A0A096N9L4_PAPAN Loading...

Cytoplasmic FMR1-interacting protein

AlphaFold DB (Q96F07), UniProt , Accession A0A096N9L4, Species PAPAN (Papio anubis, Olive baboon), Gene CYFIP2, Length 1,278 aa.

						>A0A096N9L4_PAPAN|A0A096N9L4|CYFIP2
MTTHVTLEDALSNVDLLEELPLPDQQPCIEPPPSSIMYQANFDTNFEDRNAFVTGIARYIEQATVHSSMNEMLEEGHEYAVMLYTWRSCSRAIPQVKCNEQPNRVEIYEKTVEVLEPEVTKLMKFMYFQRKAIERFCSEVKRLCHAERRKDFVSEAYLLTLGKFINMFAVLDELKNMKCSVKNDHSAYKRAAQFLRKMADPQSIQESQNLSMFLANHNRITQCLHQQLEVIPGYEELLADIVNICVDYYENKMYLTPSEKHMLLKVMGFGLYLMDGNVSNIYKLDAKKRINLSKIDKFFKQLQVVPLFGDMQIELARYIKTSAHYEENKSKWTCTQSSISPQYNICEQMVQIRDDHIRFISELARYSNSEVVTGSGLDSQKSDEEYRELFDLALRGLQLLSKWSAHVMEVYSWKLVHPTDKFCNKDCPGTAEEYERATRYNYTSEEKFAFVEVIAMIKGLQVLMGRMESVFNQAIRNTIYAALQDFAQVTLREPLRQAVRKKKNVLISVLQAIRKTICDWEGGREPPNDPCLRGEKDPKGGFDIKVPRRAVGPSSTQACQWSPRALFHPTGGTQGRRGCRSLLYMVRTMLESLIADKSGSKKTLRSSLDGPIVLAIEDFHKQSFFFTHLLNISEALQQCCDLSQLWFREFFLELTMGRRIQFPIEMSMPWILTDHILETKEPSMMEYVLYPLDLYNDSAYYALTKFKKQFLYDEIEAEVNLCFDQFVYKLADQIFAYYKAMAGSVLLDKRFRAECKNYGVIIPYPPSNRYETLLKQRHVQLLGRSIDLNRLITQRISAAMYKSLDQAISRFESEDLTSIVELEWLLEINRLTHRLLCKHMTLDSFDAMFREANHNVSAPYGRITLHVFWELNFDFLPNYCYNGSTNRFVRTAIPFTQEPQRDKPANVQPYYLYGSKPLNIAYSHIYSSYRNFVGPPHFKTICRLLGYQGIAVVMEELLKIVKSLLQGTILQYVKTLIEVMPKICRLPRHEYGSPGILEFFHHQLKDIIEYAELKTDVFQSLREVGNAILFCLLIEQALSQEEVCDLLHAAPFQNILPRVYIKEGERLEVRMKRLEAKYAPLHLVPLIERLGTPQQIAIAREGDLLTKERLCCGLSMFEVILTRIRSYLQDPIWRGPPPTNGVMHVDECVEFHRLWSAMQFVYCIPVGTNEFTAEQCFGDGLNWAGCSIIVLLGQQRRFDLFDFCYHLLKVQRQDGKDEIIKNVPLKKMADRIRKYQILNNEVFAILNKYMKSVETDSSTVEHVRCFQPPIHQSLATTC
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.2	Very low	49	Very low	230 Å²	230	124.1 Å²	124.1	100%	1.133	68%	0.678	S	S	*	*				0	102.8	0	-60.1	169.7	-169.5	0	0	104.8
2	T	35.6	Very low	49.1	Very low	122 Å²	122	119.7 Å²	119.7	75%	0.748	66%	0.663	S	S	*	*				53.2	118.7	81.1	59.8	0	0	0	0	111.6
3	T	36.8	Very low	49.5	Very low	117 Å²	117	118.9 Å²	118.9	72%	0.718	66%	0.658	S	S	*	*			cis	-177.3	162.9	-7.7	9.1	0	0	0	0	106.9
4	H	44.4	Very low	50.2	Low	174 Å²	174	116.5 Å²	116.5	81%	0.806	65%	0.647	S	S	*	*			trans	-12.6	138.4	155.2	-57.6	-77.7	0	0	0	117.4
5	V	54	Low	50.2	Low	121 Å²	121	116.8 Å²	116.8	73%	0.733	65%	0.647	S	S	*	*			cis	-119.6	-108.5	-6.6	-179.5	0	0	0	0	109.5
6	T	50.1	Low	50.3	Low	74 Å²	74	118 Å²	118	45%	0.454	65%	0.651	S	S	.	*			cis	-149.2	-176.1	31.1	51.6	0	0	0	0	113.7	E8	T6-E8 VanDerWaalsContact CB-OE2 3.28Å; T6-E8 WeakPolarHBondContact CB-OE2 3.4Å; T6-E8 PolarHBondContact O-N 3.14Å; T6-E8 PolarHBondContact OG1-OE2 2.99Å
7	L	59.6	Low	50.4	Low	131 Å²	131	119.6 Å²	119.6	69%	0.686	66%	0.658	S	S	*	*	H	α-helix	trans	-56.2	-23	-179.5	-172.2	63.1	0	0	0	114.1	A10 L11	L7-A10 WeakPolarHBondContact O-CB 3.49Å; L7-A10 PolarHBondContact O-N 3.3Å; L7-L11 HydrophobicContact CG-CD1 4.28Å; L7-L11 WeakPolarHBondContact O-CG 3.27Å; L7-L11 PolarHBondContact O-N 2.67Å; L7-L11 VanDerWaalsContact O-N 3.12Å
8	E	52.9	Low	50.1	Low	127 Å²	127	122.7 Å²	122.7	59%	0.593	67%	0.667	S	S	*	*	H	α-helix	trans	-69.8	-40.5	-179.6	-68.6	98.4	158.9	0	0	114.5	T6 A10 L11 S12	T6-E8 VanDerWaalsContact CB-OE2 3.28Å; T6-E8 WeakPolarHBondContact CB-OE2 3.4Å; T6-E8 PolarHBondContact O-N 3.14Å; T6-E8 PolarHBondContact OG1-OE2 2.99Å; E8-A10 PolarHBondContact O-N 2.81Å; E8-L11 PolarHBondContact O-N 2.82Å; E8-S12 PolarHBondContact O-N 2.78Å
9	D	49	Very low	49.5	Very low	120 Å²	120	125.2 Å²	125.2	64%	0.642	67%	0.673	S	S	*	*	H	α-helix	trans	-66.1	-26.6	173	-79.7	-24	0	0	0	111.3	L11 N13	D9-L11 VanDerWaalsContact C-N 3.34Å; D9-N13 PolarHBondContact O-N 2.71Å; D9-N13 PolarHBondContact O-ND2 3.25Å
10	A	57.1	Low	49.2	Very low	56 Å²	56	126.8 Å²	126.8	46%	0.463	68%	0.681	S	S	.	*	H	α-helix	trans	-77.2	-17.7	173.4	0	0	0	0	0	113.2	L7 E8 V14	L7-A10 WeakPolarHBondContact O-CB 3.49Å; L7-A10 PolarHBondContact O-N 3.3Å; E8-A10 PolarHBondContact O-N 2.81Å; A10-V14 VanDerWaalsContact O-CG2 3.32Å; A10-V14 WeakPolarHBondContact O-CG2 3.3Å
11	L	60.6	Low	48.7	Very low	93 Å²	93	126.4 Å²	126.4	49%	0.487	69%	0.685	S	S	.	*	H	α-helix	trans	-87	-41.6	173.5	-77.2	158.3	0	0	0	111.4	L7 E8 D9 N13 V14 D15	L7-L11 HydrophobicContact CG-CD1 4.28Å; L7-L11 WeakPolarHBondContact O-CG 3.27Å; L7-L11 PolarHBondContact O-N 2.67Å; L7-L11 VanDerWaalsContact O-N 3.12Å; E8-L11 PolarHBondContact O-N 2.82Å; D9-L11 VanDerWaalsContact C-N 3.34Å; L11-N13 PolarHBondContact O-N 3.18Å; L11-V14 WeakPolarHBondContact O-CA 3.17Å; L11-V14 WeakPolarHBondContact O-CB 3.3Å; L11-V14 PolarHBondContact O-N 2.71Å; L11-D15 PolarHBondContact O-N 2.79Å; L11-D15 VanDerWaalsContact O-N 3.16Å
12	S	51.2	Low	49	Very low	71 Å²	71	122 Å²	122	50%	0.497	67%	0.665	S	S	.	*	H	α-helix	trans	-61.4	-29.2	176.1	-159.2	0	0	0	0	112.9	E8 V14	E8-S12 PolarHBondContact O-N 2.78Å; S12-V14 VanDerWaalsContact C-N 3.35Å
13	N	54	Low	49.4	Very low	110 Å²	110	121.9 Å²	121.9	59%	0.588	67%	0.667	S	S	*	*	H	α-helix	trans	-79.5	-9.9	172.2	-76.1	-58.8	0	0	0	114.4	D9 L11 L17	D9-N13 PolarHBondContact O-N 2.71Å; D9-N13 PolarHBondContact O-ND2 3.25Å; L11-N13 PolarHBondContact O-N 3.18Å; N13-L17 WeakPolarHBondContact O-CD1 3.47Å
14	V	58.5	Low	49.4	Very low	85 Å²	85	124 Å²	124	52%	0.515	67%	0.674	S	S	.	*	H	α-helix	trans	-90.5	-38.9	174.3	169.2	0	0	0	0	110.5	A10 L11 S12 L16 L17	A10-V14 VanDerWaalsContact O-CG2 3.32Å; A10-V14 WeakPolarHBondContact O-CG2 3.3Å; L11-V14 WeakPolarHBondContact O-CA 3.17Å; L11-V14 WeakPolarHBondContact O-CB 3.3Å; L11-V14 PolarHBondContact O-N 2.71Å; S12-V14 VanDerWaalsContact C-N 3.35Å; V14-L16 PolarHBondContact O-N 3.34Å; V14-L17 PolarHBondContact O-N 2.82Å
15	D	51.5	Low	49	Very low	121 Å²	121	123.4 Å²	123.4	65%	0.647	67%	0.671	S	S	*	*	H	α-helix	trans	-63.8	-20.7	175.5	-63.6	-26.8	0	0	0	113	L11 L17	L11-D15 PolarHBondContact O-N 2.79Å; L11-D15 VanDerWaalsContact O-N 3.16Å; D15-L17 VanDerWaalsContact C-N 3.34Å
16	L	50.5	Low	48.3	Very low	136 Å²	136	124 Å²	124	71%	0.712	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	0.3	175.2	-95.9	150.2	0	0	0	114.6	V14	V14-L16 PolarHBondContact O-N 3.34Å
17	L	52.2	Low	47.9	Very low	145 Å²	145	122.6 Å²	122.6	76%	0.759	66%	0.658	S	S	*	*	S	Bend	trans	-107.8	-6.3	-177.1	-68.4	171.6	0	0	0	114.5	N13 V14 D15	N13-L17 WeakPolarHBondContact O-CD1 3.47Å; V14-L17 PolarHBondContact O-N 2.82Å; D15-L17 VanDerWaalsContact C-N 3.34Å
18	E	46.2	Very low	46.9	Very low	175 Å²	175	119 Å²	119	82%	0.818	64%	0.644	S	S	*	*	S	Bend	trans	-93.9	-8.6	-173.7	-152.5	165.7	-155.6	0	0	114.2
19	E	37.8	Very low	46.6	Very low	170 Å²	170	114 Å²	114	79%	0.794	62%	0.62	S	S	*	*			trans	-126.4	92.9	-179	-66.4	-168.4	164.1	0	0	113.7
20	L	44.2	Very low	46.3	Very low	158 Å²	158	112.6 Å²	112.6	83%	0.827	61%	0.61	S	S	*	*			trans	-178.3	116.1	142.1	-103.3	154.2	0	0	0	113.3
21	P	38.8	Very low	45.6	Very low	118 Å²	118	111.8 Å²	111.8	77%	0.766	60%	0.6	S	S	*	*			trans	-81.9	136.5	173.4	32.1	-33.1	0	0	0	112.3
22	L	44.9	Very low	44.5	Very low	137 Å²	137	111 Å²	111	72%	0.717	60%	0.601	S	S	*	*			trans	-109.3	127.4	175.4	-69.7	171.4	0	0	0	111.4
23	P	42.3	Very low	43.7	Very low	121 Å²	121	113.4 Å²	113.4	79%	0.786	62%	0.615	S	S	*	*			trans	-87.7	124.6	174.7	32.2	-31.4	0	0	0	113.1
24	D	36.8	Very low	43	Very low	162 Å²	162	111.1 Å²	111.1	87%	0.866	61%	0.608	S	S	*	*			trans	41.1	142.3	156	-134.3	-13.9	0	0	0	122.6
25	Q	36.9	Very low	42.1	Very low	160 Å²	160	112.5 Å²	112.5	75%	0.748	62%	0.621	S	S	*	*			trans	-102.1	132.1	-169.5	-62.5	175.5	-13.7	0	0	112.6
26	Q	39.1	Very low	41.4	Very low	134 Å²	134	113.6 Å²	113.6	63%	0.626	63%	0.625	S	S	*	*			trans	-149	118.5	158.9	-161.6	153.3	56.8	0	0	111.9
27	P	42.2	Very low	41.1	Very low	44 Å²	44	111.8 Å²	111.8	29%	0.286	61%	0.614	S	S	.	*			trans	-69.1	143.1	176.6	27.5	-32.9	0	0	0	111.3	I29	P27-I29 PolarHBondContact O-N 3.47Å
28	C	39.1	Very low	40.4	Very low	56 Å²	56	114.8 Å²	114.8	38%	0.378	62%	0.617	S	S	.	*			trans	-85.3	112.7	174.7	-159	0	0	0	0	109.5	R466 Y690	C28-R466 PolarHBondContact SG-NH1 2.92Å; C28-Y690 PolarHBondContact O-OH 3.36Å
29	I	46.5	Very low	40.4	Very low	21 Å²	21	110.1 Å²	110.1	11%	0.108	60%	0.595	C	S	.	*			trans	-93.1	0.7	-168.5	-64	163.4	0	0	0	112.5	P27 P31 L689 T772	P27-I29 PolarHBondContact O-N 3.47Å; I29-P31 WeakPolarHBondContact O-CD 3.18Å; I29-L689 HydrophobicContact CG2-CD1 3.99Å; I29-T772 HydrophobicContact CD1-CG2 3.86Å
30	E	41.7	Very low	40.5	Very low	91 Å²	91	104.1 Å²	104.1	43%	0.425	58%	0.575	S	S	.	*			trans	-87.5	111.5	-178.3	-71.5	-177.5	158.3	0	0	112.9	V462 R466 H778	E30-V462 WeakPolarHBondContact O-CG1 3.18Å; E30-R466 IonicContact OE2-NH2 3.09Å; E30-H778 IonicContact OE1-CE1 3.21Å; E30-H778 PolarHBondContact OE1-CE1 2.77Å; E30-H778 VanDerWaalsContact OE1-CE1 3.31Å; E30-H778 IonicContact OE1-NE2 3.64Å
31	P	41.7	Very low	40.7	Very low	39 Å²	39	101.6 Å²	101.6	25%	0.253	56%	0.562	S	S	.	*			trans	-64.7	161.3	167.2	29.9	-35.6	0	0	0	110.8	I29 Q780	I29-P31 WeakPolarHBondContact O-CD 3.18Å; P31-Q780 HydrophobicContact CG-CB 4.03Å; P31-Q780 HydrophobicContact CG-CG 4.09Å
32	P	38.3	Very low	41.2	Very low	77 Å²	77	100.1 Å²	100.1	50%	0.5	54%	0.544	S	S	.	.			trans	-64.9	129.3	-177.6	-16.5	32.1	0	0	0	110.4	S34 V462	P32-S34 PolarHBondContact O-N 3.03Å; P32-V462 HydrophobicContact CG-CG2 4.37Å
33	P	35.6	Very low	41.6	Very low	121 Å²	121	96 Å²	96	79%	0.786	52%	0.522	S	S	*	.			trans	-71.8	93.1	174.7	29.1	-33.1	0	0	0	108.9
34	S	38.7	Very low	42.2	Very low	63 Å²	63	90.5 Å²	90.5	44%	0.441	49%	0.487	S	S	.	.			trans	-142.8	70.1	-177.8	-66.8	0	0	0	0	111	P32 I36	P32-S34 PolarHBondContact O-N 3.03Å; S34-I36 PolarHBondContact O-N 3Å; S34-I36 VanDerWaalsContact O-N 3.13Å
35	S	38.6	Very low	43.5	Very low	114 Å²	114	84.4 Å²	84.4	80%	0.797	45%	0.454	S	S	*	.	S	Bend	trans	-58.9	-15.3	166.9	45.8	0	0	0	0	113.2
36	I	37.5	Very low	44.7	Very low	144 Å²	144	77.6 Å²	77.6	74%	0.738	42%	0.422	S	S	*	.	S	Bend	trans	-137.1	109	167	-55.3	176.6	0	0	0	108.2	S34 Y38	S34-I36 PolarHBondContact O-N 3Å; S34-I36 VanDerWaalsContact O-N 3.13Å; I36-Y38 PolarHBondContact O-N 2.94Å
37	M	43.6	Very low	45.6	Very low	98 Å²	98	76.4 Å²	76.4	48%	0.483	42%	0.417	S	S	.	.			trans	-82.6	106.6	167.1	-73.4	-159.8	71.8	0	0	110.1	Q39 Q637	M37-Q39 PolarHBondContact O-N 2.69Å; M37-Q637 PolarHBondContact SD-NE2 2.64Å
38	Y	37.4	Very low	46.5	Very low	207 Å²	207	75.7 Å²	75.7	81%	0.812	41%	0.41	S	S	*	.			trans	-84.7	102	170.8	-175.4	-96.4	0	0	0	110.3	I36 A40	I36-Y38 PolarHBondContact O-N 2.94Å; Y38-A40 HydrophobicContact CE1-CB 4.17Å
39	Q	46.7	Very low	47.6	Very low	77 Å²	77	75.1 Å²	75.1	36%	0.36	40%	0.4	S	S	.	.			trans	-97.4	110.5	178.1	-133	169.1	10.1	0	0	110.3	M37 N41	M37-Q39 PolarHBondContact O-N 2.69Å; Q39-N41 PolarHBondContact O-N 3.03Å
40	A	39.2	Very low	48.5	Very low	44 Å²	44	79.7 Å²	79.7	36%	0.364	43%	0.425	S	S	.	.			trans	-82.3	94	173	0	0	0	0	0	109.8	Y38 F42	Y38-A40 HydrophobicContact CE1-CB 4.17Å; A40-F42 HydrophobicContact CB-CD2 4.42Å; A40-F42 HydrophobicContact CB-CE1 4.44Å; A40-F42 HydrophobicContact CB-CE2 3.68Å; A40-F42 HydrophobicContact CB-CZ 3.7Å; A40-F42 VanDerWaalsContact O-CD2 3.26Å; A40-F42 WeakPolarHBondContact O-CD2 3.48Å; A40-F42 WeakPolarHBondContact O-CE2 3.03Å; A40-F42 PolarHBondContact O-N 3.48Å
41	N	48.4	Very low	49.1	Very low	105 Å²	105	78.7 Å²	78.7	56%	0.561	43%	0.432	S	S	*	.			trans	-74.9	115.1	172.4	-174.3	-5.5	0	0	0	110.1	Q39 D43	Q39-N41 PolarHBondContact O-N 3.03Å; N41-D43 VanDerWaalsContact OD1-CB 3.29Å; N41-D43 WeakPolarHBondContact OD1-CB 3.04Å; N41-D43 PolarHBondContact OD1-N 3.02Å
42	F	49.2	Very low	49.8	Very low	87 Å²	87	78 Å²	78	38%	0.382	43%	0.425	S	S	.	.			trans	-98.8	12.7	177.9	-62.3	-73.5	0	0	0	113.9	A40 G578 C579	A40-F42 HydrophobicContact CB-CD2 4.42Å; A40-F42 HydrophobicContact CB-CE1 4.44Å; A40-F42 HydrophobicContact CB-CE2 3.68Å; A40-F42 HydrophobicContact CB-CZ 3.7Å; A40-F42 VanDerWaalsContact O-CD2 3.26Å; A40-F42 WeakPolarHBondContact O-CD2 3.48Å; A40-F42 WeakPolarHBondContact O-CE2 3.03Å; A40-F42 PolarHBondContact O-N 3.48Å; F42-G578 CarbonylContact O-C 3.49Å; F42-G578 WeakPolarHBondContact O-CA 3.28Å; F42-C579 PolarHBondContact O-N 3.28Å
43	D	55.3	Low	50.4	Low	51 Å²	51	80 Å²	80	27%	0.273	44%	0.436	S	S	.	.			trans	-76.1	128.4	171.6	-162.3	-8.6	0	0	0	111.5	N41 N45 R580	N41-D43 VanDerWaalsContact OD1-CB 3.29Å; N41-D43 WeakPolarHBondContact OD1-CB 3.04Å; N41-D43 PolarHBondContact OD1-N 3.02Å; D43-N45 PolarHBondContact OD1-N 3.21Å; D43-R580 VanDerWaalsContact CG-CD 3.48Å; D43-R580 WeakPolarHBondContact OD1-CD 3.44Å; D43-R580 WeakPolarHBondContact OD2-CD 3.32Å; D43-R580 IonicContact OD2-CZ 3Å; D43-R580 IonicContact OD2-NE 3.71Å; D43-R580 PolarHBondContact OD2-NE 3.06Å; D43-R580 IonicContact OD2-NH1 3.64Å; D43-R580 PolarHBondContact OD2-NH1 3.46Å
44	T	54.9	Low	51.2	Low	6 Å²	6	78.2 Å²	78.2	4%	0.037	42%	0.423	C	S	.	.			trans	-102.7	-2.4	175.6	38.4	0	0	0	0	113.6	F46 E47 D48 R577	T44-F46 PolarHBondContact O-N 2.82Å; T44-E47 WeakPolarHBondContact O-CB 3.26Å; T44-E47 VanDerWaalsContact O-CG 3.22Å; T44-E47 WeakPolarHBondContact O-CG 3.32Å; T44-E47 PolarHBondContact O-N 3.27Å; T44-D48 WeakPolarHBondContact CB-OD1 3.3Å; T44-D48 PolarHBondContact OG1-OD1 2.93Å; T44-R577 HydrophobicContact CG2-CB 3.54Å; T44-R577 HydrophobicContact CG2-CG 4.45Å
45	N	64.1	Low	52	Low	34 Å²	34	76 Å²	76	18%	0.182	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.4	39.6	-170.9	-170.2	40	0	0	0	113.1	D43 E47 S67 N70 E71	D43-N45 PolarHBondContact OD1-N 3.21Å; N45-E47 PolarHBondContact O-N 2.97Å; N45-S67 PolarHBondContact ND2-O 2.85Å; N45-S67 PolarHBondContact ND2-OG 3.49Å; N45-S67 WeakPolarHBondContact O-CB 3.49Å; N45-S67 PolarHBondContact O-OG 2.79Å; N45-N70 PolarHBondContact OD1-ND2 3.07Å; N45-E71 PolarHBondContact ND2-OE1 3.44Å
46	F	61.6	Low	53.1	Low	17 Å²	17	73.4 Å²	73.4	8%	0.075	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	23.2	-176.8	-39	-62	0	0	0	116.3	T44 D48 R49 A63 H66 S581 Y584	T44-F46 PolarHBondContact O-N 2.82Å; F46-D48 VanDerWaalsContact C-N 3.31Å; F46-D48 PolarHBondContact O-N 3.26Å; F46-R49 HydrophobicContact CB-CB 4.49Å; F46-R49 VanDerWaalsContact O-CB 3.26Å; F46-R49 WeakPolarHBondContact O-CB 3.48Å; F46-R49 WeakPolarHBondContact O-CD 3.47Å; F46-R49 WeakPolarHBondContact O-CG 3.47Å; F46-R49 PolarHBondContact O-N 2.89Å; F46-R49 PolarHBondContact O-NH1 3.32Å; F46-A63 HydrophobicContact CB-CB 4.43Å; F46-A63 HydrophobicContact CG-CB 4.41Å; F46-H66 HydrophobicContact CE2-CB 4.36Å; F46-S581 WeakPolarHBondContact CA-OG 3.28Å; F46-Y584 HydrophobicContact CD1-CD1 4.22Å; F46-Y584 HydrophobicContact CD1-CG 4.21Å; F46-Y584 AromaticContact CE1-CD1 3.82Å; F46-Y584 HydrophobicContact CE1-CD1 3.82Å; F46-Y584 AromaticContact CE1-CD2 3.73Å; F46-Y584 HydrophobicContact CE1-CD2 3.73Å; F46-Y584 HydrophobicContact CE1-CE1 4.48Å; F46-Y584 HydrophobicContact CE1-CE2 4.4Å; F46-Y584 AromaticContact CE1-CG 3.39Å; F46-Y584 HydrophobicContact CE1-CG 3.39Å; F46-Y584 HydrophobicContact CZ-CD1 4.22Å; F46-Y584 AromaticContact CZ-CD2 3.59Å; F46-Y584 HydrophobicContact CZ-CD2 3.59Å; F46-Y584 AromaticContact CZ-CE2 3.91Å; F46-Y584 HydrophobicContact CZ-CE2 3.91Å; F46-Y584 AromaticContact CZ-CG 3.76Å; F46-Y584 HydrophobicContact CZ-CG 3.76Å
47	E	58.6	Low	54.4	Low	109 Å²	109	70 Å²	70	51%	0.509	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-56.3	-42.3	173	-80.4	173.7	166.6	0	0	112.7	T44 N45 R49 R577	T44-E47 WeakPolarHBondContact O-CB 3.26Å; T44-E47 VanDerWaalsContact O-CG 3.22Å; T44-E47 WeakPolarHBondContact O-CG 3.32Å; T44-E47 PolarHBondContact O-N 3.27Å; N45-E47 PolarHBondContact O-N 2.97Å; E47-R49 PolarHBondContact O-N 3.35Å; E47-R577 IonicContact OE1-NH1 3.91Å; E47-R577 PolarHBondContact OE1-NH1 3.45Å; E47-R577 IonicContact OE2-CZ 3.09Å; E47-R577 IonicContact OE2-NH1 3.37Å; E47-R577 PolarHBondContact OE2-NH1 3.11Å
48	D	60.8	Low	55.8	Low	28 Å²	28	69.1 Å²	69.1	15%	0.15	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-77	2	-177.5	59.9	-53.9	0	0	0	114.1	T44 F46 N50 A51 F52 S581	T44-D48 WeakPolarHBondContact CB-OD1 3.3Å; T44-D48 PolarHBondContact OG1-OD1 2.93Å; F46-D48 VanDerWaalsContact C-N 3.31Å; F46-D48 PolarHBondContact O-N 3.26Å; D48-N50 PolarHBondContact O-N 3.5Å; D48-A51 WeakPolarHBondContact O-CB 3.22Å; D48-A51 PolarHBondContact O-N 2.83Å; D48-F52 WeakPolarHBondContact O-CE2 3.44Å; D48-F52 WeakPolarHBondContact OD2-CE2 3.44Å; D48-S581 VanDerWaalsContact CG-OG 3.25Å; D48-S581 WeakPolarHBondContact OD1-CB 3.49Å; D48-S581 PolarHBondContact OD1-OG 3.2Å; D48-S581 VanDerWaalsContact OD2-CB 3.29Å; D48-S581 WeakPolarHBondContact OD2-CB 3.4Å; D48-S581 PolarHBondContact OD2-OG 3.17Å
49	R	62.5	Low	57.6	Low	45 Å²	45	59.9 Å²	59.9	17%	0.17	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-50.9	-32.1	179.6	67	-169.9	167.5	-116.3	7.3	114.3	F46 E47 A51 F52 I60 T64 S67	F46-R49 HydrophobicContact CB-CB 4.49Å; F46-R49 VanDerWaalsContact O-CB 3.26Å; F46-R49 WeakPolarHBondContact O-CB 3.48Å; F46-R49 WeakPolarHBondContact O-CD 3.47Å; F46-R49 WeakPolarHBondContact O-CG 3.47Å; F46-R49 PolarHBondContact O-N 2.89Å; F46-R49 PolarHBondContact O-NH1 3.32Å; E47-R49 PolarHBondContact O-N 3.35Å; R49-A51 PolarHBondContact O-N 3.45Å; R49-F52 PolarHBondContact O-N 3.06Å; R49-I60 HydrophobicContact CB-CG2 4.4Å; R49-I60 HydrophobicContact CG-CG2 4.24Å; R49-T64 WeakPolarHBondContact CD-OG1 3.24Å; R49-T64 PolarHBondContact NE-OG1 3.33Å; R49-S67 VanDerWaalsContact NH1-CB 3.34Å; R49-S67 PolarHBondContact NH1-OG 3.45Å; R49-S67 VanDerWaalsContact NH1-OG 3.13Å
50	N	64.7	Low	58.9	Low	116 Å²	116	57.6 Å²	57.6	62%	0.62	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-70.5	-12.4	-179.8	-68.1	-18	0	0	0	113.6	D48 F52 V53	D48-N50 PolarHBondContact O-N 3.5Å; N50-F52 VanDerWaalsContact C-N 3.33Å; N50-V53 WeakPolarHBondContact O-CG2 3.48Å
51	A	54.8	Low	60.5	Low	71 Å²	71	61.6 Å²	61.6	59%	0.587	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-74.8	-22.9	173.5	0	0	0	0	0	112.7	D48 R49 V53	D48-A51 WeakPolarHBondContact O-CB 3.22Å; D48-A51 PolarHBondContact O-N 2.83Å; R49-A51 PolarHBondContact O-N 3.45Å; A51-V53 PolarHBondContact O-N 2.62Å
52	F	56	Low	61.8	Low	23 Å²	23	57.6 Å²	57.6	10%	0.101	31%	0.313	C	S	.	.			trans	-98	43	-170.7	-49.4	-65.3	0	0	0	113	D48 R49 N50 T54 G55 T516 L582	D48-F52 WeakPolarHBondContact O-CE2 3.44Å; D48-F52 WeakPolarHBondContact OD2-CE2 3.44Å; R49-F52 PolarHBondContact O-N 3.06Å; N50-F52 VanDerWaalsContact C-N 3.33Å; F52-T54 PolarHBondContact O-N 3.07Å; F52-G55 PolarHBondContact O-N 3.14Å; F52-T516 HydrophobicContact CD1-CG2 4.38Å; F52-L582 HydrophobicContact CD1-CD2 3.77Å; F52-L582 HydrophobicContact CE1-CD1 4.41Å; F52-L582 HydrophobicContact CE1-CD2 3.27Å; F52-L582 HydrophobicContact CE1-CG 3.79Å; F52-L582 HydrophobicContact CE2-CD2 4.45Å; F52-L582 HydrophobicContact CE2-CG 4.39Å; F52-L582 HydrophobicContact CZ-CD1 4.34Å; F52-L582 HydrophobicContact CZ-CD2 3.67Å; F52-L582 HydrophobicContact CZ-CG 3.65Å
53	V	51.3	Low	63.1	Low	119 Å²	119	53.5 Å²	53.5	72%	0.721	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-7.1	-174	-165.7	0	0	0	0	114	N50 A51 G55	N50-V53 WeakPolarHBondContact O-CG2 3.48Å; A51-V53 PolarHBondContact O-N 2.62Å; V53-G55 VanDerWaalsContact C-N 3.35Å
54	T	52.1	Low	64.3	Low	85 Å²	85	53.7 Å²	53.7	52%	0.521	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-5.5	-179	52.5	0	0	0	0	114.5	F52	F52-T54 PolarHBondContact O-N 3.07Å
55	G	54.1	Low	65.7	Low	15 Å²	15	54.8 Å²	54.8	16%	0.155	31%	0.306	C	S	.	.	S	Bend	trans	-100	164.6	-179.6	0	0	0	0	0	115.5	F52 V53 A57	F52-G55 PolarHBondContact O-N 3.14Å; V53-G55 VanDerWaalsContact C-N 3.35Å; G55-A57 PolarHBondContact O-N 3.02Å
56	I	61.5	Low	66.6	Low	61 Å²	61	53.6 Å²	53.6	31%	0.313	30%	0.299	S	S	.	.			trans	-62	118.2	-179.7	-57.1	173.3	0	0	0	110	R58 Y59 V509	I56-R58 HydrophobicContact CG2-CB 4.18Å; I56-R58 PolarHBondContact O-N 3.28Å; I56-Y59 HydrophobicContact CB-CD2 4.04Å; I56-Y59 HydrophobicContact CB-CE2 4.14Å; I56-Y59 HydrophobicContact CD1-CE2 4.24Å; I56-Y59 PolarHBondContact O-N 2.96Å; I56-V509 HydrophobicContact CD1-CG2 3.69Å
57	A	64.8	Low	67.5	Low	72 Å²	72	53 Å²	53	60%	0.595	30%	0.297	S	S	*	.	H	α-helix	trans	-50.2	-31.3	-171	0	0	0	0	0	115.3	G55 Y59 I60 E61	G55-A57 PolarHBondContact O-N 3.02Å; A57-Y59 VanDerWaalsContact C-N 3.26Å; A57-Y59 PolarHBondContact O-N 3.28Å; A57-I60 PolarHBondContact O-N 2.99Å; A57-I60 VanDerWaalsContact O-N 3.1Å; A57-E61 PolarHBondContact O-N 2.98Å
58	R	73.6	Confident	68.8	Low	80 Å²	80	49.6 Å²	49.6	30%	0.302	29%	0.285	S	S	.	.	H	α-helix	trans	-47.9	-42.3	172.6	174.6	-177.9	169.6	151.5	0.9	113.4	I56 Q62 D151 F152	I56-R58 HydrophobicContact CG2-CB 4.18Å; I56-R58 PolarHBondContact O-N 3.28Å; R58-Q62 WeakPolarHBondContact O-CB 3.35Å; R58-Q62 PolarHBondContact O-N 2.96Å; R58-D151 IonicContact CZ-OD1 2.67Å; R58-D151 IonicContact NH1-OD1 3.45Å; R58-D151 PolarHBondContact NH1-OD1 2.94Å; R58-D151 IonicContact NH1-OD2 3.74Å; R58-D151 IonicContact NH2-OD1 3.74Å; R58-D151 PolarHBondContact NH2-OD1 3.37Å; R58-F152 PolarHBondContact NH2-O 3.15Å
59	Y	74.9	Confident	70.1	Confident	13 Å²	13	48.3 Å²	48.3	5%	0.051	28%	0.278	C	S	.	.	H	α-helix	trans	-74.1	-32.6	-177.5	-62	-54.7	0	0	0	112.3	I56 A57 Q62 A63 F152 T588 M589 S592	I56-Y59 HydrophobicContact CB-CD2 4.04Å; I56-Y59 HydrophobicContact CB-CE2 4.14Å; I56-Y59 HydrophobicContact CD1-CE2 4.24Å; I56-Y59 PolarHBondContact O-N 2.96Å; A57-Y59 VanDerWaalsContact C-N 3.26Å; A57-Y59 PolarHBondContact O-N 3.28Å; Y59-Q62 PolarHBondContact O-N 3.42Å; Y59-A63 WeakPolarHBondContact O-CB 3.25Å; Y59-A63 PolarHBondContact O-N 2.81Å; Y59-F152 HydrophobicContact CE1-CD1 4.45Å; Y59-F152 HydrophobicContact CE1-CE1 4.32Å; Y59-T588 HydrophobicContact CD1-CG2 3.73Å; Y59-T588 HydrophobicContact CE1-CG2 4.07Å; Y59-M589 HydrophobicContact CD2-CG 3.7Å; Y59-M589 HydrophobicContact CD2-SD 4.29Å; Y59-M589 HydrophobicContact CE2-CG 3.65Å; Y59-M589 HydrophobicContact CE2-SD 4.43Å; Y59-M589 HydrophobicContact CG-CG 4.37Å; Y59-S592 VanDerWaalsContact OH-CB 3.24Å; Y59-S592 WeakPolarHBondContact OH-CB 3.37Å; Y59-S592 PolarHBondContact OH-OG 2.89Å
60	I	73.9	Confident	71.3	Confident	29 Å²	29	47.7 Å²	47.7	15%	0.149	28%	0.278	C	S	.	.	H	α-helix	trans	-71.2	-39.8	175.5	-55.8	175.9	0	0	0	110.3	R49 A57 A63 T64 M585	R49-I60 HydrophobicContact CB-CG2 4.4Å; R49-I60 HydrophobicContact CG-CG2 4.24Å; A57-I60 PolarHBondContact O-N 2.99Å; A57-I60 VanDerWaalsContact O-N 3.1Å; I60-A63 PolarHBondContact O-N 3.34Å; I60-T64 WeakPolarHBondContact O-CB 3.45Å; I60-T64 PolarHBondContact O-N 3.37Å; I60-T64 PolarHBondContact O-OG1 3.01Å; I60-M585 HydrophobicContact CG1-CE 3.95Å
61	E	74.5	Confident	72.6	Confident	127 Å²	127	47.5 Å²	47.5	59%	0.593	27%	0.274	S	S	*	.	H	α-helix	trans	-61.1	-47.8	171.6	-171.9	-175.5	-179.1	0	0	110.8	A57 A63 T64 V65	A57-E61 PolarHBondContact O-N 2.98Å; E61-A63 PolarHBondContact O-N 3.09Å; E61-T64 WeakPolarHBondContact O-CB 3.3Å; E61-T64 PolarHBondContact O-N 3Å; E61-T64 VanDerWaalsContact O-N 3.1Å; E61-V65 WeakPolarHBondContact O-CG2 3.38Å; E61-V65 PolarHBondContact O-N 2.87Å
62	Q	75.6	Confident	74.4	Confident	21 Å²	21	44.7 Å²	44.7	10%	0.098	25%	0.249	C	C	.	.	H	α-helix	trans	-61.2	-42.2	176.1	-173.5	175	-12.4	0	0	112.2	R58 Y59 T64 V65 H66 S154	R58-Q62 WeakPolarHBondContact O-CB 3.35Å; R58-Q62 PolarHBondContact O-N 2.96Å; Y59-Q62 PolarHBondContact O-N 3.42Å; Q62-T64 VanDerWaalsContact C-N 3.31Å; Q62-T64 PolarHBondContact O-N 2.91Å; Q62-V65 PolarHBondContact O-N 3.34Å; Q62-H66 VanDerWaalsContact O-CB 3.24Å; Q62-H66 WeakPolarHBondContact O-CB 3.31Å; Q62-H66 PolarHBondContact O-N 3.33Å; Q62-S154 PolarHBondContact NE2-OG 3.29Å
63	A	76.2	Confident	76.2	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-63.1	-35.6	173.1	0	0	0	0	0	112.5	F46 Y59 I60 E61 H66 S67 Y584	F46-A63 HydrophobicContact CB-CB 4.43Å; F46-A63 HydrophobicContact CG-CB 4.41Å; Y59-A63 WeakPolarHBondContact O-CB 3.25Å; Y59-A63 PolarHBondContact O-N 2.81Å; I60-A63 PolarHBondContact O-N 3.34Å; E61-A63 PolarHBondContact O-N 3.09Å; A63-H66 PolarHBondContact O-N 3.29Å; A63-S67 WeakPolarHBondContact O-CB 3.43Å; A63-S67 PolarHBondContact O-N 3.28Å; A63-Y584 HydrophobicContact CB-CD1 4.39Å; A63-Y584 HydrophobicContact CB-CE1 3.85Å
64	T	80.1	Confident	78	Confident	55 Å²	55	45.1 Å²	45.1	34%	0.337	24%	0.243	S	C	.	.	H	α-helix	trans	-65.9	-46	176.4	-60.9	0	0	0	0	111.6	R49 I60 E61 Q62 S68	R49-T64 WeakPolarHBondContact CD-OG1 3.24Å; R49-T64 PolarHBondContact NE-OG1 3.33Å; I60-T64 WeakPolarHBondContact O-CB 3.45Å; I60-T64 PolarHBondContact O-N 3.37Å; I60-T64 PolarHBondContact O-OG1 3.01Å; E61-T64 WeakPolarHBondContact O-CB 3.3Å; E61-T64 PolarHBondContact O-N 3Å; E61-T64 VanDerWaalsContact O-N 3.1Å; Q62-T64 VanDerWaalsContact C-N 3.31Å; Q62-T64 PolarHBondContact O-N 2.91Å; T64-S68 PolarHBondContact O-N 2.83Å
65	V	83.1	Confident	80	Confident	30 Å²	30	44.1 Å²	44.1	18%	0.182	23%	0.233	C	C	.	.	H	α-helix	trans	-68	-40.2	176.2	-174.5	0	0	0	0	110.5	E61 Q62 S68 M69 Y157	E61-V65 WeakPolarHBondContact O-CG2 3.38Å; E61-V65 PolarHBondContact O-N 2.87Å; Q62-V65 PolarHBondContact O-N 3.34Å; V65-S68 PolarHBondContact O-N 2.85Å; V65-M69 HydrophobicContact CG1-CG 4.29Å; V65-M69 WeakPolarHBondContact O-CG 3.33Å; V65-M69 PolarHBondContact O-N 3.11Å; V65-Y157 VanDerWaalsContact CG1-OH 3.27Å; V65-Y157 WeakPolarHBondContact CG1-OH 3.4Å
66	H	83.4	Confident	82	Confident	8 Å²	8	43.5 Å²	43.5	4%	0.037	23%	0.226	C	C	.	.	H	α-helix	trans	-60.1	-48.4	176.3	-166.2	169.9	0	0	0	112	F46 Q62 A63 S68 M69 N70 A156 Y157 T160 Y584	F46-H66 HydrophobicContact CE2-CB 4.36Å; Q62-H66 VanDerWaalsContact O-CB 3.24Å; Q62-H66 WeakPolarHBondContact O-CB 3.31Å; Q62-H66 PolarHBondContact O-N 3.33Å; A63-H66 PolarHBondContact O-N 3.29Å; H66-S68 PolarHBondContact O-N 3.21Å; H66-M69 PolarHBondContact O-N 2.72Å; H66-M69 VanDerWaalsContact O-N 3.07Å; H66-N70 PolarHBondContact CD2-ND2 3.21Å; H66-N70 PolarHBondContact CD2-OD1 3.27Å; H66-N70 PolarHBondContact O-N 3.13Å; H66-A156 PolarHBondContact CE1-O 2.88Å; H66-Y157 HydrophobicContact CB-CD2 3.83Å; H66-Y157 HydrophobicContact CB-CE2 4.06Å; H66-Y157 AromaticContact CD2-CD2 3.97Å; H66-Y157 AromaticContact CG-CD2 3.69Å; H66-T160 PolarHBondContact NE2-OG1 3.29Å; H66-Y584 AromaticContact CE1-CE2 3.79Å; H66-Y584 AromaticContact ND1-CE2 3.46Å; H66-Y584 WeakPolarHBondContact ND1-CE2 3.36Å; H66-Y584 AromaticContact ND1-CZ 3.53Å; H66-Y584 PolarHBondContact ND1-OH 2.86Å
67	S	80.3	Confident	83.5	Confident	5 Å²	5	43.9 Å²	43.9	4%	0.035	23%	0.227	C	C	.	.	H	α-helix	trans	-49.7	-52.9	172.7	169.1	0	0	0	0	112.2	N45 R49 A63 M69 N70 E71	N45-S67 PolarHBondContact ND2-O 2.85Å; N45-S67 PolarHBondContact ND2-OG 3.49Å; N45-S67 WeakPolarHBondContact O-CB 3.49Å; N45-S67 PolarHBondContact O-OG 2.79Å; R49-S67 VanDerWaalsContact NH1-CB 3.34Å; R49-S67 PolarHBondContact NH1-OG 3.45Å; R49-S67 VanDerWaalsContact NH1-OG 3.13Å; A63-S67 WeakPolarHBondContact O-CB 3.43Å; A63-S67 PolarHBondContact O-N 3.28Å; S67-M69 VanDerWaalsContact C-N 3.29Å; S67-M69 PolarHBondContact O-N 2.85Å; S67-N70 PolarHBondContact O-N 2.73Å; S67-E71 PolarHBondContact O-N 2.88Å
68	S	86.2	Confident	84.9	Confident	38 Å²	38	46 Å²	46	27%	0.266	22%	0.224	S	C	.	.	H	α-helix	trans	-66.6	-25.5	179	173	0	0	0	0	113.9	T64 V65 H66 R135	T64-S68 PolarHBondContact O-N 2.83Å; V65-S68 PolarHBondContact O-N 2.85Å; H66-S68 PolarHBondContact O-N 3.21Å; S68-R135 PolarHBondContact OG-NH2 3.47Å
69	M	89.4	Confident	86	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-78.4	-37.9	174.8	-70.1	-70.4	-78.3	0	0	111.2	V65 H66 S67 M72 L73 R135 Y157 T160 L161 F164	V65-M69 HydrophobicContact CG1-CG 4.29Å; V65-M69 WeakPolarHBondContact O-CG 3.33Å; V65-M69 PolarHBondContact O-N 3.11Å; H66-M69 PolarHBondContact O-N 2.72Å; H66-M69 VanDerWaalsContact O-N 3.07Å; S67-M69 VanDerWaalsContact C-N 3.29Å; S67-M69 PolarHBondContact O-N 2.85Å; M69-M72 PolarHBondContact O-N 2.84Å; M69-L73 PolarHBondContact O-N 3.26Å; M69-R135 HydrophobicContact SD-CG 3.88Å; M69-Y157 HydrophobicContact CG-CE2 4.34Å; M69-T160 HydrophobicContact CB-CG2 4.17Å; M69-L161 HydrophobicContact CE-CD2 3.82Å; M69-F164 HydrophobicContact CB-CE2 3.81Å; M69-F164 HydrophobicContact CB-CZ 4.14Å; M69-F164 HydrophobicContact CE-CD1 4.29Å; M69-F164 HydrophobicContact CE-CD2 3.92Å; M69-F164 HydrophobicContact CE-CE1 3.92Å; M69-F164 HydrophobicContact CE-CE2 3.54Å; M69-F164 HydrophobicContact CE-CG 4.28Å; M69-F164 HydrophobicContact CE-CZ 3.52Å; M69-F164 WeakPolarHBondContact O-CE2 3.46Å; M69-F164 VanDerWaalsContact O-CZ 3.31Å; M69-F164 WeakPolarHBondContact O-CZ 3.28Å; M69-F164 HydrophobicContact SD-CE1 4.42Å; M69-F164 HydrophobicContact SD-CE2 4.17Å; M69-F164 HydrophobicContact SD-CZ 3.8Å
70	N	87.7	Confident	87	Confident	32 Å²	32	43.2 Å²	43.2	17%	0.171	21%	0.214	C	C	.	.	H	α-helix	trans	-63.2	-42.4	176.4	-69.3	-20.7	0	0	0	112.2	N45 H66 S67 M72 L73 E74 T160	N45-N70 PolarHBondContact OD1-ND2 3.07Å; H66-N70 PolarHBondContact CD2-ND2 3.21Å; H66-N70 PolarHBondContact CD2-OD1 3.27Å; H66-N70 PolarHBondContact O-N 3.13Å; S67-N70 PolarHBondContact O-N 2.73Å; N70-M72 PolarHBondContact O-N 3.23Å; N70-L73 WeakPolarHBondContact O-CB 3.37Å; N70-L73 PolarHBondContact O-N 3.13Å; N70-E74 PolarHBondContact O-N 3.08Å; N70-E74 VanDerWaalsContact O-N 3.1Å; N70-T160 WeakPolarHBondContact OD1-CG2 3.41Å; N70-T160 PolarHBondContact OD1-OG1 3.11Å
71	E	90.2	Very high	88.1	Confident	112 Å²	112	42.2 Å²	42.2	52%	0.523	21%	0.21	S	C	.	.	H	α-helix	trans	-54.7	-37.2	175.1	-72.5	163.6	-169.5	0	0	112.6	N45 S67 E74 E75	N45-E71 PolarHBondContact ND2-OE1 3.44Å; S67-E71 PolarHBondContact O-N 2.88Å; E71-E74 PolarHBondContact O-N 3.14Å; E71-E75 PolarHBondContact O-N 3.49Å
72	M	93.9	Very high	89.1	Confident	13 Å²	13	37.3 Å²	37.3	6%	0.064	19%	0.187	C	C	.	.	H	α-helix	trans	-77.3	-23.5	178.7	-177.5	174.8	-72.3	0	0	112.9	M69 N70 G76 F128 K131 A132 R135 F164	M69-M72 PolarHBondContact O-N 2.84Å; N70-M72 PolarHBondContact O-N 3.23Å; M72-G76 PolarHBondContact O-N 3.02Å; M72-F128 HydrophobicContact CG-CE2 3.82Å; M72-F128 HydrophobicContact CG-CZ 4.17Å; M72-F128 WeakPolarHBondContact O-CZ 3.32Å; M72-K131 HydrophobicContact CE-CD 4.37Å; M72-K131 HydrophobicContact CE-CG 4.27Å; M72-A132 HydrophobicContact CG-CB 4.34Å; M72-A132 HydrophobicContact SD-CB 3.87Å; M72-R135 HydrophobicContact CE-CB 4.36Å; M72-R135 HydrophobicContact CE-CG 4.32Å; M72-R135 HydrophobicContact SD-CB 4.23Å; M72-R135 HydrophobicContact SD-CG 4.26Å; M72-F164 HydrophobicContact CB-CE1 4.47Å; M72-F164 HydrophobicContact CB-CZ 3.95Å; M72-F164 HydrophobicContact CG-CE1 3.98Å; M72-F164 HydrophobicContact CG-CZ 3.97Å; M72-F164 HydrophobicContact SD-CE1 3.77Å; M72-F164 HydrophobicContact SD-CZ 4.03Å
73	L	92.4	Very high	90.1	Very high	20 Å²	20	36.3 Å²	36.3	11%	0.105	18%	0.183	C	C	.	.	H	α-helix	trans	-70.2	-41.4	168.3	-71.3	173	0	0	0	111.5	M69 N70 G76 H77 T160 K163 F164 M167	M69-L73 PolarHBondContact O-N 3.26Å; N70-L73 WeakPolarHBondContact O-CB 3.37Å; N70-L73 PolarHBondContact O-N 3.13Å; L73-G76 CarbonylContact O-C 3.55Å; L73-G76 PolarHBondContact O-N 3.4Å; L73-H77 PolarHBondContact O-N 2.7Å; L73-T160 HydrophobicContact CD1-CG2 3.98Å; L73-K163 HydrophobicContact CD1-CB 3.64Å; L73-K163 HydrophobicContact CD1-CD 4.02Å; L73-K163 HydrophobicContact CD1-CG 4.5Å; L73-K163 HydrophobicContact CD2-CB 3.99Å; L73-F164 HydrophobicContact CD1-CD2 4.12Å; L73-F164 HydrophobicContact CD1-CE2 4.09Å; L73-F164 HydrophobicContact CD2-CB 4.47Å; L73-F164 HydrophobicContact CD2-CD2 3.5Å; L73-F164 HydrophobicContact CD2-CE2 3.77Å; L73-F164 HydrophobicContact CD2-CG 3.96Å; L73-F164 HydrophobicContact CD2-CZ 4.45Å; L73-F164 HydrophobicContact CG-CD2 3.76Å; L73-F164 HydrophobicContact CG-CE2 3.56Å; L73-F164 HydrophobicContact CG-CZ 4.31Å; L73-M167 HydrophobicContact CD2-CB 4.13Å; L73-M167 HydrophobicContact CD2-SD 3.9Å
74	E	90.9	Very high	91	Very high	130 Å²	130	36.3 Å²	36.3	61%	0.607	18%	0.182	S	C	*	.	H	α-helix	trans	-65	-45.4	175.4	-61.2	-55.7	137.3	0	0	111	N70 E71 G76 H77 E78	N70-E74 PolarHBondContact O-N 3.08Å; N70-E74 VanDerWaalsContact O-N 3.1Å; E71-E74 PolarHBondContact O-N 3.14Å; E74-G76 VanDerWaalsContact C-N 3.26Å; E74-G76 PolarHBondContact O-N 3.12Å; E74-H77 WeakPolarHBondContact O-CB 3.48Å; E74-H77 PolarHBondContact O-N 2.7Å; E74-E78 PolarHBondContact O-N 3.31Å
75	E	94.1	Very high	91.8	Very high	65 Å²	65	34 Å²	34	30%	0.304	17%	0.168	S	C	.	.	H	α-helix	trans	-57	-41.2	172.5	-163.6	-167.2	165.5	0	0	111.1	E71 H77 E78 Y79 F128	E71-E75 PolarHBondContact O-N 3.49Å; E75-H77 PolarHBondContact O-N 2.83Å; E75-E78 PolarHBondContact O-N 3.32Å; E75-Y79 HydrophobicContact CG-CD2 4.43Å; E75-Y79 HydrophobicContact CG-CE2 3.83Å; E75-Y79 WeakPolarHBondContact O-CD2 3.45Å; E75-Y79 PolarHBondContact O-N 3.04Å; E75-F128 HydrophobicContact CB-CD2 4.39Å; E75-F128 HydrophobicContact CB-CE2 3.81Å; E75-F128 HydrophobicContact CG-CD2 3.92Å; E75-F128 HydrophobicContact CG-CE2 3.86Å; E75-F128 WeakPolarHBondContact OE1-CD2 3.38Å; E75-F128 WeakPolarHBondContact OE2-CD2 3.19Å
76	G	94.9	Very high	92.4	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-65.4	-34.3	174.7	0	0	0	0	0	114.3	M72 L73 E74 Y79 A80	M72-G76 PolarHBondContact O-N 3.02Å; L73-G76 CarbonylContact O-C 3.55Å; L73-G76 PolarHBondContact O-N 3.4Å; E74-G76 VanDerWaalsContact C-N 3.26Å; E74-G76 PolarHBondContact O-N 3.12Å; G76-Y79 PolarHBondContact O-N 3.42Å; G76-A80 PolarHBondContact O-N 2.87Å
77	H	93.2	Very high	93	Very high	70 Å²	70	35.5 Å²	35.5	32%	0.324	17%	0.17	S	C	.	.	H	α-helix	trans	-65.6	-39.9	173	-173.9	80.5	0	0	0	111.3	L73 E74 E75 Y79 A80 V81 F308	L73-H77 PolarHBondContact O-N 2.7Å; E74-H77 WeakPolarHBondContact O-CB 3.48Å; E74-H77 PolarHBondContact O-N 2.7Å; E75-H77 PolarHBondContact O-N 2.83Å; H77-Y79 VanDerWaalsContact C-N 3.32Å; H77-Y79 PolarHBondContact O-N 2.95Å; H77-A80 WeakPolarHBondContact O-CB 3.42Å; H77-A80 PolarHBondContact O-N 3.34Å; H77-A80 VanDerWaalsContact O-N 3.12Å; H77-V81 WeakPolarHBondContact O-CG2 3.48Å; H77-V81 PolarHBondContact O-N 3.32Å; H77-F308 AromaticContact CE1-CE2 3.93Å
78	E	94.9	Very high	93.7	Very high	115 Å²	115	36.1 Å²	36.1	54%	0.537	18%	0.175	S	C	.	.	H	α-helix	trans	-61.4	-38.6	174.7	-61.8	-157.7	141	0	0	112.3	E74 E75 V81 M82 K707	E74-E78 PolarHBondContact O-N 3.31Å; E75-E78 PolarHBondContact O-N 3.32Å; E78-V81 PolarHBondContact O-N 3.07Å; E78-M82 WeakPolarHBondContact O-CB 3.46Å; E78-M82 PolarHBondContact O-N 3.26Å; E78-K707 IonicContact OE1-NZ 3.7Å; E78-K707 PolarHBondContact OE1-NZ 3.03Å
79	Y	96.7	Very high	94.1	Very high	32 Å²	32	36.4 Å²	36.4	13%	0.125	18%	0.176	C	C	.	.	H	α-helix	trans	-69.3	-33.9	172.2	-69.3	-66.2	0	0	0	113.3	E75 G76 H77 M82 L83 K124 F125 F128	E75-Y79 HydrophobicContact CG-CD2 4.43Å; E75-Y79 HydrophobicContact CG-CE2 3.83Å; E75-Y79 WeakPolarHBondContact O-CD2 3.45Å; E75-Y79 PolarHBondContact O-N 3.04Å; G76-Y79 PolarHBondContact O-N 3.42Å; H77-Y79 VanDerWaalsContact C-N 3.32Å; H77-Y79 PolarHBondContact O-N 2.95Å; Y79-M82 HydrophobicContact CD1-CE 4.15Å; Y79-M82 HydrophobicContact CD1-SD 4.11Å; Y79-M82 WeakPolarHBondContact O-CB 3.31Å; Y79-M82 PolarHBondContact O-N 3.2Å; Y79-L83 WeakPolarHBondContact O-CG 3.38Å; Y79-L83 PolarHBondContact O-N 3.12Å; Y79-K124 HydrophobicContact CE1-CB 4.22Å; Y79-F125 HydrophobicContact CD1-CB 3.65Å; Y79-F125 HydrophobicContact CD1-CD2 4.01Å; Y79-F125 HydrophobicContact CD1-CG 4.21Å; Y79-F125 HydrophobicContact CE1-CB 3.86Å; Y79-F125 HydrophobicContact CG-CB 4.41Å; Y79-F125 AromaticContact CG-CD2 3.92Å; Y79-F125 HydrophobicContact CG-CD2 3.92Å; Y79-F128 HydrophobicContact CD2-CB 3.95Å; Y79-F128 AromaticContact CD2-CD1 3.41Å; Y79-F128 HydrophobicContact CD2-CD1 3.41Å; Y79-F128 VanDerWaalsContact CD2-CD1 3.41Å; Y79-F128 HydrophobicContact CD2-CD2 4.02Å; Y79-F128 AromaticContact CD2-CE1 3.91Å; Y79-F128 HydrophobicContact CD2-CE1 3.91Å; Y79-F128 HydrophobicContact CD2-CE2 4.43Å; Y79-F128 AromaticContact CD2-CG 3.49Å; Y79-F128 HydrophobicContact CD2-CG 3.49Å; Y79-F128 VanDerWaalsContact CD2-CG 3.49Å; Y79-F128 HydrophobicContact CD2-CZ 4.39Å; Y79-F128 HydrophobicContact CE2-CB 3.36Å; Y79-F128 AromaticContact CE2-CD1 3.72Å; Y79-F128 HydrophobicContact CE2-CD1 3.72Å; Y79-F128 AromaticContact CE2-CD2 3.61Å; Y79-F128 HydrophobicContact CE2-CD2 3.61Å; Y79-F128 HydrophobicContact CE2-CE1 4.46Å; Y79-F128 HydrophobicContact CE2-CE2 4.34Å; Y79-F128 AromaticContact CE2-CG 3.24Å; Y79-F128 HydrophobicContact CE2-CG 3.24Å; Y79-F128 HydrophobicContact CG-CD1 4.28Å
80	A	95.8	Very high	94.2	Very high	3 Å²	3	37.5 Å²	37.5	3%	0.025	18%	0.184	C	C	.	.	H	α-helix	trans	-64.7	-44.7	173.8	0	0	0	0	0	111.2	G76 H77 M82 L83 Y84 V170 L171 L174 F308	G76-A80 PolarHBondContact O-N 2.87Å; H77-A80 WeakPolarHBondContact O-CB 3.42Å; H77-A80 PolarHBondContact O-N 3.34Å; H77-A80 VanDerWaalsContact O-N 3.12Å; A80-M82 PolarHBondContact O-N 2.87Å; A80-L83 PolarHBondContact O-N 3.22Å; A80-Y84 WeakPolarHBondContact O-CB 3.33Å; A80-Y84 PolarHBondContact O-N 3.43Å; A80-V170 HydrophobicContact CB-CG1 3.83Å; A80-L171 HydrophobicContact CB-CD2 3.96Å; A80-L174 HydrophobicContact CB-CD1 3.75Å; A80-L174 WeakPolarHBondContact O-CD1 3.45Å; A80-F308 HydrophobicContact CB-CD2 3.99Å; A80-F308 HydrophobicContact CB-CE2 3.51Å; A80-F308 HydrophobicContact CB-CZ 3.93Å
81	V	95.6	Very high	94.5	Very high	8 Å²	8	42 Å²	42	5%	0.048	20%	0.198	C	C	.	.	H	α-helix	trans	-57.3	-47.2	171	168.6	0	0	0	0	111.1	H77 E78 L83 Y84 T85 F308 F706	H77-V81 WeakPolarHBondContact O-CG2 3.48Å; H77-V81 PolarHBondContact O-N 3.32Å; E78-V81 PolarHBondContact O-N 3.07Å; V81-L83 PolarHBondContact O-N 2.98Å; V81-Y84 PolarHBondContact O-N 3.44Å; V81-T85 WeakPolarHBondContact O-CB 3.45Å; V81-T85 WeakPolarHBondContact O-CG2 3.26Å; V81-T85 PolarHBondContact O-N 3.43Å; V81-T85 PolarHBondContact O-OG1 3.26Å; V81-F308 HydrophobicContact CG2-CZ 3.94Å; V81-F706 HydrophobicContact CB-CD1 4.45Å; V81-F706 HydrophobicContact CG1-CB 4.35Å; V81-F706 HydrophobicContact CG1-CD1 4.01Å; V81-F706 VanDerWaalsContact CG1-O 3.25Å; V81-F706 WeakPolarHBondContact CG1-O 3.43Å; V81-F706 HydrophobicContact CG2-CD1 3.99Å; V81-F706 HydrophobicContact CG2-CE1 4.49Å
82	M	95.8	Very high	94.6	Very high	25 Å²	25	40.8 Å²	40.8	12%	0.123	21%	0.208	C	C	.	.	H	α-helix	trans	-58.2	-47.3	178.3	-178.1	-155.9	73.6	0	0	111.9	E78 Y79 A80 W86 K121 L122 F125	E78-M82 WeakPolarHBondContact O-CB 3.46Å; E78-M82 PolarHBondContact O-N 3.26Å; Y79-M82 HydrophobicContact CD1-CE 4.15Å; Y79-M82 HydrophobicContact CD1-SD 4.11Å; Y79-M82 WeakPolarHBondContact O-CB 3.31Å; Y79-M82 PolarHBondContact O-N 3.2Å; A80-M82 PolarHBondContact O-N 2.87Å; M82-W86 HydrophobicContact CE-CZ3 4.37Å; M82-W86 HydrophobicContact CG-CE3 4.16Å; M82-W86 HydrophobicContact CG-CZ3 4.23Å; M82-W86 PolarHBondContact O-N 3.06Å; M82-W86 HydrophobicContact SD-CZ3 4.19Å; M82-K121 HydrophobicContact SD-CB 3.63Å; M82-K121 HydrophobicContact SD-CD 4.49Å; M82-L122 HydrophobicContact CE-CD2 4.15Å; M82-F125 HydrophobicContact CE-CB 4.03Å; M82-F125 HydrophobicContact CE-CD1 4.49Å; M82-F125 HydrophobicContact CE-CG 4.26Å
83	L	96.4	Very high	94.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.8	-51	178.8	-70.8	171.5	0	0	0	111.3	Y79 A80 V81 T85 W86 F125 L171 L174 K175 K178 V181	Y79-L83 WeakPolarHBondContact O-CG 3.38Å; Y79-L83 PolarHBondContact O-N 3.12Å; A80-L83 PolarHBondContact O-N 3.22Å; V81-L83 PolarHBondContact O-N 2.98Å; L83-T85 VanDerWaalsContact C-N 3.35Å; L83-T85 PolarHBondContact O-N 2.95Å; L83-W86 VanDerWaalsContact O-CB 3.24Å; L83-W86 WeakPolarHBondContact O-CB 3.48Å; L83-W86 PolarHBondContact O-N 3.49Å; L83-W86 VanDerWaalsContact O-N 3.11Å; L83-F125 HydrophobicContact CD1-CE1 3.92Å; L83-F125 HydrophobicContact CD1-CE2 4.13Å; L83-F125 HydrophobicContact CD1-CZ 3.64Å; L83-F125 HydrophobicContact CD2-CD1 4.28Å; L83-F125 HydrophobicContact CD2-CE1 4.03Å; L83-F125 HydrophobicContact CG-CE1 4.44Å; L83-L171 HydrophobicContact CD1-CD2 4.07Å; L83-L174 HydrophobicContact CB-CB 3.91Å; L83-L174 HydrophobicContact CB-CD1 4.35Å; L83-L174 HydrophobicContact CD1-CB 3.93Å; L83-K175 HydrophobicContact CD1-CB 4.47Å; L83-K178 WeakPolarHBondContact O-CE 3.37Å; L83-K178 WeakPolarHBondContact O-CG 3.44Å; L83-V181 HydrophobicContact CD2-CG2 4.24Å
84	Y	96.5	Very high	94.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.7	-46.4	-177.2	179.7	-106.3	0	0	0	112.5	A80 V81 W86 L174 M177 K178 F308 D310 E649 F706	A80-Y84 WeakPolarHBondContact O-CB 3.33Å; A80-Y84 PolarHBondContact O-N 3.43Å; V81-Y84 PolarHBondContact O-N 3.44Å; Y84-W86 PolarHBondContact O-N 3.43Å; Y84-L174 HydrophobicContact CD2-CD2 3.93Å; Y84-L174 HydrophobicContact CG-CD2 4.45Å; Y84-M177 HydrophobicContact CD2-CE 4.24Å; Y84-K178 WeakPolarHBondContact O-CE 3.46Å; Y84-K178 PolarHBondContact O-NZ 3.31Å; Y84-F308 VanDerWaalsContact CB-CE1 3.4Å; Y84-F308 HydrophobicContact CD1-CD1 4.25Å; Y84-F308 AromaticContact CD1-CE1 3.86Å; Y84-F308 HydrophobicContact CD1-CE1 3.86Å; Y84-F308 AromaticContact CD2-CD1 3.78Å; Y84-F308 HydrophobicContact CD2-CD1 3.78Å; Y84-F308 HydrophobicContact CD2-CE1 4.18Å; Y84-F308 HydrophobicContact CE2-CD1 4.48Å; Y84-F308 AromaticContact CG-CD1 3.65Å; Y84-F308 HydrophobicContact CG-CD1 3.65Å; Y84-F308 AromaticContact CG-CE1 3.55Å; Y84-F308 HydrophobicContact CG-CE1 3.55Å; Y84-D310 WeakPolarHBondContact CE2-OD1 3.07Å; Y84-D310 VanDerWaalsContact CZ-OD1 3.25Å; Y84-D310 PolarHBondContact OH-N 2.82Å; Y84-D310 PolarHBondContact OH-OD1 3.03Å; Y84-E649 HydrophobicContact CD1-CB 4.35Å; Y84-E649 HydrophobicContact CD1-CG 4.26Å; Y84-E649 HydrophobicContact CD2-CB 4.28Å; Y84-E649 HydrophobicContact CE1-CB 3.91Å; Y84-E649 HydrophobicContact CE1-CG 3.75Å; Y84-E649 HydrophobicContact CE2-CB 3.84Å; Y84-E649 WeakPolarHBondContact O-CB 3.32Å; Y84-E649 PolarHBondContact OH-N 3.18Å; Y84-F706 AromaticContact CD1-CE1 3.78Å; Y84-F706 HydrophobicContact CD1-CE1 3.78Å; Y84-F706 HydrophobicContact CD1-CE2 4.38Å; Y84-F706 AromaticContact CD1-CZ 3.68Å; Y84-F706 HydrophobicContact CD1-CZ 3.68Å; Y84-F706 HydrophobicContact CE1-CE1 4.09Å; Y84-F706 AromaticContact CE1-CE2 3.96Å; Y84-F706 HydrophobicContact CE1-CE2 3.96Å; Y84-F706 AromaticContact CE1-CZ 3.48Å; Y84-F706 HydrophobicContact CE1-CZ 3.48Å; Y84-F706 VanDerWaalsContact CE1-CZ 3.48Å
85	T	95.9	Very high	94.2	Very high	8 Å²	8	46.4 Å²	46.4	5%	0.049	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	6.4	-179.4	63.1	0	0	0	0	114	V81 L83 R87 F706 K708 L711	V81-T85 WeakPolarHBondContact O-CB 3.45Å; V81-T85 WeakPolarHBondContact O-CG2 3.26Å; V81-T85 PolarHBondContact O-N 3.43Å; V81-T85 PolarHBondContact O-OG1 3.26Å; L83-T85 VanDerWaalsContact C-N 3.35Å; L83-T85 PolarHBondContact O-N 2.95Å; T85-R87 PolarHBondContact O-N 3.38Å; T85-F706 HydrophobicContact CG2-CB 4.29Å; T85-F706 HydrophobicContact CG2-CD1 4.15Å; T85-F706 HydrophobicContact CG2-CG 4.13Å; T85-K708 HydrophobicContact CG2-CG 4.02Å; T85-K708 VanDerWaalsContact OG1-CE 3.31Å; T85-K708 WeakPolarHBondContact OG1-CE 3.47Å; T85-L711 HydrophobicContact CG2-CD1 3.85Å
86	W	96.4	Very high	94	Very high	16 Å²	16	44.9 Å²	44.9	6%	0.061	24%	0.236	C	C	.	.			trans	-74.9	110.9	175.6	-159.7	-64.3	0	0	0	110.9	M82 L83 Y84 E118 L122 K178 V181 D184	M82-W86 HydrophobicContact CE-CZ3 4.37Å; M82-W86 HydrophobicContact CG-CE3 4.16Å; M82-W86 HydrophobicContact CG-CZ3 4.23Å; M82-W86 PolarHBondContact O-N 3.06Å; M82-W86 HydrophobicContact SD-CZ3 4.19Å; L83-W86 VanDerWaalsContact O-CB 3.24Å; L83-W86 WeakPolarHBondContact O-CB 3.48Å; L83-W86 PolarHBondContact O-N 3.49Å; L83-W86 VanDerWaalsContact O-N 3.11Å; Y84-W86 PolarHBondContact O-N 3.43Å; W86-E118 HydrophobicContact CH2-CB 3.69Å; W86-E118 WeakPolarHBondContact CH2-O 3.36Å; W86-E118 HydrophobicContact CZ2-CB 3.86Å; W86-L122 HydrophobicContact CE3-CD2 4.13Å; W86-L122 HydrophobicContact CH2-CD1 3.82Å; W86-L122 HydrophobicContact CH2-CD2 3.56Å; W86-L122 HydrophobicContact CH2-CG 3.51Å; W86-L122 HydrophobicContact CZ2-CD1 4.04Å; W86-L122 HydrophobicContact CZ2-CD2 4.3Å; W86-L122 HydrophobicContact CZ2-CG 4.24Å; W86-L122 HydrophobicContact CZ3-CD2 3.46Å; W86-L122 VanDerWaalsContact CZ3-CD2 3.46Å; W86-L122 HydrophobicContact CZ3-CG 3.92Å; W86-K178 VanDerWaalsContact O-CE 3.31Å; W86-K178 WeakPolarHBondContact O-CE 3.32Å; W86-K178 PolarHBondContact O-NZ 2.97Å; W86-V181 HydrophobicContact CB-CG2 3.94Å; W86-V181 HydrophobicContact CD2-CG2 3.61Å; W86-V181 HydrophobicContact CE3-CG2 4.12Å; W86-V181 HydrophobicContact CG-CG2 3.5Å; W86-V181 VanDerWaalsContact CG-CG2 3.5Å; W86-D184 PolarHBondContact NE1-OD2 3.32Å
87	R	95.4	Very high	93.7	Very high	53 Å²	53	54 Å²	54	20%	0.2	28%	0.276	C	S	.	.			trans	-103.5	147.7	167	-65.4	-172.4	178.2	174	7.7	109.8	T85 C89 E649 E714	T85-R87 PolarHBondContact O-N 3.38Å; R87-C89 PolarHBondContact O-N 2.95Å; R87-E649 WeakPolarHBondContact CG-OE2 3.2Å; R87-E649 IonicContact CZ-OE1 3.73Å; R87-E649 IonicContact CZ-OE2 2.75Å; R87-E649 IonicContact NE-OE1 2.73Å; R87-E649 PolarHBondContact NE-OE1 2.87Å; R87-E649 IonicContact NE-OE2 3.62Å; R87-E649 PolarHBondContact NE-OE2 3.32Å; R87-E649 IonicContact NH2-OE1 3.49Å; R87-E649 PolarHBondContact NH2-OE1 3.1Å; R87-E649 IonicContact NH2-OE2 3.05Å; R87-E714 IonicContact CZ-OE1 2.77Å; R87-E714 IonicContact CZ-OE2 3.17Å; R87-E714 IonicContact NH1-OE1 3.44Å; R87-E714 PolarHBondContact NH1-OE1 3.23Å; R87-E714 IonicContact NH1-OE2 3.58Å; R87-E714 PolarHBondContact NH1-OE2 2.74Å; R87-E714 IonicContact NH2-OE1 3Å; R87-E714 PolarHBondContact NH2-OE1 3.25Å; R87-E714 IonicContact NH2-OE2 3.91Å; R87-E714 PolarHBondContact NH2-OE2 2.88Å
88	S	94.8	Very high	93.5	Very high	18 Å²	18	53.6 Å²	53.6	13%	0.126	28%	0.28	C	S	.	.			trans	-70.2	112.4	-171.1	-177.7	0	0	0	0	113.4	S90 R91 S180 D184	S88-S90 VanDerWaalsContact C-N 3.33Å; S88-S90 PolarHBondContact OG-N 3.05Å; S88-S90 PolarHBondContact OG-OG 3.12Å; S88-R91 PolarHBondContact O-N 3.06Å; S88-R91 PolarHBondContact OG-N 3.31Å; S88-S180 WeakPolarHBondContact CB-OG 3.48Å; S88-D184 WeakPolarHBondContact CA-OD2 3.12Å; S88-D184 PolarHBondContact OG-OD1 3.45Å
89	C	94.5	Very high	93.1	Very high	43 Å²	43	53.2 Å²	53.2	29%	0.291	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-65.9	-35.9	169.7	-70.9	0	0	0	0	111.6	R87 R91 A92 I93 L115 D184	R87-C89 PolarHBondContact O-N 2.95Å; C89-R91 PolarHBondContact O-N 3.39Å; C89-R91 VanDerWaalsContact O-N 3.17Å; C89-A92 PolarHBondContact O-N 2.9Å; C89-I93 WeakPolarHBondContact O-CG1 3.4Å; C89-I93 PolarHBondContact O-N 2.69Å; C89-L115 HydrophobicContact CB-CD2 3.47Å; C89-L115 VanDerWaalsContact CB-CD2 3.47Å; C89-D184 PolarHBondContact N-OD1 3.02Å; C89-D184 PolarHBondContact N-OD2 3.19Å
90	S	92.4	Very high	92.6	Very high	24 Å²	24	58.5 Å²	58.5	17%	0.168	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-67.2	-14.6	-179.1	60.9	0	0	0	0	114.7	S88 D184	S88-S90 VanDerWaalsContact C-N 3.33Å; S88-S90 PolarHBondContact OG-N 3.05Å; S88-S90 PolarHBondContact OG-OG 3.12Å; S90-D184 WeakPolarHBondContact CB-OD1 3.28Å; S90-D184 PolarHBondContact N-OD1 2.98Å; S90-D184 PolarHBondContact OG-OD1 3.28Å
91	R	92.8	Very high	92.3	Very high	126 Å²	126	60.1 Å²	60.1	48%	0.475	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-76.8	-26.1	168.6	-68.5	177.6	-170.9	-84.2	5.3	113.4	S88 C89 M656	S88-R91 PolarHBondContact O-N 3.06Å; S88-R91 PolarHBondContact OG-N 3.31Å; C89-R91 PolarHBondContact O-N 3.39Å; C89-R91 VanDerWaalsContact O-N 3.17Å; R91-M656 VanDerWaalsContact CZ-C 3.47Å; R91-M656 PolarHBondContact NH1-O 3.39Å; R91-M656 PolarHBondContact NH2-O 2.74Å
92	A	92.3	Very high	91.9	Very high	87 Å²	87	66 Å²	66	72%	0.719	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-17.1	176.4	0	0	0	0	0	113	C89	C89-A92 PolarHBondContact O-N 2.9Å
93	I	92.3	Very high	91.7	Very high	34 Å²	34	67.9 Å²	67.9	17%	0.174	36%	0.363	C	S	.	.	S	Bend	trans	-79.8	128.2	-179.4	-67.1	173.5	0	0	0	110.6	C89 Q95 I107 T111 L115	C89-I93 WeakPolarHBondContact O-CG1 3.4Å; C89-I93 PolarHBondContact O-N 2.69Å; I93-Q95 PolarHBondContact O-N 3.24Å; I93-I107 HydrophobicContact CG2-CG2 4.39Å; I93-T111 HydrophobicContact CD1-CG2 4.01Å; I93-T111 WeakPolarHBondContact CG2-OG1 3.31Å; I93-L115 HydrophobicContact CD1-CD1 3.89Å; I93-L115 HydrophobicContact CD1-CG 4.15Å
94	P	90.5	Very high	91.4	Very high	85 Å²	85	70.1 Å²	70.1	55%	0.552	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-58.2	124.7	173.7	-24.6	34.6	0	0	0	111.9	I107	P94-I107 HydrophobicContact CB-CD1 4.21Å; P94-I107 WeakPolarHBondContact O-CG2 3.4Å
95	Q	87.7	Confident	91.2	Very high	161 Å²	161	73.4 Å²	73.4	75%	0.752	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-75.1	134.3	179.9	-63.1	-175.1	4.4	0	0	111.4	I93 K97	I93-Q95 PolarHBondContact O-N 3.24Å; Q95-K97 PolarHBondContact O-N 3.14Å
96	V	89.1	Confident	91	Very high	33 Å²	33	78.9 Å²	78.9	20%	0.2	42%	0.417	C	S	.	.			trans	-72.1	107.2	169.2	178.2	0	0	0	0	108.5	C98 R104 I107 Y108	V96-C98 VanDerWaalsContact CG1-O 3.24Å; V96-C98 WeakPolarHBondContact CG1-O 3.48Å; V96-R104 HydrophobicContact CG1-CB 4.28Å; V96-R104 HydrophobicContact CG1-CG 3.89Å; V96-R104 HydrophobicContact CG2-CG 4.3Å; V96-I107 HydrophobicContact CG2-CB 4.25Å; V96-I107 HydrophobicContact CG2-CD1 4.27Å; V96-I107 HydrophobicContact CG2-CG2 3.82Å; V96-Y108 HydrophobicContact CB-CE2 4.46Å; V96-Y108 HydrophobicContact CG1-CE2 4.48Å; V96-Y108 HydrophobicContact CG2-CD2 4.44Å; V96-Y108 HydrophobicContact CG2-CE1 4.23Å; V96-Y108 HydrophobicContact CG2-CE2 3.88Å
97	K	88.8	Confident	90.8	Very high	194 Å²	194	78.8 Å²	78.8	84%	0.843	42%	0.417	S	S	*	.			trans	-77.7	-34.8	-173.4	-70.3	-178.1	176.6	178.5	0	113.4	Q95	Q95-K97 PolarHBondContact O-N 3.14Å
98	C	88.4	Confident	90.7	Very high	60 Å²	60	78 Å²	78	41%	0.405	42%	0.415	S	S	.	.	S	Bend	trans	-146.9	170	-179	71.2	0	0	0	0	110.6	V96 E100	V96-C98 VanDerWaalsContact CG1-O 3.24Å; V96-C98 WeakPolarHBondContact CG1-O 3.48Å; C98-E100 WeakPolarHBondContact CB-OE2 3.26Å; C98-E100 PolarHBondContact O-N 3.06Å; C98-E100 PolarHBondContact SG-OE2 3.21Å
99	N	87.2	Confident	90.7	Very high	107 Å²	107	81.8 Å²	81.8	57%	0.572	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-22.8	-175.8	-81.2	-40.5	0	0	0	112.8	R104	N99-R104 VanDerWaalsContact CB-NH1 3.28Å; N99-R104 WeakPolarHBondContact O-CD 3.48Å; N99-R104 PolarHBondContact O-NH1 2.95Å; N99-R104 PolarHBondContact OD1-NH1 2.85Å; N99-R104 PolarHBondContact OD1-NH2 2.93Å
100	E	87	Confident	90.6	Very high	144 Å²	144	85.2 Å²	85.2	67%	0.673	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	0.4	-172.5	-51.7	69.6	-149.8	0	0	112.8	C98	C98-E100 WeakPolarHBondContact CB-OE2 3.26Å; C98-E100 PolarHBondContact O-N 3.06Å; C98-E100 PolarHBondContact SG-OE2 3.21Å
101	Q	88.3	Confident	90.7	Very high	36 Å²	36	84.3 Å²	84.3	17%	0.168	43%	0.434	C	S	.	.			trans	-63.7	123.6	-177.1	179.6	169.7	-22.9	0	0	111.2	N103 R104 I107	Q101-N103 WeakPolarHBondContact CG-OD1 3.22Å; Q101-N103 PolarHBondContact NE2-OD1 3.11Å; Q101-N103 PolarHBondContact O-N 3.26Å; Q101-R104 HydrophobicContact CB-CB 4.41Å; Q101-R104 WeakPolarHBondContact O-CB 3.29Å; Q101-R104 PolarHBondContact O-N 3.25Å; Q101-I107 VanDerWaalsContact NE2-CD1 3.26Å
102	P	88.1	Confident	90.7	Very high	131 Å²	131	78.3 Å²	78.3	85%	0.851	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-47.1	-170.3	-28.7	35.3	0	0	0	114.5	R104	P102-R104 PolarHBondContact O-N 3.19Å
103	N	91.1	Very high	90.8	Very high	65 Å²	65	79.6 Å²	79.6	35%	0.348	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	18.4	179.8	65.7	-14.6	0	0	0	113.9	Q101 V105 E106 I107	Q101-N103 WeakPolarHBondContact CG-OD1 3.22Å; Q101-N103 PolarHBondContact NE2-OD1 3.11Å; Q101-N103 PolarHBondContact O-N 3.26Å; N103-V105 VanDerWaalsContact C-N 3.33Å; N103-V105 PolarHBondContact O-N 3.24Å; N103-E106 HydrophobicContact CB-CB 4.44Å; N103-E106 WeakPolarHBondContact CB-OE2 3.4Å; N103-E106 PolarHBondContact O-N 2.73Å; N103-I107 WeakPolarHBondContact O-CB 3.25Å; N103-I107 VanDerWaalsContact O-CG1 3.26Å; N103-I107 WeakPolarHBondContact O-CG1 3.23Å; N103-I107 PolarHBondContact O-N 3.18Å; N103-I107 WeakPolarHBondContact OD1-CD1 3.15Å
104	R	90.7	Very high	90.9	Very high	47 Å²	47	81.6 Å²	81.6	18%	0.177	42%	0.416	C	S	.	.	H	α-helix	trans	-56.8	-43.7	-179.9	170.7	178.8	-179.9	175.8	16.1	112.9	V96 N99 Q101 P102 Y108 F194	V96-R104 HydrophobicContact CG1-CB 4.28Å; V96-R104 HydrophobicContact CG1-CG 3.89Å; V96-R104 HydrophobicContact CG2-CG 4.3Å; N99-R104 VanDerWaalsContact CB-NH1 3.28Å; N99-R104 WeakPolarHBondContact O-CD 3.48Å; N99-R104 PolarHBondContact O-NH1 2.95Å; N99-R104 PolarHBondContact OD1-NH1 2.85Å; N99-R104 PolarHBondContact OD1-NH2 2.93Å; Q101-R104 HydrophobicContact CB-CB 4.41Å; Q101-R104 WeakPolarHBondContact O-CB 3.29Å; Q101-R104 PolarHBondContact O-N 3.25Å; P102-R104 PolarHBondContact O-N 3.19Å; R104-Y108 HydrophobicContact CG-CD2 3.9Å; R104-Y108 HydrophobicContact CG-CE2 3.73Å; R104-Y108 WeakPolarHBondContact O-CD2 3.44Å; R104-Y108 PolarHBondContact O-N 3.46Å; R104-F194 HydrophobicContact CG-CE1 4.24Å; R104-F194 HydrophobicContact CG-CZ 4.19Å; R104-F194 VanDerWaalsContact NE-CE2 3.31Å; R104-F194 VanDerWaalsContact NE-CZ 3.27Å; R104-F194 VanDerWaalsContact NH2-CE2 3.26Å
105	V	90.8	Very high	91.2	Very high	69 Å²	69	77.6 Å²	77.6	42%	0.418	39%	0.39	S	S	.	.	H	α-helix	trans	-66.6	-51.7	-179.4	-177.9	0	0	0	0	109.5	N103 I107 Y108 E109 F194 L195	N103-V105 VanDerWaalsContact C-N 3.33Å; N103-V105 PolarHBondContact O-N 3.24Å; V105-I107 VanDerWaalsContact C-N 3.34Å; V105-I107 PolarHBondContact O-N 3.2Å; V105-Y108 PolarHBondContact O-N 3.3Å; V105-E109 HydrophobicContact CG1-CG 4.32Å; V105-E109 WeakPolarHBondContact O-CG 3.22Å; V105-E109 PolarHBondContact O-N 3.24Å; V105-F194 HydrophobicContact CG2-CE1 4.28Å; V105-L195 HydrophobicContact CG1-CD2 4.21Å
106	E	92.1	Very high	91.4	Very high	123 Å²	123	73.3 Å²	73.3	58%	0.575	37%	0.37	S	S	*	.	H	α-helix	trans	-54.8	-45.6	177.7	-57.5	174	166	0	0	112.3	N103 Y108 E109 K110	N103-E106 HydrophobicContact CB-CB 4.44Å; N103-E106 WeakPolarHBondContact CB-OE2 3.4Å; N103-E106 PolarHBondContact O-N 2.73Å; E106-Y108 VanDerWaalsContact C-N 3.33Å; E106-Y108 PolarHBondContact O-N 2.85Å; E106-E109 PolarHBondContact O-N 3.37Å; E106-K110 WeakPolarHBondContact O-CB 3.25Å; E106-K110 WeakPolarHBondContact O-CG 3.42Å; E106-K110 PolarHBondContact O-N 3.07Å
107	I	93.2	Very high	91.7	Very high	15 Å²	15	75 Å²	75	8%	0.077	38%	0.382	C	S	.	.	H	α-helix	trans	-58.3	-46.1	176	-73.9	166.9	0	0	0	110.4	I93 P94 V96 Q101 N103 V105 T111	I93-I107 HydrophobicContact CG2-CG2 4.39Å; P94-I107 HydrophobicContact CB-CD1 4.21Å; P94-I107 WeakPolarHBondContact O-CG2 3.4Å; V96-I107 HydrophobicContact CG2-CB 4.25Å; V96-I107 HydrophobicContact CG2-CD1 4.27Å; V96-I107 HydrophobicContact CG2-CG2 3.82Å; Q101-I107 VanDerWaalsContact NE2-CD1 3.26Å; N103-I107 WeakPolarHBondContact O-CB 3.25Å; N103-I107 VanDerWaalsContact O-CG1 3.26Å; N103-I107 WeakPolarHBondContact O-CG1 3.23Å; N103-I107 PolarHBondContact O-N 3.18Å; N103-I107 WeakPolarHBondContact OD1-CD1 3.15Å; V105-I107 VanDerWaalsContact C-N 3.34Å; V105-I107 PolarHBondContact O-N 3.2Å; I107-T111 VanDerWaalsContact O-CB 3.24Å; I107-T111 WeakPolarHBondContact O-CB 3.41Å; I107-T111 PolarHBondContact O-N 3.42Å; I107-T111 PolarHBondContact O-OG1 2.82Å
108	Y	93.3	Very high	92	Very high	37 Å²	37	68 Å²	68	15%	0.145	35%	0.352	C	S	.	.	H	α-helix	trans	-71	-34.8	179.6	-73	-49.4	0	0	0	112.8	V96 R104 V105 E106 T111 V112 A191 F194	V96-Y108 HydrophobicContact CB-CE2 4.46Å; V96-Y108 HydrophobicContact CG1-CE2 4.48Å; V96-Y108 HydrophobicContact CG2-CD2 4.44Å; V96-Y108 HydrophobicContact CG2-CE1 4.23Å; V96-Y108 HydrophobicContact CG2-CE2 3.88Å; R104-Y108 HydrophobicContact CG-CD2 3.9Å; R104-Y108 HydrophobicContact CG-CE2 3.73Å; R104-Y108 WeakPolarHBondContact O-CD2 3.44Å; R104-Y108 PolarHBondContact O-N 3.46Å; V105-Y108 PolarHBondContact O-N 3.3Å; E106-Y108 VanDerWaalsContact C-N 3.33Å; E106-Y108 PolarHBondContact O-N 2.85Å; Y108-T111 WeakPolarHBondContact O-CB 3.4Å; Y108-T111 PolarHBondContact O-N 3.12Å; Y108-V112 WeakPolarHBondContact O-CG2 3.27Å; Y108-V112 PolarHBondContact O-N 3.17Å; Y108-A191 HydrophobicContact CD1-CB 3.51Å; Y108-A191 HydrophobicContact CE1-CB 4.35Å; Y108-A191 HydrophobicContact CG-CB 4.17Å; Y108-F194 HydrophobicContact CD2-CB 4.18Å; Y108-F194 AromaticContact CD2-CD1 3.25Å; Y108-F194 HydrophobicContact CD2-CD1 3.25Å; Y108-F194 AromaticContact CD2-CE1 3.73Å; Y108-F194 HydrophobicContact CD2-CE1 3.73Å; Y108-F194 AromaticContact CD2-CG 3.76Å; Y108-F194 HydrophobicContact CD2-CG 3.76Å; Y108-F194 HydrophobicContact CE2-CB 4.35Å; Y108-F194 AromaticContact CE2-CD1 3.86Å; Y108-F194 HydrophobicContact CE2-CD1 3.86Å; Y108-F194 HydrophobicContact CE2-CD2 4.43Å; Y108-F194 HydrophobicContact CE2-CE1 4.28Å; Y108-F194 AromaticContact CE2-CG 3.93Å; Y108-F194 HydrophobicContact CE2-CG 3.93Å; Y108-F194 HydrophobicContact CG-CD1 4.02Å
109	E	93.2	Very high	92.2	Very high	97 Å²	97	65.5 Å²	65.5	45%	0.453	34%	0.335	S	S	.	.	H	α-helix	trans	-62.4	-48.6	174.2	-72.7	178.1	159.2	0	0	110.8	V105 E106 T111 V112 E113 L195	V105-E109 HydrophobicContact CG1-CG 4.32Å; V105-E109 WeakPolarHBondContact O-CG 3.22Å; V105-E109 PolarHBondContact O-N 3.24Å; E106-E109 PolarHBondContact O-N 3.37Å; E109-T111 PolarHBondContact O-N 2.82Å; E109-V112 PolarHBondContact O-N 3.39Å; E109-E113 WeakPolarHBondContact O-CB 3.46Å; E109-E113 PolarHBondContact O-N 2.8Å; E109-L195 HydrophobicContact CB-CD1 4.37Å; E109-L195 HydrophobicContact CG-CD1 3.8Å; E109-L195 HydrophobicContact CG-CD2 3.81Å; E109-L195 HydrophobicContact CG-CG 4.48Å
110	K	94	Very high	92.6	Very high	114 Å²	114	63.7 Å²	63.7	50%	0.496	33%	0.327	S	S	.	.	H	α-helix	trans	-67.3	-32.6	174.6	-65.6	-51	-171.5	-177	0	113.4	E106 V112 E113 V114	E106-K110 WeakPolarHBondContact O-CB 3.25Å; E106-K110 WeakPolarHBondContact O-CG 3.42Å; E106-K110 PolarHBondContact O-N 3.07Å; K110-V112 VanDerWaalsContact C-N 3.34Å; K110-E113 VanDerWaalsContact CD-OE2 3.27Å; K110-E113 WeakPolarHBondContact CD-OE2 3.06Å; K110-E113 IonicContact NZ-OE1 2.7Å; K110-E113 PolarHBondContact NZ-OE1 3.41Å; K110-E113 IonicContact NZ-OE2 3.49Å; K110-E113 PolarHBondContact NZ-OE2 2.74Å; K110-E113 PolarHBondContact O-N 2.77Å; K110-V114 WeakPolarHBondContact O-CB 3.48Å; K110-V114 WeakPolarHBondContact O-CG2 3.42Å; K110-V114 PolarHBondContact O-N 2.71Å
111	T	94.1	Very high	93	Very high	6 Å²	6	60.7 Å²	60.7	4%	0.037	31%	0.312	C	S	.	.	H	α-helix	trans	-61.4	-43.4	172.3	-63.1	0	0	0	0	111	I93 I107 Y108 E109 L115 A191	I93-T111 HydrophobicContact CD1-CG2 4.01Å; I93-T111 WeakPolarHBondContact CG2-OG1 3.31Å; I107-T111 VanDerWaalsContact O-CB 3.24Å; I107-T111 WeakPolarHBondContact O-CB 3.41Å; I107-T111 PolarHBondContact O-N 3.42Å; I107-T111 PolarHBondContact O-OG1 2.82Å; Y108-T111 WeakPolarHBondContact O-CB 3.4Å; Y108-T111 PolarHBondContact O-N 3.12Å; E109-T111 PolarHBondContact O-N 2.82Å; T111-L115 HydrophobicContact CG2-CD1 3.73Å; T111-L115 VanDerWaalsContact O-CB 3.25Å; T111-L115 WeakPolarHBondContact O-CB 3.49Å; T111-L115 WeakPolarHBondContact O-CG 3.3Å; T111-L115 PolarHBondContact O-N 3.02Å; T111-L115 VanDerWaalsContact O-N 3.1Å; T111-A191 HydrophobicContact CG2-CB 3.56Å
112	V	93.3	Very high	93.3	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-68.1	-49.2	175	172	0	0	0	0	110.6	Y108 E109 K110 V114 L115 E116 Y188 A191 A192 L195 K197	Y108-V112 WeakPolarHBondContact O-CG2 3.27Å; Y108-V112 PolarHBondContact O-N 3.17Å; E109-V112 PolarHBondContact O-N 3.39Å; K110-V112 VanDerWaalsContact C-N 3.34Å; V112-V114 VanDerWaalsContact C-N 3.27Å; V112-V114 PolarHBondContact O-N 2.84Å; V112-L115 PolarHBondContact O-N 3.23Å; V112-E116 HydrophobicContact CG1-CB 4.33Å; V112-E116 WeakPolarHBondContact CG1-OE2 3.42Å; V112-E116 WeakPolarHBondContact O-CB 3.33Å; V112-E116 PolarHBondContact O-N 3.27Å; V112-Y188 HydrophobicContact CG1-CE2 4.02Å; V112-Y188 HydrophobicContact CG2-CD2 4.47Å; V112-Y188 HydrophobicContact CG2-CE2 4.48Å; V112-A191 HydrophobicContact CG2-CB 3.72Å; V112-A192 HydrophobicContact CG2-CB 4.15Å; V112-L195 HydrophobicContact CB-CD1 4.5Å; V112-L195 HydrophobicContact CG2-CD1 4Å; V112-K197 HydrophobicContact CG1-CD 3.88Å; V112-K197 VanDerWaalsContact CG1-NZ 3.34Å
113	E	94	Very high	93.5	Very high	113 Å²	113	54.1 Å²	54.1	53%	0.528	27%	0.27	S	S	.	.	H	α-helix	trans	-52.5	-42.3	179.8	-172.7	178.1	132.2	0	0	113	E109 K110	E109-E113 WeakPolarHBondContact O-CB 3.46Å; E109-E113 PolarHBondContact O-N 2.8Å; K110-E113 VanDerWaalsContact CD-OE2 3.27Å; K110-E113 WeakPolarHBondContact CD-OE2 3.06Å; K110-E113 IonicContact NZ-OE1 2.7Å; K110-E113 PolarHBondContact NZ-OE1 3.41Å; K110-E113 IonicContact NZ-OE2 3.49Å; K110-E113 PolarHBondContact NZ-OE2 2.74Å; K110-E113 PolarHBondContact O-N 2.77Å
114	V	95	Very high	93.7	Very high	76 Å²	76	56.9 Å²	56.9	46%	0.461	28%	0.279	S	S	.	.	H	α-helix	trans	-78.8	-39.8	179.5	173.2	0	0	0	0	112.8	K110 V112	K110-V114 WeakPolarHBondContact O-CB 3.48Å; K110-V114 WeakPolarHBondContact O-CG2 3.42Å; K110-V114 PolarHBondContact O-N 2.71Å; V112-V114 VanDerWaalsContact C-N 3.27Å; V112-V114 PolarHBondContact O-N 2.84Å
115	L	95.3	Very high	94	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-92.8	-18.6	-171.8	-64.4	175.1	0	0	0	114.7	C89 I93 T111 V112 E118 V119 D184 A187 Y188	C89-L115 HydrophobicContact CB-CD2 3.47Å; C89-L115 VanDerWaalsContact CB-CD2 3.47Å; I93-L115 HydrophobicContact CD1-CD1 3.89Å; I93-L115 HydrophobicContact CD1-CG 4.15Å; T111-L115 HydrophobicContact CG2-CD1 3.73Å; T111-L115 VanDerWaalsContact O-CB 3.25Å; T111-L115 WeakPolarHBondContact O-CB 3.49Å; T111-L115 WeakPolarHBondContact O-CG 3.3Å; T111-L115 PolarHBondContact O-N 3.02Å; T111-L115 VanDerWaalsContact O-N 3.1Å; V112-L115 PolarHBondContact O-N 3.23Å; L115-E118 PolarHBondContact O-N 3.18Å; L115-V119 WeakPolarHBondContact O-CG2 3.14Å; L115-V119 PolarHBondContact O-N 3.39Å; L115-D184 HydrophobicContact CD2-CB 4.14Å; L115-A187 HydrophobicContact CD1-CB 3.91Å; L115-Y188 HydrophobicContact CB-CD2 4.05Å; L115-Y188 HydrophobicContact CB-CG 4.39Å
116	E	93.3	Very high	94.2	Very high	72 Å²	72	52.1 Å²	52.1	34%	0.336	26%	0.255	S	S	.	.	H	α-helix	trans	-59.8	-44.1	-179.6	-174	147.8	-116.5	0	0	113.5	V112 E118 T120 Y188 K197	V112-E116 HydrophobicContact CG1-CB 4.33Å; V112-E116 WeakPolarHBondContact CG1-OE2 3.42Å; V112-E116 WeakPolarHBondContact O-CB 3.33Å; V112-E116 PolarHBondContact O-N 3.27Å; E116-E118 VanDerWaalsContact C-N 3.29Å; E116-E118 PolarHBondContact O-N 3.47Å; E116-T120 WeakPolarHBondContact O-CB 3.31Å; E116-T120 PolarHBondContact O-N 2.6Å; E116-T120 PolarHBondContact O-OG1 2.8Å; E116-Y188 HydrophobicContact CB-CD2 4.45Å; E116-Y188 HydrophobicContact CB-CE2 3.75Å; E116-Y188 HydrophobicContact CG-CE2 4.14Å; E116-Y188 PolarHBondContact OE1-OH 3.32Å; E116-K197 IonicContact OE2-NZ 2.7Å
117	P	95	Very high	94.3	Very high	69 Å²	69	51 Å²	51	45%	0.448	25%	0.246	S	C	.	.	H	α-helix	trans	-63.5	-35.5	173.7	-21	34.4	0	0	0	112.5	T120 K121	P117-T120 WeakPolarHBondContact O-CB 3.47Å; P117-T120 PolarHBondContact O-N 2.78Å; P117-K121 PolarHBondContact O-N 2.69Å
118	E	94.8	Very high	94.4	Very high	47 Å²	47	50.4 Å²	50.4	22%	0.22	24%	0.243	C	C	.	.	H	α-helix	trans	-73.3	-46.5	-179.1	-59.2	-50.6	128.9	0	0	111.4	W86 L115 E116 T120 K121 L122	W86-E118 HydrophobicContact CH2-CB 3.69Å; W86-E118 WeakPolarHBondContact CH2-O 3.36Å; W86-E118 HydrophobicContact CZ2-CB 3.86Å; L115-E118 PolarHBondContact O-N 3.18Å; E116-E118 VanDerWaalsContact C-N 3.29Å; E116-E118 PolarHBondContact O-N 3.47Å; E118-T120 PolarHBondContact O-N 2.7Å; E118-K121 WeakPolarHBondContact O-CA 3.16Å; E118-K121 WeakPolarHBondContact O-CB 3.43Å; E118-K121 PolarHBondContact O-N 3.19Å; E118-K121 WeakPolarHBondContact OE1-CE 3.43Å; E118-K121 IonicContact OE1-NZ 2.61Å; E118-K121 PolarHBondContact OE1-NZ 2.83Å; E118-K121 WeakPolarHBondContact OE2-CD 3.32Å; E118-K121 WeakPolarHBondContact OE2-CE 3.36Å; E118-K121 IonicContact OE2-NZ 2.62Å; E118-K121 PolarHBondContact OE2-NZ 3.26Å; E118-L122 PolarHBondContact O-N 2.96Å; E118-L122 VanDerWaalsContact O-N 3.15Å
119	V	93.5	Very high	94.5	Very high	7 Å²	7	49.3 Å²	49.3	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-60.4	-32.5	173.7	171	0	0	0	0	111.4	L115 K121 L122 M123 H185 Y188 L210	L115-V119 WeakPolarHBondContact O-CG2 3.14Å; L115-V119 PolarHBondContact O-N 3.39Å; V119-K121 VanDerWaalsContact C-N 3.3Å; V119-K121 PolarHBondContact O-N 3.42Å; V119-L122 WeakPolarHBondContact O-CB 3.16Å; V119-L122 PolarHBondContact O-N 2.83Å; V119-L122 VanDerWaalsContact O-N 3.12Å; V119-M123 WeakPolarHBondContact O-CG 3.36Å; V119-M123 PolarHBondContact O-N 2.83Å; V119-H185 HydrophobicContact CG2-CB 4.47Å; V119-Y188 HydrophobicContact CB-CD1 4.24Å; V119-Y188 HydrophobicContact CB-CE1 4.43Å; V119-Y188 HydrophobicContact CB-CG 4.4Å; V119-Y188 HydrophobicContact CG1-CD1 4.01Å; V119-Y188 HydrophobicContact CG1-CE1 3.98Å; V119-Y188 HydrophobicContact CG2-CD1 3.82Å; V119-Y188 HydrophobicContact CG2-CD2 4.34Å; V119-Y188 HydrophobicContact CG2-CE1 4.49Å; V119-Y188 HydrophobicContact CG2-CG 3.73Å; V119-L210 HydrophobicContact CG1-CD2 3.98Å
120	T	93.8	Very high	94.5	Very high	68 Å²	68	51.6 Å²	51.6	42%	0.417	24%	0.243	S	C	.	.	H	α-helix	trans	-61	-36.7	171.6	-58.7	0	0	0	0	112.3	E116 P117 E118 M123 K124	E116-T120 WeakPolarHBondContact O-CB 3.31Å; E116-T120 PolarHBondContact O-N 2.6Å; E116-T120 PolarHBondContact O-OG1 2.8Å; P117-T120 WeakPolarHBondContact O-CB 3.47Å; P117-T120 PolarHBondContact O-N 2.78Å; E118-T120 PolarHBondContact O-N 2.7Å; T120-M123 PolarHBondContact O-N 3.36Å; T120-K124 WeakPolarHBondContact O-CG 3.29Å; T120-K124 PolarHBondContact O-N 2.75Å; T120-K124 VanDerWaalsContact O-N 3.09Å
121	K	95.2	Very high	94.6	Very high	82 Å²	82	51.6 Å²	51.6	36%	0.357	24%	0.244	S	C	.	.	H	α-helix	trans	-67.6	-37.9	173.2	-55.9	172.1	-164.2	166.5	0	111.6	M82 P117 E118 V119 K124 F125	M82-K121 HydrophobicContact SD-CB 3.63Å; M82-K121 HydrophobicContact SD-CD 4.49Å; P117-K121 PolarHBondContact O-N 2.69Å; E118-K121 WeakPolarHBondContact O-CA 3.16Å; E118-K121 WeakPolarHBondContact O-CB 3.43Å; E118-K121 PolarHBondContact O-N 3.19Å; E118-K121 WeakPolarHBondContact OE1-CE 3.43Å; E118-K121 IonicContact OE1-NZ 2.61Å; E118-K121 PolarHBondContact OE1-NZ 2.83Å; E118-K121 WeakPolarHBondContact OE2-CD 3.32Å; E118-K121 WeakPolarHBondContact OE2-CE 3.36Å; E118-K121 IonicContact OE2-NZ 2.62Å; E118-K121 PolarHBondContact OE2-NZ 3.26Å; V119-K121 VanDerWaalsContact C-N 3.3Å; V119-K121 PolarHBondContact O-N 3.42Å; K121-K124 PolarHBondContact O-N 3.28Å; K121-F125 PolarHBondContact O-N 2.79Å
122	L	94.9	Very high	94.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.5	-36.8	175.8	-59	179.4	0	0	0	112.8	M82 W86 E118 V119 F125 M126 V181 H185 L210 L214	M82-L122 HydrophobicContact CE-CD2 4.15Å; W86-L122 HydrophobicContact CE3-CD2 4.13Å; W86-L122 HydrophobicContact CH2-CD1 3.82Å; W86-L122 HydrophobicContact CH2-CD2 3.56Å; W86-L122 HydrophobicContact CH2-CG 3.51Å; W86-L122 HydrophobicContact CZ2-CD1 4.04Å; W86-L122 HydrophobicContact CZ2-CD2 4.3Å; W86-L122 HydrophobicContact CZ2-CG 4.24Å; W86-L122 HydrophobicContact CZ3-CD2 3.46Å; W86-L122 VanDerWaalsContact CZ3-CD2 3.46Å; W86-L122 HydrophobicContact CZ3-CG 3.92Å; E118-L122 PolarHBondContact O-N 2.96Å; E118-L122 VanDerWaalsContact O-N 3.15Å; V119-L122 WeakPolarHBondContact O-CB 3.16Å; V119-L122 PolarHBondContact O-N 2.83Å; V119-L122 VanDerWaalsContact O-N 3.12Å; L122-F125 PolarHBondContact O-N 2.98Å; L122-M126 WeakPolarHBondContact O-CB 3.5Å; L122-M126 PolarHBondContact O-N 3.22Å; L122-V181 HydrophobicContact CD1-CG1 3.79Å; L122-V181 HydrophobicContact CD2-CG1 3.52Å; L122-V181 HydrophobicContact CD2-CG2 4.49Å; L122-V181 HydrophobicContact CG-CG1 4.3Å; L122-H185 HydrophobicContact CD1-CB 4.21Å; L122-L210 HydrophobicContact CB-CD1 4.15Å; L122-L210 HydrophobicContact CB-CD2 3.99Å; L122-L214 HydrophobicContact CD1-CD1 4.23Å
123	M	92.9	Very high	94.8	Very high	28 Å²	28	51.3 Å²	51.3	14%	0.138	24%	0.242	C	C	.	.	H	α-helix	trans	-60.9	-49.7	170.3	-70.7	-62.4	-173.8	0	0	111	V119 T120 F125 M126 Y127 E206 L210	V119-M123 WeakPolarHBondContact O-CG 3.36Å; V119-M123 PolarHBondContact O-N 2.83Å; T120-M123 PolarHBondContact O-N 3.36Å; M123-F125 VanDerWaalsContact C-N 3.32Å; M123-F125 PolarHBondContact O-N 2.79Å; M123-M126 WeakPolarHBondContact O-CB 3.24Å; M123-M126 PolarHBondContact O-N 3.17Å; M123-M126 VanDerWaalsContact O-N 3.16Å; M123-M126 HydrophobicContact SD-CE 3.81Å; M123-Y127 HydrophobicContact CB-CE2 4.14Å; M123-Y127 WeakPolarHBondContact O-CD2 3.5Å; M123-Y127 PolarHBondContact O-N 2.87Å; M123-E206 HydrophobicContact CE-CB 4.03Å; M123-E206 HydrophobicContact SD-CB 4.35Å; M123-L210 HydrophobicContact CE-CB 3.9Å; M123-L210 HydrophobicContact CE-CD2 3.68Å; M123-L210 HydrophobicContact CE-CG 4.42Å; M123-L210 HydrophobicContact CG-CD2 4.13Å; M123-L210 HydrophobicContact SD-CB 3.87Å; M123-L210 HydrophobicContact SD-CD2 3.71Å; M123-L210 HydrophobicContact SD-CG 4.25Å
124	K	95.3	Very high	94.8	Very high	124 Å²	124	49.9 Å²	49.9	54%	0.539	24%	0.235	S	C	.	.	H	α-helix	trans	-56.8	-43.9	176	-71.9	177.7	178.1	-176.4	0	112.1	Y79 T120 K121 Y127 F128	Y79-K124 HydrophobicContact CE1-CB 4.22Å; T120-K124 WeakPolarHBondContact O-CG 3.29Å; T120-K124 PolarHBondContact O-N 2.75Å; T120-K124 VanDerWaalsContact O-N 3.09Å; K121-K124 PolarHBondContact O-N 3.28Å; K124-Y127 PolarHBondContact O-N 3.43Å; K124-F128 WeakPolarHBondContact O-CB 3.32Å; K124-F128 PolarHBondContact O-N 3.33Å
125	F	96.2	Very high	94.7	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-45.5	174.4	171.8	-128.1	0	0	0	112.8	Y79 M82 L83 K121 L122 M123 Y127 F128 Q129 L171 K175 F213 I220	Y79-F125 HydrophobicContact CD1-CB 3.65Å; Y79-F125 HydrophobicContact CD1-CD2 4.01Å; Y79-F125 HydrophobicContact CD1-CG 4.21Å; Y79-F125 HydrophobicContact CE1-CB 3.86Å; Y79-F125 HydrophobicContact CG-CB 4.41Å; Y79-F125 AromaticContact CG-CD2 3.92Å; Y79-F125 HydrophobicContact CG-CD2 3.92Å; M82-F125 HydrophobicContact CE-CB 4.03Å; M82-F125 HydrophobicContact CE-CD1 4.49Å; M82-F125 HydrophobicContact CE-CG 4.26Å; L83-F125 HydrophobicContact CD1-CE1 3.92Å; L83-F125 HydrophobicContact CD1-CE2 4.13Å; L83-F125 HydrophobicContact CD1-CZ 3.64Å; L83-F125 HydrophobicContact CD2-CD1 4.28Å; L83-F125 HydrophobicContact CD2-CE1 4.03Å; L83-F125 HydrophobicContact CG-CE1 4.44Å; K121-F125 PolarHBondContact O-N 2.79Å; L122-F125 PolarHBondContact O-N 2.98Å; M123-F125 VanDerWaalsContact C-N 3.32Å; M123-F125 PolarHBondContact O-N 2.79Å; F125-Y127 VanDerWaalsContact C-N 3.3Å; F125-Y127 PolarHBondContact O-N 2.81Å; F125-F128 PolarHBondContact O-N 2.84Å; F125-Q129 HydrophobicContact CE2-CB 4.37Å; F125-Q129 WeakPolarHBondContact O-CG 3.41Å; F125-Q129 PolarHBondContact O-N 2.92Å; F125-L171 HydrophobicContact CE2-CB 4.28Å; F125-L171 HydrophobicContact CE2-CD1 4.32Å; F125-L171 HydrophobicContact CE2-CD2 3.98Å; F125-L171 HydrophobicContact CE2-CG 4.42Å; F125-L171 HydrophobicContact CZ-CB 4.42Å; F125-K175 HydrophobicContact CE1-CD 4.36Å; F125-K175 HydrophobicContact CE1-CG 4.44Å; F125-F213 AromaticContact CD1-CE1 3.74Å; F125-F213 HydrophobicContact CD1-CE1 3.74Å; F125-F213 HydrophobicContact CD1-CZ 4.15Å; F125-F213 AromaticContact CE1-CE1 3.52Å; F125-F213 HydrophobicContact CE1-CE1 3.52Å; F125-F213 AromaticContact CE1-CZ 3.59Å; F125-F213 HydrophobicContact CE1-CZ 3.59Å; F125-F213 HydrophobicContact CZ-CE1 4.35Å; F125-F213 AromaticContact CZ-CZ 3.97Å; F125-F213 HydrophobicContact CZ-CZ 3.97Å; F125-I220 HydrophobicContact CE2-CD1 4.38Å; F125-I220 HydrophobicContact CZ-CD1 3.86Å
126	M	94.8	Very high	94.7	Very high	15 Å²	15	50 Å²	50	7%	0.074	23%	0.227	C	C	.	.	H	α-helix	trans	-59.6	-40.5	176.3	-179.9	-176.1	64.1	0	0	111.8	L122 M123 Q129 N209 L210 F213	L122-M126 WeakPolarHBondContact O-CB 3.5Å; L122-M126 PolarHBondContact O-N 3.22Å; M123-M126 WeakPolarHBondContact O-CB 3.24Å; M123-M126 PolarHBondContact O-N 3.17Å; M123-M126 VanDerWaalsContact O-N 3.16Å; M123-M126 HydrophobicContact SD-CE 3.81Å; M126-Q129 PolarHBondContact O-NE2 3.46Å; M126-N209 HydrophobicContact CE-CB 4.15Å; M126-N209 HydrophobicContact SD-CB 4.02Å; M126-L210 HydrophobicContact CB-CD1 4.13Å; M126-L210 HydrophobicContact CE-CB 4.37Å; M126-L210 HydrophobicContact SD-CB 4.14Å; M126-L210 HydrophobicContact SD-CD1 4.16Å; M126-F213 HydrophobicContact CB-CD1 4.02Å; M126-F213 HydrophobicContact CB-CE1 4.23Å; M126-F213 HydrophobicContact CG-CB 4.25Å; M126-F213 HydrophobicContact CG-CD1 4.07Å; M126-F213 HydrophobicContact CG-CG 4.06Å; M126-F213 HydrophobicContact SD-CB 4.08Å
127	Y	94.8	Very high	94.8	Very high	99 Å²	99	46.9 Å²	46.9	39%	0.388	21%	0.213	S	C	.	.	H	α-helix	trans	-70.6	-41.7	175.2	-64.4	-48	0	0	0	112.6	M123 K124 F125 R130 K131 E206	M123-Y127 HydrophobicContact CB-CE2 4.14Å; M123-Y127 WeakPolarHBondContact O-CD2 3.5Å; M123-Y127 PolarHBondContact O-N 2.87Å; K124-Y127 PolarHBondContact O-N 3.43Å; F125-Y127 VanDerWaalsContact C-N 3.3Å; F125-Y127 PolarHBondContact O-N 2.81Å; Y127-R130 PolarHBondContact O-N 3.32Å; Y127-K131 WeakPolarHBondContact O-CB 3.13Å; Y127-K131 PolarHBondContact O-N 3.4Å; Y127-E206 VanDerWaalsContact OH-CG 3.24Å; Y127-E206 WeakPolarHBondContact OH-CG 3.49Å; Y127-E206 PolarHBondContact OH-OE2 2.82Å
128	F	96.6	Very high	94.7	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-57.9	-56.2	177.3	169.2	-97.9	0	0	0	111.7	M72 E75 Y79 K124 F125 R130 K131 A132 M167 L171	M72-F128 HydrophobicContact CG-CE2 3.82Å; M72-F128 HydrophobicContact CG-CZ 4.17Å; M72-F128 WeakPolarHBondContact O-CZ 3.32Å; E75-F128 HydrophobicContact CB-CD2 4.39Å; E75-F128 HydrophobicContact CB-CE2 3.81Å; E75-F128 HydrophobicContact CG-CD2 3.92Å; E75-F128 HydrophobicContact CG-CE2 3.86Å; E75-F128 WeakPolarHBondContact OE1-CD2 3.38Å; E75-F128 WeakPolarHBondContact OE2-CD2 3.19Å; Y79-F128 HydrophobicContact CD2-CB 3.95Å; Y79-F128 AromaticContact CD2-CD1 3.41Å; Y79-F128 HydrophobicContact CD2-CD1 3.41Å; Y79-F128 VanDerWaalsContact CD2-CD1 3.41Å; Y79-F128 HydrophobicContact CD2-CD2 4.02Å; Y79-F128 AromaticContact CD2-CE1 3.91Å; Y79-F128 HydrophobicContact CD2-CE1 3.91Å; Y79-F128 HydrophobicContact CD2-CE2 4.43Å; Y79-F128 AromaticContact CD2-CG 3.49Å; Y79-F128 HydrophobicContact CD2-CG 3.49Å; Y79-F128 VanDerWaalsContact CD2-CG 3.49Å; Y79-F128 HydrophobicContact CD2-CZ 4.39Å; Y79-F128 HydrophobicContact CE2-CB 3.36Å; Y79-F128 AromaticContact CE2-CD1 3.72Å; Y79-F128 HydrophobicContact CE2-CD1 3.72Å; Y79-F128 AromaticContact CE2-CD2 3.61Å; Y79-F128 HydrophobicContact CE2-CD2 3.61Å; Y79-F128 HydrophobicContact CE2-CE1 4.46Å; Y79-F128 HydrophobicContact CE2-CE2 4.34Å; Y79-F128 AromaticContact CE2-CG 3.24Å; Y79-F128 HydrophobicContact CE2-CG 3.24Å; Y79-F128 HydrophobicContact CG-CD1 4.28Å; K124-F128 WeakPolarHBondContact O-CB 3.32Å; K124-F128 PolarHBondContact O-N 3.33Å; F125-F128 PolarHBondContact O-N 2.84Å; F128-R130 PolarHBondContact O-N 3.15Å; F128-K131 PolarHBondContact O-N 2.81Å; F128-K131 VanDerWaalsContact O-N 3.15Å; F128-A132 HydrophobicContact CE1-CB 4.32Å; F128-A132 HydrophobicContact CE2-CB 4.47Å; F128-A132 HydrophobicContact CZ-CB 4.16Å; F128-A132 WeakPolarHBondContact O-CB 3.2Å; F128-A132 PolarHBondContact O-N 3.12Å; F128-M167 HydrophobicContact CE1-CE 4.43Å; F128-M167 HydrophobicContact CE1-SD 4.41Å; F128-M167 HydrophobicContact CZ-CE 4.21Å; F128-M167 HydrophobicContact CZ-SD 4.07Å; F128-L171 HydrophobicContact CD1-CD1 4.49Å; F128-L171 HydrophobicContact CE1-CD1 3.86Å
129	Q	94.7	Very high	94.6	Very high	14 Å²	14	45.2 Å²	45.2	7%	0.065	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-34.4	-176.2	64.2	76.4	42.8	0	0	111.7	F125 M126 A132 I133 F213 I220	F125-Q129 HydrophobicContact CE2-CB 4.37Å; F125-Q129 WeakPolarHBondContact O-CG 3.41Å; F125-Q129 PolarHBondContact O-N 2.92Å; M126-Q129 PolarHBondContact O-NE2 3.46Å; Q129-A132 PolarHBondContact O-N 2.92Å; Q129-I133 VanDerWaalsContact O-CG1 3.28Å; Q129-I133 WeakPolarHBondContact O-CG1 3.28Å; Q129-I133 PolarHBondContact O-N 2.95Å; Q129-F213 HydrophobicContact CG-CE2 3.84Å; Q129-F213 HydrophobicContact CG-CZ 3.74Å; Q129-I220 HydrophobicContact CB-CD1 4.12Å; Q129-I220 HydrophobicContact CB-CG1 4.44Å; Q129-I220 HydrophobicContact CG-CD1 4.26Å; Q129-I220 HydrophobicContact CG-CG1 4.31Å
130	R	93.7	Very high	94.6	Very high	144 Å²	144	44.9 Å²	44.9	54%	0.543	21%	0.205	S	C	.	.	H	α-helix	trans	-65.7	-52.3	176	179.6	176.8	175.4	176.4	-0.4	111.2	Y127 F128 A132 I133 E134	Y127-R130 PolarHBondContact O-N 3.32Å; F128-R130 PolarHBondContact O-N 3.15Å; R130-A132 VanDerWaalsContact C-N 3.26Å; R130-A132 PolarHBondContact O-N 2.64Å; R130-I133 PolarHBondContact O-N 3.16Å; R130-E134 HydrophobicContact CG-CG 4.48Å; R130-E134 VanDerWaalsContact CG-OE1 3.3Å; R130-E134 WeakPolarHBondContact CG-OE1 3.45Å; R130-E134 IonicContact CZ-OE1 3.96Å; R130-E134 IonicContact NE-OE1 3.77Å; R130-E134 PolarHBondContact NE-OE1 2.91Å; R130-E134 IonicContact NH2-OE1 2.74Å; R130-E134 PolarHBondContact NH2-OE1 3.17Å; R130-E134 WeakPolarHBondContact O-CB 3.4Å; R130-E134 VanDerWaalsContact O-CG 3.31Å; R130-E134 WeakPolarHBondContact O-CG 3.21Å; R130-E134 PolarHBondContact O-N 2.96Å
131	K	95	Very high	94.5	Very high	115 Å²	115	48.3 Å²	48.3	50%	0.5	21%	0.214	S	C	.	.	H	α-helix	trans	-58.2	-38.6	176.3	179.2	-171.1	172.1	-161.3	0	111.5	M72 Y127 F128 R135	M72-K131 HydrophobicContact CE-CD 4.37Å; M72-K131 HydrophobicContact CE-CG 4.27Å; Y127-K131 WeakPolarHBondContact O-CB 3.13Å; Y127-K131 PolarHBondContact O-N 3.4Å; F128-K131 PolarHBondContact O-N 2.81Å; F128-K131 VanDerWaalsContact O-N 3.15Å; K131-R135 WeakPolarHBondContact O-CB 3.3Å; K131-R135 PolarHBondContact O-N 2.96Å
132	A	95.5	Very high	94.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-69.4	-45.3	179.2	0	0	0	0	0	112.3	M72 F128 Q129 R130 R135 F136 M167 F168	M72-A132 HydrophobicContact CG-CB 4.34Å; M72-A132 HydrophobicContact SD-CB 3.87Å; F128-A132 HydrophobicContact CE1-CB 4.32Å; F128-A132 HydrophobicContact CE2-CB 4.47Å; F128-A132 HydrophobicContact CZ-CB 4.16Å; F128-A132 WeakPolarHBondContact O-CB 3.2Å; F128-A132 PolarHBondContact O-N 3.12Å; Q129-A132 PolarHBondContact O-N 2.92Å; R130-A132 VanDerWaalsContact C-N 3.26Å; R130-A132 PolarHBondContact O-N 2.64Å; A132-R135 PolarHBondContact O-N 3.22Å; A132-F136 VanDerWaalsContact O-CB 3.24Å; A132-F136 WeakPolarHBondContact O-CB 3.5Å; A132-F136 PolarHBondContact O-N 2.91Å; A132-M167 HydrophobicContact CB-CE 4.14Å; A132-F168 HydrophobicContact CB-CE1 3.84Å; A132-F168 HydrophobicContact CB-CZ 4.2Å
133	I	95.6	Very high	94	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62	-49.3	173	-65.8	168.8	0	0	0	110	Q129 R130 R135 F136 C137 F168 I220 C223 L224 Q227	Q129-I133 VanDerWaalsContact O-CG1 3.28Å; Q129-I133 WeakPolarHBondContact O-CG1 3.28Å; Q129-I133 PolarHBondContact O-N 2.95Å; R130-I133 PolarHBondContact O-N 3.16Å; I133-R135 VanDerWaalsContact C-N 3.32Å; I133-R135 PolarHBondContact O-N 3.22Å; I133-F136 PolarHBondContact O-N 3.06Å; I133-C137 VanDerWaalsContact O-CB 3.31Å; I133-C137 WeakPolarHBondContact O-CB 3.27Å; I133-C137 PolarHBondContact O-N 3.41Å; I133-C137 PolarHBondContact O-SG 3.48Å; I133-F168 HydrophobicContact CB-CE1 4.49Å; I133-F168 HydrophobicContact CG1-CD1 4.02Å; I133-F168 HydrophobicContact CG1-CE1 3.57Å; I133-F168 HydrophobicContact CG1-CZ 3.98Å; I133-I220 HydrophobicContact CD1-CG2 3.94Å; I133-C223 HydrophobicContact CD1-CB 3.85Å; I133-L224 HydrophobicContact CD1-CB 4.44Å; I133-L224 HydrophobicContact CG1-CB 4.5Å; I133-L224 HydrophobicContact CG2-CB 4.49Å; I133-L224 HydrophobicContact CG2-CD1 4.16Å; I133-Q227 HydrophobicContact CG2-CB 4.38Å; I133-Q227 HydrophobicContact CG2-CG 4.36Å
134	E	94.7	Very high	93.9	Very high	82 Å²	82	48.5 Å²	48.5	38%	0.383	21%	0.213	S	C	.	.	H	α-helix	trans	-59.1	-42.2	-179.8	-73.2	171.6	-175.3	0	0	111.5	R130 S138	R130-E134 HydrophobicContact CG-CG 4.48Å; R130-E134 VanDerWaalsContact CG-OE1 3.3Å; R130-E134 WeakPolarHBondContact CG-OE1 3.45Å; R130-E134 IonicContact CZ-OE1 3.96Å; R130-E134 IonicContact NE-OE1 3.77Å; R130-E134 PolarHBondContact NE-OE1 2.91Å; R130-E134 IonicContact NH2-OE1 2.74Å; R130-E134 PolarHBondContact NH2-OE1 3.17Å; R130-E134 WeakPolarHBondContact O-CB 3.4Å; R130-E134 VanDerWaalsContact O-CG 3.31Å; R130-E134 WeakPolarHBondContact O-CG 3.21Å; R130-E134 PolarHBondContact O-N 2.96Å; E134-S138 VanDerWaalsContact O-CB 3.24Å; E134-S138 WeakPolarHBondContact O-CB 3.24Å; E134-S138 PolarHBondContact O-N 3.03Å
135	R	93.8	Very high	93.6	Very high	80 Å²	80	48 Å²	48	30%	0.302	21%	0.212	S	C	.	.	H	α-helix	trans	-67.1	-45.9	176	-179.7	57.9	176.1	-92.6	-15.6	112.1	S68 M69 M72 K131 A132 I133 S138 E139	S68-R135 PolarHBondContact OG-NH2 3.47Å; M69-R135 HydrophobicContact SD-CG 3.88Å; M72-R135 HydrophobicContact CE-CB 4.36Å; M72-R135 HydrophobicContact CE-CG 4.32Å; M72-R135 HydrophobicContact SD-CB 4.23Å; M72-R135 HydrophobicContact SD-CG 4.26Å; K131-R135 WeakPolarHBondContact O-CB 3.3Å; K131-R135 PolarHBondContact O-N 2.96Å; A132-R135 PolarHBondContact O-N 3.22Å; I133-R135 VanDerWaalsContact C-N 3.32Å; I133-R135 PolarHBondContact O-N 3.22Å; R135-S138 PolarHBondContact O-N 3.49Å; R135-E139 WeakPolarHBondContact O-CB 3.4Å; R135-E139 PolarHBondContact O-N 3.48Å; R135-E139 VanDerWaalsContact O-N 3.1Å
136	F	95	Very high	92.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.3	-49.1	177.2	177.5	-98.5	0	0	0	111.5	A132 I133 S138 E139 V140 L161 F164 I165 F168 L224 L228	A132-F136 VanDerWaalsContact O-CB 3.24Å; A132-F136 WeakPolarHBondContact O-CB 3.5Å; A132-F136 PolarHBondContact O-N 2.91Å; I133-F136 PolarHBondContact O-N 3.06Å; F136-S138 PolarHBondContact O-N 3.28Å; F136-E139 WeakPolarHBondContact O-CA 3.25Å; F136-E139 WeakPolarHBondContact O-CB 3.43Å; F136-E139 PolarHBondContact O-N 3.17Å; F136-V140 HydrophobicContact CD1-CG2 4.08Å; F136-V140 HydrophobicContact CE1-CG2 3.73Å; F136-V140 HydrophobicContact CE2-CG2 4.44Å; F136-V140 HydrophobicContact CZ-CG2 3.92Å; F136-V140 WeakPolarHBondContact O-CG2 3.4Å; F136-V140 PolarHBondContact O-N 3.01Å; F136-L161 HydrophobicContact CD2-CD2 4.01Å; F136-L161 HydrophobicContact CE2-CB 4.11Å; F136-L161 HydrophobicContact CE2-CD2 3.88Å; F136-F164 HydrophobicContact CB-CD1 4.21Å; F136-F164 HydrophobicContact CD2-CB 3.58Å; F136-F164 HydrophobicContact CD2-CD1 4.04Å; F136-F164 AromaticContact CD2-CG 3.93Å; F136-F164 HydrophobicContact CD2-CG 3.93Å; F136-F164 HydrophobicContact CE2-CB 3.75Å; F136-F164 HydrophobicContact CG-CD1 4.49Å; F136-I165 HydrophobicContact CE1-CG1 4.43Å; F136-I165 HydrophobicContact CE2-CG1 4.23Å; F136-I165 HydrophobicContact CZ-CD1 4.08Å; F136-I165 HydrophobicContact CZ-CG1 3.66Å; F136-F168 HydrophobicContact CB-CE2 4.02Å; F136-F168 HydrophobicContact CB-CZ 4Å; F136-F168 AromaticContact CD1-CE2 4Å; F136-F168 HydrophobicContact CD1-CE2 4Å; F136-F168 HydrophobicContact CD2-CE2 4.32Å; F136-F168 AromaticContact CG-CE2 3.86Å; F136-F168 HydrophobicContact CG-CE2 3.86Å; F136-F168 HydrophobicContact CG-CZ 4.35Å; F136-L224 HydrophobicContact CD1-CD1 3.74Å; F136-L224 HydrophobicContact CE1-CD1 3.98Å; F136-L228 HydrophobicContact CE1-CD1 4.48Å; F136-L228 HydrophobicContact CE1-CD2 4.11Å
137	C	94.6	Very high	92.1	Very high	6 Å²	6	55.9 Å²	55.9	4%	0.041	26%	0.26	C	S	.	.	H	α-helix	trans	-66	-35.7	179.1	-67.1	0	0	0	0	112.5	I133 E139 V140 K141 Q227 I231	I133-C137 VanDerWaalsContact O-CB 3.31Å; I133-C137 WeakPolarHBondContact O-CB 3.27Å; I133-C137 PolarHBondContact O-N 3.41Å; I133-C137 PolarHBondContact O-SG 3.48Å; C137-E139 VanDerWaalsContact C-N 3.26Å; C137-E139 PolarHBondContact O-N 3.07Å; C137-V140 PolarHBondContact O-N 3Å; C137-K141 VanDerWaalsContact O-CB 3.29Å; C137-K141 WeakPolarHBondContact O-CB 3.33Å; C137-K141 PolarHBondContact O-N 3.44Å; C137-Q227 HydrophobicContact CB-CB 4.14Å; C137-Q227 VanDerWaalsContact SG-CB 3.57Å; C137-I231 HydrophobicContact CB-CD1 4.13Å; C137-I231 WeakPolarHBondContact O-CD1 3.41Å
138	S	93.4	Very high	91.5	Very high	70 Å²	70	56.3 Å²	56.3	49%	0.49	26%	0.261	S	S	.	.	H	α-helix	trans	-58.2	-41.1	169.8	-175.2	0	0	0	0	111.8	E134 R135 F136 K141 R142	E134-S138 VanDerWaalsContact O-CB 3.24Å; E134-S138 WeakPolarHBondContact O-CB 3.24Å; E134-S138 PolarHBondContact O-N 3.03Å; R135-S138 PolarHBondContact O-N 3.49Å; F136-S138 PolarHBondContact O-N 3.28Å; S138-K141 WeakPolarHBondContact O-CB 3.32Å; S138-K141 PolarHBondContact O-N 2.96Å; S138-R142 PolarHBondContact O-N 3.03Å
139	E	92.3	Very high	90.5	Very high	11 Å²	11	61.3 Å²	61.3	5%	0.051	28%	0.28	C	S	.	.	H	α-helix	trans	-71.9	-42.3	-179.7	-154	56.8	-146.9	0	0	112.2	R135 F136 C137 K141 R142 L143 Y157 L161	R135-E139 WeakPolarHBondContact O-CB 3.4Å; R135-E139 PolarHBondContact O-N 3.48Å; R135-E139 VanDerWaalsContact O-N 3.1Å; F136-E139 WeakPolarHBondContact O-CA 3.25Å; F136-E139 WeakPolarHBondContact O-CB 3.43Å; F136-E139 PolarHBondContact O-N 3.17Å; C137-E139 VanDerWaalsContact C-N 3.26Å; C137-E139 PolarHBondContact O-N 3.07Å; E139-K141 VanDerWaalsContact C-N 3.32Å; E139-K141 PolarHBondContact O-N 3.32Å; E139-R142 WeakPolarHBondContact O-CB 3.16Å; E139-R142 PolarHBondContact O-N 3.24Å; E139-R142 IonicContact OE1-CZ 2.69Å; E139-R142 IonicContact OE1-NE 3.73Å; E139-R142 PolarHBondContact OE1-NE 2.91Å; E139-R142 IonicContact OE1-NH2 3.17Å; E139-R142 PolarHBondContact OE1-NH2 2.99Å; E139-R142 IonicContact OE2-NE 2.72Å; E139-L143 WeakPolarHBondContact O-CG 3.42Å; E139-L143 PolarHBondContact O-N 2.98Å; E139-Y157 WeakPolarHBondContact CG-OH 3.48Å; E139-Y157 PolarHBondContact OE1-OH 3.47Å; E139-L161 HydrophobicContact CG-CD2 4.47Å
140	V	93.1	Very high	89.7	Confident	0 Å²	0	65 Å²	65	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-55.9	-47.4	169.2	173.2	0	0	0	0	110.1	F136 C137 R142 L143 C144 L228 I231 L237	F136-V140 HydrophobicContact CD1-CG2 4.08Å; F136-V140 HydrophobicContact CE1-CG2 3.73Å; F136-V140 HydrophobicContact CE2-CG2 4.44Å; F136-V140 HydrophobicContact CZ-CG2 3.92Å; F136-V140 WeakPolarHBondContact O-CG2 3.4Å; F136-V140 PolarHBondContact O-N 3.01Å; C137-V140 PolarHBondContact O-N 3Å; V140-R142 VanDerWaalsContact C-N 3.35Å; V140-R142 PolarHBondContact O-N 2.78Å; V140-L143 PolarHBondContact O-N 3.07Å; V140-C144 VanDerWaalsContact O-CB 3.26Å; V140-C144 WeakPolarHBondContact O-CB 3.32Å; V140-C144 PolarHBondContact O-N 3.09Å; V140-C144 PolarHBondContact O-SG 3.18Å; V140-L228 HydrophobicContact CB-CD2 4.24Å; V140-L228 HydrophobicContact CG1-CD2 3.92Å; V140-L228 HydrophobicContact CG2-CD2 4.01Å; V140-I231 HydrophobicContact CB-CD1 4.26Å; V140-I231 HydrophobicContact CG1-CD1 4.1Å; V140-I231 HydrophobicContact CG1-CG2 4.35Å; V140-L237 HydrophobicContact CB-CD2 4.14Å; V140-L237 HydrophobicContact CG1-CD2 4.09Å; V140-L237 HydrophobicContact CG2-CD2 3.99Å
141	K	93	Very high	89	Confident	140 Å²	140	60.4 Å²	60.4	61%	0.609	28%	0.282	S	S	*	.	H	α-helix	trans	-61.2	-39.7	177.6	-172.4	177.4	-178.6	176.8	0	112.5	C137 S138 E139 H145 I231	C137-K141 VanDerWaalsContact O-CB 3.29Å; C137-K141 WeakPolarHBondContact O-CB 3.33Å; C137-K141 PolarHBondContact O-N 3.44Å; S138-K141 WeakPolarHBondContact O-CB 3.32Å; S138-K141 PolarHBondContact O-N 2.96Å; E139-K141 VanDerWaalsContact C-N 3.32Å; E139-K141 PolarHBondContact O-N 3.32Å; K141-H145 PolarHBondContact O-N 2.83Å; K141-I231 HydrophobicContact CB-CD1 3.95Å; K141-I231 HydrophobicContact CB-CG1 4.13Å; K141-I231 HydrophobicContact CB-CG2 4.16Å; K141-I231 HydrophobicContact CG-CG1 4.45Å; K141-I231 HydrophobicContact CG-CG2 4.4Å
142	R	90.2	Very high	88.4	Confident	95 Å²	95	56.2 Å²	56.2	36%	0.358	26%	0.263	S	S	.	.	H	α-helix	trans	-63.2	-44.3	176.3	-169.8	-174.8	69.8	77.2	-0.1	111.8	S138 E139 V140 R148	S138-R142 PolarHBondContact O-N 3.03Å; E139-R142 WeakPolarHBondContact O-CB 3.16Å; E139-R142 PolarHBondContact O-N 3.24Å; E139-R142 IonicContact OE1-CZ 2.69Å; E139-R142 IonicContact OE1-NE 3.73Å; E139-R142 PolarHBondContact OE1-NE 2.91Å; E139-R142 IonicContact OE1-NH2 3.17Å; E139-R142 PolarHBondContact OE1-NH2 2.99Å; E139-R142 IonicContact OE2-NE 2.72Å; V140-R142 VanDerWaalsContact C-N 3.35Å; V140-R142 PolarHBondContact O-N 2.78Å; R142-R148 WeakPolarHBondContact O-CB 3.46Å
143	L	89.6	Confident	87.8	Confident	14 Å²	14	57.7 Å²	57.7	7%	0.073	27%	0.272	C	S	.	.	H	α-helix	trans	-76.3	-34.3	-179	-67	176.6	0	0	0	113	E139 V140 H145 R148 R149 V153 Y157 L161 L237	E139-L143 WeakPolarHBondContact O-CG 3.42Å; E139-L143 PolarHBondContact O-N 2.98Å; V140-L143 PolarHBondContact O-N 3.07Å; L143-H145 VanDerWaalsContact C-N 3.31Å; L143-H145 PolarHBondContact O-N 3.14Å; L143-R148 CarbonylContact O-C 3.44Å; L143-R149 PolarHBondContact O-N 2.8Å; L143-V153 HydrophobicContact CD1-CG1 4.45Å; L143-V153 HydrophobicContact CD2-CG1 4.49Å; L143-V153 HydrophobicContact CD2-CG2 3.87Å; L143-Y157 HydrophobicContact CD1-CE1 4.14Å; L143-L161 HydrophobicContact CD1-CD1 3.77Å; L143-L237 HydrophobicContact CB-CD1 4.38Å; L143-L237 HydrophobicContact CB-CD2 3.93Å; L143-L237 HydrophobicContact CD1-CD1 4.05Å; L143-L237 HydrophobicContact CD1-CD2 3.83Å
144	C	90	Very high	87.4	Confident	5 Å²	5	57.7 Å²	57.7	3%	0.034	27%	0.272	C	S	.	.	H	α-helix	trans	-78.4	-10.3	-178.4	-64.6	0	0	0	0	114.3	V140 R149 I231 G233	V140-C144 VanDerWaalsContact O-CB 3.26Å; V140-C144 WeakPolarHBondContact O-CB 3.32Å; V140-C144 PolarHBondContact O-N 3.09Å; V140-C144 PolarHBondContact O-SG 3.18Å; C144-R149 PolarHBondContact O-NE 3.15Å; C144-R149 PolarHBondContact O-NH2 2.77Å; C144-I231 HydrophobicContact CB-CG2 4.14Å; C144-G233 PolarHBondContact SG-O 3.28Å
145	H	88.6	Confident	87.1	Confident	114 Å²	114	56.1 Å²	56.1	53%	0.528	27%	0.265	S	S	.	.	S	Bend	trans	-50.6	139.9	175.9	-179.1	-95	0	0	0	111.5	K141 L143 E147 R148 R149	K141-H145 PolarHBondContact O-N 2.83Å; L143-H145 VanDerWaalsContact C-N 3.31Å; L143-H145 PolarHBondContact O-N 3.14Å; H145-E147 PolarHBondContact ND1-N 3.22Å; H145-E147 PolarHBondContact O-N 3Å; H145-R148 HydrophobicContact CB-CB 4.16Å; H145-R148 HydrophobicContact CB-CG 4.22Å; H145-R148 CarbonylContact O-C 3.6Å; H145-R148 WeakPolarHBondContact O-CA 3.19Å; H145-R148 PolarHBondContact O-N 3.16Å; H145-R149 PolarHBondContact O-N 2.63Å
146	A	80.9	Confident	86.7	Confident	65 Å²	65	54 Å²	54	54%	0.537	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-35.1	-167.2	0	0	0	0	0	115
147	E	79.5	Confident	86.4	Confident	115 Å²	115	54.1 Å²	54.1	54%	0.537	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-32.4	173.9	-65.7	-51.9	118.8	0	0	113.5	H145 K150	H145-E147 PolarHBondContact ND1-N 3.22Å; H145-E147 PolarHBondContact O-N 3Å; E147-K150 PolarHBondContact O-N 3.27Å; E147-K150 IonicContact OE1-NZ 3.79Å; E147-K150 PolarHBondContact OE1-NZ 2.92Å; E147-K150 IonicContact OE2-NZ 3.64Å; E147-K150 PolarHBondContact OE2-NZ 2.66Å
148	R	80.9	Confident	86.2	Confident	108 Å²	108	54.5 Å²	54.5	41%	0.408	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-78.5	-24.5	179.3	-64.5	-56.5	-164.9	174.1	5.3	113.3	R142 L143 H145 K150 D151	R142-R148 WeakPolarHBondContact O-CB 3.46Å; L143-R148 CarbonylContact O-C 3.44Å; H145-R148 HydrophobicContact CB-CB 4.16Å; H145-R148 HydrophobicContact CB-CG 4.22Å; H145-R148 CarbonylContact O-C 3.6Å; H145-R148 WeakPolarHBondContact O-CA 3.19Å; H145-R148 PolarHBondContact O-N 3.16Å; R148-K150 PolarHBondContact O-N 2.83Å; R148-K150 VanDerWaalsContact O-N 3.14Å; R148-D151 WeakPolarHBondContact CD-OD2 3.26Å; R148-D151 IonicContact CZ-OD2 3.93Å; R148-D151 IonicContact NE-OD2 3.16Å; R148-D151 IonicContact NH1-OD2 2.74Å; R148-D151 PolarHBondContact NH1-OD2 3.15Å; R148-D151 VanDerWaalsContact O-CB 3.31Å; R148-D151 WeakPolarHBondContact O-CB 3.18Å; R148-D151 PolarHBondContact O-N 2.91Å
149	R	77.5	Confident	86.1	Confident	110 Å²	110	52.7 Å²	52.7	42%	0.415	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-62.4	-18.9	171.4	-161.4	-176.9	-54	-161.9	0.9	112.8	L143 C144 H145 P232	L143-R149 PolarHBondContact O-N 2.8Å; C144-R149 PolarHBondContact O-NE 3.15Å; C144-R149 PolarHBondContact O-NH2 2.77Å; H145-R149 PolarHBondContact O-N 2.63Å; R149-P232 PolarHBondContact NH2-O 3.4Å
150	K	76.5	Confident	86.1	Confident	92 Å²	92	52.4 Å²	52.4	40%	0.4	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-94.8	-5.2	175.8	-56.6	172.6	-169.3	156.9	0	112.8	E147 R148 S598	E147-K150 PolarHBondContact O-N 3.27Å; E147-K150 IonicContact OE1-NZ 3.79Å; E147-K150 PolarHBondContact OE1-NZ 2.92Å; E147-K150 IonicContact OE2-NZ 3.64Å; E147-K150 PolarHBondContact OE2-NZ 2.66Å; R148-K150 PolarHBondContact O-N 2.83Å; R148-K150 VanDerWaalsContact O-N 3.14Å; K150-S598 WeakPolarHBondContact O-CA 3.45Å
151	D	79.1	Confident	86.1	Confident	47 Å²	47	52.4 Å²	52.4	25%	0.251	25%	0.25	S	S	.	.	S	Bend	trans	-87.3	151.1	179.7	-99.9	-40.6	0	0	0	111.1	R58 R148	R58-D151 IonicContact CZ-OD1 2.67Å; R58-D151 IonicContact NH1-OD1 3.45Å; R58-D151 PolarHBondContact NH1-OD1 2.94Å; R58-D151 IonicContact NH1-OD2 3.74Å; R58-D151 IonicContact NH2-OD1 3.74Å; R58-D151 PolarHBondContact NH2-OD1 3.37Å; R148-D151 WeakPolarHBondContact CD-OD2 3.26Å; R148-D151 IonicContact CZ-OD2 3.93Å; R148-D151 IonicContact NE-OD2 3.16Å; R148-D151 IonicContact NH1-OD2 2.74Å; R148-D151 PolarHBondContact NH1-OD2 3.15Å; R148-D151 VanDerWaalsContact O-CB 3.31Å; R148-D151 WeakPolarHBondContact O-CB 3.18Å; R148-D151 PolarHBondContact O-N 2.91Å
152	F	81.9	Confident	86.1	Confident	26 Å²	26	45.7 Å²	45.7	11%	0.114	22%	0.221	C	C	.	.			trans	-62.7	131.7	167.1	168.6	-105.2	0	0	0	112.3	R58 Y59 T588 E591 A595	R58-F152 PolarHBondContact NH2-O 3.15Å; Y59-F152 HydrophobicContact CE1-CD1 4.45Å; Y59-F152 HydrophobicContact CE1-CE1 4.32Å; F152-T588 HydrophobicContact CE1-CG2 4.06Å; F152-E591 HydrophobicContact CE2-CB 4.15Å; F152-E591 HydrophobicContact CE2-CG 3.77Å; F152-E591 WeakPolarHBondContact CE2-OE1 3.48Å; F152-E591 HydrophobicContact CZ-CB 3.82Å; F152-E591 VanDerWaalsContact CZ-CD 3.45Å; F152-E591 HydrophobicContact CZ-CG 3.82Å; F152-E591 VanDerWaalsContact CZ-OE1 3.29Å; F152-E591 WeakPolarHBondContact CZ-OE1 3.42Å; F152-A595 HydrophobicContact CD2-CB 3.65Å; F152-A595 HydrophobicContact CE2-CB 4.12Å
153	V	84.2	Confident	86.3	Confident	31 Å²	31	45.7 Å²	45.7	19%	0.188	22%	0.224	C	C	.	.			trans	-124.3	135.1	170.9	-175.2	0	0	0	0	106.8	L143 Y157 L158	L143-V153 HydrophobicContact CD1-CG1 4.45Å; L143-V153 HydrophobicContact CD2-CG1 4.49Å; L143-V153 HydrophobicContact CD2-CG2 3.87Å; V153-Y157 HydrophobicContact CG1-CD1 3.9Å; V153-L158 HydrophobicContact CB-CD2 4.47Å; V153-L158 HydrophobicContact CG1-CD2 3.91Å; V153-L158 HydrophobicContact CG1-CG 4.12Å
154	S	86.2	Confident	86.6	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.22	C	C	.	.			trans	-75.7	143.2	-174.1	61.3	0	0	0	0	113.3	Q62 A156 Y157 L158 E591	Q62-S154 PolarHBondContact NE2-OG 3.29Å; S154-A156 VanDerWaalsContact C-N 3.26Å; S154-A156 PolarHBondContact O-N 3.45Å; S154-Y157 WeakPolarHBondContact O-CA 3.42Å; S154-Y157 WeakPolarHBondContact O-CB 3.43Å; S154-Y157 PolarHBondContact O-N 3.1Å; S154-Y157 WeakPolarHBondContact OG-CB 3.37Å; S154-L158 PolarHBondContact O-N 3.45Å; S154-E591 WeakPolarHBondContact CA-OE1 3.26Å; S154-E591 WeakPolarHBondContact CB-OE2 3.27Å
155	E	89	Confident	86.8	Confident	50 Å²	50	44.9 Å²	44.9	23%	0.234	22%	0.219	C	C	.	.	H	α-helix	trans	-50.3	-46.9	174.1	-72.3	168.4	-172.8	0	0	111.1	Y157 L158 L159 I244 Y248 E591 H620	E155-Y157 PolarHBondContact O-N 2.89Å; E155-L158 PolarHBondContact O-N 2.93Å; E155-L159 VanDerWaalsContact O-CG 3.28Å; E155-L159 WeakPolarHBondContact O-CG 3.21Å; E155-L159 PolarHBondContact O-N 2.93Å; E155-I244 HydrophobicContact CB-CD1 4.38Å; E155-I244 HydrophobicContact CB-CG1 4.26Å; E155-I244 HydrophobicContact CG-CD1 3.67Å; E155-I244 HydrophobicContact CG-CG1 4.03Å; E155-Y248 PolarHBondContact OE2-OH 3.48Å; E155-E591 HydrophobicContact CG-CG 4.46Å; E155-E591 WeakPolarHBondContact CG-OE1 3.22Å; E155-E591 PolarHBondContact N-OE1 2.84Å; E155-E591 PolarHBondContact N-OE2 3.26Å; E155-H620 IonicContact OE2-CE1 3.92Å; E155-H620 PolarHBondContact OE2-CE1 3.3Å
156	A	85.2	Confident	87	Confident	35 Å²	35	40 Å²	40	29%	0.289	20%	0.197	S	C	.	.	H	α-helix	trans	-58.3	-34.5	176.8	0	0	0	0	0	112.8	H66 S154 T160 Y584	H66-A156 PolarHBondContact CE1-O 2.88Å; S154-A156 VanDerWaalsContact C-N 3.26Å; S154-A156 PolarHBondContact O-N 3.45Å; A156-T160 PolarHBondContact O-N 3.3Å; A156-T160 PolarHBondContact O-OG1 3.19Å; A156-Y584 HydrophobicContact CB-CE2 4.01Å
157	Y	88	Confident	87.7	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-79.6	-37.2	177.6	-167.7	-125.2	0	0	0	112.3	V65 H66 M69 E139 L143 V153 S154 E155 L159 T160 L161	V65-Y157 VanDerWaalsContact CG1-OH 3.27Å; V65-Y157 WeakPolarHBondContact CG1-OH 3.4Å; H66-Y157 HydrophobicContact CB-CD2 3.83Å; H66-Y157 HydrophobicContact CB-CE2 4.06Å; H66-Y157 AromaticContact CD2-CD2 3.97Å; H66-Y157 AromaticContact CG-CD2 3.69Å; M69-Y157 HydrophobicContact CG-CE2 4.34Å; E139-Y157 WeakPolarHBondContact CG-OH 3.48Å; E139-Y157 PolarHBondContact OE1-OH 3.47Å; L143-Y157 HydrophobicContact CD1-CE1 4.14Å; V153-Y157 HydrophobicContact CG1-CD1 3.9Å; S154-Y157 WeakPolarHBondContact O-CA 3.42Å; S154-Y157 WeakPolarHBondContact O-CB 3.43Å; S154-Y157 PolarHBondContact O-N 3.1Å; S154-Y157 WeakPolarHBondContact OG-CB 3.37Å; E155-Y157 PolarHBondContact O-N 2.89Å; Y157-L159 VanDerWaalsContact C-N 3.31Å; Y157-L159 PolarHBondContact O-N 2.87Å; Y157-T160 PolarHBondContact O-N 2.99Å; Y157-L161 HydrophobicContact CD1-CD1 4.4Å; Y157-L161 HydrophobicContact CE1-CD1 4.31Å; Y157-L161 WeakPolarHBondContact O-CG 3.38Å; Y157-L161 PolarHBondContact O-N 3.47Å
158	L	91.5	Very high	88.5	Confident	14 Å²	14	32.1 Å²	32.1	7%	0.073	15%	0.149	C	C	.	.	H	α-helix	trans	-60	-41	171.4	-66.8	176.1	0	0	0	111.5	V153 S154 E155 L161 G162 L237 D240 I241 I244	V153-L158 HydrophobicContact CB-CD2 4.47Å; V153-L158 HydrophobicContact CG1-CD2 3.91Å; V153-L158 HydrophobicContact CG1-CG 4.12Å; S154-L158 PolarHBondContact O-N 3.45Å; E155-L158 PolarHBondContact O-N 2.93Å; L158-L161 PolarHBondContact O-N 3.29Å; L158-G162 PolarHBondContact O-N 3.19Å; L158-L237 HydrophobicContact CD2-CD1 3.78Å; L158-D240 HydrophobicContact CD1-CB 4.35Å; L158-D240 HydrophobicContact CD2-CB 4.43Å; L158-I241 HydrophobicContact CB-CG1 4.32Å; L158-I241 HydrophobicContact CD2-CG1 4.07Å; L158-I244 HydrophobicContact CB-CG2 4.02Å; L158-I244 HydrophobicContact CD1-CG2 4.45Å
159	L	91.5	Very high	89.1	Confident	32 Å²	32	27.1 Å²	27.1	17%	0.168	13%	0.131	C	C	.	.	H	α-helix	trans	-64.6	-38.6	174.6	-68.1	164.8	0	0	0	112.3	E155 Y157 G162 K163 I244 Y248 L263	E155-L159 VanDerWaalsContact O-CG 3.28Å; E155-L159 WeakPolarHBondContact O-CG 3.21Å; E155-L159 PolarHBondContact O-N 2.93Å; Y157-L159 VanDerWaalsContact C-N 3.31Å; Y157-L159 PolarHBondContact O-N 2.87Å; L159-G162 CarbonylContact O-C 3.58Å; L159-G162 WeakPolarHBondContact O-CA 3.3Å; L159-G162 PolarHBondContact O-N 3.06Å; L159-G162 VanDerWaalsContact O-N 3.17Å; L159-K163 WeakPolarHBondContact O-CG 3.29Å; L159-K163 PolarHBondContact O-N 3.14Å; L159-I244 HydrophobicContact CD2-CG2 4.34Å; L159-Y248 HydrophobicContact CD1-CD2 3.97Å; L159-Y248 HydrophobicContact CD1-CE2 3.29Å; L159-Y248 HydrophobicContact CD2-CD2 4.17Å; L159-Y248 HydrophobicContact CD2-CE2 4.31Å; L159-Y248 HydrophobicContact CG-CE2 4.36Å; L159-L263 HydrophobicContact CD2-CD2 4Å
160	T	91.2	Very high	90	Very high	5 Å²	5	22.3 Å²	22.3	3%	0.031	11%	0.114	C	C	.	.	H	α-helix	trans	-64.4	-42	173.3	-69.7	0	0	0	0	111.4	H66 M69 N70 L73 A156 Y157 G162 K163 F164	H66-T160 PolarHBondContact NE2-OG1 3.29Å; M69-T160 HydrophobicContact CB-CG2 4.17Å; N70-T160 WeakPolarHBondContact OD1-CG2 3.41Å; N70-T160 PolarHBondContact OD1-OG1 3.11Å; L73-T160 HydrophobicContact CD1-CG2 3.98Å; A156-T160 PolarHBondContact O-N 3.3Å; A156-T160 PolarHBondContact O-OG1 3.19Å; Y157-T160 PolarHBondContact O-N 2.99Å; T160-G162 VanDerWaalsContact C-N 3.28Å; T160-G162 PolarHBondContact O-N 3.07Å; T160-K163 WeakPolarHBondContact O-CB 3.48Å; T160-K163 PolarHBondContact O-N 3.08Å; T160-K163 VanDerWaalsContact O-N 3.12Å; T160-F164 HydrophobicContact CG2-CD2 4.43Å; T160-F164 HydrophobicContact CG2-CE2 4.38Å; T160-F164 WeakPolarHBondContact O-CD2 3.44Å; T160-F164 PolarHBondContact O-N 2.84Å
161	L	93.8	Very high	90.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.3	-35.1	170.9	-64.5	174.2	0	0	0	112	M69 F136 E139 L143 Y157 L158 F164 I165 L237 I241	M69-L161 HydrophobicContact CE-CD2 3.82Å; F136-L161 HydrophobicContact CD2-CD2 4.01Å; F136-L161 HydrophobicContact CE2-CB 4.11Å; F136-L161 HydrophobicContact CE2-CD2 3.88Å; E139-L161 HydrophobicContact CG-CD2 4.47Å; L143-L161 HydrophobicContact CD1-CD1 3.77Å; Y157-L161 HydrophobicContact CD1-CD1 4.4Å; Y157-L161 HydrophobicContact CE1-CD1 4.31Å; Y157-L161 WeakPolarHBondContact O-CG 3.38Å; Y157-L161 PolarHBondContact O-N 3.47Å; L158-L161 PolarHBondContact O-N 3.29Å; L161-F164 WeakPolarHBondContact O-CB 3.26Å; L161-F164 PolarHBondContact O-N 3.28Å; L161-I165 WeakPolarHBondContact O-CG1 3.44Å; L161-I165 PolarHBondContact O-N 3.24Å; L161-I165 VanDerWaalsContact O-N 3.12Å; L161-L237 HydrophobicContact CD1-CD2 4.38Å; L161-I241 HydrophobicContact CB-CD1 3.58Å; L161-I241 HydrophobicContact CB-CG1 4.37Å; L161-I241 HydrophobicContact CD1-CD1 4.41Å
162	G	93.8	Very high	91.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.3	-46.2	168.4	0	0	0	0	0	113	L158 L159 T160 F164 I165 N166 V266	L158-G162 PolarHBondContact O-N 3.19Å; L159-G162 CarbonylContact O-C 3.58Å; L159-G162 WeakPolarHBondContact O-CA 3.3Å; L159-G162 PolarHBondContact O-N 3.06Å; L159-G162 VanDerWaalsContact O-N 3.17Å; T160-G162 VanDerWaalsContact C-N 3.28Å; T160-G162 PolarHBondContact O-N 3.07Å; G162-F164 VanDerWaalsContact C-N 3.25Å; G162-F164 PolarHBondContact O-N 3.42Å; G162-I165 WeakPolarHBondContact O-CB 3.34Å; G162-I165 PolarHBondContact O-N 3.03Å; G162-I165 VanDerWaalsContact O-N 3.08Å; G162-N166 PolarHBondContact O-N 3.4Å; G162-V266 VanDerWaalsContact O-CG2 3.24Å; G162-V266 WeakPolarHBondContact O-CG2 3.34Å
163	K	93.5	Very high	92.2	Very high	95 Å²	95	16.1 Å²	16.1	41%	0.413	9%	0.085	S	C	.	.	H	α-helix	trans	-59.2	-35.3	174.6	-70.2	176.6	-179.2	-177.7	0	112	L73 L159 T160 N166 M167 M262	L73-K163 HydrophobicContact CD1-CB 3.64Å; L73-K163 HydrophobicContact CD1-CD 4.02Å; L73-K163 HydrophobicContact CD1-CG 4.5Å; L73-K163 HydrophobicContact CD2-CB 3.99Å; L159-K163 WeakPolarHBondContact O-CG 3.29Å; L159-K163 PolarHBondContact O-N 3.14Å; T160-K163 WeakPolarHBondContact O-CB 3.48Å; T160-K163 PolarHBondContact O-N 3.08Å; T160-K163 VanDerWaalsContact O-N 3.12Å; K163-N166 PolarHBondContact O-N 3.3Å; K163-M167 WeakPolarHBondContact O-CB 3.2Å; K163-M167 PolarHBondContact O-N 2.91Å; K163-M262 HydrophobicContact CG-CE 4.32Å; K163-M262 HydrophobicContact CG-CG 4.37Å; K163-M262 HydrophobicContact CG-SD 4.25Å
164	F	95.3	Very high	92.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.9	-46.7	172	-93.3	-101	0	0	0	112	M69 M72 L73 F136 T160 L161 G162 N166 M167 F168	M69-F164 HydrophobicContact CB-CE2 3.81Å; M69-F164 HydrophobicContact CB-CZ 4.14Å; M69-F164 HydrophobicContact CE-CD1 4.29Å; M69-F164 HydrophobicContact CE-CD2 3.92Å; M69-F164 HydrophobicContact CE-CE1 3.92Å; M69-F164 HydrophobicContact CE-CE2 3.54Å; M69-F164 HydrophobicContact CE-CG 4.28Å; M69-F164 HydrophobicContact CE-CZ 3.52Å; M69-F164 WeakPolarHBondContact O-CE2 3.46Å; M69-F164 VanDerWaalsContact O-CZ 3.31Å; M69-F164 WeakPolarHBondContact O-CZ 3.28Å; M69-F164 HydrophobicContact SD-CE1 4.42Å; M69-F164 HydrophobicContact SD-CE2 4.17Å; M69-F164 HydrophobicContact SD-CZ 3.8Å; M72-F164 HydrophobicContact CB-CE1 4.47Å; M72-F164 HydrophobicContact CB-CZ 3.95Å; M72-F164 HydrophobicContact CG-CE1 3.98Å; M72-F164 HydrophobicContact CG-CZ 3.97Å; M72-F164 HydrophobicContact SD-CE1 3.77Å; M72-F164 HydrophobicContact SD-CZ 4.03Å; L73-F164 HydrophobicContact CD1-CD2 4.12Å; L73-F164 HydrophobicContact CD1-CE2 4.09Å; L73-F164 HydrophobicContact CD2-CB 4.47Å; L73-F164 HydrophobicContact CD2-CD2 3.5Å; L73-F164 HydrophobicContact CD2-CE2 3.77Å; L73-F164 HydrophobicContact CD2-CG 3.96Å; L73-F164 HydrophobicContact CD2-CZ 4.45Å; L73-F164 HydrophobicContact CG-CD2 3.76Å; L73-F164 HydrophobicContact CG-CE2 3.56Å; L73-F164 HydrophobicContact CG-CZ 4.31Å; F136-F164 HydrophobicContact CB-CD1 4.21Å; F136-F164 HydrophobicContact CD2-CB 3.58Å; F136-F164 HydrophobicContact CD2-CD1 4.04Å; F136-F164 AromaticContact CD2-CG 3.93Å; F136-F164 HydrophobicContact CD2-CG 3.93Å; F136-F164 HydrophobicContact CE2-CB 3.75Å; F136-F164 HydrophobicContact CG-CD1 4.49Å; T160-F164 HydrophobicContact CG2-CD2 4.43Å; T160-F164 HydrophobicContact CG2-CE2 4.38Å; T160-F164 WeakPolarHBondContact O-CD2 3.44Å; T160-F164 PolarHBondContact O-N 2.84Å; L161-F164 WeakPolarHBondContact O-CB 3.26Å; L161-F164 PolarHBondContact O-N 3.28Å; G162-F164 VanDerWaalsContact C-N 3.25Å; G162-F164 PolarHBondContact O-N 3.42Å; F164-N166 VanDerWaalsContact C-N 3.33Å; F164-N166 PolarHBondContact O-N 3.13Å; F164-M167 HydrophobicContact CD1-CE 3.75Å; F164-M167 HydrophobicContact CE1-CE 4.02Å; F164-M167 HydrophobicContact CG-CE 4.46Å; F164-M167 WeakPolarHBondContact O-CB 3.27Å; F164-M167 PolarHBondContact O-N 2.99Å; F164-M167 VanDerWaalsContact O-N 3.12Å; F164-F168 HydrophobicContact CB-CE2 4.2Å; F164-F168 HydrophobicContact CD1-CE2 4.18Å; F164-F168 HydrophobicContact CD1-CZ 4.02Å; F164-F168 WeakPolarHBondContact O-CD2 3.4Å; F164-F168 WeakPolarHBondContact O-CG 3.35Å; F164-F168 PolarHBondContact O-N 3Å
165	I	94	Very high	93.1	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-55.1	-50	175.2	-68.3	164.7	0	0	0	109.9	F136 L161 G162 M167 F168 A169 L238 I241 F269 L273	F136-I165 HydrophobicContact CE1-CG1 4.43Å; F136-I165 HydrophobicContact CE2-CG1 4.23Å; F136-I165 HydrophobicContact CZ-CD1 4.08Å; F136-I165 HydrophobicContact CZ-CG1 3.66Å; L161-I165 WeakPolarHBondContact O-CG1 3.44Å; L161-I165 PolarHBondContact O-N 3.24Å; L161-I165 VanDerWaalsContact O-N 3.12Å; G162-I165 WeakPolarHBondContact O-CB 3.34Å; G162-I165 PolarHBondContact O-N 3.03Å; G162-I165 VanDerWaalsContact O-N 3.08Å; I165-M167 PolarHBondContact O-N 3.46Å; I165-F168 PolarHBondContact O-N 2.97Å; I165-A169 PolarHBondContact O-N 2.84Å; I165-L238 HydrophobicContact CD1-CD2 3.6Å; I165-I241 HydrophobicContact CD1-CD1 3.97Å; I165-I241 HydrophobicContact CD1-CG2 4.31Å; I165-F269 HydrophobicContact CG2-CB 4.12Å; I165-F269 HydrophobicContact CG2-CD1 3.42Å; I165-F269 VanDerWaalsContact CG2-CD1 3.42Å; I165-F269 HydrophobicContact CG2-CE1 4.22Å; I165-F269 HydrophobicContact CG2-CG 4.12Å; I165-F269 WeakPolarHBondContact O-CD1 3.24Å; I165-F269 WeakPolarHBondContact O-CE1 3.14Å; I165-L273 HydrophobicContact CG1-CD1 4.45Å; I165-L273 HydrophobicContact CG2-CD1 4Å
166	N	93.9	Very high	93.3	Very high	13 Å²	13	14 Å²	14	7%	0.07	7%	0.073	C	C	.	.	H	α-helix	trans	-62.8	-39.2	175.3	175.4	92.1	0	0	0	113.2	G162 K163 F164 F168 A169 V170 M262 K265 V266	G162-N166 PolarHBondContact O-N 3.4Å; K163-N166 PolarHBondContact O-N 3.3Å; F164-N166 VanDerWaalsContact C-N 3.33Å; F164-N166 PolarHBondContact O-N 3.13Å; N166-F168 VanDerWaalsContact C-N 3.32Å; N166-F168 PolarHBondContact O-N 2.92Å; N166-A169 PolarHBondContact O-N 3.42Å; N166-V170 WeakPolarHBondContact O-CG2 3.41Å; N166-V170 PolarHBondContact O-N 3.3Å; N166-M262 HydrophobicContact CB-CE 4.44Å; N166-M262 HydrophobicContact CB-SD 3.47Å; N166-M262 WeakPolarHBondContact CB-SD 3.44Å; N166-K265 WeakPolarHBondContact OD1-CB 3.33Å; N166-K265 WeakPolarHBondContact OD1-CD 3.35Å; N166-K265 VanDerWaalsContact OD1-CE 3.25Å; N166-K265 WeakPolarHBondContact OD1-CE 3.37Å; N166-V266 HydrophobicContact CB-CG2 4.13Å
167	M	96	Very high	93.4	Very high	13 Å²	13	13.4 Å²	13.4	6%	0.064	7%	0.065	C	C	.	.	H	α-helix	trans	-58.7	-43.2	177	179.8	-170.2	72.3	0	0	111.2	L73 F128 A132 K163 F164 I165 V170 L171	L73-M167 HydrophobicContact CD2-CB 4.13Å; L73-M167 HydrophobicContact CD2-SD 3.9Å; F128-M167 HydrophobicContact CE1-CE 4.43Å; F128-M167 HydrophobicContact CE1-SD 4.41Å; F128-M167 HydrophobicContact CZ-CE 4.21Å; F128-M167 HydrophobicContact CZ-SD 4.07Å; A132-M167 HydrophobicContact CB-CE 4.14Å; K163-M167 WeakPolarHBondContact O-CB 3.2Å; K163-M167 PolarHBondContact O-N 2.91Å; F164-M167 HydrophobicContact CD1-CE 3.75Å; F164-M167 HydrophobicContact CE1-CE 4.02Å; F164-M167 HydrophobicContact CG-CE 4.46Å; F164-M167 WeakPolarHBondContact O-CB 3.27Å; F164-M167 PolarHBondContact O-N 2.99Å; F164-M167 VanDerWaalsContact O-N 3.12Å; I165-M167 PolarHBondContact O-N 3.46Å; M167-V170 PolarHBondContact O-N 3.37Å; M167-L171 HydrophobicContact CG-CD1 3.84Å; M167-L171 HydrophobicContact CG-CG 4.41Å; M167-L171 WeakPolarHBondContact O-CB 3.38Å; M167-L171 VanDerWaalsContact O-CG 3.28Å; M167-L171 WeakPolarHBondContact O-CG 3.47Å; M167-L171 PolarHBondContact O-N 3.35Å
168	F	96.4	Very high	93.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.1	-42.1	176	-62.5	-54.2	0	0	0	112.2	A132 I133 F136 F164 I165 N166 L171 D172 I220 L224 F269	A132-F168 HydrophobicContact CB-CE1 3.84Å; A132-F168 HydrophobicContact CB-CZ 4.2Å; I133-F168 HydrophobicContact CB-CE1 4.49Å; I133-F168 HydrophobicContact CG1-CD1 4.02Å; I133-F168 HydrophobicContact CG1-CE1 3.57Å; I133-F168 HydrophobicContact CG1-CZ 3.98Å; F136-F168 HydrophobicContact CB-CE2 4.02Å; F136-F168 HydrophobicContact CB-CZ 4Å; F136-F168 AromaticContact CD1-CE2 4Å; F136-F168 HydrophobicContact CD1-CE2 4Å; F136-F168 HydrophobicContact CD2-CE2 4.32Å; F136-F168 AromaticContact CG-CE2 3.86Å; F136-F168 HydrophobicContact CG-CE2 3.86Å; F136-F168 HydrophobicContact CG-CZ 4.35Å; F164-F168 HydrophobicContact CB-CE2 4.2Å; F164-F168 HydrophobicContact CD1-CE2 4.18Å; F164-F168 HydrophobicContact CD1-CZ 4.02Å; F164-F168 WeakPolarHBondContact O-CD2 3.4Å; F164-F168 WeakPolarHBondContact O-CG 3.35Å; F164-F168 PolarHBondContact O-N 3Å; I165-F168 PolarHBondContact O-N 2.97Å; N166-F168 VanDerWaalsContact C-N 3.32Å; N166-F168 PolarHBondContact O-N 2.92Å; F168-L171 PolarHBondContact O-N 3.21Å; F168-D172 WeakPolarHBondContact O-CB 3.47Å; F168-D172 PolarHBondContact O-N 3.13Å; F168-I220 HydrophobicContact CB-CG2 4.08Å; F168-I220 HydrophobicContact CD1-CG2 3.89Å; F168-I220 HydrophobicContact CG-CG2 4.37Å; F168-L224 HydrophobicContact CB-CD2 4.03Å; F168-L224 HydrophobicContact CD2-CD1 4.14Å; F168-L224 HydrophobicContact CD2-CD2 3.57Å; F168-L224 HydrophobicContact CD2-CG 4.47Å; F168-L224 HydrophobicContact CE2-CD1 4.05Å; F168-L224 HydrophobicContact CE2-CD2 4.31Å; F168-L224 HydrophobicContact CG-CD2 4.01Å; F168-F269 HydrophobicContact CB-CE1 4.36Å
169	A	93.6	Very high	93.6	Very high	3 Å²	3	16.3 Å²	16.3	3%	0.025	9%	0.085	C	C	.	.	H	α-helix	trans	-62	-47.2	174.9	0	0	0	0	0	112.5	I165 N166 L171 D172 E173 F269	I165-A169 PolarHBondContact O-N 2.84Å; N166-A169 PolarHBondContact O-N 3.42Å; A169-L171 PolarHBondContact O-N 2.76Å; A169-D172 PolarHBondContact O-N 2.93Å; A169-E173 WeakPolarHBondContact O-CB 3.27Å; A169-E173 WeakPolarHBondContact O-CG 3.43Å; A169-E173 PolarHBondContact O-N 2.91Å; A169-F269 HydrophobicContact CB-CD1 3.67Å; A169-F269 HydrophobicContact CB-CE1 3.81Å; A169-F269 HydrophobicContact CB-CG 4.12Å; A169-F269 HydrophobicContact CB-CZ 4.34Å
170	V	94.7	Very high	93.8	Very high	9 Å²	9	15 Å²	15	6%	0.055	8%	0.079	C	C	.	.	H	α-helix	trans	-57.5	-48.9	176.9	167.5	0	0	0	0	110.9	A80 N166 M167 L174 L307 F308	A80-V170 HydrophobicContact CB-CG1 3.83Å; N166-V170 WeakPolarHBondContact O-CG2 3.41Å; N166-V170 PolarHBondContact O-N 3.3Å; M167-V170 PolarHBondContact O-N 3.37Å; V170-L174 HydrophobicContact CG1-CD1 3.71Å; V170-L174 HydrophobicContact CG1-CG 4.4Å; V170-L174 VanDerWaalsContact O-CB 3.27Å; V170-L174 WeakPolarHBondContact O-CB 3.35Å; V170-L174 WeakPolarHBondContact O-CG 3.24Å; V170-L174 PolarHBondContact O-N 3.13Å; V170-L307 HydrophobicContact CG2-CD1 3.58Å; V170-L307 HydrophobicContact CG2-CG 4.13Å; V170-F308 HydrophobicContact CG1-CB 4.06Å; V170-F308 HydrophobicContact CG1-CD2 3.75Å; V170-F308 HydrophobicContact CG1-CG 4.17Å
171	L	96.3	Very high	93.9	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-68.4	-36.6	-177.4	-69.7	172.3	0	0	0	113	A80 L83 F125 F128 M167 F168 A169 K175 I220	A80-L171 HydrophobicContact CB-CD2 3.96Å; L83-L171 HydrophobicContact CD1-CD2 4.07Å; F125-L171 HydrophobicContact CE2-CB 4.28Å; F125-L171 HydrophobicContact CE2-CD1 4.32Å; F125-L171 HydrophobicContact CE2-CD2 3.98Å; F125-L171 HydrophobicContact CE2-CG 4.42Å; F125-L171 HydrophobicContact CZ-CB 4.42Å; F128-L171 HydrophobicContact CD1-CD1 4.49Å; F128-L171 HydrophobicContact CE1-CD1 3.86Å; M167-L171 HydrophobicContact CG-CD1 3.84Å; M167-L171 HydrophobicContact CG-CG 4.41Å; M167-L171 WeakPolarHBondContact O-CB 3.38Å; M167-L171 VanDerWaalsContact O-CG 3.28Å; M167-L171 WeakPolarHBondContact O-CG 3.47Å; M167-L171 PolarHBondContact O-N 3.35Å; F168-L171 PolarHBondContact O-N 3.21Å; A169-L171 PolarHBondContact O-N 2.76Å; L171-K175 WeakPolarHBondContact O-CB 3.2Å; L171-K175 PolarHBondContact O-N 3.43Å; L171-I220 HydrophobicContact CB-CD1 3.93Å
172	D	95.2	Very high	93.9	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-74.2	-42.2	179.2	-145.1	11.1	0	0	0	111.5	F168 A169 K175 N176 N218 R219 I220 T221	F168-D172 WeakPolarHBondContact O-CB 3.47Å; F168-D172 PolarHBondContact O-N 3.13Å; A169-D172 PolarHBondContact O-N 2.93Å; D172-K175 CarbonylContact O-C 3.57Å; D172-K175 WeakPolarHBondContact O-CB 3.34Å; D172-K175 PolarHBondContact O-N 3.26Å; D172-K175 IonicContact OD1-NZ 3.91Å; D172-K175 PolarHBondContact OD1-NZ 2.69Å; D172-K175 VanDerWaalsContact OD1-NZ 3.08Å; D172-N176 VanDerWaalsContact O-CB 3.25Å; D172-N176 WeakPolarHBondContact O-CB 3.28Å; D172-N176 PolarHBondContact O-N 2.91Å; D172-N176 PolarHBondContact O-ND2 3.38Å; D172-N176 PolarHBondContact O-OD1 2.88Å; D172-N218 WeakPolarHBondContact OD2-CA 3.35Å; D172-R219 PolarHBondContact OD1-N 2.99Å; D172-R219 PolarHBondContact OD2-N 2.96Å; D172-I220 HydrophobicContact CB-CB 3.86Å; D172-I220 HydrophobicContact CB-CD1 4.29Å; D172-I220 HydrophobicContact CB-CG1 4.33Å; D172-I220 PolarHBondContact OD1-N 2.86Å; D172-I220 PolarHBondContact OD2-N 2.86Å; D172-I220 VanDerWaalsContact OD2-N 3.15Å; D172-T221 VanDerWaalsContact OD2-CB 3.26Å; D172-T221 WeakPolarHBondContact OD2-CB 3.29Å; D172-T221 PolarHBondContact OD2-N 3.33Å; D172-T221 PolarHBondContact OD2-OG1 3.03Å
173	E	93.2	Very high	93.9	Very high	35 Å²	35	22.6 Å²	22.6	16%	0.164	12%	0.115	C	C	.	.	H	α-helix	trans	-69.1	-38.4	178	-66.3	-69.7	-166.9	0	0	112	A169 K175 N176 M177 L307 M311 R317	A169-E173 WeakPolarHBondContact O-CB 3.27Å; A169-E173 WeakPolarHBondContact O-CG 3.43Å; A169-E173 PolarHBondContact O-N 2.91Å; E173-K175 PolarHBondContact O-N 3.49Å; E173-N176 WeakPolarHBondContact O-CB 3.39Å; E173-N176 PolarHBondContact O-N 3.1Å; E173-N176 PolarHBondContact OE2-ND2 3.36Å; E173-M177 WeakPolarHBondContact O-CG 3.27Å; E173-M177 PolarHBondContact O-N 3.49Å; E173-L307 HydrophobicContact CB-CD2 3.86Å; E173-L307 HydrophobicContact CG-CD2 4Å; E173-M311 HydrophobicContact CB-CE 4.02Å; E173-M311 HydrophobicContact CB-SD 4.15Å; E173-R317 IonicContact OE1-CZ 3.28Å; E173-R317 IonicContact OE1-NE 3.49Å; E173-R317 IonicContact OE1-NH2 2.79Å; E173-R317 PolarHBondContact OE1-NH2 3.37Å; E173-R317 IonicContact OE2-NH2 3.93Å; E173-R317 PolarHBondContact OE2-NH2 2.98Å
174	L	94.5	Very high	94	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.9	-41.3	170.3	-73.5	174.2	0	0	0	112	A80 L83 Y84 V170 M177 K178 F308 M311	A80-L174 HydrophobicContact CB-CD1 3.75Å; A80-L174 WeakPolarHBondContact O-CD1 3.45Å; L83-L174 HydrophobicContact CB-CB 3.91Å; L83-L174 HydrophobicContact CB-CD1 4.35Å; L83-L174 HydrophobicContact CD1-CB 3.93Å; Y84-L174 HydrophobicContact CD2-CD2 3.93Å; Y84-L174 HydrophobicContact CG-CD2 4.45Å; V170-L174 HydrophobicContact CG1-CD1 3.71Å; V170-L174 HydrophobicContact CG1-CG 4.4Å; V170-L174 VanDerWaalsContact O-CB 3.27Å; V170-L174 WeakPolarHBondContact O-CB 3.35Å; V170-L174 WeakPolarHBondContact O-CG 3.24Å; V170-L174 PolarHBondContact O-N 3.13Å; L174-M177 HydrophobicContact CD2-CE 3.5Å; L174-K178 WeakPolarHBondContact O-CB 3.18Å; L174-K178 WeakPolarHBondContact O-CG 3.33Å; L174-K178 PolarHBondContact O-N 3.5Å; L174-F308 HydrophobicContact CD1-CB 4.32Å; L174-F308 HydrophobicContact CD1-CD1 4.08Å; L174-F308 HydrophobicContact CD1-CD2 4.43Å; L174-F308 HydrophobicContact CD1-CG 4.02Å; L174-F308 HydrophobicContact CD2-CB 4.41Å; L174-F308 HydrophobicContact CD2-CD1 4.23Å; L174-M311 HydrophobicContact CD2-CE 3.54Å; L174-M311 HydrophobicContact CD2-SD 4.33Å; L174-M311 HydrophobicContact CG-CE 3.68Å
175	K	95.1	Very high	93.9	Very high	14 Å²	14	18.3 Å²	18.3	6%	0.061	10%	0.096	C	C	.	.	H	α-helix	trans	-65.4	-39.1	174.1	-179.8	-167.5	121.3	-69.2	0	111.8	L83 F125 L171 D172 E173 F213 N216	L83-K175 HydrophobicContact CD1-CB 4.47Å; F125-K175 HydrophobicContact CE1-CD 4.36Å; F125-K175 HydrophobicContact CE1-CG 4.44Å; L171-K175 WeakPolarHBondContact O-CB 3.2Å; L171-K175 PolarHBondContact O-N 3.43Å; D172-K175 CarbonylContact O-C 3.57Å; D172-K175 WeakPolarHBondContact O-CB 3.34Å; D172-K175 PolarHBondContact O-N 3.26Å; D172-K175 IonicContact OD1-NZ 3.91Å; D172-K175 PolarHBondContact OD1-NZ 2.69Å; D172-K175 VanDerWaalsContact OD1-NZ 3.08Å; E173-K175 PolarHBondContact O-N 3.49Å; K175-F213 HydrophobicContact CD-CE1 3.92Å; K175-F213 HydrophobicContact CD-CE2 3.99Å; K175-F213 HydrophobicContact CD-CZ 3.57Å; K175-F213 VanDerWaalsContact CE-O 3.22Å; K175-F213 WeakPolarHBondContact CE-O 3.33Å; K175-N216 WeakPolarHBondContact CE-O 3.22Å; K175-N216 PolarHBondContact NZ-O 3.45Å
176	N	92.4	Very high	93.8	Very high	21 Å²	21	20.7 Å²	20.7	11%	0.112	11%	0.113	C	C	.	.	H	α-helix	trans	-65.8	-41.5	-178.7	-77.6	-19	0	0	0	111.8	D172 E173 H217 N218	D172-N176 VanDerWaalsContact O-CB 3.25Å; D172-N176 WeakPolarHBondContact O-CB 3.28Å; D172-N176 PolarHBondContact O-N 2.91Å; D172-N176 PolarHBondContact O-ND2 3.38Å; D172-N176 PolarHBondContact O-OD1 2.88Å; E173-N176 WeakPolarHBondContact O-CB 3.39Å; E173-N176 PolarHBondContact O-N 3.1Å; E173-N176 PolarHBondContact OE2-ND2 3.36Å; N176-H217 VanDerWaalsContact CB-CE1 3.48Å; N176-H217 WeakPolarHBondContact CB-CE1 3.32Å; N176-H217 VanDerWaalsContact CG-CE1 3.47Å; N176-H217 PolarHBondContact OD1-ND1 3.46Å; N176-N218 PolarHBondContact ND2-OD1 3.38Å; N176-N218 PolarHBondContact OD1-N 3.36Å
177	M	88.3	Confident	93.8	Very high	24 Å²	24	20.5 Å²	20.5	12%	0.118	11%	0.113	C	C	.	.	H	α-helix	trans	-78.8	-34	-178.8	70.5	88.8	165.2	0	0	113.2	Y84 E173 L174 C179 M311 F650 E653	Y84-M177 HydrophobicContact CD2-CE 4.24Å; E173-M177 WeakPolarHBondContact O-CG 3.27Å; E173-M177 PolarHBondContact O-N 3.49Å; L174-M177 HydrophobicContact CD2-CE 3.5Å; M177-C179 VanDerWaalsContact C-N 3.35Å; M177-C179 PolarHBondContact O-N 2.9Å; M177-M311 HydrophobicContact CG-SD 4.03Å; M177-F650 HydrophobicContact CB-CD2 4.06Å; M177-F650 HydrophobicContact CB-CE2 4.13Å; M177-F650 HydrophobicContact CE-CB 4.19Å; M177-F650 HydrophobicContact CE-CD2 4.4Å; M177-F650 HydrophobicContact CG-CD2 3.94Å; M177-F650 HydrophobicContact CG-CE2 4.46Å; M177-F650 HydrophobicContact SD-CB 4.5Å; M177-F650 HydrophobicContact SD-CD2 3.98Å; M177-E653 WeakPolarHBondContact O-CG 3.09Å; M177-E653 HydrophobicContact SD-CB 4.28Å; M177-E653 HydrophobicContact SD-CG 4.14Å
178	K	92.3	Very high	93.7	Very high	6 Å²	6	20.9 Å²	20.9	3%	0.026	11%	0.114	C	C	.	.			trans	-74.1	79	-179.3	-72.3	-62	-174.1	177.9	0	114	L83 Y84 W86 L174 S180 V181 E653	L83-K178 WeakPolarHBondContact O-CE 3.37Å; L83-K178 WeakPolarHBondContact O-CG 3.44Å; Y84-K178 WeakPolarHBondContact O-CE 3.46Å; Y84-K178 PolarHBondContact O-NZ 3.31Å; W86-K178 VanDerWaalsContact O-CE 3.31Å; W86-K178 WeakPolarHBondContact O-CE 3.32Å; W86-K178 PolarHBondContact O-NZ 2.97Å; L174-K178 WeakPolarHBondContact O-CB 3.18Å; L174-K178 WeakPolarHBondContact O-CG 3.33Å; L174-K178 PolarHBondContact O-N 3.5Å; K178-S180 PolarHBondContact O-N 2.74Å; K178-V181 HydrophobicContact CB-CB 4.23Å; K178-V181 HydrophobicContact CB-CG2 3.81Å; K178-V181 HydrophobicContact CG-CG2 4.47Å; K178-V181 PolarHBondContact O-N 3.23Å; K178-E653 HydrophobicContact CD-CB 4.48Å; K178-E653 HydrophobicContact CD-CG 4.04Å; K178-E653 WeakPolarHBondContact CD-OE2 3.45Å; K178-E653 IonicContact NZ-OE2 3.22Å
179	C	91.7	Very high	93.4	Very high	71 Å²	71	22.6 Å²	22.6	48%	0.48	12%	0.122	S	C	.	.	H	α-helix	trans	-57.8	-34	165.1	-67.6	0	0	0	0	112	M177 V181 K182 N183 E653	M177-C179 VanDerWaalsContact C-N 3.35Å; M177-C179 PolarHBondContact O-N 2.9Å; C179-V181 VanDerWaalsContact C-N 3.32Å; C179-V181 PolarHBondContact O-N 2.94Å; C179-K182 PolarHBondContact O-N 3.28Å; C179-N183 WeakPolarHBondContact O-CB 3.48Å; C179-N183 VanDerWaalsContact O-CG 3.22Å; C179-N183 PolarHBondContact O-N 3.19Å; C179-N183 PolarHBondContact O-ND2 2.67Å; C179-E653 WeakPolarHBondContact CA-OE1 3.05Å; C179-E653 WeakPolarHBondContact CB-OE1 3.31Å; C179-E653 PolarHBondContact N-OE1 3.49Å
180	S	94.3	Very high	93.3	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-48.1	-49	172.9	-68.7	0	0	0	0	112.8	S88 K178 K182 N183 D184 E653	S88-S180 WeakPolarHBondContact CB-OG 3.48Å; K178-S180 PolarHBondContact O-N 2.74Å; S180-K182 PolarHBondContact O-N 3.1Å; S180-N183 PolarHBondContact O-N 3.5Å; S180-D184 WeakPolarHBondContact O-CB 3.37Å; S180-D184 PolarHBondContact O-N 2.95Å; S180-E653 WeakPolarHBondContact CB-OE2 3.49Å; S180-E653 PolarHBondContact N-OE1 2.82Å; S180-E653 VanDerWaalsContact OG-CD 3.24Å; S180-E653 PolarHBondContact OG-OE1 2.92Å; S180-E653 VanDerWaalsContact OG-OE1 3.09Å; S180-E653 PolarHBondContact OG-OE2 3.4Å
181	V	93.9	Very high	93.2	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	15%	0.145	C	C	.	.	H	α-helix	trans	-59.6	-46.3	179.4	168.1	0	0	0	0	111.8	L83 W86 L122 K178 C179 H185 L214	L83-V181 HydrophobicContact CD2-CG2 4.24Å; W86-V181 HydrophobicContact CB-CG2 3.94Å; W86-V181 HydrophobicContact CD2-CG2 3.61Å; W86-V181 HydrophobicContact CE3-CG2 4.12Å; W86-V181 HydrophobicContact CG-CG2 3.5Å; W86-V181 VanDerWaalsContact CG-CG2 3.5Å; L122-V181 HydrophobicContact CD1-CG1 3.79Å; L122-V181 HydrophobicContact CD2-CG1 3.52Å; L122-V181 HydrophobicContact CD2-CG2 4.49Å; L122-V181 HydrophobicContact CG-CG1 4.3Å; K178-V181 HydrophobicContact CB-CB 4.23Å; K178-V181 HydrophobicContact CB-CG2 3.81Å; K178-V181 HydrophobicContact CG-CG2 4.47Å; K178-V181 PolarHBondContact O-N 3.23Å; C179-V181 VanDerWaalsContact C-N 3.32Å; C179-V181 PolarHBondContact O-N 2.94Å; V181-H185 PolarHBondContact O-N 2.97Å; V181-L214 HydrophobicContact CG1-CD1 4.15Å; V181-L214 HydrophobicContact CG1-CD2 3.74Å
182	K	93	Very high	92.9	Very high	97 Å²	97	29.3 Å²	29.3	42%	0.422	15%	0.145	S	C	.	.	H	α-helix	trans	-65.3	-40.9	178.8	177.8	-179.2	174.2	-179.2	0	111.8	C179 S180 S186	C179-K182 PolarHBondContact O-N 3.28Å; S180-K182 PolarHBondContact O-N 3.1Å; K182-S186 WeakPolarHBondContact O-CB 3.18Å; K182-S186 PolarHBondContact O-N 3.21Å; K182-S186 VanDerWaalsContact O-N 3.11Å; K182-S186 PolarHBondContact O-OG 3.06Å
183	N	93.6	Very high	92.6	Very high	66 Å²	66	34.5 Å²	34.5	35%	0.353	17%	0.169	S	C	.	.	H	α-helix	trans	-70.6	-42.4	-178.4	-69.7	-20.7	0	0	0	111.9	C179 S180 S186 A187	C179-N183 WeakPolarHBondContact O-CB 3.48Å; C179-N183 VanDerWaalsContact O-CG 3.22Å; C179-N183 PolarHBondContact O-N 3.19Å; C179-N183 PolarHBondContact O-ND2 2.67Å; S180-N183 PolarHBondContact O-N 3.5Å; N183-S186 CarbonylContact O-C 3.4Å; N183-S186 WeakPolarHBondContact O-CB 3.32Å; N183-S186 PolarHBondContact O-N 2.94Å; N183-S186 VanDerWaalsContact O-N 3.15Å; N183-A187 PolarHBondContact O-N 3.41Å
184	D	95.2	Very high	92.4	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-64.3	-47.3	178.5	-67.9	-5.9	0	0	0	111.2	W86 S88 C89 S90 L115 S180 S186 A187 Y188	W86-D184 PolarHBondContact NE1-OD2 3.32Å; S88-D184 WeakPolarHBondContact CA-OD2 3.12Å; S88-D184 PolarHBondContact OG-OD1 3.45Å; C89-D184 PolarHBondContact N-OD1 3.02Å; C89-D184 PolarHBondContact N-OD2 3.19Å; S90-D184 WeakPolarHBondContact CB-OD1 3.28Å; S90-D184 PolarHBondContact N-OD1 2.98Å; S90-D184 PolarHBondContact OG-OD1 3.28Å; L115-D184 HydrophobicContact CD2-CB 4.14Å; S180-D184 WeakPolarHBondContact O-CB 3.37Å; S180-D184 PolarHBondContact O-N 2.95Å; D184-S186 VanDerWaalsContact C-N 3.25Å; D184-S186 PolarHBondContact O-N 3Å; D184-A187 WeakPolarHBondContact O-CB 3.27Å; D184-A187 PolarHBondContact O-N 3.28Å; D184-A187 VanDerWaalsContact O-N 3.08Å; D184-Y188 PolarHBondContact O-N 2.91Å
185	H	93.8	Very high	92.2	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.019	19%	0.188	C	C	.	.	H	α-helix	trans	-58.5	-37.2	171.9	174.9	-114.8	0	0	0	112.4	V119 L122 V181 A187 Y188 K189 S211 L214	V119-H185 HydrophobicContact CG2-CB 4.47Å; L122-H185 HydrophobicContact CD1-CB 4.21Å; V181-H185 PolarHBondContact O-N 2.97Å; H185-A187 VanDerWaalsContact C-N 3.35Å; H185-Y188 PolarHBondContact O-N 2.86Å; H185-K189 WeakPolarHBondContact O-CB 3.42Å; H185-K189 PolarHBondContact O-N 2.89Å; H185-S211 PolarHBondContact CE1-OG 2.94Å; H185-L214 HydrophobicContact CB-CD1 3.8Å
186	S	92.7	Very high	91.8	Very high	52 Å²	52	48.3 Å²	48.3	36%	0.364	23%	0.225	S	C	.	.	H	α-helix	trans	-71.7	-26	177	-57.4	0	0	0	0	113.3	K182 N183 D184 R190	K182-S186 WeakPolarHBondContact O-CB 3.18Å; K182-S186 PolarHBondContact O-N 3.21Å; K182-S186 VanDerWaalsContact O-N 3.11Å; K182-S186 PolarHBondContact O-OG 3.06Å; N183-S186 CarbonylContact O-C 3.4Å; N183-S186 WeakPolarHBondContact O-CB 3.32Å; N183-S186 PolarHBondContact O-N 2.94Å; N183-S186 VanDerWaalsContact O-N 3.15Å; D184-S186 VanDerWaalsContact C-N 3.25Å; D184-S186 PolarHBondContact O-N 3Å; S186-R190 WeakPolarHBondContact O-CG 3.47Å; S186-R190 PolarHBondContact O-N 2.95Å; S186-R190 PolarHBondContact O-NE 2.73Å; S186-R190 VanDerWaalsContact O-NE 3.12Å
187	A	93.2	Very high	91	Very high	9 Å²	9	52.7 Å²	52.7	7%	0.074	24%	0.243	C	C	.	.	H	α-helix	trans	-73.3	-47.7	170.6	0	0	0	0	0	111	L115 N183 D184 H185 K189 R190 A191	L115-A187 HydrophobicContact CD1-CB 3.91Å; N183-A187 PolarHBondContact O-N 3.41Å; D184-A187 WeakPolarHBondContact O-CB 3.27Å; D184-A187 PolarHBondContact O-N 3.28Å; D184-A187 VanDerWaalsContact O-N 3.08Å; H185-A187 VanDerWaalsContact C-N 3.35Å; A187-K189 PolarHBondContact O-N 3.27Å; A187-R190 PolarHBondContact O-N 2.79Å; A187-A191 PolarHBondContact O-N 2.83Å; A187-A191 VanDerWaalsContact O-N 3.08Å
188	Y	93.8	Very high	90.1	Very high	20 Å²	20	53.1 Å²	53.1	8%	0.078	25%	0.245	C	C	.	.	H	α-helix	trans	-55.2	-51.1	173.4	171.5	-97.3	0	0	0	112	V112 L115 E116 V119 D184 H185 R190 A191 A192 M198	V112-Y188 HydrophobicContact CG1-CE2 4.02Å; V112-Y188 HydrophobicContact CG2-CD2 4.47Å; V112-Y188 HydrophobicContact CG2-CE2 4.48Å; L115-Y188 HydrophobicContact CB-CD2 4.05Å; L115-Y188 HydrophobicContact CB-CG 4.39Å; E116-Y188 HydrophobicContact CB-CD2 4.45Å; E116-Y188 HydrophobicContact CB-CE2 3.75Å; E116-Y188 HydrophobicContact CG-CE2 4.14Å; E116-Y188 PolarHBondContact OE1-OH 3.32Å; V119-Y188 HydrophobicContact CB-CD1 4.24Å; V119-Y188 HydrophobicContact CB-CE1 4.43Å; V119-Y188 HydrophobicContact CB-CG 4.4Å; V119-Y188 HydrophobicContact CG1-CD1 4.01Å; V119-Y188 HydrophobicContact CG1-CE1 3.98Å; V119-Y188 HydrophobicContact CG2-CD1 3.82Å; V119-Y188 HydrophobicContact CG2-CD2 4.34Å; V119-Y188 HydrophobicContact CG2-CE1 4.49Å; V119-Y188 HydrophobicContact CG2-CG 3.73Å; D184-Y188 PolarHBondContact O-N 2.91Å; H185-Y188 PolarHBondContact O-N 2.86Å; Y188-R190 VanDerWaalsContact C-N 3.32Å; Y188-R190 PolarHBondContact O-N 3.09Å; Y188-A191 PolarHBondContact O-N 3.27Å; Y188-A191 VanDerWaalsContact O-N 3.09Å; Y188-A192 HydrophobicContact CE1-CB 4.36Å; Y188-A192 WeakPolarHBondContact O-CB 3.38Å; Y188-A192 PolarHBondContact O-N 3.09Å; Y188-M198 HydrophobicContact CD1-CE 4.39Å; Y188-M198 HydrophobicContact CE1-CE 3.57Å
189	K	91.6	Very high	88.7	Confident	37 Å²	37	57 Å²	57	16%	0.161	28%	0.278	C	S	.	.	H	α-helix	trans	-58.4	-42.9	-177.6	-168.2	177.1	-171.1	-177.8	0	111.9	H185 A187 Q193 S207 S211	H185-K189 WeakPolarHBondContact O-CB 3.42Å; H185-K189 PolarHBondContact O-N 2.89Å; A187-K189 PolarHBondContact O-N 3.27Å; K189-Q193 VanDerWaalsContact O-CB 3.29Å; K189-Q193 WeakPolarHBondContact O-CB 3.38Å; K189-Q193 WeakPolarHBondContact O-CG 3.48Å; K189-Q193 PolarHBondContact O-N 3.31Å; K189-S207 WeakPolarHBondContact CE-OG 3.36Å; K189-S211 PolarHBondContact NZ-OG 3.41Å
190	R	90.6	Very high	88.1	Confident	152 Å²	152	57.1 Å²	57.1	57%	0.574	27%	0.274	S	S	*	.	H	α-helix	trans	-63.1	-43.3	175.4	-74.6	-177.3	-65.5	152.8	-1	112.3	S186 A187 Y188 F194	S186-R190 WeakPolarHBondContact O-CG 3.47Å; S186-R190 PolarHBondContact O-N 2.95Å; S186-R190 PolarHBondContact O-NE 2.73Å; S186-R190 VanDerWaalsContact O-NE 3.12Å; A187-R190 PolarHBondContact O-N 2.79Å; Y188-R190 VanDerWaalsContact C-N 3.32Å; Y188-R190 PolarHBondContact O-N 3.09Å; R190-F194 WeakPolarHBondContact O-CB 3.03Å; R190-F194 PolarHBondContact O-N 3Å
191	A	91.8	Very high	87.7	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-66.7	-48.7	179.5	0	0	0	0	0	112.3	Y108 T111 V112 A187 Y188 Q193 F194 L195	Y108-A191 HydrophobicContact CD1-CB 3.51Å; Y108-A191 HydrophobicContact CE1-CB 4.35Å; Y108-A191 HydrophobicContact CG-CB 4.17Å; T111-A191 HydrophobicContact CG2-CB 3.56Å; V112-A191 HydrophobicContact CG2-CB 3.72Å; A187-A191 PolarHBondContact O-N 2.83Å; A187-A191 VanDerWaalsContact O-N 3.08Å; Y188-A191 PolarHBondContact O-N 3.27Å; Y188-A191 VanDerWaalsContact O-N 3.09Å; A191-Q193 VanDerWaalsContact C-N 3.34Å; A191-Q193 PolarHBondContact O-N 3.49Å; A191-F194 PolarHBondContact O-N 2.82Å; A191-L195 WeakPolarHBondContact O-CG 3.5Å; A191-L195 PolarHBondContact O-N 2.9Å
192	A	90.9	Very high	87.4	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-63.9	-36.4	179.6	0	0	0	0	0	112.7	V112 Y188 R196 K197 M198	V112-A192 HydrophobicContact CG2-CB 4.15Å; Y188-A192 HydrophobicContact CE1-CB 4.36Å; Y188-A192 WeakPolarHBondContact O-CB 3.38Å; Y188-A192 PolarHBondContact O-N 3.09Å; A192-R196 PolarHBondContact O-N 3.38Å; A192-R196 VanDerWaalsContact O-N 3.15Å; A192-K197 PolarHBondContact O-N 2.93Å; A192-M198 HydrophobicContact CB-CE 4.03Å; A192-M198 HydrophobicContact CB-CG 4.33Å; A192-M198 HydrophobicContact CB-SD 4.39Å
193	Q	89.6	Confident	86.9	Confident	110 Å²	110	65.5 Å²	65.5	51%	0.514	33%	0.328	S	S	.	.	H	α-helix	trans	-66.3	-43.8	172.3	-75.9	176.5	-19	0	0	112	K189 A191 L195 R196	K189-Q193 VanDerWaalsContact O-CB 3.29Å; K189-Q193 WeakPolarHBondContact O-CB 3.38Å; K189-Q193 WeakPolarHBondContact O-CG 3.48Å; K189-Q193 PolarHBondContact O-N 3.31Å; A191-Q193 VanDerWaalsContact C-N 3.34Å; A191-Q193 PolarHBondContact O-N 3.49Å; Q193-L195 PolarHBondContact O-N 2.77Å; Q193-R196 PolarHBondContact O-N 2.75Å; Q193-R196 VanDerWaalsContact O-N 3.17Å
194	F	89	Confident	86.5	Confident	79 Å²	79	66.5 Å²	66.5	35%	0.346	33%	0.332	S	S	.	.	H	α-helix	trans	-62.5	-42.6	177.6	-179.3	-100.3	0	0	0	112.2	R104 V105 Y108 R190 A191 R196	R104-F194 HydrophobicContact CG-CE1 4.24Å; R104-F194 HydrophobicContact CG-CZ 4.19Å; R104-F194 VanDerWaalsContact NE-CE2 3.31Å; R104-F194 VanDerWaalsContact NE-CZ 3.27Å; R104-F194 VanDerWaalsContact NH2-CE2 3.26Å; V105-F194 HydrophobicContact CG2-CE1 4.28Å; Y108-F194 HydrophobicContact CD2-CB 4.18Å; Y108-F194 AromaticContact CD2-CD1 3.25Å; Y108-F194 HydrophobicContact CD2-CD1 3.25Å; Y108-F194 AromaticContact CD2-CE1 3.73Å; Y108-F194 HydrophobicContact CD2-CE1 3.73Å; Y108-F194 AromaticContact CD2-CG 3.76Å; Y108-F194 HydrophobicContact CD2-CG 3.76Å; Y108-F194 HydrophobicContact CE2-CB 4.35Å; Y108-F194 AromaticContact CE2-CD1 3.86Å; Y108-F194 HydrophobicContact CE2-CD1 3.86Å; Y108-F194 HydrophobicContact CE2-CD2 4.43Å; Y108-F194 HydrophobicContact CE2-CE1 4.28Å; Y108-F194 AromaticContact CE2-CG 3.93Å; Y108-F194 HydrophobicContact CE2-CG 3.93Å; Y108-F194 HydrophobicContact CG-CD1 4.02Å; R190-F194 WeakPolarHBondContact O-CB 3.03Å; R190-F194 PolarHBondContact O-N 3Å; A191-F194 PolarHBondContact O-N 2.82Å; F194-R196 PolarHBondContact O-N 2.62Å
195	L	89.8	Confident	86.2	Confident	39 Å²	39	71.6 Å²	71.6	20%	0.204	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-0.6	176.6	-61.8	175.9	0	0	0	114.3	V105 E109 V112 A191 Q193 K197	V105-L195 HydrophobicContact CG1-CD2 4.21Å; E109-L195 HydrophobicContact CB-CD1 4.37Å; E109-L195 HydrophobicContact CG-CD1 3.8Å; E109-L195 HydrophobicContact CG-CD2 3.81Å; E109-L195 HydrophobicContact CG-CG 4.48Å; V112-L195 HydrophobicContact CB-CD1 4.5Å; V112-L195 HydrophobicContact CG2-CD1 4Å; A191-L195 WeakPolarHBondContact O-CG 3.5Å; A191-L195 PolarHBondContact O-N 2.9Å; Q193-L195 PolarHBondContact O-N 2.77Å; L195-K197 HydrophobicContact CB-CG 4.3Å; L195-K197 PolarHBondContact O-N 3.05Å; L195-K197 VanDerWaalsContact O-N 3.17Å
196	R	85.3	Confident	85.9	Confident	222 Å²	222	73.7 Å²	73.7	84%	0.838	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	28.5	-178.4	-52.4	179.2	-179	177.8	-0.5	114.2	A192 Q193 F194	A192-R196 PolarHBondContact O-N 3.38Å; A192-R196 VanDerWaalsContact O-N 3.15Å; Q193-R196 PolarHBondContact O-N 2.75Å; Q193-R196 VanDerWaalsContact O-N 3.17Å; F194-R196 PolarHBondContact O-N 2.62Å
197	K	77.1	Confident	85.6	Confident	113 Å²	113	71.3 Å²	71.3	49%	0.491	35%	0.349	S	S	.	.			trans	-71.4	-27.3	179.2	-83.2	-174.9	165.7	-166.9	0	113.4	V112 E116 A192 L195 A199	V112-K197 HydrophobicContact CG1-CD 3.88Å; V112-K197 VanDerWaalsContact CG1-NZ 3.34Å; E116-K197 IonicContact OE2-NZ 2.7Å; A192-K197 PolarHBondContact O-N 2.93Å; L195-K197 HydrophobicContact CB-CG 4.3Å; L195-K197 PolarHBondContact O-N 3.05Å; L195-K197 VanDerWaalsContact O-N 3.17Å; K197-A199 PolarHBondContact O-N 3.17Å
198	M	68.3	Low	85.5	Confident	33 Å²	33	74.9 Å²	74.9	16%	0.163	36%	0.364	C	S	.	.			trans	-83.4	88.2	177.7	-69.5	-179.9	170.6	0	0	110.6	Y188 A192 I204	Y188-M198 HydrophobicContact CD1-CE 4.39Å; Y188-M198 HydrophobicContact CE1-CE 3.57Å; A192-M198 HydrophobicContact CB-CE 4.03Å; A192-M198 HydrophobicContact CB-CG 4.33Å; A192-M198 HydrophobicContact CB-SD 4.39Å; M198-I204 HydrophobicContact CB-CG1 4.23Å
199	A	63	Low	85.5	Confident	86 Å²	86	77.2 Å²	77.2	71%	0.711	38%	0.378	S	S	*	.			trans	-107.2	-25.7	-177.8	0	0	0	0	0	113.9	K197	K197-A199 PolarHBondContact O-N 3.17Å
200	D	80.7	Confident	85.5	Confident	75 Å²	75	75.4 Å²	75.4	40%	0.401	37%	0.37	S	S	.	.	S	Bend	trans	-87.8	137	-178	67.2	-69.8	0	0	0	111.9	Q202 S203 I204	D200-Q202 PolarHBondContact O-N 3.41Å; D200-Q202 VanDerWaalsContact O-N 3.16Å; D200-S203 PolarHBondContact O-N 2.82Å; D200-S203 WeakPolarHBondContact OD1-CB 3.23Å; D200-S203 WeakPolarHBondContact OD2-CB 3.49Å; D200-S203 PolarHBondContact OD2-N 3.18Å; D200-I204 WeakPolarHBondContact O-CG1 3.32Å; D200-I204 PolarHBondContact O-N 2.61Å
201	P	85.8	Confident	85.6	Confident	112 Å²	112	69.3 Å²	69.3	73%	0.727	35%	0.351	S	S	*	.	H	α-helix	trans	-59.9	-27.8	-178.4	-26.9	35.3	0	0	0	114.4	Q205	P201-Q205 PolarHBondContact O-N 3.5Å; P201-Q205 VanDerWaalsContact O-N 3.16Å
202	Q	86	Confident	85.6	Confident	130 Å²	130	74.1 Å²	74.1	61%	0.607	38%	0.375	S	S	*	.	H	α-helix	trans	-69.9	-53.9	-179.7	-178.8	172.3	-19.7	0	0	111	D200 I204 Q205 E206	D200-Q202 PolarHBondContact O-N 3.41Å; D200-Q202 VanDerWaalsContact O-N 3.16Å; Q202-I204 VanDerWaalsContact C-N 3.26Å; Q202-I204 PolarHBondContact O-N 2.69Å; Q202-Q205 CarbonylContact O-C 3.37Å; Q202-Q205 WeakPolarHBondContact O-CA 3.32Å; Q202-Q205 WeakPolarHBondContact O-CB 3.28Å; Q202-Q205 PolarHBondContact O-N 3.42Å; Q202-E206 HydrophobicContact CG-CG 4.31Å; Q202-E206 VanDerWaalsContact CG-OE1 3.26Å; Q202-E206 WeakPolarHBondContact CG-OE1 3.27Å; Q202-E206 PolarHBondContact NE2-OE1 2.7Å; Q202-E206 WeakPolarHBondContact O-CG 3.45Å; Q202-E206 PolarHBondContact O-N 2.93Å
203	S	83.1	Confident	85.8	Confident	36 Å²	36	74.7 Å²	74.7	25%	0.252	38%	0.377	S	S	.	.	H	α-helix	trans	-56.7	-38	176.2	-177.9	0	0	0	0	112.7	D200 E206 S207	D200-S203 PolarHBondContact O-N 2.82Å; D200-S203 WeakPolarHBondContact OD1-CB 3.23Å; D200-S203 WeakPolarHBondContact OD2-CB 3.49Å; D200-S203 PolarHBondContact OD2-N 3.18Å; S203-E206 PolarHBondContact O-N 3.16Å; S203-S207 WeakPolarHBondContact O-CB 3.25Å; S203-S207 PolarHBondContact O-N 3.07Å
204	I	85.1	Confident	85.9	Confident	87 Å²	87	70.3 Å²	70.3	45%	0.446	36%	0.357	S	S	.	.	H	α-helix	trans	-61.3	-46.5	174.3	-64.7	168.8	0	0	0	110.7	M198 D200 Q202 Q208	M198-I204 HydrophobicContact CB-CG1 4.23Å; D200-I204 WeakPolarHBondContact O-CG1 3.32Å; D200-I204 PolarHBondContact O-N 2.61Å; Q202-I204 VanDerWaalsContact C-N 3.26Å; Q202-I204 PolarHBondContact O-N 2.69Å; I204-Q208 WeakPolarHBondContact O-CB 3.47Å; I204-Q208 PolarHBondContact O-N 3.32Å
205	Q	88.3	Confident	86	Confident	108 Å²	108	69.2 Å²	69.2	51%	0.505	36%	0.362	S	S	.	.	H	α-helix	trans	-67.2	-39.8	177	-174.8	60.9	46.8	0	0	112.2	P201 Q202 Q208 N209	P201-Q205 PolarHBondContact O-N 3.5Å; P201-Q205 VanDerWaalsContact O-N 3.16Å; Q202-Q205 CarbonylContact O-C 3.37Å; Q202-Q205 WeakPolarHBondContact O-CA 3.32Å; Q202-Q205 WeakPolarHBondContact O-CB 3.28Å; Q202-Q205 PolarHBondContact O-N 3.42Å; Q205-Q208 PolarHBondContact O-N 3.08Å; Q205-N209 PolarHBondContact NE2-OD1 3.14Å; Q205-N209 WeakPolarHBondContact O-CB 3.46Å; Q205-N209 PolarHBondContact O-N 3.33Å; Q205-N209 PolarHBondContact O-ND2 3.24Å; Q205-N209 PolarHBondContact O-OD1 3.2Å
206	E	87.7	Confident	86.1	Confident	47 Å²	47	70.1 Å²	70.1	22%	0.22	37%	0.368	C	S	.	.	H	α-helix	trans	-63.7	-46.7	176.5	-69.1	-171	-155.7	0	0	111.3	M123 Y127 Q202 S203 Q208 N209 L210	M123-E206 HydrophobicContact CE-CB 4.03Å; M123-E206 HydrophobicContact SD-CB 4.35Å; Y127-E206 VanDerWaalsContact OH-CG 3.24Å; Y127-E206 WeakPolarHBondContact OH-CG 3.49Å; Y127-E206 PolarHBondContact OH-OE2 2.82Å; Q202-E206 HydrophobicContact CG-CG 4.31Å; Q202-E206 VanDerWaalsContact CG-OE1 3.26Å; Q202-E206 WeakPolarHBondContact CG-OE1 3.27Å; Q202-E206 PolarHBondContact NE2-OE1 2.7Å; Q202-E206 WeakPolarHBondContact O-CG 3.45Å; Q202-E206 PolarHBondContact O-N 2.93Å; S203-E206 PolarHBondContact O-N 3.16Å; E206-Q208 VanDerWaalsContact C-N 3.27Å; E206-Q208 PolarHBondContact O-N 3.21Å; E206-N209 PolarHBondContact O-N 2.84Å; E206-L210 PolarHBondContact O-N 3.44Å
207	S	87.8	Confident	86.3	Confident	3 Å²	3	64.8 Å²	64.8	2%	0.021	35%	0.352	C	S	.	.	H	α-helix	trans	-59.3	-37.8	173.5	-177.8	0	0	0	0	112	K189 S203 S211	K189-S207 WeakPolarHBondContact CE-OG 3.36Å; S203-S207 WeakPolarHBondContact O-CB 3.25Å; S203-S207 PolarHBondContact O-N 3.07Å; S207-S211 WeakPolarHBondContact O-CB 3.47Å; S207-S211 PolarHBondContact O-N 3.11Å; S207-S211 PolarHBondContact O-OG 3.23Å
208	Q	91	Very high	87	Confident	83 Å²	83	61.7 Å²	61.7	39%	0.388	34%	0.341	S	S	.	.	H	α-helix	trans	-70.2	-40.7	176.1	-170.9	58	18.1	0	0	112.4	I204 Q205 E206 S211 M212	I204-Q208 WeakPolarHBondContact O-CB 3.47Å; I204-Q208 PolarHBondContact O-N 3.32Å; Q205-Q208 PolarHBondContact O-N 3.08Å; E206-Q208 VanDerWaalsContact C-N 3.27Å; E206-Q208 PolarHBondContact O-N 3.21Å; Q208-S211 WeakPolarHBondContact O-CB 3.48Å; Q208-S211 PolarHBondContact O-N 2.89Å; Q208-M212 WeakPolarHBondContact O-CG 3.3Å; Q208-M212 PolarHBondContact O-N 3.02Å
209	N	92.6	Very high	88.1	Confident	69 Å²	69	64.3 Å²	64.3	37%	0.369	35%	0.349	S	S	.	.	H	α-helix	trans	-60.1	-46.4	173.6	-68.5	-21.6	0	0	0	111.2	M126 Q205 E206 S211 M212 F213	M126-N209 HydrophobicContact CE-CB 4.15Å; M126-N209 HydrophobicContact SD-CB 4.02Å; Q205-N209 PolarHBondContact NE2-OD1 3.14Å; Q205-N209 WeakPolarHBondContact O-CB 3.46Å; Q205-N209 PolarHBondContact O-N 3.33Å; Q205-N209 PolarHBondContact O-ND2 3.24Å; Q205-N209 PolarHBondContact O-OD1 3.2Å; E206-N209 PolarHBondContact O-N 2.84Å; N209-S211 VanDerWaalsContact C-N 3.34Å; N209-S211 PolarHBondContact O-N 3.22Å; N209-M212 PolarHBondContact O-N 3.32Å; N209-F213 WeakPolarHBondContact O-CB 3.34Å; N209-F213 PolarHBondContact O-N 3.47Å
210	L	92.6	Very high	89.6	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.3	-40.2	177	-173.6	59.3	0	0	0	111.8	V119 L122 M123 M126 E206 M212 F213 L214	V119-L210 HydrophobicContact CG1-CD2 3.98Å; L122-L210 HydrophobicContact CB-CD1 4.15Å; L122-L210 HydrophobicContact CB-CD2 3.99Å; M123-L210 HydrophobicContact CE-CB 3.9Å; M123-L210 HydrophobicContact CE-CD2 3.68Å; M123-L210 HydrophobicContact CE-CG 4.42Å; M123-L210 HydrophobicContact CG-CD2 4.13Å; M123-L210 HydrophobicContact SD-CB 3.87Å; M123-L210 HydrophobicContact SD-CD2 3.71Å; M123-L210 HydrophobicContact SD-CG 4.25Å; M126-L210 HydrophobicContact CB-CD1 4.13Å; M126-L210 HydrophobicContact CE-CB 4.37Å; M126-L210 HydrophobicContact SD-CB 4.14Å; M126-L210 HydrophobicContact SD-CD1 4.16Å; E206-L210 PolarHBondContact O-N 3.44Å; L210-M212 VanDerWaalsContact C-N 3.33Å; L210-M212 PolarHBondContact O-N 3.42Å; L210-F213 HydrophobicContact CD1-CD1 4.16Å; L210-F213 PolarHBondContact O-N 2.85Å; L210-L214 HydrophobicContact CD1-CD1 4.02Å; L210-L214 HydrophobicContact CD1-CG 4.02Å; L210-L214 HydrophobicContact CG-CD1 3.99Å; L210-L214 HydrophobicContact CG-CG 4.36Å; L210-L214 WeakPolarHBondContact O-CG 3.27Å; L210-L214 PolarHBondContact O-N 3.41Å
211	S	92.4	Very high	90.2	Very high	24 Å²	24	57.3 Å²	57.3	17%	0.168	30%	0.3	C	S	.	.	H	α-helix	trans	-56.2	-47.5	173.7	-55.5	0	0	0	0	111.3	H185 K189 S207 Q208 N209 A215	H185-S211 PolarHBondContact CE1-OG 2.94Å; K189-S211 PolarHBondContact NZ-OG 3.41Å; S207-S211 WeakPolarHBondContact O-CB 3.47Å; S207-S211 PolarHBondContact O-N 3.11Å; S207-S211 PolarHBondContact O-OG 3.23Å; Q208-S211 WeakPolarHBondContact O-CB 3.48Å; Q208-S211 PolarHBondContact O-N 2.89Å; N209-S211 VanDerWaalsContact C-N 3.34Å; N209-S211 PolarHBondContact O-N 3.22Å; S211-A215 WeakPolarHBondContact O-CB 3.41Å; S211-A215 PolarHBondContact O-N 3.39Å
212	M	92.2	Very high	90.5	Very high	101 Å²	101	55.7 Å²	55.7	50%	0.498	28%	0.282	S	S	.	.	H	α-helix	trans	-69.6	-36.5	179.2	-67.6	-59.8	-66.6	0	0	112.5	Q208 N209 L210 N216	Q208-M212 WeakPolarHBondContact O-CG 3.3Å; Q208-M212 PolarHBondContact O-N 3.02Å; N209-M212 PolarHBondContact O-N 3.32Å; L210-M212 VanDerWaalsContact C-N 3.33Å; L210-M212 PolarHBondContact O-N 3.42Å; M212-N216 PolarHBondContact O-N 2.9Å; M212-N216 PolarHBondContact O-ND2 3.22Å
213	F	94	Very high	90.8	Very high	12 Å²	12	50.6 Å²	50.6	5%	0.053	26%	0.261	C	S	.	.	H	α-helix	trans	-65	-45.4	177	173.1	-112	0	0	0	112.2	F125 M126 Q129 K175 N209 L210 R219 I220	F125-F213 AromaticContact CD1-CE1 3.74Å; F125-F213 HydrophobicContact CD1-CE1 3.74Å; F125-F213 HydrophobicContact CD1-CZ 4.15Å; F125-F213 AromaticContact CE1-CE1 3.52Å; F125-F213 HydrophobicContact CE1-CE1 3.52Å; F125-F213 AromaticContact CE1-CZ 3.59Å; F125-F213 HydrophobicContact CE1-CZ 3.59Å; F125-F213 HydrophobicContact CZ-CE1 4.35Å; F125-F213 AromaticContact CZ-CZ 3.97Å; F125-F213 HydrophobicContact CZ-CZ 3.97Å; M126-F213 HydrophobicContact CB-CD1 4.02Å; M126-F213 HydrophobicContact CB-CE1 4.23Å; M126-F213 HydrophobicContact CG-CB 4.25Å; M126-F213 HydrophobicContact CG-CD1 4.07Å; M126-F213 HydrophobicContact CG-CG 4.06Å; M126-F213 HydrophobicContact SD-CB 4.08Å; Q129-F213 HydrophobicContact CG-CE2 3.84Å; Q129-F213 HydrophobicContact CG-CZ 3.74Å; K175-F213 HydrophobicContact CD-CE1 3.92Å; K175-F213 HydrophobicContact CD-CE2 3.99Å; K175-F213 HydrophobicContact CD-CZ 3.57Å; K175-F213 VanDerWaalsContact CE-O 3.22Å; K175-F213 WeakPolarHBondContact CE-O 3.33Å; N209-F213 WeakPolarHBondContact O-CB 3.34Å; N209-F213 PolarHBondContact O-N 3.47Å; L210-F213 HydrophobicContact CD1-CD1 4.16Å; L210-F213 PolarHBondContact O-N 2.85Å; F213-R219 HydrophobicContact CD2-CG 4Å; F213-R219 HydrophobicContact CE2-CG 4.48Å; F213-I220 HydrophobicContact CE2-CD1 4.49Å; F213-I220 HydrophobicContact CE2-CG1 3.99Å; F213-I220 HydrophobicContact CZ-CD1 4.3Å; F213-I220 HydrophobicContact CZ-CG1 4.3Å
214	L	93.1	Very high	91.4	Very high	18 Å²	18	48.9 Å²	48.9	9%	0.094	25%	0.249	C	C	.	.	H	α-helix	trans	-76.5	-24.1	179.5	-62.1	178.6	0	0	0	113.5	L122 V181 H185 L210	L122-L214 HydrophobicContact CD1-CD1 4.23Å; V181-L214 HydrophobicContact CG1-CD1 4.15Å; V181-L214 HydrophobicContact CG1-CD2 3.74Å; H185-L214 HydrophobicContact CB-CD1 3.8Å; L210-L214 HydrophobicContact CD1-CD1 4.02Å; L210-L214 HydrophobicContact CD1-CG 4.02Å; L210-L214 HydrophobicContact CG-CD1 3.99Å; L210-L214 HydrophobicContact CG-CG 4.36Å; L210-L214 WeakPolarHBondContact O-CG 3.27Å; L210-L214 PolarHBondContact O-N 3.41Å
215	A	90.6	Very high	91.6	Very high	55 Å²	55	46.3 Å²	46.3	46%	0.455	24%	0.235	S	C	.	.	H	α-helix	trans	-76.3	-30.5	177.2	0	0	0	0	0	113.5	S211	S211-A215 WeakPolarHBondContact O-CB 3.41Å; S211-A215 PolarHBondContact O-N 3.39Å
216	N	91.3	Very high	91.7	Very high	59 Å²	59	46.5 Å²	46.5	32%	0.316	24%	0.236	S	C	.	.	S	Bend	trans	-87.2	122.8	-175.7	-74.4	-59.4	0	0	0	112.4	K175 M212 R219	K175-N216 WeakPolarHBondContact CE-O 3.22Å; K175-N216 PolarHBondContact NZ-O 3.45Å; M212-N216 PolarHBondContact O-N 2.9Å; M212-N216 PolarHBondContact O-ND2 3.22Å; N216-R219 HydrophobicContact CB-CB 3.96Å; N216-R219 HydrophobicContact CB-CG 4.17Å; N216-R219 WeakPolarHBondContact O-CB 3.4Å
217	H	89.9	Confident	92	Very high	109 Å²	109	47 Å²	47	51%	0.505	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	146.6	172.3	-157.6	83.8	0	0	0	110.4	N176 R219 Q222	N176-H217 VanDerWaalsContact CB-CE1 3.48Å; N176-H217 WeakPolarHBondContact CB-CE1 3.32Å; N176-H217 VanDerWaalsContact CG-CE1 3.47Å; N176-H217 PolarHBondContact OD1-ND1 3.46Å; H217-R219 PolarHBondContact O-N 3.08Å; H217-Q222 PolarHBondContact O-NE2 2.96Å
218	N	91.3	Very high	92.3	Very high	48 Å²	48	46.9 Å²	46.9	26%	0.257	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	30.3	-177.4	-63.5	-21.6	0	0	0	114.9	D172 N176 T221 Q222	D172-N218 WeakPolarHBondContact OD2-CA 3.35Å; N176-N218 PolarHBondContact ND2-OD1 3.38Å; N176-N218 PolarHBondContact OD1-N 3.36Å; N218-T221 PolarHBondContact O-N 3.38Å; N218-Q222 WeakPolarHBondContact O-CB 3.34Å; N218-Q222 WeakPolarHBondContact O-CG 3.49Å; N218-Q222 PolarHBondContact O-N 3.33Å
219	R	92.4	Very high	92.4	Very high	89 Å²	89	44.6 Å²	44.6	34%	0.336	23%	0.227	S	C	.	.	H	α-helix	trans	-70.7	-34.6	-169.7	-176	56.3	-177.4	171.1	4.6	113.2	D172 F213 N216 H217 C223	D172-R219 PolarHBondContact OD1-N 2.99Å; D172-R219 PolarHBondContact OD2-N 2.96Å; F213-R219 HydrophobicContact CD2-CG 4Å; F213-R219 HydrophobicContact CE2-CG 4.48Å; N216-R219 HydrophobicContact CB-CB 3.96Å; N216-R219 HydrophobicContact CB-CG 4.17Å; N216-R219 WeakPolarHBondContact O-CB 3.4Å; H217-R219 PolarHBondContact O-N 3.08Å; R219-C223 VanDerWaalsContact O-CB 3.29Å; R219-C223 WeakPolarHBondContact O-CB 3.38Å; R219-C223 PolarHBondContact O-N 3.48Å; R219-C223 VanDerWaalsContact O-N 3.14Å
220	I	94.4	Very high	92.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-70.6	-46.2	178	-58.6	179.1	0	0	0	108.6	F125 Q129 I133 F168 L171 D172 F213 C223 L224	F125-I220 HydrophobicContact CE2-CD1 4.38Å; F125-I220 HydrophobicContact CZ-CD1 3.86Å; Q129-I220 HydrophobicContact CB-CD1 4.12Å; Q129-I220 HydrophobicContact CB-CG1 4.44Å; Q129-I220 HydrophobicContact CG-CD1 4.26Å; Q129-I220 HydrophobicContact CG-CG1 4.31Å; I133-I220 HydrophobicContact CD1-CG2 3.94Å; F168-I220 HydrophobicContact CB-CG2 4.08Å; F168-I220 HydrophobicContact CD1-CG2 3.89Å; F168-I220 HydrophobicContact CG-CG2 4.37Å; L171-I220 HydrophobicContact CB-CD1 3.93Å; D172-I220 HydrophobicContact CB-CB 3.86Å; D172-I220 HydrophobicContact CB-CD1 4.29Å; D172-I220 HydrophobicContact CB-CG1 4.33Å; D172-I220 PolarHBondContact OD1-N 2.86Å; D172-I220 PolarHBondContact OD2-N 2.86Å; D172-I220 VanDerWaalsContact OD2-N 3.15Å; F213-I220 HydrophobicContact CE2-CD1 4.49Å; F213-I220 HydrophobicContact CE2-CG1 3.99Å; F213-I220 HydrophobicContact CZ-CD1 4.3Å; F213-I220 HydrophobicContact CZ-CG1 4.3Å; I220-C223 PolarHBondContact O-N 2.93Å; I220-L224 WeakPolarHBondContact O-CB 3.38Å; I220-L224 PolarHBondContact O-N 3.43Å
221	T	93.2	Very high	92.4	Very high	13 Å²	13	47.5 Å²	47.5	8%	0.08	25%	0.246	C	C	.	.	H	α-helix	trans	-59.7	-47.1	177.2	-57.4	0	0	0	0	112.2	D172 N218 C223 L224 H225 F269 Y272	D172-T221 VanDerWaalsContact OD2-CB 3.26Å; D172-T221 WeakPolarHBondContact OD2-CB 3.29Å; D172-T221 PolarHBondContact OD2-N 3.33Å; D172-T221 PolarHBondContact OD2-OG1 3.03Å; N218-T221 PolarHBondContact O-N 3.38Å; T221-C223 PolarHBondContact O-N 3.48Å; T221-L224 PolarHBondContact O-N 3.03Å; T221-H225 WeakPolarHBondContact O-CB 3.49Å; T221-H225 PolarHBondContact O-N 2.98Å; T221-F269 HydrophobicContact CG2-CE2 3.78Å; T221-F269 HydrophobicContact CG2-CZ 3.83Å; T221-Y272 HydrophobicContact CG2-CE1 3.65Å
222	Q	91.4	Very high	92.3	Very high	78 Å²	78	51.4 Å²	51.4	36%	0.364	27%	0.271	S	S	.	.	H	α-helix	trans	-61	-44.3	176	-74.5	164.7	12.1	0	0	112.1	H217 N218 H225 Q226	H217-Q222 PolarHBondContact O-NE2 2.96Å; N218-Q222 WeakPolarHBondContact O-CB 3.34Å; N218-Q222 WeakPolarHBondContact O-CG 3.49Å; N218-Q222 PolarHBondContact O-N 3.33Å; Q222-H225 PolarHBondContact O-N 3.33Å; Q222-Q226 WeakPolarHBondContact O-CB 3.43Å; Q222-Q226 VanDerWaalsContact O-CG 3.24Å; Q222-Q226 WeakPolarHBondContact O-CG 3.48Å; Q222-Q226 PolarHBondContact O-N 3.36Å
223	C	93.3	Very high	92.2	Very high	23 Å²	23	47 Å²	47	16%	0.155	25%	0.251	C	S	.	.	H	α-helix	trans	-64.7	-41.6	179.2	-172.4	0	0	0	0	111.5	I133 R219 I220 T221 Q227	I133-C223 HydrophobicContact CD1-CB 3.85Å; R219-C223 VanDerWaalsContact O-CB 3.29Å; R219-C223 WeakPolarHBondContact O-CB 3.38Å; R219-C223 PolarHBondContact O-N 3.48Å; R219-C223 VanDerWaalsContact O-N 3.14Å; I220-C223 PolarHBondContact O-N 2.93Å; T221-C223 PolarHBondContact O-N 3.48Å; C223-Q227 WeakPolarHBondContact O-CG 3.48Å; C223-Q227 PolarHBondContact O-N 2.88Å; C223-Q227 PolarHBondContact SG-NE2 2.94Å
224	L	94.1	Very high	92.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.8	-50.4	174.8	-179.8	63.6	0	0	0	111.4	I133 F136 F168 I220 T221 Q226 Q227 L228 F269 L273	I133-L224 HydrophobicContact CD1-CB 4.44Å; I133-L224 HydrophobicContact CG1-CB 4.5Å; I133-L224 HydrophobicContact CG2-CB 4.49Å; I133-L224 HydrophobicContact CG2-CD1 4.16Å; F136-L224 HydrophobicContact CD1-CD1 3.74Å; F136-L224 HydrophobicContact CE1-CD1 3.98Å; F168-L224 HydrophobicContact CB-CD2 4.03Å; F168-L224 HydrophobicContact CD2-CD1 4.14Å; F168-L224 HydrophobicContact CD2-CD2 3.57Å; F168-L224 HydrophobicContact CD2-CG 4.47Å; F168-L224 HydrophobicContact CE2-CD1 4.05Å; F168-L224 HydrophobicContact CE2-CD2 4.31Å; F168-L224 HydrophobicContact CG-CD2 4.01Å; I220-L224 WeakPolarHBondContact O-CB 3.38Å; I220-L224 PolarHBondContact O-N 3.43Å; T221-L224 PolarHBondContact O-N 3.03Å; L224-Q226 PolarHBondContact O-N 3.46Å; L224-Q227 PolarHBondContact O-N 3.42Å; L224-L228 HydrophobicContact CD1-CD1 3.88Å; L224-L228 HydrophobicContact CD1-CG 4.16Å; L224-L228 HydrophobicContact CG-CD1 3.82Å; L224-L228 HydrophobicContact CG-CG 4.45Å; L224-L228 WeakPolarHBondContact O-CB 3.17Å; L224-L228 VanDerWaalsContact O-CG 3.27Å; L224-L228 WeakPolarHBondContact O-CG 3.17Å; L224-L228 PolarHBondContact O-N 3.07Å; L224-F269 HydrophobicContact CD2-CE1 4.32Å; L224-L273 HydrophobicContact CD2-CD1 3.75Å; L224-L273 HydrophobicContact CD2-CD2 4.14Å; L224-L273 HydrophobicContact CG-CD1 4.47Å; L224-L273 HydrophobicContact CG-CD2 4.38Å
225	H	90.7	Very high	92.1	Very high	33 Å²	33	47.1 Å²	47.1	15%	0.153	25%	0.251	C	S	.	.	H	α-helix	trans	-58.2	-46.9	178.4	-163.1	-81.7	0	0	0	111.9	T221 Q222 Q227 L228 E229	T221-H225 WeakPolarHBondContact O-CB 3.49Å; T221-H225 PolarHBondContact O-N 2.98Å; Q222-H225 PolarHBondContact O-N 3.33Å; H225-Q227 PolarHBondContact O-N 2.88Å; H225-L228 PolarHBondContact O-N 3.44Å; H225-E229 IonicContact CE1-OE1 3.72Å; H225-E229 PolarHBondContact CE1-OE1 3.45Å; H225-E229 IonicContact CE1-OE2 3.29Å; H225-E229 PolarHBondContact CE1-OE2 3.35Å; H225-E229 IonicContact ND1-OE1 2.66Å; H225-E229 IonicContact ND1-OE2 3.48Å; H225-E229 PolarHBondContact ND1-OE2 2.97Å; H225-E229 PolarHBondContact O-N 3.45Å
226	Q	90.7	Very high	92.1	Very high	112 Å²	112	46.9 Å²	46.9	52%	0.523	24%	0.241	S	C	.	.	H	α-helix	trans	-61	-39.6	177.7	-74.7	173.4	-4	0	0	113	Q222 L224 V230	Q222-Q226 WeakPolarHBondContact O-CB 3.43Å; Q222-Q226 VanDerWaalsContact O-CG 3.24Å; Q222-Q226 WeakPolarHBondContact O-CG 3.48Å; Q222-Q226 PolarHBondContact O-N 3.36Å; L224-Q226 PolarHBondContact O-N 3.46Å; Q226-V230 VanDerWaalsContact O-CG2 3.32Å; Q226-V230 WeakPolarHBondContact O-CG2 3.09Å
227	Q	93.9	Very high	92.2	Very high	59 Å²	59	44.6 Å²	44.6	28%	0.276	23%	0.228	S	C	.	.	H	α-helix	trans	-76.2	-28.1	177.7	-70.7	-169.9	43.3	0	0	113	I133 C137 C223 L224 H225	I133-Q227 HydrophobicContact CG2-CB 4.38Å; I133-Q227 HydrophobicContact CG2-CG 4.36Å; C137-Q227 HydrophobicContact CB-CB 4.14Å; C137-Q227 VanDerWaalsContact SG-CB 3.57Å; C223-Q227 WeakPolarHBondContact O-CG 3.48Å; C223-Q227 PolarHBondContact O-N 2.88Å; C223-Q227 PolarHBondContact SG-NE2 2.94Å; L224-Q227 PolarHBondContact O-N 3.42Å; H225-Q227 PolarHBondContact O-N 2.88Å
228	L	94.2	Very high	92.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-75.4	-46.3	176.7	-73.2	174.1	0	0	0	112.6	F136 V140 L224 H225 V230 I231 Y234 L238 L273	F136-L228 HydrophobicContact CE1-CD1 4.48Å; F136-L228 HydrophobicContact CE1-CD2 4.11Å; V140-L228 HydrophobicContact CB-CD2 4.24Å; V140-L228 HydrophobicContact CG1-CD2 3.92Å; V140-L228 HydrophobicContact CG2-CD2 4.01Å; L224-L228 HydrophobicContact CD1-CD1 3.88Å; L224-L228 HydrophobicContact CD1-CG 4.16Å; L224-L228 HydrophobicContact CG-CD1 3.82Å; L224-L228 HydrophobicContact CG-CG 4.45Å; L224-L228 WeakPolarHBondContact O-CB 3.17Å; L224-L228 VanDerWaalsContact O-CG 3.27Å; L224-L228 WeakPolarHBondContact O-CG 3.17Å; L224-L228 PolarHBondContact O-N 3.07Å; H225-L228 PolarHBondContact O-N 3.44Å; L228-V230 PolarHBondContact O-N 3.49Å; L228-V230 VanDerWaalsContact O-N 3.11Å; L228-I231 WeakPolarHBondContact O-CB 3.28Å; L228-I231 PolarHBondContact O-N 2.85Å; L228-Y234 HydrophobicContact CB-CD2 3.75Å; L228-Y234 HydrophobicContact CB-CE2 4.04Å; L228-Y234 HydrophobicContact CB-CG 4.16Å; L228-Y234 HydrophobicContact CD1-CD2 4.49Å; L228-Y234 HydrophobicContact CD2-CD2 4.38Å; L228-Y234 HydrophobicContact CG-CD2 4.43Å; L228-Y234 VanDerWaalsContact O-CD1 3.26Å; L228-Y234 WeakPolarHBondContact O-CD1 3.5Å; L228-L238 HydrophobicContact CD1-CD1 4.48Å; L228-L273 HydrophobicContact CD1-CD1 4.29Å
229	E	91.9	Very high	92.5	Very high	35 Å²	35	37.1 Å²	37.1	16%	0.164	19%	0.192	C	C	.	.	H	α-helix	trans	-60.2	-23.9	179.8	-76.5	-175.1	121.5	0	0	113.5	H225 I231 Y234 N277 V278	H225-E229 IonicContact CE1-OE1 3.72Å; H225-E229 PolarHBondContact CE1-OE1 3.45Å; H225-E229 IonicContact CE1-OE2 3.29Å; H225-E229 PolarHBondContact CE1-OE2 3.35Å; H225-E229 IonicContact ND1-OE1 2.66Å; H225-E229 IonicContact ND1-OE2 3.48Å; H225-E229 PolarHBondContact ND1-OE2 2.97Å; H225-E229 PolarHBondContact O-N 3.45Å; E229-I231 VanDerWaalsContact C-N 3.26Å; E229-I231 PolarHBondContact O-N 2.95Å; E229-Y234 HydrophobicContact CG-CE1 4.35Å; E229-N277 WeakPolarHBondContact OE1-CB 3.37Å; E229-N277 PolarHBondContact OE1-N 2.85Å; E229-N277 PolarHBondContact OE1-ND2 3.41Å; E229-N277 VanDerWaalsContact OE1-ND2 3.08Å; E229-V278 HydrophobicContact CB-CG2 3.98Å; E229-V278 HydrophobicContact CG-CG2 4.11Å
230	V	92.9	Very high	92.5	Very high	117 Å²	117	34 Å²	34	71%	0.709	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-14.8	174.9	172.6	0	0	0	0	112.6	Q226 L228 P232	Q226-V230 VanDerWaalsContact O-CG2 3.32Å; Q226-V230 WeakPolarHBondContact O-CG2 3.09Å; L228-V230 PolarHBondContact O-N 3.49Å; L228-V230 VanDerWaalsContact O-N 3.11Å; V230-P232 WeakPolarHBondContact O-CD 3.27Å
231	I	92.8	Very high	92.5	Very high	12 Å²	12	34.1 Å²	34.1	6%	0.062	18%	0.183	C	C	.	.	S	Bend	trans	-96.8	112.7	-178.2	-60.9	164.5	0	0	0	109.7	C137 V140 K141 C144 L228 E229 G233 Y234	C137-I231 HydrophobicContact CB-CD1 4.13Å; C137-I231 WeakPolarHBondContact O-CD1 3.41Å; V140-I231 HydrophobicContact CB-CD1 4.26Å; V140-I231 HydrophobicContact CG1-CD1 4.1Å; V140-I231 HydrophobicContact CG1-CG2 4.35Å; K141-I231 HydrophobicContact CB-CD1 3.95Å; K141-I231 HydrophobicContact CB-CG1 4.13Å; K141-I231 HydrophobicContact CB-CG2 4.16Å; K141-I231 HydrophobicContact CG-CG1 4.45Å; K141-I231 HydrophobicContact CG-CG2 4.4Å; C144-I231 HydrophobicContact CB-CG2 4.14Å; L228-I231 WeakPolarHBondContact O-CB 3.28Å; L228-I231 PolarHBondContact O-N 2.85Å; E229-I231 VanDerWaalsContact C-N 3.26Å; E229-I231 PolarHBondContact O-N 2.95Å; I231-G233 PolarHBondContact O-N 3.17Å; I231-G233 VanDerWaalsContact O-N 3.12Å; I231-Y234 WeakPolarHBondContact O-CD1 3.46Å; I231-Y234 PolarHBondContact O-N 3.1Å
232	P	90.2	Very high	92.6	Very high	107 Å²	107	33.5 Å²	33.5	70%	0.695	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	115.8	-176.8	-23.1	34.8	0	0	0	112.6	R149 V230	R149-P232 PolarHBondContact NH2-O 3.4Å; V230-P232 WeakPolarHBondContact O-CD 3.27Å
233	G	89	Confident	92.7	Very high	7 Å²	7	32.1 Å²	32.1	7%	0.072	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	21.3	-179.3	0	0	0	0	0	115.1	C144 I231 E235 E236	C144-G233 PolarHBondContact SG-O 3.28Å; I231-G233 PolarHBondContact O-N 3.17Å; I231-G233 VanDerWaalsContact O-N 3.12Å; G233-E235 WeakPolarHBondContact CA-OE1 3.33Å; G233-E235 WeakPolarHBondContact CA-OE2 3.41Å; G233-E235 PolarHBondContact N-OE2 3.46Å; G233-E235 PolarHBondContact O-N 2.81Å; G233-E236 WeakPolarHBondContact O-CB 3.49Å; G233-E236 PolarHBondContact O-N 3.19Å
234	Y	93.6	Very high	92.7	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-55.5	-34.3	172.4	79.6	-82.8	0	0	0	112	L228 E229 I231 E236 L237 L238 L273 V278	L228-Y234 HydrophobicContact CB-CD2 3.75Å; L228-Y234 HydrophobicContact CB-CE2 4.04Å; L228-Y234 HydrophobicContact CB-CG 4.16Å; L228-Y234 HydrophobicContact CD1-CD2 4.49Å; L228-Y234 HydrophobicContact CD2-CD2 4.38Å; L228-Y234 HydrophobicContact CG-CD2 4.43Å; L228-Y234 VanDerWaalsContact O-CD1 3.26Å; L228-Y234 WeakPolarHBondContact O-CD1 3.5Å; E229-Y234 HydrophobicContact CG-CE1 4.35Å; I231-Y234 WeakPolarHBondContact O-CD1 3.46Å; I231-Y234 PolarHBondContact O-N 3.1Å; Y234-E236 PolarHBondContact O-N 3.24Å; Y234-L237 PolarHBondContact O-N 3.22Å; Y234-L237 VanDerWaalsContact O-N 3.14Å; Y234-L238 HydrophobicContact CD2-CD1 3.63Å; Y234-L238 HydrophobicContact CD2-CG 4.24Å; Y234-L238 HydrophobicContact CE2-CD1 3.71Å; Y234-L238 PolarHBondContact O-N 3.21Å; Y234-L238 VanDerWaalsContact O-N 3.07Å; Y234-L273 WeakPolarHBondContact CE2-O 3.42Å; Y234-L273 PolarHBondContact OH-O 3.45Å; Y234-V278 HydrophobicContact CE1-CB 4.42Å
235	E	91.9	Very high	92.7	Very high	34 Å²	34	32 Å²	32	16%	0.159	17%	0.172	C	C	.	.	H	α-helix	trans	-63.1	-26	179.7	72.9	-74.8	177.2	0	0	113	G233 A239 S279 L284	G233-E235 WeakPolarHBondContact CA-OE1 3.33Å; G233-E235 WeakPolarHBondContact CA-OE2 3.41Å; G233-E235 PolarHBondContact N-OE2 3.46Å; G233-E235 PolarHBondContact O-N 2.81Å; E235-A239 WeakPolarHBondContact O-CB 3.24Å; E235-A239 PolarHBondContact O-N 2.9Å; E235-S279 WeakPolarHBondContact CB-OG 3.36Å; E235-L284 HydrophobicContact CB-CD1 4.41Å; E235-L284 HydrophobicContact CG-CD1 4.39Å
236	E	91.3	Very high	92.9	Very high	49 Å²	49	31 Å²	31	23%	0.229	17%	0.168	C	C	.	.	H	α-helix	trans	-71.2	-37.7	175.2	-70.5	-71.4	158.2	0	0	111.8	G233 Y234 D240 R289	G233-E236 WeakPolarHBondContact O-CB 3.49Å; G233-E236 PolarHBondContact O-N 3.19Å; Y234-E236 PolarHBondContact O-N 3.24Å; E236-D240 PolarHBondContact O-N 3.26Å; E236-R289 PolarHBondContact O-NH2 2.67Å; E236-R289 IonicContact OE1-NE 3.31Å; E236-R289 IonicContact OE2-CZ 2.79Å; E236-R289 IonicContact OE2-NE 3.85Å; E236-R289 PolarHBondContact OE2-NE 3.48Å; E236-R289 IonicContact OE2-NH2 3.57Å; E236-R289 PolarHBondContact OE2-NH2 3.49Å
237	L	92.3	Very high	93	Very high	11 Å²	11	28.9 Å²	28.9	6%	0.058	16%	0.16	C	C	.	.	H	α-helix	trans	-74.2	-40.2	175.2	-179.6	65.9	0	0	0	111.2	V140 L143 L158 L161 Y234 A239 D240 I241	V140-L237 HydrophobicContact CB-CD2 4.14Å; V140-L237 HydrophobicContact CG1-CD2 4.09Å; V140-L237 HydrophobicContact CG2-CD2 3.99Å; L143-L237 HydrophobicContact CB-CD1 4.38Å; L143-L237 HydrophobicContact CB-CD2 3.93Å; L143-L237 HydrophobicContact CD1-CD1 4.05Å; L143-L237 HydrophobicContact CD1-CD2 3.83Å; L158-L237 HydrophobicContact CD2-CD1 3.78Å; L161-L237 HydrophobicContact CD1-CD2 4.38Å; Y234-L237 PolarHBondContact O-N 3.22Å; Y234-L237 VanDerWaalsContact O-N 3.14Å; L237-A239 VanDerWaalsContact C-N 3.32Å; L237-A239 PolarHBondContact O-N 2.65Å; L237-D240 WeakPolarHBondContact O-CB 3.26Å; L237-D240 PolarHBondContact O-N 2.71Å; L237-D240 VanDerWaalsContact O-N 3.11Å; L237-I241 HydrophobicContact CG-CD1 4.45Å; L237-I241 WeakPolarHBondContact O-CG1 3.4Å; L237-I241 PolarHBondContact O-N 3.44Å
238	L	93.9	Very high	93	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.3	-40.3	173.9	-64.4	-174.1	0	0	0	111.5	I165 L228 Y234 D240 I241 V242 L273 M274	I165-L238 HydrophobicContact CD1-CD2 3.6Å; L228-L238 HydrophobicContact CD1-CD1 4.48Å; Y234-L238 HydrophobicContact CD2-CD1 3.63Å; Y234-L238 HydrophobicContact CD2-CG 4.24Å; Y234-L238 HydrophobicContact CE2-CD1 3.71Å; Y234-L238 PolarHBondContact O-N 3.21Å; Y234-L238 VanDerWaalsContact O-N 3.07Å; L238-D240 PolarHBondContact O-N 2.73Å; L238-I241 HydrophobicContact CD2-CD1 4.33Å; L238-I241 PolarHBondContact O-N 2.97Å; L238-V242 WeakPolarHBondContact O-CG2 3.49Å; L238-V242 PolarHBondContact O-N 3.04Å; L238-L273 HydrophobicContact CD1-CB 3.86Å; L238-M274 HydrophobicContact CB-CG 3.42Å; L238-M274 VanDerWaalsContact CB-CG 3.42Å; L238-M274 HydrophobicContact CB-SD 3.64Å; L238-M274 HydrophobicContact CD1-CG 3.73Å; L238-M274 HydrophobicContact CG-CG 4.23Å
239	A	93.9	Very high	93	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.2	-31.9	173.4	0	0	0	0	0	112.6	E235 L237 N243 M274 R289 I290	E235-A239 WeakPolarHBondContact O-CB 3.24Å; E235-A239 PolarHBondContact O-N 2.9Å; L237-A239 VanDerWaalsContact C-N 3.32Å; L237-A239 PolarHBondContact O-N 2.65Å; A239-N243 WeakPolarHBondContact O-CB 3.35Å; A239-N243 PolarHBondContact O-N 2.87Å; A239-N243 PolarHBondContact O-ND2 3.43Å; A239-N243 VanDerWaalsContact O-ND2 3.17Å; A239-M274 HydrophobicContact CB-CE 3.62Å; A239-M274 HydrophobicContact CB-SD 4.42Å; A239-R289 HydrophobicContact CB-CG 4.23Å; A239-I290 HydrophobicContact CB-CG2 3.75Å
240	D	92.2	Very high	93.1	Very high	25 Å²	25	29.9 Å²	29.9	13%	0.134	16%	0.164	C	C	.	.	H	α-helix	trans	-72.4	-40.4	175.2	-74.5	-7.7	0	0	0	112.7	L158 E236 L237 L238 N243 I244 R289 K597	L158-D240 HydrophobicContact CD1-CB 4.35Å; L158-D240 HydrophobicContact CD2-CB 4.43Å; E236-D240 PolarHBondContact O-N 3.26Å; L237-D240 WeakPolarHBondContact O-CB 3.26Å; L237-D240 PolarHBondContact O-N 2.71Å; L237-D240 VanDerWaalsContact O-N 3.11Å; L238-D240 PolarHBondContact O-N 2.73Å; D240-N243 PolarHBondContact O-N 2.91Å; D240-I244 WeakPolarHBondContact O-CG2 3.46Å; D240-I244 PolarHBondContact O-N 3.47Å; D240-R289 IonicContact OD1-CZ 3.59Å; D240-R289 IonicContact OD1-NH1 2.72Å; D240-R289 PolarHBondContact OD1-NH1 3.21Å; D240-R289 IonicContact OD1-NH2 3.59Å; D240-R289 PolarHBondContact OD1-NH2 3.23Å; D240-R289 IonicContact OD2-NH2 3.45Å; D240-K597 IonicContact OD1-NZ 2.7Å; D240-K597 PolarHBondContact OD1-NZ 2.9Å; D240-K597 IonicContact OD2-NZ 3.15Å; D240-K597 PolarHBondContact OD2-NZ 3.48Å
241	I	94.4	Very high	93.1	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-63.7	-44.9	173.6	-62.4	168.1	0	0	0	110.5	L158 L161 I165 L237 L238 I244 C245 V266	L158-I241 HydrophobicContact CB-CG1 4.32Å; L158-I241 HydrophobicContact CD2-CG1 4.07Å; L161-I241 HydrophobicContact CB-CD1 3.58Å; L161-I241 HydrophobicContact CB-CG1 4.37Å; L161-I241 HydrophobicContact CD1-CD1 4.41Å; I165-I241 HydrophobicContact CD1-CD1 3.97Å; I165-I241 HydrophobicContact CD1-CG2 4.31Å; L237-I241 HydrophobicContact CG-CD1 4.45Å; L237-I241 WeakPolarHBondContact O-CG1 3.4Å; L237-I241 PolarHBondContact O-N 3.44Å; L238-I241 HydrophobicContact CD2-CD1 4.33Å; L238-I241 PolarHBondContact O-N 2.97Å; I241-I244 VanDerWaalsContact O-CG2 3.3Å; I241-I244 WeakPolarHBondContact O-CG2 3.44Å; I241-C245 PolarHBondContact O-N 3.1Å; I241-C245 VanDerWaalsContact O-N 3.13Å; I241-C245 PolarHBondContact O-SG 2.99Å; I241-C245 VanDerWaalsContact O-SG 3.35Å; I241-V266 HydrophobicContact CG2-CG1 3.59Å
242	V	95.2	Very high	93.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.4	-44.8	177.1	172.1	0	0	0	0	111	L238 C245 V246 L271 M274 I295	L238-V242 WeakPolarHBondContact O-CG2 3.49Å; L238-V242 PolarHBondContact O-N 3.04Å; V242-C245 PolarHBondContact O-N 3.44Å; V242-V246 HydrophobicContact CG1-CG2 4.46Å; V242-V246 WeakPolarHBondContact O-CG2 3.43Å; V242-V246 PolarHBondContact O-N 3.42Å; V242-L271 HydrophobicContact CG1-CD2 4.41Å; V242-M274 HydrophobicContact CG2-SD 4.06Å; V242-I295 HydrophobicContact CG1-CD1 3.66Å
243	N	94.5	Very high	93.2	Very high	49 Å²	49	29.5 Å²	29.5	26%	0.262	15%	0.145	S	C	.	.	H	α-helix	trans	-65.2	-39.6	-180	-76	-21.3	0	0	0	112.8	A239 D240 C245 V246 D247 R289	A239-N243 WeakPolarHBondContact O-CB 3.35Å; A239-N243 PolarHBondContact O-N 2.87Å; A239-N243 PolarHBondContact O-ND2 3.43Å; A239-N243 VanDerWaalsContact O-ND2 3.17Å; D240-N243 PolarHBondContact O-N 2.91Å; N243-C245 VanDerWaalsContact C-N 3.33Å; N243-V246 PolarHBondContact O-N 3.03Å; N243-D247 PolarHBondContact O-N 3.22Å; N243-R289 PolarHBondContact ND2-NH1 3.47Å; N243-R289 PolarHBondContact ND2-O 2.89Å
244	I	92.3	Very high	93.4	Very high	20 Å²	20	31.2 Å²	31.2	10%	0.103	15%	0.15	C	C	.	.	H	α-helix	trans	-68.1	-35.4	176.4	-164.9	59.2	0	0	0	111.4	E155 L158 L159 D240 I241 D247 Y248	E155-I244 HydrophobicContact CB-CD1 4.38Å; E155-I244 HydrophobicContact CB-CG1 4.26Å; E155-I244 HydrophobicContact CG-CD1 3.67Å; E155-I244 HydrophobicContact CG-CG1 4.03Å; L158-I244 HydrophobicContact CB-CG2 4.02Å; L158-I244 HydrophobicContact CD1-CG2 4.45Å; L159-I244 HydrophobicContact CD2-CG2 4.34Å; D240-I244 WeakPolarHBondContact O-CG2 3.46Å; D240-I244 PolarHBondContact O-N 3.47Å; I241-I244 VanDerWaalsContact O-CG2 3.3Å; I241-I244 WeakPolarHBondContact O-CG2 3.44Å; I244-D247 PolarHBondContact O-N 2.87Å; I244-Y248 HydrophobicContact CD1-CD1 3.68Å; I244-Y248 HydrophobicContact CD1-CE1 3.5Å; I244-Y248 VanDerWaalsContact CD1-CE1 3.5Å; I244-Y248 HydrophobicContact CG1-CD1 3.86Å; I244-Y248 HydrophobicContact CG1-CE1 3.75Å; I244-Y248 VanDerWaalsContact O-CB 3.29Å; I244-Y248 WeakPolarHBondContact O-CB 3.5Å; I244-Y248 WeakPolarHBondContact O-CD1 3.26Å; I244-Y248 PolarHBondContact O-N 2.96Å
245	C	95.2	Very high	93.3	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.014	15%	0.15	C	C	.	.	H	α-helix	trans	-64.7	-40.2	172.3	-69.8	0	0	0	0	112.6	I241 V242 N243 Y248 Y249 L263 M267	I241-C245 PolarHBondContact O-N 3.1Å; I241-C245 VanDerWaalsContact O-N 3.13Å; I241-C245 PolarHBondContact O-SG 2.99Å; I241-C245 VanDerWaalsContact O-SG 3.35Å; V242-C245 PolarHBondContact O-N 3.44Å; N243-C245 VanDerWaalsContact C-N 3.33Å; C245-Y248 PolarHBondContact O-N 3.35Å; C245-Y249 WeakPolarHBondContact O-CB 3.27Å; C245-Y249 PolarHBondContact O-N 3.24Å; C245-L263 HydrophobicContact CB-CB 4.32Å; C245-L263 HydrophobicContact CB-CD2 4.12Å; C245-M267 HydrophobicContact CB-CE 4.15Å; C245-M267 HydrophobicContact CB-CG 4.05Å; C245-M267 VanDerWaalsContact O-CE 3.32Å; C245-M267 WeakPolarHBondContact O-CE 3.28Å
246	V	95.3	Very high	93.4	Very high	10 Å²	10	29.7 Å²	29.7	6%	0.061	14%	0.143	C	C	.	.	H	α-helix	trans	-61	-48.4	175.4	165.4	0	0	0	0	110.9	V242 N243 Y249 E250 M267 K294 I295 F298	V242-V246 HydrophobicContact CG1-CG2 4.46Å; V242-V246 WeakPolarHBondContact O-CG2 3.43Å; V242-V246 PolarHBondContact O-N 3.42Å; N243-V246 PolarHBondContact O-N 3.03Å; V246-Y249 PolarHBondContact O-N 2.76Å; V246-E250 WeakPolarHBondContact O-CB 3.46Å; V246-E250 PolarHBondContact O-N 2.98Å; V246-M267 HydrophobicContact CG2-CE 4.36Å; V246-M267 HydrophobicContact CG2-CG 4.12Å; V246-M267 HydrophobicContact CG2-SD 3.7Å; V246-K294 HydrophobicContact CG1-CB 4.25Å; V246-K294 HydrophobicContact CG1-CD 3.99Å; V246-I295 HydrophobicContact CG2-CD1 3.91Å; V246-I295 HydrophobicContact CG2-CG1 3.6Å; V246-F298 HydrophobicContact CG1-CE2 4.14Å
247	D	92.9	Very high	93.6	Very high	68 Å²	68	27.9 Å²	27.9	36%	0.364	14%	0.135	S	C	.	.	H	α-helix	trans	-61.7	-47.2	177.8	-173.5	89.6	0	0	0	111.5	N243 I244 Y249 E250 N251	N243-D247 PolarHBondContact O-N 3.22Å; I244-D247 PolarHBondContact O-N 2.87Å; D247-Y249 VanDerWaalsContact C-N 3.32Å; D247-Y249 PolarHBondContact O-N 3.47Å; D247-E250 PolarHBondContact O-N 3.42Å; D247-N251 VanDerWaalsContact O-CB 3.28Å; D247-N251 WeakPolarHBondContact O-CB 3.31Å; D247-N251 PolarHBondContact O-N 3.44Å; D247-N251 PolarHBondContact O-ND2 3.31Å; D247-N251 PolarHBondContact OD1-ND2 2.97Å; D247-N251 PolarHBondContact OD2-ND2 3.29Å
248	Y	93.5	Very high	93.6	Very high	11 Å²	11	30.8 Å²	30.8	4%	0.043	16%	0.156	C	C	.	.	H	α-helix	trans	-61.3	-38.8	179.1	-89	38.4	0	0	0	112.9	E155 L159 I244 C245 K252 M253 L263 F624	E155-Y248 PolarHBondContact OE2-OH 3.48Å; L159-Y248 HydrophobicContact CD1-CD2 3.97Å; L159-Y248 HydrophobicContact CD1-CE2 3.29Å; L159-Y248 HydrophobicContact CD2-CD2 4.17Å; L159-Y248 HydrophobicContact CD2-CE2 4.31Å; L159-Y248 HydrophobicContact CG-CE2 4.36Å; I244-Y248 HydrophobicContact CD1-CD1 3.68Å; I244-Y248 HydrophobicContact CD1-CE1 3.5Å; I244-Y248 VanDerWaalsContact CD1-CE1 3.5Å; I244-Y248 HydrophobicContact CG1-CD1 3.86Å; I244-Y248 HydrophobicContact CG1-CE1 3.75Å; I244-Y248 VanDerWaalsContact O-CB 3.29Å; I244-Y248 WeakPolarHBondContact O-CB 3.5Å; I244-Y248 WeakPolarHBondContact O-CD1 3.26Å; I244-Y248 PolarHBondContact O-N 2.96Å; C245-Y248 PolarHBondContact O-N 3.35Å; Y248-K252 CarbonylContact O-C 3.51Å; Y248-K252 PolarHBondContact O-N 3.26Å; Y248-K252 VanDerWaalsContact O-N 3.13Å; Y248-M253 HydrophobicContact CD1-CB 3.95Å; Y248-M253 HydrophobicContact CD1-CG 4.27Å; Y248-M253 HydrophobicContact CD2-CB 3.68Å; Y248-M253 WeakPolarHBondContact CD2-O 3.32Å; Y248-M253 HydrophobicContact CE1-CB 4.3Å; Y248-M253 HydrophobicContact CE2-CB 4.05Å; Y248-M253 HydrophobicContact CG-CB 3.62Å; Y248-M253 HydrophobicContact CG-CG 4.39Å; Y248-M253 PolarHBondContact O-N 3.14Å; Y248-L263 HydrophobicContact CD2-CD2 4.49Å; Y248-F624 HydrophobicContact CD2-CE2 4.46Å; Y248-F624 HydrophobicContact CD2-CZ 4.48Å; Y248-F624 HydrophobicContact CE2-CD2 4.44Å; Y248-F624 AromaticContact CE2-CE2 3.56Å; Y248-F624 HydrophobicContact CE2-CE2 3.56Å; Y248-F624 AromaticContact CE2-CZ 3.98Å; Y248-F624 HydrophobicContact CE2-CZ 3.98Å
249	Y	94.4	Very high	93.5	Very high	18 Å²	18	33.5 Å²	33.5	7%	0.071	17%	0.169	C	C	.	.	H	α-helix	trans	-69.8	-42.5	177.6	-170.4	-92.3	0	0	0	111.4	C245 V246 D247 Y254 K260 L263 L264 M267 F298	C245-Y249 WeakPolarHBondContact O-CB 3.27Å; C245-Y249 PolarHBondContact O-N 3.24Å; V246-Y249 PolarHBondContact O-N 2.76Å; D247-Y249 VanDerWaalsContact C-N 3.32Å; D247-Y249 PolarHBondContact O-N 3.47Å; Y249-Y254 HydrophobicContact CD2-CE1 4.34Å; Y249-K260 HydrophobicContact CD2-CG 4.48Å; Y249-K260 HydrophobicContact CE2-CG 3.89Å; Y249-L263 HydrophobicContact CD2-CD1 4.46Å; Y249-L264 HydrophobicContact CD1-CD2 4.47Å; Y249-L264 HydrophobicContact CD2-CD2 3.93Å; Y249-L264 HydrophobicContact CD2-CG 4.02Å; Y249-L264 HydrophobicContact CE1-CD2 4.33Å; Y249-L264 HydrophobicContact CE2-CD1 3.72Å; Y249-L264 HydrophobicContact CE2-CD2 3.76Å; Y249-L264 HydrophobicContact CE2-CG 3.72Å; Y249-L264 HydrophobicContact CG-CD2 4.29Å; Y249-M267 HydrophobicContact CG-CE 4.17Å; Y249-F298 HydrophobicContact CD1-CB 4.32Å; Y249-F298 AromaticContact CD1-CD1 3.78Å; Y249-F298 HydrophobicContact CD1-CD1 3.78Å; Y249-F298 AromaticContact CD1-CD2 3.62Å; Y249-F298 HydrophobicContact CD1-CD2 3.62Å; Y249-F298 AromaticContact CD1-CE1 3.92Å; Y249-F298 HydrophobicContact CD1-CE1 3.92Å; Y249-F298 AromaticContact CD1-CE2 3.74Å; Y249-F298 HydrophobicContact CD1-CE2 3.74Å; Y249-F298 AromaticContact CD1-CG 3.65Å; Y249-F298 HydrophobicContact CD1-CG 3.65Å; Y249-F298 AromaticContact CD1-CZ 3.91Å; Y249-F298 HydrophobicContact CD1-CZ 3.91Å; Y249-F298 HydrophobicContact CE1-CB 4.01Å; Y249-F298 AromaticContact CE1-CD1 3.7Å; Y249-F298 HydrophobicContact CE1-CD1 3.7Å; Y249-F298 HydrophobicContact CE1-CD2 4.16Å; Y249-F298 HydrophobicContact CE1-CE1 4.19Å; Y249-F298 AromaticContact CE1-CG 3.7Å; Y249-F298 HydrophobicContact CE1-CG 3.7Å; Y249-F298 HydrophobicContact CG-CD2 4.36Å; Y249-F298 HydrophobicContact CG-CE2 4.45Å
250	E	94	Very high	93.6	Very high	87 Å²	87	34.7 Å²	34.7	41%	0.407	17%	0.174	S	C	.	.	H	α-helix	trans	-66.2	-43.2	178.7	-168	169.5	-153.2	0	0	112.5	V246 D247 K252 K294 F298	V246-E250 WeakPolarHBondContact O-CB 3.46Å; V246-E250 PolarHBondContact O-N 2.98Å; D247-E250 PolarHBondContact O-N 3.42Å; E250-K252 VanDerWaalsContact C-N 3.33Å; E250-K294 VanDerWaalsContact OE1-CE 3.3Å; E250-K294 WeakPolarHBondContact OE1-CE 3.27Å; E250-K294 IonicContact OE1-NZ 3.51Å; E250-K294 PolarHBondContact OE1-NZ 2.81Å; E250-K294 IonicContact OE2-NZ 2.73Å; E250-K294 PolarHBondContact OE2-NZ 2.93Å; E250-F298 HydrophobicContact CB-CZ 4.02Å; E250-F298 HydrophobicContact CG-CZ 4.43Å
251	N	92.6	Very high	93.7	Very high	66 Å²	66	33.9 Å²	33.9	35%	0.353	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	2.1	-177.8	-71.1	-43.6	0	0	0	114.2	D247 M253	D247-N251 VanDerWaalsContact O-CB 3.28Å; D247-N251 WeakPolarHBondContact O-CB 3.31Å; D247-N251 PolarHBondContact O-N 3.44Å; D247-N251 PolarHBondContact O-ND2 3.31Å; D247-N251 PolarHBondContact OD1-ND2 2.97Å; D247-N251 PolarHBondContact OD2-ND2 3.29Å; N251-M253 VanDerWaalsContact C-N 3.32Å; N251-M253 HydrophobicContact CB-CG 3.89Å; N251-M253 HydrophobicContact CB-SD 4.49Å; N251-M253 PolarHBondContact O-N 3.4Å
252	K	92.1	Very high	93.7	Very high	145 Å²	145	36 Å²	36	63%	0.63	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	38.6	-175.9	-54.7	179.7	-177.4	176.2	0	113.9	Y248 E250 Y254	Y248-K252 CarbonylContact O-C 3.51Å; Y248-K252 PolarHBondContact O-N 3.26Å; Y248-K252 VanDerWaalsContact O-N 3.13Å; E250-K252 VanDerWaalsContact C-N 3.33Å; K252-Y254 HydrophobicContact CB-CE1 4.37Å; K252-Y254 PolarHBondContact O-N 2.86Å
253	M	92	Very high	93.8	Very high	16 Å²	16	36.4 Å²	36.4	8%	0.079	18%	0.182	C	C	.	.			trans	-82.2	59	175	-53.1	-60.8	-61.4	0	0	110.6	Y248 N251 K621 F624	Y248-M253 HydrophobicContact CD1-CB 3.95Å; Y248-M253 HydrophobicContact CD1-CG 4.27Å; Y248-M253 HydrophobicContact CD2-CB 3.68Å; Y248-M253 WeakPolarHBondContact CD2-O 3.32Å; Y248-M253 HydrophobicContact CE1-CB 4.3Å; Y248-M253 HydrophobicContact CE2-CB 4.05Å; Y248-M253 HydrophobicContact CG-CB 3.62Å; Y248-M253 HydrophobicContact CG-CG 4.39Å; Y248-M253 PolarHBondContact O-N 3.14Å; N251-M253 VanDerWaalsContact C-N 3.32Å; N251-M253 HydrophobicContact CB-CG 3.89Å; N251-M253 HydrophobicContact CB-SD 4.49Å; N251-M253 PolarHBondContact O-N 3.4Å; M253-K621 HydrophobicContact CE-CG 4.04Å; M253-K621 HydrophobicContact SD-CD 4.46Å; M253-K621 HydrophobicContact SD-CG 3.94Å; M253-F624 VanDerWaalsContact C-CE1 3.41Å; M253-F624 HydrophobicContact CB-CE1 4.3Å; M253-F624 HydrophobicContact CB-CZ 4.29Å; M253-F624 HydrophobicContact CE-CB 3.56Å; M253-F624 HydrophobicContact CE-CD1 3.87Å; M253-F624 HydrophobicContact CE-CD2 3.96Å; M253-F624 HydrophobicContact CE-CG 3.51Å; M253-F624 WeakPolarHBondContact O-CZ 3.13Å
254	Y	93.2	Very high	93.8	Very high	44 Å²	44	34.1 Å²	34.1	17%	0.173	17%	0.17	C	C	.	.			trans	-154	152.6	174.5	56.9	-98.5	0	0	0	107.8	Y249 K252 K260 L263	Y249-Y254 HydrophobicContact CD2-CE1 4.34Å; K252-Y254 HydrophobicContact CB-CE1 4.37Å; K252-Y254 PolarHBondContact O-N 2.86Å; Y254-K260 HydrophobicContact CD2-CB 3.72Å; Y254-K260 HydrophobicContact CD2-CG 4.28Å; Y254-K260 HydrophobicContact CE1-CG 4.35Å; Y254-K260 HydrophobicContact CE2-CB 3.79Å; Y254-K260 HydrophobicContact CE2-CD 4.14Å; Y254-K260 HydrophobicContact CE2-CG 3.85Å; Y254-K260 HydrophobicContact CG-CB 4.17Å; Y254-L263 HydrophobicContact CD1-CD1 3.83Å; Y254-L263 HydrophobicContact CG-CD1 4.47Å
255	L	93	Very high	94	Very high	2 Å²	2	34 Å²	34	1%	0.01	17%	0.168	C	C	.	.			trans	-109.4	-49.9	173.4	-171.9	65.1	0	0	0	111.8	E259 L394 L397 Q398 S401 F625 H628 A635	L255-E259 PolarHBondContact N-OE2 3.3Å; L255-L394 HydrophobicContact CD1-CD1 4.05Å; L255-L397 HydrophobicContact CD1-CB 3.96Å; L255-L397 HydrophobicContact CD2-CB 4.2Å; L255-L397 HydrophobicContact CD2-CD1 4.06Å; L255-L397 HydrophobicContact CG-CB 4.43Å; L255-Q398 HydrophobicContact CD1-CG 3.7Å; L255-S401 WeakPolarHBondContact O-CB 3.27Å; L255-S401 PolarHBondContact O-OG 3.1Å; L255-F625 HydrophobicContact CB-CD1 4.37Å; L255-F625 HydrophobicContact CB-CE1 4.39Å; L255-F625 HydrophobicContact CD1-CD1 4.39Å; L255-F625 HydrophobicContact CD1-CE1 4.47Å; L255-H628 HydrophobicContact CD2-CB 3.43Å; L255-H628 VanDerWaalsContact CD2-CB 3.43Å; L255-A635 HydrophobicContact CD2-CB 4.14Å
256	T	94.1	Very high	94	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-91.7	160.6	-169.9	72.6	0	0	0	0	112.8	S258 E259 K260 Q638	T256-S258 VanDerWaalsContact C-N 3.28Å; T256-S258 PolarHBondContact O-N 3.06Å; T256-S258 PolarHBondContact OG1-OG 3.49Å; T256-S258 VanDerWaalsContact OG1-OG 3.09Å; T256-E259 PolarHBondContact N-OE2 3.02Å; T256-E259 PolarHBondContact O-N 2.81Å; T256-E259 VanDerWaalsContact OG1-CG 3.3Å; T256-E259 WeakPolarHBondContact OG1-CG 3.48Å; T256-E259 PolarHBondContact OG1-N 2.95Å; T256-K260 PolarHBondContact O-N 2.89Å; T256-Q638 HydrophobicContact CG2-CB 3.71Å
257	P	93.8	Very high	94.1	Very high	11 Å²	11	33.5 Å²	33.5	7%	0.071	17%	0.165	C	C	.	.	H	α-helix	trans	-58.9	-39.8	174.1	-24.8	35.5	0	0	0	112.4	E259 K260 H261 S401 A405 Q638	P257-E259 PolarHBondContact O-N 2.91Å; P257-K260 WeakPolarHBondContact O-CB 3.07Å; P257-K260 PolarHBondContact O-N 3.49Å; P257-H261 PolarHBondContact O-N 3.17Å; P257-H261 PolarHBondContact O-ND1 3.31Å; P257-S401 WeakPolarHBondContact CD-OG 3.36Å; P257-A405 HydrophobicContact CB-CB 3.91Å; P257-A405 HydrophobicContact CG-CB 4.11Å; P257-Q638 WeakPolarHBondContact CD-O 3.27Å
258	S	92.4	Very high	94.1	Very high	72 Å²	72	30.2 Å²	30.2	50%	0.503	15%	0.148	S	C	.	.	H	α-helix	trans	-67.7	-34.8	179.9	59.3	0	0	0	0	112.7	T256 M262	T256-S258 VanDerWaalsContact C-N 3.28Å; T256-S258 PolarHBondContact O-N 3.06Å; T256-S258 PolarHBondContact OG1-OG 3.49Å; T256-S258 VanDerWaalsContact OG1-OG 3.09Å; S258-M262 VanDerWaalsContact O-CB 3.27Å; S258-M262 WeakPolarHBondContact O-CB 3.21Å; S258-M262 PolarHBondContact O-N 2.82Å
259	E	93	Very high	94.2	Very high	57 Å²	57	30 Å²	30	27%	0.266	15%	0.147	S	C	.	.	H	α-helix	trans	-64.5	-49	169.8	-73.3	173.5	156.6	0	0	111.4	L255 T256 P257 H261 M262 L263 H628	L255-E259 PolarHBondContact N-OE2 3.3Å; T256-E259 PolarHBondContact N-OE2 3.02Å; T256-E259 PolarHBondContact O-N 2.81Å; T256-E259 VanDerWaalsContact OG1-CG 3.3Å; T256-E259 WeakPolarHBondContact OG1-CG 3.48Å; T256-E259 PolarHBondContact OG1-N 2.95Å; P257-E259 PolarHBondContact O-N 2.91Å; E259-H261 VanDerWaalsContact C-N 3.32Å; E259-H261 PolarHBondContact O-N 3.43Å; E259-M262 WeakPolarHBondContact O-CB 3.31Å; E259-M262 PolarHBondContact O-N 3.32Å; E259-L263 WeakPolarHBondContact O-CG 3.3Å; E259-L263 PolarHBondContact O-N 3.04Å; E259-H628 IonicContact OE1-CD2 3.92Å; E259-H628 IonicContact OE1-CE1 2.69Å; E259-H628 IonicContact OE1-NE2 2.7Å; E259-H628 PolarHBondContact OE1-NE2 3.43Å; E259-H628 IonicContact OE2-NE2 2.78Å; E259-H628 PolarHBondContact OE2-NE2 3.14Å
260	K	95.1	Very high	94.2	Very high	25 Å²	25	29.1 Å²	29.1	11%	0.109	14%	0.144	C	C	.	.	H	α-helix	trans	-53.1	-48.2	175.7	-179.1	-167.7	176.3	-168.1	0	111.5	Y249 Y254 T256 P257 A405 E409	Y249-K260 HydrophobicContact CD2-CG 4.48Å; Y249-K260 HydrophobicContact CE2-CG 3.89Å; Y254-K260 HydrophobicContact CD2-CB 3.72Å; Y254-K260 HydrophobicContact CD2-CG 4.28Å; Y254-K260 HydrophobicContact CE1-CG 4.35Å; Y254-K260 HydrophobicContact CE2-CB 3.79Å; Y254-K260 HydrophobicContact CE2-CD 4.14Å; Y254-K260 HydrophobicContact CE2-CG 3.85Å; Y254-K260 HydrophobicContact CG-CB 4.17Å; T256-K260 PolarHBondContact O-N 2.89Å; P257-K260 WeakPolarHBondContact O-CB 3.07Å; P257-K260 PolarHBondContact O-N 3.49Å; K260-A405 HydrophobicContact CD-CB 4.44Å; K260-E409 WeakPolarHBondContact CE-OE1 3.46Å; K260-E409 VanDerWaalsContact NZ-CD 3.35Å; K260-E409 IonicContact NZ-OE1 2.71Å; K260-E409 PolarHBondContact NZ-OE1 3.38Å; K260-E409 IonicContact NZ-OE2 2.74Å; K260-E409 PolarHBondContact NZ-OE2 3.12Å
261	H	95.3	Very high	94.3	Very high	7 Å²	7	25 Å²	25	3%	0.032	13%	0.125	C	C	.	.	H	α-helix	trans	-71.9	-32.1	-179.3	-59.5	159.5	0	0	0	112.8	P257 E259 L263 L264 K265 V305 E409	P257-H261 PolarHBondContact O-N 3.17Å; P257-H261 PolarHBondContact O-ND1 3.31Å; E259-H261 VanDerWaalsContact C-N 3.32Å; E259-H261 PolarHBondContact O-N 3.43Å; H261-L263 PolarHBondContact O-N 2.9Å; H261-L264 PolarHBondContact O-N 2.65Å; H261-K265 WeakPolarHBondContact O-CG 3.34Å; H261-K265 PolarHBondContact O-N 2.7Å; H261-K265 VanDerWaalsContact O-N 3.09Å; H261-V305 HydrophobicContact CB-CB 4.08Å; H261-V305 HydrophobicContact CB-CG1 4.25Å; H261-V305 HydrophobicContact CB-CG2 4.45Å; H261-E409 IonicContact CD2-OE1 3.6Å; H261-E409 IonicContact CE1-OE1 3.14Å; H261-E409 WeakPolarHBondContact NE2-CG 3.21Å; H261-E409 IonicContact NE2-OE1 3.56Å; H261-E409 PolarHBondContact NE2-OE1 3.45Å
262	M	94.6	Very high	94.4	Very high	45 Å²	45	24.6 Å²	24.6	22%	0.222	12%	0.119	C	C	.	.	H	α-helix	trans	-57.9	-46.9	174.1	-178.2	66.3	69.1	0	0	111.2	K163 N166 S258 E259 L264 K265 V266	K163-M262 HydrophobicContact CG-CE 4.32Å; K163-M262 HydrophobicContact CG-CG 4.37Å; K163-M262 HydrophobicContact CG-SD 4.25Å; N166-M262 HydrophobicContact CB-CE 4.44Å; N166-M262 HydrophobicContact CB-SD 3.47Å; N166-M262 WeakPolarHBondContact CB-SD 3.44Å; S258-M262 VanDerWaalsContact O-CB 3.27Å; S258-M262 WeakPolarHBondContact O-CB 3.21Å; S258-M262 PolarHBondContact O-N 2.82Å; E259-M262 WeakPolarHBondContact O-CB 3.31Å; E259-M262 PolarHBondContact O-N 3.32Å; M262-L264 VanDerWaalsContact C-N 3.3Å; M262-L264 PolarHBondContact O-N 2.78Å; M262-K265 PolarHBondContact O-N 2.87Å; M262-V266 HydrophobicContact CG-CG2 4.27Å; M262-V266 VanDerWaalsContact O-CG2 3.31Å; M262-V266 WeakPolarHBondContact O-CG2 3.4Å; M262-V266 PolarHBondContact O-N 2.65Å; M262-V266 HydrophobicContact SD-CG2 4.08Å
263	L	96.1	Very high	94.5	Very high	10 Å²	10	17.7 Å²	17.7	5%	0.052	9%	0.089	C	C	.	.	H	α-helix	trans	-55.6	-45.4	-179.8	-60.2	176.2	0	0	0	111.6	L159 C245 Y248 Y249 Y254 E259 H261 V266 M267	L159-L263 HydrophobicContact CD2-CD2 4Å; C245-L263 HydrophobicContact CB-CB 4.32Å; C245-L263 HydrophobicContact CB-CD2 4.12Å; Y248-L263 HydrophobicContact CD2-CD2 4.49Å; Y249-L263 HydrophobicContact CD2-CD1 4.46Å; Y254-L263 HydrophobicContact CD1-CD1 3.83Å; Y254-L263 HydrophobicContact CG-CD1 4.47Å; E259-L263 WeakPolarHBondContact O-CG 3.3Å; E259-L263 PolarHBondContact O-N 3.04Å; H261-L263 PolarHBondContact O-N 2.9Å; L263-V266 PolarHBondContact O-N 2.79Å; L263-M267 HydrophobicContact CB-CE 4.14Å; L263-M267 WeakPolarHBondContact O-CG 3.41Å; L263-M267 PolarHBondContact O-N 3.09Å
264	L	95.7	Very high	94.6	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-68	-40.9	179.4	-64.1	175.5	0	0	0	112.8	Y249 H261 M262 V266 M267 G268 F298 F299 L302 V305 L315	Y249-L264 HydrophobicContact CD1-CD2 4.47Å; Y249-L264 HydrophobicContact CD2-CD2 3.93Å; Y249-L264 HydrophobicContact CD2-CG 4.02Å; Y249-L264 HydrophobicContact CE1-CD2 4.33Å; Y249-L264 HydrophobicContact CE2-CD1 3.72Å; Y249-L264 HydrophobicContact CE2-CD2 3.76Å; Y249-L264 HydrophobicContact CE2-CG 3.72Å; Y249-L264 HydrophobicContact CG-CD2 4.29Å; H261-L264 PolarHBondContact O-N 2.65Å; M262-L264 VanDerWaalsContact C-N 3.3Å; M262-L264 PolarHBondContact O-N 2.78Å; L264-V266 VanDerWaalsContact C-N 3.33Å; L264-V266 PolarHBondContact O-N 3.27Å; L264-M267 HydrophobicContact CD2-CE 3.93Å; L264-M267 HydrophobicContact CD2-SD 4.23Å; L264-M267 PolarHBondContact O-N 2.94Å; L264-G268 PolarHBondContact O-N 3.04Å; L264-F298 HydrophobicContact CD2-CB 3.96Å; L264-F299 HydrophobicContact CB-CE1 4.25Å; L264-F299 HydrophobicContact CD2-CD1 4.21Å; L264-F299 HydrophobicContact CD2-CE1 4.08Å; L264-L302 HydrophobicContact CD1-CB 4.35Å; L264-L302 HydrophobicContact CD1-CD2 3.65Å; L264-L302 HydrophobicContact CD1-CG 4.02Å; L264-V305 HydrophobicContact CD1-CG1 4.38Å; L264-L315 HydrophobicContact CB-CD1 3.76Å; L264-L315 HydrophobicContact CB-CD2 4.12Å; L264-L315 HydrophobicContact CD1-CD1 3.97Å; L264-L315 HydrophobicContact CG-CD1 4.4Å
265	K	95.4	Very high	94.6	Very high	17 Å²	17	15 Å²	15	7%	0.074	8%	0.077	C	C	.	.	H	α-helix	trans	-62.4	-40.2	175.4	-71.4	-176.1	-66.7	-166	0	111.8	N166 H261 M262 G268 F269 V305 P306 L307 I313 L315	N166-K265 WeakPolarHBondContact OD1-CB 3.33Å; N166-K265 WeakPolarHBondContact OD1-CD 3.35Å; N166-K265 VanDerWaalsContact OD1-CE 3.25Å; N166-K265 WeakPolarHBondContact OD1-CE 3.37Å; H261-K265 WeakPolarHBondContact O-CG 3.34Å; H261-K265 PolarHBondContact O-N 2.7Å; H261-K265 VanDerWaalsContact O-N 3.09Å; M262-K265 PolarHBondContact O-N 2.87Å; K265-G268 PolarHBondContact O-N 3.27Å; K265-F269 PolarHBondContact O-N 3.25Å; K265-V305 HydrophobicContact CD-CG2 4.14Å; K265-V305 HydrophobicContact CG-CG2 3.83Å; K265-P306 PolarHBondContact NZ-O 3.34Å; K265-L307 HydrophobicContact CD-CD1 3.96Å; K265-L307 PolarHBondContact NZ-O 2.86Å; K265-I313 HydrophobicContact CD-CG2 3.94Å; K265-I313 HydrophobicContact CG-CG2 3.99Å; K265-L315 HydrophobicContact CG-CD2 4.27Å
266	V	96	Very high	94.5	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.012	8%	0.079	C	C	.	.	H	α-helix	trans	-68	-39.9	176.1	175.4	0	0	0	0	111.9	G162 N166 I241 M262 L263 L264 G268 G270	G162-V266 VanDerWaalsContact O-CG2 3.24Å; G162-V266 WeakPolarHBondContact O-CG2 3.34Å; N166-V266 HydrophobicContact CB-CG2 4.13Å; I241-V266 HydrophobicContact CG2-CG1 3.59Å; M262-V266 HydrophobicContact CG-CG2 4.27Å; M262-V266 VanDerWaalsContact O-CG2 3.31Å; M262-V266 WeakPolarHBondContact O-CG2 3.4Å; M262-V266 PolarHBondContact O-N 2.65Å; M262-V266 HydrophobicContact SD-CG2 4.08Å; L263-V266 PolarHBondContact O-N 2.79Å; L264-V266 VanDerWaalsContact C-N 3.33Å; L264-V266 PolarHBondContact O-N 3.27Å; V266-G268 VanDerWaalsContact C-N 3.35Å; V266-G268 PolarHBondContact O-N 2.91Å; V266-G270 VanDerWaalsContact O-CA 3.3Å; V266-G270 WeakPolarHBondContact O-CA 3.39Å; V266-G270 PolarHBondContact O-N 3.45Å
267	M	96.5	Very high	94.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-57.5	-48.5	171.3	-70.2	176.9	-134.5	0	0	111.3	C245 V246 Y249 L263 L264 L271 I295 F298 F299	C245-M267 HydrophobicContact CB-CE 4.15Å; C245-M267 HydrophobicContact CB-CG 4.05Å; C245-M267 VanDerWaalsContact O-CE 3.32Å; C245-M267 WeakPolarHBondContact O-CE 3.28Å; V246-M267 HydrophobicContact CG2-CE 4.36Å; V246-M267 HydrophobicContact CG2-CG 4.12Å; V246-M267 HydrophobicContact CG2-SD 3.7Å; Y249-M267 HydrophobicContact CG-CE 4.17Å; L263-M267 HydrophobicContact CB-CE 4.14Å; L263-M267 WeakPolarHBondContact O-CG 3.41Å; L263-M267 PolarHBondContact O-N 3.09Å; L264-M267 HydrophobicContact CD2-CE 3.93Å; L264-M267 HydrophobicContact CD2-SD 4.23Å; L264-M267 PolarHBondContact O-N 2.94Å; M267-L271 WeakPolarHBondContact O-CB 3.41Å; M267-L271 VanDerWaalsContact O-CG 3.32Å; M267-L271 WeakPolarHBondContact O-CG 3.39Å; M267-L271 PolarHBondContact O-N 3.28Å; M267-I295 HydrophobicContact CB-CG2 4.33Å; M267-I295 HydrophobicContact SD-CG1 4.12Å; M267-I295 HydrophobicContact SD-CG2 4.47Å; M267-F298 HydrophobicContact CE-CD2 4.26Å; M267-F298 HydrophobicContact SD-CD2 4.08Å; M267-F299 HydrophobicContact CB-CE1 4.25Å; M267-F299 HydrophobicContact CB-CZ 4.12Å
268	G	94.4	Very high	94.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.2	-56.3	-174.8	0	0	0	0	0	112.4	L264 K265 V266 G270 L271 Y272 Y318	L264-G268 PolarHBondContact O-N 3.04Å; K265-G268 PolarHBondContact O-N 3.27Å; V266-G268 VanDerWaalsContact C-N 3.35Å; V266-G268 PolarHBondContact O-N 2.91Å; G268-G270 VanDerWaalsContact C-N 3.33Å; G268-G270 PolarHBondContact O-N 2.94Å; G268-L271 PolarHBondContact O-N 2.91Å; G268-Y272 PolarHBondContact O-N 3.5Å; G268-Y272 VanDerWaalsContact O-N 3.08Å; G268-Y318 WeakPolarHBondContact O-CB 3.39Å
269	F	95	Very high	94	Very high	5 Å²	5	23 Å²	23	2%	0.022	12%	0.119	C	C	.	.	H	α-helix	trans	-72.6	-28.1	-178.9	-166.3	-136.3	0	0	0	112.5	I165 F168 A169 T221 L224 K265 Y272 L273 Y318	I165-F269 HydrophobicContact CG2-CB 4.12Å; I165-F269 HydrophobicContact CG2-CD1 3.42Å; I165-F269 VanDerWaalsContact CG2-CD1 3.42Å; I165-F269 HydrophobicContact CG2-CE1 4.22Å; I165-F269 HydrophobicContact CG2-CG 4.12Å; I165-F269 WeakPolarHBondContact O-CD1 3.24Å; I165-F269 WeakPolarHBondContact O-CE1 3.14Å; F168-F269 HydrophobicContact CB-CE1 4.36Å; A169-F269 HydrophobicContact CB-CD1 3.67Å; A169-F269 HydrophobicContact CB-CE1 3.81Å; A169-F269 HydrophobicContact CB-CG 4.12Å; A169-F269 HydrophobicContact CB-CZ 4.34Å; T221-F269 HydrophobicContact CG2-CE2 3.78Å; T221-F269 HydrophobicContact CG2-CZ 3.83Å; L224-F269 HydrophobicContact CD2-CE1 4.32Å; K265-F269 PolarHBondContact O-N 3.25Å; F269-Y272 AromaticContact CD2-CD1 3.71Å; F269-Y272 HydrophobicContact CD2-CD1 3.71Å; F269-Y272 HydrophobicContact CD2-CE1 4.5Å; F269-Y272 HydrophobicContact CD2-CG 4.26Å; F269-Y272 AromaticContact CE2-CD1 3.59Å; F269-Y272 HydrophobicContact CE2-CD1 3.59Å; F269-Y272 AromaticContact CE2-CE1 3.97Å; F269-Y272 HydrophobicContact CE2-CE1 3.97Å; F269-Y272 PolarHBondContact O-N 3.38Å; F269-L273 HydrophobicContact CD1-CD1 4.18Å; F269-L273 HydrophobicContact CD2-CG 4.47Å; F269-L273 HydrophobicContact CE1-CD1 4.01Å; F269-L273 HydrophobicContact CE1-CG 4.46Å; F269-L273 HydrophobicContact CE2-CD2 4.3Å; F269-L273 HydrophobicContact CE2-CG 4.3Å; F269-L273 HydrophobicContact CZ-CD1 4.29Å; F269-L273 HydrophobicContact CZ-CD2 4.16Å; F269-L273 HydrophobicContact CZ-CG 4.3Å; F269-L273 WeakPolarHBondContact O-CG 3.38Å; F269-L273 PolarHBondContact O-N 2.98Å; F269-Y318 HydrophobicContact CB-CD1 4.18Å; F269-Y318 HydrophobicContact CB-CE1 3.78Å; F269-Y318 HydrophobicContact CB-CE2 4.38Å; F269-Y318 AromaticContact CD2-CD1 3.9Å; F269-Y318 HydrophobicContact CD2-CD1 3.9Å; F269-Y318 AromaticContact CD2-CE1 3.54Å; F269-Y318 HydrophobicContact CD2-CE1 3.54Å; F269-Y318 HydrophobicContact CE2-CE1 4.44Å; F269-Y318 HydrophobicContact CG-CD1 4.48Å; F269-Y318 AromaticContact CG-CE1 3.95Å; F269-Y318 HydrophobicContact CG-CE1 3.95Å
270	G	95	Very high	94	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.4	-48.2	170.6	0	0	0	0	0	112.4	V266 G268 Y272 L273 M274	V266-G270 VanDerWaalsContact O-CA 3.3Å; V266-G270 WeakPolarHBondContact O-CA 3.39Å; V266-G270 PolarHBondContact O-N 3.45Å; G268-G270 VanDerWaalsContact C-N 3.33Å; G268-G270 PolarHBondContact O-N 2.94Å; G270-Y272 VanDerWaalsContact C-N 3.34Å; G270-Y272 PolarHBondContact O-N 3.06Å; G270-L273 PolarHBondContact O-N 3.43Å; G270-M274 WeakPolarHBondContact O-CB 3.47Å; G270-M274 WeakPolarHBondContact O-CG 3.21Å; G270-M274 PolarHBondContact O-N 3.39Å
271	L	95.4	Very high	94	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-61	-41.2	173.5	-73.8	-178.4	0	0	0	112.3	V242 M267 G268 M274 D275 I281 I290 L292 I295 I319 W332	V242-L271 HydrophobicContact CG1-CD2 4.41Å; M267-L271 WeakPolarHBondContact O-CB 3.41Å; M267-L271 VanDerWaalsContact O-CG 3.32Å; M267-L271 WeakPolarHBondContact O-CG 3.39Å; M267-L271 PolarHBondContact O-N 3.28Å; G268-L271 PolarHBondContact O-N 2.91Å; L271-M274 PolarHBondContact O-N 3.45Å; L271-D275 PolarHBondContact O-N 2.97Å; L271-D275 VanDerWaalsContact O-N 3.15Å; L271-I281 HydrophobicContact CB-CD1 4.37Å; L271-I281 HydrophobicContact CD2-CB 4.41Å; L271-I281 HydrophobicContact CD2-CD1 4.46Å; L271-I281 HydrophobicContact CD2-CG2 4.05Å; L271-I290 HydrophobicContact CD2-CD1 3.77Å; L271-L292 HydrophobicContact CD1-CD2 3.86Å; L271-L292 HydrophobicContact CD2-CD2 3.68Å; L271-L292 HydrophobicContact CG-CD2 4.45Å; L271-I295 HydrophobicContact CD1-CD1 3.8Å; L271-I295 HydrophobicContact CD1-CG2 3.97Å; L271-I295 HydrophobicContact CD2-CD1 4.33Å; L271-I295 HydrophobicContact CG-CD1 4.25Å; L271-I319 HydrophobicContact CD1-CD1 3.84Å; L271-W332 HydrophobicContact CD1-CH2 4.08Å
272	Y	94.7	Very high	94	Very high	58 Å²	58	20.1 Å²	20.1	23%	0.227	11%	0.106	C	C	.	.	H	α-helix	trans	-60.4	-44	176.4	174.7	-89.7	0	0	0	112.2	T221 G268 F269 G270 M274 D275 T321	T221-Y272 HydrophobicContact CG2-CE1 3.65Å; G268-Y272 PolarHBondContact O-N 3.5Å; G268-Y272 VanDerWaalsContact O-N 3.08Å; F269-Y272 AromaticContact CD2-CD1 3.71Å; F269-Y272 HydrophobicContact CD2-CD1 3.71Å; F269-Y272 HydrophobicContact CD2-CE1 4.5Å; F269-Y272 HydrophobicContact CD2-CG 4.26Å; F269-Y272 AromaticContact CE2-CD1 3.59Å; F269-Y272 HydrophobicContact CE2-CD1 3.59Å; F269-Y272 AromaticContact CE2-CE1 3.97Å; F269-Y272 HydrophobicContact CE2-CE1 3.97Å; F269-Y272 PolarHBondContact O-N 3.38Å; G270-Y272 VanDerWaalsContact C-N 3.34Å; G270-Y272 PolarHBondContact O-N 3.06Å; Y272-M274 VanDerWaalsContact C-N 3.3Å; Y272-M274 PolarHBondContact O-N 3.24Å; Y272-D275 PolarHBondContact O-N 2.95Å; Y272-T321 WeakPolarHBondContact CE2-O 3.24Å
273	L	94.2	Very high	93.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-70.8	-23.8	176.3	-67	173.1	0	0	0	113.4	I165 L224 L228 Y234 L238 F269 G270	I165-L273 HydrophobicContact CG1-CD1 4.45Å; I165-L273 HydrophobicContact CG2-CD1 4Å; L224-L273 HydrophobicContact CD2-CD1 3.75Å; L224-L273 HydrophobicContact CD2-CD2 4.14Å; L224-L273 HydrophobicContact CG-CD1 4.47Å; L224-L273 HydrophobicContact CG-CD2 4.38Å; L228-L273 HydrophobicContact CD1-CD1 4.29Å; Y234-L273 WeakPolarHBondContact CE2-O 3.42Å; Y234-L273 PolarHBondContact OH-O 3.45Å; L238-L273 HydrophobicContact CD1-CB 3.86Å; F269-L273 HydrophobicContact CD1-CD1 4.18Å; F269-L273 HydrophobicContact CD2-CG 4.47Å; F269-L273 HydrophobicContact CE1-CD1 4.01Å; F269-L273 HydrophobicContact CE1-CG 4.46Å; F269-L273 HydrophobicContact CE2-CD2 4.3Å; F269-L273 HydrophobicContact CE2-CG 4.3Å; F269-L273 HydrophobicContact CZ-CD1 4.29Å; F269-L273 HydrophobicContact CZ-CD2 4.16Å; F269-L273 HydrophobicContact CZ-CG 4.3Å; F269-L273 WeakPolarHBondContact O-CG 3.38Å; F269-L273 PolarHBondContact O-N 2.98Å; G270-L273 PolarHBondContact O-N 3.43Å
274	M	94.1	Very high	93.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-82.4	-12.6	176.1	-72.2	170.1	63.5	0	0	113.9	L238 A239 V242 G270 L271 Y272 S279 I281 L284 I290	L238-M274 HydrophobicContact CB-CG 3.42Å; L238-M274 VanDerWaalsContact CB-CG 3.42Å; L238-M274 HydrophobicContact CB-SD 3.64Å; L238-M274 HydrophobicContact CD1-CG 3.73Å; L238-M274 HydrophobicContact CG-CG 4.23Å; A239-M274 HydrophobicContact CB-CE 3.62Å; A239-M274 HydrophobicContact CB-SD 4.42Å; V242-M274 HydrophobicContact CG2-SD 4.06Å; G270-M274 WeakPolarHBondContact O-CB 3.47Å; G270-M274 WeakPolarHBondContact O-CG 3.21Å; G270-M274 PolarHBondContact O-N 3.39Å; L271-M274 PolarHBondContact O-N 3.45Å; Y272-M274 VanDerWaalsContact C-N 3.3Å; Y272-M274 PolarHBondContact O-N 3.24Å; M274-S279 CarbonylContact O-C 3.58Å; M274-S279 WeakPolarHBondContact O-CB 3.33Å; M274-S279 PolarHBondContact O-OG 2.9Å; M274-I281 HydrophobicContact CB-CG2 3.57Å; M274-L284 HydrophobicContact CE-CD1 3.43Å; M274-L284 VanDerWaalsContact CE-CD1 3.43Å; M274-I290 HydrophobicContact CE-CD1 4.11Å; M274-I290 HydrophobicContact CE-CG2 4.01Å
275	D	93.6	Very high	93.7	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.016	13%	0.133	C	C	.	.	S	Bend	trans	-110.6	86.9	-178.3	-155.7	55.4	0	0	0	110.7	L271 Y272 N280 I281 A323 H324	L271-D275 PolarHBondContact O-N 2.97Å; L271-D275 VanDerWaalsContact O-N 3.15Å; Y272-D275 PolarHBondContact O-N 2.95Å; D275-N280 VanDerWaalsContact OD1-CA 3.27Å; D275-N280 WeakPolarHBondContact OD1-CA 3.31Å; D275-I281 HydrophobicContact CB-CB 4.48Å; D275-I281 HydrophobicContact CB-CD1 4.18Å; D275-I281 HydrophobicContact CB-CG1 4.06Å; D275-I281 HydrophobicContact CB-CG2 3.87Å; D275-I281 PolarHBondContact OD1-N 3.09Å; D275-A323 VanDerWaalsContact O-CB 3.23Å; D275-A323 WeakPolarHBondContact O-CB 3.35Å; D275-A323 PolarHBondContact OD2-N 3.05Å; D275-A323 VanDerWaalsContact OD2-N 3.16Å; D275-H324 IonicContact OD1-CE1 3.9Å; D275-H324 IonicContact OD1-CG 3.75Å; D275-H324 IonicContact OD1-ND1 3.54Å; D275-H324 PolarHBondContact OD1-ND1 2.99Å; D275-H324 IonicContact OD2-CG 3.34Å; D275-H324 PolarHBondContact OD2-N 3.45Å; D275-H324 IonicContact OD2-ND1 2.66Å; D275-H324 PolarHBondContact OD2-ND1 2.91Å
276	G	90.5	Very high	93.5	Very high	5 Å²	5	29.2 Å²	29.2	5%	0.052	16%	0.161	C	C	.	.	S	Bend	trans	-137.8	-154.2	-173.5	0	0	0	0	0	112.2	S279 H324	G276-S279 CarbonylContact C-O 3.59Å; G276-S279 PolarHBondContact N-O 3.01Å; G276-H324 PolarHBondContact O-CE1 3.31Å; G276-H324 VanDerWaalsContact O-CE1 3.22Å
277	N	88.3	Confident	93.4	Very high	148 Å²	148	36.7 Å²	36.7	79%	0.791	19%	0.193	S	C	*	.	S	Bend	trans	-76.4	-31.2	-179.3	-53.7	-76.8	0	0	0	112.1	E229	E229-N277 WeakPolarHBondContact OE1-CB 3.37Å; E229-N277 PolarHBondContact OE1-N 2.85Å; E229-N277 PolarHBondContact OE1-ND2 3.41Å; E229-N277 VanDerWaalsContact OE1-ND2 3.08Å
278	V	90.3	Very high	93.2	Very high	89 Å²	89	46 Å²	46	54%	0.539	23%	0.233	S	C	.	.	S	Bend	trans	-90.4	-36.7	-175.8	-178.3	0	0	0	0	112.3	E229 Y234	E229-V278 HydrophobicContact CB-CG2 3.98Å; E229-V278 HydrophobicContact CG-CG2 4.11Å; Y234-V278 HydrophobicContact CE1-CB 4.42Å
279	S	91.5	Very high	93.1	Very high	10 Å²	10	48.1 Å²	48.1	7%	0.07	24%	0.242	C	C	.	.			trans	-123.9	150.1	-174.8	170.4	0	0	0	0	111.3	E235 M274 G276	E235-S279 WeakPolarHBondContact CB-OG 3.36Å; M274-S279 CarbonylContact O-C 3.58Å; M274-S279 WeakPolarHBondContact O-CB 3.33Å; M274-S279 PolarHBondContact O-OG 2.9Å; G276-S279 CarbonylContact C-O 3.59Å; G276-S279 PolarHBondContact N-O 3.01Å
280	N	93.2	Very high	93	Very high	18 Å²	18	48.1 Å²	48.1	10%	0.096	24%	0.242	C	C	.	.			trans	-137.6	119.8	-179.9	173	-68.2	0	0	0	109.7	D275 Y282 K283 L284 H324	D275-N280 VanDerWaalsContact OD1-CA 3.27Å; D275-N280 WeakPolarHBondContact OD1-CA 3.31Å; N280-Y282 VanDerWaalsContact C-N 3.28Å; N280-Y282 PolarHBondContact O-N 3.47Å; N280-Y282 WeakPolarHBondContact OD1-CA 3.39Å; N280-Y282 WeakPolarHBondContact OD1-CB 3.43Å; N280-Y282 PolarHBondContact OD1-N 3.25Å; N280-K283 HydrophobicContact CB-CB 4.39Å; N280-K283 HydrophobicContact CB-CD 4.05Å; N280-K283 HydrophobicContact CB-CG 4.25Å; N280-K283 PolarHBondContact O-N 3.31Å; N280-K283 WeakPolarHBondContact OD1-CG 3.37Å; N280-K283 PolarHBondContact OD1-N 2.73Å; N280-L284 PolarHBondContact O-N 3.44Å; N280-H324 PolarHBondContact ND2-CD2 3.3Å; N280-H324 PolarHBondContact ND2-CE1 3.08Å; N280-H324 VanDerWaalsContact ND2-CE1 3.25Å; N280-H324 PolarHBondContact ND2-ND1 2.92Å; N280-H324 VanDerWaalsContact ND2-ND1 3.11Å; N280-H324 PolarHBondContact ND2-NE2 3.16Å
281	I	95.1	Very high	92.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.4	-31.7	-172.6	60.7	179.4	0	0	0	112.3	L271 M274 D275 K283 L284 D285 I290 L292 W332	L271-I281 HydrophobicContact CB-CD1 4.37Å; L271-I281 HydrophobicContact CD2-CB 4.41Å; L271-I281 HydrophobicContact CD2-CD1 4.46Å; L271-I281 HydrophobicContact CD2-CG2 4.05Å; M274-I281 HydrophobicContact CB-CG2 3.57Å; D275-I281 HydrophobicContact CB-CB 4.48Å; D275-I281 HydrophobicContact CB-CD1 4.18Å; D275-I281 HydrophobicContact CB-CG1 4.06Å; D275-I281 HydrophobicContact CB-CG2 3.87Å; D275-I281 PolarHBondContact OD1-N 3.09Å; I281-K283 VanDerWaalsContact C-N 3.33Å; I281-K283 PolarHBondContact O-N 2.93Å; I281-L284 PolarHBondContact O-N 2.97Å; I281-D285 WeakPolarHBondContact O-CB 3.34Å; I281-D285 PolarHBondContact O-N 3.2Å; I281-I290 HydrophobicContact CB-CD1 3.97Å; I281-I290 HydrophobicContact CG2-CD1 4.29Å; I281-L292 HydrophobicContact CD1-CD2 4.4Å; I281-L292 HydrophobicContact CG1-CD1 4.43Å; I281-W332 HydrophobicContact CD1-CZ2 4.36Å
282	Y	94.3	Very high	92.9	Very high	11 Å²	11	51.4 Å²	51.4	4%	0.043	26%	0.259	C	S	.	.	H	α-helix	trans	-71	-29.5	-180	-51.4	-74.3	0	0	0	112.5	N280 A286 L292 H324 N328 K331 W332	N280-Y282 VanDerWaalsContact C-N 3.28Å; N280-Y282 PolarHBondContact O-N 3.47Å; N280-Y282 WeakPolarHBondContact OD1-CA 3.39Å; N280-Y282 WeakPolarHBondContact OD1-CB 3.43Å; N280-Y282 PolarHBondContact OD1-N 3.25Å; Y282-A286 WeakPolarHBondContact O-CB 3.24Å; Y282-A286 PolarHBondContact O-N 3.33Å; Y282-L292 HydrophobicContact CD1-CD1 3.68Å; Y282-L292 HydrophobicContact CE1-CD1 3.97Å; Y282-H324 HydrophobicContact CD2-CB 4.04Å; Y282-H324 HydrophobicContact CE2-CB 3.89Å; Y282-H324 VanDerWaalsContact CE2-O 3.27Å; Y282-H324 WeakPolarHBondContact CE2-O 3.22Å; Y282-N328 HydrophobicContact CD1-CB 3.73Å; Y282-N328 HydrophobicContact CD2-CB 4.05Å; Y282-N328 WeakPolarHBondContact CD2-ND2 3.13Å; Y282-N328 HydrophobicContact CE1-CB 3.43Å; Y282-N328 VanDerWaalsContact CE1-CB 3.43Å; Y282-N328 HydrophobicContact CE2-CB 3.81Å; Y282-N328 HydrophobicContact CG-CB 4Å; Y282-N328 VanDerWaalsContact CG-CG 3.47Å; Y282-N328 VanDerWaalsContact CZ-CB 3.47Å; Y282-K331 HydrophobicContact CD1-CD 3.66Å; Y282-K331 HydrophobicContact CE1-CD 4.15Å; Y282-W332 HydrophobicContact CE1-CZ2 4.08Å; Y282-W332 AromaticContact CE1-NE1 3.44Å; Y282-W332 AromaticContact CZ-NE1 3.67Å; Y282-W332 PolarHBondContact OH-NE1 3.39Å
283	K	93.4	Very high	92.8	Very high	138 Å²	138	52.9 Å²	52.9	60%	0.6	28%	0.278	S	S	*	.	H	α-helix	trans	-74.9	-32.6	169.9	-67	176.6	-168	165	0	112.1	N280 I281 K287	N280-K283 HydrophobicContact CB-CB 4.39Å; N280-K283 HydrophobicContact CB-CD 4.05Å; N280-K283 HydrophobicContact CB-CG 4.25Å; N280-K283 PolarHBondContact O-N 3.31Å; N280-K283 WeakPolarHBondContact OD1-CG 3.37Å; N280-K283 PolarHBondContact OD1-N 2.73Å; I281-K283 VanDerWaalsContact C-N 3.33Å; I281-K283 PolarHBondContact O-N 2.93Å; K283-K287 WeakPolarHBondContact O-CG 3.45Å; K283-K287 PolarHBondContact O-N 3.42Å
284	L	93.3	Very high	92.8	Very high	8 Å²	8	56.1 Å²	56.1	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-70	-42.4	173.7	-65.7	175.3	0	0	0	111.4	E235 M274 N280 I281 K287 K288 R289 I290	E235-L284 HydrophobicContact CB-CD1 4.41Å; E235-L284 HydrophobicContact CG-CD1 4.39Å; M274-L284 HydrophobicContact CE-CD1 3.43Å; M274-L284 VanDerWaalsContact CE-CD1 3.43Å; N280-L284 PolarHBondContact O-N 3.44Å; I281-L284 PolarHBondContact O-N 2.97Å; L284-K287 CarbonylContact O-C 3.34Å; L284-K287 WeakPolarHBondContact O-CA 3.41Å; L284-K287 WeakPolarHBondContact O-CB 3.31Å; L284-K287 PolarHBondContact O-N 3.08Å; L284-K287 VanDerWaalsContact O-N 3.13Å; L284-K288 PolarHBondContact O-N 2.83Å; L284-R289 HydrophobicContact CB-CB 4.21Å; L284-R289 HydrophobicContact CD2-CB 4.41Å; L284-R289 HydrophobicContact CD2-CG 4.25Å; L284-R289 VanDerWaalsContact O-CB 3.31Å; L284-R289 WeakPolarHBondContact O-CB 3.24Å; L284-R289 PolarHBondContact O-N 2.88Å; L284-I290 HydrophobicContact CB-CD1 3.97Å; L284-I290 HydrophobicContact CB-CG1 4.01Å
285	D	93.2	Very high	92.9	Very high	38 Å²	38	56.1 Å²	56.1	20%	0.203	29%	0.292	C	S	.	.	H	α-helix	trans	-58.4	-45.5	171.5	-178.7	67.7	0	0	0	112	I281 K287 K288 I290 L292 K331	I281-D285 WeakPolarHBondContact O-CB 3.34Å; I281-D285 PolarHBondContact O-N 3.2Å; D285-K287 PolarHBondContact O-N 3.12Å; D285-K288 WeakPolarHBondContact O-CA 3.39Å; D285-K288 PolarHBondContact O-N 3.27Å; D285-I290 HydrophobicContact CB-CG1 4.31Å; D285-L292 HydrophobicContact CB-CD1 3.56Å; D285-L292 HydrophobicContact CB-CG 3.75Å; D285-L292 WeakPolarHBondContact OD1-CG 3.31Å; D285-L292 PolarHBondContact OD1-N 2.92Å; D285-L292 VanDerWaalsContact OD1-N 3.07Å; D285-K331 IonicContact OD2-NZ 3.78Å; D285-K331 PolarHBondContact OD2-NZ 3.02Å
286	A	92.6	Very high	92.9	Very high	80 Å²	80	56.6 Å²	56.6	66%	0.661	30%	0.295	S	S	*	.	H	α-helix	trans	-61.4	-29.8	174.1	0	0	0	0	0	113.5	Y282 K288	Y282-A286 WeakPolarHBondContact O-CB 3.24Å; Y282-A286 PolarHBondContact O-N 3.33Å; A286-K288 VanDerWaalsContact C-N 3.25Å; A286-K288 PolarHBondContact O-N 3.46Å
287	K	93.1	Very high	93	Very high	158 Å²	158	63 Å²	63	69%	0.687	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	1.6	171.4	-68.4	171.8	-177.7	178.6	0	113.4	K283 L284 D285 R289	K283-K287 WeakPolarHBondContact O-CG 3.45Å; K283-K287 PolarHBondContact O-N 3.42Å; L284-K287 CarbonylContact O-C 3.34Å; L284-K287 WeakPolarHBondContact O-CA 3.41Å; L284-K287 WeakPolarHBondContact O-CB 3.31Å; L284-K287 PolarHBondContact O-N 3.08Å; L284-K287 VanDerWaalsContact O-N 3.13Å; D285-K287 PolarHBondContact O-N 3.12Å; K287-R289 HydrophobicContact CB-CB 4.44Å; K287-R289 PolarHBondContact O-N 3.36Å
288	K	92.3	Very high	93.3	Very high	195 Å²	195	56.6 Å²	56.6	85%	0.848	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	27.2	-171.2	-54.3	-177.8	179.6	-178.1	0	113.5	L284 D285 A286	L284-K288 PolarHBondContact O-N 2.83Å; D285-K288 WeakPolarHBondContact O-CA 3.39Å; D285-K288 PolarHBondContact O-N 3.27Å; A286-K288 VanDerWaalsContact C-N 3.25Å; A286-K288 PolarHBondContact O-N 3.46Å
289	R	92.1	Very high	93.4	Very high	46 Å²	46	52.3 Å²	52.3	17%	0.174	26%	0.261	C	S	.	.	S	Bend	trans	-79.2	-28	-177.9	-177.6	53.4	176	100.8	-6.4	112.9	E236 A239 D240 N243 L284 K287	E236-R289 PolarHBondContact O-NH2 2.67Å; E236-R289 IonicContact OE1-NE 3.31Å; E236-R289 IonicContact OE2-CZ 2.79Å; E236-R289 IonicContact OE2-NE 3.85Å; E236-R289 PolarHBondContact OE2-NE 3.48Å; E236-R289 IonicContact OE2-NH2 3.57Å; E236-R289 PolarHBondContact OE2-NH2 3.49Å; A239-R289 HydrophobicContact CB-CG 4.23Å; D240-R289 IonicContact OD1-CZ 3.59Å; D240-R289 IonicContact OD1-NH1 2.72Å; D240-R289 PolarHBondContact OD1-NH1 3.21Å; D240-R289 IonicContact OD1-NH2 3.59Å; D240-R289 PolarHBondContact OD1-NH2 3.23Å; D240-R289 IonicContact OD2-NH2 3.45Å; N243-R289 PolarHBondContact ND2-NH1 3.47Å; N243-R289 PolarHBondContact ND2-O 2.89Å; L284-R289 HydrophobicContact CB-CB 4.21Å; L284-R289 HydrophobicContact CD2-CB 4.41Å; L284-R289 HydrophobicContact CD2-CG 4.25Å; L284-R289 VanDerWaalsContact O-CB 3.31Å; L284-R289 WeakPolarHBondContact O-CB 3.24Å; L284-R289 PolarHBondContact O-N 2.88Å; K287-R289 HydrophobicContact CB-CB 4.44Å; K287-R289 PolarHBondContact O-N 3.36Å
290	I	93.4	Very high	93.4	Very high	5 Å²	5	55 Å²	55	3%	0.026	27%	0.271	C	S	.	.	S	Bend	trans	-135.6	166.9	169.9	56.8	-179.3	0	0	0	107.4	A239 L271 M274 I281 L284 D285 L292	A239-I290 HydrophobicContact CB-CG2 3.75Å; L271-I290 HydrophobicContact CD2-CD1 3.77Å; M274-I290 HydrophobicContact CE-CD1 4.11Å; M274-I290 HydrophobicContact CE-CG2 4.01Å; I281-I290 HydrophobicContact CB-CD1 3.97Å; I281-I290 HydrophobicContact CG2-CD1 4.29Å; L284-I290 HydrophobicContact CB-CD1 3.97Å; L284-I290 HydrophobicContact CB-CG1 4.01Å; D285-I290 HydrophobicContact CB-CG1 4.31Å; I290-L292 HydrophobicContact CD1-CD2 3.75Å; I290-L292 HydrophobicContact CD1-CG 4.34Å; I290-L292 HydrophobicContact CG1-CD2 4.32Å
291	N	93.1	Very high	93.2	Very high	64 Å²	64	58.5 Å²	58.5	34%	0.342	29%	0.287	S	S	.	.			trans	-124	93.2	178.1	-173.9	-30.7	0	0	0	110	S293 K294	N291-S293 VanDerWaalsContact C-N 3.25Å; N291-S293 PolarHBondContact O-N 3.3Å; N291-S293 PolarHBondContact OD1-N 3.29Å; N291-K294 PolarHBondContact O-N 3.18Å; N291-K294 PolarHBondContact OD1-N 3.01Å
292	L	94.3	Very high	93	Very high	6 Å²	6	58.5 Å²	58.5	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-67.1	-29	-177.6	-60.4	178.2	0	0	0	111.9	L271 I281 Y282 D285 I290 K294 I295 D296 W332	L271-L292 HydrophobicContact CD1-CD2 3.86Å; L271-L292 HydrophobicContact CD2-CD2 3.68Å; L271-L292 HydrophobicContact CG-CD2 4.45Å; I281-L292 HydrophobicContact CD1-CD2 4.4Å; I281-L292 HydrophobicContact CG1-CD1 4.43Å; Y282-L292 HydrophobicContact CD1-CD1 3.68Å; Y282-L292 HydrophobicContact CE1-CD1 3.97Å; D285-L292 HydrophobicContact CB-CD1 3.56Å; D285-L292 HydrophobicContact CB-CG 3.75Å; D285-L292 WeakPolarHBondContact OD1-CG 3.31Å; D285-L292 PolarHBondContact OD1-N 2.92Å; D285-L292 VanDerWaalsContact OD1-N 3.07Å; I290-L292 HydrophobicContact CD1-CD2 3.75Å; I290-L292 HydrophobicContact CD1-CG 4.34Å; I290-L292 HydrophobicContact CG1-CD2 4.32Å; L292-K294 PolarHBondContact O-N 3.35Å; L292-I295 PolarHBondContact O-N 2.93Å; L292-D296 WeakPolarHBondContact O-CB 3.46Å; L292-D296 PolarHBondContact O-N 3Å; L292-W332 HydrophobicContact CB-CH2 4Å; L292-W332 HydrophobicContact CB-CZ2 4.38Å; L292-W332 HydrophobicContact CD1-CZ2 4.16Å; L292-W332 HydrophobicContact CD2-CH2 3.88Å; L292-W332 HydrophobicContact CD2-CZ2 4.19Å; L292-W332 HydrophobicContact CG-CH2 4.33Å; L292-W332 HydrophobicContact CG-CZ2 4.47Å
293	S	93.7	Very high	92.8	Very high	89 Å²	89	58.8 Å²	58.8	62%	0.622	29%	0.288	S	S	*	.	H	α-helix	trans	-65.2	-36.9	178.8	179	0	0	0	0	113.2	N291 K297	N291-S293 VanDerWaalsContact C-N 3.25Å; N291-S293 PolarHBondContact O-N 3.3Å; N291-S293 PolarHBondContact OD1-N 3.29Å; S293-K297 PolarHBondContact O-N 3.06Å; S293-K297 VanDerWaalsContact O-N 3.1Å
294	K	94.5	Very high	92.8	Very high	68 Å²	68	52.2 Å²	52.2	30%	0.296	26%	0.26	S	S	.	.	H	α-helix	trans	-65.7	-44.3	172.3	-76	-170.8	-177.9	-167.2	0	111.6	V246 E250 N291 L292 K297 F298	V246-K294 HydrophobicContact CG1-CB 4.25Å; V246-K294 HydrophobicContact CG1-CD 3.99Å; E250-K294 VanDerWaalsContact OE1-CE 3.3Å; E250-K294 WeakPolarHBondContact OE1-CE 3.27Å; E250-K294 IonicContact OE1-NZ 3.51Å; E250-K294 PolarHBondContact OE1-NZ 2.81Å; E250-K294 IonicContact OE2-NZ 2.73Å; E250-K294 PolarHBondContact OE2-NZ 2.93Å; N291-K294 PolarHBondContact O-N 3.18Å; N291-K294 PolarHBondContact OD1-N 3.01Å; L292-K294 PolarHBondContact O-N 3.35Å; K294-K297 PolarHBondContact O-N 2.82Å; K294-F298 HydrophobicContact CB-CE2 4.34Å; K294-F298 HydrophobicContact CB-CZ 4.38Å; K294-F298 WeakPolarHBondContact O-CD2 3.4Å; K294-F298 VanDerWaalsContact O-CG 3.22Å; K294-F298 WeakPolarHBondContact O-CG 3.24Å; K294-F298 PolarHBondContact O-N 3.12Å
295	I	95	Very high	92.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.6	-42.7	-179.7	-59.6	171.1	0	0	0	110.6	V242 V246 M267 L271 L292 K297 F298 F299	V242-I295 HydrophobicContact CG1-CD1 3.66Å; V246-I295 HydrophobicContact CG2-CD1 3.91Å; V246-I295 HydrophobicContact CG2-CG1 3.6Å; M267-I295 HydrophobicContact CB-CG2 4.33Å; M267-I295 HydrophobicContact SD-CG1 4.12Å; M267-I295 HydrophobicContact SD-CG2 4.47Å; L271-I295 HydrophobicContact CD1-CD1 3.8Å; L271-I295 HydrophobicContact CD1-CG2 3.97Å; L271-I295 HydrophobicContact CD2-CD1 4.33Å; L271-I295 HydrophobicContact CG-CD1 4.25Å; L292-I295 PolarHBondContact O-N 2.93Å; I295-K297 PolarHBondContact O-N 3.47Å; I295-F298 PolarHBondContact O-N 3.25Å; I295-F299 HydrophobicContact CG2-CD1 4.27Å; I295-F299 HydrophobicContact CG2-CD2 4.24Å; I295-F299 HydrophobicContact CG2-CE1 4.01Å; I295-F299 HydrophobicContact CG2-CE2 3.99Å; I295-F299 HydrophobicContact CG2-CG 4.38Å; I295-F299 HydrophobicContact CG2-CZ 3.87Å; I295-F299 WeakPolarHBondContact O-CB 3.41Å; I295-F299 PolarHBondContact O-N 2.98Å
296	D	94	Very high	92.8	Very high	12 Å²	12	51.3 Å²	51.3	6%	0.064	26%	0.256	C	S	.	.	H	α-helix	trans	-56.7	-46.9	172.9	-175.2	63.8	0	0	0	111.8	L292 F298 F299 K300 W332 T333 C334	L292-D296 WeakPolarHBondContact O-CB 3.46Å; L292-D296 PolarHBondContact O-N 3Å; D296-F298 PolarHBondContact O-N 3.32Å; D296-F299 PolarHBondContact O-N 3.35Å; D296-K300 VanDerWaalsContact O-CB 3.28Å; D296-K300 WeakPolarHBondContact O-CB 3.3Å; D296-K300 PolarHBondContact O-N 3.07Å; D296-W332 HydrophobicContact CB-CE3 3.79Å; D296-W332 HydrophobicContact CB-CZ3 3.96Å; D296-W332 WeakPolarHBondContact OD1-CA 3.27Å; D296-T333 VanDerWaalsContact CG-N 3.3Å; D296-T333 PolarHBondContact OD1-N 3.25Å; D296-T333 WeakPolarHBondContact OD2-CB 3.16Å; D296-T333 PolarHBondContact OD2-N 2.78Å; D296-T333 VanDerWaalsContact OD2-N 3.15Å; D296-T333 PolarHBondContact OD2-OG1 3.49Å; D296-C334 WeakPolarHBondContact OD1-CB 3.43Å; D296-C334 PolarHBondContact OD1-N 3.27Å; D296-C334 PolarHBondContact OD1-SG 2.64Å
297	K	92.8	Very high	92.8	Very high	139 Å²	139	48 Å²	48	60%	0.604	23%	0.227	S	C	*	.	H	α-helix	trans	-59.4	-45.1	176	-177.9	-177.7	175.4	-174.8	0	111.9	S293 K294 I295 K300 Q301	S293-K297 PolarHBondContact O-N 3.06Å; S293-K297 VanDerWaalsContact O-N 3.1Å; K294-K297 PolarHBondContact O-N 2.82Å; I295-K297 PolarHBondContact O-N 3.47Å; K297-K300 PolarHBondContact O-N 3.02Å; K297-Q301 WeakPolarHBondContact O-CB 3.37Å; K297-Q301 PolarHBondContact O-N 3.45Å
298	F	93.8	Very high	92.9	Very high	14 Å²	14	41.4 Å²	41.4	6%	0.061	20%	0.199	C	C	.	.	H	α-helix	trans	-65.4	-44	179.6	-59.8	-23.5	0	0	0	111.9	V246 Y249 E250 L264 M267 K294 I295 D296 K300 Q301 L302	V246-F298 HydrophobicContact CG1-CE2 4.14Å; Y249-F298 HydrophobicContact CD1-CB 4.32Å; Y249-F298 AromaticContact CD1-CD1 3.78Å; Y249-F298 HydrophobicContact CD1-CD1 3.78Å; Y249-F298 AromaticContact CD1-CD2 3.62Å; Y249-F298 HydrophobicContact CD1-CD2 3.62Å; Y249-F298 AromaticContact CD1-CE1 3.92Å; Y249-F298 HydrophobicContact CD1-CE1 3.92Å; Y249-F298 AromaticContact CD1-CE2 3.74Å; Y249-F298 HydrophobicContact CD1-CE2 3.74Å; Y249-F298 AromaticContact CD1-CG 3.65Å; Y249-F298 HydrophobicContact CD1-CG 3.65Å; Y249-F298 AromaticContact CD1-CZ 3.91Å; Y249-F298 HydrophobicContact CD1-CZ 3.91Å; Y249-F298 HydrophobicContact CE1-CB 4.01Å; Y249-F298 AromaticContact CE1-CD1 3.7Å; Y249-F298 HydrophobicContact CE1-CD1 3.7Å; Y249-F298 HydrophobicContact CE1-CD2 4.16Å; Y249-F298 HydrophobicContact CE1-CE1 4.19Å; Y249-F298 AromaticContact CE1-CG 3.7Å; Y249-F298 HydrophobicContact CE1-CG 3.7Å; Y249-F298 HydrophobicContact CG-CD2 4.36Å; Y249-F298 HydrophobicContact CG-CE2 4.45Å; E250-F298 HydrophobicContact CB-CZ 4.02Å; E250-F298 HydrophobicContact CG-CZ 4.43Å; L264-F298 HydrophobicContact CD2-CB 3.96Å; M267-F298 HydrophobicContact CE-CD2 4.26Å; M267-F298 HydrophobicContact SD-CD2 4.08Å; K294-F298 HydrophobicContact CB-CE2 4.34Å; K294-F298 HydrophobicContact CB-CZ 4.38Å; K294-F298 WeakPolarHBondContact O-CD2 3.4Å; K294-F298 VanDerWaalsContact O-CG 3.22Å; K294-F298 WeakPolarHBondContact O-CG 3.24Å; K294-F298 PolarHBondContact O-N 3.12Å; I295-F298 PolarHBondContact O-N 3.25Å; D296-F298 PolarHBondContact O-N 3.32Å; F298-K300 VanDerWaalsContact C-N 3.32Å; F298-K300 PolarHBondContact O-N 2.97Å; F298-Q301 PolarHBondContact O-N 3.44Å; F298-L302 PolarHBondContact O-N 3.47Å
299	F	93.2	Very high	92.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-70.2	-27.5	178	-73.9	9.3	0	0	0	112.8	L264 M267 I295 D296 L302 Q303 L315 I319 C334	L264-F299 HydrophobicContact CB-CE1 4.25Å; L264-F299 HydrophobicContact CD2-CD1 4.21Å; L264-F299 HydrophobicContact CD2-CE1 4.08Å; M267-F299 HydrophobicContact CB-CE1 4.25Å; M267-F299 HydrophobicContact CB-CZ 4.12Å; I295-F299 HydrophobicContact CG2-CD1 4.27Å; I295-F299 HydrophobicContact CG2-CD2 4.24Å; I295-F299 HydrophobicContact CG2-CE1 4.01Å; I295-F299 HydrophobicContact CG2-CE2 3.99Å; I295-F299 HydrophobicContact CG2-CG 4.38Å; I295-F299 HydrophobicContact CG2-CZ 3.87Å; I295-F299 WeakPolarHBondContact O-CB 3.41Å; I295-F299 PolarHBondContact O-N 2.98Å; D296-F299 PolarHBondContact O-N 3.35Å; F299-L302 CarbonylContact C-O 3.52Å; F299-L302 WeakPolarHBondContact CA-O 3.38Å; F299-L302 CarbonylContact O-C 3.6Å; F299-Q303 VanDerWaalsContact O-CA 3.25Å; F299-Q303 WeakPolarHBondContact O-CA 3.22Å; F299-Q303 VanDerWaalsContact O-CG 3.27Å; F299-Q303 WeakPolarHBondContact O-CG 3.38Å; F299-Q303 PolarHBondContact O-N 2.93Å; F299-L315 HydrophobicContact CD1-CB 3.95Å; F299-L315 HydrophobicContact CD1-CD1 3.96Å; F299-L315 HydrophobicContact CD1-CG 4.48Å; F299-L315 HydrophobicContact CD2-CB 3.85Å; F299-L315 HydrophobicContact CE1-CB 4.03Å; F299-L315 HydrophobicContact CE1-CD1 4.08Å; F299-L315 HydrophobicContact CE1-CD2 4.32Å; F299-L315 HydrophobicContact CE1-CG 4.38Å; F299-L315 HydrophobicContact CE2-CB 3.92Å; F299-L315 WeakPolarHBondContact CE2-O 3.41Å; F299-L315 HydrophobicContact CG-CB 3.86Å; F299-L315 HydrophobicContact CZ-CB 4Å; F299-L315 HydrophobicContact CZ-CD2 4.36Å; F299-I319 HydrophobicContact CD2-CG1 4.18Å; F299-I319 HydrophobicContact CE2-CD1 4.23Å; F299-I319 HydrophobicContact CE2-CG1 4.15Å; F299-C334 HydrophobicContact CB-CB 3.68Å
300	K	90.6	Very high	92.9	Very high	67 Å²	67	30.3 Å²	30.3	29%	0.291	15%	0.154	S	C	.	.	H	α-helix	trans	-73.6	-38.3	172.8	-177.2	161.5	-175	160	0	112.3	D296 K297 F298 T333 C334	D296-K300 VanDerWaalsContact O-CB 3.28Å; D296-K300 WeakPolarHBondContact O-CB 3.3Å; D296-K300 PolarHBondContact O-N 3.07Å; K297-K300 PolarHBondContact O-N 3.02Å; F298-K300 VanDerWaalsContact C-N 3.32Å; F298-K300 PolarHBondContact O-N 2.97Å; K300-T333 VanDerWaalsContact CD-OG1 3.24Å; K300-T333 WeakPolarHBondContact CD-OG1 3.45Å; K300-C334 HydrophobicContact CB-CB 3.99Å
301	Q	88.9	Confident	92.9	Very high	91 Å²	91	30.5 Å²	30.5	43%	0.425	16%	0.155	S	C	.	.	H	α-helix	trans	-66.5	-51.3	176.4	171.6	169.2	2.6	0	0	111.2	K297 F298 S340 Q342	K297-Q301 WeakPolarHBondContact O-CB 3.37Å; K297-Q301 PolarHBondContact O-N 3.45Å; F298-Q301 PolarHBondContact O-N 3.44Å; Q301-S340 PolarHBondContact O-OG 3.45Å; Q301-Q342 PolarHBondContact O-OE1 3.31Å
302	L	91.2	Very high	92.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-123.5	102.8	177.4	176.4	50.9	0	0	0	109.3	L264 F298 F299 V304 V305 L315 Y343 E409	L264-L302 HydrophobicContact CD1-CB 4.35Å; L264-L302 HydrophobicContact CD1-CD2 3.65Å; L264-L302 HydrophobicContact CD1-CG 4.02Å; F298-L302 PolarHBondContact O-N 3.47Å; F299-L302 CarbonylContact C-O 3.52Å; F299-L302 WeakPolarHBondContact CA-O 3.38Å; F299-L302 CarbonylContact O-C 3.6Å; L302-V304 VanDerWaalsContact CD1-O 3.31Å; L302-V304 WeakPolarHBondContact CD1-O 3.18Å; L302-V305 HydrophobicContact CD1-CG1 4.11Å; L302-V305 HydrophobicContact CD2-CG1 3.87Å; L302-V305 HydrophobicContact CG-CG1 3.87Å; L302-L315 WeakPolarHBondContact O-CD1 3.41Å; L302-Y343 HydrophobicContact CD1-CE1 4.48Å; L302-E409 HydrophobicContact CD1-CB 4.07Å; L302-E409 HydrophobicContact CD1-CG 3.72Å; L302-E409 HydrophobicContact CD2-CG 4.13Å; L302-E409 WeakPolarHBondContact CD2-OE1 3.28Å
303	Q	90.6	Very high	92.8	Very high	16 Å²	16	28.6 Å²	28.6	8%	0.075	14%	0.144	C	C	.	.			trans	-87.1	-33.5	-171	-65.7	167.2	-4.6	0	0	113.6	F299 L315 S338 Y343	F299-Q303 VanDerWaalsContact O-CA 3.25Å; F299-Q303 WeakPolarHBondContact O-CA 3.22Å; F299-Q303 VanDerWaalsContact O-CG 3.27Å; F299-Q303 WeakPolarHBondContact O-CG 3.38Å; F299-Q303 PolarHBondContact O-N 2.93Å; Q303-L315 PolarHBondContact O-N 3.39Å; Q303-S338 PolarHBondContact NE2-O 3.1Å; Q303-Y343 HydrophobicContact CB-CE2 4.49Å; Q303-Y343 PolarHBondContact N-OH 3.31Å
304	V	92.2	Very high	92.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	134.2	-170	-170.1	0	0	0	0	109.5	L302 Q312 I313 Y343 S412 W413 V416	L302-V304 VanDerWaalsContact CD1-O 3.31Å; L302-V304 WeakPolarHBondContact CD1-O 3.18Å; V304-Q312 HydrophobicContact CG1-CB 3.95Å; V304-I313 WeakPolarHBondContact CA-O 3.33Å; V304-Y343 PolarHBondContact N-OH 3.47Å; V304-S412 WeakPolarHBondContact CG1-O 3.32Å; V304-W413 HydrophobicContact CG2-CG 4.49Å; V304-V416 HydrophobicContact CB-CG2 4.32Å; V304-V416 HydrophobicContact CG1-CG1 4.11Å; V304-V416 HydrophobicContact CG1-CG2 3.77Å; V304-V416 HydrophobicContact CG2-CG2 3.63Å
305	V	93.4	Very high	92.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	159.1	175.9	-64.3	0	0	0	0	111.1	H261 L264 K265 L302 L307 I313 L315	H261-V305 HydrophobicContact CB-CB 4.08Å; H261-V305 HydrophobicContact CB-CG1 4.25Å; H261-V305 HydrophobicContact CB-CG2 4.45Å; L264-V305 HydrophobicContact CD1-CG1 4.38Å; K265-V305 HydrophobicContact CD-CG2 4.14Å; K265-V305 HydrophobicContact CG-CG2 3.83Å; L302-V305 HydrophobicContact CD1-CG1 4.11Å; L302-V305 HydrophobicContact CD2-CG1 3.87Å; L302-V305 HydrophobicContact CG-CG1 3.87Å; V305-L307 PolarHBondContact O-N 2.88Å; V305-I313 HydrophobicContact CG2-CG2 3.76Å; V305-I313 PolarHBondContact N-O 3.37Å; V305-I313 VanDerWaalsContact N-O 3.16Å; V305-I313 WeakPolarHBondContact O-CG2 3.45Å; V305-I313 PolarHBondContact O-N 2.97Å; V305-L315 HydrophobicContact CG1-CD1 4.23Å; V305-L315 HydrophobicContact CG2-CD1 4.23Å; V305-L315 HydrophobicContact CG2-CD2 3.96Å; V305-L315 HydrophobicContact CG2-CG 4.16Å
306	P	94	Very high	92.5	Very high	27 Å²	27	24.5 Å²	24.5	18%	0.175	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	127.1	173	-23.5	34.2	0	0	0	112.2	K265 S412	K265-P306 PolarHBondContact NZ-O 3.34Å; P306-S412 WeakPolarHBondContact CD-OG 3.31Å; P306-S412 WeakPolarHBondContact CG-OG 3.13Å
307	L	93.6	Very high	92.5	Very high	10 Å²	10	29 Å²	29	5%	0.052	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-58.9	169	-174.9	54.1	0	0	0	109.3	V170 E173 K265 V305 M311 I313	V170-L307 HydrophobicContact CG2-CD1 3.58Å; V170-L307 HydrophobicContact CG2-CG 4.13Å; E173-L307 HydrophobicContact CB-CD2 3.86Å; E173-L307 HydrophobicContact CG-CD2 4Å; K265-L307 HydrophobicContact CD-CD1 3.96Å; K265-L307 PolarHBondContact NZ-O 2.86Å; V305-L307 PolarHBondContact O-N 2.88Å; L307-M311 WeakPolarHBondContact CA-O 3.39Å; L307-M311 HydrophobicContact CB-CE 4.36Å; L307-M311 WeakPolarHBondContact CB-O 3.23Å; L307-M311 HydrophobicContact CD2-CE 3.74Å; L307-M311 HydrophobicContact CG-CE 3.98Å; L307-M311 PolarHBondContact N-O 3.48Å; L307-I313 HydrophobicContact CB-CB 4.03Å; L307-I313 HydrophobicContact CB-CG2 3.95Å; L307-I313 HydrophobicContact CD1-CG2 4.3Å; L307-I313 HydrophobicContact CD2-CB 4.28Å
308	F	93.2	Very high	92.5	Very high	20 Å²	20	23 Å²	23	9%	0.088	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	123	173.5	-165.7	-81.3	0	0	0	110.9	H77 A80 V81 Y84 V170 L174 M311 F706	H77-F308 AromaticContact CE1-CE2 3.93Å; A80-F308 HydrophobicContact CB-CD2 3.99Å; A80-F308 HydrophobicContact CB-CE2 3.51Å; A80-F308 HydrophobicContact CB-CZ 3.93Å; V81-F308 HydrophobicContact CG2-CZ 3.94Å; Y84-F308 VanDerWaalsContact CB-CE1 3.4Å; Y84-F308 HydrophobicContact CD1-CD1 4.25Å; Y84-F308 AromaticContact CD1-CE1 3.86Å; Y84-F308 HydrophobicContact CD1-CE1 3.86Å; Y84-F308 AromaticContact CD2-CD1 3.78Å; Y84-F308 HydrophobicContact CD2-CD1 3.78Å; Y84-F308 HydrophobicContact CD2-CE1 4.18Å; Y84-F308 HydrophobicContact CE2-CD1 4.48Å; Y84-F308 AromaticContact CG-CD1 3.65Å; Y84-F308 HydrophobicContact CG-CD1 3.65Å; Y84-F308 AromaticContact CG-CE1 3.55Å; Y84-F308 HydrophobicContact CG-CE1 3.55Å; V170-F308 HydrophobicContact CG1-CB 4.06Å; V170-F308 HydrophobicContact CG1-CD2 3.75Å; V170-F308 HydrophobicContact CG1-CG 4.17Å; L174-F308 HydrophobicContact CD1-CB 4.32Å; L174-F308 HydrophobicContact CD1-CD1 4.08Å; L174-F308 HydrophobicContact CD1-CD2 4.43Å; L174-F308 HydrophobicContact CD1-CG 4.02Å; L174-F308 HydrophobicContact CD2-CB 4.41Å; L174-F308 HydrophobicContact CD2-CD1 4.23Å; F308-M311 HydrophobicContact CB-CE 4.37Å; F308-M311 PolarHBondContact N-O 3.18Å; F308-M311 VanDerWaalsContact O-CB 3.29Å; F308-M311 WeakPolarHBondContact O-CB 3.22Å; F308-M311 PolarHBondContact O-N 3.4Å; F308-M311 VanDerWaalsContact O-N 3.13Å; F308-F706 AromaticContact CE1-CE1 3.81Å; F308-F706 HydrophobicContact CE1-CE1 3.81Å; F308-F706 HydrophobicContact CE1-CZ 4.49Å; F308-F706 HydrophobicContact CZ-CE1 4.07Å
309	G	92.3	Very high	92.5	Very high	8 Å²	8	22.3 Å²	22.3	8%	0.082	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	-139.1	-176.1	0	0	0	0	0	112.6	M311 Q312	G309-M311 PolarHBondContact O-N 2.86Å; G309-Q312 PolarHBondContact O-NE2 3.48Å
310	D	93	Very high	92.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-9	170.6	63.1	-47.6	0	0	0	114	Y84 Q312 L415 F647 R648 E649 F650 F651	Y84-D310 WeakPolarHBondContact CE2-OD1 3.07Å; Y84-D310 VanDerWaalsContact CZ-OD1 3.25Å; Y84-D310 PolarHBondContact OH-N 2.82Å; Y84-D310 PolarHBondContact OH-OD1 3.03Å; D310-Q312 PolarHBondContact O-N 2.88Å; D310-Q312 PolarHBondContact O-NE2 2.8Å; D310-L415 HydrophobicContact CB-CD1 4.42Å; D310-F647 WeakPolarHBondContact CB-O 3.46Å; D310-R648 VanDerWaalsContact CG-CA 3.4Å; D310-R648 VanDerWaalsContact OD2-CA 3.26Å; D310-R648 WeakPolarHBondContact OD2-CA 3.19Å; D310-E649 PolarHBondContact OD1-N 3.48Å; D310-E649 VanDerWaalsContact OD1-N 3.16Å; D310-F650 PolarHBondContact OD1-N 3.26Å; D310-F650 WeakPolarHBondContact OD2-CA 3.42Å; D310-F650 WeakPolarHBondContact OD2-CB 3.49Å; D310-F650 PolarHBondContact OD2-N 3Å; D310-F651 HydrophobicContact CB-CD2 4.27Å; D310-F651 VanDerWaalsContact OD2-CD2 3.26Å; D310-F651 WeakPolarHBondContact OD2-CD2 3.21Å; D310-F651 PolarHBondContact OD2-N 3.4Å
311	M	92.7	Very high	92.5	Very high	10 Å²	10	26.3 Å²	26.3	5%	0.049	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	113.8	172.7	-168.7	179.4	60.9	0	0	110.4	E173 L174 M177 L307 F308 G309 F650	E173-M311 HydrophobicContact CB-CE 4.02Å; E173-M311 HydrophobicContact CB-SD 4.15Å; L174-M311 HydrophobicContact CD2-CE 3.54Å; L174-M311 HydrophobicContact CD2-SD 4.33Å; L174-M311 HydrophobicContact CG-CE 3.68Å; M177-M311 HydrophobicContact CG-SD 4.03Å; L307-M311 WeakPolarHBondContact CA-O 3.39Å; L307-M311 HydrophobicContact CB-CE 4.36Å; L307-M311 WeakPolarHBondContact CB-O 3.23Å; L307-M311 HydrophobicContact CD2-CE 3.74Å; L307-M311 HydrophobicContact CG-CE 3.98Å; L307-M311 PolarHBondContact N-O 3.48Å; F308-M311 HydrophobicContact CB-CE 4.37Å; F308-M311 PolarHBondContact N-O 3.18Å; F308-M311 VanDerWaalsContact O-CB 3.29Å; F308-M311 WeakPolarHBondContact O-CB 3.22Å; F308-M311 PolarHBondContact O-N 3.4Å; F308-M311 VanDerWaalsContact O-N 3.13Å; G309-M311 PolarHBondContact O-N 2.86Å; M311-F650 HydrophobicContact CB-CB 4.03Å; M311-F650 HydrophobicContact CB-CD2 4.14Å; M311-F650 HydrophobicContact CB-CG 3.99Å; M311-F650 HydrophobicContact CG-CD2 3.89Å; M311-F650 HydrophobicContact CG-CE2 4.12Å; M311-F650 HydrophobicContact CG-CG 4.2Å; M311-F650 HydrophobicContact SD-CD2 4.2Å; M311-F650 HydrophobicContact SD-CE2 4.47Å
312	Q	93.1	Very high	92.7	Very high	22 Å²	22	22.3 Å²	22.3	10%	0.103	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	163.1	-179.8	-48.1	-50.8	-49.1	0	0	111.5	V304 G309 D310 S412 L415 V416	V304-Q312 HydrophobicContact CG1-CB 3.95Å; G309-Q312 PolarHBondContact O-NE2 3.48Å; D310-Q312 PolarHBondContact O-N 2.88Å; D310-Q312 PolarHBondContact O-NE2 2.8Å; Q312-S412 PolarHBondContact OE1-OG 2.9Å; Q312-L415 HydrophobicContact CG-CB 3.98Å; Q312-L415 HydrophobicContact CG-CD1 4Å; Q312-V416 HydrophobicContact CB-CG1 3.57Å; Q312-V416 HydrophobicContact CG-CG1 3.98Å
313	I	92.8	Very high	92.7	Very high	7 Å²	7	25.4 Å²	25.4	4%	0.036	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.4	168.7	-178.4	61.4	0	0	0	110.9	K265 V304 V305 L307 L315 R317 Y318	K265-I313 HydrophobicContact CD-CG2 3.94Å; K265-I313 HydrophobicContact CG-CG2 3.99Å; V304-I313 WeakPolarHBondContact CA-O 3.33Å; V305-I313 HydrophobicContact CG2-CG2 3.76Å; V305-I313 PolarHBondContact N-O 3.37Å; V305-I313 VanDerWaalsContact N-O 3.16Å; V305-I313 WeakPolarHBondContact O-CG2 3.45Å; V305-I313 PolarHBondContact O-N 2.97Å; L307-I313 HydrophobicContact CB-CB 4.03Å; L307-I313 HydrophobicContact CB-CG2 3.95Å; L307-I313 HydrophobicContact CD1-CG2 4.3Å; L307-I313 HydrophobicContact CD2-CB 4.28Å; I313-L315 PolarHBondContact O-N 2.96Å; I313-R317 HydrophobicContact CD1-CB 4.46Å; I313-Y318 HydrophobicContact CD1-CE2 4.07Å; I313-Y318 HydrophobicContact CG1-CD2 4.45Å; I313-Y318 HydrophobicContact CG1-CE2 3.65Å
314	E	92.2	Very high	92.9	Very high	68 Å²	68	26.9 Å²	26.9	32%	0.318	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	112	163.5	-172.4	-161.5	152.6	0	0	108.1	A316 R317 K320	E314-A316 HydrophobicContact CG-CB 4.38Å; E314-A316 PolarHBondContact O-N 3.44Å; E314-R317 HydrophobicContact CB-CB 4.45Å; E314-R317 WeakPolarHBondContact O-CB 3.15Å; E314-R317 PolarHBondContact O-N 3.42Å; E314-K320 IonicContact OE1-NZ 2.77Å; E314-K320 PolarHBondContact OE1-NZ 2.72Å
315	L	93.3	Very high	92.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.4	-31.6	-173.5	-67.9	166.6	0	0	0	112.3	L264 K265 F299 L302 Q303 V305 I313 R317 Y318	L264-L315 HydrophobicContact CB-CD1 3.76Å; L264-L315 HydrophobicContact CB-CD2 4.12Å; L264-L315 HydrophobicContact CD1-CD1 3.97Å; L264-L315 HydrophobicContact CG-CD1 4.4Å; K265-L315 HydrophobicContact CG-CD2 4.27Å; F299-L315 HydrophobicContact CD1-CB 3.95Å; F299-L315 HydrophobicContact CD1-CD1 3.96Å; F299-L315 HydrophobicContact CD1-CG 4.48Å; F299-L315 HydrophobicContact CD2-CB 3.85Å; F299-L315 HydrophobicContact CE1-CB 4.03Å; F299-L315 HydrophobicContact CE1-CD1 4.08Å; F299-L315 HydrophobicContact CE1-CD2 4.32Å; F299-L315 HydrophobicContact CE1-CG 4.38Å; F299-L315 HydrophobicContact CE2-CB 3.92Å; F299-L315 WeakPolarHBondContact CE2-O 3.41Å; F299-L315 HydrophobicContact CG-CB 3.86Å; F299-L315 HydrophobicContact CZ-CB 4Å; F299-L315 HydrophobicContact CZ-CD2 4.36Å; L302-L315 WeakPolarHBondContact O-CD1 3.41Å; Q303-L315 PolarHBondContact O-N 3.39Å; V305-L315 HydrophobicContact CG1-CD1 4.23Å; V305-L315 HydrophobicContact CG2-CD1 4.23Å; V305-L315 HydrophobicContact CG2-CD2 3.96Å; V305-L315 HydrophobicContact CG2-CG 4.16Å; I313-L315 PolarHBondContact O-N 2.96Å; L315-R317 PolarHBondContact O-N 2.92Å; L315-Y318 PolarHBondContact O-N 3.36Å
316	A	92.4	Very high	92.9	Very high	3 Å²	3	33.9 Å²	33.9	3%	0.025	17%	0.174	C	C	.	.	H	α-helix	trans	-66.3	-16.1	173.8	0	0	0	0	0	113.7	E314 I319 K320 T335	E314-A316 HydrophobicContact CG-CB 4.38Å; E314-A316 PolarHBondContact O-N 3.44Å; A316-I319 WeakPolarHBondContact O-CB 3.07Å; A316-I319 PolarHBondContact O-N 3.1Å; A316-K320 VanDerWaalsContact O-CG 3.28Å; A316-K320 WeakPolarHBondContact O-CG 3.34Å; A316-K320 PolarHBondContact O-N 3.43Å; A316-T335 HydrophobicContact CB-CG2 4.34Å
317	R	92.7	Very high	92.8	Very high	107 Å²	107	39.1 Å²	39.1	40%	0.404	20%	0.196	S	C	.	.	H	α-helix	trans	-59.6	-46.4	174.4	177.5	170.9	155.2	157.6	-14.3	111.4	E173 I313 E314 L315 I319 K320 T321	E173-R317 IonicContact OE1-CZ 3.28Å; E173-R317 IonicContact OE1-NE 3.49Å; E173-R317 IonicContact OE1-NH2 2.79Å; E173-R317 PolarHBondContact OE1-NH2 3.37Å; E173-R317 IonicContact OE2-NH2 3.93Å; E173-R317 PolarHBondContact OE2-NH2 2.98Å; I313-R317 HydrophobicContact CD1-CB 4.46Å; E314-R317 HydrophobicContact CB-CB 4.45Å; E314-R317 WeakPolarHBondContact O-CB 3.15Å; E314-R317 PolarHBondContact O-N 3.42Å; L315-R317 PolarHBondContact O-N 2.92Å; R317-I319 PolarHBondContact O-N 2.96Å; R317-K320 PolarHBondContact O-N 3.29Å; R317-K320 VanDerWaalsContact O-N 3.14Å; R317-T321 HydrophobicContact CG-CG2 4.39Å; R317-T321 PolarHBondContact O-N 3.2Å; R317-T321 PolarHBondContact O-OG1 2.7Å
318	Y	93.1	Very high	92.8	Very high	12 Å²	12	40.3 Å²	40.3	5%	0.047	20%	0.202	C	C	.	.	H	α-helix	trans	-57.6	-35	177.9	-66.4	-61.5	0	0	0	112.8	G268 F269 I313 L315 S322	G268-Y318 WeakPolarHBondContact O-CB 3.39Å; F269-Y318 HydrophobicContact CB-CD1 4.18Å; F269-Y318 HydrophobicContact CB-CE1 3.78Å; F269-Y318 HydrophobicContact CB-CE2 4.38Å; F269-Y318 AromaticContact CD2-CD1 3.9Å; F269-Y318 HydrophobicContact CD2-CD1 3.9Å; F269-Y318 AromaticContact CD2-CE1 3.54Å; F269-Y318 HydrophobicContact CD2-CE1 3.54Å; F269-Y318 HydrophobicContact CE2-CE1 4.44Å; F269-Y318 HydrophobicContact CG-CD1 4.48Å; F269-Y318 AromaticContact CG-CE1 3.95Å; F269-Y318 HydrophobicContact CG-CE1 3.95Å; I313-Y318 HydrophobicContact CD1-CE2 4.07Å; I313-Y318 HydrophobicContact CG1-CD2 4.45Å; I313-Y318 HydrophobicContact CG1-CE2 3.65Å; L315-Y318 PolarHBondContact O-N 3.36Å; Y318-S322 PolarHBondContact O-N 3.2Å
319	I	93.7	Very high	92.6	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-71.6	-51.8	175.5	-54	-51.4	0	0	0	110.1	L271 F299 A316 R317 T321 S322 Y325 W332 T335	L271-I319 HydrophobicContact CD1-CD1 3.84Å; F299-I319 HydrophobicContact CD2-CG1 4.18Å; F299-I319 HydrophobicContact CE2-CD1 4.23Å; F299-I319 HydrophobicContact CE2-CG1 4.15Å; A316-I319 WeakPolarHBondContact O-CB 3.07Å; A316-I319 PolarHBondContact O-N 3.1Å; R317-I319 PolarHBondContact O-N 2.96Å; I319-T321 PolarHBondContact O-N 3.25Å; I319-T321 VanDerWaalsContact O-N 3.16Å; I319-S322 WeakPolarHBondContact O-CB 3.26Å; I319-S322 PolarHBondContact O-N 2.92Å; I319-S322 PolarHBondContact O-OG 2.97Å; I319-Y325 HydrophobicContact CG2-CD2 3.93Å; I319-Y325 HydrophobicContact CG2-CE2 4.07Å; I319-Y325 WeakPolarHBondContact O-CB 3.29Å; I319-Y325 WeakPolarHBondContact O-CD2 3.33Å; I319-W332 HydrophobicContact CD1-CH2 3.65Å; I319-W332 HydrophobicContact CD1-CZ2 3.98Å; I319-W332 HydrophobicContact CD1-CZ3 4.04Å; I319-W332 HydrophobicContact CG1-CE3 4.43Å; I319-W332 HydrophobicContact CG1-CH2 4.26Å; I319-W332 HydrophobicContact CG1-CZ3 4.21Å; I319-W332 HydrophobicContact CG2-CD2 3.46Å; I319-W332 VanDerWaalsContact CG2-CD2 3.46Å; I319-W332 HydrophobicContact CG2-CE3 3.99Å; I319-W332 HydrophobicContact CG2-CG 3.73Å; I319-W332 HydrophobicContact CG2-CH2 4.28Å; I319-W332 HydrophobicContact CG2-CZ2 3.79Å; I319-W332 HydrophobicContact CG2-CZ3 4.38Å; I319-T335 HydrophobicContact CG2-CG2 4.21Å
320	K	92.8	Very high	92.6	Very high	73 Å²	73	48.9 Å²	48.9	32%	0.317	25%	0.252	S	S	.	.	H	α-helix	trans	-58.1	-27.4	179.9	-69.9	166.4	-178.6	175.1	0	113.3	E314 A316 R317 Y325 T335	E314-K320 IonicContact OE1-NZ 2.77Å; E314-K320 PolarHBondContact OE1-NZ 2.72Å; A316-K320 VanDerWaalsContact O-CG 3.28Å; A316-K320 WeakPolarHBondContact O-CG 3.34Å; A316-K320 PolarHBondContact O-N 3.43Å; R317-K320 PolarHBondContact O-N 3.29Å; R317-K320 VanDerWaalsContact O-N 3.14Å; K320-Y325 HydrophobicContact CB-CE1 4.31Å; K320-Y325 HydrophobicContact CG-CE1 4.23Å; K320-Y325 WeakPolarHBondContact O-CD1 3.47Å; K320-T335 HydrophobicContact CG-CG2 3.9Å
321	T	91.5	Very high	92.4	Very high	77 Å²	77	53 Å²	53	47%	0.472	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	4.4	178.6	62.6	0	0	0	0	114.5	Y272 R317 I319	Y272-T321 WeakPolarHBondContact CE2-O 3.24Å; R317-T321 HydrophobicContact CG-CG2 4.39Å; R317-T321 PolarHBondContact O-N 3.2Å; R317-T321 PolarHBondContact O-OG1 2.7Å; I319-T321 PolarHBondContact O-N 3.25Å; I319-T321 VanDerWaalsContact O-N 3.16Å
322	S	92.2	Very high	92.4	Very high	8 Å²	8	52.7 Å²	52.7	6%	0.056	27%	0.269	C	S	.	.	S	Bend	trans	-69.6	149.1	176.2	62.5	0	0	0	0	111.9	Y318 I319 H324 Y325	Y318-S322 PolarHBondContact O-N 3.2Å; I319-S322 WeakPolarHBondContact O-CB 3.26Å; I319-S322 PolarHBondContact O-N 2.92Å; I319-S322 PolarHBondContact O-OG 2.97Å; S322-H324 VanDerWaalsContact C-N 3.25Å; S322-H324 PolarHBondContact O-N 3.02Å; S322-H324 VanDerWaalsContact O-N 3.14Å; S322-Y325 WeakPolarHBondContact O-CB 3.39Å; S322-Y325 PolarHBondContact O-N 2.81Å
323	A	91.9	Very high	92.3	Very high	64 Å²	64	54.3 Å²	54.3	53%	0.529	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-32.1	-167.7	0	0	0	0	0	114.4	D275	D275-A323 VanDerWaalsContact O-CB 3.23Å; D275-A323 WeakPolarHBondContact O-CB 3.35Å; D275-A323 PolarHBondContact OD2-N 3.05Å; D275-A323 VanDerWaalsContact OD2-N 3.16Å
324	H	94.3	Very high	92	Very high	47 Å²	47	54.2 Å²	54.2	22%	0.218	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	26.6	-178.6	-44.5	92.8	0	0	0	113	D275 G276 N280 Y282 S322 E327 N328	D275-H324 IonicContact OD1-CE1 3.9Å; D275-H324 IonicContact OD1-CG 3.75Å; D275-H324 IonicContact OD1-ND1 3.54Å; D275-H324 PolarHBondContact OD1-ND1 2.99Å; D275-H324 IonicContact OD2-CG 3.34Å; D275-H324 PolarHBondContact OD2-N 3.45Å; D275-H324 IonicContact OD2-ND1 2.66Å; D275-H324 PolarHBondContact OD2-ND1 2.91Å; G276-H324 PolarHBondContact O-CE1 3.31Å; G276-H324 VanDerWaalsContact O-CE1 3.22Å; N280-H324 PolarHBondContact ND2-CD2 3.3Å; N280-H324 PolarHBondContact ND2-CE1 3.08Å; N280-H324 VanDerWaalsContact ND2-CE1 3.25Å; N280-H324 PolarHBondContact ND2-ND1 2.92Å; N280-H324 VanDerWaalsContact ND2-ND1 3.11Å; N280-H324 PolarHBondContact ND2-NE2 3.16Å; Y282-H324 HydrophobicContact CD2-CB 4.04Å; Y282-H324 HydrophobicContact CE2-CB 3.89Å; Y282-H324 VanDerWaalsContact CE2-O 3.27Å; Y282-H324 WeakPolarHBondContact CE2-O 3.22Å; S322-H324 VanDerWaalsContact C-N 3.25Å; S322-H324 PolarHBondContact O-N 3.02Å; S322-H324 VanDerWaalsContact O-N 3.14Å; H324-E327 VanDerWaalsContact C-OE2 3.22Å; H324-E327 VanDerWaalsContact CA-OE2 3.25Å; H324-E327 WeakPolarHBondContact CA-OE2 3.33Å; H324-N328 PolarHBondContact O-ND2 2.93Å
325	Y	93.2	Very high	91.8	Very high	23 Å²	23	52 Å²	52	9%	0.09	27%	0.271	C	S	.	.	H	α-helix	trans	-63.1	-44.2	178.6	173.8	-115.8	0	0	0	112.7	I319 K320 S322 E327 N328 K329 W332 T335	I319-Y325 HydrophobicContact CG2-CD2 3.93Å; I319-Y325 HydrophobicContact CG2-CE2 4.07Å; I319-Y325 WeakPolarHBondContact O-CB 3.29Å; I319-Y325 WeakPolarHBondContact O-CD2 3.33Å; K320-Y325 HydrophobicContact CB-CE1 4.31Å; K320-Y325 HydrophobicContact CG-CE1 4.23Å; K320-Y325 WeakPolarHBondContact O-CD1 3.47Å; S322-Y325 WeakPolarHBondContact O-CB 3.39Å; S322-Y325 PolarHBondContact O-N 2.81Å; Y325-E327 VanDerWaalsContact C-N 3.33Å; Y325-E327 PolarHBondContact O-N 3.34Å; Y325-N328 CarbonylContact O-C 3.57Å; Y325-N328 PolarHBondContact O-N 2.84Å; Y325-K329 HydrophobicContact CD1-CG 4.31Å; Y325-K329 HydrophobicContact CE1-CD 4.34Å; Y325-K329 VanDerWaalsContact CE1-CE 3.46Å; Y325-K329 HydrophobicContact CE1-CG 3.86Å; Y325-K329 HydrophobicContact CE2-CG 4.12Å; Y325-K329 PolarHBondContact O-N 3.5Å; Y325-W332 AromaticContact CD2-CD1 3.98Å; Y325-W332 AromaticContact CE2-CD1 3.86Å; Y325-W332 HydrophobicContact CE2-CG 4.44Å; Y325-T335 HydrophobicContact CE2-CG2 3.96Å; Y325-T335 WeakPolarHBondContact OH-CB 3.46Å; Y325-T335 PolarHBondContact OH-OG1 3.24Å
326	E	92.2	Very high	91.1	Very high	124 Å²	124	57.8 Å²	57.8	58%	0.579	30%	0.298	S	S	*	.	H	α-helix	trans	-59.4	-41	-171.2	-75.5	-66.1	131.2	0	0	112.6	N328 K329	E326-N328 VanDerWaalsContact C-N 3.28Å; E326-N328 PolarHBondContact O-N 3.47Å; E326-K329 VanDerWaalsContact CD-CE 3.44Å; E326-K329 WeakPolarHBondContact OE1-CE 3.2Å; E326-K329 IonicContact OE1-NZ 3.18Å; E326-K329 PolarHBondContact OE1-NZ 2.58Å; E326-K329 WeakPolarHBondContact OE2-CE 3.5Å; E326-K329 IonicContact OE2-NZ 3.97Å; E326-K329 PolarHBondContact OE2-NZ 3.01Å
327	E	92.6	Very high	89.7	Confident	137 Å²	137	63 Å²	63	64%	0.64	33%	0.334	S	S	*	.	H	α-helix	trans	-76.1	-15.3	177.1	-49.9	86.7	167.5	0	0	113.3	H324 Y325	H324-E327 VanDerWaalsContact C-OE2 3.22Å; H324-E327 VanDerWaalsContact CA-OE2 3.25Å; H324-E327 WeakPolarHBondContact CA-OE2 3.33Å; Y325-E327 VanDerWaalsContact C-N 3.33Å; Y325-E327 PolarHBondContact O-N 3.34Å
328	N	93.2	Very high	88.3	Confident	35 Å²	35	60.3 Å²	60.3	19%	0.187	33%	0.332	C	S	.	.	H	α-helix	trans	-119	12	-171.2	-67.7	-87.2	0	0	0	113.9	Y282 H324 Y325 E326 S330 K331	Y282-N328 HydrophobicContact CD1-CB 3.73Å; Y282-N328 HydrophobicContact CD2-CB 4.05Å; Y282-N328 WeakPolarHBondContact CD2-ND2 3.13Å; Y282-N328 HydrophobicContact CE1-CB 3.43Å; Y282-N328 VanDerWaalsContact CE1-CB 3.43Å; Y282-N328 HydrophobicContact CE2-CB 3.81Å; Y282-N328 HydrophobicContact CG-CB 4Å; Y282-N328 VanDerWaalsContact CG-CG 3.47Å; Y282-N328 VanDerWaalsContact CZ-CB 3.47Å; H324-N328 PolarHBondContact O-ND2 2.93Å; Y325-N328 CarbonylContact O-C 3.57Å; Y325-N328 PolarHBondContact O-N 2.84Å; E326-N328 VanDerWaalsContact C-N 3.28Å; E326-N328 PolarHBondContact O-N 3.47Å; N328-S330 PolarHBondContact O-N 3.23Å; N328-K331 WeakPolarHBondContact O-CB 3.31Å; N328-K331 PolarHBondContact O-N 2.92Å
329	K	90.3	Very high	87.1	Confident	89 Å²	89	66 Å²	66	39%	0.387	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-45.8	-38.4	-179.8	-80.5	176.9	165.6	166.3	0	114.6	Y325 E326 K331 W332	Y325-K329 HydrophobicContact CD1-CG 4.31Å; Y325-K329 HydrophobicContact CE1-CD 4.34Å; Y325-K329 VanDerWaalsContact CE1-CE 3.46Å; Y325-K329 HydrophobicContact CE1-CG 3.86Å; Y325-K329 HydrophobicContact CE2-CG 4.12Å; Y325-K329 PolarHBondContact O-N 3.5Å; E326-K329 VanDerWaalsContact CD-CE 3.44Å; E326-K329 WeakPolarHBondContact OE1-CE 3.2Å; E326-K329 IonicContact OE1-NZ 3.18Å; E326-K329 PolarHBondContact OE1-NZ 2.58Å; E326-K329 WeakPolarHBondContact OE2-CE 3.5Å; E326-K329 IonicContact OE2-NZ 3.97Å; E326-K329 PolarHBondContact OE2-NZ 3.01Å; K329-K331 PolarHBondContact O-N 3.11Å; K329-W332 PolarHBondContact O-N 3.4Å
330	S	90.5	Very high	85.8	Confident	120 Å²	120	66.7 Å²	66.7	84%	0.839	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-66.8	-13.5	-178.9	56.7	0	0	0	0	115	N328	N328-S330 PolarHBondContact O-N 3.23Å
331	K	89.8	Confident	84.5	Confident	86 Å²	86	66.9 Å²	66.9	37%	0.374	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-79.7	-15.7	174.9	-76.3	-170.9	163.8	-159.9	0	114.1	Y282 D285 N328 K329	Y282-K331 HydrophobicContact CD1-CD 3.66Å; Y282-K331 HydrophobicContact CE1-CD 4.15Å; D285-K331 IonicContact OD2-NZ 3.78Å; D285-K331 PolarHBondContact OD2-NZ 3.02Å; N328-K331 WeakPolarHBondContact O-CB 3.31Å; N328-K331 PolarHBondContact O-N 2.92Å; K329-K331 PolarHBondContact O-N 3.11Å
332	W	92.1	Very high	83.7	Confident	4 Å²	4	64.5 Å²	64.5	2%	0.015	36%	0.359	C	S	.	.			trans	-113	128.7	-169.1	-60.7	106	0	0	0	111.8	L271 I281 Y282 L292 D296 I319 Y325 K329 T335	L271-W332 HydrophobicContact CD1-CH2 4.08Å; I281-W332 HydrophobicContact CD1-CZ2 4.36Å; Y282-W332 HydrophobicContact CE1-CZ2 4.08Å; Y282-W332 AromaticContact CE1-NE1 3.44Å; Y282-W332 AromaticContact CZ-NE1 3.67Å; Y282-W332 PolarHBondContact OH-NE1 3.39Å; L292-W332 HydrophobicContact CB-CH2 4Å; L292-W332 HydrophobicContact CB-CZ2 4.38Å; L292-W332 HydrophobicContact CD1-CZ2 4.16Å; L292-W332 HydrophobicContact CD2-CH2 3.88Å; L292-W332 HydrophobicContact CD2-CZ2 4.19Å; L292-W332 HydrophobicContact CG-CH2 4.33Å; L292-W332 HydrophobicContact CG-CZ2 4.47Å; D296-W332 HydrophobicContact CB-CE3 3.79Å; D296-W332 HydrophobicContact CB-CZ3 3.96Å; D296-W332 WeakPolarHBondContact OD1-CA 3.27Å; I319-W332 HydrophobicContact CD1-CH2 3.65Å; I319-W332 HydrophobicContact CD1-CZ2 3.98Å; I319-W332 HydrophobicContact CD1-CZ3 4.04Å; I319-W332 HydrophobicContact CG1-CE3 4.43Å; I319-W332 HydrophobicContact CG1-CH2 4.26Å; I319-W332 HydrophobicContact CG1-CZ3 4.21Å; I319-W332 HydrophobicContact CG2-CD2 3.46Å; I319-W332 VanDerWaalsContact CG2-CD2 3.46Å; I319-W332 HydrophobicContact CG2-CE3 3.99Å; I319-W332 HydrophobicContact CG2-CG 3.73Å; I319-W332 HydrophobicContact CG2-CH2 4.28Å; I319-W332 HydrophobicContact CG2-CZ2 3.79Å; I319-W332 HydrophobicContact CG2-CZ3 4.38Å; Y325-W332 AromaticContact CD2-CD1 3.98Å; Y325-W332 AromaticContact CE2-CD1 3.86Å; Y325-W332 HydrophobicContact CE2-CG 4.44Å; K329-W332 PolarHBondContact O-N 3.4Å; W332-T335 HydrophobicContact CB-CG2 4.01Å
333	T	90.7	Very high	83.1	Confident	55 Å²	55	64.6 Å²	64.6	34%	0.337	36%	0.358	S	S	.	.	S	Bend	trans	-111.1	-15	174.5	77.7	0	0	0	0	112.7	D296 K300 T335	D296-T333 VanDerWaalsContact CG-N 3.3Å; D296-T333 PolarHBondContact OD1-N 3.25Å; D296-T333 WeakPolarHBondContact OD2-CB 3.16Å; D296-T333 PolarHBondContact OD2-N 2.78Å; D296-T333 VanDerWaalsContact OD2-N 3.15Å; D296-T333 PolarHBondContact OD2-OG1 3.49Å; K300-T333 VanDerWaalsContact CD-OG1 3.24Å; K300-T333 WeakPolarHBondContact CD-OG1 3.45Å; T333-T335 VanDerWaalsContact C-N 3.29Å
334	C	88.1	Confident	82.7	Confident	6 Å²	6	64.8 Å²	64.8	4%	0.041	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-18.1	173.1	72.5	0	0	0	0	113.7	D296 F299 K300 Q336	D296-C334 WeakPolarHBondContact OD1-CB 3.43Å; D296-C334 PolarHBondContact OD1-N 3.27Å; D296-C334 PolarHBondContact OD1-SG 2.64Å; F299-C334 HydrophobicContact CB-CB 3.68Å; K300-C334 HydrophobicContact CB-CB 3.99Å; C334-Q336 VanDerWaalsContact C-N 3.27Å; C334-Q336 PolarHBondContact O-N 3.42Å
335	T	86.6	Confident	82.2	Confident	21 Å²	21	62.6 Å²	62.6	13%	0.129	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-9	177.8	56.8	0	0	0	0	113.2	A316 I319 K320 Y325 W332 T333	A316-T335 HydrophobicContact CB-CG2 4.34Å; I319-T335 HydrophobicContact CG2-CG2 4.21Å; K320-T335 HydrophobicContact CG-CG2 3.9Å; Y325-T335 HydrophobicContact CE2-CG2 3.96Å; Y325-T335 WeakPolarHBondContact OH-CB 3.46Å; Y325-T335 PolarHBondContact OH-OG1 3.24Å; W332-T335 HydrophobicContact CB-CG2 4.01Å; T333-T335 VanDerWaalsContact C-N 3.29Å
336	Q	80.3	Confident	81.9	Confident	122 Å²	122	63.7 Å²	63.7	57%	0.57	35%	0.351	S	S	*	.	S	Bend	trans	-92.1	127.1	174.6	-60.3	179.7	3.5	0	0	110.2	C334 S338	C334-Q336 VanDerWaalsContact C-N 3.27Å; C334-Q336 PolarHBondContact O-N 3.42Å; Q336-S338 VanDerWaalsContact C-N 3.26Å; Q336-S338 PolarHBondContact O-N 3.46Å
337	S	63	Low	81.6	Confident	112 Å²	112	63.2 Å²	63.2	78%	0.783	35%	0.348	S	S	*	.			trans	-75.1	67.8	-176.7	-50.7	0	0	0	0	113.2
338	S	62.9	Low	81.4	Confident	50 Å²	50	59.7 Å²	59.7	35%	0.35	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-90.9	129.4	165.2	61	0	0	0	0	110.3	Q303 Q336 S340	Q303-S338 PolarHBondContact NE2-O 3.1Å; Q336-S338 VanDerWaalsContact C-N 3.26Å; Q336-S338 PolarHBondContact O-N 3.46Å; S338-S340 PolarHBondContact O-N 3.22Å
339	I	66.8	Low	81.3	Confident	132 Å²	132	58.2 Å²	58.2	68%	0.677	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-64.6	120.7	174.7	-57.2	173.5	0	0	0	108.7	W413	I339-W413 HydrophobicContact CG1-CZ2 4.37Å
340	S	66.7	Low	81.2	Confident	15 Å²	15	58.2 Å²	58.2	11%	0.105	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-77	139	175.2	-179.2	0	0	0	0	110.3	Q301 S338 Q342 Y343	Q301-S340 PolarHBondContact O-OG 3.45Å; S338-S340 PolarHBondContact O-N 3.22Å; S340-Q342 PolarHBondContact O-N 2.73Å; S340-Q342 WeakPolarHBondContact OG-CB 3.44Å; S340-Q342 PolarHBondContact OG-N 2.8Å; S340-Y343 PolarHBondContact O-N 2.79Å
341	P	66.3	Low	81.3	Confident	78 Å²	78	56.8 Å²	56.8	51%	0.506	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-56.5	-20.5	171.3	-24.6	34.3	0	0	0	113.6	Y343 N344	P341-Y343 PolarHBondContact O-N 3.15Å; P341-Y343 VanDerWaalsContact O-N 3.16Å; P341-N344 PolarHBondContact O-N 3.38Å; P341-N344 VanDerWaalsContact O-N 3.08Å
342	Q	73.6	Confident	81.4	Confident	27 Å²	27	53 Å²	53	13%	0.126	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-62.2	-15.3	172.7	-174.9	166.2	-21.8	0	0	113.6	Q301 S340 H406 E409	Q301-Q342 PolarHBondContact O-OE1 3.31Å; S340-Q342 PolarHBondContact O-N 2.73Å; S340-Q342 WeakPolarHBondContact OG-CB 3.44Å; S340-Q342 PolarHBondContact OG-N 2.8Å; Q342-H406 PolarHBondContact O-CE1 2.89Å; Q342-E409 PolarHBondContact NE2-OE2 3.31Å
343	Y	79.9	Confident	81.4	Confident	9 Å²	9	57.7 Å²	57.7	4%	0.035	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-97.3	-4.8	175.3	-58.9	-57.8	0	0	0	113.9	L302 Q303 V304 S340 P341 I345 W413	L302-Y343 HydrophobicContact CD1-CE1 4.48Å; Q303-Y343 HydrophobicContact CB-CE2 4.49Å; Q303-Y343 PolarHBondContact N-OH 3.31Å; V304-Y343 PolarHBondContact N-OH 3.47Å; S340-Y343 PolarHBondContact O-N 2.79Å; P341-Y343 PolarHBondContact O-N 3.15Å; P341-Y343 VanDerWaalsContact O-N 3.16Å; Y343-I345 PolarHBondContact O-N 2.87Å; Y343-W413 HydrophobicContact CD1-CB 3.61Å; Y343-W413 HydrophobicContact CD1-CD2 4.38Å; Y343-W413 AromaticContact CD1-CG 3.74Å; Y343-W413 HydrophobicContact CD1-CG 3.74Å; Y343-W413 AromaticContact CD2-CD1 3.63Å; Y343-W413 HydrophobicContact CD2-CD2 4.21Å; Y343-W413 AromaticContact CD2-CG 3.95Å; Y343-W413 HydrophobicContact CD2-CG 3.95Å; Y343-W413 AromaticContact CD2-NE1 3.68Å; Y343-W413 HydrophobicContact CE1-CB 3.44Å; Y343-W413 VanDerWaalsContact CE1-CB 3.44Å; Y343-W413 AromaticContact CE1-CD1 3.73Å; Y343-W413 AromaticContact CE1-CG 3.7Å; Y343-W413 HydrophobicContact CE1-CG 3.7Å; Y343-W413 AromaticContact CE2-CD1 3.24Å; Y343-W413 AromaticContact CE2-CG 3.91Å; Y343-W413 HydrophobicContact CE2-CG 3.91Å; Y343-W413 AromaticContact CE2-NE1 3.54Å; Y343-W413 HydrophobicContact CG-CB 4.24Å; Y343-W413 HydrophobicContact CG-CD2 4.11Å; Y343-W413 AromaticContact CG-CG 3.86Å; Y343-W413 HydrophobicContact CG-CG 3.86Å; Y343-W413 AromaticContact CZ-CD1 3.28Å; Y343-W413 AromaticContact CZ-CG 3.77Å
344	N	83	Confident	81.5	Confident	69 Å²	69	59.2 Å²	59.2	37%	0.369	32%	0.319	S	S	.	.			trans	-90	83.3	173.9	-175.1	6.4	0	0	0	110.3	P341 C346 E347 Q348	P341-N344 PolarHBondContact O-N 3.38Å; P341-N344 VanDerWaalsContact O-N 3.08Å; N344-C346 PolarHBondContact O-N 3.28Å; N344-E347 HydrophobicContact CB-CB 4.25Å; N344-E347 WeakPolarHBondContact ND2-CB 3.25Å; N344-E347 PolarHBondContact ND2-OE2 3.2Å; N344-E347 PolarHBondContact O-N 3.14Å; N344-Q348 PolarHBondContact O-N 3.04Å
345	I	85.3	Confident	81.7	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-55.6	-37	-178.7	-170.3	170.6	0	0	0	112.5	Y343 E347 Q348 M349 E446 A449 F450 V453	Y343-I345 PolarHBondContact O-N 2.87Å; I345-E347 VanDerWaalsContact C-N 3.3Å; I345-E347 PolarHBondContact O-N 3.22Å; I345-Q348 PolarHBondContact O-N 3.25Å; I345-M349 HydrophobicContact CG1-SD 4.2Å; I345-M349 WeakPolarHBondContact O-CG 3.34Å; I345-M349 PolarHBondContact O-N 2.9Å; I345-E446 HydrophobicContact CG2-CB 4.31Å; I345-E446 HydrophobicContact CG2-CG 4.07Å; I345-A449 HydrophobicContact CD1-CB 4.16Å; I345-A449 HydrophobicContact CG1-CB 4.07Å; I345-A449 HydrophobicContact CG2-CB 3.95Å; I345-F450 HydrophobicContact CD1-CD2 3.49Å; I345-F450 VanDerWaalsContact CD1-CD2 3.49Å; I345-F450 HydrophobicContact CD1-CE2 3.82Å; I345-F450 HydrophobicContact CD1-CG 4.18Å; I345-F450 HydrophobicContact CG2-CD2 4.41Å; I345-V453 HydrophobicContact CD1-CG2 4.23Å
346	C	86.2	Confident	81.9	Confident	47 Å²	47	60.5 Å²	60.5	32%	0.318	32%	0.323	S	S	.	.	H	α-helix	trans	-61.4	-35.6	-178.1	-58.1	0	0	0	0	112.9	N344	N344-C346 PolarHBondContact O-N 3.28Å
347	E	86	Confident	82.3	Confident	113 Å²	113	58.8 Å²	58.8	53%	0.528	32%	0.317	S	S	.	.	H	α-helix	trans	-73.6	-32.9	175.9	-176.2	179.1	168.8	0	0	111.9	N344 I345 M349	N344-E347 HydrophobicContact CB-CB 4.25Å; N344-E347 WeakPolarHBondContact ND2-CB 3.25Å; N344-E347 PolarHBondContact ND2-OE2 3.2Å; N344-E347 PolarHBondContact O-N 3.14Å; I345-E347 VanDerWaalsContact C-N 3.3Å; I345-E347 PolarHBondContact O-N 3.22Å; E347-M349 VanDerWaalsContact C-N 3.35Å
348	Q	87.8	Confident	83.6	Confident	63 Å²	63	61.3 Å²	61.3	29%	0.294	31%	0.309	S	S	.	.	H	α-helix	trans	-75.7	-21.5	177.3	-56.7	-60.4	-40.2	0	0	113.1	N344 I345 V350 Q351 I352	N344-Q348 PolarHBondContact O-N 3.04Å; I345-Q348 PolarHBondContact O-N 3.25Å; Q348-V350 PolarHBondContact O-N 3.41Å; Q348-Q351 PolarHBondContact O-N 2.8Å; Q348-I352 HydrophobicContact CB-CD1 4.16Å; Q348-I352 WeakPolarHBondContact O-CG1 3.26Å; Q348-I352 PolarHBondContact O-N 3.15Å; Q348-I352 VanDerWaalsContact O-N 3.09Å
349	M	90.7	Very high	85	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.02	30%	0.295	C	S	.	.	H	α-helix	trans	-54.8	-36.4	-177.8	-72.9	-49.5	-65.8	0	0	113.8	I345 E347 I352 R353 A449 E452 V453 M456	I345-M349 HydrophobicContact CG1-SD 4.2Å; I345-M349 WeakPolarHBondContact O-CG 3.34Å; I345-M349 PolarHBondContact O-N 2.9Å; E347-M349 VanDerWaalsContact C-N 3.35Å; M349-I352 PolarHBondContact O-N 3.4Å; M349-R353 WeakPolarHBondContact O-CB 3.18Å; M349-R353 WeakPolarHBondContact O-CD 3.49Å; M349-R353 VanDerWaalsContact O-CG 3.23Å; M349-R353 WeakPolarHBondContact O-CG 3.46Å; M349-R353 PolarHBondContact O-N 2.72Å; M349-A449 HydrophobicContact CG-CB 3.75Å; M349-A449 HydrophobicContact SD-CB 3.75Å; M349-E452 HydrophobicContact CE-CB 3.79Å; M349-E452 VanDerWaalsContact CE-CD 3.45Å; M349-E452 HydrophobicContact CE-CG 4.04Å; M349-E452 WeakPolarHBondContact CE-OE2 3.34Å; M349-V453 HydrophobicContact CE-CG2 3.91Å; M349-V453 HydrophobicContact SD-CG2 3.44Å; M349-V453 WeakPolarHBondContact SD-CG2 3.37Å; M349-M456 HydrophobicContact CE-CE 3.75Å
350	V	90.3	Very high	86	Confident	90 Å²	90	55 Å²	55	55%	0.545	27%	0.273	S	S	.	.	H	α-helix	trans	-59.4	-55.8	179.7	-176.8	0	0	0	0	110.2	Q348 I352 R353 D354	Q348-V350 PolarHBondContact O-N 3.41Å; V350-I352 VanDerWaalsContact C-N 3.29Å; V350-I352 PolarHBondContact O-N 2.77Å; V350-R353 PolarHBondContact O-N 2.76Å; V350-D354 VanDerWaalsContact O-CG 3.3Å; V350-D354 PolarHBondContact O-N 3.38Å
351	Q	91.2	Very high	86.9	Confident	90 Å²	90	56.8 Å²	56.8	42%	0.421	29%	0.285	S	S	.	.	H	α-helix	trans	-63.7	-34.2	179.4	-174.5	63.7	67.1	0	0	112.7	Q348 D355	Q348-Q351 PolarHBondContact O-N 2.8Å; Q351-D355 PolarHBondContact NE2-OD1 3.28Å; Q351-D355 VanDerWaalsContact O-CB 3.32Å; Q351-D355 WeakPolarHBondContact O-CB 3.48Å; Q351-D355 PolarHBondContact O-N 3.14Å
352	I	92.5	Very high	88	Confident	6 Å²	6	55.2 Å²	55.2	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-66.2	-46.7	177.8	-68.1	171.1	0	0	0	110.5	Q348 M349 V350 D355 H356 W403 V453 M456	Q348-I352 HydrophobicContact CB-CD1 4.16Å; Q348-I352 WeakPolarHBondContact O-CG1 3.26Å; Q348-I352 PolarHBondContact O-N 3.15Å; Q348-I352 VanDerWaalsContact O-N 3.09Å; M349-I352 PolarHBondContact O-N 3.4Å; V350-I352 VanDerWaalsContact C-N 3.29Å; V350-I352 PolarHBondContact O-N 2.77Å; I352-D355 PolarHBondContact O-N 3.5Å; I352-H356 VanDerWaalsContact O-CB 3.28Å; I352-H356 WeakPolarHBondContact O-CB 3.49Å; I352-H356 PolarHBondContact O-N 3.36Å; I352-W403 HydrophobicContact CG2-CD2 4.38Å; I352-W403 HydrophobicContact CG2-CG 4.34Å; I352-W403 HydrophobicContact CG2-CZ2 4.44Å; I352-V453 HydrophobicContact CD1-CG2 3.96Å; I352-V453 HydrophobicContact CG2-CG2 4.29Å; I352-M456 HydrophobicContact CG2-CE 3.4Å; I352-M456 VanDerWaalsContact CG2-CE 3.4Å; I352-M456 HydrophobicContact CG2-SD 3.96Å
353	R	92.4	Very high	88.7	Confident	103 Å²	103	54 Å²	54	39%	0.389	27%	0.265	S	S	.	.	H	α-helix	trans	-61.8	-45.4	176.8	-71.5	166	179.7	165.1	1.3	111.6	M349 V350 H356 I357 E452 M456	M349-R353 WeakPolarHBondContact O-CB 3.18Å; M349-R353 WeakPolarHBondContact O-CD 3.49Å; M349-R353 VanDerWaalsContact O-CG 3.23Å; M349-R353 WeakPolarHBondContact O-CG 3.46Å; M349-R353 PolarHBondContact O-N 2.72Å; V350-R353 PolarHBondContact O-N 2.76Å; R353-H356 WeakPolarHBondContact O-CB 3.15Å; R353-H356 PolarHBondContact O-N 2.9Å; R353-I357 WeakPolarHBondContact O-CG1 3.29Å; R353-I357 PolarHBondContact O-N 3.48Å; R353-E452 WeakPolarHBondContact CG-OE1 3.45Å; R353-E452 IonicContact CZ-OE1 3.48Å; R353-E452 IonicContact CZ-OE2 3.63Å; R353-E452 IonicContact NE-OE1 2.74Å; R353-E452 PolarHBondContact NE-OE1 3Å; R353-E452 IonicContact NE-OE2 3.85Å; R353-E452 PolarHBondContact NE-OE2 3.36Å; R353-E452 IonicContact NH2-OE1 3.31Å; R353-E452 IonicContact NH2-OE2 3.67Å; R353-E452 PolarHBondContact NH2-OE2 2.98Å; R353-M456 HydrophobicContact CG-CE 4.41Å; R353-M456 HydrophobicContact CG-SD 4.5Å
354	D	92.1	Very high	88.7	Confident	86 Å²	86	55.5 Å²	55.5	46%	0.46	28%	0.279	S	S	.	.	H	α-helix	trans	-64.1	-43.4	179	-67.2	-17.5	0	0	0	111.8	V350 H356 R358	V350-D354 VanDerWaalsContact O-CG 3.3Å; V350-D354 PolarHBondContact O-N 3.38Å; D354-H356 VanDerWaalsContact C-N 3.35Å; D354-R358 VanDerWaalsContact O-CB 3.28Å; D354-R358 WeakPolarHBondContact O-CB 3.45Å; D354-R358 PolarHBondContact O-N 3.22Å; D354-R358 VanDerWaalsContact O-N 3.07Å
355	D	91.9	Very high	88.8	Confident	13 Å²	13	61.4 Å²	61.4	7%	0.07	30%	0.296	C	S	.	.	H	α-helix	trans	-62.5	-41.7	174.1	-75.3	-23.2	0	0	0	111.7	Q351 I352 R358 F359 L399 K402 W403	Q351-D355 PolarHBondContact NE2-OD1 3.28Å; Q351-D355 VanDerWaalsContact O-CB 3.32Å; Q351-D355 WeakPolarHBondContact O-CB 3.48Å; Q351-D355 PolarHBondContact O-N 3.14Å; I352-D355 PolarHBondContact O-N 3.5Å; D355-R358 IonicContact OD1-CZ 3.42Å; D355-R358 IonicContact OD1-NH2 3.83Å; D355-R358 PolarHBondContact OD1-NH2 3.22Å; D355-F359 VanDerWaalsContact O-CB 3.26Å; D355-F359 WeakPolarHBondContact O-CB 3.31Å; D355-F359 PolarHBondContact O-N 3.26Å; D355-L399 HydrophobicContact CB-CD1 3.74Å; D355-L399 HydrophobicContact CB-CD2 4.4Å; D355-K402 IonicContact OD2-NZ 2.6Å; D355-K402 PolarHBondContact OD2-NZ 3.12Å; D355-W403 HydrophobicContact CB-CZ2 4.34Å
356	H	91.4	Very high	88.7	Confident	42 Å²	42	63.8 Å²	63.8	19%	0.194	31%	0.305	C	S	.	.	H	α-helix	trans	-63.8	-50	179.5	172.8	-97	0	0	0	112	I352 R353 D354 F359 I360 W403 M456	I352-H356 VanDerWaalsContact O-CB 3.28Å; I352-H356 WeakPolarHBondContact O-CB 3.49Å; I352-H356 PolarHBondContact O-N 3.36Å; R353-H356 WeakPolarHBondContact O-CB 3.15Å; R353-H356 PolarHBondContact O-N 2.9Å; D354-H356 VanDerWaalsContact C-N 3.35Å; H356-F359 PolarHBondContact O-N 2.99Å; H356-I360 WeakPolarHBondContact NE2-CD1 3.35Å; H356-I360 WeakPolarHBondContact O-CB 3.48Å; H356-I360 WeakPolarHBondContact O-CG1 3.28Å; H356-I360 PolarHBondContact O-N 3.16Å; H356-W403 HydrophobicContact CB-CH2 3.56Å; H356-W403 HydrophobicContact CB-CZ2 3.69Å; H356-W403 AromaticContact CD2-CH2 3.64Å; H356-M456 HydrophobicContact CB-CG 4.41Å; H356-M456 HydrophobicContact CB-SD 3.66Å; H356-M456 VanDerWaalsContact CD2-CG 3.45Å; H356-M456 WeakPolarHBondContact CD2-CG 3.36Å
357	I	88.7	Confident	88.2	Confident	86 Å²	86	63.3 Å²	63.3	44%	0.441	30%	0.303	S	S	.	.	H	α-helix	trans	-59.2	-54.1	178.2	-68.4	165.4	0	0	0	109.6	R353 F359 I360 S361	R353-I357 WeakPolarHBondContact O-CG1 3.29Å; R353-I357 PolarHBondContact O-N 3.48Å; I357-F359 PolarHBondContact O-N 3.47Å; I357-I360 PolarHBondContact O-N 2.9Å; I357-S361 WeakPolarHBondContact O-CB 3.3Å; I357-S361 PolarHBondContact O-N 3Å; I357-S361 PolarHBondContact O-OG 3.42Å; I357-S361 VanDerWaalsContact O-OG 3.1Å
358	R	90.4	Very high	87.5	Confident	164 Å²	164	62.8 Å²	62.8	62%	0.619	30%	0.304	S	S	*	.	H	α-helix	trans	-56.3	-48	-179.1	177.1	173.7	56.7	170.4	-5.2	112.2	D354 D355 E362	D354-R358 VanDerWaalsContact O-CB 3.28Å; D354-R358 WeakPolarHBondContact O-CB 3.45Å; D354-R358 PolarHBondContact O-N 3.22Å; D354-R358 VanDerWaalsContact O-N 3.07Å; D355-R358 IonicContact OD1-CZ 3.42Å; D355-R358 IonicContact OD1-NH2 3.83Å; D355-R358 PolarHBondContact OD1-NH2 3.22Å; R358-E362 PolarHBondContact O-N 3.46Å
359	F	91.9	Very high	86.7	Confident	12 Å²	12	62.7 Å²	62.7	5%	0.053	31%	0.31	C	S	.	.	H	α-helix	trans	-69.5	-42	-177.3	-171.4	-93.8	0	0	0	112.6	D355 H356 I357 E362 L363 L392 R395 L399 L460 M464	D355-F359 VanDerWaalsContact O-CB 3.26Å; D355-F359 WeakPolarHBondContact O-CB 3.31Å; D355-F359 PolarHBondContact O-N 3.26Å; H356-F359 PolarHBondContact O-N 2.99Å; I357-F359 PolarHBondContact O-N 3.47Å; F359-E362 PolarHBondContact O-N 3.4Å; F359-L363 HydrophobicContact CE1-CB 4.35Å; F359-L363 HydrophobicContact CE1-CD2 4.1Å; F359-L363 WeakPolarHBondContact O-CB 3.37Å; F359-L363 PolarHBondContact O-N 3.42Å; F359-L392 HydrophobicContact CD2-CD1 4.37Å; F359-L392 HydrophobicContact CE2-CD1 3.59Å; F359-L392 HydrophobicContact CE2-CG 4.31Å; F359-L392 HydrophobicContact CZ-CD1 3.79Å; F359-L392 HydrophobicContact CZ-CG 4.1Å; F359-L392 WeakPolarHBondContact CZ-O 3.08Å; F359-R395 HydrophobicContact CD2-CB 4.41Å; F359-R395 HydrophobicContact CE2-CB 3.77Å; F359-L399 HydrophobicContact CB-CD2 3.64Å; F359-L399 HydrophobicContact CD1-CD2 4.28Å; F359-L399 HydrophobicContact CD2-CD2 4.38Å; F359-L399 HydrophobicContact CG-CD2 3.82Å; F359-L460 HydrophobicContact CD1-CD1 3.78Å; F359-L460 HydrophobicContact CD1-CD2 3.95Å; F359-L460 HydrophobicContact CE1-CD1 3.81Å; F359-L460 HydrophobicContact CE1-CD2 4.28Å; F359-M464 HydrophobicContact CE1-SD 4.08Å; F359-M464 HydrophobicContact CZ-SD 4.3Å
360	I	88.8	Confident	85.6	Confident	39 Å²	39	64.5 Å²	64.5	20%	0.2	32%	0.318	C	S	.	.	H	α-helix	trans	-70	-39.1	179.3	-71	-176.9	0	0	0	111.5	H356 I357 E362 L363 A364 L460 L463	H356-I360 WeakPolarHBondContact NE2-CD1 3.35Å; H356-I360 WeakPolarHBondContact O-CB 3.48Å; H356-I360 WeakPolarHBondContact O-CG1 3.28Å; H356-I360 PolarHBondContact O-N 3.16Å; I357-I360 PolarHBondContact O-N 2.9Å; I360-E362 VanDerWaalsContact C-N 3.27Å; I360-E362 PolarHBondContact O-N 3.21Å; I360-L363 PolarHBondContact O-N 3.19Å; I360-A364 WeakPolarHBondContact O-CB 3.19Å; I360-A364 PolarHBondContact O-N 2.77Å; I360-L460 HydrophobicContact CD1-CD1 4.44Å; I360-L460 HydrophobicContact CG1-CD1 4.02Å; I360-L463 HydrophobicContact CD1-CD1 3.88Å; I360-L463 HydrophobicContact CG1-CD1 4.08Å; I360-L463 HydrophobicContact CG2-CD1 4.02Å
361	S	85	Confident	84.1	Confident	51 Å²	51	65.5 Å²	65.5	36%	0.357	32%	0.324	S	S	.	.	H	α-helix	trans	-59.8	-38.8	174	-67.8	0	0	0	0	112	I357 R365	I357-S361 WeakPolarHBondContact O-CB 3.3Å; I357-S361 PolarHBondContact O-N 3Å; I357-S361 PolarHBondContact O-OG 3.42Å; I357-S361 VanDerWaalsContact O-OG 3.1Å; S361-R365 WeakPolarHBondContact O-CG 3.42Å; S361-R365 PolarHBondContact O-N 3.49Å
362	E	89.3	Confident	82.4	Confident	45 Å²	45	66.5 Å²	66.5	21%	0.21	34%	0.336	C	S	.	.	H	α-helix	trans	-68	-51.5	173.8	-170	-177.3	167.2	0	0	111.7	R358 F359 I360 A364 R365 Y366 L392 R395	R358-E362 PolarHBondContact O-N 3.46Å; F359-E362 PolarHBondContact O-N 3.4Å; I360-E362 VanDerWaalsContact C-N 3.27Å; I360-E362 PolarHBondContact O-N 3.21Å; E362-A364 VanDerWaalsContact C-N 3.29Å; E362-A364 PolarHBondContact O-N 3.15Å; E362-R365 WeakPolarHBondContact O-CB 3.39Å; E362-R365 PolarHBondContact O-N 3.41Å; E362-R365 VanDerWaalsContact O-N 3.09Å; E362-Y366 HydrophobicContact CG-CD2 4.43Å; E362-Y366 HydrophobicContact CG-CE2 3.92Å; E362-Y366 VanDerWaalsContact O-CD2 3.31Å; E362-Y366 WeakPolarHBondContact O-CD2 3.47Å; E362-Y366 PolarHBondContact O-N 3.44Å; E362-L392 HydrophobicContact CG-CD1 4.09Å; E362-R395 VanDerWaalsContact CD-NH1 3.33Å; E362-R395 IonicContact OE1-CZ 3.7Å; E362-R395 IonicContact OE1-NH1 3.85Å; E362-R395 PolarHBondContact OE1-NH1 3.35Å; E362-R395 IonicContact OE1-NH2 2.75Å; E362-R395 PolarHBondContact OE1-NH2 3.07Å; E362-R395 IonicContact OE2-CZ 3.34Å; E362-R395 IonicContact OE2-NH1 2.7Å; E362-R395 PolarHBondContact OE2-NH1 3.32Å; E362-R395 IonicContact OE2-NH2 3.5Å
363	L	87.6	Confident	80.8	Confident	3 Å²	3	70.3 Å²	70.3	2%	0.016	36%	0.36	C	S	.	.	H	α-helix	trans	-57.9	-39.4	179.2	-179.2	62.7	0	0	0	112.8	F359 I360 R365 Y366 S367 L392 L460 L463 M464 M467 F471	F359-L363 HydrophobicContact CE1-CB 4.35Å; F359-L363 HydrophobicContact CE1-CD2 4.1Å; F359-L363 WeakPolarHBondContact O-CB 3.37Å; F359-L363 PolarHBondContact O-N 3.42Å; I360-L363 PolarHBondContact O-N 3.19Å; L363-R365 VanDerWaalsContact C-N 3.32Å; L363-R365 PolarHBondContact O-N 2.91Å; L363-Y366 PolarHBondContact O-N 2.99Å; L363-S367 PolarHBondContact O-N 2.81Å; L363-L392 HydrophobicContact CD1-CD2 3.72Å; L363-L392 HydrophobicContact CD1-CG 4.33Å; L363-L460 HydrophobicContact CD2-CD1 3.92Å; L363-L463 HydrophobicContact CD2-CB 3.84Å; L363-M464 HydrophobicContact CD2-SD 4.22Å; L363-M467 HydrophobicContact CD1-CG 4.15Å; L363-F471 HydrophobicContact CD1-CZ 3.73Å
364	A	81	Confident	78.8	Confident	40 Å²	40	68.7 Å²	68.7	33%	0.331	38%	0.376	S	S	.	.	H	α-helix	trans	-64.5	-34.1	178	0	0	0	0	0	112.5	I360 E362 S367 N368	I360-A364 WeakPolarHBondContact O-CB 3.19Å; I360-A364 PolarHBondContact O-N 2.77Å; E362-A364 VanDerWaalsContact C-N 3.29Å; E362-A364 PolarHBondContact O-N 3.15Å; A364-S367 PolarHBondContact O-N 3.05Å; A364-N368 VanDerWaalsContact O-CB 3.29Å; A364-N368 WeakPolarHBondContact O-CB 3.25Å; A364-N368 PolarHBondContact O-N 3.35Å; A364-N368 PolarHBondContact O-ND2 2.75Å
365	R	84.4	Confident	76.6	Confident	193 Å²	193	70 Å²	70	73%	0.728	39%	0.391	S	S	*	.	H	α-helix	trans	-63.1	-46.7	175.4	-72.2	172.7	62.1	-157.3	-4.7	111.4	S361 E362 L363 S369	S361-R365 WeakPolarHBondContact O-CG 3.42Å; S361-R365 PolarHBondContact O-N 3.49Å; E362-R365 WeakPolarHBondContact O-CB 3.39Å; E362-R365 PolarHBondContact O-N 3.41Å; E362-R365 VanDerWaalsContact O-N 3.09Å; L363-R365 VanDerWaalsContact C-N 3.32Å; L363-R365 PolarHBondContact O-N 2.91Å; R365-S369 WeakPolarHBondContact O-CB 3.4Å; R365-S369 PolarHBondContact O-N 3.46Å
366	Y	82.5	Confident	74	Confident	49 Å²	49	71.9 Å²	71.9	19%	0.192	41%	0.414	C	S	.	.	H	α-helix	trans	-63.5	-49.3	175.6	-68.3	-80	0	0	0	111	E362 L363 N368 S369 E370 E388 L389 L392	E362-Y366 HydrophobicContact CG-CD2 4.43Å; E362-Y366 HydrophobicContact CG-CE2 3.92Å; E362-Y366 VanDerWaalsContact O-CD2 3.31Å; E362-Y366 WeakPolarHBondContact O-CD2 3.47Å; E362-Y366 PolarHBondContact O-N 3.44Å; L363-Y366 PolarHBondContact O-N 2.99Å; Y366-N368 VanDerWaalsContact C-N 3.34Å; Y366-N368 PolarHBondContact O-N 2.96Å; Y366-S369 WeakPolarHBondContact O-CB 3.33Å; Y366-S369 PolarHBondContact O-N 2.8Å; Y366-S369 VanDerWaalsContact O-N 3.09Å; Y366-E370 WeakPolarHBondContact O-CG 3.38Å; Y366-E370 PolarHBondContact O-N 3.15Å; Y366-E388 HydrophobicContact CE1-CB 4.38Å; Y366-E388 PolarHBondContact OH-OE2 3.12Å; Y366-E388 VanDerWaalsContact OH-OE2 3.11Å; Y366-L389 HydrophobicContact CD1-CD2 3.85Å; Y366-L389 HydrophobicContact CD1-CG 4.45Å; Y366-L389 HydrophobicContact CG-CD2 4.05Å; Y366-L392 HydrophobicContact CD2-CD2 3.52Å; Y366-L392 HydrophobicContact CE2-CD2 4Å; Y366-L392 HydrophobicContact CG-CD2 4.09Å
367	S	75.6	Confident	71.7	Confident	37 Å²	37	77.6 Å²	77.6	26%	0.259	45%	0.445	S	S	.	.	H	α-helix	trans	-55.5	-45.3	178.1	-172.8	0	0	0	0	112.9	L363 A364 E370 V371	L363-S367 PolarHBondContact O-N 2.81Å; A364-S367 PolarHBondContact O-N 3.05Å; S367-E370 PolarHBondContact O-N 3.3Å; S367-V371 WeakPolarHBondContact O-CG2 3.01Å; S367-V371 PolarHBondContact O-N 2.91Å
368	N	72	Confident	69.7	Low	103 Å²	103	81.7 Å²	81.7	55%	0.551	47%	0.468	S	S	*	.	H	α-helix	trans	-65.7	-39.1	177.3	-71.3	-18.9	0	0	0	112	A364 Y366 V371 V372	A364-N368 VanDerWaalsContact O-CB 3.29Å; A364-N368 WeakPolarHBondContact O-CB 3.25Å; A364-N368 PolarHBondContact O-N 3.35Å; A364-N368 PolarHBondContact O-ND2 2.75Å; Y366-N368 VanDerWaalsContact C-N 3.34Å; Y366-N368 PolarHBondContact O-N 2.96Å; N368-V371 PolarHBondContact O-N 2.94Å; N368-V372 WeakPolarHBondContact O-CB 3.28Å; N368-V372 VanDerWaalsContact O-CG2 3.28Å; N368-V372 WeakPolarHBondContact O-CG2 3.43Å; N368-V372 PolarHBondContact O-N 3.35Å
369	S	70.5	Confident	68	Low	60 Å²	60	78.6 Å²	78.6	42%	0.42	47%	0.471	S	S	.	.	H	α-helix	trans	-60.2	-45.4	174.4	-172.3	0	0	0	0	111.8	R365 Y366 V372 T373	R365-S369 WeakPolarHBondContact O-CB 3.4Å; R365-S369 PolarHBondContact O-N 3.46Å; Y366-S369 WeakPolarHBondContact O-CB 3.33Å; Y366-S369 PolarHBondContact O-N 2.8Å; Y366-S369 VanDerWaalsContact O-N 3.09Å; S369-V372 PolarHBondContact O-N 3.36Å; S369-T373 WeakPolarHBondContact O-CB 3.46Å; S369-T373 WeakPolarHBondContact O-CG2 3.32Å; S369-T373 PolarHBondContact O-N 2.98Å; S369-T373 PolarHBondContact O-OG1 3.06Å
370	E	67.7	Low	66.9	Low	42 Å²	42	86.5 Å²	86.5	20%	0.196	51%	0.508	C	S	.	.	H	α-helix	trans	-63.6	-42.1	177.3	-61.5	-58	107.2	0	0	112.5	Y366 S367 G374 K381 M467 V470	Y366-E370 WeakPolarHBondContact O-CG 3.38Å; Y366-E370 PolarHBondContact O-N 3.15Å; S367-E370 PolarHBondContact O-N 3.3Å; E370-G374 VanDerWaalsContact O-CA 3.32Å; E370-G374 WeakPolarHBondContact O-CA 3.4Å; E370-G374 PolarHBondContact O-N 3.48Å; E370-K381 IonicContact OE1-NZ 2.83Å; E370-K381 PolarHBondContact OE1-NZ 3.03Å; E370-K381 IonicContact OE2-NZ 2.91Å; E370-K381 PolarHBondContact OE2-NZ 3.01Å; E370-M467 HydrophobicContact CG-CE 4.35Å; E370-V470 HydrophobicContact CG-CG1 4.12Å; E370-V470 HydrophobicContact CG-CG2 4.16Å
371	V	58.9	Low	66.3	Low	111 Å²	111	86.9 Å²	86.9	67%	0.673	51%	0.509	S	S	*	.	H	α-helix	trans	-68.2	-35.9	-179.9	171.5	0	0	0	0	111.6	S367 N368	S367-V371 WeakPolarHBondContact O-CG2 3.01Å; S367-V371 PolarHBondContact O-N 2.91Å; N368-V371 PolarHBondContact O-N 2.94Å
372	V	56.3	Low	66.4	Low	112 Å²	112	86.8 Å²	86.8	68%	0.679	51%	0.508	S	S	*	.	H	α-helix	trans	-77.1	-42.6	179	172.4	0	0	0	0	111.8	N368 S369	N368-V372 WeakPolarHBondContact O-CB 3.28Å; N368-V372 VanDerWaalsContact O-CG2 3.28Å; N368-V372 WeakPolarHBondContact O-CG2 3.43Å; N368-V372 PolarHBondContact O-N 3.35Å; S369-V372 PolarHBondContact O-N 3.36Å
373	T	58.4	Low	66.2	Low	86 Å²	86	87.8 Å²	87.8	53%	0.528	51%	0.514	S	S	.	.	H	α-helix	trans	-85.9	-25.3	-176.5	61.5	0	0	0	0	113.9	S369 S375 G376	S369-T373 WeakPolarHBondContact O-CB 3.46Å; S369-T373 WeakPolarHBondContact O-CG2 3.32Å; S369-T373 PolarHBondContact O-N 2.98Å; S369-T373 PolarHBondContact O-OG1 3.06Å; T373-S375 PolarHBondContact O-N 3.32Å; T373-G376 PolarHBondContact O-N 2.76Å
374	G	51.1	Low	66.3	Low	69 Å²	69	95 Å²	95	71%	0.711	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	9.2	-174.6	0	0	0	0	0	116.8	E370	E370-G374 VanDerWaalsContact O-CA 3.32Å; E370-G374 WeakPolarHBondContact O-CA 3.4Å; E370-G374 PolarHBondContact O-N 3.48Å
375	S	45.7	Very low	66.6	Low	113 Å²	113	97.3 Å²	97.3	79%	0.79	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	-7	177.2	59.3	0	0	0	0	114.6	T373	T373-S375 PolarHBondContact O-N 3.32Å
376	G	38.1	Very low	66.9	Low	53 Å²	53	89.3 Å²	89.3	55%	0.546	52%	0.522	S	S	.	.	S	Bend	trans	166.3	110.1	166.2	0	0	0	0	0	116.2	T373	T373-G376 PolarHBondContact O-N 2.76Å
377	L	41.2	Very low	67.3	Low	161 Å²	161	90.3 Å²	90.3	84%	0.843	53%	0.526	S	S	*	.			trans	175.6	136.1	138.4	-94.7	156.2	0	0	0	108.9	S379	L377-S379 PolarHBondContact O-N 2.82Å
378	D	46.9	Very low	68.1	Low	173 Å²	173	93 Å²	93	93%	0.925	53%	0.534	S	S	*	.			trans	-73.3	30.8	-174.7	-70.4	-62.1	0	0	0	114.9	Q380	D378-Q380 PolarHBondContact O-N 3.43Å
379	S	56.3	Low	69	Low	99 Å²	99	88.2 Å²	88.2	69%	0.692	51%	0.509	S	S	*	.			trans	-77.1	108.6	174.9	52.3	0	0	0	0	110.7	L377 K381	L377-S379 PolarHBondContact O-N 2.82Å; S379-K381 PolarHBondContact O-N 3.15Å
380	Q	67.6	Low	70	Confident	178 Å²	178	85.6 Å²	85.6	83%	0.832	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-58.3	135.3	162.3	-69.3	-175.3	-21	0	0	109.2	D378	D378-Q380 PolarHBondContact O-N 3.43Å
381	K	76.9	Confident	71.2	Confident	47 Å²	47	86 Å²	86	20%	0.204	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-67.5	154	174.4	-54	-171.1	-169.1	179.6	0	110.4	E370 S379 E385 Y386	E370-K381 IonicContact OE1-NZ 2.83Å; E370-K381 PolarHBondContact OE1-NZ 3.03Å; E370-K381 IonicContact OE2-NZ 2.91Å; E370-K381 PolarHBondContact OE2-NZ 3.01Å; S379-K381 PolarHBondContact O-N 3.15Å; K381-E385 HydrophobicContact CB-CB 4.04Å; K381-E385 HydrophobicContact CD-CB 4.33Å; K381-Y386 HydrophobicContact CB-CD1 4.3Å; K381-Y386 HydrophobicContact CB-CD2 4.22Å; K381-Y386 HydrophobicContact CB-CE1 3.97Å; K381-Y386 HydrophobicContact CB-CE2 3.88Å; K381-Y386 HydrophobicContact CB-CG 4.43Å; K381-Y386 HydrophobicContact CD-CD1 4.33Å; K381-Y386 HydrophobicContact CD-CE1 3.98Å; K381-Y386 HydrophobicContact CG-CE1 4.17Å; K381-Y386 WeakPolarHBondContact O-CE2 3.18Å
382	S	85.7	Confident	72.9	Confident	48 Å²	48	80.8 Å²	80.8	34%	0.336	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-64	160.6	170.7	63.4	0	0	0	0	112	E384 E385 Y386	S382-E384 PolarHBondContact O-N 3.49Å; S382-E385 WeakPolarHBondContact CB-OE2 3.49Å; S382-E385 PolarHBondContact N-OE2 2.92Å; S382-E385 PolarHBondContact O-N 3.28Å; S382-E385 VanDerWaalsContact OG-CG 3.3Å; S382-E385 WeakPolarHBondContact OG-CG 3.49Å; S382-E385 PolarHBondContact OG-N 3.18Å; S382-E385 VanDerWaalsContact OG-N 3.17Å; S382-E385 PolarHBondContact OG-OE2 3.35Å; S382-Y386 WeakPolarHBondContact O-CD2 3.37Å; S382-Y386 PolarHBondContact O-N 3.09Å; S382-Y386 VanDerWaalsContact O-N 3.12Å
383	D	86.9	Confident	74.6	Confident	66 Å²	66	75.4 Å²	75.4	35%	0.353	43%	0.429	S	S	.	.	H	α-helix	trans	-60.4	-30.6	171.5	-68	-32.8	0	0	0	111.8	R387 R548	D383-R387 VanDerWaalsContact O-CB 3.27Å; D383-R387 WeakPolarHBondContact O-CB 3.48Å; D383-R387 PolarHBondContact O-N 3.06Å; D383-R548 WeakPolarHBondContact OD1-CD 3.38Å; D383-R548 IonicContact OD1-CZ 3.39Å; D383-R548 IonicContact OD1-NE 2.73Å; D383-R548 PolarHBondContact OD1-NE 3.11Å; D383-R548 IonicContact OD2-CZ 3.8Å; D383-R548 IonicContact OD2-NE 2.93Å; D383-R548 PolarHBondContact OD2-NE 3.41Å; D383-R548 IonicContact OD2-NH2 3.8Å; D383-R548 PolarHBondContact OD2-NH2 3.32Å
384	E	89.5	Confident	76.3	Confident	155 Å²	155	72.3 Å²	72.3	72%	0.724	41%	0.409	S	S	*	.	H	α-helix	trans	-67.5	-50.8	178.5	-65.5	178.6	177.2	0	0	111.1	S382 Y386 R387 E388	S382-E384 PolarHBondContact O-N 3.49Å; E384-Y386 VanDerWaalsContact C-N 3.32Å; E384-Y386 PolarHBondContact O-N 3.39Å; E384-R387 CarbonylContact O-C 3.48Å; E384-R387 WeakPolarHBondContact O-CA 3.02Å; E384-R387 WeakPolarHBondContact O-CB 3.42Å; E384-R387 PolarHBondContact O-N 3.23Å; E384-E388 PolarHBondContact O-N 3.47Å
385	E	87.5	Confident	78.3	Confident	89 Å²	89	73.3 Å²	73.3	42%	0.416	39%	0.391	S	S	.	.	H	α-helix	trans	-61.8	-37.5	175.6	-70.2	163	107.7	0	0	112.5	K381 S382 R387 L389	K381-E385 HydrophobicContact CB-CB 4.04Å; K381-E385 HydrophobicContact CD-CB 4.33Å; S382-E385 WeakPolarHBondContact CB-OE2 3.49Å; S382-E385 PolarHBondContact N-OE2 2.92Å; S382-E385 PolarHBondContact O-N 3.28Å; S382-E385 VanDerWaalsContact OG-CG 3.3Å; S382-E385 WeakPolarHBondContact OG-CG 3.49Å; S382-E385 PolarHBondContact OG-N 3.18Å; S382-E385 VanDerWaalsContact OG-N 3.17Å; S382-E385 PolarHBondContact OG-OE2 3.35Å; E385-R387 VanDerWaalsContact C-N 3.33Å; E385-L389 WeakPolarHBondContact O-CG 3.49Å; E385-L389 PolarHBondContact O-N 2.93Å
386	Y	89.6	Confident	80.6	Confident	24 Å²	24	68 Å²	68	9%	0.094	35%	0.354	C	S	.	.	H	α-helix	trans	-67.4	-35.4	172.6	-75	-45.5	0	0	0	112	K381 S382 E384 F390 Q473 A474 N477 T478	K381-Y386 HydrophobicContact CB-CD1 4.3Å; K381-Y386 HydrophobicContact CB-CD2 4.22Å; K381-Y386 HydrophobicContact CB-CE1 3.97Å; K381-Y386 HydrophobicContact CB-CE2 3.88Å; K381-Y386 HydrophobicContact CB-CG 4.43Å; K381-Y386 HydrophobicContact CD-CD1 4.33Å; K381-Y386 HydrophobicContact CD-CE1 3.98Å; K381-Y386 HydrophobicContact CG-CE1 4.17Å; K381-Y386 WeakPolarHBondContact O-CE2 3.18Å; S382-Y386 WeakPolarHBondContact O-CD2 3.37Å; S382-Y386 PolarHBondContact O-N 3.09Å; S382-Y386 VanDerWaalsContact O-N 3.12Å; E384-Y386 VanDerWaalsContact C-N 3.32Å; E384-Y386 PolarHBondContact O-N 3.39Å; Y386-F390 WeakPolarHBondContact O-CB 3.23Å; Y386-F390 PolarHBondContact O-N 3.21Å; Y386-Q473 HydrophobicContact CE1-CG 4.22Å; Y386-A474 HydrophobicContact CD1-CB 3.84Å; Y386-N477 HydrophobicContact CD2-CB 3.81Å; Y386-N477 HydrophobicContact CE2-CB 4.15Å; Y386-N477 HydrophobicContact CG-CB 4.03Å; Y386-T478 VanDerWaalsContact C-OG1 3.29Å; Y386-T478 PolarHBondContact O-OG1 2.97Å; Y386-T478 VanDerWaalsContact O-OG1 3.06Å
387	R	91.5	Very high	83.4	Confident	70 Å²	70	65.4 Å²	65.4	26%	0.264	33%	0.328	S	S	.	.	H	α-helix	trans	-69.2	-42.2	176.7	-177.9	57.7	-174.7	-135.1	-1.2	112	D383 E384 E385 L389 F390 D391 T478	D383-R387 VanDerWaalsContact O-CB 3.27Å; D383-R387 WeakPolarHBondContact O-CB 3.48Å; D383-R387 PolarHBondContact O-N 3.06Å; E384-R387 CarbonylContact O-C 3.48Å; E384-R387 WeakPolarHBondContact O-CA 3.02Å; E384-R387 WeakPolarHBondContact O-CB 3.42Å; E384-R387 PolarHBondContact O-N 3.23Å; E385-R387 VanDerWaalsContact C-N 3.33Å; R387-L389 VanDerWaalsContact C-N 3.31Å; R387-L389 PolarHBondContact O-N 3.4Å; R387-F390 WeakPolarHBondContact O-CB 3.31Å; R387-F390 PolarHBondContact O-N 2.86Å; R387-F390 VanDerWaalsContact O-N 3.14Å; R387-D391 WeakPolarHBondContact CD-OD2 3.42Å; R387-D391 WeakPolarHBondContact CG-OD2 3.37Å; R387-D391 IonicContact CZ-OD1 3.71Å; R387-D391 IonicContact CZ-OD2 2.8Å; R387-D391 IonicContact NE-OD1 3.96Å; R387-D391 PolarHBondContact NE-OD1 3.38Å; R387-D391 IonicContact NE-OD2 2.65Å; R387-D391 PolarHBondContact NE-OD2 3.18Å; R387-D391 IonicContact NH2-OD1 3.06Å; R387-D391 PolarHBondContact NH2-OD1 2.87Å; R387-D391 IonicContact NH2-OD2 3.5Å; R387-D391 PolarHBondContact O-N 2.58Å; R387-T478 VanDerWaalsContact CD-CG2 3.47Å
388	E	91.8	Very high	85.9	Confident	93 Å²	93	61.6 Å²	61.6	44%	0.435	31%	0.305	S	S	.	.	H	α-helix	trans	-56.1	-46	174.3	-73.9	-176.5	162	0	0	111.5	Y366 E384 D391 L392	Y366-E388 HydrophobicContact CE1-CB 4.38Å; Y366-E388 PolarHBondContact OH-OE2 3.12Å; Y366-E388 VanDerWaalsContact OH-OE2 3.11Å; E384-E388 PolarHBondContact O-N 3.47Å; E388-D391 PolarHBondContact O-N 3.3Å; E388-L392 VanDerWaalsContact O-CB 3.24Å; E388-L392 WeakPolarHBondContact O-CB 3.36Å; E388-L392 PolarHBondContact O-N 3.09Å
389	L	90.1	Very high	88.2	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-67	-34.4	176.8	-72.4	169.3	0	0	0	113	Y366 E385 R387 L392 A393 V470 A474	Y366-L389 HydrophobicContact CD1-CD2 3.85Å; Y366-L389 HydrophobicContact CD1-CG 4.45Å; Y366-L389 HydrophobicContact CG-CD2 4.05Å; E385-L389 WeakPolarHBondContact O-CG 3.49Å; E385-L389 PolarHBondContact O-N 2.93Å; R387-L389 VanDerWaalsContact C-N 3.31Å; R387-L389 PolarHBondContact O-N 3.4Å; L389-L392 HydrophobicContact CD2-CD2 4.47Å; L389-A393 WeakPolarHBondContact O-CB 3.38Å; L389-A393 PolarHBondContact O-N 2.99Å; L389-V470 HydrophobicContact CD1-CG1 3.91Å; L389-V470 HydrophobicContact CD2-CG1 4.34Å; L389-A474 HydrophobicContact CB-CB 3.49Å; L389-A474 VanDerWaalsContact CB-CB 3.49Å; L389-A474 HydrophobicContact CD1-CB 4.09Å; L389-A474 HydrophobicContact CG-CB 4.45Å
390	F	92.9	Very high	90	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.018	23%	0.233	C	C	.	.	H	α-helix	trans	-65.4	-46	171.7	166.2	-79.6	0	0	0	111.5	Y386 R387 A393 L394 I475 T478 I479 F626 L629	Y386-F390 WeakPolarHBondContact O-CB 3.23Å; Y386-F390 PolarHBondContact O-N 3.21Å; R387-F390 WeakPolarHBondContact O-CB 3.31Å; R387-F390 PolarHBondContact O-N 2.86Å; R387-F390 VanDerWaalsContact O-N 3.14Å; F390-A393 PolarHBondContact O-N 3.21Å; F390-L394 PolarHBondContact O-N 3.2Å; F390-I475 HydrophobicContact CD2-CB 4.4Å; F390-I475 HydrophobicContact CD2-CG1 4.08Å; F390-I475 HydrophobicContact CD2-CG2 4.41Å; F390-T478 HydrophobicContact CB-CG2 3.91Å; F390-T478 HydrophobicContact CD1-CG2 4.05Å; F390-T478 HydrophobicContact CD2-CG2 3.83Å; F390-T478 HydrophobicContact CE2-CG2 4.36Å; F390-T478 HydrophobicContact CG-CG2 3.67Å; F390-I479 HydrophobicContact CD2-CG1 4.39Å; F390-I479 HydrophobicContact CE2-CD1 4.18Å; F390-I479 HydrophobicContact CE2-CG1 3.82Å; F390-F626 HydrophobicContact CE2-CD1 4.08Å; F390-F626 HydrophobicContact CE2-CE1 4.11Å; F390-F626 AromaticContact CZ-CD1 3.93Å; F390-F626 HydrophobicContact CZ-CD1 3.93Å; F390-F626 AromaticContact CZ-CE1 3.72Å; F390-F626 HydrophobicContact CZ-CE1 3.72Å; F390-L629 HydrophobicContact CD2-CD1 3.94Å; F390-L629 HydrophobicContact CE1-CD1 4.18Å; F390-L629 HydrophobicContact CE2-CD1 3.31Å; F390-L629 HydrophobicContact CZ-CD1 3.43Å; F390-L629 VanDerWaalsContact CZ-CD1 3.43Å
391	D	93	Very high	91.4	Very high	52 Å²	52	41.2 Å²	41.2	28%	0.278	20%	0.195	S	C	.	.	H	α-helix	trans	-71.6	-31.6	-179.5	-73	-35.2	0	0	0	111.2	R387 E388 R395	R387-D391 WeakPolarHBondContact CD-OD2 3.42Å; R387-D391 WeakPolarHBondContact CG-OD2 3.37Å; R387-D391 IonicContact CZ-OD1 3.71Å; R387-D391 IonicContact CZ-OD2 2.8Å; R387-D391 IonicContact NE-OD1 3.96Å; R387-D391 PolarHBondContact NE-OD1 3.38Å; R387-D391 IonicContact NE-OD2 2.65Å; R387-D391 PolarHBondContact NE-OD2 3.18Å; R387-D391 IonicContact NH2-OD1 3.06Å; R387-D391 PolarHBondContact NH2-OD1 2.87Å; R387-D391 IonicContact NH2-OD2 3.5Å; R387-D391 PolarHBondContact O-N 2.58Å; E388-D391 PolarHBondContact O-N 3.3Å; D391-R395 WeakPolarHBondContact O-CB 3.47Å; D391-R395 VanDerWaalsContact O-CG 3.23Å; D391-R395 WeakPolarHBondContact O-CG 3.38Å; D391-R395 PolarHBondContact O-N 3.1Å; D391-R395 PolarHBondContact O-NE 3.25Å
392	L	92.8	Very high	92.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.1	-45.7	169.7	-171.9	71.6	0	0	0	111.4	F359 E362 L363 Y366 E388 L389 L394 R395 G396 F471	F359-L392 HydrophobicContact CD2-CD1 4.37Å; F359-L392 HydrophobicContact CE2-CD1 3.59Å; F359-L392 HydrophobicContact CE2-CG 4.31Å; F359-L392 HydrophobicContact CZ-CD1 3.79Å; F359-L392 HydrophobicContact CZ-CG 4.1Å; F359-L392 WeakPolarHBondContact CZ-O 3.08Å; E362-L392 HydrophobicContact CG-CD1 4.09Å; L363-L392 HydrophobicContact CD1-CD2 3.72Å; L363-L392 HydrophobicContact CD1-CG 4.33Å; Y366-L392 HydrophobicContact CD2-CD2 3.52Å; Y366-L392 HydrophobicContact CE2-CD2 4Å; Y366-L392 HydrophobicContact CG-CD2 4.09Å; E388-L392 VanDerWaalsContact O-CB 3.24Å; E388-L392 WeakPolarHBondContact O-CB 3.36Å; E388-L392 PolarHBondContact O-N 3.09Å; L389-L392 HydrophobicContact CD2-CD2 4.47Å; L392-L394 PolarHBondContact O-N 3.24Å; L392-R395 PolarHBondContact O-N 2.95Å; L392-G396 PolarHBondContact O-N 2.91Å; L392-F471 HydrophobicContact CD2-CE1 4.19Å; L392-F471 HydrophobicContact CD2-CZ 4.46Å; L392-F471 HydrophobicContact CG-CE1 4.43Å
393	A	92.9	Very high	92.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59	-45.8	176.3	0	0	0	0	0	111.9	L389 F390 G396 L397 F471 I475 L629 I632	L389-A393 WeakPolarHBondContact O-CB 3.38Å; L389-A393 PolarHBondContact O-N 2.99Å; F390-A393 PolarHBondContact O-N 3.21Å; A393-G396 PolarHBondContact O-N 3.26Å; A393-L397 WeakPolarHBondContact O-CG 3.49Å; A393-L397 PolarHBondContact O-N 3.44Å; A393-L397 VanDerWaalsContact O-N 3.12Å; A393-F471 HydrophobicContact CB-CB 4.36Å; A393-F471 HydrophobicContact CB-CD1 3.67Å; A393-F471 HydrophobicContact CB-CD2 4.42Å; A393-F471 HydrophobicContact CB-CE1 3.93Å; A393-F471 HydrophobicContact CB-CG 3.93Å; A393-F471 HydrophobicContact CB-CZ 4.41Å; A393-I475 HydrophobicContact CB-CD1 3.99Å; A393-L629 HydrophobicContact CB-CD2 4.2Å; A393-I632 HydrophobicContact CB-CD1 4.1Å
394	L	94.1	Very high	93	Very high	20 Å²	20	38.1 Å²	38.1	11%	0.105	17%	0.172	C	C	.	.	H	α-helix	trans	-64.9	-45.5	178.1	-177.5	56.3	0	0	0	112.1	L255 F390 L392 G396 L397 Q398 F625 L629	L255-L394 HydrophobicContact CD1-CD1 4.05Å; F390-L394 PolarHBondContact O-N 3.2Å; L392-L394 PolarHBondContact O-N 3.24Å; L394-G396 VanDerWaalsContact C-N 3.32Å; L394-G396 PolarHBondContact O-N 2.92Å; L394-L397 PolarHBondContact O-N 3.24Å; L394-Q398 HydrophobicContact CD1-CG 4.26Å; L394-Q398 WeakPolarHBondContact O-CB 3.28Å; L394-Q398 VanDerWaalsContact O-CG 3.31Å; L394-Q398 WeakPolarHBondContact O-CG 3.26Å; L394-Q398 PolarHBondContact O-N 2.93Å; L394-F625 HydrophobicContact CD1-CB 3.9Å; L394-F625 HydrophobicContact CD1-CD1 3.87Å; L394-F625 HydrophobicContact CD1-CD2 4.42Å; L394-F625 HydrophobicContact CD1-CG 3.81Å; L394-F625 HydrophobicContact CD2-CB 4.27Å; L394-F625 HydrophobicContact CD2-CD2 4.05Å; L394-F625 HydrophobicContact CD2-CG 4.18Å; L394-L629 HydrophobicContact CB-CD1 4.16Å; L394-L629 HydrophobicContact CB-CD2 4.15Å; L394-L629 HydrophobicContact CD1-CD1 4.28Å; L394-L629 HydrophobicContact CD1-CD2 4.42Å; L394-L629 HydrophobicContact CD2-CD1 4.48Å
395	R	94.1	Very high	93.2	Very high	91 Å²	91	30.8 Å²	30.8	34%	0.343	14%	0.138	S	C	.	.	H	α-helix	trans	-60.1	-41.1	176	-77.6	-178.2	-64.8	142.8	-6.9	112	F359 E362 D391 L392 Q398 L399	F359-R395 HydrophobicContact CD2-CB 4.41Å; F359-R395 HydrophobicContact CE2-CB 3.77Å; E362-R395 VanDerWaalsContact CD-NH1 3.33Å; E362-R395 IonicContact OE1-CZ 3.7Å; E362-R395 IonicContact OE1-NH1 3.85Å; E362-R395 PolarHBondContact OE1-NH1 3.35Å; E362-R395 IonicContact OE1-NH2 2.75Å; E362-R395 PolarHBondContact OE1-NH2 3.07Å; E362-R395 IonicContact OE2-CZ 3.34Å; E362-R395 IonicContact OE2-NH1 2.7Å; E362-R395 PolarHBondContact OE2-NH1 3.32Å; E362-R395 IonicContact OE2-NH2 3.5Å; D391-R395 WeakPolarHBondContact O-CB 3.47Å; D391-R395 VanDerWaalsContact O-CG 3.23Å; D391-R395 WeakPolarHBondContact O-CG 3.38Å; D391-R395 PolarHBondContact O-N 3.1Å; D391-R395 PolarHBondContact O-NE 3.25Å; L392-R395 PolarHBondContact O-N 2.95Å; R395-Q398 PolarHBondContact O-N 2.97Å; R395-L399 VanDerWaalsContact O-CB 3.26Å; R395-L399 WeakPolarHBondContact O-CB 3.25Å; R395-L399 PolarHBondContact O-N 3.08Å
396	G	94	Very high	93.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.3	-46.1	177.3	0	0	0	0	0	112.8	L392 A393 L394 L399 L400	L392-G396 PolarHBondContact O-N 2.91Å; A393-G396 PolarHBondContact O-N 3.26Å; L394-G396 VanDerWaalsContact C-N 3.32Å; L394-G396 PolarHBondContact O-N 2.92Å; G396-L399 PolarHBondContact O-N 3.36Å; G396-L400 WeakPolarHBondContact O-CB 3.47Å; G396-L400 VanDerWaalsContact O-CG 3.32Å; G396-L400 WeakPolarHBondContact O-CG 3.32Å; G396-L400 PolarHBondContact O-N 3.13Å
397	L	95.1	Very high	93.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.5	-43.3	175.6	-67.1	172.7	0	0	0	112.2	L255 A393 L394 L399 S401 M464 L629 I632 A635 L636	L255-L397 HydrophobicContact CD1-CB 3.96Å; L255-L397 HydrophobicContact CD2-CB 4.2Å; L255-L397 HydrophobicContact CD2-CD1 4.06Å; L255-L397 HydrophobicContact CG-CB 4.43Å; A393-L397 WeakPolarHBondContact O-CG 3.49Å; A393-L397 PolarHBondContact O-N 3.44Å; A393-L397 VanDerWaalsContact O-N 3.12Å; L394-L397 PolarHBondContact O-N 3.24Å; L397-L399 VanDerWaalsContact C-N 3.31Å; L397-L399 PolarHBondContact O-N 3.23Å; L397-S401 VanDerWaalsContact O-CB 3.25Å; L397-S401 WeakPolarHBondContact O-CB 3.38Å; L397-S401 PolarHBondContact O-N 2.86Å; L397-M464 HydrophobicContact CG-CE 4.36Å; L397-L629 HydrophobicContact CD1-CD2 3.85Å; L397-I632 HydrophobicContact CD1-CG1 4.32Å; L397-A635 HydrophobicContact CD1-CB 4.19Å; L397-A635 HydrophobicContact CD2-CB 4.49Å; L397-L636 HydrophobicContact CD2-CB 3.89Å; L397-L636 HydrophobicContact CD2-CD1 3.9Å
398	Q	94.8	Very high	93.7	Very high	80 Å²	80	23.4 Å²	23.4	37%	0.374	11%	0.108	S	C	.	.	H	α-helix	trans	-62.7	-37.1	175.8	-73.7	175.6	-8.3	0	0	112.4	L255 L394 R395 K402	L255-Q398 HydrophobicContact CD1-CG 3.7Å; L394-Q398 HydrophobicContact CD1-CG 4.26Å; L394-Q398 WeakPolarHBondContact O-CB 3.28Å; L394-Q398 VanDerWaalsContact O-CG 3.31Å; L394-Q398 WeakPolarHBondContact O-CG 3.26Å; L394-Q398 PolarHBondContact O-N 2.93Å; R395-Q398 PolarHBondContact O-N 2.97Å; Q398-K402 WeakPolarHBondContact O-CB 3.26Å; Q398-K402 PolarHBondContact O-N 2.92Å
399	L	94.1	Very high	93.8	Very high	17 Å²	17	19.1 Å²	19.1	9%	0.089	9%	0.088	C	C	.	.	H	α-helix	trans	-70.8	-47.3	179.2	-175.5	58.5	0	0	0	111.8	D355 F359 R395 G396 L397 S401 K402 W403 L460	D355-L399 HydrophobicContact CB-CD1 3.74Å; D355-L399 HydrophobicContact CB-CD2 4.4Å; F359-L399 HydrophobicContact CB-CD2 3.64Å; F359-L399 HydrophobicContact CD1-CD2 4.28Å; F359-L399 HydrophobicContact CD2-CD2 4.38Å; F359-L399 HydrophobicContact CG-CD2 3.82Å; R395-L399 VanDerWaalsContact O-CB 3.26Å; R395-L399 WeakPolarHBondContact O-CB 3.25Å; R395-L399 PolarHBondContact O-N 3.08Å; G396-L399 PolarHBondContact O-N 3.36Å; L397-L399 VanDerWaalsContact C-N 3.31Å; L397-L399 PolarHBondContact O-N 3.23Å; L399-S401 VanDerWaalsContact C-N 3.33Å; L399-S401 PolarHBondContact O-N 2.95Å; L399-K402 HydrophobicContact CD1-CD 4.4Å; L399-K402 WeakPolarHBondContact O-CB 3.46Å; L399-K402 PolarHBondContact O-N 3.38Å; L399-W403 HydrophobicContact CD1-CD2 4.34Å; L399-W403 VanDerWaalsContact CD1-CE2 3.46Å; L399-W403 HydrophobicContact CD1-CH2 4.39Å; L399-W403 HydrophobicContact CD1-CZ2 3.52Å; L399-W403 HydrophobicContact CD2-CH2 3.67Å; L399-W403 HydrophobicContact CD2-CZ2 3.53Å; L399-W403 HydrophobicContact CG-CD2 4.2Å; L399-W403 HydrophobicContact CG-CH2 3.76Å; L399-W403 HydrophobicContact CG-CZ2 3.38Å; L399-W403 HydrophobicContact CG-CZ3 4.32Å; L399-W403 PolarHBondContact O-N 3.18Å; L399-L460 HydrophobicContact CD2-CD2 4.23Å
400	L	95.6	Very high	93.9	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-56.5	-47	172.5	-73.2	167.1	0	0	0	111.4	G396 K402 W403 S404 I457 L460 M464 L636 C639	G396-L400 WeakPolarHBondContact O-CB 3.47Å; G396-L400 VanDerWaalsContact O-CG 3.32Å; G396-L400 WeakPolarHBondContact O-CG 3.32Å; G396-L400 PolarHBondContact O-N 3.13Å; L400-K402 PolarHBondContact O-N 2.96Å; L400-W403 HydrophobicContact CD2-CE3 4.31Å; L400-W403 HydrophobicContact CD2-CZ3 4.41Å; L400-W403 PolarHBondContact O-N 3.07Å; L400-S404 WeakPolarHBondContact O-CB 3.39Å; L400-S404 PolarHBondContact O-N 2.65Å; L400-S404 PolarHBondContact O-OG 3.47Å; L400-S404 VanDerWaalsContact O-OG 3.07Å; L400-I457 HydrophobicContact CD2-CB 4.45Å; L400-I457 HydrophobicContact CD2-CG2 4.21Å; L400-I457 VanDerWaalsContact CD2-O 3.3Å; L400-I457 WeakPolarHBondContact CD2-O 3.32Å; L400-L460 HydrophobicContact CD1-CD2 4.46Å; L400-L460 HydrophobicContact CD1-CG 4.26Å; L400-L460 HydrophobicContact CD2-CB 3.85Å; L400-L460 HydrophobicContact CD2-CD2 3.86Å; L400-L460 HydrophobicContact CD2-CG 3.87Å; L400-L460 HydrophobicContact CG-CD2 3.87Å; L400-L460 HydrophobicContact CG-CG 4.1Å; L400-M464 HydrophobicContact CD1-CG 4.14Å; L400-L636 HydrophobicContact CD1-CD1 3.42Å; L400-L636 VanDerWaalsContact CD1-CD1 3.42Å; L400-C639 CarbonylContact C-O 3.6Å; L400-C639 HydrophobicContact CB-CB 4.15Å
401	S	95.8	Very high	94	Very high	5 Å²	5	19 Å²	19	4%	0.035	9%	0.087	C	C	.	.	H	α-helix	trans	-60.9	-43	176	178.3	0	0	0	0	112.8	L255 P257 L397 L399 W403 A405	L255-S401 WeakPolarHBondContact O-CB 3.27Å; L255-S401 PolarHBondContact O-OG 3.1Å; P257-S401 WeakPolarHBondContact CD-OG 3.36Å; L397-S401 VanDerWaalsContact O-CB 3.25Å; L397-S401 WeakPolarHBondContact O-CB 3.38Å; L397-S401 PolarHBondContact O-N 2.86Å; L399-S401 VanDerWaalsContact C-N 3.33Å; L399-S401 PolarHBondContact O-N 2.95Å; S401-W403 VanDerWaalsContact C-N 3.31Å; S401-W403 PolarHBondContact O-N 2.78Å; S401-A405 WeakPolarHBondContact O-CB 3.39Å; S401-A405 PolarHBondContact O-N 3.04Å
402	K	93.4	Very high	94	Very high	96 Å²	96	16.5 Å²	16.5	42%	0.417	7%	0.074	S	C	.	.	H	α-helix	trans	-56.2	-45.5	174.7	175.1	-171.3	170.7	-173.1	0	111.1	D355 Q398 L399 L400 H406	D355-K402 IonicContact OD2-NZ 2.6Å; D355-K402 PolarHBondContact OD2-NZ 3.12Å; Q398-K402 WeakPolarHBondContact O-CB 3.26Å; Q398-K402 PolarHBondContact O-N 2.92Å; L399-K402 HydrophobicContact CD1-CD 4.4Å; L399-K402 WeakPolarHBondContact O-CB 3.46Å; L399-K402 PolarHBondContact O-N 3.38Å; L400-K402 PolarHBondContact O-N 2.96Å; K402-H406 WeakPolarHBondContact O-CB 3.48Å; K402-H406 PolarHBondContact O-N 2.89Å; K402-H406 VanDerWaalsContact O-N 3.15Å
403	W	95.2	Very high	94	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-71.1	-49.8	-179.5	-60.2	-21	0	0	0	112.4	I352 D355 H356 L399 L400 S401 A405 H406 V407 V453 M456 I457 L460	I352-W403 HydrophobicContact CG2-CD2 4.38Å; I352-W403 HydrophobicContact CG2-CG 4.34Å; I352-W403 HydrophobicContact CG2-CZ2 4.44Å; D355-W403 HydrophobicContact CB-CZ2 4.34Å; H356-W403 HydrophobicContact CB-CH2 3.56Å; H356-W403 HydrophobicContact CB-CZ2 3.69Å; H356-W403 AromaticContact CD2-CH2 3.64Å; L399-W403 HydrophobicContact CD1-CD2 4.34Å; L399-W403 VanDerWaalsContact CD1-CE2 3.46Å; L399-W403 HydrophobicContact CD1-CH2 4.39Å; L399-W403 HydrophobicContact CD1-CZ2 3.52Å; L399-W403 HydrophobicContact CD2-CH2 3.67Å; L399-W403 HydrophobicContact CD2-CZ2 3.53Å; L399-W403 HydrophobicContact CG-CD2 4.2Å; L399-W403 HydrophobicContact CG-CH2 3.76Å; L399-W403 HydrophobicContact CG-CZ2 3.38Å; L399-W403 HydrophobicContact CG-CZ3 4.32Å; L399-W403 PolarHBondContact O-N 3.18Å; L400-W403 HydrophobicContact CD2-CE3 4.31Å; L400-W403 HydrophobicContact CD2-CZ3 4.41Å; L400-W403 PolarHBondContact O-N 3.07Å; S401-W403 VanDerWaalsContact C-N 3.31Å; S401-W403 PolarHBondContact O-N 2.78Å; W403-A405 VanDerWaalsContact C-N 3.31Å; W403-A405 PolarHBondContact O-N 3.44Å; W403-H406 WeakPolarHBondContact O-CA 3.46Å; W403-H406 WeakPolarHBondContact O-CB 3.44Å; W403-H406 PolarHBondContact O-N 3.33Å; W403-V407 PolarHBondContact O-N 2.83Å; W403-V453 HydrophobicContact CB-CG1 3.95Å; W403-M456 HydrophobicContact CE3-CB 4.24Å; W403-M456 HydrophobicContact CH2-CB 4.44Å; W403-M456 HydrophobicContact CZ3-CB 3.99Å; W403-I457 HydrophobicContact CB-CD1 3.88Å; W403-I457 HydrophobicContact CB-CG1 3.61Å; W403-I457 HydrophobicContact CE3-CG1 4.04Å; W403-L460 HydrophobicContact CH2-CD2 3.85Å; W403-L460 HydrophobicContact CZ3-CB 4.21Å; W403-L460 HydrophobicContact CZ3-CD2 3.59Å
404	S	95.5	Very high	94	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.1	-40.9	178.4	-57	0	0	0	0	111.8	L400 H406 V407 M408 C639	L400-S404 WeakPolarHBondContact O-CB 3.39Å; L400-S404 PolarHBondContact O-N 2.65Å; L400-S404 PolarHBondContact O-OG 3.47Å; L400-S404 VanDerWaalsContact O-OG 3.07Å; S404-H406 VanDerWaalsContact C-N 3.31Å; S404-H406 PolarHBondContact O-N 2.89Å; S404-V407 PolarHBondContact O-N 3.23Å; S404-M408 WeakPolarHBondContact O-CG 3.36Å; S404-M408 PolarHBondContact O-N 3.28Å; S404-C639 WeakPolarHBondContact CB-O 3.32Å; S404-C639 PolarHBondContact OG-O 2.86Å
405	A	93.6	Very high	94	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.008	8%	0.079	C	C	.	.	H	α-helix	trans	-58.7	-43	172.2	0	0	0	0	0	111.4	P257 K260 S401 W403 M408 E409	P257-A405 HydrophobicContact CB-CB 3.91Å; P257-A405 HydrophobicContact CG-CB 4.11Å; K260-A405 HydrophobicContact CD-CB 4.44Å; S401-A405 WeakPolarHBondContact O-CB 3.39Å; S401-A405 PolarHBondContact O-N 3.04Å; W403-A405 VanDerWaalsContact C-N 3.31Å; W403-A405 PolarHBondContact O-N 3.44Å; A405-M408 PolarHBondContact O-N 3.41Å; A405-E409 WeakPolarHBondContact O-CB 3.22Å; A405-E409 VanDerWaalsContact O-CD 3.22Å; A405-E409 WeakPolarHBondContact O-CG 3.35Å; A405-E409 PolarHBondContact O-N 2.72Å
406	H	91.5	Very high	93.9	Very high	16 Å²	16	16.6 Å²	16.6	7%	0.074	8%	0.08	C	C	.	.	H	α-helix	trans	-63.5	-45.8	178.7	-169.5	54.2	0	0	0	112.5	Q342 K402 W403 S404 M408 E409 V410	Q342-H406 PolarHBondContact O-CE1 2.89Å; K402-H406 WeakPolarHBondContact O-CB 3.48Å; K402-H406 PolarHBondContact O-N 2.89Å; K402-H406 VanDerWaalsContact O-N 3.15Å; W403-H406 WeakPolarHBondContact O-CA 3.46Å; W403-H406 WeakPolarHBondContact O-CB 3.44Å; W403-H406 PolarHBondContact O-N 3.33Å; S404-H406 VanDerWaalsContact C-N 3.31Å; S404-H406 PolarHBondContact O-N 2.89Å; H406-M408 PolarHBondContact O-N 3.38Å; H406-E409 PolarHBondContact O-N 3.37Å; H406-V410 WeakPolarHBondContact O-CG2 3.39Å; H406-V410 PolarHBondContact O-N 3.36Å
407	V	93.7	Very high	93.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.6	-48.2	175.2	-179.8	0	0	0	0	110.9	W403 S404 Y411 F450 V453 I454 I457 L642 L645	W403-V407 PolarHBondContact O-N 2.83Å; S404-V407 PolarHBondContact O-N 3.23Å; V407-Y411 WeakPolarHBondContact O-CB 3.42Å; V407-Y411 PolarHBondContact O-N 3.09Å; V407-Y411 VanDerWaalsContact O-N 3.11Å; V407-F450 HydrophobicContact CG1-CD1 3.81Å; V407-F450 HydrophobicContact CG1-CE1 3.59Å; V407-F450 HydrophobicContact CG1-CZ 4.49Å; V407-V453 HydrophobicContact CG2-CB 4Å; V407-V453 HydrophobicContact CG2-CG1 3.47Å; V407-V453 VanDerWaalsContact CG2-CG1 3.47Å; V407-I454 HydrophobicContact CG1-CG1 4.37Å; V407-I457 HydrophobicContact CG2-CD1 4.08Å; V407-L642 HydrophobicContact CB-CD2 4.24Å; V407-L642 HydrophobicContact CG1-CD2 4.16Å; V407-L645 HydrophobicContact CG1-CD1 4.43Å
408	M	94	Very high	93.6	Very high	13 Å²	13	21.2 Å²	21.2	6%	0.064	10%	0.104	C	C	.	.	H	α-helix	trans	-66	-38.5	178.7	-66.5	-55.5	91	0	0	112.7	S404 A405 H406 Y411 S412 L642 L645	S404-M408 WeakPolarHBondContact O-CG 3.36Å; S404-M408 PolarHBondContact O-N 3.28Å; A405-M408 PolarHBondContact O-N 3.41Å; H406-M408 PolarHBondContact O-N 3.38Å; M408-Y411 PolarHBondContact O-N 3.46Å; M408-S412 VanDerWaalsContact O-CB 3.3Å; M408-S412 WeakPolarHBondContact O-CB 3.29Å; M408-S412 PolarHBondContact O-N 3.44Å; M408-S412 PolarHBondContact O-OG 3.02Å; M408-L642 HydrophobicContact CE-CB 4.43Å; M408-L642 HydrophobicContact CE-CD2 3.55Å; M408-L645 HydrophobicContact CE-CD1 3.94Å; M408-L645 HydrophobicContact CE-CD2 3.71Å; M408-L645 HydrophobicContact CE-CG 3.66Å
409	E	93.5	Very high	93.5	Very high	3 Å²	3	18 Å²	18	1%	0.014	9%	0.09	C	C	.	.	H	α-helix	trans	-69.8	-39.5	-177.9	-73.9	163.3	-167.5	0	0	112.3	K260 H261 L302 Q342 A405 H406 W413	K260-E409 WeakPolarHBondContact CE-OE1 3.46Å; K260-E409 VanDerWaalsContact NZ-CD 3.35Å; K260-E409 IonicContact NZ-OE1 2.71Å; K260-E409 PolarHBondContact NZ-OE1 3.38Å; K260-E409 IonicContact NZ-OE2 2.74Å; K260-E409 PolarHBondContact NZ-OE2 3.12Å; H261-E409 IonicContact CD2-OE1 3.6Å; H261-E409 IonicContact CE1-OE1 3.14Å; H261-E409 WeakPolarHBondContact NE2-CG 3.21Å; H261-E409 IonicContact NE2-OE1 3.56Å; H261-E409 PolarHBondContact NE2-OE1 3.45Å; L302-E409 HydrophobicContact CD1-CB 4.07Å; L302-E409 HydrophobicContact CD1-CG 3.72Å; L302-E409 HydrophobicContact CD2-CG 4.13Å; L302-E409 WeakPolarHBondContact CD2-OE1 3.28Å; Q342-E409 PolarHBondContact NE2-OE2 3.31Å; A405-E409 WeakPolarHBondContact O-CB 3.22Å; A405-E409 VanDerWaalsContact O-CD 3.22Å; A405-E409 WeakPolarHBondContact O-CG 3.35Å; A405-E409 PolarHBondContact O-N 2.72Å; H406-E409 PolarHBondContact O-N 3.37Å; E409-W413 WeakPolarHBondContact O-CB 3.35Å; E409-W413 PolarHBondContact O-N 3.48Å
410	V	93	Very high	93.3	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-66.8	-45.2	173.2	-179.7	0	0	0	0	110.4	H406 S412 W413 K414 F450	H406-V410 WeakPolarHBondContact O-CG2 3.39Å; H406-V410 PolarHBondContact O-N 3.36Å; V410-S412 PolarHBondContact O-N 3.29Å; V410-W413 PolarHBondContact O-N 3.3Å; V410-K414 HydrophobicContact CG1-CG 4.28Å; V410-K414 WeakPolarHBondContact O-CB 3.45Å; V410-K414 WeakPolarHBondContact O-CG 3.29Å; V410-K414 PolarHBondContact O-N 2.84Å; V410-F450 HydrophobicContact CB-CE2 4.03Å; V410-F450 HydrophobicContact CB-CZ 3.86Å; V410-F450 HydrophobicContact CG1-CE2 3.64Å; V410-F450 HydrophobicContact CG1-CZ 3.82Å
411	Y	94	Very high	93	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.016	13%	0.126	C	C	.	.	H	α-helix	trans	-56.9	-48.7	174.4	173.7	-115.8	0	0	0	112.1	V407 M408 W413 K414 L415 L645 M668	V407-Y411 WeakPolarHBondContact O-CB 3.42Å; V407-Y411 PolarHBondContact O-N 3.09Å; V407-Y411 VanDerWaalsContact O-N 3.11Å; M408-Y411 PolarHBondContact O-N 3.46Å; Y411-W413 VanDerWaalsContact C-N 3.33Å; Y411-W413 PolarHBondContact O-N 2.97Å; Y411-K414 PolarHBondContact O-N 3.45Å; Y411-L415 HydrophobicContact CD1-CD1 4.17Å; Y411-L415 HydrophobicContact CD2-CG 4.27Å; Y411-L415 HydrophobicContact CE1-CD1 3.62Å; Y411-L415 HydrophobicContact CE1-CG 4.34Å; Y411-L415 HydrophobicContact CE2-CD1 4.03Å; Y411-L415 HydrophobicContact CE2-CD2 3.89Å; Y411-L415 HydrophobicContact CE2-CG 3.92Å; Y411-L415 WeakPolarHBondContact O-CG 3.37Å; Y411-L415 PolarHBondContact O-N 3.25Å; Y411-L645 HydrophobicContact CD1-CD2 3.73Å; Y411-L645 HydrophobicContact CD2-CD2 3.75Å; Y411-L645 HydrophobicContact CE1-CD2 4.06Å; Y411-L645 HydrophobicContact CE2-CD2 4.12Å; Y411-L645 HydrophobicContact CG-CD2 3.55Å; Y411-M668 HydrophobicContact CD2-CE 4.44Å; Y411-M668 HydrophobicContact CD2-CG 4.17Å; Y411-M668 HydrophobicContact CD2-SD 4.46Å; Y411-M668 HydrophobicContact CE2-CG 3.64Å; Y411-M668 HydrophobicContact CE2-SD 4.3Å
412	S	93.4	Very high	92.8	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.007	16%	0.158	C	C	.	.	H	α-helix	trans	-57.8	-43.8	178.5	-56.9	0	0	0	0	112.2	V304 P306 Q312 M408 V410 L415 V416	V304-S412 WeakPolarHBondContact CG1-O 3.32Å; P306-S412 WeakPolarHBondContact CD-OG 3.31Å; P306-S412 WeakPolarHBondContact CG-OG 3.13Å; Q312-S412 PolarHBondContact OE1-OG 2.9Å; M408-S412 VanDerWaalsContact O-CB 3.3Å; M408-S412 WeakPolarHBondContact O-CB 3.29Å; M408-S412 PolarHBondContact O-N 3.44Å; M408-S412 PolarHBondContact O-OG 3.02Å; V410-S412 PolarHBondContact O-N 3.29Å; S412-L415 PolarHBondContact O-N 2.93Å; S412-V416 PolarHBondContact O-N 2.89Å
413	W	93	Very high	92.5	Very high	31 Å²	31	33.9 Å²	33.9	12%	0.117	17%	0.173	C	C	.	.	H	α-helix	trans	-67.7	-40.8	179	-172.5	93.1	0	0	0	112.2	V304 I339 Y343 E409 V410 Y411 L415 V416 H417	V304-W413 HydrophobicContact CG2-CG 4.49Å; I339-W413 HydrophobicContact CG1-CZ2 4.37Å; Y343-W413 HydrophobicContact CD1-CB 3.61Å; Y343-W413 HydrophobicContact CD1-CD2 4.38Å; Y343-W413 AromaticContact CD1-CG 3.74Å; Y343-W413 HydrophobicContact CD1-CG 3.74Å; Y343-W413 AromaticContact CD2-CD1 3.63Å; Y343-W413 HydrophobicContact CD2-CD2 4.21Å; Y343-W413 AromaticContact CD2-CG 3.95Å; Y343-W413 HydrophobicContact CD2-CG 3.95Å; Y343-W413 AromaticContact CD2-NE1 3.68Å; Y343-W413 HydrophobicContact CE1-CB 3.44Å; Y343-W413 VanDerWaalsContact CE1-CB 3.44Å; Y343-W413 AromaticContact CE1-CD1 3.73Å; Y343-W413 AromaticContact CE1-CG 3.7Å; Y343-W413 HydrophobicContact CE1-CG 3.7Å; Y343-W413 AromaticContact CE2-CD1 3.24Å; Y343-W413 AromaticContact CE2-CG 3.91Å; Y343-W413 HydrophobicContact CE2-CG 3.91Å; Y343-W413 AromaticContact CE2-NE1 3.54Å; Y343-W413 HydrophobicContact CG-CB 4.24Å; Y343-W413 HydrophobicContact CG-CD2 4.11Å; Y343-W413 AromaticContact CG-CG 3.86Å; Y343-W413 HydrophobicContact CG-CG 3.86Å; Y343-W413 AromaticContact CZ-CD1 3.28Å; Y343-W413 AromaticContact CZ-CG 3.77Å; E409-W413 WeakPolarHBondContact O-CB 3.35Å; E409-W413 PolarHBondContact O-N 3.48Å; V410-W413 PolarHBondContact O-N 3.3Å; Y411-W413 VanDerWaalsContact C-N 3.33Å; Y411-W413 PolarHBondContact O-N 2.97Å; W413-L415 VanDerWaalsContact C-N 3.33Å; W413-V416 PolarHBondContact O-N 3.47Å; W413-H417 AromaticContact CD1-CE1 3.62Å; W413-H417 AromaticContact CD1-ND1 3.62Å; W413-H417 HydrophobicContact CD2-CB 4.5Å; W413-H417 AromaticContact CD2-ND1 3.42Å; W413-H417 AromaticContact CE2-CE1 3.55Å; W413-H417 AromaticContact CE2-CG 3.91Å; W413-H417 AromaticContact CE2-ND1 3.25Å; W413-H417 VanDerWaalsContact CE2-ND1 3.25Å; W413-H417 HydrophobicContact CE3-CB 4.25Å; W413-H417 AromaticContact CG-ND1 3.67Å; W413-H417 HydrophobicContact CH2-CB 4.1Å; W413-H417 HydrophobicContact CZ2-CB 4.35Å; W413-H417 AromaticContact CZ2-CG 3.91Å; W413-H417 AromaticContact CZ2-ND1 3.73Å; W413-H417 HydrophobicContact CZ3-CB 4.04Å; W413-H417 AromaticContact NE1-CE1 3.25Å; W413-H417 PolarHBondContact NE1-CE1 2.96Å; W413-H417 AromaticContact NE1-ND1 3.4Å; W413-H417 PolarHBondContact NE1-ND1 2.6Å; W413-H417 WeakPolarHBondContact O-CB 3.25Å; W413-H417 PolarHBondContact O-N 3.2Å; W413-H417 PolarHBondContact O-ND1 3.09Å
414	K	93.1	Very high	92.2	Very high	19 Å²	19	35.9 Å²	35.9	8%	0.083	18%	0.183	C	C	.	.	H	α-helix	trans	-65.9	-33.9	176.2	-66.1	-83	-174.9	167.8	0	112.1	V410 Y411 V416 H417 N441 Y442 E446	V410-K414 HydrophobicContact CG1-CG 4.28Å; V410-K414 WeakPolarHBondContact O-CB 3.45Å; V410-K414 WeakPolarHBondContact O-CG 3.29Å; V410-K414 PolarHBondContact O-N 2.84Å; Y411-K414 PolarHBondContact O-N 3.45Å; K414-V416 PolarHBondContact O-N 3.31Å; K414-H417 CarbonylContact O-C 3.19Å; K414-H417 PolarHBondContact O-N 2.71Å; K414-N441 HydrophobicContact CD-CB 4.14Å; K414-N441 WeakPolarHBondContact CD-O 3.46Å; K414-N441 WeakPolarHBondContact CE-O 3.13Å; K414-N441 PolarHBondContact NZ-O 3.18Å; K414-N441 PolarHBondContact O-ND2 2.8Å; K414-Y442 WeakPolarHBondContact CB-OH 3.42Å; K414-Y442 HydrophobicContact CD-CE1 4.35Å; K414-Y442 HydrophobicContact CG-CE1 3.92Å; K414-E446 WeakPolarHBondContact CE-OE1 3.18Å; K414-E446 IonicContact NZ-OE1 2.64Å; K414-E446 PolarHBondContact NZ-OE1 3.31Å; K414-E446 IonicContact NZ-OE2 2.82Å
415	L	94.3	Very high	92	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-63.2	-37.6	175.9	-75.8	-174.8	0	0	0	113.4	D310 Q312 Y411 S412 W413 Y434 A437 T438 F651	D310-L415 HydrophobicContact CB-CD1 4.42Å; Q312-L415 HydrophobicContact CG-CB 3.98Å; Q312-L415 HydrophobicContact CG-CD1 4Å; Y411-L415 HydrophobicContact CD1-CD1 4.17Å; Y411-L415 HydrophobicContact CD2-CG 4.27Å; Y411-L415 HydrophobicContact CE1-CD1 3.62Å; Y411-L415 HydrophobicContact CE1-CG 4.34Å; Y411-L415 HydrophobicContact CE2-CD1 4.03Å; Y411-L415 HydrophobicContact CE2-CD2 3.89Å; Y411-L415 HydrophobicContact CE2-CG 3.92Å; Y411-L415 WeakPolarHBondContact O-CG 3.37Å; Y411-L415 PolarHBondContact O-N 3.25Å; S412-L415 PolarHBondContact O-N 2.93Å; W413-L415 VanDerWaalsContact C-N 3.33Å; L415-Y434 HydrophobicContact CD2-CD2 4.49Å; L415-Y434 HydrophobicContact CD2-CE2 4.09Å; L415-A437 HydrophobicContact CD2-CB 4.07Å; L415-T438 HydrophobicContact CD2-CG2 4.2Å; L415-F651 HydrophobicContact CB-CE2 4.29Å; L415-F651 HydrophobicContact CB-CZ 4.36Å; L415-F651 HydrophobicContact CD1-CE2 4.22Å; L415-F651 HydrophobicContact CD2-CE2 3.8Å; L415-F651 HydrophobicContact CD2-CZ 4.23Å; L415-F651 HydrophobicContact CG-CE2 4.32Å
416	V	92.1	Very high	91.9	Very high	58 Å²	58	51.2 Å²	51.2	35%	0.352	26%	0.256	S	S	.	.	H	α-helix	trans	-92.6	-11.6	179.3	-52.7	0	0	0	0	114	V304 Q312 S412 W413 K414 P418	V304-V416 HydrophobicContact CB-CG2 4.32Å; V304-V416 HydrophobicContact CG1-CG1 4.11Å; V304-V416 HydrophobicContact CG1-CG2 3.77Å; V304-V416 HydrophobicContact CG2-CG2 3.63Å; Q312-V416 HydrophobicContact CB-CG1 3.57Å; Q312-V416 HydrophobicContact CG-CG1 3.98Å; S412-V416 PolarHBondContact O-N 2.89Å; W413-V416 PolarHBondContact O-N 3.47Å; K414-V416 PolarHBondContact O-N 3.31Å; V416-P418 VanDerWaalsContact O-CD 3.3Å; V416-P418 WeakPolarHBondContact O-CD 3.42Å
417	H	90.6	Very high	91.9	Very high	66 Å²	66	50.7 Å²	50.7	31%	0.306	25%	0.254	S	S	.	.	S	Bend	trans	-116.9	67.6	172.1	-56.8	98	0	0	0	110.4	W413 K414 N441	W413-H417 AromaticContact CD1-CE1 3.62Å; W413-H417 AromaticContact CD1-ND1 3.62Å; W413-H417 HydrophobicContact CD2-CB 4.5Å; W413-H417 AromaticContact CD2-ND1 3.42Å; W413-H417 AromaticContact CE2-CE1 3.55Å; W413-H417 AromaticContact CE2-CG 3.91Å; W413-H417 AromaticContact CE2-ND1 3.25Å; W413-H417 VanDerWaalsContact CE2-ND1 3.25Å; W413-H417 HydrophobicContact CE3-CB 4.25Å; W413-H417 AromaticContact CG-ND1 3.67Å; W413-H417 HydrophobicContact CH2-CB 4.1Å; W413-H417 HydrophobicContact CZ2-CB 4.35Å; W413-H417 AromaticContact CZ2-CG 3.91Å; W413-H417 AromaticContact CZ2-ND1 3.73Å; W413-H417 HydrophobicContact CZ3-CB 4.04Å; W413-H417 AromaticContact NE1-CE1 3.25Å; W413-H417 PolarHBondContact NE1-CE1 2.96Å; W413-H417 AromaticContact NE1-ND1 3.4Å; W413-H417 PolarHBondContact NE1-ND1 2.6Å; W413-H417 WeakPolarHBondContact O-CB 3.25Å; W413-H417 PolarHBondContact O-N 3.2Å; W413-H417 PolarHBondContact O-ND1 3.09Å; K414-H417 CarbonylContact O-C 3.19Å; K414-H417 PolarHBondContact O-N 2.71Å; H417-N441 PolarHBondContact O-ND2 3.02Å
418	P	92.1	Very high	91.8	Very high	32 Å²	32	53 Å²	53	21%	0.208	27%	0.269	C	S	.	.			trans	-63.5	136.9	176.8	28.3	-35.5	0	0	0	110.4	V416 E433 R436 A437	V416-P418 VanDerWaalsContact O-CD 3.3Å; V416-P418 WeakPolarHBondContact O-CD 3.42Å; P418-E433 HydrophobicContact CG-CG 4.23Å; P418-R436 WeakPolarHBondContact CA-O 3.3Å; P418-R436 HydrophobicContact CB-CB 3.88Å; P418-A437 HydrophobicContact CB-CB 4.1Å
419	T	92.1	Very high	91.6	Very high	12 Å²	12	55.7 Å²	55.7	7%	0.074	30%	0.301	C	S	.	.			trans	-65.7	169.3	-178.6	-161.2	0	0	0	0	112.2	C423 N424 C427 R436 Y440	T419-C423 WeakPolarHBondContact OG1-CB 3.37Å; T419-N424 HydrophobicContact CG2-CB 4.22Å; T419-C427 HydrophobicContact CG2-CB 4.09Å; T419-R436 PolarHBondContact N-O 3.38Å; T419-R436 WeakPolarHBondContact O-CB 3.18Å; T419-R436 WeakPolarHBondContact O-CD 3.41Å; T419-R436 PolarHBondContact O-NH1 3.35Å; T419-Y440 WeakPolarHBondContact CG2-O 3.46Å
420	D	90.4	Very high	91.6	Very high	59 Å²	59	62.1 Å²	62.1	32%	0.316	34%	0.34	S	S	.	.			trans	-139	-179.7	170.9	67.8	22.7	0	0	0	110.8	F422 C423 N424	D420-F422 PolarHBondContact O-N 3.32Å; D420-F422 WeakPolarHBondContact OD1-CA 3.42Å; D420-F422 VanDerWaalsContact OD1-CB 3.3Å; D420-F422 WeakPolarHBondContact OD1-CB 3.45Å; D420-F422 PolarHBondContact OD1-N 2.7Å; D420-C423 PolarHBondContact O-N 2.95Å; D420-C423 PolarHBondContact OD1-N 3.3Å; D420-N424 PolarHBondContact O-N 3.11Å; D420-N424 VanDerWaalsContact O-O 3.13Å
421	K	90.1	Very high	91.5	Very high	122 Å²	122	62.7 Å²	62.7	53%	0.53	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-14.6	178	67.1	-177.1	-179.4	-178.8	0	115.1	N424	K421-N424 WeakPolarHBondContact CA-O 3.4Å
422	F	89.6	Confident	91.5	Very high	163 Å²	163	64.1 Å²	64.1	72%	0.715	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-38.8	178.8	-55.3	-74.5	0	0	0	110.5	D420	D420-F422 PolarHBondContact O-N 3.32Å; D420-F422 WeakPolarHBondContact OD1-CA 3.42Å; D420-F422 VanDerWaalsContact OD1-CB 3.3Å; D420-F422 WeakPolarHBondContact OD1-CB 3.45Å; D420-F422 PolarHBondContact OD1-N 2.7Å
423	C	87.7	Confident	91.6	Very high	107 Å²	107	68.8 Å²	68.8	72%	0.723	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-41.6	175.1	-65	0	0	0	0	112.7	T419 D420	T419-C423 WeakPolarHBondContact OG1-CB 3.37Å; D420-C423 PolarHBondContact O-N 2.95Å; D420-C423 PolarHBondContact OD1-N 3.3Å
424	N	89.6	Confident	91.7	Very high	42 Å²	42	67.5 Å²	67.5	23%	0.225	37%	0.368	C	S	.	.			trans	-127.9	114.9	175.5	-176.7	-7	0	0	0	110.6	T419 D420 K421 D426 C427 Y440	T419-N424 HydrophobicContact CG2-CB 4.22Å; D420-N424 PolarHBondContact O-N 3.11Å; D420-N424 VanDerWaalsContact O-O 3.13Å; K421-N424 WeakPolarHBondContact CA-O 3.4Å; N424-D426 PolarHBondContact O-N 2.77Å; N424-D426 PolarHBondContact OD1-N 3.42Å; N424-C427 HydrophobicContact CB-CB 4.16Å; N424-C427 VanDerWaalsContact O-CB 3.29Å; N424-C427 WeakPolarHBondContact O-CB 3.4Å; N424-C427 PolarHBondContact O-N 2.91Å; N424-C427 VanDerWaalsContact O-N 3.12Å; N424-Y440 PolarHBondContact ND2-O 3.29Å
425	K	90.3	Very high	91.8	Very high	195 Å²	195	67.5 Å²	67.5	85%	0.848	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-26	-178.9	-64.9	179.7	-177.6	174.1	0	113.7	C427	K425-C427 VanDerWaalsContact C-N 3.31Å
426	D	91.2	Very high	91.9	Very high	129 Å²	129	70 Å²	70	69%	0.69	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-7.9	-179.4	-57.7	-34.6	0	0	0	112.3	N424 P428 Y440	N424-D426 PolarHBondContact O-N 2.77Å; N424-D426 PolarHBondContact OD1-N 3.42Å; D426-P428 VanDerWaalsContact O-CD 3.27Å; D426-P428 WeakPolarHBondContact O-CD 3.3Å; D426-Y440 WeakPolarHBondContact O-CE1 3.43Å
427	C	91.7	Very high	92	Very high	4 Å²	4	67.2 Å²	67.2	3%	0.027	36%	0.361	C	S	.	.	S	Bend	trans	-78.2	114.6	177.1	-179.4	0	0	0	0	111.1	T419 N424 K425 Y440	T419-C427 HydrophobicContact CG2-CB 4.09Å; N424-C427 HydrophobicContact CB-CB 4.16Å; N424-C427 VanDerWaalsContact O-CB 3.29Å; N424-C427 WeakPolarHBondContact O-CB 3.4Å; N424-C427 PolarHBondContact O-N 2.91Å; N424-C427 VanDerWaalsContact O-N 3.12Å; K425-C427 VanDerWaalsContact C-N 3.31Å; C427-Y440 HydrophobicContact CB-CD1 4.42Å; C427-Y440 HydrophobicContact CB-CG 4.14Å
428	P	92.8	Very high	92.3	Very high	48 Å²	48	64.1 Å²	64.1	31%	0.312	35%	0.347	S	S	.	.			trans	-63.6	141.3	175.8	-20	33	0	0	0	111.6	D426 T430 A431 Y440	D426-P428 VanDerWaalsContact O-CD 3.27Å; D426-P428 WeakPolarHBondContact O-CD 3.3Å; P428-T430 PolarHBondContact O-N 3.32Å; P428-A431 HydrophobicContact CB-CB 4.4Å; P428-A431 WeakPolarHBondContact O-CB 3.36Å; P428-A431 PolarHBondContact O-N 2.92Å; P428-A431 VanDerWaalsContact O-N 3.09Å; P428-Y440 VanDerWaalsContact CD-CZ 3.43Å; P428-Y440 HydrophobicContact CG-CE2 4.48Å
429	G	89.7	Confident	92.4	Very high	71 Å²	71	67.1 Å²	67.1	73%	0.732	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-8	172.6	0	0	0	0	0	114.5
430	T	92.1	Very high	92.5	Very high	137 Å²	137	68.4 Å²	68.4	84%	0.84	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-2.7	176.9	53.6	0	0	0	0	113.7	P428	P428-T430 PolarHBondContact O-N 3.32Å
431	A	92.2	Very high	92.7	Very high	12 Å²	12	66.3 Å²	66.3	10%	0.099	35%	0.347	C	S	.	.			trans	-65.6	136.6	-178.4	0	0	0	0	0	111.3	P428 R436 Y440	P428-A431 HydrophobicContact CB-CB 4.4Å; P428-A431 WeakPolarHBondContact O-CB 3.36Å; P428-A431 PolarHBondContact O-N 2.92Å; P428-A431 VanDerWaalsContact O-N 3.09Å; A431-R436 HydrophobicContact CB-CG 3.67Å; A431-R436 WeakPolarHBondContact O-CD 3.47Å; A431-R436 PolarHBondContact O-NE 3.28Å; A431-Y440 HydrophobicContact CB-CD2 4.3Å; A431-Y440 HydrophobicContact CB-CE2 4.02Å
432	E	93.9	Very high	92.9	Very high	34 Å²	34	60.9 Å²	60.9	16%	0.159	32%	0.323	C	S	.	.			trans	-72.3	157.7	-179.7	71.3	-162.3	95.2	0	0	111.6	Y434 E435 R436 R659 F662 M666	E432-Y434 VanDerWaalsContact C-N 3.31Å; E432-Y434 PolarHBondContact O-N 3.02Å; E432-E435 HydrophobicContact CG-CB 4.16Å; E432-E435 WeakPolarHBondContact O-CB 3.48Å; E432-E435 PolarHBondContact O-N 3.45Å; E432-R436 WeakPolarHBondContact O-CG 3.39Å; E432-R436 PolarHBondContact O-N 2.99Å; E432-R659 IonicContact OE1-CZ 2.89Å; E432-R659 VanDerWaalsContact OE1-CZ 3.28Å; E432-R659 IonicContact OE1-NE 3.49Å; E432-R659 PolarHBondContact OE1-NE 2.98Å; E432-R659 VanDerWaalsContact OE1-NE 3.15Å; E432-R659 IonicContact OE1-NH2 3.89Å; E432-R659 PolarHBondContact OE1-NH2 3.38Å; E432-R659 IonicContact OE2-CZ 3.71Å; E432-R659 IonicContact OE2-NE 3.42Å; E432-R659 PolarHBondContact OE2-NE 3.21Å; E432-R659 VanDerWaalsContact OE2-NE 3.11Å; E432-F662 WeakPolarHBondContact OE2-CE1 3.42Å; E432-M666 HydrophobicContact CG-CE 4.21Å; E432-M666 HydrophobicContact CG-SD 4.28Å
433	E	94.3	Very high	93	Very high	100 Å²	100	57 Å²	57	47%	0.467	31%	0.312	S	S	.	.	H	α-helix	trans	-58.4	-40	-168	-173.9	162.7	-144.1	0	0	113.5	P418 R436 A437 F651	P418-E433 HydrophobicContact CG-CG 4.23Å; E433-R436 CarbonylContact O-C 3.58Å; E433-R436 PolarHBondContact O-N 3.24Å; E433-A437 VanDerWaalsContact O-CB 3.3Å; E433-A437 WeakPolarHBondContact O-CB 3.25Å; E433-A437 PolarHBondContact O-N 2.75Å; E433-F651 HydrophobicContact CG-CE1 4.33Å
434	Y	96	Very high	93.4	Very high	3 Å²	3	54 Å²	54	1%	0.012	29%	0.293	C	S	.	.	H	α-helix	trans	-67	-37.6	176.3	-169.8	-115.3	0	0	0	112.8	L415 E432 R436 A437 T438 R648 F651 F662 M666	L415-Y434 HydrophobicContact CD2-CD2 4.49Å; L415-Y434 HydrophobicContact CD2-CE2 4.09Å; E432-Y434 VanDerWaalsContact C-N 3.31Å; E432-Y434 PolarHBondContact O-N 3.02Å; Y434-R436 VanDerWaalsContact C-N 3.31Å; Y434-R436 PolarHBondContact O-N 3.48Å; Y434-A437 WeakPolarHBondContact O-CB 3.48Å; Y434-A437 PolarHBondContact O-N 3.26Å; Y434-A437 VanDerWaalsContact O-N 3.12Å; Y434-T438 HydrophobicContact CD2-CG2 4.21Å; Y434-T438 HydrophobicContact CE1-CG2 4.15Å; Y434-T438 HydrophobicContact CE2-CG2 3.7Å; Y434-T438 PolarHBondContact O-N 2.76Å; Y434-T438 PolarHBondContact O-OG1 2.87Å; Y434-T438 VanDerWaalsContact O-OG1 3.11Å; Y434-R648 HydrophobicContact CE1-CB 4.31Å; Y434-R648 HydrophobicContact CE2-CB 4.18Å; Y434-R648 WeakPolarHBondContact OH-CD 3.41Å; Y434-F651 HydrophobicContact CD2-CB 3.74Å; Y434-F651 AromaticContact CD2-CD1 3.87Å; Y434-F651 HydrophobicContact CD2-CD1 3.87Å; Y434-F651 AromaticContact CD2-CD2 3.43Å; Y434-F651 HydrophobicContact CD2-CD2 3.43Å; Y434-F651 VanDerWaalsContact CD2-CD2 3.43Å; Y434-F651 HydrophobicContact CD2-CE1 4.34Å; Y434-F651 AromaticContact CD2-CE2 3.98Å; Y434-F651 HydrophobicContact CD2-CE2 3.98Å; Y434-F651 AromaticContact CD2-CG 3.38Å; Y434-F651 HydrophobicContact CD2-CG 3.38Å; Y434-F651 HydrophobicContact CD2-CZ 4.39Å; Y434-F651 HydrophobicContact CE2-CB 4.39Å; Y434-F651 AromaticContact CE2-CD2 3.74Å; Y434-F651 HydrophobicContact CE2-CD2 3.74Å; Y434-F651 HydrophobicContact CE2-CE2 4.27Å; Y434-F651 HydrophobicContact CE2-CG 4.11Å; Y434-F651 HydrophobicContact CG-CB 4.08Å; Y434-F651 HydrophobicContact CG-CD1 4.39Å; Y434-F651 HydrophobicContact CG-CG 4.09Å; Y434-F662 HydrophobicContact CD1-CB 4.16Å; Y434-F662 AromaticContact CD1-CD1 3.86Å; Y434-F662 HydrophobicContact CD1-CD1 3.86Å; Y434-F662 AromaticContact CD1-CD2 3.61Å; Y434-F662 HydrophobicContact CD1-CD2 3.61Å; Y434-F662 HydrophobicContact CD1-CE1 4.11Å; Y434-F662 AromaticContact CD1-CE2 3.84Å; Y434-F662 HydrophobicContact CD1-CE2 3.84Å; Y434-F662 AromaticContact CD1-CG 3.61Å; Y434-F662 HydrophobicContact CD1-CG 3.61Å; Y434-F662 HydrophobicContact CD1-CZ 4.09Å; Y434-F662 HydrophobicContact CE1-CB 4.29Å; Y434-F662 AromaticContact CE1-CD2 3.9Å; Y434-F662 HydrophobicContact CE1-CD2 3.9Å; Y434-F662 HydrophobicContact CE1-CE2 4.4Å; Y434-F662 HydrophobicContact CE1-CG 4.09Å; Y434-F662 HydrophobicContact CG-CD1 4.47Å; Y434-F662 HydrophobicContact CG-CD2 4.25Å; Y434-F662 HydrophobicContact CG-CE1 4.26Å; Y434-F662 HydrophobicContact CG-CE2 4Å; Y434-F662 HydrophobicContact CG-CG 4.47Å; Y434-F662 HydrophobicContact CG-CZ 4.02Å; Y434-M666 HydrophobicContact CD1-CB 3.94Å; Y434-M666 HydrophobicContact CD1-SD 4.48Å; Y434-M666 HydrophobicContact CE1-CB 4.01Å; Y434-M666 WeakPolarHBondContact CE1-O 3.35Å
435	E	96	Very high	93.5	Very high	20 Å²	20	57.8 Å²	57.8	9%	0.093	31%	0.309	C	S	.	.	H	α-helix	trans	-66	-35.5	175.5	-166.1	179.8	-156.7	0	0	112	E432 A437 R439 Y440 M666	E432-E435 HydrophobicContact CG-CB 4.16Å; E432-E435 WeakPolarHBondContact O-CB 3.48Å; E432-E435 PolarHBondContact O-N 3.45Å; E435-A437 VanDerWaalsContact C-N 3.34Å; E435-R439 HydrophobicContact CG-CB 3.89Å; E435-R439 WeakPolarHBondContact O-CB 3.49Å; E435-R439 PolarHBondContact O-N 3.05Å; E435-R439 VanDerWaalsContact O-N 3.13Å; E435-R439 VanDerWaalsContact OE1-CD 3.32Å; E435-R439 WeakPolarHBondContact OE1-CD 3.45Å; E435-R439 IonicContact OE1-CZ 3.19Å; E435-R439 IonicContact OE1-NE 2.67Å; E435-R439 IonicContact OE1-NH1 3.62Å; E435-R439 PolarHBondContact OE1-NH1 3.08Å; E435-Y440 VanDerWaalsContact CD-CE2 3.43Å; E435-Y440 HydrophobicContact CG-CD2 3.82Å; E435-Y440 HydrophobicContact CG-CE2 3.58Å; E435-Y440 PolarHBondContact O-N 3.18Å; E435-Y440 VanDerWaalsContact O-N 3.14Å; E435-M666 HydrophobicContact CB-CE 3.78Å; E435-M666 HydrophobicContact CB-CG 4.15Å; E435-M666 HydrophobicContact CB-SD 3.81Å; E435-M666 HydrophobicContact CG-CE 3.86Å; E435-M666 HydrophobicContact CG-CG 4.06Å; E435-M666 HydrophobicContact CG-SD 4.24Å
436	R	95.3	Very high	93.7	Very high	56 Å²	56	49.7 Å²	49.7	21%	0.211	27%	0.274	C	S	.	.	H	α-helix	trans	-73.6	-24.7	172.5	-63.5	-170.8	-59.9	99.5	3.4	113.1	P418 T419 A431 E432 E433 Y434 N441	P418-R436 WeakPolarHBondContact CA-O 3.3Å; P418-R436 HydrophobicContact CB-CB 3.88Å; T419-R436 PolarHBondContact N-O 3.38Å; T419-R436 WeakPolarHBondContact O-CB 3.18Å; T419-R436 WeakPolarHBondContact O-CD 3.41Å; T419-R436 PolarHBondContact O-NH1 3.35Å; A431-R436 HydrophobicContact CB-CG 3.67Å; A431-R436 WeakPolarHBondContact O-CD 3.47Å; A431-R436 PolarHBondContact O-NE 3.28Å; E432-R436 WeakPolarHBondContact O-CG 3.39Å; E432-R436 PolarHBondContact O-N 2.99Å; E433-R436 CarbonylContact O-C 3.58Å; E433-R436 PolarHBondContact O-N 3.24Å; Y434-R436 VanDerWaalsContact C-N 3.31Å; Y434-R436 PolarHBondContact O-N 3.48Å; R436-N441 WeakPolarHBondContact O-CB 3.48Å
437	A	94.6	Very high	93.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-80.1	-36.7	175.5	0	0	0	0	0	112.6	L415 P418 E433 Y434 E435 N441 F651	L415-A437 HydrophobicContact CD2-CB 4.07Å; P418-A437 HydrophobicContact CB-CB 4.1Å; E433-A437 VanDerWaalsContact O-CB 3.3Å; E433-A437 WeakPolarHBondContact O-CB 3.25Å; E433-A437 PolarHBondContact O-N 2.75Å; Y434-A437 WeakPolarHBondContact O-CB 3.48Å; Y434-A437 PolarHBondContact O-N 3.26Å; Y434-A437 VanDerWaalsContact O-N 3.12Å; E435-A437 VanDerWaalsContact C-N 3.34Å; A437-N441 VanDerWaalsContact O-CB 3.23Å; A437-N441 WeakPolarHBondContact O-CB 3.38Å; A437-N441 PolarHBondContact O-ND2 2.69Å; A437-F651 HydrophobicContact CB-CZ 4.48Å
438	T	96.4	Very high	94.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-91.3	178.6	65.7	0	0	0	0	111.7	L415 Y434 Y440 N441 Y442 M666 M668	L415-T438 HydrophobicContact CD2-CG2 4.2Å; Y434-T438 HydrophobicContact CD2-CG2 4.21Å; Y434-T438 HydrophobicContact CE1-CG2 4.15Å; Y434-T438 HydrophobicContact CE2-CG2 3.7Å; Y434-T438 PolarHBondContact O-N 2.76Å; Y434-T438 PolarHBondContact O-OG1 2.87Å; Y434-T438 VanDerWaalsContact O-OG1 3.11Å; T438-Y440 PolarHBondContact O-N 3.2Å; T438-Y440 VanDerWaalsContact O-N 3.1Å; T438-N441 PolarHBondContact O-N 2.72Å; T438-Y442 VanDerWaalsContact O-CD2 3.22Å; T438-Y442 WeakPolarHBondContact O-CD2 3.36Å; T438-M666 PolarHBondContact OG1-O 2.54Å; T438-M668 HydrophobicContact CG2-CG 4.21Å; T438-M668 HydrophobicContact CG2-SD 3.93Å
439	R	94.8	Very high	94.2	Very high	95 Å²	95	43.9 Å²	43.9	36%	0.358	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-42.3	-51.4	-168	-172.4	-173.6	-177	179.6	7.1	115.1	E435 E665 I671	E435-R439 HydrophobicContact CG-CB 3.89Å; E435-R439 WeakPolarHBondContact O-CB 3.49Å; E435-R439 PolarHBondContact O-N 3.05Å; E435-R439 VanDerWaalsContact O-N 3.13Å; E435-R439 VanDerWaalsContact OE1-CD 3.32Å; E435-R439 WeakPolarHBondContact OE1-CD 3.45Å; E435-R439 IonicContact OE1-CZ 3.19Å; E435-R439 IonicContact OE1-NE 2.67Å; E435-R439 IonicContact OE1-NH1 3.62Å; E435-R439 PolarHBondContact OE1-NH1 3.08Å; R439-E665 WeakPolarHBondContact CB-O 3.22Å; R439-E665 WeakPolarHBondContact CD-O 3.45Å; R439-E665 WeakPolarHBondContact CG-O 3.25Å; R439-I671 HydrophobicContact CB-CD1 4.26Å
440	Y	94.3	Very high	94.4	Very high	39 Å²	39	40.5 Å²	40.5	15%	0.153	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-7.2	-175.5	-64.4	-67.2	0	0	0	114	T419 N424 D426 C427 P428 A431 E435 T438	T419-Y440 WeakPolarHBondContact CG2-O 3.46Å; N424-Y440 PolarHBondContact ND2-O 3.29Å; D426-Y440 WeakPolarHBondContact O-CE1 3.43Å; C427-Y440 HydrophobicContact CB-CD1 4.42Å; C427-Y440 HydrophobicContact CB-CG 4.14Å; P428-Y440 VanDerWaalsContact CD-CZ 3.43Å; P428-Y440 HydrophobicContact CG-CE2 4.48Å; A431-Y440 HydrophobicContact CB-CD2 4.3Å; A431-Y440 HydrophobicContact CB-CE2 4.02Å; E435-Y440 VanDerWaalsContact CD-CE2 3.43Å; E435-Y440 HydrophobicContact CG-CD2 3.82Å; E435-Y440 HydrophobicContact CG-CE2 3.58Å; E435-Y440 PolarHBondContact O-N 3.18Å; E435-Y440 VanDerWaalsContact O-N 3.14Å; T438-Y440 PolarHBondContact O-N 3.2Å; T438-Y440 VanDerWaalsContact O-N 3.1Å
441	N	94.2	Very high	94.5	Very high	16 Å²	16	34 Å²	34	9%	0.086	16%	0.164	C	C	.	.	S	Bend	trans	-90.5	-3.8	-172.6	-142.4	-4	0	0	0	114.1	K414 H417 R436 A437 T438	K414-N441 HydrophobicContact CD-CB 4.14Å; K414-N441 WeakPolarHBondContact CD-O 3.46Å; K414-N441 WeakPolarHBondContact CE-O 3.13Å; K414-N441 PolarHBondContact NZ-O 3.18Å; K414-N441 PolarHBondContact O-ND2 2.8Å; H417-N441 PolarHBondContact O-ND2 3.02Å; R436-N441 WeakPolarHBondContact O-CB 3.48Å; A437-N441 VanDerWaalsContact O-CB 3.23Å; A437-N441 WeakPolarHBondContact O-CB 3.38Å; A437-N441 PolarHBondContact O-ND2 2.69Å; T438-N441 PolarHBondContact O-N 2.72Å
442	Y	93.9	Very high	94.5	Very high	8 Å²	8	34.1 Å²	34.1	3%	0.031	16%	0.162	C	C	.	.			trans	-121.1	126.1	177.6	-55.7	-92.5	0	0	0	111.2	K414 T438 E446 K447 F450 M668	K414-Y442 WeakPolarHBondContact CB-OH 3.42Å; K414-Y442 HydrophobicContact CD-CE1 4.35Å; K414-Y442 HydrophobicContact CG-CE1 3.92Å; T438-Y442 VanDerWaalsContact O-CD2 3.22Å; T438-Y442 WeakPolarHBondContact O-CD2 3.36Å; Y442-E446 HydrophobicContact CD1-CB 4.32Å; Y442-K447 WeakPolarHBondContact O-CE 3.38Å; Y442-F450 HydrophobicContact CD1-CD2 4.45Å; Y442-F450 HydrophobicContact CD1-CE2 4.17Å; Y442-F450 HydrophobicContact CE1-CD2 4.37Å; Y442-F450 HydrophobicContact CE1-CE1 4.48Å; Y442-F450 AromaticContact CE1-CE2 3.73Å; Y442-F450 HydrophobicContact CE1-CE2 3.73Å; Y442-F450 AromaticContact CE1-CZ 3.79Å; Y442-F450 HydrophobicContact CE1-CZ 3.79Å; Y442-M668 HydrophobicContact CD2-CE 4.21Å; Y442-M668 HydrophobicContact CD2-SD 4.4Å; Y442-M668 HydrophobicContact CE1-CE 4.33Å; Y442-M668 HydrophobicContact CE2-CE 3.59Å; Y442-M668 HydrophobicContact CE2-SD 3.71Å
443	T	93.1	Very high	94.6	Very high	80 Å²	80	32.5 Å²	32.5	49%	0.491	16%	0.155	S	C	.	.			trans	-66.7	172.3	168.3	58.9	0	0	0	0	111.8	E446 K447	T443-E446 WeakPolarHBondContact CB-OE2 3.43Å; T443-E446 WeakPolarHBondContact CG2-OE2 3.26Å; T443-E446 PolarHBondContact N-OE2 3.07Å; T443-E446 WeakPolarHBondContact OG1-CB 3.18Å; T443-E446 VanDerWaalsContact OG1-CG 3.25Å; T443-E446 WeakPolarHBondContact OG1-CG 3.48Å; T443-E446 PolarHBondContact OG1-N 3.47Å; T443-E446 PolarHBondContact OG1-OE2 3.39Å; T443-K447 VanDerWaalsContact O-CE 3.24Å; T443-K447 WeakPolarHBondContact O-CE 3.44Å; T443-K447 WeakPolarHBondContact O-CG 3.48Å; T443-K447 PolarHBondContact O-N 2.76Å; T443-K447 VanDerWaalsContact O-N 3.11Å
444	S	94.2	Very high	94.6	Very high	45 Å²	45	27.7 Å²	27.7	32%	0.315	13%	0.133	S	C	.	.	H	α-helix	trans	-59.1	-47.7	174.7	-172.1	0	0	0	0	111.8	K447 F448 H675	S444-K447 PolarHBondContact O-N 3.47Å; S444-F448 WeakPolarHBondContact O-CD2 3.44Å; S444-F448 WeakPolarHBondContact O-CG 3.49Å; S444-F448 PolarHBondContact O-N 3.43Å; S444-F448 VanDerWaalsContact OG-CE2 3.27Å; S444-F448 WeakPolarHBondContact OG-CE2 3.34Å; S444-H675 PolarHBondContact OG-CE1 2.93Å; S444-H675 VanDerWaalsContact OG-CE1 3.28Å; S444-H675 PolarHBondContact OG-NE2 3.23Å
445	E	93.5	Very high	94.4	Very high	122 Å²	122	27.8 Å²	27.8	57%	0.57	13%	0.134	S	C	*	.	H	α-helix	trans	-65.1	-42	-179.2	-56.2	-49	115	0	0	112.1	K447 F448 A449	E445-K447 VanDerWaalsContact C-N 3.32Å; E445-K447 PolarHBondContact O-N 3Å; E445-F448 PolarHBondContact O-N 3.37Å; E445-A449 VanDerWaalsContact O-CB 3.26Å; E445-A449 WeakPolarHBondContact O-CB 3.47Å; E445-A449 PolarHBondContact O-N 3.31Å
446	E	94.1	Very high	94.3	Very high	25 Å²	25	27 Å²	27	12%	0.117	13%	0.13	C	C	.	.	H	α-helix	trans	-61.8	-39.9	174.9	-73.7	168.8	117.3	0	0	111.9	I345 K414 Y442 T443 F450	I345-E446 HydrophobicContact CG2-CB 4.31Å; I345-E446 HydrophobicContact CG2-CG 4.07Å; K414-E446 WeakPolarHBondContact CE-OE1 3.18Å; K414-E446 IonicContact NZ-OE1 2.64Å; K414-E446 PolarHBondContact NZ-OE1 3.31Å; K414-E446 IonicContact NZ-OE2 2.82Å; Y442-E446 HydrophobicContact CD1-CB 4.32Å; T443-E446 WeakPolarHBondContact CB-OE2 3.43Å; T443-E446 WeakPolarHBondContact CG2-OE2 3.26Å; T443-E446 PolarHBondContact N-OE2 3.07Å; T443-E446 WeakPolarHBondContact OG1-CB 3.18Å; T443-E446 VanDerWaalsContact OG1-CG 3.25Å; T443-E446 WeakPolarHBondContact OG1-CG 3.48Å; T443-E446 PolarHBondContact OG1-N 3.47Å; T443-E446 PolarHBondContact OG1-OE2 3.39Å; E446-F450 WeakPolarHBondContact O-CB 3.19Å; E446-F450 WeakPolarHBondContact O-CD2 3.27Å; E446-F450 PolarHBondContact O-N 3.05Å
447	K	95.3	Very high	94.3	Very high	34 Å²	34	24.4 Å²	24.4	15%	0.148	12%	0.12	C	C	.	.	H	α-helix	trans	-64.8	-45.1	176.7	-76.9	-179.4	-80	172.2	0	111.8	Y442 T443 S444 E445 F450 V451 I671 L672 H675	Y442-K447 WeakPolarHBondContact O-CE 3.38Å; T443-K447 VanDerWaalsContact O-CE 3.24Å; T443-K447 WeakPolarHBondContact O-CE 3.44Å; T443-K447 WeakPolarHBondContact O-CG 3.48Å; T443-K447 PolarHBondContact O-N 2.76Å; T443-K447 VanDerWaalsContact O-N 3.11Å; S444-K447 PolarHBondContact O-N 3.47Å; E445-K447 VanDerWaalsContact C-N 3.32Å; E445-K447 PolarHBondContact O-N 3Å; K447-F450 WeakPolarHBondContact O-CB 3.42Å; K447-F450 PolarHBondContact O-N 3.4Å; K447-V451 WeakPolarHBondContact O-CG2 3.4Å; K447-V451 PolarHBondContact O-N 3.35Å; K447-V451 VanDerWaalsContact O-N 3.09Å; K447-I671 HydrophobicContact CD-CG2 3.81Å; K447-L672 HydrophobicContact CB-CD2 4.1Å; K447-L672 HydrophobicContact CG-CD2 4.08Å; K447-H675 HydrophobicContact CD-CB 4.17Å; K447-H675 PolarHBondContact NZ-CE1 3.4Å; K447-H675 PolarHBondContact NZ-ND1 2.71Å
448	F	95.5	Very high	94.1	Very high	18 Å²	18	24.6 Å²	24.6	8%	0.079	12%	0.121	C	C	.	.	H	α-helix	trans	-64	-44.8	176.1	-66.3	-39.7	0	0	0	112.2	S444 E445 F450 V451 E452 H675 I676 T679 E681 M684	S444-F448 WeakPolarHBondContact O-CD2 3.44Å; S444-F448 WeakPolarHBondContact O-CG 3.49Å; S444-F448 PolarHBondContact O-N 3.43Å; S444-F448 VanDerWaalsContact OG-CE2 3.27Å; S444-F448 WeakPolarHBondContact OG-CE2 3.34Å; E445-F448 PolarHBondContact O-N 3.37Å; F448-F450 VanDerWaalsContact C-N 3.33Å; F448-F450 PolarHBondContact O-N 2.85Å; F448-V451 PolarHBondContact O-N 3.42Å; F448-E452 PolarHBondContact O-N 2.96Å; F448-H675 AromaticContact CD1-CD2 3.73Å; F448-H675 AromaticContact CE1-CD2 3.33Å; F448-H675 WeakPolarHBondContact CE1-CD2 3.23Å; F448-H675 AromaticContact CE1-NE2 3.51Å; F448-H675 AromaticContact CE2-NE2 3.76Å; F448-H675 AromaticContact CZ-CD2 3.72Å; F448-H675 AromaticContact CZ-NE2 3.37Å; F448-H675 WeakPolarHBondContact CZ-NE2 3.4Å; F448-I676 HydrophobicContact CD1-CG1 4.33Å; F448-I676 HydrophobicContact CE1-CG1 4.14Å; F448-T679 HydrophobicContact CZ-CG2 4.07Å; F448-E681 HydrophobicContact CE1-CB 4.01Å; F448-E681 HydrophobicContact CE1-CG 4.24Å; F448-E681 HydrophobicContact CE2-CB 4.5Å; F448-E681 HydrophobicContact CE2-CG 4.23Å; F448-E681 HydrophobicContact CZ-CB 3.71Å; F448-E681 HydrophobicContact CZ-CG 3.88Å; F448-M684 HydrophobicContact CB-CE 4.01Å; F448-M684 HydrophobicContact CB-CG 4.22Å; F448-M684 HydrophobicContact CB-SD 3.94Å; F448-M684 HydrophobicContact CD1-CB 4.14Å; F448-M684 HydrophobicContact CD1-CG 3.52Å; F448-M684 HydrophobicContact CD1-SD 4.12Å; F448-M684 HydrophobicContact CE1-CB 4.22Å; F448-M684 HydrophobicContact CE1-CG 3.95Å; F448-M684 HydrophobicContact CG-CG 3.94Å; F448-M684 HydrophobicContact CG-SD 4.31Å
449	A	94.2	Very high	93.8	Very high	6 Å²	6	25.3 Å²	25.3	5%	0.05	13%	0.128	C	C	.	.	H	α-helix	trans	-57.6	-44.2	174.3	0	0	0	0	0	111.9	I345 M349 E445 V451 E452 V453	I345-A449 HydrophobicContact CD1-CB 4.16Å; I345-A449 HydrophobicContact CG1-CB 4.07Å; I345-A449 HydrophobicContact CG2-CB 3.95Å; M349-A449 HydrophobicContact CG-CB 3.75Å; M349-A449 HydrophobicContact SD-CB 3.75Å; E445-A449 VanDerWaalsContact O-CB 3.26Å; E445-A449 WeakPolarHBondContact O-CB 3.47Å; E445-A449 PolarHBondContact O-N 3.31Å; A449-V451 PolarHBondContact O-N 3Å; A449-E452 PolarHBondContact O-N 3.03Å; A449-V453 WeakPolarHBondContact O-CG2 3.3Å; A449-V453 PolarHBondContact O-N 3.19Å
450	F	93.8	Very high	93.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-55.8	-51	173.5	-103.2	-106.7	0	0	0	111.9	I345 V407 V410 Y442 E446 K447 F448 E452 V453 I454 L672	I345-F450 HydrophobicContact CD1-CD2 3.49Å; I345-F450 VanDerWaalsContact CD1-CD2 3.49Å; I345-F450 HydrophobicContact CD1-CE2 3.82Å; I345-F450 HydrophobicContact CD1-CG 4.18Å; I345-F450 HydrophobicContact CG2-CD2 4.41Å; V407-F450 HydrophobicContact CG1-CD1 3.81Å; V407-F450 HydrophobicContact CG1-CE1 3.59Å; V407-F450 HydrophobicContact CG1-CZ 4.49Å; V410-F450 HydrophobicContact CB-CE2 4.03Å; V410-F450 HydrophobicContact CB-CZ 3.86Å; V410-F450 HydrophobicContact CG1-CE2 3.64Å; V410-F450 HydrophobicContact CG1-CZ 3.82Å; Y442-F450 HydrophobicContact CD1-CD2 4.45Å; Y442-F450 HydrophobicContact CD1-CE2 4.17Å; Y442-F450 HydrophobicContact CE1-CD2 4.37Å; Y442-F450 HydrophobicContact CE1-CE1 4.48Å; Y442-F450 AromaticContact CE1-CE2 3.73Å; Y442-F450 HydrophobicContact CE1-CE2 3.73Å; Y442-F450 AromaticContact CE1-CZ 3.79Å; Y442-F450 HydrophobicContact CE1-CZ 3.79Å; E446-F450 WeakPolarHBondContact O-CB 3.19Å; E446-F450 WeakPolarHBondContact O-CD2 3.27Å; E446-F450 PolarHBondContact O-N 3.05Å; K447-F450 WeakPolarHBondContact O-CB 3.42Å; K447-F450 PolarHBondContact O-N 3.4Å; F448-F450 VanDerWaalsContact C-N 3.33Å; F448-F450 PolarHBondContact O-N 2.85Å; F450-E452 VanDerWaalsContact C-N 3.32Å; F450-E452 PolarHBondContact O-N 3.46Å; F450-V453 PolarHBondContact O-N 3.26Å; F450-I454 HydrophobicContact CD1-CD1 4.45Å; F450-I454 WeakPolarHBondContact O-CB 3.35Å; F450-I454 VanDerWaalsContact O-CD1 3.29Å; F450-I454 WeakPolarHBondContact O-CD1 3.39Å; F450-I454 WeakPolarHBondContact O-CG1 3.39Å; F450-I454 PolarHBondContact O-N 2.86Å; F450-L672 HydrophobicContact CB-CD1 4.41Å; F450-L672 HydrophobicContact CB-CD2 3.84Å; F450-L672 HydrophobicContact CD1-CD1 4.49Å
451	V	94.6	Very high	93.4	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.9	-42.9	-179.5	175	0	0	0	0	111.6	K447 F448 A449 I454 A455 L672 I676 P691	K447-V451 WeakPolarHBondContact O-CG2 3.4Å; K447-V451 PolarHBondContact O-N 3.35Å; K447-V451 VanDerWaalsContact O-N 3.09Å; F448-V451 PolarHBondContact O-N 3.42Å; A449-V451 PolarHBondContact O-N 3Å; V451-I454 PolarHBondContact O-N 3.46Å; V451-A455 WeakPolarHBondContact O-CB 3.34Å; V451-A455 PolarHBondContact O-N 2.83Å; V451-L672 HydrophobicContact CG2-CB 3.84Å; V451-L672 HydrophobicContact CG2-CD2 4.12Å; V451-L672 HydrophobicContact CG2-CG 4.4Å; V451-I676 HydrophobicContact CB-CD1 4.21Å; V451-I676 HydrophobicContact CG1-CD1 3.74Å; V451-I676 HydrophobicContact CG2-CD1 3.97Å; V451-P691 HydrophobicContact CB-CG 4.07Å; V451-P691 HydrophobicContact CG1-CG 3.51Å; V451-P691 HydrophobicContact CG2-CG 3.55Å
452	E	93.7	Very high	92.9	Very high	15 Å²	15	20.8 Å²	20.8	7%	0.07	11%	0.113	C	C	.	.	H	α-helix	trans	-64.5	-41.6	-179.6	-156.7	-167.3	142.2	0	0	111.6	M349 R353 F448 A449 F450 A455 M456 M684	M349-E452 HydrophobicContact CE-CB 3.79Å; M349-E452 VanDerWaalsContact CE-CD 3.45Å; M349-E452 HydrophobicContact CE-CG 4.04Å; M349-E452 WeakPolarHBondContact CE-OE2 3.34Å; R353-E452 WeakPolarHBondContact CG-OE1 3.45Å; R353-E452 IonicContact CZ-OE1 3.48Å; R353-E452 IonicContact CZ-OE2 3.63Å; R353-E452 IonicContact NE-OE1 2.74Å; R353-E452 PolarHBondContact NE-OE1 3Å; R353-E452 IonicContact NE-OE2 3.85Å; R353-E452 PolarHBondContact NE-OE2 3.36Å; R353-E452 IonicContact NH2-OE1 3.31Å; R353-E452 IonicContact NH2-OE2 3.67Å; R353-E452 PolarHBondContact NH2-OE2 2.98Å; F448-E452 PolarHBondContact O-N 2.96Å; A449-E452 PolarHBondContact O-N 3.03Å; F450-E452 VanDerWaalsContact C-N 3.32Å; F450-E452 PolarHBondContact O-N 3.46Å; E452-A455 PolarHBondContact O-N 3.11Å; E452-M456 HydrophobicContact CB-CE 4.41Å; E452-M456 HydrophobicContact CG-CE 4Å; E452-M456 WeakPolarHBondContact O-CE 3.45Å; E452-M456 WeakPolarHBondContact O-CG 3.44Å; E452-M456 PolarHBondContact O-N 2.63Å; E452-M684 HydrophobicContact CB-CE 4.48Å
453	V	95	Very high	92.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.6	-42.8	174	-176.9	0	0	0	0	111.6	I345 M349 I352 W403 V407 A449 F450 A455 M456 I457	I345-V453 HydrophobicContact CD1-CG2 4.23Å; M349-V453 HydrophobicContact CE-CG2 3.91Å; M349-V453 HydrophobicContact SD-CG2 3.44Å; M349-V453 WeakPolarHBondContact SD-CG2 3.37Å; I352-V453 HydrophobicContact CD1-CG2 3.96Å; I352-V453 HydrophobicContact CG2-CG2 4.29Å; W403-V453 HydrophobicContact CB-CG1 3.95Å; V407-V453 HydrophobicContact CG2-CB 4Å; V407-V453 HydrophobicContact CG2-CG1 3.47Å; V407-V453 VanDerWaalsContact CG2-CG1 3.47Å; A449-V453 WeakPolarHBondContact O-CG2 3.3Å; A449-V453 PolarHBondContact O-N 3.19Å; F450-V453 PolarHBondContact O-N 3.26Å; V453-A455 VanDerWaalsContact C-N 3.27Å; V453-A455 PolarHBondContact O-N 2.8Å; V453-M456 HydrophobicContact CG2-CE 4.25Å; V453-M456 PolarHBondContact O-N 3.48Å; V453-I457 HydrophobicContact CG1-CD1 3.89Å; V453-I457 HydrophobicContact CG1-CG1 4.42Å; V453-I457 WeakPolarHBondContact O-CD1 3.26Å; V453-I457 VanDerWaalsContact O-CG1 3.26Å; V453-I457 WeakPolarHBondContact O-CG1 3.42Å; V453-I457 PolarHBondContact O-N 3.34Å
454	I	94.7	Very high	92.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.3	-41.1	175.9	-68	159.5	0	0	0	110.8	V407 F450 V451 I457 K458 L642 L672 L694	V407-I454 HydrophobicContact CG1-CG1 4.37Å; F450-I454 HydrophobicContact CD1-CD1 4.45Å; F450-I454 WeakPolarHBondContact O-CB 3.35Å; F450-I454 VanDerWaalsContact O-CD1 3.29Å; F450-I454 WeakPolarHBondContact O-CD1 3.39Å; F450-I454 WeakPolarHBondContact O-CG1 3.39Å; F450-I454 PolarHBondContact O-N 2.86Å; V451-I454 PolarHBondContact O-N 3.46Å; I454-I457 PolarHBondContact O-N 3.39Å; I454-K458 HydrophobicContact CG2-CD 4.07Å; I454-K458 WeakPolarHBondContact O-CB 3.21Å; I454-K458 WeakPolarHBondContact O-CG 3.45Å; I454-K458 PolarHBondContact O-N 3.37Å; I454-L642 HydrophobicContact CB-CD1 4.44Å; I454-L642 HydrophobicContact CG1-CD1 4.12Å; I454-L642 HydrophobicContact CG2-CD1 4.07Å; I454-L672 HydrophobicContact CD1-CD1 3.65Å; I454-L694 HydrophobicContact CD1-CD1 4.17Å; I454-L694 HydrophobicContact CG2-CD2 4.01Å; I454-L694 HydrophobicContact CG2-CG 4.44Å
455	A	92.4	Very high	91.6	Very high	4 Å²	4	18.2 Å²	18.2	3%	0.033	10%	0.099	C	C	.	.	H	α-helix	trans	-68.7	-41.3	176.5	0	0	0	0	0	113.2	V451 E452 V453 I457 K458 G459 Y687 Y690	V451-A455 WeakPolarHBondContact O-CB 3.34Å; V451-A455 PolarHBondContact O-N 2.83Å; E452-A455 PolarHBondContact O-N 3.11Å; V453-A455 VanDerWaalsContact C-N 3.27Å; V453-A455 PolarHBondContact O-N 2.8Å; A455-I457 VanDerWaalsContact C-N 3.33Å; A455-I457 PolarHBondContact O-N 2.97Å; A455-K458 PolarHBondContact O-N 3.27Å; A455-G459 WeakPolarHBondContact O-CA 3.5Å; A455-G459 PolarHBondContact O-N 3.02Å; A455-Y687 HydrophobicContact CB-CD1 3.28Å; A455-Y687 HydrophobicContact CB-CE1 3.79Å; A455-Y687 HydrophobicContact CB-CG 4.22Å; A455-Y690 HydrophobicContact CB-CD1 4.42Å; A455-Y690 HydrophobicContact CB-CD2 3.32Å; A455-Y690 HydrophobicContact CB-CE2 3.8Å; A455-Y690 HydrophobicContact CB-CG 3.69Å
456	M	93.2	Very high	90.8	Very high	5 Å²	5	18.7 Å²	18.7	3%	0.025	10%	0.096	C	C	.	.	H	α-helix	trans	-62.3	-40	174	-73.2	-173.2	-80.7	0	0	111.4	M349 I352 R353 H356 W403 E452 V453 L460	M349-M456 HydrophobicContact CE-CE 3.75Å; I352-M456 HydrophobicContact CG2-CE 3.4Å; I352-M456 VanDerWaalsContact CG2-CE 3.4Å; I352-M456 HydrophobicContact CG2-SD 3.96Å; R353-M456 HydrophobicContact CG-CE 4.41Å; R353-M456 HydrophobicContact CG-SD 4.5Å; H356-M456 HydrophobicContact CB-CG 4.41Å; H356-M456 HydrophobicContact CB-SD 3.66Å; H356-M456 VanDerWaalsContact CD2-CG 3.45Å; H356-M456 WeakPolarHBondContact CD2-CG 3.36Å; W403-M456 HydrophobicContact CE3-CB 4.24Å; W403-M456 HydrophobicContact CH2-CB 4.44Å; W403-M456 HydrophobicContact CZ3-CB 3.99Å; E452-M456 HydrophobicContact CB-CE 4.41Å; E452-M456 HydrophobicContact CG-CE 4Å; E452-M456 WeakPolarHBondContact O-CE 3.45Å; E452-M456 WeakPolarHBondContact O-CG 3.44Å; E452-M456 PolarHBondContact O-N 2.63Å; V453-M456 HydrophobicContact CG2-CE 4.25Å; V453-M456 PolarHBondContact O-N 3.48Å; M456-L460 WeakPolarHBondContact O-CB 3.36Å; M456-L460 PolarHBondContact O-N 3.02Å
457	I	94.3	Very high	90.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.5	-58.7	172.7	-67.7	159	0	0	0	110.4	L400 W403 V407 V453 I454 A455 G459 L460 Q461 C640 L642	L400-I457 HydrophobicContact CD2-CB 4.45Å; L400-I457 HydrophobicContact CD2-CG2 4.21Å; L400-I457 VanDerWaalsContact CD2-O 3.3Å; L400-I457 WeakPolarHBondContact CD2-O 3.32Å; W403-I457 HydrophobicContact CB-CD1 3.88Å; W403-I457 HydrophobicContact CB-CG1 3.61Å; W403-I457 HydrophobicContact CE3-CG1 4.04Å; V407-I457 HydrophobicContact CG2-CD1 4.08Å; V453-I457 HydrophobicContact CG1-CD1 3.89Å; V453-I457 HydrophobicContact CG1-CG1 4.42Å; V453-I457 WeakPolarHBondContact O-CD1 3.26Å; V453-I457 VanDerWaalsContact O-CG1 3.26Å; V453-I457 WeakPolarHBondContact O-CG1 3.42Å; V453-I457 PolarHBondContact O-N 3.34Å; I454-I457 PolarHBondContact O-N 3.39Å; A455-I457 VanDerWaalsContact C-N 3.33Å; A455-I457 PolarHBondContact O-N 2.97Å; I457-G459 PolarHBondContact O-N 2.88Å; I457-L460 PolarHBondContact O-N 3.5Å; I457-Q461 VanDerWaalsContact O-CB 3.28Å; I457-Q461 WeakPolarHBondContact O-CB 3.44Å; I457-Q461 PolarHBondContact O-N 3.06Å; I457-C640 HydrophobicContact CG2-CB 3.87Å; I457-L642 HydrophobicContact CD1-CD1 4.18Å; I457-L642 HydrophobicContact CD1-CD2 4.32Å; I457-L642 HydrophobicContact CG2-CD1 4.35Å
458	K	91.5	Very high	89.5	Confident	5 Å²	5	19.4 Å²	19.4	2%	0.022	10%	0.1	C	C	.	.	H	α-helix	trans	-67.2	-38	-174.2	-73.2	178.2	171.5	-65.9	0	112.8	I454 A455 Q461 V462 Y690 D693 D697	I454-K458 HydrophobicContact CG2-CD 4.07Å; I454-K458 WeakPolarHBondContact O-CB 3.21Å; I454-K458 WeakPolarHBondContact O-CG 3.45Å; I454-K458 PolarHBondContact O-N 3.37Å; A455-K458 PolarHBondContact O-N 3.27Å; K458-Q461 WeakPolarHBondContact O-CB 3.49Å; K458-Q461 PolarHBondContact O-N 3.35Å; K458-V462 WeakPolarHBondContact O-CG2 3.24Å; K458-V462 PolarHBondContact O-N 3.02Å; K458-Y690 HydrophobicContact CB-CD1 3.74Å; K458-Y690 HydrophobicContact CB-CE1 4.24Å; K458-Y690 HydrophobicContact CD-CD1 4.33Å; K458-D693 HydrophobicContact CD-CB 4.02Å; K458-D693 VanDerWaalsContact CD-OD2 3.29Å; K458-D693 WeakPolarHBondContact CD-OD2 3.28Å; K458-D693 VanDerWaalsContact CE-OD2 3.27Å; K458-D693 WeakPolarHBondContact CE-OD2 3.47Å; K458-D693 IonicContact NZ-OD2 2.89Å; K458-D693 PolarHBondContact NZ-OD2 3.2Å; K458-D697 WeakPolarHBondContact CE-OD2 3.33Å; K458-D697 IonicContact NZ-OD1 3.96Å; K458-D697 PolarHBondContact NZ-OD1 3.32Å; K458-D697 IonicContact NZ-OD2 2.77Å; K458-D697 PolarHBondContact NZ-OD2 3.46Å
459	G	88.8	Confident	88.5	Confident	14 Å²	14	23.1 Å²	23.1	14%	0.144	13%	0.128	C	C	.	.	H	α-helix	trans	-63	-46.9	174.2	0	0	0	0	0	112.3	A455 I457 V462 L463	A455-G459 WeakPolarHBondContact O-CA 3.5Å; A455-G459 PolarHBondContact O-N 3.02Å; I457-G459 PolarHBondContact O-N 2.88Å; G459-V462 PolarHBondContact O-N 2.68Å; G459-L463 PolarHBondContact O-N 3.39Å
460	L	90.7	Very high	88	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-69.1	-34.6	176	178.7	58.7	0	0	0	112.1	F359 I360 L363 L399 L400 W403 M456 I457 V462 L463 M464	F359-L460 HydrophobicContact CD1-CD1 3.78Å; F359-L460 HydrophobicContact CD1-CD2 3.95Å; F359-L460 HydrophobicContact CE1-CD1 3.81Å; F359-L460 HydrophobicContact CE1-CD2 4.28Å; I360-L460 HydrophobicContact CD1-CD1 4.44Å; I360-L460 HydrophobicContact CG1-CD1 4.02Å; L363-L460 HydrophobicContact CD2-CD1 3.92Å; L399-L460 HydrophobicContact CD2-CD2 4.23Å; L400-L460 HydrophobicContact CD1-CD2 4.46Å; L400-L460 HydrophobicContact CD1-CG 4.26Å; L400-L460 HydrophobicContact CD2-CB 3.85Å; L400-L460 HydrophobicContact CD2-CD2 3.86Å; L400-L460 HydrophobicContact CD2-CG 3.87Å; L400-L460 HydrophobicContact CG-CD2 3.87Å; L400-L460 HydrophobicContact CG-CG 4.1Å; W403-L460 HydrophobicContact CH2-CD2 3.85Å; W403-L460 HydrophobicContact CZ3-CB 4.21Å; W403-L460 HydrophobicContact CZ3-CD2 3.59Å; M456-L460 WeakPolarHBondContact O-CB 3.36Å; M456-L460 PolarHBondContact O-N 3.02Å; I457-L460 PolarHBondContact O-N 3.5Å; L460-V462 VanDerWaalsContact C-N 3.31Å; L460-V462 PolarHBondContact O-N 2.72Å; L460-L463 PolarHBondContact O-N 3.34Å; L460-M464 HydrophobicContact CD1-CG 3.98Å; L460-M464 HydrophobicContact CG-CG 4.16Å; L460-M464 WeakPolarHBondContact O-CB 3.3Å; L460-M464 VanDerWaalsContact O-CG 3.24Å; L460-M464 WeakPolarHBondContact O-CG 3.2Å; L460-M464 PolarHBondContact O-N 2.9Å
461	Q	91.4	Very high	87.7	Confident	43 Å²	43	24.3 Å²	24.3	20%	0.201	13%	0.134	C	C	.	.	H	α-helix	trans	-57.2	-43	172.8	-174	-174.8	9.1	0	0	111.8	I457 K458 G465 L636 C640	I457-Q461 VanDerWaalsContact O-CB 3.28Å; I457-Q461 WeakPolarHBondContact O-CB 3.44Å; I457-Q461 PolarHBondContact O-N 3.06Å; K458-Q461 WeakPolarHBondContact O-CB 3.49Å; K458-Q461 PolarHBondContact O-N 3.35Å; Q461-G465 PolarHBondContact O-N 3.38Å; Q461-L636 HydrophobicContact CG-CD1 4.28Å; Q461-L636 HydrophobicContact CG-CD2 4.4Å; Q461-L636 HydrophobicContact CG-CG 4.13Å; Q461-C640 HydrophobicContact CG-CB 4.18Å
462	V	83.5	Confident	87.1	Confident	12 Å²	12	25.1 Å²	25.1	7%	0.073	14%	0.139	C	C	.	.	H	α-helix	trans	-61.3	-46.8	174.3	169.4	0	0	0	0	111.5	E30 P32 K458 G459 L460 G465 R466	E30-V462 WeakPolarHBondContact O-CG1 3.18Å; P32-V462 HydrophobicContact CG-CG2 4.37Å; K458-V462 WeakPolarHBondContact O-CG2 3.24Å; K458-V462 PolarHBondContact O-N 3.02Å; G459-V462 PolarHBondContact O-N 2.68Å; L460-V462 VanDerWaalsContact C-N 3.31Å; L460-V462 PolarHBondContact O-N 2.72Å; V462-G465 PolarHBondContact O-N 3.08Å; V462-R466 WeakPolarHBondContact O-CG 3.36Å; V462-R466 PolarHBondContact O-N 3Å
463	L	83.7	Confident	86.5	Confident	50 Å²	50	28 Å²	28	26%	0.262	15%	0.152	S	C	.	.	H	α-helix	trans	-64	-43.3	179.8	-64.4	175.9	0	0	0	112	I360 L363 G459 L460 R466 M467	I360-L463 HydrophobicContact CD1-CD1 3.88Å; I360-L463 HydrophobicContact CG1-CD1 4.08Å; I360-L463 HydrophobicContact CG2-CD1 4.02Å; L363-L463 HydrophobicContact CD2-CB 3.84Å; G459-L463 PolarHBondContact O-N 3.39Å; L460-L463 PolarHBondContact O-N 3.34Å; L463-R466 PolarHBondContact O-N 2.9Å; L463-M467 PolarHBondContact O-N 3.26Å; L463-M467 VanDerWaalsContact O-N 3.13Å
464	M	87.2	Confident	86.1	Confident	2 Å²	2	28 Å²	28	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-63.2	-41.1	176	-69.1	-71.3	-68.6	0	0	111.8	F359 L363 L397 L400 L460 M467 E468 F471 L636	F359-M464 HydrophobicContact CE1-SD 4.08Å; F359-M464 HydrophobicContact CZ-SD 4.3Å; L363-M464 HydrophobicContact CD2-SD 4.22Å; L397-M464 HydrophobicContact CG-CE 4.36Å; L400-M464 HydrophobicContact CD1-CG 4.14Å; L460-M464 HydrophobicContact CD1-CG 3.98Å; L460-M464 HydrophobicContact CG-CG 4.16Å; L460-M464 WeakPolarHBondContact O-CB 3.3Å; L460-M464 VanDerWaalsContact O-CG 3.24Å; L460-M464 WeakPolarHBondContact O-CG 3.2Å; L460-M464 PolarHBondContact O-N 2.9Å; M464-M467 CarbonylContact O-C 3.36Å; M464-M467 PolarHBondContact O-N 2.69Å; M464-E468 PolarHBondContact O-N 3.07Å; M464-E468 VanDerWaalsContact O-N 3.15Å; M464-F471 HydrophobicContact CE-CE2 3.82Å; M464-F471 HydrophobicContact CE-CZ 4.25Å; M464-F471 HydrophobicContact SD-CE2 3.68Å; M464-F471 HydrophobicContact SD-CZ 3.91Å; M464-L636 HydrophobicContact CB-CD1 3.79Å; M464-L636 HydrophobicContact CB-CD2 3.99Å; M464-L636 HydrophobicContact CG-CD1 4.36Å
465	G	81.6	Confident	85.8	Confident	27 Å²	27	28 Å²	28	28%	0.278	15%	0.153	S	C	.	.	H	α-helix	trans	-65.5	-39.1	175.1	0	0	0	0	0	113.2	Q461 V462 M467 E468	Q461-G465 PolarHBondContact O-N 3.38Å; V462-G465 PolarHBondContact O-N 3.08Å; G465-M467 VanDerWaalsContact C-N 3.26Å; G465-M467 PolarHBondContact O-N 3.45Å; G465-E468 WeakPolarHBondContact O-CB 3.42Å; G465-E468 PolarHBondContact O-N 3.37Å; G465-E468 VanDerWaalsContact O-N 3.14Å
466	R	76.6	Confident	85.4	Confident	133 Å²	133	31.8 Å²	31.8	50%	0.502	17%	0.166	S	C	.	.	H	α-helix	trans	-63.2	-33.1	173.7	-72.2	173.4	-174.2	-166	1.5	112.3	C28 E30 V462 L463 E468	C28-R466 PolarHBondContact SG-NH1 2.92Å; E30-R466 IonicContact OE2-NH2 3.09Å; V462-R466 WeakPolarHBondContact O-CG 3.36Å; V462-R466 PolarHBondContact O-N 3Å; L463-R466 PolarHBondContact O-N 2.9Å; R466-E468 VanDerWaalsContact C-N 3.35Å
467	M	82.1	Confident	85.1	Confident	14 Å²	14	32.3 Å²	32.3	7%	0.069	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-1.2	176.4	-70.6	-92.6	75.4	0	0	114	L363 E370 L463 M464 G465 S469 V470 F471	L363-M467 HydrophobicContact CD1-CG 4.15Å; E370-M467 HydrophobicContact CG-CE 4.35Å; L463-M467 PolarHBondContact O-N 3.26Å; L463-M467 VanDerWaalsContact O-N 3.13Å; M464-M467 CarbonylContact O-C 3.36Å; M464-M467 PolarHBondContact O-N 2.69Å; G465-M467 VanDerWaalsContact C-N 3.26Å; G465-M467 PolarHBondContact O-N 3.45Å; M467-S469 VanDerWaalsContact C-N 3.26Å; M467-S469 PolarHBondContact O-N 3.48Å; M467-S469 VanDerWaalsContact O-N 3.11Å; M467-V470 HydrophobicContact CE-CB 4.11Å; M467-V470 HydrophobicContact CE-CG2 3.74Å; M467-V470 PolarHBondContact O-N 2.82Å; M467-F471 HydrophobicContact CB-CD2 3.69Å; M467-F471 HydrophobicContact CB-CE2 3.4Å; M467-F471 HydrophobicContact CB-CG 4.42Å; M467-F471 HydrophobicContact CB-CZ 3.9Å; M467-F471 HydrophobicContact CG-CE2 4.44Å; M467-F471 WeakPolarHBondContact O-CD2 3.23Å; M467-F471 PolarHBondContact O-N 3.05Å
468	E	81.9	Confident	84.9	Confident	59 Å²	59	32.7 Å²	32.7	28%	0.276	17%	0.171	S	C	.	.	H	α-helix	trans	-53	-39.3	-173.4	174.9	173.8	176.4	0	0	113.4	M464 G465 R466 N472 I632 S633	M464-E468 PolarHBondContact O-N 3.07Å; M464-E468 VanDerWaalsContact O-N 3.15Å; G465-E468 WeakPolarHBondContact O-CB 3.42Å; G465-E468 PolarHBondContact O-N 3.37Å; G465-E468 VanDerWaalsContact O-N 3.14Å; R466-E468 VanDerWaalsContact C-N 3.35Å; E468-N472 WeakPolarHBondContact CG-ND2 3.12Å; E468-N472 WeakPolarHBondContact O-CB 3.48Å; E468-N472 PolarHBondContact O-N 3.19Å; E468-N472 PolarHBondContact O-ND2 3.49Å; E468-N472 PolarHBondContact OE1-ND2 3.47Å; E468-I632 HydrophobicContact CG-CG2 4.17Å; E468-S633 VanDerWaalsContact OE1-CB 3.23Å; E468-S633 WeakPolarHBondContact OE1-CB 3.47Å; E468-S633 PolarHBondContact OE1-OG 3.08Å
469	S	73.9	Confident	84.8	Confident	97 Å²	97	32.5 Å²	32.5	68%	0.678	17%	0.171	S	C	*	.	H	α-helix	trans	-64	-45.7	179.4	-171.8	0	0	0	0	112.1	M467 N472 Q473	M467-S469 VanDerWaalsContact C-N 3.26Å; M467-S469 PolarHBondContact O-N 3.48Å; M467-S469 VanDerWaalsContact O-N 3.11Å; S469-N472 PolarHBondContact O-N 3.31Å; S469-Q473 PolarHBondContact O-N 2.89Å; S469-Q473 VanDerWaalsContact O-N 3.11Å
470	V	83.2	Confident	84.8	Confident	30 Å²	30	32 Å²	32	18%	0.182	16%	0.164	C	C	.	.	H	α-helix	trans	-67.4	-45.1	179.1	177.2	0	0	0	0	110.3	E370 L389 M467 Q473 A474	E370-V470 HydrophobicContact CG-CG1 4.12Å; E370-V470 HydrophobicContact CG-CG2 4.16Å; L389-V470 HydrophobicContact CD1-CG1 3.91Å; L389-V470 HydrophobicContact CD2-CG1 4.34Å; M467-V470 HydrophobicContact CE-CB 4.11Å; M467-V470 HydrophobicContact CE-CG2 3.74Å; M467-V470 PolarHBondContact O-N 2.82Å; V470-Q473 PolarHBondContact O-N 3.36Å; V470-A474 WeakPolarHBondContact O-CB 3.15Å; V470-A474 PolarHBondContact O-N 3.4Å
471	F	87.3	Confident	84.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.4	-47.9	174.4	-69.5	-39.9	0	0	0	111.9	L363 L392 A393 M464 M467 Q473 A474 I475 I632	L363-F471 HydrophobicContact CD1-CZ 3.73Å; L392-F471 HydrophobicContact CD2-CE1 4.19Å; L392-F471 HydrophobicContact CD2-CZ 4.46Å; L392-F471 HydrophobicContact CG-CE1 4.43Å; A393-F471 HydrophobicContact CB-CB 4.36Å; A393-F471 HydrophobicContact CB-CD1 3.67Å; A393-F471 HydrophobicContact CB-CD2 4.42Å; A393-F471 HydrophobicContact CB-CE1 3.93Å; A393-F471 HydrophobicContact CB-CG 3.93Å; A393-F471 HydrophobicContact CB-CZ 4.41Å; M464-F471 HydrophobicContact CE-CE2 3.82Å; M464-F471 HydrophobicContact CE-CZ 4.25Å; M464-F471 HydrophobicContact SD-CE2 3.68Å; M464-F471 HydrophobicContact SD-CZ 3.91Å; M467-F471 HydrophobicContact CB-CD2 3.69Å; M467-F471 HydrophobicContact CB-CE2 3.4Å; M467-F471 HydrophobicContact CB-CG 4.42Å; M467-F471 HydrophobicContact CB-CZ 3.9Å; M467-F471 HydrophobicContact CG-CE2 4.44Å; M467-F471 WeakPolarHBondContact O-CD2 3.23Å; M467-F471 PolarHBondContact O-N 3.05Å; F471-Q473 PolarHBondContact O-N 3.12Å; F471-A474 PolarHBondContact O-N 3Å; F471-I475 HydrophobicContact CB-CD1 4.04Å; F471-I475 WeakPolarHBondContact O-CB 3.28Å; F471-I475 WeakPolarHBondContact O-CD1 3.35Å; F471-I475 WeakPolarHBondContact O-CG1 3.43Å; F471-I475 PolarHBondContact O-N 3.4Å; F471-I632 HydrophobicContact CB-CD1 3.73Å; F471-I632 HydrophobicContact CD2-CD1 3.83Å; F471-I632 HydrophobicContact CG-CD1 4.05Å
472	N	81.6	Confident	84.7	Confident	17 Å²	17	31.4 Å²	31.4	9%	0.091	17%	0.167	C	C	.	.	H	α-helix	trans	-56.2	-39.4	177.6	-94.1	-57.2	0	0	0	112.5	E468 S469 R476	E468-N472 WeakPolarHBondContact CG-ND2 3.12Å; E468-N472 WeakPolarHBondContact O-CB 3.48Å; E468-N472 PolarHBondContact O-N 3.19Å; E468-N472 PolarHBondContact O-ND2 3.49Å; E468-N472 PolarHBondContact OE1-ND2 3.47Å; S469-N472 PolarHBondContact O-N 3.31Å; N472-R476 VanDerWaalsContact CG-NH2 3.28Å; N472-R476 WeakPolarHBondContact O-CB 3.26Å; N472-R476 VanDerWaalsContact O-CD 3.25Å; N472-R476 WeakPolarHBondContact O-CD 3.18Å; N472-R476 WeakPolarHBondContact O-CG 3.32Å; N472-R476 PolarHBondContact O-N 3.36Å; N472-R476 PolarHBondContact OD1-NH2 3.32Å
473	Q	81.1	Confident	84.9	Confident	75 Å²	75	31 Å²	31	35%	0.35	16%	0.164	S	C	.	.	H	α-helix	trans	-67.3	-50.8	175.2	-179.2	66.1	3.8	0	0	111.6	Y386 S469 V470 F471 I475 R476 N477	Y386-Q473 HydrophobicContact CE1-CG 4.22Å; S469-Q473 PolarHBondContact O-N 2.89Å; S469-Q473 VanDerWaalsContact O-N 3.11Å; V470-Q473 PolarHBondContact O-N 3.36Å; F471-Q473 PolarHBondContact O-N 3.12Å; Q473-I475 PolarHBondContact O-N 2.87Å; Q473-R476 PolarHBondContact O-N 2.78Å; Q473-N477 PolarHBondContact NE2-ND2 3.33Å; Q473-N477 PolarHBondContact O-N 2.97Å; Q473-N477 VanDerWaalsContact O-N 3.15Å; Q473-N477 PolarHBondContact O-ND2 2.94Å
474	A	87.3	Confident	85.2	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.008	15%	0.153	C	C	.	.	H	α-helix	trans	-63	-42.2	-179	0	0	0	0	0	112.9	Y386 L389 V470 F471 N477 T478	Y386-A474 HydrophobicContact CD1-CB 3.84Å; L389-A474 HydrophobicContact CB-CB 3.49Å; L389-A474 VanDerWaalsContact CB-CB 3.49Å; L389-A474 HydrophobicContact CD1-CB 4.09Å; L389-A474 HydrophobicContact CG-CB 4.45Å; V470-A474 WeakPolarHBondContact O-CB 3.15Å; V470-A474 PolarHBondContact O-N 3.4Å; F471-A474 PolarHBondContact O-N 3Å; A474-N477 PolarHBondContact O-N 3.19Å; A474-T478 VanDerWaalsContact O-CB 3.31Å; A474-T478 WeakPolarHBondContact O-CB 3.29Å; A474-T478 PolarHBondContact O-N 3.39Å; A474-T478 PolarHBondContact O-OG1 3.09Å
475	I	88.2	Confident	85.4	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-62.3	-45.4	178.5	-71.5	164	0	0	0	110.9	F390 A393 F471 Q473 T478 I479 L629 L630 I632	F390-I475 HydrophobicContact CD2-CB 4.4Å; F390-I475 HydrophobicContact CD2-CG1 4.08Å; F390-I475 HydrophobicContact CD2-CG2 4.41Å; A393-I475 HydrophobicContact CB-CD1 3.99Å; F471-I475 HydrophobicContact CB-CD1 4.04Å; F471-I475 WeakPolarHBondContact O-CB 3.28Å; F471-I475 WeakPolarHBondContact O-CD1 3.35Å; F471-I475 WeakPolarHBondContact O-CG1 3.43Å; F471-I475 PolarHBondContact O-N 3.4Å; Q473-I475 PolarHBondContact O-N 2.87Å; I475-T478 PolarHBondContact O-N 3.25Å; I475-I479 HydrophobicContact CG2-CD1 3.55Å; I475-I479 HydrophobicContact CG2-CG1 4.36Å; I475-I479 VanDerWaalsContact O-CB 3.32Å; I475-I479 WeakPolarHBondContact O-CB 3.38Å; I475-I479 VanDerWaalsContact O-CG1 3.27Å; I475-I479 WeakPolarHBondContact O-CG1 3.44Å; I475-I479 PolarHBondContact O-N 2.88Å; I475-L629 HydrophobicContact CD1-CB 4.08Å; I475-L629 HydrophobicContact CD1-CD2 4.11Å; I475-L629 HydrophobicContact CG1-CB 4.35Å; I475-L629 HydrophobicContact CG2-CB 3.78Å; I475-L630 HydrophobicContact CG2-CD2 4.35Å; I475-I632 HydrophobicContact CD1-CB 4.45Å; I475-I632 HydrophobicContact CD1-CD1 3.91Å
476	R	84.3	Confident	85.9	Confident	83 Å²	83	30.3 Å²	30.3	31%	0.313	15%	0.154	S	C	.	.	H	α-helix	trans	-65.1	-44.3	179.6	-71.8	169.3	-164.1	143.7	7.4	112	N472 Q473 Y480 L630	N472-R476 VanDerWaalsContact CG-NH2 3.28Å; N472-R476 WeakPolarHBondContact O-CB 3.26Å; N472-R476 VanDerWaalsContact O-CD 3.25Å; N472-R476 WeakPolarHBondContact O-CD 3.18Å; N472-R476 WeakPolarHBondContact O-CG 3.32Å; N472-R476 PolarHBondContact O-N 3.36Å; N472-R476 PolarHBondContact OD1-NH2 3.32Å; Q473-R476 PolarHBondContact O-N 2.78Å; R476-Y480 WeakPolarHBondContact O-CB 3.18Å; R476-Y480 PolarHBondContact O-N 3.35Å; R476-L630 HydrophobicContact CG-CD2 4.15Å
477	N	87.1	Confident	86.5	Confident	15 Å²	15	24 Å²	24	8%	0.08	13%	0.13	C	C	.	.	H	α-helix	trans	-62.1	-49.1	175.2	-74.8	-72.3	0	0	0	111.3	Y386 Q473 A474 I479 Y480 A481 R549 A550	Y386-N477 HydrophobicContact CD2-CB 3.81Å; Y386-N477 HydrophobicContact CE2-CB 4.15Å; Y386-N477 HydrophobicContact CG-CB 4.03Å; Q473-N477 PolarHBondContact NE2-ND2 3.33Å; Q473-N477 PolarHBondContact O-N 2.97Å; Q473-N477 VanDerWaalsContact O-N 3.15Å; Q473-N477 PolarHBondContact O-ND2 2.94Å; A474-N477 PolarHBondContact O-N 3.19Å; N477-I479 PolarHBondContact O-N 2.82Å; N477-Y480 PolarHBondContact O-N 3.15Å; N477-A481 VanDerWaalsContact O-CB 3.27Å; N477-A481 WeakPolarHBondContact O-CB 3.41Å; N477-A481 PolarHBondContact O-N 3.34Å; N477-R549 PolarHBondContact OD1-O 2.71Å; N477-A550 WeakPolarHBondContact ND2-CB 3.38Å; N477-A550 VanDerWaalsContact OD1-CA 3.25Å; N477-A550 WeakPolarHBondContact OD1-CA 3.45Å; N477-A550 PolarHBondContact OD1-N 3.44Å; N477-A550 VanDerWaalsContact OD1-N 3.14Å
478	T	90.8	Very high	86.9	Confident	9 Å²	9	23.4 Å²	23.4	6%	0.055	13%	0.127	C	C	.	.	H	α-helix	trans	-62	-45.7	-178.5	-58.6	0	0	0	0	112.7	Y386 R387 F390 A474 I475 A481 A482	Y386-T478 VanDerWaalsContact C-OG1 3.29Å; Y386-T478 PolarHBondContact O-OG1 2.97Å; Y386-T478 VanDerWaalsContact O-OG1 3.06Å; R387-T478 VanDerWaalsContact CD-CG2 3.47Å; F390-T478 HydrophobicContact CB-CG2 3.91Å; F390-T478 HydrophobicContact CD1-CG2 4.05Å; F390-T478 HydrophobicContact CD2-CG2 3.83Å; F390-T478 HydrophobicContact CE2-CG2 4.36Å; F390-T478 HydrophobicContact CG-CG2 3.67Å; A474-T478 VanDerWaalsContact O-CB 3.31Å; A474-T478 WeakPolarHBondContact O-CB 3.29Å; A474-T478 PolarHBondContact O-N 3.39Å; A474-T478 PolarHBondContact O-OG1 3.09Å; I475-T478 PolarHBondContact O-N 3.25Å; T478-A481 PolarHBondContact O-N 3.49Å; T478-A482 WeakPolarHBondContact O-CB 3.3Å; T478-A482 PolarHBondContact O-N 2.97Å
479	I	89.4	Confident	87.3	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-65.4	-42.3	178.5	-71.4	173.4	0	0	0	110.5	F390 I475 N477 L483 F626 L630	F390-I479 HydrophobicContact CD2-CG1 4.39Å; F390-I479 HydrophobicContact CE2-CD1 4.18Å; F390-I479 HydrophobicContact CE2-CG1 3.82Å; I475-I479 HydrophobicContact CG2-CD1 3.55Å; I475-I479 HydrophobicContact CG2-CG1 4.36Å; I475-I479 VanDerWaalsContact O-CB 3.32Å; I475-I479 WeakPolarHBondContact O-CB 3.38Å; I475-I479 VanDerWaalsContact O-CG1 3.27Å; I475-I479 WeakPolarHBondContact O-CG1 3.44Å; I475-I479 PolarHBondContact O-N 2.88Å; N477-I479 PolarHBondContact O-N 2.82Å; I479-L483 WeakPolarHBondContact O-CB 3.48Å; I479-L483 PolarHBondContact O-N 3.37Å; I479-F626 HydrophobicContact CB-CD2 4.4Å; I479-F626 HydrophobicContact CD1-CB 3.8Å; I479-F626 HydrophobicContact CD1-CD1 4.11Å; I479-F626 HydrophobicContact CD1-CD2 4.44Å; I479-F626 HydrophobicContact CD1-CG 3.86Å; I479-F626 HydrophobicContact CG1-CB 4.28Å; I479-F626 HydrophobicContact CG1-CD1 3.84Å; I479-F626 HydrophobicContact CG1-CD2 4.03Å; I479-F626 HydrophobicContact CG1-CE1 4.17Å; I479-F626 HydrophobicContact CG1-CE2 4.34Å; I479-F626 HydrophobicContact CG1-CG 3.77Å; I479-F626 HydrophobicContact CG1-CZ 4.4Å; I479-F626 HydrophobicContact CG2-CD2 3.75Å; I479-F626 HydrophobicContact CG2-CE2 4.14Å; I479-F626 HydrophobicContact CG2-CG 4.23Å; I479-L630 HydrophobicContact CD1-CD1 4.13Å; I479-L630 HydrophobicContact CD1-CD2 3.92Å; I479-L630 HydrophobicContact CD1-CG 3.65Å
480	Y	87.4	Confident	88.1	Confident	2 Å²	2	22 Å²	22	1%	0.008	12%	0.118	C	C	.	.	H	α-helix	trans	-63.8	-49	176.9	-177	-86.9	0	0	0	111.6	R476 N477 L483 Q484 D519 P547 R549 V551	R476-Y480 WeakPolarHBondContact O-CB 3.18Å; R476-Y480 PolarHBondContact O-N 3.35Å; N477-Y480 PolarHBondContact O-N 3.15Å; Y480-L483 PolarHBondContact O-N 3.35Å; Y480-Q484 HydrophobicContact CD1-CG 3.95Å; Y480-Q484 HydrophobicContact CD2-CG 4.4Å; Y480-Q484 HydrophobicContact CE1-CG 3.6Å; Y480-Q484 HydrophobicContact CE2-CG 4.09Å; Y480-Q484 HydrophobicContact CG-CG 4.34Å; Y480-Q484 WeakPolarHBondContact O-CB 3.49Å; Y480-Q484 VanDerWaalsContact O-CG 3.31Å; Y480-Q484 WeakPolarHBondContact O-CG 3.22Å; Y480-Q484 PolarHBondContact O-N 3.14Å; Y480-D519 WeakPolarHBondContact OH-CB 3.39Å; Y480-D519 PolarHBondContact OH-OD2 3.29Å; Y480-P547 HydrophobicContact CE1-CG 4.37Å; Y480-P547 WeakPolarHBondContact CE1-O 3.27Å; Y480-R549 WeakPolarHBondContact CB-O 3.43Å; Y480-R549 HydrophobicContact CD1-CB 3.97Å; Y480-R549 HydrophobicContact CD2-CB 4.21Å; Y480-R549 HydrophobicContact CE1-CB 3.76Å; Y480-R549 HydrophobicContact CE1-CG 3.81Å; Y480-R549 HydrophobicContact CE2-CB 4.01Å; Y480-R549 HydrophobicContact CE2-CG 4.2Å; Y480-R549 HydrophobicContact CG-CB 4.18Å; Y480-R549 WeakPolarHBondContact OH-CD 3.44Å; Y480-R549 PolarHBondContact OH-NE 2.85Å; Y480-V551 WeakPolarHBondContact CB-O 3.37Å; Y480-V551 HydrophobicContact CD2-CG1 3.97Å; Y480-V551 VanDerWaalsContact CD2-O 3.31Å; Y480-V551 WeakPolarHBondContact CD2-O 3.45Å; Y480-V551 HydrophobicContact CE2-CG1 4.13Å
481	A	89.4	Confident	88.5	Confident	7 Å²	7	20.6 Å²	20.6	6%	0.058	11%	0.11	C	C	.	.	H	α-helix	trans	-54.9	-55.3	176.9	0	0	0	0	0	111.2	N477 T478 L483 Q484 D485	N477-A481 VanDerWaalsContact O-CB 3.27Å; N477-A481 WeakPolarHBondContact O-CB 3.41Å; N477-A481 PolarHBondContact O-N 3.34Å; T478-A481 PolarHBondContact O-N 3.49Å; A481-L483 VanDerWaalsContact C-N 3.33Å; A481-L483 PolarHBondContact O-N 2.64Å; A481-Q484 PolarHBondContact O-N 3.13Å; A481-D485 WeakPolarHBondContact O-CB 3.23Å; A481-D485 PolarHBondContact O-N 2.57Å
482	A	90.6	Very high	88.7	Confident	24 Å²	24	21.6 Å²	21.6	20%	0.198	11%	0.114	C	C	.	.	H	α-helix	trans	-58.9	-41.3	178.9	0	0	0	0	0	112.7	T478 F486 F619 F626	T478-A482 WeakPolarHBondContact O-CB 3.3Å; T478-A482 PolarHBondContact O-N 2.97Å; A482-F486 WeakPolarHBondContact O-CB 3.29Å; A482-F486 PolarHBondContact O-N 3Å; A482-F486 VanDerWaalsContact O-N 3.07Å; A482-F619 HydrophobicContact CB-CE2 4.41Å; A482-F619 WeakPolarHBondContact O-CE2 3.38Å; A482-F626 HydrophobicContact CB-CZ 4.36Å
483	L	88.3	Confident	89.1	Confident	4 Å²	4	24.2 Å²	24.2	2%	0.021	13%	0.126	C	C	.	.	H	α-helix	trans	-66.6	-43.5	179.4	-173.9	68.9	0	0	0	112.2	I479 Y480 A481 A487 I517 P553 V586 F619	I479-L483 WeakPolarHBondContact O-CB 3.48Å; I479-L483 PolarHBondContact O-N 3.37Å; Y480-L483 PolarHBondContact O-N 3.35Å; A481-L483 VanDerWaalsContact C-N 3.33Å; A481-L483 PolarHBondContact O-N 2.64Å; L483-A487 VanDerWaalsContact O-CB 3.28Å; L483-A487 WeakPolarHBondContact O-CB 3.49Å; L483-A487 PolarHBondContact O-N 2.86Å; L483-I517 HydrophobicContact CD1-CD1 3.48Å; L483-I517 VanDerWaalsContact CD1-CD1 3.48Å; L483-I517 HydrophobicContact CD1-CG2 4.49Å; L483-I517 HydrophobicContact CD2-CB 4.31Å; L483-I517 HydrophobicContact CD2-CG2 4.1Å; L483-I517 HydrophobicContact CG-CB 4.38Å; L483-I517 HydrophobicContact CG-CD1 3.84Å; L483-P553 HydrophobicContact CD2-CB 3.82Å; L483-P553 HydrophobicContact CD2-CG 3.99Å; L483-V586 HydrophobicContact CD1-CG1 4.42Å; L483-F619 HydrophobicContact CD1-CE1 4.47Å; L483-F619 HydrophobicContact CD1-CZ 3.8Å
484	Q	89.8	Confident	89.5	Confident	6 Å²	6	20.9 Å²	20.9	3%	0.028	11%	0.11	C	C	.	.	H	α-helix	trans	-75.3	-42.6	-179.8	-62.7	-57	-27.4	0	0	112.1	Y480 A481 F486 A487 Q488 I517 V546	Y480-Q484 HydrophobicContact CD1-CG 3.95Å; Y480-Q484 HydrophobicContact CD2-CG 4.4Å; Y480-Q484 HydrophobicContact CE1-CG 3.6Å; Y480-Q484 HydrophobicContact CE2-CG 4.09Å; Y480-Q484 HydrophobicContact CG-CG 4.34Å; Y480-Q484 WeakPolarHBondContact O-CB 3.49Å; Y480-Q484 VanDerWaalsContact O-CG 3.31Å; Y480-Q484 WeakPolarHBondContact O-CG 3.22Å; Y480-Q484 PolarHBondContact O-N 3.14Å; A481-Q484 PolarHBondContact O-N 3.13Å; Q484-F486 VanDerWaalsContact C-N 3.29Å; Q484-F486 PolarHBondContact O-N 3.4Å; Q484-A487 PolarHBondContact O-N 3.32Å; Q484-Q488 WeakPolarHBondContact O-CA 3.39Å; Q484-Q488 WeakPolarHBondContact O-CB 3.36Å; Q484-Q488 WeakPolarHBondContact O-CG 3.43Å; Q484-Q488 PolarHBondContact O-N 2.86Å; Q484-I517 PolarHBondContact NE2-O 3.29Å; Q484-I517 PolarHBondContact OE1-O 3.05Å; Q484-V546 HydrophobicContact CB-CG1 3.33Å; Q484-V546 HydrophobicContact CG-CG1 4.4Å
485	D	91.5	Very high	89.7	Confident	49 Å²	49	20.8 Å²	20.8	26%	0.262	11%	0.11	S	C	.	.	I	π-helix	trans	-60.3	-43.4	176.4	-68.5	-14.8	0	0	0	110.3	A481 V489 T490 V546 R548	A481-D485 WeakPolarHBondContact O-CB 3.23Å; A481-D485 PolarHBondContact O-N 2.57Å; D485-V489 WeakPolarHBondContact O-CA 3.49Å; D485-V489 VanDerWaalsContact O-CB 3.28Å; D485-V489 WeakPolarHBondContact O-CB 3.49Å; D485-V489 PolarHBondContact O-N 3.19Å; D485-T490 PolarHBondContact O-N 3.12Å; D485-V546 WeakPolarHBondContact OD1-CB 3.26Å; D485-V546 WeakPolarHBondContact OD1-CG1 3.32Å; D485-R548 IonicContact OD1-CZ 2.71Å; D485-R548 IonicContact OD1-NH1 3.6Å; D485-R548 PolarHBondContact OD1-NH1 3.11Å; D485-R548 IonicContact OD1-NH2 2.77Å; D485-R548 IonicContact OD2-CZ 3.01Å; D485-R548 IonicContact OD2-NH1 3.19Å; D485-R548 PolarHBondContact OD2-NH1 3.38Å; D485-R548 VanDerWaalsContact OD2-NH1 3.09Å; D485-R548 IonicContact OD2-NH2 2.74Å; D485-R548 PolarHBondContact OD2-NH2 3.02Å
486	F	91.6	Very high	89.9	Confident	10 Å²	10	21.8 Å²	21.8	4%	0.044	11%	0.113	C	C	.	.	I	π-helix	trans	-61.8	-51.5	175.1	-175.3	-97.8	0	0	0	112.1	A482 Q484 T490 L491 L590 I616 F619	A482-F486 WeakPolarHBondContact O-CB 3.29Å; A482-F486 PolarHBondContact O-N 3Å; A482-F486 VanDerWaalsContact O-N 3.07Å; Q484-F486 VanDerWaalsContact C-N 3.29Å; Q484-F486 PolarHBondContact O-N 3.4Å; F486-T490 HydrophobicContact CD2-CG2 3.94Å; F486-T490 HydrophobicContact CE2-CG2 4.06Å; F486-T490 CarbonylContact O-C 3.58Å; F486-T490 WeakPolarHBondContact O-CA 3.24Å; F486-T490 WeakPolarHBondContact O-CB 3.27Å; F486-T490 PolarHBondContact O-N 3.04Å; F486-T490 VanDerWaalsContact O-N 3.17Å; F486-L491 HydrophobicContact CD1-CD1 4.37Å; F486-L491 HydrophobicContact CD1-CD2 4.41Å; F486-L491 HydrophobicContact CD1-CG 4.17Å; F486-L491 HydrophobicContact CE1-CD1 4.06Å; F486-L491 HydrophobicContact CE1-CD2 3.67Å; F486-L491 HydrophobicContact CE1-CG 3.89Å; F486-L491 HydrophobicContact CE2-CD2 4.47Å; F486-L491 HydrophobicContact CZ-CD2 3.72Å; F486-L491 HydrophobicContact CZ-CG 4.36Å; F486-L491 WeakPolarHBondContact O-CG 3.14Å; F486-L491 PolarHBondContact O-N 2.85Å; F486-L590 HydrophobicContact CD1-CD1 4.44Å; F486-L590 HydrophobicContact CE1-CD1 3.55Å; F486-L590 HydrophobicContact CE1-CD2 3.68Å; F486-L590 HydrophobicContact CE1-CG 4.27Å; F486-L590 HydrophobicContact CZ-CD1 4.04Å; F486-L590 HydrophobicContact CZ-CD2 3.91Å; F486-I616 HydrophobicContact CZ-CG1 4.11Å; F486-F619 HydrophobicContact CB-CD2 3.73Å; F486-F619 HydrophobicContact CB-CE2 3.77Å; F486-F619 HydrophobicContact CB-CG 4.27Å; F486-F619 HydrophobicContact CB-CZ 4.34Å; F486-F619 AromaticContact CD1-CD1 3.8Å; F486-F619 HydrophobicContact CD1-CD1 3.8Å; F486-F619 HydrophobicContact CD1-CD2 4.22Å; F486-F619 AromaticContact CD1-CE1 3.97Å; F486-F619 HydrophobicContact CD1-CE1 3.97Å; F486-F619 HydrophobicContact CD1-CE2 4.37Å; F486-F619 AromaticContact CD1-CG 3.94Å; F486-F619 HydrophobicContact CD1-CG 3.94Å; F486-F619 HydrophobicContact CD1-CZ 4.25Å; F486-F619 HydrophobicContact CD2-CB 3.59Å; F486-F619 HydrophobicContact CD2-CD1 4.26Å; F486-F619 AromaticContact CD2-CD2 3.8Å; F486-F619 HydrophobicContact CD2-CD2 3.8Å; F486-F619 AromaticContact CD2-CG 3.6Å; F486-F619 HydrophobicContact CD2-CG 3.6Å; F486-F619 AromaticContact CE1-CD1 3.82Å; F486-F619 HydrophobicContact CE1-CD1 3.82Å; F486-F619 HydrophobicContact CE1-CE1 4.27Å; F486-F619 HydrophobicContact CE1-CG 4.14Å; F486-F619 HydrophobicContact CE2-CB 3.47Å; F486-F619 VanDerWaalsContact CE2-CB 3.47Å; F486-F619 HydrophobicContact CE2-CD1 4.27Å; F486-F619 HydrophobicContact CE2-CD2 4.48Å; F486-F619 AromaticContact CE2-CG 3.82Å; F486-F619 HydrophobicContact CE2-CG 3.82Å; F486-F619 HydrophobicContact CG-CB 4.19Å; F486-F619 HydrophobicContact CG-CD1 4.02Å; F486-F619 AromaticContact CG-CD2 3.64Å; F486-F619 HydrophobicContact CG-CD2 3.64Å; F486-F619 HydrophobicContact CG-CE1 4.36Å; F486-F619 HydrophobicContact CG-CE2 4.01Å; F486-F619 AromaticContact CG-CG 3.65Å; F486-F619 HydrophobicContact CG-CG 3.65Å; F486-F619 HydrophobicContact CG-CZ 4.36Å; F486-F619 HydrophobicContact CZ-CB 3.97Å; F486-F619 HydrophobicContact CZ-CD1 4.05Å; F486-F619 HydrophobicContact CZ-CG 4.08Å
487	A	89.6	Confident	90.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.101	C	C	.	.	I	π-helix	trans	-76	-38.3	-173.4	0	0	0	0	0	114.5	L483 Q484 R514 I517 C518	L483-A487 VanDerWaalsContact O-CB 3.28Å; L483-A487 WeakPolarHBondContact O-CB 3.49Å; L483-A487 PolarHBondContact O-N 2.86Å; Q484-A487 PolarHBondContact O-N 3.32Å; A487-R514 WeakPolarHBondContact O-CG 3.33Å; A487-R514 PolarHBondContact O-NE 2.91Å; A487-R514 VanDerWaalsContact O-NE 3.07Å; A487-I517 HydrophobicContact CB-CD1 3.5Å; A487-I517 HydrophobicContact CB-CG1 3.99Å; A487-C518 VanDerWaalsContact CB-SG 3.56Å
488	Q	90.4	Very high	90.2	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	10%	0.097	C	C	.	.	I	π-helix	trans	-81.6	-42.4	-178.7	-61.3	-168.2	34.7	0	0	111.5	Q484 R492 R514 C518 D519 W520 I544 V546	Q484-Q488 WeakPolarHBondContact O-CA 3.39Å; Q484-Q488 WeakPolarHBondContact O-CB 3.36Å; Q484-Q488 WeakPolarHBondContact O-CG 3.43Å; Q484-Q488 PolarHBondContact O-N 2.86Å; Q488-R492 WeakPolarHBondContact O-CD 3.24Å; Q488-R492 WeakPolarHBondContact O-CG 3.47Å; Q488-R514 PolarHBondContact O-NH2 2.88Å; Q488-C518 HydrophobicContact CG-CB 4.08Å; Q488-D519 VanDerWaalsContact NE2-C 3.34Å; Q488-D519 PolarHBondContact NE2-O 3.05Å; Q488-W520 HydrophobicContact CB-CE3 4.4Å; Q488-W520 HydrophobicContact CB-CH2 4.07Å; Q488-W520 HydrophobicContact CB-CZ3 3.68Å; Q488-W520 HydrophobicContact CG-CE3 3.92Å; Q488-W520 HydrophobicContact CG-CH2 3.92Å; Q488-W520 HydrophobicContact CG-CZ3 3.59Å; Q488-I544 HydrophobicContact CB-CG2 4.5Å; Q488-V546 HydrophobicContact CB-CG2 4.23Å
489	V	91.5	Very high	90.2	Very high	64 Å²	64	18.9 Å²	18.9	39%	0.388	11%	0.105	S	C	.	.	I	π-helix	trans	-104.9	-59.2	-173.3	-171.4	0	0	0	0	112.3	D485 L491 R492 V546	D485-V489 WeakPolarHBondContact O-CA 3.49Å; D485-V489 VanDerWaalsContact O-CB 3.28Å; D485-V489 WeakPolarHBondContact O-CB 3.49Å; D485-V489 PolarHBondContact O-N 3.19Å; V489-L491 VanDerWaalsContact C-N 3.34Å; V489-L491 PolarHBondContact O-N 2.83Å; V489-R492 VanDerWaalsContact O-CB 3.25Å; V489-R492 WeakPolarHBondContact O-CB 3.34Å; V489-R492 VanDerWaalsContact O-CG 3.23Å; V489-R492 WeakPolarHBondContact O-CG 3.07Å; V489-R492 PolarHBondContact O-N 2.81Å; V489-V546 HydrophobicContact CG2-CG2 3.68Å
490	T	91	Very high	90.2	Very high	63 Å²	63	25.5 Å²	25.5	39%	0.387	13%	0.129	S	C	.	.	I	π-helix	trans	-62.4	-38.6	-173.6	-49.8	0	0	0	0	112.5	D485 F486 R492 P494 A615	D485-T490 PolarHBondContact O-N 3.12Å; F486-T490 HydrophobicContact CD2-CG2 3.94Å; F486-T490 HydrophobicContact CE2-CG2 4.06Å; F486-T490 CarbonylContact O-C 3.58Å; F486-T490 WeakPolarHBondContact O-CA 3.24Å; F486-T490 WeakPolarHBondContact O-CB 3.27Å; F486-T490 PolarHBondContact O-N 3.04Å; F486-T490 VanDerWaalsContact O-N 3.17Å; T490-R492 PolarHBondContact O-N 3.24Å; T490-P494 VanDerWaalsContact O-CD 3.26Å; T490-P494 WeakPolarHBondContact O-CD 3.41Å; T490-A615 HydrophobicContact CG2-CB 4.05Å
491	L	90.9	Very high	90.2	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-5.6	177.7	-65	-173.1	0	0	0	114.6	F486 V489 P494 L495 L510 I513 L590	F486-L491 HydrophobicContact CD1-CD1 4.37Å; F486-L491 HydrophobicContact CD1-CD2 4.41Å; F486-L491 HydrophobicContact CD1-CG 4.17Å; F486-L491 HydrophobicContact CE1-CD1 4.06Å; F486-L491 HydrophobicContact CE1-CD2 3.67Å; F486-L491 HydrophobicContact CE1-CG 3.89Å; F486-L491 HydrophobicContact CE2-CD2 4.47Å; F486-L491 HydrophobicContact CZ-CD2 3.72Å; F486-L491 HydrophobicContact CZ-CG 4.36Å; F486-L491 WeakPolarHBondContact O-CG 3.14Å; F486-L491 PolarHBondContact O-N 2.85Å; V489-L491 VanDerWaalsContact C-N 3.34Å; V489-L491 PolarHBondContact O-N 2.83Å; L491-P494 HydrophobicContact CB-CG 4.47Å; L491-P494 HydrophobicContact CD2-CG 4.09Å; L491-P494 WeakPolarHBondContact O-CD 3.32Å; L491-P494 WeakPolarHBondContact O-CG 3.48Å; L491-L495 WeakPolarHBondContact O-CB 3.47Å; L491-L495 PolarHBondContact O-N 3.3Å; L491-L495 VanDerWaalsContact O-N 3.09Å; L491-L510 HydrophobicContact CD1-CD2 4.43Å; L491-L510 HydrophobicContact CD2-CD2 3.91Å; L491-I513 HydrophobicContact CD1-CB 4.27Å; L491-I513 HydrophobicContact CD1-CG2 3.68Å; L491-L590 HydrophobicContact CD2-CD2 4.48Å
492	R	91.8	Very high	90.1	Very high	20 Å²	20	37.2 Å²	37.2	8%	0.075	18%	0.179	C	C	.	.	H	α-helix	trans	-61.5	-46.4	175.9	-66.2	177.4	72.9	-116.5	-15	112	Q488 V489 T490 L495 R496 D529 C531 D537	Q488-R492 WeakPolarHBondContact O-CD 3.24Å; Q488-R492 WeakPolarHBondContact O-CG 3.47Å; V489-R492 VanDerWaalsContact O-CB 3.25Å; V489-R492 WeakPolarHBondContact O-CB 3.34Å; V489-R492 VanDerWaalsContact O-CG 3.23Å; V489-R492 WeakPolarHBondContact O-CG 3.07Å; V489-R492 PolarHBondContact O-N 2.81Å; T490-R492 PolarHBondContact O-N 3.24Å; R492-L495 PolarHBondContact O-N 2.95Å; R492-R496 VanDerWaalsContact O-CB 3.25Å; R492-R496 WeakPolarHBondContact O-CB 3.44Å; R492-R496 PolarHBondContact O-N 3.31Å; R492-D529 IonicContact CZ-OD1 3.92Å; R492-D529 IonicContact CZ-OD2 3.27Å; R492-D529 IonicContact NE-OD1 2.82Å; R492-D529 PolarHBondContact NE-OD1 3.32Å; R492-D529 IonicContact NE-OD2 3.44Å; R492-D529 PolarHBondContact NE-OD2 3.02Å; R492-D529 IonicContact NH2-OD1 3.23Å; R492-D529 PolarHBondContact NH2-OD1 3.42Å; R492-D529 IonicContact NH2-OD2 2.94Å; R492-C531 HydrophobicContact CB-CB 4.14Å; R492-D537 IonicContact CZ-OD1 2.76Å; R492-D537 IonicContact CZ-OD2 3.56Å; R492-D537 IonicContact NH1-OD1 3.49Å; R492-D537 IonicContact NH1-OD2 3.51Å; R492-D537 PolarHBondContact NH1-OD2 2.96Å; R492-D537 IonicContact NH2-OD1 3.7Å; R492-D537 PolarHBondContact NH2-OD1 3.38Å; R492-D537 IonicContact NH2-OD2 3.68Å; R492-D537 PolarHBondContact NH2-OD2 3.05Å
493	E	89.1	Confident	89.9	Confident	73 Å²	73	39.4 Å²	39.4	34%	0.341	18%	0.184	S	C	.	.	H	α-helix	trans	-64.9	-52	-177.9	177.9	56.6	-159.2	0	0	112.7	L495 R496 Q497 I612	E493-L495 VanDerWaalsContact C-N 3.28Å; E493-L495 PolarHBondContact O-N 2.85Å; E493-R496 WeakPolarHBondContact O-CB 3.47Å; E493-R496 PolarHBondContact O-N 2.9Å; E493-R496 IonicContact OE1-CZ 3.99Å; E493-R496 IonicContact OE1-NE 2.82Å; E493-R496 IonicContact OE1-NH2 3.11Å; E493-R496 PolarHBondContact OE1-NH2 3.22Å; E493-R496 IonicContact OE2-CZ 2.71Å; E493-R496 VanDerWaalsContact OE2-CZ 3.23Å; E493-R496 IonicContact OE2-NE 2.71Å; E493-R496 PolarHBondContact OE2-NE 2.9Å; E493-R496 IonicContact OE2-NH2 3.83Å; E493-R496 PolarHBondContact OE2-NH2 3.12Å; E493-Q497 WeakPolarHBondContact O-CB 3.4Å; E493-Q497 VanDerWaalsContact O-CG 3.3Å; E493-Q497 WeakPolarHBondContact O-CG 3.14Å; E493-Q497 PolarHBondContact O-N 2.87Å; E493-Q497 VanDerWaalsContact OE1-CG 3.3Å; E493-Q497 WeakPolarHBondContact OE1-CG 3.44Å; E493-Q497 PolarHBondContact OE1-NE2 3.28Å; E493-I612 HydrophobicContact CG-CD1 4.16Å; E493-I612 HydrophobicContact CG-CG1 4.39Å
494	P	90.2	Very high	89.8	Confident	4 Å²	4	44.9 Å²	44.9	3%	0.026	21%	0.214	C	C	.	.	H	α-helix	trans	-58.7	-37.8	173.1	16.8	-26.8	0	0	0	113.2	T490 L491 Q497 A498 L510 L608 I612	T490-P494 VanDerWaalsContact O-CD 3.26Å; T490-P494 WeakPolarHBondContact O-CD 3.41Å; L491-P494 HydrophobicContact CB-CG 4.47Å; L491-P494 HydrophobicContact CD2-CG 4.09Å; L491-P494 WeakPolarHBondContact O-CD 3.32Å; L491-P494 WeakPolarHBondContact O-CG 3.48Å; P494-Q497 PolarHBondContact O-N 3.19Å; P494-A498 VanDerWaalsContact O-CB 3.24Å; P494-A498 WeakPolarHBondContact O-CB 3.34Å; P494-A498 PolarHBondContact O-N 3.04Å; P494-L510 HydrophobicContact CB-CD1 3.91Å; P494-L510 HydrophobicContact CB-CD2 4.25Å; P494-L510 HydrophobicContact CG-CD2 4.34Å; P494-L608 HydrophobicContact CB-CD2 4.22Å; P494-I612 HydrophobicContact CB-CD1 4.18Å; P494-I612 HydrophobicContact CB-CG2 3.66Å; P494-I612 HydrophobicContact CG-CG2 3.89Å
495	L	90.8	Very high	89.5	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.4	-47.8	177.9	-176.5	57.2	0	0	0	111.3	L491 R492 E493 Q497 A498 V499 I507 L510 Q511 L532	L491-L495 WeakPolarHBondContact O-CB 3.47Å; L491-L495 PolarHBondContact O-N 3.3Å; L491-L495 VanDerWaalsContact O-N 3.09Å; R492-L495 PolarHBondContact O-N 2.95Å; E493-L495 VanDerWaalsContact C-N 3.28Å; E493-L495 PolarHBondContact O-N 2.85Å; L495-Q497 VanDerWaalsContact C-N 3.28Å; L495-Q497 PolarHBondContact O-N 2.97Å; L495-A498 PolarHBondContact O-N 2.89Å; L495-A498 VanDerWaalsContact O-N 3.11Å; L495-V499 HydrophobicContact CD1-CG2 4.21Å; L495-V499 WeakPolarHBondContact O-CG2 3.48Å; L495-V499 PolarHBondContact O-N 2.9Å; L495-I507 HydrophobicContact CD1-CG2 4.17Å; L495-L510 HydrophobicContact CB-CD1 4.43Å; L495-L510 HydrophobicContact CD1-CB 4.21Å; L495-Q511 HydrophobicContact CD1-CG 4Å; L495-Q511 HydrophobicContact CD2-CG 4.44Å; L495-L532 HydrophobicContact CD2-CD2 3.99Å
496	R	91.8	Very high	89.2	Confident	21 Å²	21	46.7 Å²	46.7	8%	0.079	23%	0.227	C	C	.	.	H	α-helix	trans	-52.9	-47.4	173.1	-172.8	-172.9	72.9	83.2	-2.4	111.3	R492 E493 R500 C531 E535	R492-R496 VanDerWaalsContact O-CB 3.25Å; R492-R496 WeakPolarHBondContact O-CB 3.44Å; R492-R496 PolarHBondContact O-N 3.31Å; E493-R496 WeakPolarHBondContact O-CB 3.47Å; E493-R496 PolarHBondContact O-N 2.9Å; E493-R496 IonicContact OE1-CZ 3.99Å; E493-R496 IonicContact OE1-NE 2.82Å; E493-R496 IonicContact OE1-NH2 3.11Å; E493-R496 PolarHBondContact OE1-NH2 3.22Å; E493-R496 IonicContact OE2-CZ 2.71Å; E493-R496 VanDerWaalsContact OE2-CZ 3.23Å; E493-R496 IonicContact OE2-NE 2.71Å; E493-R496 PolarHBondContact OE2-NE 2.9Å; E493-R496 IonicContact OE2-NH2 3.83Å; E493-R496 PolarHBondContact OE2-NH2 3.12Å; R496-R500 WeakPolarHBondContact O-CB 3.45Å; R496-R500 PolarHBondContact O-N 3.2Å; R496-C531 WeakPolarHBondContact CA-O 3.47Å; R496-C531 HydrophobicContact CB-CB 3.88Å; R496-C531 HydrophobicContact CG-CB 4.48Å; R496-E535 WeakPolarHBondContact CD-O 3.48Å; R496-E535 VanDerWaalsContact CG-O 3.31Å; R496-E535 WeakPolarHBondContact CG-O 3.29Å
497	Q	88.8	Confident	89	Confident	11 Å²	11	47.5 Å²	47.5	5%	0.051	23%	0.231	C	C	.	.	H	α-helix	trans	-65.1	-42.5	177.8	-71.1	-151.7	18.6	0	0	112.5	E493 P494 L495 R500 K501 D609 I612	E493-Q497 WeakPolarHBondContact O-CB 3.4Å; E493-Q497 VanDerWaalsContact O-CG 3.3Å; E493-Q497 WeakPolarHBondContact O-CG 3.14Å; E493-Q497 PolarHBondContact O-N 2.87Å; E493-Q497 VanDerWaalsContact OE1-CG 3.3Å; E493-Q497 WeakPolarHBondContact OE1-CG 3.44Å; E493-Q497 PolarHBondContact OE1-NE2 3.28Å; P494-Q497 PolarHBondContact O-N 3.19Å; L495-Q497 VanDerWaalsContact C-N 3.28Å; L495-Q497 PolarHBondContact O-N 2.97Å; Q497-R500 PolarHBondContact O-N 2.86Å; Q497-K501 WeakPolarHBondContact O-CB 3.36Å; Q497-K501 VanDerWaalsContact O-CG 3.27Å; Q497-K501 WeakPolarHBondContact O-CG 3.36Å; Q497-K501 PolarHBondContact O-N 3.49Å; Q497-D609 VanDerWaalsContact CD-OD2 3.3Å; Q497-D609 PolarHBondContact NE2-OD2 3.35Å; Q497-D609 PolarHBondContact OE1-OD1 3.08Å; Q497-D609 PolarHBondContact OE1-OD2 3.27Å; Q497-I612 HydrophobicContact CG-CD1 4.49Å
498	A	89.2	Confident	88.9	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-64.8	-44	179.2	0	0	0	0	0	111.4	P494 L495 K501 K502 K503 L506 I507 L510	P494-A498 VanDerWaalsContact O-CB 3.24Å; P494-A498 WeakPolarHBondContact O-CB 3.34Å; P494-A498 PolarHBondContact O-N 3.04Å; L495-A498 PolarHBondContact O-N 2.89Å; L495-A498 VanDerWaalsContact O-N 3.11Å; A498-K501 CarbonylContact O-C 3.42Å; A498-K502 CarbonylContact O-C 3.07Å; A498-K502 WeakPolarHBondContact O-CA 3.36Å; A498-K502 PolarHBondContact O-N 3.1Å; A498-K503 HydrophobicContact CB-CB 4.18Å; A498-K503 PolarHBondContact O-N 3.42Å; A498-L506 HydrophobicContact CB-CB 3.78Å; A498-I507 HydrophobicContact CB-CG1 3.67Å; A498-L510 HydrophobicContact CB-CD1 4.24Å
499	V	90.5	Very high	88.7	Confident	34 Å²	34	49.8 Å²	49.8	21%	0.206	25%	0.247	C	C	.	.	H	α-helix	trans	-60.3	-53.7	173.1	175	0	0	0	0	110.5	L495 K501 K502 I507	L495-V499 HydrophobicContact CD1-CG2 4.21Å; L495-V499 WeakPolarHBondContact O-CG2 3.48Å; L495-V499 PolarHBondContact O-N 2.9Å; V499-K501 VanDerWaalsContact C-N 3.34Å; V499-K501 PolarHBondContact O-N 3.33Å; V499-K502 PolarHBondContact O-N 3.47Å; V499-I507 HydrophobicContact CB-CD1 4.47Å; V499-I507 HydrophobicContact CG2-CD1 4.04Å; V499-I507 HydrophobicContact CG2-CG1 4.18Å
500	R	89.9	Confident	88.5	Confident	140 Å²	140	46.7 Å²	46.7	53%	0.528	23%	0.228	S	C	.	.	H	α-helix	trans	-58.7	-40.5	179.3	-174.8	178.8	65.8	130.5	-1.5	113.3	R496 Q497 K502	R496-R500 WeakPolarHBondContact O-CB 3.45Å; R496-R500 PolarHBondContact O-N 3.2Å; Q497-R500 PolarHBondContact O-N 2.86Å; R500-K502 VanDerWaalsContact C-N 3.32Å
501	K	88.1	Confident	88.3	Confident	77 Å²	77	46.6 Å²	46.6	34%	0.335	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	5.1	178.4	-64.9	168.5	172.2	168.6	0	112.7	Q497 A498 V499 K503 D609	Q497-K501 WeakPolarHBondContact O-CB 3.36Å; Q497-K501 VanDerWaalsContact O-CG 3.27Å; Q497-K501 WeakPolarHBondContact O-CG 3.36Å; Q497-K501 PolarHBondContact O-N 3.49Å; A498-K501 CarbonylContact O-C 3.42Å; V499-K501 VanDerWaalsContact C-N 3.34Å; V499-K501 PolarHBondContact O-N 3.33Å; K501-K503 VanDerWaalsContact C-N 3.3Å; K501-K503 HydrophobicContact CB-CG 3.78Å; K501-K503 PolarHBondContact O-N 2.91Å; K501-D609 IonicContact NZ-OD1 3.15Å; K501-D609 PolarHBondContact NZ-OD1 3.23Å; K501-D609 IonicContact NZ-OD2 2.64Å
502	K	87.4	Confident	88	Confident	178 Å²	178	46.8 Å²	46.8	77%	0.774	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	41.7	-176.2	-61.5	-173.6	179	-177.6	0	114.4	A498 V499 R500 N504	A498-K502 CarbonylContact O-C 3.07Å; A498-K502 WeakPolarHBondContact O-CA 3.36Å; A498-K502 PolarHBondContact O-N 3.1Å; V499-K502 PolarHBondContact O-N 3.47Å; R500-K502 VanDerWaalsContact C-N 3.32Å; K502-N504 PolarHBondContact O-N 2.84Å
503	K	86.6	Confident	87.7	Confident	71 Å²	71	45.8 Å²	45.8	31%	0.309	22%	0.221	S	C	.	.			trans	-88.3	68.9	-177	-64.1	-75.1	-173.3	158.9	0	111.2	A498 K501 V505 L506 I507 S607	A498-K503 HydrophobicContact CB-CB 4.18Å; A498-K503 PolarHBondContact O-N 3.42Å; K501-K503 VanDerWaalsContact C-N 3.3Å; K501-K503 HydrophobicContact CB-CG 3.78Å; K501-K503 PolarHBondContact O-N 2.91Å; K503-V505 PolarHBondContact O-N 3.16Å; K503-L506 HydrophobicContact CB-CB 3.98Å; K503-L506 HydrophobicContact CB-CD1 3.86Å; K503-L506 HydrophobicContact CB-CG 4.25Å; K503-L506 HydrophobicContact CG-CD1 4.13Å; K503-L506 WeakPolarHBondContact O-CA 3.17Å; K503-L506 WeakPolarHBondContact O-CB 3.21Å; K503-L506 PolarHBondContact O-N 3.13Å; K503-I507 WeakPolarHBondContact O-CG1 3.48Å; K503-I507 PolarHBondContact O-N 3.03Å; K503-S607 PolarHBondContact NZ-OG 3.36Å
504	N	85.3	Confident	87.7	Confident	119 Å²	119	42.5 Å²	42.5	64%	0.636	21%	0.206	S	C	*	.	H	α-helix	trans	-50	-36	-170.3	-62.9	-9.9	0	0	0	115.4	K502 I507 S508	K502-N504 PolarHBondContact O-N 2.84Å; N504-I507 PolarHBondContact O-N 3.16Å; N504-S508 PolarHBondContact O-N 2.97Å; N504-S508 PolarHBondContact O-OG 3.29Å
505	V	83.8	Confident	87.3	Confident	89 Å²	89	47.9 Å²	47.9	54%	0.539	23%	0.229	S	C	.	.	H	α-helix	trans	-71.2	-36.4	176.9	-173.5	0	0	0	0	112.6	K503 S508 V509 L604	K503-V505 PolarHBondContact O-N 3.16Å; V505-S508 PolarHBondContact O-OG 3.38Å; V505-S508 VanDerWaalsContact O-OG 3.06Å; V505-V509 WeakPolarHBondContact O-CG2 3.13Å; V505-V509 PolarHBondContact O-N 2.67Å; V505-L604 HydrophobicContact CB-CD2 4.28Å; V505-L604 HydrophobicContact CG1-CD1 4.49Å; V505-L604 HydrophobicContact CG1-CD2 3.88Å
506	L	85.1	Confident	86.6	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-67.7	-43	171.7	-75.9	174.8	0	0	0	110.5	A498 K503 S508 V509 L510 L593 L604 L608	A498-L506 HydrophobicContact CB-CB 3.78Å; K503-L506 HydrophobicContact CB-CB 3.98Å; K503-L506 HydrophobicContact CB-CD1 3.86Å; K503-L506 HydrophobicContact CB-CG 4.25Å; K503-L506 HydrophobicContact CG-CD1 4.13Å; K503-L506 WeakPolarHBondContact O-CA 3.17Å; K503-L506 WeakPolarHBondContact O-CB 3.21Å; K503-L506 PolarHBondContact O-N 3.13Å; L506-S508 VanDerWaalsContact C-N 3.34Å; L506-S508 PolarHBondContact O-N 2.55Å; L506-V509 PolarHBondContact O-N 2.94Å; L506-L510 HydrophobicContact CB-CD1 4.45Å; L506-L510 VanDerWaalsContact O-CB 3.31Å; L506-L510 WeakPolarHBondContact O-CB 3.41Å; L506-L510 WeakPolarHBondContact O-CD1 3.43Å; L506-L510 WeakPolarHBondContact O-CG 3.49Å; L506-L510 PolarHBondContact O-N 3.24Å; L506-L593 HydrophobicContact CD2-CD2 3.66Å; L506-L604 HydrophobicContact CD2-CB 4.21Å; L506-L604 HydrophobicContact CD2-CD2 4.17Å; L506-L604 HydrophobicContact CG-CD2 4.34Å; L506-L608 HydrophobicContact CD1-CD2 4.01Å; L506-L608 HydrophobicContact CD1-CG 4.46Å; L506-L608 HydrophobicContact CD2-CD2 4.1Å; L506-L608 HydrophobicContact CD2-CG 4.26Å
507	I	87.5	Confident	86.1	Confident	26 Å²	26	47.4 Å²	47.4	13%	0.133	23%	0.228	C	C	.	.	H	α-helix	trans	-57.8	-47.2	177.3	-59.1	170.6	0	0	0	110.2	L495 A498 V499 K503 N504 L510 Q511	L495-I507 HydrophobicContact CD1-CG2 4.17Å; A498-I507 HydrophobicContact CB-CG1 3.67Å; V499-I507 HydrophobicContact CB-CD1 4.47Å; V499-I507 HydrophobicContact CG2-CD1 4.04Å; V499-I507 HydrophobicContact CG2-CG1 4.18Å; K503-I507 WeakPolarHBondContact O-CG1 3.48Å; K503-I507 PolarHBondContact O-N 3.03Å; N504-I507 PolarHBondContact O-N 3.16Å; I507-L510 PolarHBondContact O-N 3.11Å; I507-Q511 HydrophobicContact CG2-CG 4.16Å; I507-Q511 VanDerWaalsContact O-CB 3.25Å; I507-Q511 WeakPolarHBondContact O-CB 3.29Å; I507-Q511 VanDerWaalsContact O-CG 3.29Å; I507-Q511 WeakPolarHBondContact O-CG 3.41Å; I507-Q511 PolarHBondContact O-N 3.43Å
508	S	86.6	Confident	85.9	Confident	47 Å²	47	47.2 Å²	47.2	33%	0.329	23%	0.228	S	C	.	.	H	α-helix	trans	-66.3	-39.9	-177.4	63.5	0	0	0	0	113.2	N504 V505 L506 A512	N504-S508 PolarHBondContact O-N 2.97Å; N504-S508 PolarHBondContact O-OG 3.29Å; V505-S508 PolarHBondContact O-OG 3.38Å; V505-S508 VanDerWaalsContact O-OG 3.06Å; L506-S508 VanDerWaalsContact C-N 3.34Å; L506-S508 PolarHBondContact O-N 2.55Å; S508-A512 WeakPolarHBondContact O-CB 3.45Å; S508-A512 PolarHBondContact O-N 3.4Å
509	V	86.1	Confident	85.6	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-68.7	-46.6	176	178.1	0	0	0	0	111.3	I56 V505 L506 Q511 A512 I513 M589 L593	I56-V509 HydrophobicContact CD1-CG2 3.69Å; V505-V509 WeakPolarHBondContact O-CG2 3.13Å; V505-V509 PolarHBondContact O-N 2.67Å; L506-V509 PolarHBondContact O-N 2.94Å; V509-Q511 PolarHBondContact O-N 3.01Å; V509-A512 PolarHBondContact O-N 3.28Å; V509-I513 HydrophobicContact CG1-CD1 4.05Å; V509-I513 WeakPolarHBondContact O-CG1 3.43Å; V509-I513 PolarHBondContact O-N 3.03Å; V509-M589 HydrophobicContact CG1-CB 3.99Å; V509-M589 HydrophobicContact CG1-CG 4.44Å; V509-L593 HydrophobicContact CB-CD2 3.93Å; V509-L593 HydrophobicContact CG1-CD1 4.27Å; V509-L593 HydrophobicContact CG1-CD2 3.64Å; V509-L593 HydrophobicContact CG1-CG 3.96Å; V509-L593 HydrophobicContact CG2-CD2 4.47Å
510	L	88.4	Confident	85.4	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.5	-41.5	179.4	-69.4	166.6	0	0	0	112.2	L491 P494 L495 A498 L506 I507 I513 R514 L593	L491-L510 HydrophobicContact CD1-CD2 4.43Å; L491-L510 HydrophobicContact CD2-CD2 3.91Å; P494-L510 HydrophobicContact CB-CD1 3.91Å; P494-L510 HydrophobicContact CB-CD2 4.25Å; P494-L510 HydrophobicContact CG-CD2 4.34Å; L495-L510 HydrophobicContact CB-CD1 4.43Å; L495-L510 HydrophobicContact CD1-CB 4.21Å; A498-L510 HydrophobicContact CB-CD1 4.24Å; L506-L510 HydrophobicContact CB-CD1 4.45Å; L506-L510 VanDerWaalsContact O-CB 3.31Å; L506-L510 WeakPolarHBondContact O-CB 3.41Å; L506-L510 WeakPolarHBondContact O-CD1 3.43Å; L506-L510 WeakPolarHBondContact O-CG 3.49Å; L506-L510 PolarHBondContact O-N 3.24Å; I507-L510 PolarHBondContact O-N 3.11Å; L510-I513 PolarHBondContact O-N 2.92Å; L510-R514 PolarHBondContact O-N 3.47Å; L510-L593 HydrophobicContact CD2-CD1 3.73Å; L510-L593 HydrophobicContact CG-CD1 4.3Å
511	Q	87.1	Confident	85	Confident	60 Å²	60	46.5 Å²	46.5	28%	0.28	23%	0.228	S	C	.	.	H	α-helix	trans	-70.2	-34	174.2	-73.1	-176.8	-16.5	0	0	112.5	L495 I507 V509 R514 K515	L495-Q511 HydrophobicContact CD1-CG 4Å; L495-Q511 HydrophobicContact CD2-CG 4.44Å; I507-Q511 HydrophobicContact CG2-CG 4.16Å; I507-Q511 VanDerWaalsContact O-CB 3.25Å; I507-Q511 WeakPolarHBondContact O-CB 3.29Å; I507-Q511 VanDerWaalsContact O-CG 3.29Å; I507-Q511 WeakPolarHBondContact O-CG 3.41Å; I507-Q511 PolarHBondContact O-N 3.43Å; V509-Q511 PolarHBondContact O-N 3.01Å; Q511-R514 PolarHBondContact O-N 3.12Å; Q511-K515 VanDerWaalsContact O-CB 3.3Å; Q511-K515 WeakPolarHBondContact O-CB 3.47Å; Q511-K515 WeakPolarHBondContact O-CG 3.46Å; Q511-K515 PolarHBondContact O-N 2.91Å
512	A	84.8	Confident	84.4	Confident	5 Å²	5	46 Å²	46	4%	0.041	24%	0.244	C	C	.	.	H	α-helix	trans	-61.6	-47.7	173	0	0	0	0	0	110.4	S508 V509 R514 K515 T516 M589	S508-A512 WeakPolarHBondContact O-CB 3.45Å; S508-A512 PolarHBondContact O-N 3.4Å; V509-A512 PolarHBondContact O-N 3.28Å; A512-R514 PolarHBondContact O-N 2.99Å; A512-K515 PolarHBondContact O-N 3.36Å; A512-T516 WeakPolarHBondContact O-CB 3.27Å; A512-T516 PolarHBondContact O-N 3.18Å; A512-T516 PolarHBondContact O-OG1 3.37Å; A512-M589 HydrophobicContact CB-CE 4.49Å; A512-M589 HydrophobicContact CB-SD 3.67Å
513	I	85.8	Confident	84.1	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-54.9	-55.6	173.8	-64.8	156.4	0	0	0	110.6	L491 V509 L510 K515 T516 I517 V586 M589 L590 L593	L491-I513 HydrophobicContact CD1-CB 4.27Å; L491-I513 HydrophobicContact CD1-CG2 3.68Å; V509-I513 HydrophobicContact CG1-CD1 4.05Å; V509-I513 WeakPolarHBondContact O-CG1 3.43Å; V509-I513 PolarHBondContact O-N 3.03Å; L510-I513 PolarHBondContact O-N 2.92Å; I513-K515 VanDerWaalsContact C-N 3.31Å; I513-K515 PolarHBondContact O-N 3.35Å; I513-T516 PolarHBondContact O-N 3.09Å; I513-I517 HydrophobicContact CG2-CD1 3.97Å; I513-I517 HydrophobicContact CG2-CG1 4.25Å; I513-I517 WeakPolarHBondContact O-CG1 3.45Å; I513-I517 PolarHBondContact O-N 2.96Å; I513-V586 HydrophobicContact CG2-CG1 4.26Å; I513-M589 HydrophobicContact CB-CE 4.47Å; I513-M589 HydrophobicContact CD1-CB 3.86Å; I513-M589 HydrophobicContact CG1-CB 3.65Å; I513-M589 HydrophobicContact CG1-CE 3.76Å; I513-M589 HydrophobicContact CG1-CG 4.43Å; I513-M589 HydrophobicContact CG1-SD 4.01Å; I513-L590 HydrophobicContact CD1-CD2 3.58Å; I513-L590 HydrophobicContact CD1-CG 3.97Å; I513-L593 HydrophobicContact CD1-CD1 4.38Å
514	R	87.1	Confident	83.9	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.015	24%	0.241	C	C	.	.	H	α-helix	trans	-55.8	-43	179.4	-74.8	-175.7	121.8	-163.7	11.4	112.7	A487 Q488 L510 Q511 A512 T516 C518 E525 D529	A487-R514 WeakPolarHBondContact O-CG 3.33Å; A487-R514 PolarHBondContact O-NE 2.91Å; A487-R514 VanDerWaalsContact O-NE 3.07Å; Q488-R514 PolarHBondContact O-NH2 2.88Å; L510-R514 PolarHBondContact O-N 3.47Å; Q511-R514 PolarHBondContact O-N 3.12Å; A512-R514 PolarHBondContact O-N 2.99Å; R514-T516 VanDerWaalsContact C-N 3.29Å; R514-T516 PolarHBondContact O-N 3.41Å; R514-C518 WeakPolarHBondContact O-CB 3.47Å; R514-C518 PolarHBondContact O-N 3.09Å; R514-C518 PolarHBondContact O-SG 3.49Å; R514-C518 VanDerWaalsContact O-SG 3.38Å; R514-E525 IonicContact CZ-OE1 3.28Å; R514-E525 IonicContact NE-OE1 2.7Å; R514-E525 IonicContact NH1-OE1 3.58Å; R514-E525 PolarHBondContact NH1-OE1 3.33Å; R514-D529 IonicContact NH2-OD2 3.75Å
515	K	82.5	Confident	83.9	Confident	116 Å²	116	42 Å²	42	50%	0.504	22%	0.224	S	C	.	.	H	α-helix	trans	-70	-21.5	177.6	-72	171.6	-175.8	176.5	0	114.2	Q511 A512 I513	Q511-K515 VanDerWaalsContact O-CB 3.3Å; Q511-K515 WeakPolarHBondContact O-CB 3.47Å; Q511-K515 WeakPolarHBondContact O-CG 3.46Å; Q511-K515 PolarHBondContact O-N 2.91Å; A512-K515 PolarHBondContact O-N 3.36Å; I513-K515 VanDerWaalsContact C-N 3.31Å; I513-K515 PolarHBondContact O-N 3.35Å
516	T	77.2	Confident	84	Confident	5 Å²	5	39 Å²	39	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-83.5	-32.1	178.7	-59.9	0	0	0	0	112.4	F52 A512 I513 R514 L582	F52-T516 HydrophobicContact CD1-CG2 4.38Å; A512-T516 WeakPolarHBondContact O-CB 3.27Å; A512-T516 PolarHBondContact O-N 3.18Å; A512-T516 PolarHBondContact O-OG1 3.37Å; I513-T516 PolarHBondContact O-N 3.09Å; R514-T516 VanDerWaalsContact C-N 3.29Å; R514-T516 PolarHBondContact O-N 3.41Å; T516-L582 HydrophobicContact CG2-CD2 3.54Å; T516-L582 VanDerWaalsContact O-CD2 3.27Å; T516-L582 WeakPolarHBondContact O-CD2 3.33Å
517	I	80.1	Confident	83.9	Confident	6 Å²	6	44.7 Å²	44.7	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-130.6	-16.7	-171.1	49.1	162.2	0	0	0	117.5	L483 Q484 A487 I513 D519 L582 V586	L483-I517 HydrophobicContact CD1-CD1 3.48Å; L483-I517 VanDerWaalsContact CD1-CD1 3.48Å; L483-I517 HydrophobicContact CD1-CG2 4.49Å; L483-I517 HydrophobicContact CD2-CB 4.31Å; L483-I517 HydrophobicContact CD2-CG2 4.1Å; L483-I517 HydrophobicContact CG-CB 4.38Å; L483-I517 HydrophobicContact CG-CD1 3.84Å; Q484-I517 PolarHBondContact NE2-O 3.29Å; Q484-I517 PolarHBondContact OE1-O 3.05Å; A487-I517 HydrophobicContact CB-CD1 3.5Å; A487-I517 HydrophobicContact CB-CG1 3.99Å; I513-I517 HydrophobicContact CG2-CD1 3.97Å; I513-I517 HydrophobicContact CG2-CG1 4.25Å; I513-I517 WeakPolarHBondContact O-CG1 3.45Å; I513-I517 PolarHBondContact O-N 2.96Å; I517-D519 PolarHBondContact O-N 2.9Å; I517-D519 VanDerWaalsContact O-N 3.09Å; I517-L582 HydrophobicContact CG2-CD2 4.28Å; I517-V586 HydrophobicContact CB-CG2 4.36Å; I517-V586 HydrophobicContact CD1-CG1 4.04Å; I517-V586 HydrophobicContact CD1-CG2 3.74Å; I517-V586 HydrophobicContact CG1-CG2 3.95Å; I517-V586 HydrophobicContact CG2-CG2 3.52Å
518	C	84.9	Confident	83.8	Confident	8 Å²	8	48 Å²	48	5%	0.054	26%	0.262	C	S	.	.			trans	-70.2	110.2	-176.6	-68.9	0	0	0	0	112	A487 Q488 R514 W520	A487-C518 VanDerWaalsContact CB-SG 3.56Å; Q488-C518 HydrophobicContact CG-CB 4.08Å; R514-C518 WeakPolarHBondContact O-CB 3.47Å; R514-C518 PolarHBondContact O-N 3.09Å; R514-C518 PolarHBondContact O-SG 3.49Å; R514-C518 VanDerWaalsContact O-SG 3.38Å; C518-W520 HydrophobicContact CB-CD2 4.13Å; C518-W520 VanDerWaalsContact CB-CE2 3.41Å; C518-W520 HydrophobicContact CB-CH2 4.32Å; C518-W520 HydrophobicContact CB-CZ2 3.54Å; C518-W520 PolarHBondContact O-N 3.29Å
519	D	83.6	Confident	83.8	Confident	27 Å²	27	45.8 Å²	45.8	14%	0.144	25%	0.246	C	C	.	.			trans	-93.1	90.1	166.5	-175.3	30.7	0	0	0	109.1	Y480 Q488 I517 P547 R549	Y480-D519 WeakPolarHBondContact OH-CB 3.39Å; Y480-D519 PolarHBondContact OH-OD2 3.29Å; Q488-D519 VanDerWaalsContact NE2-C 3.34Å; Q488-D519 PolarHBondContact NE2-O 3.05Å; I517-D519 PolarHBondContact O-N 2.9Å; I517-D519 VanDerWaalsContact O-N 3.09Å; D519-P547 WeakPolarHBondContact O-CD 3.49Å; D519-P547 WeakPolarHBondContact O-CG 3.49Å; D519-R549 IonicContact OD1-NH2 2.8Å; D519-R549 IonicContact OD2-CZ 3.19Å; D519-R549 VanDerWaalsContact OD2-CZ 3.22Å; D519-R549 IonicContact OD2-NE 2.8Å; D519-R549 PolarHBondContact OD2-NE 2.64Å; D519-R549 IonicContact OD2-NH2 2.74Å; D519-R549 PolarHBondContact OD2-NH2 3.27Å
520	W	85.3	Confident	83.9	Confident	25 Å²	25	46.1 Å²	46.1	10%	0.095	25%	0.249	C	C	.	.			trans	-70.5	137.4	-179.3	-54.6	100.6	0	0	0	111	Q488 C518 G522 G523 R524 E525 P526 I544	Q488-W520 HydrophobicContact CB-CE3 4.4Å; Q488-W520 HydrophobicContact CB-CH2 4.07Å; Q488-W520 HydrophobicContact CB-CZ3 3.68Å; Q488-W520 HydrophobicContact CG-CE3 3.92Å; Q488-W520 HydrophobicContact CG-CH2 3.92Å; Q488-W520 HydrophobicContact CG-CZ3 3.59Å; C518-W520 HydrophobicContact CB-CD2 4.13Å; C518-W520 VanDerWaalsContact CB-CE2 3.41Å; C518-W520 HydrophobicContact CB-CH2 4.32Å; C518-W520 HydrophobicContact CB-CZ2 3.54Å; C518-W520 PolarHBondContact O-N 3.29Å; W520-G522 PolarHBondContact O-N 2.87Å; W520-G523 WeakPolarHBondContact O-CA 3.41Å; W520-G523 PolarHBondContact O-N 3.41Å; W520-R524 VanDerWaalsContact CB-O 3.28Å; W520-R524 WeakPolarHBondContact CB-O 3.37Å; W520-E525 HydrophobicContact CD2-CB 4.4Å; W520-E525 HydrophobicContact CH2-CG 4.2Å; W520-E525 HydrophobicContact CZ2-CB 3.97Å; W520-E525 HydrophobicContact CZ2-CG 3.64Å; W520-P526 HydrophobicContact CE3-CG 4.23Å; W520-P526 HydrophobicContact CZ3-CG 4.38Å; W520-I544 HydrophobicContact CE3-CG2 4.48Å; W520-I544 HydrophobicContact CZ3-CD1 4.25Å; W520-I544 HydrophobicContact CZ3-CG2 4.2Å
521	E	81.5	Confident	83.9	Confident	108 Å²	108	46.2 Å²	46.2	51%	0.505	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-37	179.9	-176.2	170	-140.4	0	0	112.7	G523 K545	E521-G523 VanDerWaalsContact C-N 3.28Å; E521-G523 PolarHBondContact O-N 3.22Å; E521-K545 IonicContact OE1-NZ 2.75Å; E521-K545 PolarHBondContact OE1-NZ 2.69Å; E521-K545 VanDerWaalsContact OE2-CD 3.32Å; E521-K545 WeakPolarHBondContact OE2-CD 3.47Å; E521-K545 VanDerWaalsContact OE2-CG 3.27Å; E521-K545 WeakPolarHBondContact OE2-CG 3.48Å; E521-K545 IonicContact OE2-NZ 3.45Å; E521-K545 PolarHBondContact OE2-NZ 3.42Å
522	G	76.2	Confident	84	Confident	65 Å²	65	45.7 Å²	45.7	67%	0.67	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	8	174	0	0	0	0	0	115.6	W520 R524	W520-G522 PolarHBondContact O-N 2.87Å; G522-R524 PolarHBondContact O-N 3.3Å
523	G	80.1	Confident	84.1	Confident	27 Å²	27	52.4 Å²	52.4	28%	0.278	27%	0.272	S	S	.	.	S	Bend	trans	70.1	0.7	-176.2	0	0	0	0	0	115.6	W520 E521	W520-G523 WeakPolarHBondContact O-CA 3.41Å; W520-G523 PolarHBondContact O-N 3.41Å; E521-G523 VanDerWaalsContact C-N 3.28Å; E521-G523 PolarHBondContact O-N 3.22Å
524	R	83.2	Confident	84.1	Confident	196 Å²	196	52.7 Å²	52.7	74%	0.74	28%	0.276	S	S	*	.	S	Bend	trans	-145.2	146.4	-174.9	-49	-178	-165	-163.9	4	110.3	W520 G522	W520-R524 VanDerWaalsContact CB-O 3.28Å; W520-R524 WeakPolarHBondContact CB-O 3.37Å; G522-R524 PolarHBondContact O-N 3.3Å
525	E	85.4	Confident	84.2	Confident	61 Å²	61	57 Å²	57	29%	0.285	30%	0.296	S	S	.	.			trans	-61	131.2	174.4	-176.7	168.9	-138.3	0	0	110.3	R514 W520 P527 L532	R514-E525 IonicContact CZ-OE1 3.28Å; R514-E525 IonicContact NE-OE1 2.7Å; R514-E525 IonicContact NH1-OE1 3.58Å; R514-E525 PolarHBondContact NH1-OE1 3.33Å; W520-E525 HydrophobicContact CD2-CB 4.4Å; W520-E525 HydrophobicContact CH2-CG 4.2Å; W520-E525 HydrophobicContact CZ2-CB 3.97Å; W520-E525 HydrophobicContact CZ2-CG 3.64Å; E525-P527 WeakPolarHBondContact O-CD 3.37Å; E525-P527 VanDerWaalsContact O-N 3.09Å; E525-L532 HydrophobicContact CG-CD1 4.37Å
526	P	86.5	Confident	84.4	Confident	27 Å²	27	59.1 Å²	59.1	18%	0.175	31%	0.305	C	S	.	.			trans	-59	109.9	-179	-26.4	34.8	0	0	0	112.2	W520 N528 D529 F542	W520-P526 HydrophobicContact CE3-CG 4.23Å; W520-P526 HydrophobicContact CZ3-CG 4.38Å; P526-N528 WeakPolarHBondContact CB-OD1 3.42Å; P526-N528 PolarHBondContact O-N 2.95Å; P526-N528 VanDerWaalsContact O-N 3.14Å; P526-D529 PolarHBondContact O-N 2.56Å; P526-F542 HydrophobicContact CB-CZ 4.35Å
527	P	82.3	Confident	84.9	Confident	123 Å²	123	61.7 Å²	61.7	80%	0.799	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-10.7	-173.4	31.1	-36.3	0	0	0	113	E525	E525-P527 WeakPolarHBondContact O-CD 3.37Å; E525-P527 VanDerWaalsContact O-N 3.09Å
528	N	85.7	Confident	85.1	Confident	95 Å²	95	65 Å²	65	51%	0.508	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-6.5	178.9	59.8	-31.1	0	0	0	113.9	P526 P530	P526-N528 WeakPolarHBondContact CB-OD1 3.42Å; P526-N528 PolarHBondContact O-N 2.95Å; P526-N528 VanDerWaalsContact O-N 3.14Å; N528-P530 WeakPolarHBondContact O-CD 3.44Å
529	D	86.5	Confident	84.7	Confident	1 Å²	1	75.6 Å²	75.6	1%	0.005	39%	0.386	C	S	.	.			trans	-57.8	119.3	-178	-173	-19	0	0	0	111.4	R492 R514 P526 C531 L532 F542	R492-D529 IonicContact CZ-OD1 3.92Å; R492-D529 IonicContact CZ-OD2 3.27Å; R492-D529 IonicContact NE-OD1 2.82Å; R492-D529 PolarHBondContact NE-OD1 3.32Å; R492-D529 IonicContact NE-OD2 3.44Å; R492-D529 PolarHBondContact NE-OD2 3.02Å; R492-D529 IonicContact NH2-OD1 3.23Å; R492-D529 PolarHBondContact NH2-OD1 3.42Å; R492-D529 IonicContact NH2-OD2 2.94Å; R514-D529 IonicContact NH2-OD2 3.75Å; P526-D529 PolarHBondContact O-N 2.56Å; D529-C531 PolarHBondContact O-N 3.03Å; D529-C531 VanDerWaalsContact O-N 3.13Å; D529-C531 VanDerWaalsContact OD1-CB 3.3Å; D529-C531 WeakPolarHBondContact OD1-CB 3.5Å; D529-C531 PolarHBondContact OD1-N 3.17Å; D529-C531 PolarHBondContact OD1-SG 3.44Å; D529-C531 PolarHBondContact OD2-SG 2.95Å; D529-L532 HydrophobicContact CB-CD1 4.26Å; D529-L532 HydrophobicContact CB-CG 4.27Å; D529-L532 PolarHBondContact O-N 2.78Å; D529-F542 HydrophobicContact CB-CE1 3.82Å; D529-F542 HydrophobicContact CB-CZ 3.95Å
530	P	88.1	Confident	84.1	Confident	10 Å²	10	78.3 Å²	78.3	7%	0.065	42%	0.42	C	S	.	.	H	α-helix	trans	-54.3	-29.5	176.4	-26.7	35.6	0	0	0	113.7	N528 L532 R533 G534 E535 F542	N528-P530 WeakPolarHBondContact O-CD 3.44Å; P530-L532 VanDerWaalsContact C-N 3.27Å; P530-L532 PolarHBondContact O-N 3.24Å; P530-R533 PolarHBondContact O-N 3.35Å; P530-R533 VanDerWaalsContact O-N 3.08Å; P530-G534 PolarHBondContact O-N 3.07Å; P530-E535 CarbonylContact C-O 3.57Å; P530-E535 HydrophobicContact CB-CB 4.06Å; P530-E535 PolarHBondContact O-N 3.27Å; P530-F542 HydrophobicContact CG-CB 4.5Å; P530-F542 HydrophobicContact CG-CD2 4.23Å; P530-F542 HydrophobicContact CG-CG 4.44Å
531	C	88.7	Confident	83.8	Confident	1 Å²	1	79.1 Å²	79.1	1%	0.007	44%	0.437	C	S	.	.	H	α-helix	trans	-61.5	-35	-178.1	88.4	0	0	0	0	112.5	R492 R496 D529 R533 G534	R492-C531 HydrophobicContact CB-CB 4.14Å; R496-C531 WeakPolarHBondContact CA-O 3.47Å; R496-C531 HydrophobicContact CB-CB 3.88Å; R496-C531 HydrophobicContact CG-CB 4.48Å; D529-C531 PolarHBondContact O-N 3.03Å; D529-C531 VanDerWaalsContact O-N 3.13Å; D529-C531 VanDerWaalsContact OD1-CB 3.3Å; D529-C531 WeakPolarHBondContact OD1-CB 3.5Å; D529-C531 PolarHBondContact OD1-N 3.17Å; D529-C531 PolarHBondContact OD1-SG 3.44Å; D529-C531 PolarHBondContact OD2-SG 2.95Å; C531-R533 PolarHBondContact O-N 3.42Å; C531-G534 PolarHBondContact O-N 2.92Å
532	L	87.4	Confident	83.9	Confident	50 Å²	50	75.9 Å²	75.9	26%	0.262	42%	0.421	S	S	.	.	H	α-helix	trans	-67	-23.4	179.5	-63.6	176.9	0	0	0	112.5	L495 E525 D529 P530	L495-L532 HydrophobicContact CD2-CD2 3.99Å; E525-L532 HydrophobicContact CG-CD1 4.37Å; D529-L532 HydrophobicContact CB-CD1 4.26Å; D529-L532 HydrophobicContact CB-CG 4.27Å; D529-L532 PolarHBondContact O-N 2.78Å; P530-L532 VanDerWaalsContact C-N 3.27Å; P530-L532 PolarHBondContact O-N 3.24Å
533	R	87	Confident	84.3	Confident	145 Å²	145	79.8 Å²	79.8	55%	0.547	43%	0.426	S	S	.	.	H	α-helix	trans	-95.7	-5	174	-68.5	179.6	-78.4	166.2	-5.6	113.3	P530 C531 E535	P530-R533 PolarHBondContact O-N 3.35Å; P530-R533 VanDerWaalsContact O-N 3.08Å; C531-R533 PolarHBondContact O-N 3.42Å; R533-E535 HydrophobicContact CB-CG 4.02Å; R533-E535 IonicContact CZ-OE2 3.4Å; R533-E535 VanDerWaalsContact CZ-OE2 3.28Å; R533-E535 IonicContact NE-OE2 2.73Å; R533-E535 IonicContact NH1-OE1 3.46Å; R533-E535 IonicContact NH1-OE2 3.63Å; R533-E535 PolarHBondContact NH1-OE2 3.24Å; R533-E535 IonicContact NH2-OE2 3.61Å; R533-E535 PolarHBondContact O-N 2.94Å
534	G	86	Confident	84.5	Confident	7 Å²	7	79.5 Å²	79.5	7%	0.072	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	7.2	-173.1	0	0	0	0	0	114.3	P530 C531	P530-G534 PolarHBondContact O-N 3.07Å; C531-G534 PolarHBondContact O-N 2.92Å
535	E	89	Confident	84.7	Confident	94 Å²	94	76.6 Å²	76.6	44%	0.439	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-80.3	150.7	179.5	-67.3	172.1	180	0	0	110.5	R496 P530 R533	R496-E535 WeakPolarHBondContact CD-O 3.48Å; R496-E535 VanDerWaalsContact CG-O 3.31Å; R496-E535 WeakPolarHBondContact CG-O 3.29Å; P530-E535 CarbonylContact C-O 3.57Å; P530-E535 HydrophobicContact CB-CB 4.06Å; P530-E535 PolarHBondContact O-N 3.27Å; R533-E535 HydrophobicContact CB-CG 4.02Å; R533-E535 IonicContact CZ-OE2 3.4Å; R533-E535 VanDerWaalsContact CZ-OE2 3.28Å; R533-E535 IonicContact NE-OE2 2.73Å; R533-E535 IonicContact NH1-OE1 3.46Å; R533-E535 IonicContact NH1-OE2 3.63Å; R533-E535 PolarHBondContact NH1-OE2 3.24Å; R533-E535 IonicContact NH2-OE2 3.61Å; R533-E535 PolarHBondContact O-N 2.94Å
536	K	87.9	Confident	84.8	Confident	160 Å²	160	74.8 Å²	74.8	70%	0.696	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-73	154.5	170.5	-76.9	-171.5	173.7	-169.5	0	110.1
537	D	87.8	Confident	84.8	Confident	59 Å²	59	74.2 Å²	74.2	32%	0.316	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-56.8	147.8	168.5	-67.1	-7	0	0	0	111	R492 F542	R492-D537 IonicContact CZ-OD1 2.76Å; R492-D537 IonicContact CZ-OD2 3.56Å; R492-D537 IonicContact NH1-OD1 3.49Å; R492-D537 IonicContact NH1-OD2 3.51Å; R492-D537 PolarHBondContact NH1-OD2 2.96Å; R492-D537 IonicContact NH2-OD1 3.7Å; R492-D537 PolarHBondContact NH2-OD1 3.38Å; R492-D537 IonicContact NH2-OD2 3.68Å; R492-D537 PolarHBondContact NH2-OD2 3.05Å; D537-F542 HydrophobicContact CB-CB 4.18Å
538	P	84	Confident	84.9	Confident	77 Å²	77	72.7 Å²	72.7	50%	0.5	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-65.5	168.9	178	30.4	-35.7	0	0	0	110.6	G540 G541	P538-G540 PolarHBondContact O-N 3.09Å; P538-G541 VanDerWaalsContact CG-O 3.28Å; P538-G541 WeakPolarHBondContact CG-O 3.49Å; P538-G541 PolarHBondContact O-N 2.97Å
539	K	75.6	Confident	84.5	Confident	230 Å²	230	73.3 Å²	73.3	100%	1	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-19.9	-176.9	-71	-173.1	177.4	-177.8	0	114.9
540	G	72.6	Confident	83.7	Confident	83 Å²	83	75.3 Å²	75.3	86%	0.856	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	6.7	174.3	0	0	0	0	0	115.2	P538	P538-G540 PolarHBondContact O-N 3.09Å
541	G	77.2	Confident	82.5	Confident	43 Å²	43	76.5 Å²	76.5	44%	0.443	40%	0.397	S	S	.	.			trans	80.4	169.4	-173.2	0	0	0	0	0	114	P538	P538-G541 VanDerWaalsContact CG-O 3.28Å; P538-G541 WeakPolarHBondContact CG-O 3.49Å; P538-G541 PolarHBondContact O-N 2.97Å
542	F	85.6	Confident	80.8	Confident	40 Å²	40	76.8 Å²	76.8	18%	0.175	40%	0.4	C	S	.	.			trans	-124.7	110	166.4	-176.1	-89.8	0	0	0	107.7	P526 D529 P530 D537 I544	P526-F542 HydrophobicContact CB-CZ 4.35Å; D529-F542 HydrophobicContact CB-CE1 3.82Å; D529-F542 HydrophobicContact CB-CZ 3.95Å; P530-F542 HydrophobicContact CG-CB 4.5Å; P530-F542 HydrophobicContact CG-CD2 4.23Å; P530-F542 HydrophobicContact CG-CG 4.44Å; D537-F542 HydrophobicContact CB-CB 4.18Å; F542-I544 HydrophobicContact CD1-CD1 4.4Å; F542-I544 HydrophobicContact CD1-CG1 3.97Å; F542-I544 HydrophobicContact CE1-CD1 4Å; F542-I544 HydrophobicContact CE1-CG1 3.7Å
543	D	83.4	Confident	79	Confident	147 Å²	147	74.7 Å²	74.7	79%	0.786	39%	0.39	S	S	*	.			trans	-90.8	142.7	-176.6	-172.1	26.2	0	0	0	111.5
544	I	85.6	Confident	76.9	Confident	20 Å²	20	69.1 Å²	69.1	10%	0.103	37%	0.373	C	S	.	.			trans	-128.6	110	173.5	-58.9	-172	0	0	0	107.2	Q488 W520 F542 V546	Q488-I544 HydrophobicContact CB-CG2 4.5Å; W520-I544 HydrophobicContact CE3-CG2 4.48Å; W520-I544 HydrophobicContact CZ3-CD1 4.25Å; W520-I544 HydrophobicContact CZ3-CG2 4.2Å; F542-I544 HydrophobicContact CD1-CD1 4.4Å; F542-I544 HydrophobicContact CD1-CG1 3.97Å; F542-I544 HydrophobicContact CE1-CD1 4Å; F542-I544 HydrophobicContact CE1-CG1 3.7Å; I544-V546 PolarHBondContact O-N 3.33Å; I544-V546 VanDerWaalsContact O-N 3.09Å
545	K	86.3	Confident	74.6	Confident	136 Å²	136	70.3 Å²	70.3	59%	0.591	38%	0.38	S	S	*	.			trans	-70.7	105.9	172.5	-174.1	162.5	169.1	-102.7	0	109.8	E521	E521-K545 IonicContact OE1-NZ 2.75Å; E521-K545 PolarHBondContact OE1-NZ 2.69Å; E521-K545 VanDerWaalsContact OE2-CD 3.32Å; E521-K545 WeakPolarHBondContact OE2-CD 3.47Å; E521-K545 VanDerWaalsContact OE2-CG 3.27Å; E521-K545 WeakPolarHBondContact OE2-CG 3.48Å; E521-K545 IonicContact OE2-NZ 3.45Å; E521-K545 PolarHBondContact OE2-NZ 3.42Å
546	V	87.5	Confident	72.1	Confident	22 Å²	22	71.4 Å²	71.4	13%	0.133	39%	0.393	C	S	.	.			trans	-82.2	129.8	177.6	-172.8	0	0	0	0	108.8	Q484 D485 Q488 V489 I544	Q484-V546 HydrophobicContact CB-CG1 3.33Å; Q484-V546 HydrophobicContact CG-CG1 4.4Å; D485-V546 WeakPolarHBondContact OD1-CB 3.26Å; D485-V546 WeakPolarHBondContact OD1-CG1 3.32Å; Q488-V546 HydrophobicContact CB-CG2 4.23Å; V489-V546 HydrophobicContact CG2-CG2 3.68Å; I544-V546 PolarHBondContact O-N 3.33Å; I544-V546 VanDerWaalsContact O-N 3.09Å
547	P	86.4	Confident	69.5	Low	15 Å²	15	66.4 Å²	66.4	10%	0.097	37%	0.372	C	S	.	.			trans	-66.6	157.6	175.8	26.3	-32.8	0	0	0	111.5	Y480 D519	Y480-P547 HydrophobicContact CE1-CG 4.37Å; Y480-P547 WeakPolarHBondContact CE1-O 3.27Å; D519-P547 WeakPolarHBondContact O-CD 3.49Å; D519-P547 WeakPolarHBondContact O-CG 3.49Å
548	R	84.5	Confident	66.7	Low	92 Å²	92	65.9 Å²	65.9	35%	0.347	38%	0.377	S	S	.	.			trans	-113.8	133.2	166	-62.7	-57.1	-171.3	-140.3	15.3	109.3	D383 D485	D383-R548 WeakPolarHBondContact OD1-CD 3.38Å; D383-R548 IonicContact OD1-CZ 3.39Å; D383-R548 IonicContact OD1-NE 2.73Å; D383-R548 PolarHBondContact OD1-NE 3.11Å; D383-R548 IonicContact OD2-CZ 3.8Å; D383-R548 IonicContact OD2-NE 2.93Å; D383-R548 PolarHBondContact OD2-NE 3.41Å; D383-R548 IonicContact OD2-NH2 3.8Å; D383-R548 PolarHBondContact OD2-NH2 3.32Å; D485-R548 IonicContact OD1-CZ 2.71Å; D485-R548 IonicContact OD1-NH1 3.6Å; D485-R548 PolarHBondContact OD1-NH1 3.11Å; D485-R548 IonicContact OD1-NH2 2.77Å; D485-R548 IonicContact OD2-CZ 3.01Å; D485-R548 IonicContact OD2-NH1 3.19Å; D485-R548 PolarHBondContact OD2-NH1 3.38Å; D485-R548 VanDerWaalsContact OD2-NH1 3.09Å; D485-R548 IonicContact OD2-NH2 2.74Å; D485-R548 PolarHBondContact OD2-NH2 3.02Å
549	R	77.2	Confident	64.1	Low	108 Å²	108	67 Å²	67	41%	0.408	39%	0.385	S	S	.	.			trans	-145.4	140.2	179.6	-61.3	-169.5	-168.8	-83.1	6.7	111.5	N477 Y480 D519 V551	N477-R549 PolarHBondContact OD1-O 2.71Å; Y480-R549 WeakPolarHBondContact CB-O 3.43Å; Y480-R549 HydrophobicContact CD1-CB 3.97Å; Y480-R549 HydrophobicContact CD2-CB 4.21Å; Y480-R549 HydrophobicContact CE1-CB 3.76Å; Y480-R549 HydrophobicContact CE1-CG 3.81Å; Y480-R549 HydrophobicContact CE2-CB 4.01Å; Y480-R549 HydrophobicContact CE2-CG 4.2Å; Y480-R549 HydrophobicContact CG-CB 4.18Å; Y480-R549 WeakPolarHBondContact OH-CD 3.44Å; Y480-R549 PolarHBondContact OH-NE 2.85Å; D519-R549 IonicContact OD1-NH2 2.8Å; D519-R549 IonicContact OD2-CZ 3.19Å; D519-R549 VanDerWaalsContact OD2-CZ 3.22Å; D519-R549 IonicContact OD2-NE 2.8Å; D519-R549 PolarHBondContact OD2-NE 2.64Å; D519-R549 IonicContact OD2-NH2 2.74Å; D519-R549 PolarHBondContact OD2-NH2 3.27Å; R549-V551 HydrophobicContact CB-CG1 3.52Å; R549-V551 HydrophobicContact CG-CG1 4.42Å; R549-V551 PolarHBondContact O-N 3.11Å
550	A	69.5	Low	61.8	Low	42 Å²	42	63.1 Å²	63.1	35%	0.347	37%	0.37	S	S	.	.	S	Bend	trans	-78.3	46	176.7	0	0	0	0	0	113.6	N477	N477-A550 WeakPolarHBondContact ND2-CB 3.38Å; N477-A550 VanDerWaalsContact OD1-CA 3.25Å; N477-A550 WeakPolarHBondContact OD1-CA 3.45Å; N477-A550 PolarHBondContact OD1-N 3.44Å; N477-A550 VanDerWaalsContact OD1-N 3.14Å
551	V	62.7	Low	59.7	Low	35 Å²	35	70.2 Å²	70.2	21%	0.212	37%	0.371	C	S	.	.			trans	-140.8	113.1	-171.7	64.1	0	0	0	0	109.7	Y480 R549	Y480-V551 WeakPolarHBondContact CB-O 3.37Å; Y480-V551 HydrophobicContact CD2-CG1 3.97Å; Y480-V551 VanDerWaalsContact CD2-O 3.31Å; Y480-V551 WeakPolarHBondContact CD2-O 3.45Å; Y480-V551 HydrophobicContact CE2-CG1 4.13Å; R549-V551 HydrophobicContact CB-CG1 3.52Å; R549-V551 HydrophobicContact CG-CG1 4.42Å; R549-V551 PolarHBondContact O-N 3.11Å
552	G	53.9	Low	57.4	Low	7 Å²	7	73.3 Å²	73.3	7%	0.072	39%	0.386	C	S	.	.			trans	-59.9	150.6	165.5	0	0	0	0	0	109.2	S554	G552-S554 PolarHBondContact O-N 3.34Å
553	P	49.5	Very low	54.7	Low	7 Å²	7	77.2 Å²	77.2	5%	0.045	42%	0.416	C	S	.	.			trans	-54.6	97.7	-169.6	22.3	-34.9	0	0	0	111.8	L483 C579 L582	L483-P553 HydrophobicContact CD2-CB 3.82Å; L483-P553 HydrophobicContact CD2-CG 3.99Å; P553-C579 PolarHBondContact O-SG 3.16Å; P553-L582 HydrophobicContact CB-CB 4.43Å; P553-L582 HydrophobicContact CB-CD1 4.12Å
554	S	43.7	Very low	52.1	Low	28 Å²	28	81.7 Å²	81.7	20%	0.196	42%	0.422	C	S	.	.			trans	-84.4	157.3	-169.2	74.7	0	0	0	0	111.3	G552 T556 Q557 L582	G552-S554 PolarHBondContact O-N 3.34Å; S554-T556 PolarHBondContact O-N 3.28Å; S554-Q557 PolarHBondContact O-N 3.03Å; S554-Q557 VanDerWaalsContact OG-CD 3.28Å; S554-Q557 WeakPolarHBondContact OG-CG 3.42Å; S554-Q557 PolarHBondContact OG-OE1 3.44Å; S554-L582 WeakPolarHBondContact O-CD1 3.37Å
555	S	36.8	Very low	49.5	Very low	32 Å²	32	85.1 Å²	85.1	22%	0.224	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	5.4	-176.8	48.2	0	0	0	0	117.3	R577 G578	S555-R577 WeakPolarHBondContact CB-O 3.35Å; S555-R577 PolarHBondContact OG-O 3.04Å; S555-G578 WeakPolarHBondContact CB-O 3.49Å; S555-G578 PolarHBondContact N-O 3.24Å; S555-G578 PolarHBondContact OG-N 2.85Å; S555-G578 PolarHBondContact OG-O 3.23Å
556	T	35.6	Very low	47	Very low	116 Å²	116	86.8 Å²	86.8	71%	0.712	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.7	-0.9	-176.5	53.3	0	0	0	0	115.2	S554 A558	S554-T556 PolarHBondContact O-N 3.28Å; T556-A558 PolarHBondContact O-N 3.32Å; T556-A558 VanDerWaalsContact O-N 3.09Å
557	Q	34.6	Very low	44.3	Very low	55 Å²	55	94.6 Å²	94.6	26%	0.257	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	80.8	-172.8	-84	174.4	-22.6	0	0	114.3	S554	S554-Q557 PolarHBondContact O-N 3.03Å; S554-Q557 VanDerWaalsContact OG-CD 3.28Å; S554-Q557 WeakPolarHBondContact OG-CG 3.42Å; S554-Q557 PolarHBondContact OG-OE1 3.44Å
558	A	29.5	Very low	41.7	Very low	49 Å²	49	102.8 Å²	102.8	41%	0.405	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	171.9	55	141.8	0	0	0	0	0	112.4	T556	T556-A558 PolarHBondContact O-N 3.32Å; T556-A558 VanDerWaalsContact O-N 3.09Å
559	C	28.2	Very low	39.3	Very low	100 Å²	100	103 Å²	103	68%	0.676	55%	0.55	S	S	*	.			trans	-143.9	83.7	171.7	-145	0	0	0	0	113.2	W561	C559-W561 VanDerWaalsContact C-N 3.33Å; C559-W561 PolarHBondContact O-N 3.03Å
560	Q	27.2	Very low	37.1	Very low	148 Å²	148	104.8 Å²	104.8	69%	0.692	57%	0.573	S	S	*	*			trans	-78.7	77.8	173.5	-165.7	-176.9	64.4	0	0	110.1
561	W	29.3	Very low	35.1	Very low	232 Å²	232	106.9 Å²	106.9	88%	0.879	60%	0.599	S	S	*	*			trans	-113.3	142.7	173	-82.3	73	0	0	0	112.5	C559	C559-W561 VanDerWaalsContact C-N 3.33Å; C559-W561 PolarHBondContact O-N 3.03Å
562	S	29.1	Very low	33.4	Very low	108 Å²	108	108.6 Å²	108.6	76%	0.755	62%	0.623	S	S	*	*			trans	-66.9	139.5	-162.9	-172.2	0	0	0	0	114.6	R564	S562-R564 PolarHBondContact O-N 3.14Å
563	P	28.5	Very low	32.1	Very low	122 Å²	122	115.6 Å²	115.6	79%	0.792	66%	0.664	S	S	*	*			trans	-82.1	96.9	-179.6	32.6	-34.1	0	0	0	112.4
564	R	28.1	Very low	31	Very low	242 Å²	242	124.3 Å²	124.3	91%	0.913	71%	0.705	S	S	*	*			trans	-164.1	89.7	163.9	-116.1	177.5	-173.4	-173.2	2.2	113.3	S562	S562-R564 PolarHBondContact O-N 3.14Å
565	A	31.7	Very low	30.2	Very low	92 Å²	92	126.4 Å²	126.4	76%	0.76	73%	0.731	S	S	*	*			trans	176.5	129.8	138.8	0	0	0	0	0	113.2
566	L	33.4	Very low	29.8	Very low	170 Å²	170	136 Å²	136	89%	0.89	76%	0.762	S	S	*	*			trans	66.1	94	147.9	-68.4	160.4	0	0	0	120.7
567	F	30.3	Very low	30	Very low	187 Å²	187	138 Å²	138	82%	0.82	76%	0.757	S	S	*	*			trans	-32.7	138.5	148.4	-73.6	-108.3	0	0	0	116.3
568	H	32.6	Very low	30.3	Very low	187 Å²	187	135.7 Å²	135.7	87%	0.866	75%	0.748	S	S	*	*				-158.2	129.8	111.8	-118.2	-69.1	0	0	0	111.1
569	P	32.8	Very low	31	Very low	96 Å²	96	134.5 Å²	134.5	62%	0.623	74%	0.736	S	S	*	*			trans	-111.3	125.1	-179.4	35.9	-26.6	0	0	0	113.5
570	T	32.2	Very low	32.2	Very low	146 Å²	146	133.2 Å²	133.2	90%	0.896	72%	0.717	S	S	*	*			trans	-163.5	119.6	155.9	25.6	0	0	0	0	112.5
571	G	26.4	Very low	33.6	Very low	86 Å²	86	126.2 Å²	126.2	89%	0.887	68%	0.684	S	S	*	*			trans	84.6	128.6	151.6	0	0	0	0	0	118.6
572	G	27.1	Very low	35.3	Very low	70 Å²	70	115.4 Å²	115.4	72%	0.722	64%	0.644	S	S	*	*			trans	114.1	101.1	161.4	0	0	0	0	0	115.1	Q574	G572-Q574 PolarHBondContact O-N 3.13Å
573	T	26.5	Very low	37.5	Very low	154 Å²	154	110.6 Å²	110.6	95%	0.945	61%	0.61	S	S	*	*			trans	-68.5	87.9	170.4	35.8	0	0	0	0	111.6
574	Q	26.8	Very low	39.8	Very low	191 Å²	191	105.8 Å²	105.8	89%	0.893	58%	0.576	S	S	*	*			trans	-135.5	127.4	170.1	-68.5	-175	-8.4	0	0	110	G572	G572-Q574 PolarHBondContact O-N 3.13Å
575	G	26.8	Very low	42.2	Very low	72 Å²	72	94.5 Å²	94.5	74%	0.742	53%	0.534	S	S	*	.			trans	156.2	95.2	170	0	0	0	0	0	115.9
576	R	29.6	Very low	44.7	Very low	233 Å²	233	90.1 Å²	90.1	88%	0.879	50%	0.497	S	S	*	.			trans	-178.9	88.7	148.6	-99.3	159.7	-166.2	-156.4	4	108.7
577	R	39.2	Very low	47.3	Very low	158 Å²	158	83.6 Å²	83.6	60%	0.596	46%	0.461	S	S	*	.			trans	-145.1	147.6	170.8	-54	-175.9	-175.1	174.2	-3.1	106.7	T44 E47 S555	T44-R577 HydrophobicContact CG2-CB 3.54Å; T44-R577 HydrophobicContact CG2-CG 4.45Å; E47-R577 IonicContact OE1-NH1 3.91Å; E47-R577 PolarHBondContact OE1-NH1 3.45Å; E47-R577 IonicContact OE2-CZ 3.09Å; E47-R577 IonicContact OE2-NH1 3.37Å; E47-R577 PolarHBondContact OE2-NH1 3.11Å; S555-R577 WeakPolarHBondContact CB-O 3.35Å; S555-R577 PolarHBondContact OG-O 3.04Å
578	G	40.1	Very low	49.9	Very low	7 Å²	7	74.8 Å²	74.8	7%	0.072	42%	0.423	C	S	.	.			cis	-155.2	-151.3	-8.8	0	0	0	0	0	107.8	F42 S555	F42-G578 CarbonylContact O-C 3.49Å; F42-G578 WeakPolarHBondContact O-CA 3.28Å; S555-G578 WeakPolarHBondContact CB-O 3.49Å; S555-G578 PolarHBondContact N-O 3.24Å; S555-G578 PolarHBondContact OG-N 2.85Å; S555-G578 PolarHBondContact OG-O 3.23Å
579	C	45.6	Very low	52.4	Low	24 Å²	24	65.9 Å²	65.9	16%	0.162	38%	0.381	C	S	.	.	S	Bend	trans	-141.1	-18.3	-176.4	-152.4	0	0	0	0	117	F42 P553	F42-C579 PolarHBondContact O-N 3.28Å; P553-C579 PolarHBondContact O-SG 3.16Å
580	R	53.7	Low	55.1	Low	72 Å²	72	61.3 Å²	61.3	27%	0.272	35%	0.352	S	S	.	.	H	α-helix	trans	-78.8	-28.8	-165.9	-65.1	-164.7	-177.3	179.2	-8.9	115.9	D43 L582 L583 Y584 T627	D43-R580 VanDerWaalsContact CG-CD 3.48Å; D43-R580 WeakPolarHBondContact OD1-CD 3.44Å; D43-R580 WeakPolarHBondContact OD2-CD 3.32Å; D43-R580 IonicContact OD2-CZ 3Å; D43-R580 IonicContact OD2-NE 3.71Å; D43-R580 PolarHBondContact OD2-NE 3.06Å; D43-R580 IonicContact OD2-NH1 3.64Å; D43-R580 PolarHBondContact OD2-NH1 3.46Å; R580-L582 PolarHBondContact O-N 3.37Å; R580-L583 PolarHBondContact O-N 2.61Å; R580-Y584 WeakPolarHBondContact O-CB 3.39Å; R580-Y584 PolarHBondContact O-N 3.09Å; R580-T627 HydrophobicContact CG-CG2 4.12Å; R580-T627 VanDerWaalsContact NE-CG2 3.28Å
581	S	56.7	Low	57.8	Low	1 Å²	1	54.9 Å²	54.9	1%	0.007	31%	0.311	C	S	.	.	H	α-helix	trans	-64.2	-44.3	-171.3	-59.4	0	0	0	0	114.1	F46 D48 Y584 M585	F46-S581 WeakPolarHBondContact CA-OG 3.28Å; D48-S581 VanDerWaalsContact CG-OG 3.25Å; D48-S581 WeakPolarHBondContact OD1-CB 3.49Å; D48-S581 PolarHBondContact OD1-OG 3.2Å; D48-S581 VanDerWaalsContact OD2-CB 3.29Å; D48-S581 WeakPolarHBondContact OD2-CB 3.4Å; D48-S581 PolarHBondContact OD2-OG 3.17Å; S581-Y584 PolarHBondContact O-N 2.79Å; S581-M585 WeakPolarHBondContact O-CB 3.41Å; S581-M585 VanDerWaalsContact O-CG 3.26Å; S581-M585 WeakPolarHBondContact O-CG 3.43Å; S581-M585 PolarHBondContact O-N 3.34Å
582	L	63.9	Low	60.7	Low	6 Å²	6	51.1 Å²	51.1	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-57.5	-52.6	176.7	-80.2	169.4	0	0	0	111.6	F52 T516 I517 P553 S554 R580 Y584 M585 V586	F52-L582 HydrophobicContact CD1-CD2 3.77Å; F52-L582 HydrophobicContact CE1-CD1 4.41Å; F52-L582 HydrophobicContact CE1-CD2 3.27Å; F52-L582 HydrophobicContact CE1-CG 3.79Å; F52-L582 HydrophobicContact CE2-CD2 4.45Å; F52-L582 HydrophobicContact CE2-CG 4.39Å; F52-L582 HydrophobicContact CZ-CD1 4.34Å; F52-L582 HydrophobicContact CZ-CD2 3.67Å; F52-L582 HydrophobicContact CZ-CG 3.65Å; T516-L582 HydrophobicContact CG2-CD2 3.54Å; T516-L582 VanDerWaalsContact O-CD2 3.27Å; T516-L582 WeakPolarHBondContact O-CD2 3.33Å; I517-L582 HydrophobicContact CG2-CD2 4.28Å; P553-L582 HydrophobicContact CB-CB 4.43Å; P553-L582 HydrophobicContact CB-CD1 4.12Å; S554-L582 WeakPolarHBondContact O-CD1 3.37Å; R580-L582 PolarHBondContact O-N 3.37Å; L582-Y584 PolarHBondContact O-N 2.92Å; L582-M585 PolarHBondContact O-N 3.35Å; L582-V586 WeakPolarHBondContact O-CG2 3.5Å; L582-V586 PolarHBondContact O-N 3.28Å
583	L	76	Confident	63.6	Low	6 Å²	6	47.8 Å²	47.8	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-64.2	-40.9	-178.7	-176	62.5	0	0	0	111.6	R580 V586 R587 F626	R580-L583 PolarHBondContact O-N 2.61Å; L583-V586 PolarHBondContact O-N 3.34Å; L583-R587 HydrophobicContact CD1-CG 4.18Å; L583-R587 HydrophobicContact CG-CG 4.38Å; L583-R587 WeakPolarHBondContact O-CB 3.29Å; L583-R587 VanDerWaalsContact O-CG 3.26Å; L583-R587 WeakPolarHBondContact O-CG 3.46Å; L583-R587 PolarHBondContact O-N 3.19Å; L583-F626 HydrophobicContact CD1-CD2 4.2Å; L583-F626 HydrophobicContact CD2-CB 3.78Å
584	Y	77.5	Confident	66.5	Low	22 Å²	22	41.3 Å²	41.3	9%	0.086	20%	0.196	C	C	.	.	H	α-helix	trans	-60.7	-45.6	175.2	176.4	-91.9	0	0	0	112.5	F46 A63 H66 A156 R580 S581 L582 T588	F46-Y584 HydrophobicContact CD1-CD1 4.22Å; F46-Y584 HydrophobicContact CD1-CG 4.21Å; F46-Y584 AromaticContact CE1-CD1 3.82Å; F46-Y584 HydrophobicContact CE1-CD1 3.82Å; F46-Y584 AromaticContact CE1-CD2 3.73Å; F46-Y584 HydrophobicContact CE1-CD2 3.73Å; F46-Y584 HydrophobicContact CE1-CE1 4.48Å; F46-Y584 HydrophobicContact CE1-CE2 4.4Å; F46-Y584 AromaticContact CE1-CG 3.39Å; F46-Y584 HydrophobicContact CE1-CG 3.39Å; F46-Y584 HydrophobicContact CZ-CD1 4.22Å; F46-Y584 AromaticContact CZ-CD2 3.59Å; F46-Y584 HydrophobicContact CZ-CD2 3.59Å; F46-Y584 AromaticContact CZ-CE2 3.91Å; F46-Y584 HydrophobicContact CZ-CE2 3.91Å; F46-Y584 AromaticContact CZ-CG 3.76Å; F46-Y584 HydrophobicContact CZ-CG 3.76Å; A63-Y584 HydrophobicContact CB-CD1 4.39Å; A63-Y584 HydrophobicContact CB-CE1 3.85Å; H66-Y584 AromaticContact CE1-CE2 3.79Å; H66-Y584 AromaticContact ND1-CE2 3.46Å; H66-Y584 WeakPolarHBondContact ND1-CE2 3.36Å; H66-Y584 AromaticContact ND1-CZ 3.53Å; H66-Y584 PolarHBondContact ND1-OH 2.86Å; A156-Y584 HydrophobicContact CB-CE2 4.01Å; R580-Y584 WeakPolarHBondContact O-CB 3.39Å; R580-Y584 PolarHBondContact O-N 3.09Å; S581-Y584 PolarHBondContact O-N 2.79Å; L582-Y584 PolarHBondContact O-N 2.92Å; Y584-T588 VanDerWaalsContact O-CB 3.24Å; Y584-T588 WeakPolarHBondContact O-CB 3.26Å; Y584-T588 PolarHBondContact O-N 2.83Å; Y584-T588 PolarHBondContact O-OG1 2.82Å
585	M	77.6	Confident	69.2	Low	5 Å²	5	33.3 Å²	33.3	3%	0.025	16%	0.163	C	C	.	.	H	α-helix	trans	-63.5	-45	179	-72.8	-67.2	-71.5	0	0	111.3	I60 S581 L582 M589	I60-M585 HydrophobicContact CG1-CE 3.95Å; S581-M585 WeakPolarHBondContact O-CB 3.41Å; S581-M585 VanDerWaalsContact O-CG 3.26Å; S581-M585 WeakPolarHBondContact O-CG 3.43Å; S581-M585 PolarHBondContact O-N 3.34Å; L582-M585 PolarHBondContact O-N 3.35Å; M585-M589 HydrophobicContact CB-CE 4.3Å; M585-M589 WeakPolarHBondContact O-CB 3.31Å; M585-M589 WeakPolarHBondContact O-CE 3.12Å; M585-M589 VanDerWaalsContact O-CG 3.27Å; M585-M589 WeakPolarHBondContact O-CG 3.04Å; M585-M589 PolarHBondContact O-N 3.02Å
586	V	83.9	Confident	71.1	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62	-51.3	176.8	172.2	0	0	0	0	111.3	L483 I513 I517 L582 L583 T588 M589 L590 F619	L483-V586 HydrophobicContact CD1-CG1 4.42Å; I513-V586 HydrophobicContact CG2-CG1 4.26Å; I517-V586 HydrophobicContact CB-CG2 4.36Å; I517-V586 HydrophobicContact CD1-CG1 4.04Å; I517-V586 HydrophobicContact CD1-CG2 3.74Å; I517-V586 HydrophobicContact CG1-CG2 3.95Å; I517-V586 HydrophobicContact CG2-CG2 3.52Å; L582-V586 WeakPolarHBondContact O-CG2 3.5Å; L582-V586 PolarHBondContact O-N 3.28Å; L583-V586 PolarHBondContact O-N 3.34Å; V586-T588 PolarHBondContact O-N 3.37Å; V586-M589 PolarHBondContact O-N 3.16Å; V586-L590 HydrophobicContact CG1-CD1 3.78Å; V586-L590 HydrophobicContact CG1-CG 4.39Å; V586-L590 WeakPolarHBondContact O-CB 3.41Å; V586-L590 VanDerWaalsContact O-CG 3.32Å; V586-L590 WeakPolarHBondContact O-CG 3.24Å; V586-L590 PolarHBondContact O-N 3.28Å; V586-F619 HydrophobicContact CG1-CE1 4.44Å
587	R	87.2	Confident	72.5	Confident	32 Å²	32	29.3 Å²	29.3	12%	0.121	14%	0.137	C	C	.	.	H	α-helix	trans	-57.7	-51.9	178.8	-73.2	178.6	58.5	71.3	9.5	111.3	L583 M589 L590 E591 H620 S623 F624	L583-R587 HydrophobicContact CD1-CG 4.18Å; L583-R587 HydrophobicContact CG-CG 4.38Å; L583-R587 WeakPolarHBondContact O-CB 3.29Å; L583-R587 VanDerWaalsContact O-CG 3.26Å; L583-R587 WeakPolarHBondContact O-CG 3.46Å; L583-R587 PolarHBondContact O-N 3.19Å; R587-M589 VanDerWaalsContact C-N 3.3Å; R587-M589 PolarHBondContact O-N 3.44Å; R587-L590 PolarHBondContact O-N 3.27Å; R587-L590 VanDerWaalsContact O-N 3.12Å; R587-E591 VanDerWaalsContact O-CB 3.27Å; R587-E591 WeakPolarHBondContact O-CB 3.47Å; R587-E591 PolarHBondContact O-N 3.42Å; R587-H620 PolarHBondContact NH1-O 2.87Å; R587-H620 PolarHBondContact NH2-CE1 3.33Å; R587-H620 PolarHBondContact NH2-NE2 3.46Å; R587-H620 VanDerWaalsContact NH2-NE2 3.13Å; R587-S623 PolarHBondContact NH1-O 3.19Å; R587-S623 PolarHBondContact NH1-OG 2.94Å; R587-F624 VanDerWaalsContact NH1-N 3.14Å
588	T	84.9	Confident	72.9	Confident	3 Å²	3	23.7 Å²	23.7	2%	0.018	12%	0.122	C	C	.	.	H	α-helix	trans	-59.1	-39.3	179.5	-56.5	0	0	0	0	112.2	Y59 F152 Y584 V586 S592	Y59-T588 HydrophobicContact CD1-CG2 3.73Å; Y59-T588 HydrophobicContact CE1-CG2 4.07Å; F152-T588 HydrophobicContact CE1-CG2 4.06Å; Y584-T588 VanDerWaalsContact O-CB 3.24Å; Y584-T588 WeakPolarHBondContact O-CB 3.26Å; Y584-T588 PolarHBondContact O-N 2.83Å; Y584-T588 PolarHBondContact O-OG1 2.82Å; V586-T588 PolarHBondContact O-N 3.37Å; T588-S592 PolarHBondContact O-N 2.85Å; T588-S592 VanDerWaalsContact O-N 3.15Å
589	M	86.1	Confident	73.2	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.8	-42.6	175.8	-77	-170.5	-71.9	0	0	112	Y59 V509 A512 I513 M585 V586 R587 S592 L593	Y59-M589 HydrophobicContact CD2-CG 3.7Å; Y59-M589 HydrophobicContact CD2-SD 4.29Å; Y59-M589 HydrophobicContact CE2-CG 3.65Å; Y59-M589 HydrophobicContact CE2-SD 4.43Å; Y59-M589 HydrophobicContact CG-CG 4.37Å; V509-M589 HydrophobicContact CG1-CB 3.99Å; V509-M589 HydrophobicContact CG1-CG 4.44Å; A512-M589 HydrophobicContact CB-CE 4.49Å; A512-M589 HydrophobicContact CB-SD 3.67Å; I513-M589 HydrophobicContact CB-CE 4.47Å; I513-M589 HydrophobicContact CD1-CB 3.86Å; I513-M589 HydrophobicContact CG1-CB 3.65Å; I513-M589 HydrophobicContact CG1-CE 3.76Å; I513-M589 HydrophobicContact CG1-CG 4.43Å; I513-M589 HydrophobicContact CG1-SD 4.01Å; M585-M589 HydrophobicContact CB-CE 4.3Å; M585-M589 WeakPolarHBondContact O-CB 3.31Å; M585-M589 WeakPolarHBondContact O-CE 3.12Å; M585-M589 VanDerWaalsContact O-CG 3.27Å; M585-M589 WeakPolarHBondContact O-CG 3.04Å; M585-M589 PolarHBondContact O-N 3.02Å; V586-M589 PolarHBondContact O-N 3.16Å; R587-M589 VanDerWaalsContact C-N 3.3Å; R587-M589 PolarHBondContact O-N 3.44Å; M589-S592 WeakPolarHBondContact O-CB 3.33Å; M589-S592 PolarHBondContact O-N 2.95Å; M589-S592 PolarHBondContact O-OG 3.43Å; M589-L593 PolarHBondContact O-N 3.03Å
590	L	89.4	Confident	73.4	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66.7	-43.6	176.9	-70.4	172.9	0	0	0	112.4	F486 L491 I513 V586 R587 S592 L593 I594 I616 F619	F486-L590 HydrophobicContact CD1-CD1 4.44Å; F486-L590 HydrophobicContact CE1-CD1 3.55Å; F486-L590 HydrophobicContact CE1-CD2 3.68Å; F486-L590 HydrophobicContact CE1-CG 4.27Å; F486-L590 HydrophobicContact CZ-CD1 4.04Å; F486-L590 HydrophobicContact CZ-CD2 3.91Å; L491-L590 HydrophobicContact CD2-CD2 4.48Å; I513-L590 HydrophobicContact CD1-CD2 3.58Å; I513-L590 HydrophobicContact CD1-CG 3.97Å; V586-L590 HydrophobicContact CG1-CD1 3.78Å; V586-L590 HydrophobicContact CG1-CG 4.39Å; V586-L590 WeakPolarHBondContact O-CB 3.41Å; V586-L590 VanDerWaalsContact O-CG 3.32Å; V586-L590 WeakPolarHBondContact O-CG 3.24Å; V586-L590 PolarHBondContact O-N 3.28Å; R587-L590 PolarHBondContact O-N 3.27Å; R587-L590 VanDerWaalsContact O-N 3.12Å; L590-S592 VanDerWaalsContact C-N 3.25Å; L590-S592 PolarHBondContact O-N 3.44Å; L590-L593 HydrophobicContact CD2-CD1 4.25Å; L590-L593 WeakPolarHBondContact O-CA 3.24Å; L590-L593 VanDerWaalsContact O-CB 3.26Å; L590-L593 WeakPolarHBondContact O-CB 3.31Å; L590-L593 PolarHBondContact O-N 3.44Å; L590-I594 PolarHBondContact O-N 2.83Å; L590-I616 HydrophobicContact CB-CG2 3.92Å; L590-I616 HydrophobicContact CD2-CG2 3.97Å; L590-I616 HydrophobicContact CG-CG2 4.44Å; L590-F619 HydrophobicContact CD1-CD1 3.65Å; L590-F619 HydrophobicContact CD1-CE1 3.89Å
591	E	89	Confident	73.4	Confident	11 Å²	11	35.3 Å²	35.3	5%	0.051	20%	0.195	C	C	.	.	H	α-helix	trans	-54.4	-42.8	174.4	-162.6	-160.3	136.6	0	0	110.8	F152 S154 E155 R587 L593 I594 A595	F152-E591 HydrophobicContact CE2-CB 4.15Å; F152-E591 HydrophobicContact CE2-CG 3.77Å; F152-E591 WeakPolarHBondContact CE2-OE1 3.48Å; F152-E591 HydrophobicContact CZ-CB 3.82Å; F152-E591 VanDerWaalsContact CZ-CD 3.45Å; F152-E591 HydrophobicContact CZ-CG 3.82Å; F152-E591 VanDerWaalsContact CZ-OE1 3.29Å; F152-E591 WeakPolarHBondContact CZ-OE1 3.42Å; S154-E591 WeakPolarHBondContact CA-OE1 3.26Å; S154-E591 WeakPolarHBondContact CB-OE2 3.27Å; E155-E591 HydrophobicContact CG-CG 4.46Å; E155-E591 WeakPolarHBondContact CG-OE1 3.22Å; E155-E591 PolarHBondContact N-OE1 2.84Å; E155-E591 PolarHBondContact N-OE2 3.26Å; R587-E591 VanDerWaalsContact O-CB 3.27Å; R587-E591 WeakPolarHBondContact O-CB 3.47Å; R587-E591 PolarHBondContact O-N 3.42Å; E591-L593 PolarHBondContact O-N 2.77Å; E591-I594 WeakPolarHBondContact O-CG1 3.48Å; E591-I594 PolarHBondContact O-N 3.16Å; E591-A595 WeakPolarHBondContact O-CB 3.43Å; E591-A595 PolarHBondContact O-N 2.98Å
592	S	87.1	Confident	73.9	Confident	7 Å²	7	43.1 Å²	43.1	5%	0.049	23%	0.229	C	C	.	.	H	α-helix	trans	-61.5	-26.8	174.9	85.2	0	0	0	0	114.2	Y59 T588 M589 L590	Y59-S592 VanDerWaalsContact OH-CB 3.24Å; Y59-S592 WeakPolarHBondContact OH-CB 3.37Å; Y59-S592 PolarHBondContact OH-OG 2.89Å; T588-S592 PolarHBondContact O-N 2.85Å; T588-S592 VanDerWaalsContact O-N 3.15Å; M589-S592 WeakPolarHBondContact O-CB 3.33Å; M589-S592 PolarHBondContact O-N 2.95Å; M589-S592 PolarHBondContact O-OG 3.43Å; L590-S592 VanDerWaalsContact C-N 3.25Å; L590-S592 PolarHBondContact O-N 3.44Å
593	L	87.6	Confident	74.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-76.6	-33.5	177.8	-61.4	-176.4	0	0	0	112.3	L506 V509 L510 I513 M589 L590 E591 L604 R605 L608 I616	L506-L593 HydrophobicContact CD2-CD2 3.66Å; V509-L593 HydrophobicContact CB-CD2 3.93Å; V509-L593 HydrophobicContact CG1-CD1 4.27Å; V509-L593 HydrophobicContact CG1-CD2 3.64Å; V509-L593 HydrophobicContact CG1-CG 3.96Å; V509-L593 HydrophobicContact CG2-CD2 4.47Å; L510-L593 HydrophobicContact CD2-CD1 3.73Å; L510-L593 HydrophobicContact CG-CD1 4.3Å; I513-L593 HydrophobicContact CD1-CD1 4.38Å; M589-L593 PolarHBondContact O-N 3.03Å; L590-L593 HydrophobicContact CD2-CD1 4.25Å; L590-L593 WeakPolarHBondContact O-CA 3.24Å; L590-L593 VanDerWaalsContact O-CB 3.26Å; L590-L593 WeakPolarHBondContact O-CB 3.31Å; L590-L593 PolarHBondContact O-N 3.44Å; E591-L593 PolarHBondContact O-N 2.77Å; L593-L604 HydrophobicContact CD2-CD1 4.22Å; L593-L604 CarbonylContact O-C 3.47Å; L593-R605 VanDerWaalsContact O-CA 3.22Å; L593-R605 WeakPolarHBondContact O-CA 3.4Å; L593-R605 PolarHBondContact O-N 3.02Å; L593-L608 HydrophobicContact CB-CD1 4.16Å; L593-I616 HydrophobicContact CB-CD1 4.45Å; L593-I616 HydrophobicContact CD1-CD1 4.18Å
594	I	89.1	Confident	74.8	Confident	17 Å²	17	45.7 Å²	45.7	9%	0.087	24%	0.243	C	C	.	.	H	α-helix	trans	-96.9	-11.8	-176.5	58.6	171.9	0	0	0	113.4	L590 E591 D596 R605 V613 I616 E617 H620	L590-I594 PolarHBondContact O-N 2.83Å; E591-I594 WeakPolarHBondContact O-CG1 3.48Å; E591-I594 PolarHBondContact O-N 3.16Å; I594-D596 PolarHBondContact O-N 3.11Å; I594-R605 WeakPolarHBondContact O-CD 3.4Å; I594-R605 PolarHBondContact O-NH1 3.32Å; I594-V613 HydrophobicContact CG2-CG1 4.27Å; I594-I616 HydrophobicContact CD1-CG2 4.47Å; I594-I616 HydrophobicContact CG2-CB 3.8Å; I594-I616 HydrophobicContact CG2-CD1 4.45Å; I594-I616 HydrophobicContact CG2-CG2 3.5Å; I594-E617 HydrophobicContact CB-CG 4.41Å; I594-E617 HydrophobicContact CD1-CG 3.83Å; I594-E617 HydrophobicContact CG2-CG 4.21Å; I594-H620 HydrophobicContact CD1-CB 4.4Å
595	A	82.9	Confident	75.1	Confident	24 Å²	24	47.5 Å²	47.5	20%	0.198	25%	0.25	C	C	.	.			trans	-61.6	127.1	179.4	0	0	0	0	0	113.8	F152 E591 K597	F152-A595 HydrophobicContact CD2-CB 3.65Å; F152-A595 HydrophobicContact CE2-CB 4.12Å; E591-A595 WeakPolarHBondContact O-CB 3.43Å; E591-A595 PolarHBondContact O-N 2.98Å; A595-K597 VanDerWaalsContact C-N 3.33Å
596	D	66.9	Low	75.3	Confident	110 Å²	110	50.6 Å²	50.6	59%	0.588	27%	0.272	S	S	*	.			trans	-80.4	-11.3	174.5	-86.6	-47.6	0	0	0	114.1	I594 S598 T603 R605	I594-D596 PolarHBondContact O-N 3.11Å; D596-S598 PolarHBondContact O-N 3.38Å; D596-S598 VanDerWaalsContact O-N 3.12Å; D596-T603 VanDerWaalsContact O-CG2 3.26Å; D596-T603 WeakPolarHBondContact O-CG2 3.44Å; D596-R605 VanDerWaalsContact CG-CD 3.48Å; D596-R605 WeakPolarHBondContact OD1-CD 3.43Å; D596-R605 IonicContact OD1-NE 2.7Å; D596-R605 IonicContact OD2-NE 2.66Å
597	K	57.8	Low	75.1	Confident	111 Å²	111	51.5 Å²	51.5	48%	0.483	28%	0.279	S	S	.	.			trans	-84.2	91.2	179.3	-73.8	177.4	178	170.8	0	111.7	D240 A595	D240-K597 IonicContact OD1-NZ 2.7Å; D240-K597 PolarHBondContact OD1-NZ 2.9Å; D240-K597 IonicContact OD2-NZ 3.15Å; D240-K597 PolarHBondContact OD2-NZ 3.48Å; A595-K597 VanDerWaalsContact C-N 3.33Å
598	S	47.7	Very low	75	Confident	40 Å²	40	50.8 Å²	50.8	28%	0.28	28%	0.277	S	S	.	.			trans	-132.7	138.1	145.5	89.1	0	0	0	0	108.8	K150 D596 S600	K150-S598 WeakPolarHBondContact O-CA 3.45Å; D596-S598 PolarHBondContact O-N 3.38Å; D596-S598 VanDerWaalsContact O-N 3.12Å; S598-S600 PolarHBondContact O-N 3.15Å; S598-S600 PolarHBondContact OG-N 3.4Å; S598-S600 PolarHBondContact OG-O 2.79Å; S598-S600 PolarHBondContact OG-OG 3.12Å
599	G	47.4	Very low	74.9	Confident	59 Å²	59	53.8 Å²	53.8	61%	0.608	29%	0.293	S	S	*	.	S	Bend	trans	-69.7	24.2	174.2	0	0	0	0	0	114.6
600	S	49.2	Very low	74.7	Confident	70 Å²	70	56 Å²	56	49%	0.49	32%	0.315	S	S	.	.	S	Bend	trans	-125.7	151	-179	86.5	0	0	0	0	109.6	S598 K602	S598-S600 PolarHBondContact O-N 3.15Å; S598-S600 PolarHBondContact OG-N 3.4Å; S598-S600 PolarHBondContact OG-O 2.79Å; S598-S600 PolarHBondContact OG-OG 3.12Å; S600-K602 PolarHBondContact O-N 3.5Å; S600-K602 PolarHBondContact OG-N 2.92Å; S600-K602 PolarHBondContact OG-O 3.41Å
601	K	53.4	Low	74.7	Confident	217 Å²	217	61 Å²	61	94%	0.943	35%	0.348	S	S	*	.	S	Bend	trans	-64.5	4.5	178.7	-73.9	-174.8	173.9	-178.7	0	114.9
602	K	67.2	Low	74.6	Confident	165 Å²	165	61.1 Å²	61.1	72%	0.717	35%	0.349	S	S	*	.			trans	-140.9	88.5	-177.1	-69.3	-177.5	178.9	173.3	0	111	S600 S606	S600-K602 PolarHBondContact O-N 3.5Å; S600-K602 PolarHBondContact OG-N 2.92Å; S600-K602 PolarHBondContact OG-O 3.41Å; K602-S606 WeakPolarHBondContact CA-OG 3.34Å
603	T	76.4	Confident	74.6	Confident	19 Å²	19	61.3 Å²	61.3	12%	0.117	35%	0.35	C	S	.	.			trans	-71.1	164.8	167.9	57.1	0	0	0	0	111.2	D596 R605 S606	D596-T603 VanDerWaalsContact O-CG2 3.26Å; D596-T603 WeakPolarHBondContact O-CG2 3.44Å; T603-R605 VanDerWaalsContact C-N 3.29Å; T603-R605 PolarHBondContact O-N 2.99Å; T603-S606 PolarHBondContact N-OG 3.49Å; T603-S606 VanDerWaalsContact N-OG 3.14Å; T603-S606 PolarHBondContact O-N 3.29Å; T603-S606 PolarHBondContact O-OG 2.91Å; T603-S606 WeakPolarHBondContact OG1-CB 3.42Å; T603-S606 PolarHBondContact OG1-N 2.69Å
604	L	81.6	Confident	74.7	Confident	47 Å²	47	66.7 Å²	66.7	25%	0.246	38%	0.378	C	S	.	.	S	Bend	trans	-61.8	-41	170.7	-67.2	179.4	0	0	0	110.9	V505 L506 L593 S606 S607	V505-L604 HydrophobicContact CB-CD2 4.28Å; V505-L604 HydrophobicContact CG1-CD1 4.49Å; V505-L604 HydrophobicContact CG1-CD2 3.88Å; L506-L604 HydrophobicContact CD2-CB 4.21Å; L506-L604 HydrophobicContact CD2-CD2 4.17Å; L506-L604 HydrophobicContact CG-CD2 4.34Å; L593-L604 HydrophobicContact CD2-CD1 4.22Å; L593-L604 CarbonylContact O-C 3.47Å; L604-S606 VanDerWaalsContact C-N 3.32Å; L604-S606 PolarHBondContact O-N 3.49Å; L604-S607 WeakPolarHBondContact O-CB 3.31Å; L604-S607 PolarHBondContact O-N 3.3Å
605	R	84.4	Confident	74.8	Confident	60 Å²	60	67.4 Å²	67.4	23%	0.226	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-51	-47.4	172.7	-166.8	-163.6	-176.2	75.2	3.3	112.3	L593 I594 D596 T603 S607 L608 V613 E617	L593-R605 VanDerWaalsContact O-CA 3.22Å; L593-R605 WeakPolarHBondContact O-CA 3.4Å; L593-R605 PolarHBondContact O-N 3.02Å; I594-R605 WeakPolarHBondContact O-CD 3.4Å; I594-R605 PolarHBondContact O-NH1 3.32Å; D596-R605 VanDerWaalsContact CG-CD 3.48Å; D596-R605 WeakPolarHBondContact OD1-CD 3.43Å; D596-R605 IonicContact OD1-NE 2.7Å; D596-R605 IonicContact OD2-NE 2.66Å; T603-R605 VanDerWaalsContact C-N 3.29Å; T603-R605 PolarHBondContact O-N 2.99Å; R605-S607 PolarHBondContact O-N 3.09Å; R605-L608 PolarHBondContact O-N 3.43Å; R605-V613 HydrophobicContact CG-CG1 4.23Å; R605-V613 HydrophobicContact CG-CG2 4.31Å; R605-V613 VanDerWaalsContact CZ-CG1 3.43Å; R605-E617 IonicContact CZ-OE1 2.64Å; R605-E617 IonicContact NH1-OE1 3.36Å; R605-E617 PolarHBondContact NH1-OE1 2.73Å; R605-E617 IonicContact NH2-OE1 3.9Å; R605-E617 PolarHBondContact NH2-OE1 3.01Å; R605-E617 IonicContact NH2-OE2 2.69Å
606	S	82.3	Confident	75.2	Confident	71 Å²	71	66.4 Å²	66.4	50%	0.497	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-63.2	-8.6	179.1	75	0	0	0	0	115.2	K602 T603 L604	K602-S606 WeakPolarHBondContact CA-OG 3.34Å; T603-S606 PolarHBondContact N-OG 3.49Å; T603-S606 VanDerWaalsContact N-OG 3.14Å; T603-S606 PolarHBondContact O-N 3.29Å; T603-S606 PolarHBondContact O-OG 2.91Å; T603-S606 WeakPolarHBondContact OG1-CB 3.42Å; T603-S606 PolarHBondContact OG1-N 2.69Å; L604-S606 VanDerWaalsContact C-N 3.32Å; L604-S606 PolarHBondContact O-N 3.49Å
607	S	80.6	Confident	76.2	Confident	19 Å²	19	64 Å²	64	13%	0.133	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-103.3	-3.6	176.7	-66.1	0	0	0	0	113.9	K503 L604 R605	K503-S607 PolarHBondContact NZ-OG 3.36Å; L604-S607 WeakPolarHBondContact O-CB 3.31Å; L604-S607 PolarHBondContact O-N 3.3Å; R605-S607 PolarHBondContact O-N 3.09Å
608	L	83.6	Confident	77.8	Confident	17 Å²	17	62.9 Å²	62.9	9%	0.089	36%	0.363	C	S	.	.	S	Bend	trans	-100.4	148.1	175.2	-64.8	175.2	0	0	0	110.2	P494 L506 L593 R605 I612 V613 I616	P494-L608 HydrophobicContact CB-CD2 4.22Å; L506-L608 HydrophobicContact CD1-CD2 4.01Å; L506-L608 HydrophobicContact CD1-CG 4.46Å; L506-L608 HydrophobicContact CD2-CD2 4.1Å; L506-L608 HydrophobicContact CD2-CG 4.26Å; L593-L608 HydrophobicContact CB-CD1 4.16Å; R605-L608 PolarHBondContact O-N 3.43Å; L608-I612 HydrophobicContact CB-CG2 4.43Å; L608-I612 HydrophobicContact CD1-CG2 4.46Å; L608-I612 HydrophobicContact CD2-CG2 4.11Å; L608-V613 HydrophobicContact CB-CG2 3.66Å; L608-V613 HydrophobicContact CD1-CG2 4.38Å; L608-I616 HydrophobicContact CD1-CD1 3.85Å
609	D	82.5	Confident	79.9	Confident	65 Å²	65	61.7 Å²	61.7	35%	0.348	35%	0.352	S	S	.	.			trans	-82.5	148.3	176.2	-64.4	-0.8	0	0	0	109.9	Q497 K501 I612 V613	Q497-D609 VanDerWaalsContact CD-OD2 3.3Å; Q497-D609 PolarHBondContact NE2-OD2 3.35Å; Q497-D609 PolarHBondContact OE1-OD1 3.08Å; Q497-D609 PolarHBondContact OE1-OD2 3.27Å; K501-D609 IonicContact NZ-OD1 3.15Å; K501-D609 PolarHBondContact NZ-OD1 3.23Å; K501-D609 IonicContact NZ-OD2 2.64Å; D609-I612 HydrophobicContact CB-CD1 4.23Å; D609-I612 VanDerWaalsContact O-CB 3.3Å; D609-I612 WeakPolarHBondContact O-CB 3.33Å; D609-I612 PolarHBondContact O-N 3.02Å; D609-V613 PolarHBondContact O-N 2.65Å
610	G	83.2	Confident	81.9	Confident	46 Å²	46	59.4 Å²	59.4	47%	0.474	33%	0.326	S	S	.	.	H	α-helix	trans	-47.7	-48.4	-170.5	0	0	0	0	0	116.8	I612 V613 L614	G610-I612 VanDerWaalsContact C-N 3.26Å; G610-I612 PolarHBondContact O-N 2.73Å; G610-V613 WeakPolarHBondContact O-CB 3.31Å; G610-V613 PolarHBondContact O-N 2.73Å; G610-V613 VanDerWaalsContact O-N 3.14Å; G610-L614 PolarHBondContact O-N 3.49Å; G610-L614 VanDerWaalsContact O-N 3.07Å
611	P	88.7	Confident	83.8	Confident	105 Å²	105	61 Å²	61	68%	0.682	32%	0.324	S	S	*	.	H	α-helix	trans	-61.7	-30.5	178.5	-25.4	35.6	0	0	0	114.3	A615	P611-A615 WeakPolarHBondContact O-CB 3.29Å; P611-A615 PolarHBondContact O-N 3.44Å; P611-A615 VanDerWaalsContact O-N 3.07Å
612	I	87.6	Confident	85.5	Confident	15 Å²	15	53.6 Å²	53.6	8%	0.077	29%	0.292	C	S	.	.	H	α-helix	trans	-69.7	-43.4	175.9	-62.5	170.3	0	0	0	109.9	E493 P494 Q497 L608 D609 G610 L614 A615 I616	E493-I612 HydrophobicContact CG-CD1 4.16Å; E493-I612 HydrophobicContact CG-CG1 4.39Å; P494-I612 HydrophobicContact CB-CD1 4.18Å; P494-I612 HydrophobicContact CB-CG2 3.66Å; P494-I612 HydrophobicContact CG-CG2 3.89Å; Q497-I612 HydrophobicContact CG-CD1 4.49Å; L608-I612 HydrophobicContact CB-CG2 4.43Å; L608-I612 HydrophobicContact CD1-CG2 4.46Å; L608-I612 HydrophobicContact CD2-CG2 4.11Å; D609-I612 HydrophobicContact CB-CD1 4.23Å; D609-I612 VanDerWaalsContact O-CB 3.3Å; D609-I612 WeakPolarHBondContact O-CB 3.33Å; D609-I612 PolarHBondContact O-N 3.02Å; G610-I612 VanDerWaalsContact C-N 3.26Å; G610-I612 PolarHBondContact O-N 2.73Å; I612-L614 VanDerWaalsContact C-N 3.33Å; I612-A615 PolarHBondContact O-N 2.98Å; I612-I616 HydrophobicContact CG2-CD1 3.9Å; I612-I616 WeakPolarHBondContact O-CG1 3.22Å; I612-I616 PolarHBondContact O-N 3.01Å
613	V	87.4	Confident	86.6	Confident	10 Å²	10	45.7 Å²	45.7	6%	0.061	26%	0.258	C	S	.	.	H	α-helix	trans	-60.2	-47	178.6	176.3	0	0	0	0	109.8	I594 R605 L608 D609 G610 A615 I616 E617	I594-V613 HydrophobicContact CG2-CG1 4.27Å; R605-V613 HydrophobicContact CG-CG1 4.23Å; R605-V613 HydrophobicContact CG-CG2 4.31Å; R605-V613 VanDerWaalsContact CZ-CG1 3.43Å; L608-V613 HydrophobicContact CB-CG2 3.66Å; L608-V613 HydrophobicContact CD1-CG2 4.38Å; D609-V613 PolarHBondContact O-N 2.65Å; G610-V613 WeakPolarHBondContact O-CB 3.31Å; G610-V613 PolarHBondContact O-N 2.73Å; G610-V613 VanDerWaalsContact O-N 3.14Å; V613-A615 PolarHBondContact O-N 3.04Å; V613-I616 PolarHBondContact O-N 3.25Å; V613-E617 HydrophobicContact CG1-CG 4.4Å; V613-E617 WeakPolarHBondContact O-CB 3.36Å; V613-E617 WeakPolarHBondContact O-CG 3.3Å; V613-E617 PolarHBondContact O-N 3.09Å
614	L	89.7	Confident	87.2	Confident	113 Å²	113	46.2 Å²	46.2	59%	0.592	26%	0.259	S	S	*	.	H	α-helix	trans	-59.8	-41.6	175.5	-67.9	172	0	0	0	112.8	G610 I612 E617 D618	G610-L614 PolarHBondContact O-N 3.49Å; G610-L614 VanDerWaalsContact O-N 3.07Å; I612-L614 VanDerWaalsContact C-N 3.33Å; L614-E617 PolarHBondContact O-N 2.97Å; L614-D618 WeakPolarHBondContact O-CB 3.22Å; L614-D618 PolarHBondContact O-N 3.31Å
615	A	89.5	Confident	87.7	Confident	33 Å²	33	45 Å²	45	27%	0.273	25%	0.252	S	S	.	.	H	α-helix	trans	-66	-36.9	177.2	0	0	0	0	0	112.8	T490 P611 I612 V613 F619	T490-A615 HydrophobicContact CG2-CB 4.05Å; P611-A615 WeakPolarHBondContact O-CB 3.29Å; P611-A615 PolarHBondContact O-N 3.44Å; P611-A615 VanDerWaalsContact O-N 3.07Å; I612-A615 PolarHBondContact O-N 2.98Å; V613-A615 PolarHBondContact O-N 3.04Å; A615-F619 WeakPolarHBondContact O-CB 3.4Å; A615-F619 PolarHBondContact O-N 2.97Å
616	I	91.1	Very high	87.9	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-69.9	-41.7	174	-63.1	164.3	0	0	0	110.6	F486 L590 L593 I594 L608 I612 V613 H620	F486-I616 HydrophobicContact CZ-CG1 4.11Å; L590-I616 HydrophobicContact CB-CG2 3.92Å; L590-I616 HydrophobicContact CD2-CG2 3.97Å; L590-I616 HydrophobicContact CG-CG2 4.44Å; L593-I616 HydrophobicContact CB-CD1 4.45Å; L593-I616 HydrophobicContact CD1-CD1 4.18Å; I594-I616 HydrophobicContact CD1-CG2 4.47Å; I594-I616 HydrophobicContact CG2-CB 3.8Å; I594-I616 HydrophobicContact CG2-CD1 4.45Å; I594-I616 HydrophobicContact CG2-CG2 3.5Å; L608-I616 HydrophobicContact CD1-CD1 3.85Å; I612-I616 HydrophobicContact CG2-CD1 3.9Å; I612-I616 WeakPolarHBondContact O-CG1 3.22Å; I612-I616 PolarHBondContact O-N 3.01Å; V613-I616 PolarHBondContact O-N 3.25Å; I616-H620 WeakPolarHBondContact O-CB 3.25Å; I616-H620 PolarHBondContact O-N 3.5Å
617	E	89.6	Confident	88	Confident	60 Å²	60	40.4 Å²	40.4	28%	0.28	23%	0.227	S	C	.	.	H	α-helix	trans	-62.7	-45	177.3	-76.3	172.9	161.6	0	0	112.3	I594 R605 V613 L614 H620 K621	I594-E617 HydrophobicContact CB-CG 4.41Å; I594-E617 HydrophobicContact CD1-CG 3.83Å; I594-E617 HydrophobicContact CG2-CG 4.21Å; R605-E617 IonicContact CZ-OE1 2.64Å; R605-E617 IonicContact NH1-OE1 3.36Å; R605-E617 PolarHBondContact NH1-OE1 2.73Å; R605-E617 IonicContact NH2-OE1 3.9Å; R605-E617 PolarHBondContact NH2-OE1 3.01Å; R605-E617 IonicContact NH2-OE2 2.69Å; V613-E617 HydrophobicContact CG1-CG 4.4Å; V613-E617 WeakPolarHBondContact O-CB 3.36Å; V613-E617 WeakPolarHBondContact O-CG 3.3Å; V613-E617 PolarHBondContact O-N 3.09Å; L614-E617 PolarHBondContact O-N 2.97Å; E617-H620 PolarHBondContact O-N 3.27Å; E617-K621 WeakPolarHBondContact O-CB 3.3Å; E617-K621 PolarHBondContact O-N 3.31Å
618	D	90.4	Very high	88.3	Confident	88 Å²	88	40.8 Å²	40.8	47%	0.471	23%	0.227	S	C	.	.	H	α-helix	trans	-63	-50	177.2	178.6	45.9	0	0	0	111.5	L614 H620 K621 Q622	L614-D618 WeakPolarHBondContact O-CB 3.22Å; L614-D618 PolarHBondContact O-N 3.31Å; D618-H620 VanDerWaalsContact C-N 3.31Å; D618-H620 PolarHBondContact O-N 3.45Å; D618-K621 PolarHBondContact O-N 2.89Å; D618-K621 VanDerWaalsContact O-N 3.1Å; D618-Q622 WeakPolarHBondContact O-CG 3.47Å; D618-Q622 PolarHBondContact O-N 3.45Å; D618-Q622 PolarHBondContact OD1-NE2 3.22Å; D618-Q622 PolarHBondContact OD2-NE2 3.42Å
619	F	91.8	Very high	88.6	Confident	14 Å²	14	40 Å²	40	6%	0.061	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-38.6	175	-176.1	-92.8	0	0	0	112.3	A482 L483 F486 V586 L590 A615 K621 S623 F626	A482-F619 HydrophobicContact CB-CE2 4.41Å; A482-F619 WeakPolarHBondContact O-CE2 3.38Å; L483-F619 HydrophobicContact CD1-CE1 4.47Å; L483-F619 HydrophobicContact CD1-CZ 3.8Å; F486-F619 HydrophobicContact CB-CD2 3.73Å; F486-F619 HydrophobicContact CB-CE2 3.77Å; F486-F619 HydrophobicContact CB-CG 4.27Å; F486-F619 HydrophobicContact CB-CZ 4.34Å; F486-F619 AromaticContact CD1-CD1 3.8Å; F486-F619 HydrophobicContact CD1-CD1 3.8Å; F486-F619 HydrophobicContact CD1-CD2 4.22Å; F486-F619 AromaticContact CD1-CE1 3.97Å; F486-F619 HydrophobicContact CD1-CE1 3.97Å; F486-F619 HydrophobicContact CD1-CE2 4.37Å; F486-F619 AromaticContact CD1-CG 3.94Å; F486-F619 HydrophobicContact CD1-CG 3.94Å; F486-F619 HydrophobicContact CD1-CZ 4.25Å; F486-F619 HydrophobicContact CD2-CB 3.59Å; F486-F619 HydrophobicContact CD2-CD1 4.26Å; F486-F619 AromaticContact CD2-CD2 3.8Å; F486-F619 HydrophobicContact CD2-CD2 3.8Å; F486-F619 AromaticContact CD2-CG 3.6Å; F486-F619 HydrophobicContact CD2-CG 3.6Å; F486-F619 AromaticContact CE1-CD1 3.82Å; F486-F619 HydrophobicContact CE1-CD1 3.82Å; F486-F619 HydrophobicContact CE1-CE1 4.27Å; F486-F619 HydrophobicContact CE1-CG 4.14Å; F486-F619 HydrophobicContact CE2-CB 3.47Å; F486-F619 VanDerWaalsContact CE2-CB 3.47Å; F486-F619 HydrophobicContact CE2-CD1 4.27Å; F486-F619 HydrophobicContact CE2-CD2 4.48Å; F486-F619 AromaticContact CE2-CG 3.82Å; F486-F619 HydrophobicContact CE2-CG 3.82Å; F486-F619 HydrophobicContact CG-CB 4.19Å; F486-F619 HydrophobicContact CG-CD1 4.02Å; F486-F619 AromaticContact CG-CD2 3.64Å; F486-F619 HydrophobicContact CG-CD2 3.64Å; F486-F619 HydrophobicContact CG-CE1 4.36Å; F486-F619 HydrophobicContact CG-CE2 4.01Å; F486-F619 AromaticContact CG-CG 3.65Å; F486-F619 HydrophobicContact CG-CG 3.65Å; F486-F619 HydrophobicContact CG-CZ 4.36Å; F486-F619 HydrophobicContact CZ-CB 3.97Å; F486-F619 HydrophobicContact CZ-CD1 4.05Å; F486-F619 HydrophobicContact CZ-CG 4.08Å; V586-F619 HydrophobicContact CG1-CE1 4.44Å; L590-F619 HydrophobicContact CD1-CD1 3.65Å; L590-F619 HydrophobicContact CD1-CE1 3.89Å; A615-F619 WeakPolarHBondContact O-CB 3.4Å; A615-F619 PolarHBondContact O-N 2.97Å; F619-K621 VanDerWaalsContact C-N 3.32Å; F619-K621 PolarHBondContact O-N 2.95Å; F619-S623 WeakPolarHBondContact O-CB 3.09Å; F619-S623 PolarHBondContact O-N 3.34Å; F619-S623 PolarHBondContact O-OG 3.36Å; F619-F626 HydrophobicContact CE2-CE2 4.46Å; F619-F626 HydrophobicContact CZ-CE2 4.44Å
620	H	90.3	Very high	88.7	Confident	12 Å²	12	38 Å²	38	6%	0.056	21%	0.212	C	C	.	.	H	α-helix	trans	-66.8	-32.9	175.5	-169.7	-112.1	0	0	0	112.2	E155 R587 I594 I616 E617 D618	E155-H620 IonicContact OE2-CE1 3.92Å; E155-H620 PolarHBondContact OE2-CE1 3.3Å; R587-H620 PolarHBondContact NH1-O 2.87Å; R587-H620 PolarHBondContact NH2-CE1 3.33Å; R587-H620 PolarHBondContact NH2-NE2 3.46Å; R587-H620 VanDerWaalsContact NH2-NE2 3.13Å; I594-H620 HydrophobicContact CD1-CB 4.4Å; I616-H620 WeakPolarHBondContact O-CB 3.25Å; I616-H620 PolarHBondContact O-N 3.5Å; E617-H620 PolarHBondContact O-N 3.27Å; D618-H620 VanDerWaalsContact C-N 3.31Å; D618-H620 PolarHBondContact O-N 3.45Å
621	K	89	Confident	88.7	Confident	104 Å²	104	36.6 Å²	36.6	45%	0.452	19%	0.193	S	C	.	.	H	α-helix	trans	-73.2	-48.8	175.2	-169.2	170.6	-175.7	170.8	0	111.6	M253 E617 D618 F619 S623 F624	M253-K621 HydrophobicContact CE-CG 4.04Å; M253-K621 HydrophobicContact SD-CD 4.46Å; M253-K621 HydrophobicContact SD-CG 3.94Å; E617-K621 WeakPolarHBondContact O-CB 3.3Å; E617-K621 PolarHBondContact O-N 3.31Å; D618-K621 PolarHBondContact O-N 2.89Å; D618-K621 VanDerWaalsContact O-N 3.1Å; F619-K621 VanDerWaalsContact C-N 3.32Å; F619-K621 PolarHBondContact O-N 2.95Å; K621-S623 PolarHBondContact O-N 2.96Å; K621-F624 VanDerWaalsContact O-CB 3.27Å; K621-F624 WeakPolarHBondContact O-CB 3.35Å; K621-F624 PolarHBondContact O-N 2.91Å
622	Q	88.6	Confident	88.6	Confident	60 Å²	60	31.8 Å²	31.8	28%	0.28	16%	0.162	S	C	.	.	H	α-helix	trans	-63.2	-42.8	179.6	-67.8	-171.9	43.7	0	0	112.3	D618 F624 F626	D618-Q622 WeakPolarHBondContact O-CG 3.47Å; D618-Q622 PolarHBondContact O-N 3.45Å; D618-Q622 PolarHBondContact OD1-NE2 3.22Å; D618-Q622 PolarHBondContact OD2-NE2 3.42Å; Q622-F624 PolarHBondContact O-N 2.69Å; Q622-F626 WeakPolarHBondContact O-CD1 3.27Å; Q622-F626 WeakPolarHBondContact O-CE1 3.45Å
623	S	90.1	Very high	88.4	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	1.4	-178.5	63	0	0	0	0	115	R587 F619 K621	R587-S623 PolarHBondContact NH1-O 3.19Å; R587-S623 PolarHBondContact NH1-OG 2.94Å; F619-S623 WeakPolarHBondContact O-CB 3.09Å; F619-S623 PolarHBondContact O-N 3.34Å; F619-S623 PolarHBondContact O-OG 3.36Å; K621-S623 PolarHBondContact O-N 2.96Å
624	F	90	Very high	88.4	Confident	30 Å²	30	34.5 Å²	34.5	13%	0.132	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-49.3	174.5	178	-99.9	0	0	0	111.4	Y248 M253 R587 K621 Q622 F626	Y248-F624 HydrophobicContact CD2-CE2 4.46Å; Y248-F624 HydrophobicContact CD2-CZ 4.48Å; Y248-F624 HydrophobicContact CE2-CD2 4.44Å; Y248-F624 AromaticContact CE2-CE2 3.56Å; Y248-F624 HydrophobicContact CE2-CE2 3.56Å; Y248-F624 AromaticContact CE2-CZ 3.98Å; Y248-F624 HydrophobicContact CE2-CZ 3.98Å; M253-F624 VanDerWaalsContact C-CE1 3.41Å; M253-F624 HydrophobicContact CB-CE1 4.3Å; M253-F624 HydrophobicContact CB-CZ 4.29Å; M253-F624 HydrophobicContact CE-CB 3.56Å; M253-F624 HydrophobicContact CE-CD1 3.87Å; M253-F624 HydrophobicContact CE-CD2 3.96Å; M253-F624 HydrophobicContact CE-CG 3.51Å; M253-F624 WeakPolarHBondContact O-CZ 3.13Å; R587-F624 VanDerWaalsContact NH1-N 3.14Å; K621-F624 VanDerWaalsContact O-CB 3.27Å; K621-F624 WeakPolarHBondContact O-CB 3.35Å; K621-F624 PolarHBondContact O-N 2.91Å; Q622-F624 PolarHBondContact O-N 2.69Å; F624-F626 VanDerWaalsContact C-N 3.27Å; F624-F626 PolarHBondContact O-N 2.71Å
625	F	90.6	Very high	88.3	Confident	21 Å²	21	29.3 Å²	29.3	9%	0.092	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-8.6	-176.7	-60.5	-73.9	0	0	0	114	L255 L394 T627 H628 L629	L255-F625 HydrophobicContact CB-CD1 4.37Å; L255-F625 HydrophobicContact CB-CE1 4.39Å; L255-F625 HydrophobicContact CD1-CD1 4.39Å; L255-F625 HydrophobicContact CD1-CE1 4.47Å; L394-F625 HydrophobicContact CD1-CB 3.9Å; L394-F625 HydrophobicContact CD1-CD1 3.87Å; L394-F625 HydrophobicContact CD1-CD2 4.42Å; L394-F625 HydrophobicContact CD1-CG 3.81Å; L394-F625 HydrophobicContact CD2-CB 4.27Å; L394-F625 HydrophobicContact CD2-CD2 4.05Å; L394-F625 HydrophobicContact CD2-CG 4.18Å; F625-T627 PolarHBondContact O-N 2.94Å; F625-H628 PolarHBondContact O-N 3.26Å; F625-H628 VanDerWaalsContact O-N 3.1Å; F625-L629 HydrophobicContact CB-CD1 4.22Å; F625-L629 WeakPolarHBondContact O-CG 3.36Å; F625-L629 PolarHBondContact O-N 2.71Å
626	F	90.2	Very high	88.4	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-58.1	-37.8	-177.5	-72.6	6.4	0	0	0	112	F390 I479 A482 L583 F619 Q622 F624 L629 L630	F390-F626 HydrophobicContact CE2-CD1 4.08Å; F390-F626 HydrophobicContact CE2-CE1 4.11Å; F390-F626 AromaticContact CZ-CD1 3.93Å; F390-F626 HydrophobicContact CZ-CD1 3.93Å; F390-F626 AromaticContact CZ-CE1 3.72Å; F390-F626 HydrophobicContact CZ-CE1 3.72Å; I479-F626 HydrophobicContact CB-CD2 4.4Å; I479-F626 HydrophobicContact CD1-CB 3.8Å; I479-F626 HydrophobicContact CD1-CD1 4.11Å; I479-F626 HydrophobicContact CD1-CD2 4.44Å; I479-F626 HydrophobicContact CD1-CG 3.86Å; I479-F626 HydrophobicContact CG1-CB 4.28Å; I479-F626 HydrophobicContact CG1-CD1 3.84Å; I479-F626 HydrophobicContact CG1-CD2 4.03Å; I479-F626 HydrophobicContact CG1-CE1 4.17Å; I479-F626 HydrophobicContact CG1-CE2 4.34Å; I479-F626 HydrophobicContact CG1-CG 3.77Å; I479-F626 HydrophobicContact CG1-CZ 4.4Å; I479-F626 HydrophobicContact CG2-CD2 3.75Å; I479-F626 HydrophobicContact CG2-CE2 4.14Å; I479-F626 HydrophobicContact CG2-CG 4.23Å; A482-F626 HydrophobicContact CB-CZ 4.36Å; L583-F626 HydrophobicContact CD1-CD2 4.2Å; L583-F626 HydrophobicContact CD2-CB 3.78Å; F619-F626 HydrophobicContact CE2-CE2 4.46Å; F619-F626 HydrophobicContact CZ-CE2 4.44Å; Q622-F626 WeakPolarHBondContact O-CD1 3.27Å; Q622-F626 WeakPolarHBondContact O-CE1 3.45Å; F624-F626 VanDerWaalsContact C-N 3.27Å; F624-F626 PolarHBondContact O-N 2.71Å; F626-L629 PolarHBondContact O-N 2.97Å; F626-L630 WeakPolarHBondContact O-CB 3.41Å; F626-L630 WeakPolarHBondContact O-CG 3.34Å; F626-L630 PolarHBondContact O-N 2.73Å
627	T	84.2	Confident	88.4	Confident	34 Å²	34	30.2 Å²	30.2	21%	0.209	15%	0.15	C	C	.	.	H	α-helix	trans	-64.9	-40.7	177.5	-55.1	0	0	0	0	112.1	R580 F625 N631	R580-T627 HydrophobicContact CG-CG2 4.12Å; R580-T627 VanDerWaalsContact NE-CG2 3.28Å; F625-T627 PolarHBondContact O-N 2.94Å; T627-N631 PolarHBondContact O-N 2.72Å; T627-N631 PolarHBondContact O-ND2 3.49Å
628	H	87.1	Confident	88.4	Confident	27 Å²	27	30.5 Å²	30.5	13%	0.125	15%	0.151	C	C	.	.	H	α-helix	trans	-69.2	-44.2	177.2	-57.4	84.6	0	0	0	111.4	L255 E259 F625 N631 I632 A635	L255-H628 HydrophobicContact CD2-CB 3.43Å; L255-H628 VanDerWaalsContact CD2-CB 3.43Å; E259-H628 IonicContact OE1-CD2 3.92Å; E259-H628 IonicContact OE1-CE1 2.69Å; E259-H628 IonicContact OE1-NE2 2.7Å; E259-H628 PolarHBondContact OE1-NE2 3.43Å; E259-H628 IonicContact OE2-NE2 2.78Å; E259-H628 PolarHBondContact OE2-NE2 3.14Å; F625-H628 PolarHBondContact O-N 3.26Å; F625-H628 VanDerWaalsContact O-N 3.1Å; H628-N631 CarbonylContact O-C 3.49Å; H628-N631 WeakPolarHBondContact O-CA 3.39Å; H628-N631 PolarHBondContact O-N 3.34Å; H628-I632 PolarHBondContact O-N 2.89Å; H628-A635 HydrophobicContact CB-CB 4.19Å
629	L	88.4	Confident	88.6	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-67.8	-36.6	-179	-69.2	168.2	0	0	0	112.5	F390 A393 L394 L397 I475 F625 F626 N631 I632	F390-L629 HydrophobicContact CD2-CD1 3.94Å; F390-L629 HydrophobicContact CE1-CD1 4.18Å; F390-L629 HydrophobicContact CE2-CD1 3.31Å; F390-L629 HydrophobicContact CZ-CD1 3.43Å; F390-L629 VanDerWaalsContact CZ-CD1 3.43Å; A393-L629 HydrophobicContact CB-CD2 4.2Å; L394-L629 HydrophobicContact CB-CD1 4.16Å; L394-L629 HydrophobicContact CB-CD2 4.15Å; L394-L629 HydrophobicContact CD1-CD1 4.28Å; L394-L629 HydrophobicContact CD1-CD2 4.42Å; L394-L629 HydrophobicContact CD2-CD1 4.48Å; L397-L629 HydrophobicContact CD1-CD2 3.85Å; I475-L629 HydrophobicContact CD1-CB 4.08Å; I475-L629 HydrophobicContact CD1-CD2 4.11Å; I475-L629 HydrophobicContact CG1-CB 4.35Å; I475-L629 HydrophobicContact CG2-CB 3.78Å; F625-L629 HydrophobicContact CB-CD1 4.22Å; F625-L629 WeakPolarHBondContact O-CG 3.36Å; F625-L629 PolarHBondContact O-N 2.71Å; F626-L629 PolarHBondContact O-N 2.97Å; L629-N631 PolarHBondContact O-N 2.98Å; L629-I632 WeakPolarHBondContact O-CB 3.47Å; L629-I632 PolarHBondContact O-N 2.74Å
630	L	84.8	Confident	88.7	Confident	23 Å²	23	25.7 Å²	25.7	12%	0.12	13%	0.126	C	C	.	.	H	α-helix	trans	-64.9	-21.1	171.7	-73	168.6	0	0	0	113.2	I475 R476 I479 F626	I475-L630 HydrophobicContact CG2-CD2 4.35Å; R476-L630 HydrophobicContact CG-CD2 4.15Å; I479-L630 HydrophobicContact CD1-CD1 4.13Å; I479-L630 HydrophobicContact CD1-CD2 3.92Å; I479-L630 HydrophobicContact CD1-CG 3.65Å; F626-L630 WeakPolarHBondContact O-CB 3.41Å; F626-L630 WeakPolarHBondContact O-CG 3.34Å; F626-L630 PolarHBondContact O-N 2.73Å
631	N	83.6	Confident	88.7	Confident	17 Å²	17	28 Å²	28	9%	0.091	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	40.4	175.1	-58.7	-71.3	0	0	0	110.5	T627 H628 L629 S633 E634 A635	T627-N631 PolarHBondContact O-N 2.72Å; T627-N631 PolarHBondContact O-ND2 3.49Å; H628-N631 CarbonylContact O-C 3.49Å; H628-N631 WeakPolarHBondContact O-CA 3.39Å; H628-N631 PolarHBondContact O-N 3.34Å; L629-N631 PolarHBondContact O-N 2.98Å; N631-S633 PolarHBondContact O-N 3.02Å; N631-S633 VanDerWaalsContact O-N 3.09Å; N631-E634 PolarHBondContact O-N 3.15Å; N631-A635 PolarHBondContact O-N 3.27Å
632	I	87	Confident	89	Confident	4 Å²	4	23.1 Å²	23.1	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-50.2	-39	-170.5	-176.9	163.9	0	0	0	113.8	A393 L397 E468 F471 I475 H628 L629 E634 A635 L636	A393-I632 HydrophobicContact CB-CD1 4.1Å; L397-I632 HydrophobicContact CD1-CG1 4.32Å; E468-I632 HydrophobicContact CG-CG2 4.17Å; F471-I632 HydrophobicContact CB-CD1 3.73Å; F471-I632 HydrophobicContact CD2-CD1 3.83Å; F471-I632 HydrophobicContact CG-CD1 4.05Å; I475-I632 HydrophobicContact CD1-CB 4.45Å; I475-I632 HydrophobicContact CD1-CD1 3.91Å; H628-I632 PolarHBondContact O-N 2.89Å; L629-I632 WeakPolarHBondContact O-CB 3.47Å; L629-I632 PolarHBondContact O-N 2.74Å; I632-E634 PolarHBondContact O-N 3.31Å; I632-A635 PolarHBondContact O-N 2.86Å; I632-L636 WeakPolarHBondContact O-CB 3.48Å; I632-L636 PolarHBondContact O-N 2.94Å
633	S	83.7	Confident	89.2	Confident	35 Å²	35	20.2 Å²	20.2	25%	0.245	10%	0.104	C	C	.	.	H	α-helix	trans	-66.5	-36.1	179.7	8.3	0	0	0	0	113	E468 N631 Q637	E468-S633 VanDerWaalsContact OE1-CB 3.23Å; E468-S633 WeakPolarHBondContact OE1-CB 3.47Å; E468-S633 PolarHBondContact OE1-OG 3.08Å; N631-S633 PolarHBondContact O-N 3.02Å; N631-S633 VanDerWaalsContact O-N 3.09Å; S633-Q637 PolarHBondContact O-N 3.29Å
634	E	85.8	Confident	89.5	Confident	47 Å²	47	21.5 Å²	21.5	22%	0.22	11%	0.111	C	C	.	.	H	α-helix	trans	-74.7	-44.7	172.8	-171.2	-174.7	-173.2	0	0	110.9	N631 I632 L636 Q637 Q638	N631-E634 PolarHBondContact O-N 3.15Å; I632-E634 PolarHBondContact O-N 3.31Å; E634-L636 VanDerWaalsContact C-N 3.26Å; E634-L636 PolarHBondContact O-N 3.44Å; E634-Q637 PolarHBondContact O-N 2.72Å; E634-Q638 HydrophobicContact CG-CG 4.44Å; E634-Q638 WeakPolarHBondContact O-CG 3.27Å; E634-Q638 PolarHBondContact O-N 3.15Å; E634-Q638 PolarHBondContact OE1-NE2 2.75Å
635	A	89.5	Confident	89.7	Confident	4 Å²	4	20.1 Å²	20.1	3%	0.033	10%	0.104	C	C	.	.	H	α-helix	trans	-59.2	-39.1	177	0	0	0	0	0	111.8	L255 L397 H628 N631 I632 Q638 C639	L255-A635 HydrophobicContact CD2-CB 4.14Å; L397-A635 HydrophobicContact CD1-CB 4.19Å; L397-A635 HydrophobicContact CD2-CB 4.49Å; H628-A635 HydrophobicContact CB-CB 4.19Å; N631-A635 PolarHBondContact O-N 3.27Å; I632-A635 PolarHBondContact O-N 2.86Å; A635-Q638 PolarHBondContact O-N 3.11Å; A635-C639 WeakPolarHBondContact O-CB 3.33Å; A635-C639 PolarHBondContact O-N 3.49Å; A635-C639 PolarHBondContact O-SG 2.86Å
636	L	90.8	Very high	90	Very high	13 Å²	13	19.1 Å²	19.1	7%	0.068	10%	0.1	C	C	.	.	H	α-helix	trans	-62	-48.3	176.7	-178.9	62	0	0	0	111.6	L397 L400 Q461 M464 I632 E634 C639 C640	L397-L636 HydrophobicContact CD2-CB 3.89Å; L397-L636 HydrophobicContact CD2-CD1 3.9Å; L400-L636 HydrophobicContact CD1-CD1 3.42Å; L400-L636 VanDerWaalsContact CD1-CD1 3.42Å; Q461-L636 HydrophobicContact CG-CD1 4.28Å; Q461-L636 HydrophobicContact CG-CD2 4.4Å; Q461-L636 HydrophobicContact CG-CG 4.13Å; M464-L636 HydrophobicContact CB-CD1 3.79Å; M464-L636 HydrophobicContact CB-CD2 3.99Å; M464-L636 HydrophobicContact CG-CD1 4.36Å; I632-L636 WeakPolarHBondContact O-CB 3.48Å; I632-L636 PolarHBondContact O-N 2.94Å; E634-L636 VanDerWaalsContact C-N 3.26Å; E634-L636 PolarHBondContact O-N 3.44Å; L636-C639 PolarHBondContact O-N 3.13Å; L636-C640 PolarHBondContact O-N 2.73Å; L636-C640 PolarHBondContact O-SG 2.84Å
637	Q	90.2	Very high	90.4	Very high	42 Å²	42	19.1 Å²	19.1	20%	0.196	10%	0.1	C	C	.	.	H	α-helix	trans	-58.9	-48.1	173.8	-74.4	-178	-26.1	0	0	111.8	M37 S633 E634 C639 C640 D641	M37-Q637 PolarHBondContact SD-NE2 2.64Å; S633-Q637 PolarHBondContact O-N 3.29Å; E634-Q637 PolarHBondContact O-N 2.72Å; Q637-C639 VanDerWaalsContact C-N 3.26Å; Q637-C639 PolarHBondContact O-N 2.94Å; Q637-C640 CarbonylContact O-C 3.56Å; Q637-C640 PolarHBondContact O-N 2.61Å; Q637-D641 PolarHBondContact O-N 3.28Å; Q637-D641 VanDerWaalsContact O-N 3.08Å
638	Q	90.7	Very high	90.9	Very high	65 Å²	65	17.6 Å²	17.6	30%	0.304	9%	0.09	S	C	.	.	H	α-helix	trans	-66.7	-25.5	-179.1	-65.7	179.5	9.7	0	0	113.2	T256 P257 E634 A635 C640	T256-Q638 HydrophobicContact CG2-CB 3.71Å; P257-Q638 WeakPolarHBondContact CD-O 3.27Å; E634-Q638 HydrophobicContact CG-CG 4.44Å; E634-Q638 WeakPolarHBondContact O-CG 3.27Å; E634-Q638 PolarHBondContact O-N 3.15Å; E634-Q638 PolarHBondContact OE1-NE2 2.75Å; A635-Q638 PolarHBondContact O-N 3.11Å; Q638-C640 VanDerWaalsContact C-N 3.34Å
639	C	94.1	Very high	91.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-79.6	-14.7	172.1	-66.5	0	0	0	0	113.4	L400 S404 A635 L636 Q637	L400-C639 CarbonylContact C-O 3.6Å; L400-C639 HydrophobicContact CB-CB 4.15Å; S404-C639 WeakPolarHBondContact CB-O 3.32Å; S404-C639 PolarHBondContact OG-O 2.86Å; A635-C639 WeakPolarHBondContact O-CB 3.33Å; A635-C639 PolarHBondContact O-N 3.49Å; A635-C639 PolarHBondContact O-SG 2.86Å; L636-C639 PolarHBondContact O-N 3.13Å; Q637-C639 VanDerWaalsContact C-N 3.26Å; Q637-C639 PolarHBondContact O-N 2.94Å
640	C	93.1	Very high	91.7	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.014	9%	0.094	C	C	.	.	S	Bend	trans	-116.4	13	-178	-53.9	0	0	0	0	113.2	I457 Q461 L636 Q637 Q638 L642	I457-C640 HydrophobicContact CG2-CB 3.87Å; Q461-C640 HydrophobicContact CG-CB 4.18Å; L636-C640 PolarHBondContact O-N 2.73Å; L636-C640 PolarHBondContact O-SG 2.84Å; Q637-C640 CarbonylContact O-C 3.56Å; Q637-C640 PolarHBondContact O-N 2.61Å; Q638-C640 VanDerWaalsContact C-N 3.34Å; C640-L642 PolarHBondContact O-N 2.91Å; C640-L642 VanDerWaalsContact O-N 3.17Å
641	D	91.5	Very high	92.2	Very high	61 Å²	61	18 Å²	18	33%	0.326	9%	0.091	S	C	.	.			trans	-73.2	109	-175.6	-174.4	8.6	0	0	0	111.5	Q637 S643	Q637-D641 PolarHBondContact O-N 3.28Å; Q637-D641 VanDerWaalsContact O-N 3.08Å; D641-S643 WeakPolarHBondContact OD1-CB 3.28Å; D641-S643 PolarHBondContact OD1-N 3.44Å; D641-S643 PolarHBondContact OD1-OG 2.95Å
642	L	94.6	Very high	92.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.089	C	C	.	.			trans	-116.3	9.6	176.7	-57.4	173.7	0	0	0	112.1	V407 M408 I454 I457 C640 Q644 L645 L694	V407-L642 HydrophobicContact CB-CD2 4.24Å; V407-L642 HydrophobicContact CG1-CD2 4.16Å; M408-L642 HydrophobicContact CE-CB 4.43Å; M408-L642 HydrophobicContact CE-CD2 3.55Å; I454-L642 HydrophobicContact CB-CD1 4.44Å; I454-L642 HydrophobicContact CG1-CD1 4.12Å; I454-L642 HydrophobicContact CG2-CD1 4.07Å; I457-L642 HydrophobicContact CD1-CD1 4.18Å; I457-L642 HydrophobicContact CD1-CD2 4.32Å; I457-L642 HydrophobicContact CG2-CD1 4.35Å; C640-L642 PolarHBondContact O-N 2.91Å; C640-L642 VanDerWaalsContact O-N 3.17Å; L642-Q644 PolarHBondContact O-N 3.44Å; L642-Q644 VanDerWaalsContact O-N 3.09Å; L642-L645 HydrophobicContact CB-CD1 4.35Å; L642-L645 WeakPolarHBondContact O-CG 3.45Å; L642-L645 PolarHBondContact O-N 3.04Å; L642-L694 HydrophobicContact CB-CD2 3.62Å; L642-L694 HydrophobicContact CD1-CD2 3.91Å; L642-L694 HydrophobicContact CG-CD2 4.44Å
643	S	93.9	Very high	93.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-59.9	-22.9	-174.5	61.4	0	0	0	0	114.5	D641 L645 F647 D697 S698 Y701	D641-S643 WeakPolarHBondContact OD1-CB 3.28Å; D641-S643 PolarHBondContact OD1-N 3.44Å; D641-S643 PolarHBondContact OD1-OG 2.95Å; S643-L645 PolarHBondContact O-N 2.89Å; S643-F647 WeakPolarHBondContact O-CD2 3.39Å; S643-F647 WeakPolarHBondContact O-CE2 3.19Å; S643-D697 WeakPolarHBondContact CB-O 3.43Å; S643-S698 PolarHBondContact O-OG 3.36Å; S643-Y701 WeakPolarHBondContact OG-CD2 3.23Å
644	Q	94.9	Very high	93.6	Very high	27 Å²	27	20.5 Å²	20.5	13%	0.126	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-77.2	-4.4	-175.6	-52.8	-55	-69.2	0	0	113.9	L642 W646	L642-Q644 PolarHBondContact O-N 3.44Å; L642-Q644 VanDerWaalsContact O-N 3.09Å; Q644-W646 VanDerWaalsContact C-N 3.35Å
645	L	95.4	Very high	93.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-71.1	-25	177	-69.4	174.7	0	0	0	113.9	V407 M408 Y411 L642 S643 M668 L694	V407-L645 HydrophobicContact CG1-CD1 4.43Å; M408-L645 HydrophobicContact CE-CD1 3.94Å; M408-L645 HydrophobicContact CE-CD2 3.71Å; M408-L645 HydrophobicContact CE-CG 3.66Å; Y411-L645 HydrophobicContact CD1-CD2 3.73Å; Y411-L645 HydrophobicContact CD2-CD2 3.75Å; Y411-L645 HydrophobicContact CE1-CD2 4.06Å; Y411-L645 HydrophobicContact CE2-CD2 4.12Å; Y411-L645 HydrophobicContact CG-CD2 3.55Å; L642-L645 HydrophobicContact CB-CD1 4.35Å; L642-L645 WeakPolarHBondContact O-CG 3.45Å; L642-L645 PolarHBondContact O-N 3.04Å; S643-L645 PolarHBondContact O-N 2.89Å; L645-M668 HydrophobicContact CB-CB 4.18Å; L645-M668 WeakPolarHBondContact O-CB 3.36Å; L645-L694 HydrophobicContact CD1-CD1 3.78Å; L645-L694 HydrophobicContact CD1-CD2 4.08Å
646	W	97.5	Very high	94.1	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-39	-179.3	-177	84.8	0	0	0	113.6	Q644 R648 P669 Y695 S698 L711 E714 I715 E718	Q644-W646 VanDerWaalsContact C-N 3.35Å; W646-R648 WeakPolarHBondContact O-CD 3.45Å; W646-R648 PolarHBondContact O-NH1 3.45Å; W646-P669 HydrophobicContact CB-CG 4.25Å; W646-Y695 AromaticContact CD1-CE1 3.61Å; W646-Y695 AromaticContact NE1-CE1 3.88Å; W646-S698 WeakPolarHBondContact CB-OG 3.42Å; W646-L711 HydrophobicContact CZ3-CD2 4.46Å; W646-E714 HydrophobicContact CH2-CB 3.84Å; W646-E714 HydrophobicContact CZ2-CB 4.16Å; W646-I715 HydrophobicContact CD2-CD1 4.27Å; W646-I715 HydrophobicContact CD2-CG1 3.63Å; W646-I715 HydrophobicContact CE3-CD1 3.78Å; W646-I715 HydrophobicContact CE3-CG1 3.53Å; W646-I715 HydrophobicContact CG-CG1 4.48Å; W646-I715 HydrophobicContact CH2-CD1 4.39Å; W646-I715 HydrophobicContact CH2-CG1 3.57Å; W646-I715 HydrophobicContact CZ2-CB 4.49Å; W646-I715 HydrophobicContact CZ2-CG1 3.65Å; W646-I715 HydrophobicContact CZ3-CD1 3.86Å; W646-I715 HydrophobicContact CZ3-CG1 3.5Å; W646-E718 PolarHBondContact NE1-OE1 3.3Å; W646-E718 VanDerWaalsContact NE1-OE1 3.15Å; W646-E718 PolarHBondContact NE1-OE2 3.31Å
647	F	96.8	Very high	94.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.			trans	-65.3	144.7	-174.8	-61.9	-68	0	0	0	112.4	D310 S643 S698 Y701 A702 F706 L711 I715	D310-F647 WeakPolarHBondContact CB-O 3.46Å; S643-F647 WeakPolarHBondContact O-CD2 3.39Å; S643-F647 WeakPolarHBondContact O-CE2 3.19Å; F647-S698 VanDerWaalsContact CZ-O 3.29Å; F647-S698 WeakPolarHBondContact CZ-O 3.38Å; F647-Y701 AromaticContact CE2-CD1 3.88Å; F647-Y701 HydrophobicContact CE2-CD1 3.88Å; F647-Y701 HydrophobicContact CE2-CG 4.2Å; F647-Y701 HydrophobicContact CZ-CD1 4.22Å; F647-A702 HydrophobicContact CE1-CB 4.17Å; F647-A702 HydrophobicContact CZ-CB 4.05Å; F647-F706 HydrophobicContact CD1-CD2 4.22Å; F647-F706 AromaticContact CD1-CE2 3.72Å; F647-F706 HydrophobicContact CD1-CE2 3.72Å; F647-F706 AromaticContact CD2-CE2 3.75Å; F647-F706 HydrophobicContact CD2-CE2 3.75Å; F647-F706 AromaticContact CE1-CD2 3.73Å; F647-F706 HydrophobicContact CE1-CD2 3.73Å; F647-F706 AromaticContact CE1-CE2 3.64Å; F647-F706 HydrophobicContact CE1-CE2 3.64Å; F647-F706 HydrophobicContact CE2-CD2 4.2Å; F647-F706 AromaticContact CE2-CE2 3.67Å; F647-F706 HydrophobicContact CE2-CE2 3.67Å; F647-F706 AromaticContact CG-CE2 3.79Å; F647-F706 HydrophobicContact CG-CE2 3.79Å; F647-F706 AromaticContact CZ-CD2 3.71Å; F647-F706 HydrophobicContact CZ-CD2 3.71Å; F647-F706 AromaticContact CZ-CE2 3.6Å; F647-F706 HydrophobicContact CZ-CE2 3.6Å; F647-L711 HydrophobicContact CD1-CD1 4.46Å; F647-L711 HydrophobicContact CE1-CB 4.45Å; F647-L711 HydrophobicContact CE1-CD1 4.1Å; F647-I715 HydrophobicContact CE1-CD1 4.25Å; F647-I715 HydrophobicContact CZ-CD1 4.45Å
648	R	96.4	Very high	94.2	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	18%	0.175	C	C	.	.			trans	-155.6	29.2	-168	51.6	-156.2	-176.3	-127.5	13.1	114.5	D310 Y434 W646 F650 F651 L652 F662 S667 E718	D310-R648 VanDerWaalsContact CG-CA 3.4Å; D310-R648 VanDerWaalsContact OD2-CA 3.26Å; D310-R648 WeakPolarHBondContact OD2-CA 3.19Å; Y434-R648 HydrophobicContact CE1-CB 4.31Å; Y434-R648 HydrophobicContact CE2-CB 4.18Å; Y434-R648 WeakPolarHBondContact OH-CD 3.41Å; W646-R648 WeakPolarHBondContact O-CD 3.45Å; W646-R648 PolarHBondContact O-NH1 3.45Å; R648-F650 VanDerWaalsContact C-N 3.34Å; R648-F650 PolarHBondContact O-N 3.23Å; R648-F651 PolarHBondContact O-N 3.17Å; R648-L652 HydrophobicContact CG-CD1 4.43Å; R648-L652 WeakPolarHBondContact O-CB 3.17Å; R648-L652 VanDerWaalsContact O-CG 3.29Å; R648-L652 WeakPolarHBondContact O-CG 3.39Å; R648-L652 PolarHBondContact O-N 3.28Å; R648-F662 HydrophobicContact CB-CD2 4.23Å; R648-F662 HydrophobicContact CB-CE2 4.38Å; R648-F662 HydrophobicContact CG-CD2 3.91Å; R648-F662 HydrophobicContact CG-CE2 4.48Å; R648-F662 PolarHBondContact NH2-O 3.36Å; R648-S667 PolarHBondContact NH1-OG 2.74Å; R648-E718 IonicContact CZ-OE2 3.84Å; R648-E718 IonicContact NH1-OE2 2.71Å; R648-E718 IonicContact NH2-OE2 2.78Å; R648-E718 PolarHBondContact NH2-OE2 2.82Å
649	E	95.8	Very high	94.2	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-69.2	-26	-174.8	-63.6	-61.1	119	0	0	114.1	Y84 R87 D310 E653 L711	Y84-E649 HydrophobicContact CD1-CB 4.35Å; Y84-E649 HydrophobicContact CD1-CG 4.26Å; Y84-E649 HydrophobicContact CD2-CB 4.28Å; Y84-E649 HydrophobicContact CE1-CB 3.91Å; Y84-E649 HydrophobicContact CE1-CG 3.75Å; Y84-E649 HydrophobicContact CE2-CB 3.84Å; Y84-E649 WeakPolarHBondContact O-CB 3.32Å; Y84-E649 PolarHBondContact OH-N 3.18Å; R87-E649 WeakPolarHBondContact CG-OE2 3.2Å; R87-E649 IonicContact CZ-OE1 3.73Å; R87-E649 IonicContact CZ-OE2 2.75Å; R87-E649 IonicContact NE-OE1 2.73Å; R87-E649 PolarHBondContact NE-OE1 2.87Å; R87-E649 IonicContact NE-OE2 3.62Å; R87-E649 PolarHBondContact NE-OE2 3.32Å; R87-E649 IonicContact NH2-OE1 3.49Å; R87-E649 PolarHBondContact NH2-OE1 3.1Å; R87-E649 IonicContact NH2-OE2 3.05Å; D310-E649 PolarHBondContact OD1-N 3.48Å; D310-E649 VanDerWaalsContact OD1-N 3.16Å; E649-E653 WeakPolarHBondContact O-CB 3.38Å; E649-E653 PolarHBondContact O-N 3.26Å; E649-E653 VanDerWaalsContact O-N 3.17Å; E649-L711 HydrophobicContact CG-CD2 4.49Å
650	F	95	Very high	94.2	Very high	43 Å²	43	42.4 Å²	42.4	19%	0.189	21%	0.208	C	C	.	.	H	α-helix	trans	-73.5	-48.5	173.7	161.3	-95.7	0	0	0	110.4	M177 D310 M311 R648 L652 E653 L654	M177-F650 HydrophobicContact CB-CD2 4.06Å; M177-F650 HydrophobicContact CB-CE2 4.13Å; M177-F650 HydrophobicContact CE-CB 4.19Å; M177-F650 HydrophobicContact CE-CD2 4.4Å; M177-F650 HydrophobicContact CG-CD2 3.94Å; M177-F650 HydrophobicContact CG-CE2 4.46Å; M177-F650 HydrophobicContact SD-CB 4.5Å; M177-F650 HydrophobicContact SD-CD2 3.98Å; D310-F650 PolarHBondContact OD1-N 3.26Å; D310-F650 WeakPolarHBondContact OD2-CA 3.42Å; D310-F650 WeakPolarHBondContact OD2-CB 3.49Å; D310-F650 PolarHBondContact OD2-N 3Å; M311-F650 HydrophobicContact CB-CB 4.03Å; M311-F650 HydrophobicContact CB-CD2 4.14Å; M311-F650 HydrophobicContact CB-CG 3.99Å; M311-F650 HydrophobicContact CG-CD2 3.89Å; M311-F650 HydrophobicContact CG-CE2 4.12Å; M311-F650 HydrophobicContact CG-CG 4.2Å; M311-F650 HydrophobicContact SD-CD2 4.2Å; M311-F650 HydrophobicContact SD-CE2 4.47Å; R648-F650 VanDerWaalsContact C-N 3.34Å; R648-F650 PolarHBondContact O-N 3.23Å; F650-L652 VanDerWaalsContact C-N 3.29Å; F650-L652 PolarHBondContact O-N 2.82Å; F650-E653 WeakPolarHBondContact O-CB 3.38Å; F650-E653 PolarHBondContact O-N 3.05Å; F650-L654 HydrophobicContact CD1-CD1 4.29Å; F650-L654 HydrophobicContact CE1-CD1 3.66Å; F650-L654 HydrophobicContact CE1-CG 4.46Å; F650-L654 HydrophobicContact CE2-CD1 4.25Å; F650-L654 HydrophobicContact CE2-CD2 4.44Å; F650-L654 HydrophobicContact CE2-CG 4.37Å; F650-L654 HydrophobicContact CZ-CD1 3.64Å; F650-L654 HydrophobicContact CZ-CG 4.25Å; F650-L654 WeakPolarHBondContact O-CG 3.37Å; F650-L654 PolarHBondContact O-N 2.8Å
651	F	95.2	Very high	94.3	Very high	14 Å²	14	44 Å²	44	6%	0.061	22%	0.216	C	C	.	.	H	α-helix	trans	-62.4	-34.7	174.8	-77.7	-78.3	0	0	0	112.6	D310 L415 E433 Y434 A437 R648 L654 T655 F662	D310-F651 HydrophobicContact CB-CD2 4.27Å; D310-F651 VanDerWaalsContact OD2-CD2 3.26Å; D310-F651 WeakPolarHBondContact OD2-CD2 3.21Å; D310-F651 PolarHBondContact OD2-N 3.4Å; L415-F651 HydrophobicContact CB-CE2 4.29Å; L415-F651 HydrophobicContact CB-CZ 4.36Å; L415-F651 HydrophobicContact CD1-CE2 4.22Å; L415-F651 HydrophobicContact CD2-CE2 3.8Å; L415-F651 HydrophobicContact CD2-CZ 4.23Å; L415-F651 HydrophobicContact CG-CE2 4.32Å; E433-F651 HydrophobicContact CG-CE1 4.33Å; Y434-F651 HydrophobicContact CD2-CB 3.74Å; Y434-F651 AromaticContact CD2-CD1 3.87Å; Y434-F651 HydrophobicContact CD2-CD1 3.87Å; Y434-F651 AromaticContact CD2-CD2 3.43Å; Y434-F651 HydrophobicContact CD2-CD2 3.43Å; Y434-F651 VanDerWaalsContact CD2-CD2 3.43Å; Y434-F651 HydrophobicContact CD2-CE1 4.34Å; Y434-F651 AromaticContact CD2-CE2 3.98Å; Y434-F651 HydrophobicContact CD2-CE2 3.98Å; Y434-F651 AromaticContact CD2-CG 3.38Å; Y434-F651 HydrophobicContact CD2-CG 3.38Å; Y434-F651 HydrophobicContact CD2-CZ 4.39Å; Y434-F651 HydrophobicContact CE2-CB 4.39Å; Y434-F651 AromaticContact CE2-CD2 3.74Å; Y434-F651 HydrophobicContact CE2-CD2 3.74Å; Y434-F651 HydrophobicContact CE2-CE2 4.27Å; Y434-F651 HydrophobicContact CE2-CG 4.11Å; Y434-F651 HydrophobicContact CG-CB 4.08Å; Y434-F651 HydrophobicContact CG-CD1 4.39Å; Y434-F651 HydrophobicContact CG-CG 4.09Å; A437-F651 HydrophobicContact CB-CZ 4.48Å; R648-F651 PolarHBondContact O-N 3.17Å; F651-L654 HydrophobicContact CD1-CD1 4.37Å; F651-L654 PolarHBondContact O-N 3.17Å; F651-T655 VanDerWaalsContact O-CG2 3.27Å; F651-T655 WeakPolarHBondContact O-CG2 3.39Å; F651-T655 PolarHBondContact O-N 3.46Å; F651-F662 HydrophobicContact CB-CE2 3.72Å; F651-F662 HydrophobicContact CB-CZ 3.86Å
652	L	95.6	Very high	94.5	Very high	11 Å²	11	41.5 Å²	41.5	6%	0.058	20%	0.202	C	C	.	.	H	α-helix	trans	-63.1	-44	173.3	-76.1	171.1	0	0	0	112.6	R648 F650 L654 T655 R659 F662	R648-L652 HydrophobicContact CG-CD1 4.43Å; R648-L652 WeakPolarHBondContact O-CB 3.17Å; R648-L652 VanDerWaalsContact O-CG 3.29Å; R648-L652 WeakPolarHBondContact O-CG 3.39Å; R648-L652 PolarHBondContact O-N 3.28Å; F650-L652 VanDerWaalsContact C-N 3.29Å; F650-L652 PolarHBondContact O-N 2.82Å; L652-L654 VanDerWaalsContact C-N 3.33Å; L652-L654 PolarHBondContact O-N 2.99Å; L652-T655 WeakPolarHBondContact O-CB 3.44Å; L652-T655 PolarHBondContact O-N 3.12Å; L652-T655 VanDerWaalsContact O-N 3.16Å; L652-T655 PolarHBondContact O-OG1 2.84Å; L652-R659 HydrophobicContact CD2-CB 3.91Å; L652-F662 HydrophobicContact CB-CE2 4.43Å; L652-F662 HydrophobicContact CD2-CD2 3.65Å; L652-F662 HydrophobicContact CD2-CE2 3.57Å; L652-F662 HydrophobicContact CD2-CG 4.34Å; L652-F662 HydrophobicContact CD2-CZ 4.18Å; L652-F662 HydrophobicContact CG-CD2 3.92Å; L652-F662 HydrophobicContact CG-CE2 3.64Å
653	E	94.6	Very high	94.6	Very high	20 Å²	20	43.1 Å²	43.1	9%	0.093	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-42.9	175.3	-176.4	71.4	-159.7	0	0	111.3	M177 K178 C179 S180 E649 F650 T655 M656	M177-E653 WeakPolarHBondContact O-CG 3.09Å; M177-E653 HydrophobicContact SD-CB 4.28Å; M177-E653 HydrophobicContact SD-CG 4.14Å; K178-E653 HydrophobicContact CD-CB 4.48Å; K178-E653 HydrophobicContact CD-CG 4.04Å; K178-E653 WeakPolarHBondContact CD-OE2 3.45Å; K178-E653 IonicContact NZ-OE2 3.22Å; C179-E653 WeakPolarHBondContact CA-OE1 3.05Å; C179-E653 WeakPolarHBondContact CB-OE1 3.31Å; C179-E653 PolarHBondContact N-OE1 3.49Å; S180-E653 WeakPolarHBondContact CB-OE2 3.49Å; S180-E653 PolarHBondContact N-OE1 2.82Å; S180-E653 VanDerWaalsContact OG-CD 3.24Å; S180-E653 PolarHBondContact OG-OE1 2.92Å; S180-E653 VanDerWaalsContact OG-OE1 3.09Å; S180-E653 PolarHBondContact OG-OE2 3.4Å; E649-E653 WeakPolarHBondContact O-CB 3.38Å; E649-E653 PolarHBondContact O-N 3.26Å; E649-E653 VanDerWaalsContact O-N 3.17Å; F650-E653 WeakPolarHBondContact O-CB 3.38Å; F650-E653 PolarHBondContact O-N 3.05Å; E653-T655 PolarHBondContact O-N 3.48Å; E653-M656 PolarHBondContact O-N 3.25Å
654	L	93.7	Very high	94.7	Very high	78 Å²	78	44.2 Å²	44.2	41%	0.408	22%	0.218	S	C	.	.	H	α-helix	trans	-61.6	-24.8	176.7	-68.1	-176.5	0	0	0	113.7	F650 F651 L652 M656	F650-L654 HydrophobicContact CD1-CD1 4.29Å; F650-L654 HydrophobicContact CE1-CD1 3.66Å; F650-L654 HydrophobicContact CE1-CG 4.46Å; F650-L654 HydrophobicContact CE2-CD1 4.25Å; F650-L654 HydrophobicContact CE2-CD2 4.44Å; F650-L654 HydrophobicContact CE2-CG 4.37Å; F650-L654 HydrophobicContact CZ-CD1 3.64Å; F650-L654 HydrophobicContact CZ-CG 4.25Å; F650-L654 WeakPolarHBondContact O-CG 3.37Å; F650-L654 PolarHBondContact O-N 2.8Å; F651-L654 HydrophobicContact CD1-CD1 4.37Å; F651-L654 PolarHBondContact O-N 3.17Å; L652-L654 VanDerWaalsContact C-N 3.33Å; L652-L654 PolarHBondContact O-N 2.99Å; L654-M656 PolarHBondContact O-N 3.09Å; L654-M656 VanDerWaalsContact O-N 3.11Å
655	T	93.4	Very high	94.7	Very high	26 Å²	26	46.5 Å²	46.5	16%	0.16	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-6	173.4	79	0	0	0	0	113.5	F651 L652 E653 G657 R658 R659 F662	F651-T655 VanDerWaalsContact O-CG2 3.27Å; F651-T655 WeakPolarHBondContact O-CG2 3.39Å; F651-T655 PolarHBondContact O-N 3.46Å; L652-T655 WeakPolarHBondContact O-CB 3.44Å; L652-T655 PolarHBondContact O-N 3.12Å; L652-T655 VanDerWaalsContact O-N 3.16Å; L652-T655 PolarHBondContact O-OG1 2.84Å; E653-T655 PolarHBondContact O-N 3.48Å; T655-G657 PolarHBondContact O-N 3.49Å; T655-G657 VanDerWaalsContact O-N 3.14Å; T655-R658 VanDerWaalsContact O-CB 3.23Å; T655-R658 WeakPolarHBondContact O-CB 3.47Å; T655-R658 PolarHBondContact O-N 3.4Å; T655-R659 HydrophobicContact CG2-CB 3.84Å; T655-R659 HydrophobicContact CG2-CG 3.83Å; T655-R659 PolarHBondContact OG1-N 3.36Å; T655-R659 VanDerWaalsContact OG1-N 3.13Å; T655-R659 PolarHBondContact OG1-O 3.05Å; T655-F662 HydrophobicContact CG2-CE1 3.96Å; T655-F662 HydrophobicContact CG2-CZ 3.71Å
656	M	92.2	Very high	94.8	Very high	146 Å²	146	46.7 Å²	46.7	72%	0.719	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	34.7	-178.8	-62.8	178.2	-78.6	0	0	112.9	R91 E653 L654	R91-M656 VanDerWaalsContact CZ-C 3.47Å; R91-M656 PolarHBondContact NH1-O 3.39Å; R91-M656 PolarHBondContact NH2-O 2.74Å; E653-M656 PolarHBondContact O-N 3.25Å; L654-M656 PolarHBondContact O-N 3.09Å; L654-M656 VanDerWaalsContact O-N 3.11Å
657	G	90.7	Very high	94.8	Very high	44 Å²	44	46.6 Å²	46.6	45%	0.454	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	11.4	-179.8	0	0	0	0	0	115.2	T655	T655-G657 PolarHBondContact O-N 3.49Å; T655-G657 VanDerWaalsContact O-N 3.14Å
658	R	92.4	Very high	94.7	Very high	201 Å²	201	46.6 Å²	46.6	76%	0.758	23%	0.229	S	C	*	.	S	Bend	trans	-70.6	-33.2	169.8	179.3	-179.1	172.9	-168.1	-4.7	112	T655	T655-R658 VanDerWaalsContact O-CB 3.23Å; T655-R658 WeakPolarHBondContact O-CB 3.47Å; T655-R658 PolarHBondContact O-N 3.4Å
659	R	92.3	Very high	94.7	Very high	80 Å²	80	46.6 Å²	46.6	30%	0.302	23%	0.229	S	C	.	.			trans	-110.4	136.3	171.5	-65.6	-69.1	-169.6	174.1	-0.8	109	E432 L652 T655 F662	E432-R659 IonicContact OE1-CZ 2.89Å; E432-R659 VanDerWaalsContact OE1-CZ 3.28Å; E432-R659 IonicContact OE1-NE 3.49Å; E432-R659 PolarHBondContact OE1-NE 2.98Å; E432-R659 VanDerWaalsContact OE1-NE 3.15Å; E432-R659 IonicContact OE1-NH2 3.89Å; E432-R659 PolarHBondContact OE1-NH2 3.38Å; E432-R659 IonicContact OE2-CZ 3.71Å; E432-R659 IonicContact OE2-NE 3.42Å; E432-R659 PolarHBondContact OE2-NE 3.21Å; E432-R659 VanDerWaalsContact OE2-NE 3.11Å; L652-R659 HydrophobicContact CD2-CB 3.91Å; T655-R659 HydrophobicContact CG2-CB 3.84Å; T655-R659 HydrophobicContact CG2-CG 3.83Å; T655-R659 PolarHBondContact OG1-N 3.36Å; T655-R659 VanDerWaalsContact OG1-N 3.13Å; T655-R659 PolarHBondContact OG1-O 3.05Å; R659-F662 HydrophobicContact CB-CE1 4.49Å; R659-F662 HydrophobicContact CG-CD1 4.11Å; R659-F662 HydrophobicContact CG-CE1 3.95Å
660	I	93.1	Very high	94.9	Very high	134 Å²	134	46.9 Å²	46.9	69%	0.687	23%	0.23	S	C	*	.	S	Bend	trans	-88.2	-35.8	163.1	-175.5	58.4	0	0	0	110.6
661	Q	94.7	Very high	95	Very high	37 Å²	37	45.6 Å²	45.6	17%	0.173	23%	0.225	C	C	.	.	S	Bend	trans	-151	156	171.3	-170.4	45	-84.7	0	0	108.2	E714	Q661-E714 PolarHBondContact NE2-OE2 2.87Å
662	F	96.1	Very high	95.1	Very high	8 Å²	8	44.9 Å²	44.9	4%	0.035	22%	0.222	C	C	.	.			trans	-84.4	146.6	171.5	-64.3	-75.3	0	0	0	111.1	E432 Y434 R648 F651 L652 T655 R659 M666	E432-F662 WeakPolarHBondContact OE2-CE1 3.42Å; Y434-F662 HydrophobicContact CD1-CB 4.16Å; Y434-F662 AromaticContact CD1-CD1 3.86Å; Y434-F662 HydrophobicContact CD1-CD1 3.86Å; Y434-F662 AromaticContact CD1-CD2 3.61Å; Y434-F662 HydrophobicContact CD1-CD2 3.61Å; Y434-F662 HydrophobicContact CD1-CE1 4.11Å; Y434-F662 AromaticContact CD1-CE2 3.84Å; Y434-F662 HydrophobicContact CD1-CE2 3.84Å; Y434-F662 AromaticContact CD1-CG 3.61Å; Y434-F662 HydrophobicContact CD1-CG 3.61Å; Y434-F662 HydrophobicContact CD1-CZ 4.09Å; Y434-F662 HydrophobicContact CE1-CB 4.29Å; Y434-F662 AromaticContact CE1-CD2 3.9Å; Y434-F662 HydrophobicContact CE1-CD2 3.9Å; Y434-F662 HydrophobicContact CE1-CE2 4.4Å; Y434-F662 HydrophobicContact CE1-CG 4.09Å; Y434-F662 HydrophobicContact CG-CD1 4.47Å; Y434-F662 HydrophobicContact CG-CD2 4.25Å; Y434-F662 HydrophobicContact CG-CE1 4.26Å; Y434-F662 HydrophobicContact CG-CE2 4Å; Y434-F662 HydrophobicContact CG-CG 4.47Å; Y434-F662 HydrophobicContact CG-CZ 4.02Å; R648-F662 HydrophobicContact CB-CD2 4.23Å; R648-F662 HydrophobicContact CB-CE2 4.38Å; R648-F662 HydrophobicContact CG-CD2 3.91Å; R648-F662 HydrophobicContact CG-CE2 4.48Å; R648-F662 PolarHBondContact NH2-O 3.36Å; F651-F662 HydrophobicContact CB-CE2 3.72Å; F651-F662 HydrophobicContact CB-CZ 3.86Å; L652-F662 HydrophobicContact CB-CE2 4.43Å; L652-F662 HydrophobicContact CD2-CD2 3.65Å; L652-F662 HydrophobicContact CD2-CE2 3.57Å; L652-F662 HydrophobicContact CD2-CG 4.34Å; L652-F662 HydrophobicContact CD2-CZ 4.18Å; L652-F662 HydrophobicContact CG-CD2 3.92Å; L652-F662 HydrophobicContact CG-CE2 3.64Å; T655-F662 HydrophobicContact CG2-CE1 3.96Å; T655-F662 HydrophobicContact CG2-CZ 3.71Å; R659-F662 HydrophobicContact CB-CE1 4.49Å; R659-F662 HydrophobicContact CG-CD1 4.11Å; R659-F662 HydrophobicContact CG-CE1 3.95Å; F662-M666 HydrophobicContact CB-CB 4.24Å; F662-M666 HydrophobicContact CB-SD 4.23Å; F662-M666 HydrophobicContact CD1-SD 3.76Å; F662-M666 HydrophobicContact CG-SD 4.37Å
663	P	96.4	Very high	95.1	Very high	34 Å²	34	44.4 Å²	44.4	22%	0.221	22%	0.219	C	C	.	.			trans	-74.7	165.9	179.7	36.1	-39.1	0	0	0	112.1	E665 M666	P663-E665 VanDerWaalsContact C-N 3.28Å; P663-E665 WeakPolarHBondContact CB-OE1 3.35Å; P663-E665 WeakPolarHBondContact CB-OE2 3.3Å; P663-E665 HydrophobicContact CG-CG 4.36Å; P663-E665 WeakPolarHBondContact CG-OE1 3.33Å; P663-E665 PolarHBondContact O-N 2.97Å; P663-M666 HydrophobicContact CG-CE 3.8Å; P663-M666 HydrophobicContact CG-CG 4.12Å; P663-M666 HydrophobicContact CG-SD 4.13Å; P663-M666 PolarHBondContact O-N 2.87Å
664	I	96.7	Very high	95.2	Very high	23 Å²	23	45.1 Å²	45.1	12%	0.118	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-63.3	-31	-167.2	68.4	178.4	0	0	0	113.3	M666 S667 W670 E718 L721	I664-M666 PolarHBondContact O-N 2.73Å; I664-M666 VanDerWaalsContact O-N 3.1Å; I664-S667 WeakPolarHBondContact O-CB 3.32Å; I664-S667 PolarHBondContact O-N 3.15Å; I664-W670 HydrophobicContact CB-CB 4.48Å; I664-W670 HydrophobicContact CB-CG 4.16Å; I664-W670 HydrophobicContact CD1-CG 4.46Å; I664-W670 HydrophobicContact CG1-CG 4.39Å; I664-E718 HydrophobicContact CG2-CG 3.88Å; I664-L721 HydrophobicContact CD1-CD2 4.11Å; I664-L721 HydrophobicContact CD1-CG 4.32Å; I664-L721 HydrophobicContact CG2-CD2 4.05Å
665	E	94.9	Very high	95.4	Very high	75 Å²	75	42.7 Å²	42.7	35%	0.35	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-65.8	-8.4	175.5	65.8	-85.4	-165.6	0	0	114.3	R439 P663 I671	R439-E665 WeakPolarHBondContact CB-O 3.22Å; R439-E665 WeakPolarHBondContact CD-O 3.45Å; R439-E665 WeakPolarHBondContact CG-O 3.25Å; P663-E665 VanDerWaalsContact C-N 3.28Å; P663-E665 WeakPolarHBondContact CB-OE1 3.35Å; P663-E665 WeakPolarHBondContact CB-OE2 3.3Å; P663-E665 HydrophobicContact CG-CG 4.36Å; P663-E665 WeakPolarHBondContact CG-OE1 3.33Å; P663-E665 PolarHBondContact O-N 2.97Å; E665-I671 WeakPolarHBondContact O-CD1 3.45Å; E665-I671 WeakPolarHBondContact O-CG1 3.5Å
666	M	97	Very high	95.6	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.015	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-104.1	-7.3	172.1	-53.2	-173.2	-171	0	0	113.1	E432 Y434 E435 T438 F662 P663 I664	E432-M666 HydrophobicContact CG-CE 4.21Å; E432-M666 HydrophobicContact CG-SD 4.28Å; Y434-M666 HydrophobicContact CD1-CB 3.94Å; Y434-M666 HydrophobicContact CD1-SD 4.48Å; Y434-M666 HydrophobicContact CE1-CB 4.01Å; Y434-M666 WeakPolarHBondContact CE1-O 3.35Å; E435-M666 HydrophobicContact CB-CE 3.78Å; E435-M666 HydrophobicContact CB-CG 4.15Å; E435-M666 HydrophobicContact CB-SD 3.81Å; E435-M666 HydrophobicContact CG-CE 3.86Å; E435-M666 HydrophobicContact CG-CG 4.06Å; E435-M666 HydrophobicContact CG-SD 4.24Å; T438-M666 PolarHBondContact OG1-O 2.54Å; F662-M666 HydrophobicContact CB-CB 4.24Å; F662-M666 HydrophobicContact CB-SD 4.23Å; F662-M666 HydrophobicContact CD1-SD 3.76Å; F662-M666 HydrophobicContact CG-SD 4.37Å; P663-M666 HydrophobicContact CG-CE 3.8Å; P663-M666 HydrophobicContact CG-CG 4.12Å; P663-M666 HydrophobicContact CG-SD 4.13Å; P663-M666 PolarHBondContact O-N 2.87Å; I664-M666 PolarHBondContact O-N 2.73Å; I664-M666 VanDerWaalsContact O-N 3.1Å
667	S	96.8	Very high	95.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.169	C	C	.	.			trans	-88.3	122.2	-175.5	-170.7	0	0	0	0	111	R648 I664 W670 I671 E718	R648-S667 PolarHBondContact NH1-OG 2.74Å; I664-S667 WeakPolarHBondContact O-CB 3.32Å; I664-S667 PolarHBondContact O-N 3.15Å; S667-W670 PolarHBondContact O-N 2.98Å; S667-W670 VanDerWaalsContact O-N 3.15Å; S667-I671 VanDerWaalsContact O-CG1 3.31Å; S667-I671 WeakPolarHBondContact O-CG1 3.47Å; S667-I671 PolarHBondContact O-N 3.49Å; S667-E718 WeakPolarHBondContact CB-OE1 3.18Å; S667-E718 PolarHBondContact OG-OE1 2.7Å
668	M	96.2	Very high	95.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-56.9	-44.8	-173.6	-69.8	-63	-61.4	0	0	114.4	Y411 T438 Y442 L645 W670 I671 L672	Y411-M668 HydrophobicContact CD2-CE 4.44Å; Y411-M668 HydrophobicContact CD2-CG 4.17Å; Y411-M668 HydrophobicContact CD2-SD 4.46Å; Y411-M668 HydrophobicContact CE2-CG 3.64Å; Y411-M668 HydrophobicContact CE2-SD 4.3Å; T438-M668 HydrophobicContact CG2-CG 4.21Å; T438-M668 HydrophobicContact CG2-SD 3.93Å; Y442-M668 HydrophobicContact CD2-CE 4.21Å; Y442-M668 HydrophobicContact CD2-SD 4.4Å; Y442-M668 HydrophobicContact CE1-CE 4.33Å; Y442-M668 HydrophobicContact CE2-CE 3.59Å; Y442-M668 HydrophobicContact CE2-SD 3.71Å; L645-M668 HydrophobicContact CB-CB 4.18Å; L645-M668 WeakPolarHBondContact O-CB 3.36Å; M668-W670 VanDerWaalsContact C-N 3.3Å; M668-W670 PolarHBondContact O-N 2.76Å; M668-I671 PolarHBondContact O-N 2.66Å; M668-I671 HydrophobicContact SD-CD1 4.24Å; M668-L672 VanDerWaalsContact O-CG 3.31Å; M668-L672 WeakPolarHBondContact O-CG 3.4Å; M668-L672 PolarHBondContact O-N 3.41Å; M668-L672 VanDerWaalsContact O-N 3.08Å
669	P	96.9	Very high	96	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58	-40.6	176.9	-26	36.3	0	0	0	113.1	W646 T673 L694 Y695	W646-P669 HydrophobicContact CB-CG 4.25Å; P669-T673 WeakPolarHBondContact O-CB 3.42Å; P669-T673 PolarHBondContact O-N 3.06Å; P669-T673 PolarHBondContact O-OG1 3.25Å; P669-L694 HydrophobicContact CB-CB 4.18Å; P669-L694 HydrophobicContact CB-CD1 4.28Å; P669-L694 HydrophobicContact CG-CB 4Å; P669-L694 HydrophobicContact CG-CD1 4.21Å; P669-Y695 HydrophobicContact CB-CD1 4.4Å; P669-Y695 HydrophobicContact CB-CD2 4.12Å; P669-Y695 HydrophobicContact CB-CE1 4Å; P669-Y695 HydrophobicContact CB-CE2 3.67Å; P669-Y695 HydrophobicContact CB-CG 4.47Å; P669-Y695 HydrophobicContact CG-CD1 4.48Å; P669-Y695 HydrophobicContact CG-CE1 4.21Å
670	W	98	Very high	96.1	Very high	7 Å²	7	30.8 Å²	30.8	3%	0.027	16%	0.155	C	C	.	.	H	α-helix	trans	-74.8	-41.8	177.6	-173.5	-115.2	0	0	0	112.8	I664 S667 M668 L672 T673 D674 L677 C722 Q725 F726	I664-W670 HydrophobicContact CB-CB 4.48Å; I664-W670 HydrophobicContact CB-CG 4.16Å; I664-W670 HydrophobicContact CD1-CG 4.46Å; I664-W670 HydrophobicContact CG1-CG 4.39Å; S667-W670 PolarHBondContact O-N 2.98Å; S667-W670 VanDerWaalsContact O-N 3.15Å; M668-W670 VanDerWaalsContact C-N 3.3Å; M668-W670 PolarHBondContact O-N 2.76Å; W670-L672 PolarHBondContact O-N 3.04Å; W670-T673 HydrophobicContact CE3-CG2 4.19Å; W670-T673 HydrophobicContact CZ3-CG2 3.96Å; W670-T673 PolarHBondContact O-N 3.27Å; W670-D674 HydrophobicContact CD2-CB 4.07Å; W670-D674 HydrophobicContact CH2-CB 4.33Å; W670-D674 HydrophobicContact CZ2-CB 3.8Å; W670-D674 WeakPolarHBondContact CZ2-OD1 3.36Å; W670-D674 VanDerWaalsContact O-CB 3.3Å; W670-D674 WeakPolarHBondContact O-CB 3.46Å; W670-D674 PolarHBondContact O-N 3.47Å; W670-L677 HydrophobicContact CH2-CD1 4.16Å; W670-C722 HydrophobicContact CD2-CB 4.03Å; W670-C722 HydrophobicContact CE3-CB 3.47Å; W670-C722 VanDerWaalsContact CE3-CB 3.47Å; W670-C722 HydrophobicContact CH2-CB 4.47Å; W670-C722 WeakPolarHBondContact CH2-O 3.41Å; W670-C722 HydrophobicContact CZ3-CB 3.73Å; W670-C722 VanDerWaalsContact CZ3-O 3.26Å; W670-C722 WeakPolarHBondContact CZ3-O 3.38Å; W670-Q725 HydrophobicContact CH2-CB 3.71Å; W670-Q725 HydrophobicContact CZ2-CB 3.87Å; W670-F726 HydrophobicContact CZ3-CB 4.44Å
671	I	97.6	Very high	96	Very high	16 Å²	16	27.5 Å²	27.5	8%	0.082	14%	0.136	C	C	.	.	H	α-helix	trans	-53.2	-42.2	175	-71.2	162.9	0	0	0	111	R439 K447 E665 S667 M668 H675	R439-I671 HydrophobicContact CB-CD1 4.26Å; K447-I671 HydrophobicContact CD-CG2 3.81Å; E665-I671 WeakPolarHBondContact O-CD1 3.45Å; E665-I671 WeakPolarHBondContact O-CG1 3.5Å; S667-I671 VanDerWaalsContact O-CG1 3.31Å; S667-I671 WeakPolarHBondContact O-CG1 3.47Å; S667-I671 PolarHBondContact O-N 3.49Å; M668-I671 PolarHBondContact O-N 2.66Å; M668-I671 HydrophobicContact SD-CD1 4.24Å; I671-H675 VanDerWaalsContact O-CB 3.24Å; I671-H675 WeakPolarHBondContact O-CB 3.38Å; I671-H675 PolarHBondContact O-N 2.64Å
672	L	97.1	Very high	95.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-73.9	-42.8	179	-66.6	176.7	0	0	0	112.4	K447 F450 V451 I454 M668 W670 P691 L694	K447-L672 HydrophobicContact CB-CD2 4.1Å; K447-L672 HydrophobicContact CG-CD2 4.08Å; F450-L672 HydrophobicContact CB-CD1 4.41Å; F450-L672 HydrophobicContact CB-CD2 3.84Å; F450-L672 HydrophobicContact CD1-CD1 4.49Å; V451-L672 HydrophobicContact CG2-CB 3.84Å; V451-L672 HydrophobicContact CG2-CD2 4.12Å; V451-L672 HydrophobicContact CG2-CG 4.4Å; I454-L672 HydrophobicContact CD1-CD1 3.65Å; M668-L672 VanDerWaalsContact O-CG 3.31Å; M668-L672 WeakPolarHBondContact O-CG 3.4Å; M668-L672 PolarHBondContact O-N 3.41Å; M668-L672 VanDerWaalsContact O-N 3.08Å; W670-L672 PolarHBondContact O-N 3.04Å; L672-P691 HydrophobicContact CB-CB 3.98Å; L672-P691 HydrophobicContact CB-CG 4.33Å; L672-L694 HydrophobicContact CD1-CD1 4.4Å
673	T	96.6	Very high	95.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.3	-52.3	179	-55.5	0	0	0	0	111.8	P669 W670 H675 I676 L677 V688 L692 F726	P669-T673 WeakPolarHBondContact O-CB 3.42Å; P669-T673 PolarHBondContact O-N 3.06Å; P669-T673 PolarHBondContact O-OG1 3.25Å; W670-T673 HydrophobicContact CE3-CG2 4.19Å; W670-T673 HydrophobicContact CZ3-CG2 3.96Å; W670-T673 PolarHBondContact O-N 3.27Å; T673-H675 VanDerWaalsContact C-N 3.31Å; T673-H675 PolarHBondContact O-N 3.34Å; T673-I676 PolarHBondContact O-N 2.86Å; T673-L677 HydrophobicContact CG2-CD1 4.36Å; T673-L677 PolarHBondContact O-N 3.43Å; T673-V688 HydrophobicContact CG2-CG2 4.02Å; T673-L692 HydrophobicContact CG2-CD1 4.28Å; T673-L692 HydrophobicContact CG2-CD2 3.89Å; T673-L692 HydrophobicContact CG2-CG 3.81Å; T673-F726 HydrophobicContact CG2-CD2 3.95Å; T673-F726 HydrophobicContact CG2-CE2 4.49Å
674	D	97.4	Very high	95.3	Very high	35 Å²	35	29.3 Å²	29.3	19%	0.187	15%	0.152	C	C	.	.	H	α-helix	trans	-68	-32.4	-173.4	-164	47.3	0	0	0	112.3	W670 I676 L677 E678 K729	W670-D674 HydrophobicContact CD2-CB 4.07Å; W670-D674 HydrophobicContact CH2-CB 4.33Å; W670-D674 HydrophobicContact CZ2-CB 3.8Å; W670-D674 WeakPolarHBondContact CZ2-OD1 3.36Å; W670-D674 VanDerWaalsContact O-CB 3.3Å; W670-D674 WeakPolarHBondContact O-CB 3.46Å; W670-D674 PolarHBondContact O-N 3.47Å; D674-I676 VanDerWaalsContact C-N 3.26Å; D674-I676 PolarHBondContact O-N 3.08Å; D674-L677 PolarHBondContact O-N 2.84Å; D674-L677 VanDerWaalsContact O-N 3.17Å; D674-E678 WeakPolarHBondContact O-CB 3.22Å; D674-E678 PolarHBondContact O-N 3.33Å; D674-K729 VanDerWaalsContact CG-NZ 3.3Å; D674-K729 WeakPolarHBondContact OD1-CD 3.33Å; D674-K729 VanDerWaalsContact OD1-CE 3.3Å; D674-K729 WeakPolarHBondContact OD1-CE 3.4Å; D674-K729 IonicContact OD1-NZ 3.84Å; D674-K729 PolarHBondContact OD1-NZ 3.16Å; D674-K729 IonicContact OD2-NZ 3.33Å; D674-K729 PolarHBondContact OD2-NZ 3.11Å; D674-K729 VanDerWaalsContact OD2-NZ 3.16Å
675	H	97.2	Very high	95.1	Very high	27 Å²	27	28.2 Å²	28.2	13%	0.125	15%	0.147	C	C	.	.	H	α-helix	trans	-59.3	-37.3	175.7	-175.1	74.5	0	0	0	112	S444 K447 F448 I671 T673 T679	S444-H675 PolarHBondContact OG-CE1 2.93Å; S444-H675 VanDerWaalsContact OG-CE1 3.28Å; S444-H675 PolarHBondContact OG-NE2 3.23Å; K447-H675 HydrophobicContact CD-CB 4.17Å; K447-H675 PolarHBondContact NZ-CE1 3.4Å; K447-H675 PolarHBondContact NZ-ND1 2.71Å; F448-H675 AromaticContact CD1-CD2 3.73Å; F448-H675 AromaticContact CE1-CD2 3.33Å; F448-H675 WeakPolarHBondContact CE1-CD2 3.23Å; F448-H675 AromaticContact CE1-NE2 3.51Å; F448-H675 AromaticContact CE2-NE2 3.76Å; F448-H675 AromaticContact CZ-CD2 3.72Å; F448-H675 AromaticContact CZ-NE2 3.37Å; F448-H675 WeakPolarHBondContact CZ-NE2 3.4Å; I671-H675 VanDerWaalsContact O-CB 3.24Å; I671-H675 WeakPolarHBondContact O-CB 3.38Å; I671-H675 PolarHBondContact O-N 2.64Å; T673-H675 VanDerWaalsContact C-N 3.31Å; T673-H675 PolarHBondContact O-N 3.34Å; H675-T679 WeakPolarHBondContact O-CB 3.43Å; H675-T679 VanDerWaalsContact O-CG2 3.27Å; H675-T679 WeakPolarHBondContact O-CG2 3.48Å; H675-T679 PolarHBondContact O-N 2.8Å; H675-T679 VanDerWaalsContact O-N 3.08Å; H675-T679 PolarHBondContact O-OG1 3.17Å
676	I	96.2	Very high	95	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-71.3	-43	174.8	-62.8	171.1	0	0	0	111.1	F448 V451 T673 D674 E678 T679 K680 M684 M685 V688	F448-I676 HydrophobicContact CD1-CG1 4.33Å; F448-I676 HydrophobicContact CE1-CG1 4.14Å; V451-I676 HydrophobicContact CB-CD1 4.21Å; V451-I676 HydrophobicContact CG1-CD1 3.74Å; V451-I676 HydrophobicContact CG2-CD1 3.97Å; T673-I676 PolarHBondContact O-N 2.86Å; D674-I676 VanDerWaalsContact C-N 3.26Å; D674-I676 PolarHBondContact O-N 3.08Å; I676-E678 VanDerWaalsContact C-N 3.31Å; I676-E678 PolarHBondContact O-N 3.32Å; I676-T679 PolarHBondContact O-OG1 3.06Å; I676-K680 WeakPolarHBondContact O-CA 3.3Å; I676-K680 PolarHBondContact O-N 2.69Å; I676-M684 HydrophobicContact CD1-CB 4.03Å; I676-M684 HydrophobicContact CG1-CB 3.95Å; I676-M684 HydrophobicContact CG2-CB 4.09Å; I676-M685 HydrophobicContact CG2-CE 4.16Å; I676-V688 HydrophobicContact CB-CB 4.44Å; I676-V688 HydrophobicContact CB-CG2 3.97Å; I676-V688 HydrophobicContact CD1-CB 4.3Å; I676-V688 HydrophobicContact CD1-CG2 4.34Å; I676-V688 HydrophobicContact CG2-CB 4.02Å; I676-V688 HydrophobicContact CG2-CG2 3.98Å
677	L	95.6	Very high	94.7	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-64	-36.2	178.9	-64.4	174.2	0	0	0	112.8	W670 T673 D674 K680 V688 F726 K729 L730 Q733	W670-L677 HydrophobicContact CH2-CD1 4.16Å; T673-L677 HydrophobicContact CG2-CD1 4.36Å; T673-L677 PolarHBondContact O-N 3.43Å; D674-L677 PolarHBondContact O-N 2.84Å; D674-L677 VanDerWaalsContact O-N 3.17Å; L677-K680 WeakPolarHBondContact O-CG 3.45Å; L677-V688 HydrophobicContact CD2-CG2 4.3Å; L677-V688 HydrophobicContact CG-CG2 4.37Å; L677-F726 HydrophobicContact CD1-CB 4.27Å; L677-F726 HydrophobicContact CD1-CD2 3.88Å; L677-F726 HydrophobicContact CD1-CG 4.44Å; L677-F726 HydrophobicContact CD2-CD2 4.07Å; L677-F726 HydrophobicContact CD2-CE2 4.21Å; L677-F726 HydrophobicContact CG-CD2 4.4Å; L677-K729 HydrophobicContact CB-CB 4.2Å; L677-K729 HydrophobicContact CB-CD 4.01Å; L677-K729 HydrophobicContact CD1-CB 4.2Å; L677-K729 HydrophobicContact CD1-CD 4.28Å; L677-L730 HydrophobicContact CD2-CB 4.3Å; L677-Q733 PolarHBondContact O-NE2 3.17Å; L677-Q733 VanDerWaalsContact O-NE2 3.15Å
678	E	95.2	Very high	94.5	Very high	102 Å²	102	28 Å²	28	48%	0.477	14%	0.144	S	C	.	.	H	α-helix	trans	-80.2	-45.8	-177.2	-162.9	57.5	-117.3	0	0	111.8	D674 I676 K680 K729	D674-E678 WeakPolarHBondContact O-CB 3.22Å; D674-E678 PolarHBondContact O-N 3.33Å; I676-E678 VanDerWaalsContact C-N 3.31Å; I676-E678 PolarHBondContact O-N 3.32Å; E678-K680 VanDerWaalsContact C-N 3.31Å; E678-K680 PolarHBondContact O-N 3.23Å; E678-K680 PolarHBondContact O-NZ 3.4Å; E678-K680 IonicContact OE1-NZ 3.63Å; E678-K729 IonicContact OE2-NZ 2.89Å; E678-K729 PolarHBondContact OE2-NZ 2.76Å
679	T	94.4	Very high	94.4	Very high	63 Å²	63	28.9 Å²	28.9	39%	0.387	15%	0.148	S	C	.	.	H	α-helix	trans	-69.8	-28.4	175.2	57	0	0	0	0	112.9	F448 H675 I676 E681	F448-T679 HydrophobicContact CZ-CG2 4.07Å; H675-T679 WeakPolarHBondContact O-CB 3.43Å; H675-T679 VanDerWaalsContact O-CG2 3.27Å; H675-T679 WeakPolarHBondContact O-CG2 3.48Å; H675-T679 PolarHBondContact O-N 2.8Å; H675-T679 VanDerWaalsContact O-N 3.08Å; H675-T679 PolarHBondContact O-OG1 3.17Å; I676-T679 PolarHBondContact O-OG1 3.06Å; T679-E681 PolarHBondContact O-N 2.67Å
680	K	94.5	Very high	94.2	Very high	82 Å²	82	29.8 Å²	29.8	36%	0.357	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	28.8	-177.9	-49.5	168.6	-174.3	65.1	0	111.9	I676 L677 E678 P682 Q733 N768	I676-K680 WeakPolarHBondContact O-CA 3.3Å; I676-K680 PolarHBondContact O-N 2.69Å; L677-K680 WeakPolarHBondContact O-CG 3.45Å; E678-K680 VanDerWaalsContact C-N 3.31Å; E678-K680 PolarHBondContact O-N 3.23Å; E678-K680 PolarHBondContact O-NZ 3.4Å; E678-K680 IonicContact OE1-NZ 3.63Å; K680-P682 VanDerWaalsContact O-CD 3.3Å; K680-P682 WeakPolarHBondContact O-CD 3.41Å; K680-Q733 HydrophobicContact CD-CB 4.2Å; K680-N768 PolarHBondContact O-ND2 2.94Å
681	E	90.2	Very high	93.9	Very high	64 Å²	64	29.5 Å²	29.5	30%	0.299	15%	0.151	S	C	.	.			trans	-62.7	114.7	-169.9	175.3	44.2	-127.3	0	0	112.2	F448 T679 S683 M684 M685	F448-E681 HydrophobicContact CE1-CB 4.01Å; F448-E681 HydrophobicContact CE1-CG 4.24Å; F448-E681 HydrophobicContact CE2-CB 4.5Å; F448-E681 HydrophobicContact CE2-CG 4.23Å; F448-E681 HydrophobicContact CZ-CB 3.71Å; F448-E681 HydrophobicContact CZ-CG 3.88Å; T679-E681 PolarHBondContact O-N 2.67Å; E681-S683 VanDerWaalsContact C-N 3.3Å; E681-S683 WeakPolarHBondContact CG-OG 3.34Å; E681-S683 PolarHBondContact O-N 2.82Å; E681-S683 WeakPolarHBondContact OE1-CB 3.19Å; E681-S683 PolarHBondContact OE1-N 3.07Å; E681-S683 PolarHBondContact OE1-OG 3.01Å; E681-M684 HydrophobicContact CB-CB 4.14Å; E681-M684 HydrophobicContact CB-CG 4.42Å; E681-M684 HydrophobicContact CG-CB 3.96Å; E681-M684 HydrophobicContact CG-CG 3.77Å; E681-M684 PolarHBondContact O-N 3.5Å; E681-M685 PolarHBondContact O-N 3.15Å; E681-M685 VanDerWaalsContact O-N 3.09Å
682	P	90.9	Very high	93.7	Very high	37 Å²	37	29 Å²	29	24%	0.24	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-36	-175.6	-31	38.3	0	0	0	115.5	K680 M684 S767 N768	K680-P682 VanDerWaalsContact O-CD 3.3Å; K680-P682 WeakPolarHBondContact O-CD 3.41Å; P682-M684 VanDerWaalsContact C-N 3.28Å; P682-M684 PolarHBondContact O-N 2.79Å; P682-S767 VanDerWaalsContact CB-O 3.3Å; P682-S767 WeakPolarHBondContact CB-O 3.38Å; P682-S767 VanDerWaalsContact CG-O 3.22Å; P682-S767 WeakPolarHBondContact CG-O 3.45Å; P682-N768 HydrophobicContact CG-CB 4.48Å
683	S	90.3	Very high	93.4	Very high	67 Å²	67	30.5 Å²	30.5	47%	0.469	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-23.9	178.6	60.1	0	0	0	0	112.9	E681 Y687	E681-S683 VanDerWaalsContact C-N 3.3Å; E681-S683 WeakPolarHBondContact CG-OG 3.34Å; E681-S683 PolarHBondContact O-N 2.82Å; E681-S683 WeakPolarHBondContact OE1-CB 3.19Å; E681-S683 PolarHBondContact OE1-N 3.07Å; E681-S683 PolarHBondContact OE1-OG 3.01Å; S683-Y687 WeakPolarHBondContact O-CD2 3.35Å; S683-Y687 WeakPolarHBondContact O-CE2 3.46Å
684	M	92.6	Very high	93.4	Very high	13 Å²	13	30.5 Å²	30.5	6%	0.064	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-13.6	-173.4	-65.5	-72.5	149.5	0	0	113.3	F448 E452 I676 E681 P682 E686 Y687 V688	F448-M684 HydrophobicContact CB-CE 4.01Å; F448-M684 HydrophobicContact CB-CG 4.22Å; F448-M684 HydrophobicContact CB-SD 3.94Å; F448-M684 HydrophobicContact CD1-CB 4.14Å; F448-M684 HydrophobicContact CD1-CG 3.52Å; F448-M684 HydrophobicContact CD1-SD 4.12Å; F448-M684 HydrophobicContact CE1-CB 4.22Å; F448-M684 HydrophobicContact CE1-CG 3.95Å; F448-M684 HydrophobicContact CG-CG 3.94Å; F448-M684 HydrophobicContact CG-SD 4.31Å; E452-M684 HydrophobicContact CB-CE 4.48Å; I676-M684 HydrophobicContact CD1-CB 4.03Å; I676-M684 HydrophobicContact CG1-CB 3.95Å; I676-M684 HydrophobicContact CG2-CB 4.09Å; E681-M684 HydrophobicContact CB-CB 4.14Å; E681-M684 HydrophobicContact CB-CG 4.42Å; E681-M684 HydrophobicContact CG-CB 3.96Å; E681-M684 HydrophobicContact CG-CG 3.77Å; E681-M684 PolarHBondContact O-N 3.5Å; P682-M684 VanDerWaalsContact C-N 3.28Å; P682-M684 PolarHBondContact O-N 2.79Å; M684-E686 VanDerWaalsContact C-N 3.33Å; M684-E686 PolarHBondContact O-N 3.37Å; M684-Y687 WeakPolarHBondContact O-CB 3.29Å; M684-Y687 PolarHBondContact O-N 3.04Å; M684-Y687 HydrophobicContact SD-CD2 4.33Å; M684-V688 PolarHBondContact O-N 3.29Å
685	M	92.4	Very high	93.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-61.9	-34.5	-175.6	-165.8	57.1	56.6	0	0	113.8	I676 E681 Y687 V688 L730 Q733 R769 Y770 L773	I676-M685 HydrophobicContact CG2-CE 4.16Å; E681-M685 PolarHBondContact O-N 3.15Å; E681-M685 VanDerWaalsContact O-N 3.09Å; M685-Y687 PolarHBondContact O-N 2.99Å; M685-V688 WeakPolarHBondContact O-CG1 3.49Å; M685-L730 HydrophobicContact SD-CD1 4.2Å; M685-Q733 VanDerWaalsContact CE-OE1 3.28Å; M685-R769 HydrophobicContact CB-CB 4.49Å; M685-Y770 HydrophobicContact CE-CD1 4.47Å; M685-Y770 HydrophobicContact CE-CE1 3.72Å; M685-Y770 HydrophobicContact CG-CD1 3.65Å; M685-Y770 HydrophobicContact CG-CE1 3.84Å; M685-Y770 HydrophobicContact SD-CD1 3.82Å; M685-Y770 HydrophobicContact SD-CE1 3.62Å; M685-L773 HydrophobicContact CG-CD1 3.87Å; M685-L773 HydrophobicContact SD-CD1 3.68Å
686	E	91	Very high	93.1	Very high	17 Å²	17	29 Å²	29	8%	0.079	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-70.5	-18.8	175.6	-56.1	-161.5	168.8	0	0	112.8	M684 R769 T772	M684-E686 VanDerWaalsContact C-N 3.33Å; M684-E686 PolarHBondContact O-N 3.37Å; E686-R769 HydrophobicContact CG-CB 3.69Å; E686-R769 HydrophobicContact CG-CG 4.47Å; E686-R769 IonicContact OE1-CZ 3.5Å; E686-R769 IonicContact OE1-NE 2.79Å; E686-R769 PolarHBondContact OE1-NE 3.23Å; E686-R769 IonicContact OE1-NH2 3.37Å; E686-R769 PolarHBondContact OE1-NH2 3.48Å; E686-T772 HydrophobicContact CG-CG2 4.1Å
687	Y	91.8	Very high	92.9	Very high	58 Å²	58	30.5 Å²	30.5	23%	0.227	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-95.6	-10.2	-174.8	-61.9	-73.1	0	0	0	114.4	A455 S683 M684 M685 L689 Y690 P691	A455-Y687 HydrophobicContact CB-CD1 3.28Å; A455-Y687 HydrophobicContact CB-CE1 3.79Å; A455-Y687 HydrophobicContact CB-CG 4.22Å; S683-Y687 WeakPolarHBondContact O-CD2 3.35Å; S683-Y687 WeakPolarHBondContact O-CE2 3.46Å; M684-Y687 WeakPolarHBondContact O-CB 3.29Å; M684-Y687 PolarHBondContact O-N 3.04Å; M684-Y687 HydrophobicContact SD-CD2 4.33Å; M685-Y687 PolarHBondContact O-N 2.99Å; Y687-L689 PolarHBondContact O-N 3.11Å; Y687-Y690 HydrophobicContact CD1-CD2 4.08Å; Y687-Y690 AromaticContact CD1-CE2 4Å; Y687-Y690 HydrophobicContact CD1-CE2 4Å; Y687-Y690 WeakPolarHBondContact O-CD2 3.47Å; Y687-Y690 PolarHBondContact O-N 3.23Å; Y687-P691 WeakPolarHBondContact O-CD 3.39Å
688	V	93.3	Very high	92.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-17.3	-170.3	74.4	0	0	0	0	115	T673 I676 L677 M684 M685 F726 L773	T673-V688 HydrophobicContact CG2-CG2 4.02Å; I676-V688 HydrophobicContact CB-CB 4.44Å; I676-V688 HydrophobicContact CB-CG2 3.97Å; I676-V688 HydrophobicContact CD1-CB 4.3Å; I676-V688 HydrophobicContact CD1-CG2 4.34Å; I676-V688 HydrophobicContact CG2-CB 4.02Å; I676-V688 HydrophobicContact CG2-CG2 3.98Å; L677-V688 HydrophobicContact CD2-CG2 4.3Å; L677-V688 HydrophobicContact CG-CG2 4.37Å; M684-V688 PolarHBondContact O-N 3.29Å; M685-V688 WeakPolarHBondContact O-CG1 3.49Å; V688-F726 HydrophobicContact CG1-CE2 3.83Å; V688-F726 HydrophobicContact CG1-CZ 4.18Å; V688-F726 HydrophobicContact CG2-CE2 3.93Å; V688-L773 HydrophobicContact CG1-CD1 3.76Å; V688-L773 HydrophobicContact CG1-CD2 3.78Å; V688-L773 HydrophobicContact CG1-CG 4.42Å
689	L	92.9	Very high	92.9	Very high	17 Å²	17	25.8 Å²	25.8	9%	0.089	14%	0.136	C	C	.	.	H	α-helix	trans	-81.8	-25.3	176.4	-62.9	175.5	0	0	0	113.6	I29 Y687 L692 D693 F726 L773 Q776 L788	I29-L689 HydrophobicContact CG2-CD1 3.99Å; Y687-L689 PolarHBondContact O-N 3.11Å; L689-L692 HydrophobicContact CD2-CD1 4.27Å; L689-L692 PolarHBondContact O-N 3.14Å; L689-D693 PolarHBondContact O-N 3.46Å; L689-F726 HydrophobicContact CD2-CE1 4.3Å; L689-F726 HydrophobicContact CD2-CE2 4.32Å; L689-F726 HydrophobicContact CD2-CZ 3.65Å; L689-L773 HydrophobicContact CD1-CD2 3.69Å; L689-L773 HydrophobicContact CD2-CD2 4.38Å; L689-L773 HydrophobicContact CG-CD2 3.76Å; L689-Q776 HydrophobicContact CD1-CG 3.78Å; L689-L788 HydrophobicContact CD2-CD2 4.45Å
690	Y	92.3	Very high	92.7	Very high	20 Å²	20	27 Å²	27	8%	0.078	13%	0.134	C	C	.	.	H	α-helix	trans	-69.5	-35.5	-179.8	-59.3	-77.2	0	0	0	113.3	C28 A455 K458 Y687 D693	C28-Y690 PolarHBondContact O-OH 3.36Å; A455-Y690 HydrophobicContact CB-CD1 4.42Å; A455-Y690 HydrophobicContact CB-CD2 3.32Å; A455-Y690 HydrophobicContact CB-CE2 3.8Å; A455-Y690 HydrophobicContact CB-CG 3.69Å; K458-Y690 HydrophobicContact CB-CD1 3.74Å; K458-Y690 HydrophobicContact CB-CE1 4.24Å; K458-Y690 HydrophobicContact CD-CD1 4.33Å; Y687-Y690 HydrophobicContact CD1-CD2 4.08Å; Y687-Y690 AromaticContact CD1-CE2 4Å; Y687-Y690 HydrophobicContact CD1-CE2 4Å; Y687-Y690 WeakPolarHBondContact O-CD2 3.47Å; Y687-Y690 PolarHBondContact O-N 3.23Å; Y690-D693 WeakPolarHBondContact O-CB 3.43Å; Y690-D693 PolarHBondContact O-N 2.87Å
691	P	93.3	Very high	92.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.2	-34.1	168.9	-26.9	38.1	0	0	0	114	V451 L672 Y687 D693 L694	V451-P691 HydrophobicContact CB-CG 4.07Å; V451-P691 HydrophobicContact CG1-CG 3.51Å; V451-P691 HydrophobicContact CG2-CG 3.55Å; L672-P691 HydrophobicContact CB-CB 3.98Å; L672-P691 HydrophobicContact CB-CG 4.33Å; Y687-P691 WeakPolarHBondContact O-CD 3.39Å; P691-D693 VanDerWaalsContact C-N 3.29Å; P691-D693 PolarHBondContact O-N 2.89Å; P691-L694 VanDerWaalsContact O-CB 3.27Å; P691-L694 WeakPolarHBondContact O-CB 3.39Å; P691-L694 WeakPolarHBondContact O-CG 3.21Å; P691-L694 PolarHBondContact O-N 3.01Å
692	L	91.9	Very high	92.8	Very high	6 Å²	6	21.9 Å²	21.9	3%	0.031	11%	0.11	C	C	.	.	H	α-helix	trans	-66.2	-33.2	172	-76.1	178	0	0	0	111.9	T673 L689 L694 Y695 F723 F726	T673-L692 HydrophobicContact CG2-CD1 4.28Å; T673-L692 HydrophobicContact CG2-CD2 3.89Å; T673-L692 HydrophobicContact CG2-CG 3.81Å; L689-L692 HydrophobicContact CD2-CD1 4.27Å; L689-L692 PolarHBondContact O-N 3.14Å; L692-L694 PolarHBondContact O-N 3.4Å; L692-Y695 HydrophobicContact CD2-CD2 4.2Å; L692-Y695 HydrophobicContact CD2-CE2 4.02Å; L692-Y695 WeakPolarHBondContact O-CB 3.36Å; L692-Y695 WeakPolarHBondContact O-CD2 3.47Å; L692-Y695 PolarHBondContact O-N 2.91Å; L692-Y695 VanDerWaalsContact O-N 3.11Å; L692-F723 HydrophobicContact CD1-CD2 4.49Å; L692-F726 HydrophobicContact CD1-CD1 4.37Å; L692-F726 HydrophobicContact CD1-CD2 3.65Å; L692-F726 HydrophobicContact CD1-CE1 4.43Å; L692-F726 HydrophobicContact CD1-CE2 3.75Å; L692-F726 HydrophobicContact CD1-CG 4.01Å; L692-F726 HydrophobicContact CD1-CZ 4.15Å
693	D	92.1	Very high	92.9	Very high	31 Å²	31	24.4 Å²	24.4	17%	0.166	12%	0.121	C	C	.	.	H	α-helix	trans	-66.1	-15.7	176.2	-166	57.2	0	0	0	113.3	K458 L689 Y690 P691 Y695 N696 D697	K458-D693 HydrophobicContact CD-CB 4.02Å; K458-D693 VanDerWaalsContact CD-OD2 3.29Å; K458-D693 WeakPolarHBondContact CD-OD2 3.28Å; K458-D693 VanDerWaalsContact CE-OD2 3.27Å; K458-D693 WeakPolarHBondContact CE-OD2 3.47Å; K458-D693 IonicContact NZ-OD2 2.89Å; K458-D693 PolarHBondContact NZ-OD2 3.2Å; L689-D693 PolarHBondContact O-N 3.46Å; Y690-D693 WeakPolarHBondContact O-CB 3.43Å; Y690-D693 PolarHBondContact O-N 2.87Å; P691-D693 VanDerWaalsContact C-N 3.29Å; P691-D693 PolarHBondContact O-N 2.89Å; D693-Y695 PolarHBondContact O-N 3.24Å; D693-N696 WeakPolarHBondContact O-CB 3.49Å; D693-N696 PolarHBondContact O-N 3.31Å; D693-N696 PolarHBondContact OD1-ND2 3.15Å; D693-D697 PolarHBondContact O-N 2.99Å
694	L	94.8	Very high	92.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.3	-25.7	170.2	-61.6	175.6	0	0	0	112.8	I454 L642 L645 P669 L672 P691 L692 N696 D697 S698	I454-L694 HydrophobicContact CD1-CD1 4.17Å; I454-L694 HydrophobicContact CG2-CD2 4.01Å; I454-L694 HydrophobicContact CG2-CG 4.44Å; L642-L694 HydrophobicContact CB-CD2 3.62Å; L642-L694 HydrophobicContact CD1-CD2 3.91Å; L642-L694 HydrophobicContact CG-CD2 4.44Å; L645-L694 HydrophobicContact CD1-CD1 3.78Å; L645-L694 HydrophobicContact CD1-CD2 4.08Å; P669-L694 HydrophobicContact CB-CB 4.18Å; P669-L694 HydrophobicContact CB-CD1 4.28Å; P669-L694 HydrophobicContact CG-CB 4Å; P669-L694 HydrophobicContact CG-CD1 4.21Å; L672-L694 HydrophobicContact CD1-CD1 4.4Å; P691-L694 VanDerWaalsContact O-CB 3.27Å; P691-L694 WeakPolarHBondContact O-CB 3.39Å; P691-L694 WeakPolarHBondContact O-CG 3.21Å; P691-L694 PolarHBondContact O-N 3.01Å; L692-L694 PolarHBondContact O-N 3.4Å; L694-N696 VanDerWaalsContact C-N 3.31Å; L694-D697 PolarHBondContact O-N 2.88Å; L694-S698 WeakPolarHBondContact O-CB 3.36Å; L694-S698 PolarHBondContact O-N 2.76Å; L694-S698 PolarHBondContact O-OG 3.31Å
695	Y	95.9	Very high	92.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-68.6	-30.5	172.9	-69.7	-66.9	0	0	0	112.1	W646 P669 L692 D693 A699 I715 E718 V719	W646-Y695 AromaticContact CD1-CE1 3.61Å; W646-Y695 AromaticContact NE1-CE1 3.88Å; P669-Y695 HydrophobicContact CB-CD1 4.4Å; P669-Y695 HydrophobicContact CB-CD2 4.12Å; P669-Y695 HydrophobicContact CB-CE1 4Å; P669-Y695 HydrophobicContact CB-CE2 3.67Å; P669-Y695 HydrophobicContact CB-CG 4.47Å; P669-Y695 HydrophobicContact CG-CD1 4.48Å; P669-Y695 HydrophobicContact CG-CE1 4.21Å; L692-Y695 HydrophobicContact CD2-CD2 4.2Å; L692-Y695 HydrophobicContact CD2-CE2 4.02Å; L692-Y695 WeakPolarHBondContact O-CB 3.36Å; L692-Y695 WeakPolarHBondContact O-CD2 3.47Å; L692-Y695 PolarHBondContact O-N 2.91Å; L692-Y695 VanDerWaalsContact O-N 3.11Å; D693-Y695 PolarHBondContact O-N 3.24Å; Y695-A699 WeakPolarHBondContact O-CB 3.49Å; Y695-A699 PolarHBondContact O-N 3.13Å; Y695-I715 HydrophobicContact CD1-CG2 4.14Å; Y695-E718 HydrophobicContact CE1-CG 4.15Å; Y695-E718 VanDerWaalsContact CE1-OE1 3.23Å; Y695-E718 WeakPolarHBondContact CE1-OE1 3.4Å; Y695-E718 PolarHBondContact OH-OE1 3.15Å; Y695-V719 HydrophobicContact CD1-CG2 3.56Å; Y695-V719 HydrophobicContact CD2-CG2 3.61Å; Y695-V719 HydrophobicContact CE1-CG2 4.08Å; Y695-V719 HydrophobicContact CE2-CG2 4.13Å; Y695-V719 HydrophobicContact CG-CG2 3.28Å
696	N	93.7	Very high	92.8	Very high	32 Å²	32	27.9 Å²	27.9	17%	0.171	13%	0.132	C	C	.	.	H	α-helix	trans	-66.9	-45.9	172.7	-72.4	-37	0	0	0	110.9	D693 L694 S698 A699 Y700 Q780 L781 L782	D693-N696 WeakPolarHBondContact O-CB 3.49Å; D693-N696 PolarHBondContact O-N 3.31Å; D693-N696 PolarHBondContact OD1-ND2 3.15Å; L694-N696 VanDerWaalsContact C-N 3.31Å; N696-S698 VanDerWaalsContact C-N 3.32Å; N696-S698 PolarHBondContact O-N 3.22Å; N696-A699 PolarHBondContact O-N 3.12Å; N696-Y700 VanDerWaalsContact O-CB 3.28Å; N696-Y700 WeakPolarHBondContact O-CB 3.29Å; N696-Y700 PolarHBondContact O-N 3.09Å; N696-Q780 PolarHBondContact ND2-O 3.34Å; N696-L781 WeakPolarHBondContact OD1-CA 3.46Å; N696-L782 PolarHBondContact OD1-N 3.43Å
697	D	92.6	Very high	92.9	Very high	30 Å²	30	33.1 Å²	33.1	16%	0.16	16%	0.155	C	C	.	.	H	α-helix	trans	-57.4	-47.9	176.1	-54.9	-24.9	0	0	0	110.6	K458 S643 D693 L694 Y701	K458-D697 WeakPolarHBondContact CE-OD2 3.33Å; K458-D697 IonicContact NZ-OD1 3.96Å; K458-D697 PolarHBondContact NZ-OD1 3.32Å; K458-D697 IonicContact NZ-OD2 2.77Å; K458-D697 PolarHBondContact NZ-OD2 3.46Å; S643-D697 WeakPolarHBondContact CB-O 3.43Å; D693-D697 PolarHBondContact O-N 2.99Å; L694-D697 PolarHBondContact O-N 2.88Å; D697-Y701 WeakPolarHBondContact O-CB 3.49Å; D697-Y701 PolarHBondContact O-N 3.01Å
698	S	95.2	Very high	93	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.4	-46.4	179.9	-53.4	0	0	0	0	111.8	S643 W646 F647 L694 N696 Y701 A702	S643-S698 PolarHBondContact O-OG 3.36Å; W646-S698 WeakPolarHBondContact CB-OG 3.42Å; F647-S698 VanDerWaalsContact CZ-O 3.29Å; F647-S698 WeakPolarHBondContact CZ-O 3.38Å; L694-S698 WeakPolarHBondContact O-CB 3.36Å; L694-S698 PolarHBondContact O-N 2.76Å; L694-S698 PolarHBondContact O-OG 3.31Å; N696-S698 VanDerWaalsContact C-N 3.32Å; N696-S698 PolarHBondContact O-N 3.22Å; S698-Y701 PolarHBondContact O-N 3.32Å; S698-A702 WeakPolarHBondContact O-CB 3.25Å; S698-A702 PolarHBondContact O-N 3.2Å
699	A	94	Very high	93.1	Very high	5 Å²	5	41 Å²	41	4%	0.041	19%	0.192	C	C	.	.	H	α-helix	trans	-65.9	-42.9	179.3	0	0	0	0	0	112.2	Y695 N696 Y701 A702 L703 Y712 I715 L782	Y695-A699 WeakPolarHBondContact O-CB 3.49Å; Y695-A699 PolarHBondContact O-N 3.13Å; N696-A699 PolarHBondContact O-N 3.12Å; A699-Y701 VanDerWaalsContact C-N 3.32Å; A699-Y701 PolarHBondContact O-N 3.48Å; A699-A702 PolarHBondContact O-N 3.05Å; A699-L703 WeakPolarHBondContact O-CG 3.11Å; A699-L703 PolarHBondContact O-N 3.08Å; A699-Y712 HydrophobicContact CB-CD2 3.91Å; A699-Y712 HydrophobicContact CB-CE2 3.99Å; A699-I715 HydrophobicContact CB-CG2 4.11Å; A699-L782 HydrophobicContact CB-CD2 3.44Å; A699-L782 VanDerWaalsContact CB-CD2 3.44Å
700	Y	91.7	Very high	93.3	Very high	89 Å²	89	43.1 Å²	43.1	35%	0.349	20%	0.201	S	C	.	.	H	α-helix	trans	-60.2	-43.3	174.7	178.9	-96.7	0	0	0	111.2	N696 L703 T704	N696-Y700 VanDerWaalsContact O-CB 3.28Å; N696-Y700 WeakPolarHBondContact O-CB 3.29Å; N696-Y700 PolarHBondContact O-N 3.09Å; Y700-L703 PolarHBondContact O-N 3.42Å; Y700-T704 HydrophobicContact CD2-CG2 3.97Å; Y700-T704 HydrophobicContact CE1-CG2 4.36Å; Y700-T704 HydrophobicContact CE2-CG2 3.67Å; Y700-T704 HydrophobicContact CG-CG2 4.45Å; Y700-T704 WeakPolarHBondContact O-CB 3.44Å; Y700-T704 WeakPolarHBondContact O-CG2 3.17Å; Y700-T704 PolarHBondContact O-N 2.84Å; Y700-T704 PolarHBondContact O-OG1 3.38Å
701	Y	92.6	Very high	93.5	Very high	37 Å²	37	42.1 Å²	42.1	15%	0.145	20%	0.197	C	C	.	.	H	α-helix	trans	-65.7	-41.4	176.6	-159.4	-78.1	0	0	0	112.2	S643 F647 D697 S698 A699 L703 K705 F706	S643-Y701 WeakPolarHBondContact OG-CD2 3.23Å; F647-Y701 AromaticContact CE2-CD1 3.88Å; F647-Y701 HydrophobicContact CE2-CD1 3.88Å; F647-Y701 HydrophobicContact CE2-CG 4.2Å; F647-Y701 HydrophobicContact CZ-CD1 4.22Å; D697-Y701 WeakPolarHBondContact O-CB 3.49Å; D697-Y701 PolarHBondContact O-N 3.01Å; S698-Y701 PolarHBondContact O-N 3.32Å; A699-Y701 VanDerWaalsContact C-N 3.32Å; A699-Y701 PolarHBondContact O-N 3.48Å; Y701-L703 PolarHBondContact O-N 3.07Å; Y701-K705 HydrophobicContact CD1-CB 3.77Å; Y701-K705 HydrophobicContact CD1-CG 4.3Å; Y701-K705 HydrophobicContact CD2-CB 4.22Å; Y701-K705 HydrophobicContact CD2-CG 3.83Å; Y701-K705 HydrophobicContact CE1-CB 3.63Å; Y701-K705 HydrophobicContact CE1-CG 4.26Å; Y701-K705 HydrophobicContact CE2-CB 4.12Å; Y701-K705 HydrophobicContact CE2-CG 3.81Å; Y701-K705 HydrophobicContact CG-CB 4.05Å; Y701-K705 HydrophobicContact CG-CG 4.08Å; Y701-K705 WeakPolarHBondContact O-CA 3.3Å; Y701-K705 WeakPolarHBondContact O-CB 3.4Å; Y701-K705 PolarHBondContact O-N 3.17Å; Y701-F706 HydrophobicContact CD1-CD1 4.45Å; Y701-F706 AromaticContact CD1-CD2 3.73Å; Y701-F706 HydrophobicContact CD1-CD2 3.73Å; Y701-F706 HydrophobicContact CD1-CE1 4.41Å; Y701-F706 AromaticContact CD1-CE2 3.68Å; Y701-F706 HydrophobicContact CD1-CE2 3.68Å; Y701-F706 HydrophobicContact CD1-CG 4.13Å; Y701-F706 HydrophobicContact CD1-CZ 4.04Å; Y701-F706 AromaticContact CE1-CD1 3.99Å; Y701-F706 HydrophobicContact CE1-CD1 3.99Å; Y701-F706 HydrophobicContact CE1-CD2 4.01Å; Y701-F706 AromaticContact CE1-CE1 3.7Å; Y701-F706 HydrophobicContact CE1-CE1 3.7Å; Y701-F706 AromaticContact CE1-CE2 3.73Å; Y701-F706 HydrophobicContact CE1-CE2 3.73Å; Y701-F706 HydrophobicContact CE1-CG 4.14Å; Y701-F706 AromaticContact CE1-CZ 3.57Å; Y701-F706 HydrophobicContact CE1-CZ 3.57Å; Y701-F706 PolarHBondContact O-N 3.49Å
702	A	93.6	Very high	93.6	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.204	C	C	.	.	I	π-helix	trans	-60.3	-42.7	176.5	0	0	0	0	0	112.4	F647 S698 A699 K707 K708 L711 I715	F647-A702 HydrophobicContact CE1-CB 4.17Å; F647-A702 HydrophobicContact CZ-CB 4.05Å; S698-A702 WeakPolarHBondContact O-CB 3.25Å; S698-A702 PolarHBondContact O-N 3.2Å; A699-A702 PolarHBondContact O-N 3.05Å; A702-K707 WeakPolarHBondContact O-CA 3.43Å; A702-K707 PolarHBondContact O-N 3.04Å; A702-K708 PolarHBondContact O-N 3.17Å; A702-K708 VanDerWaalsContact O-N 3.14Å; A702-L711 HydrophobicContact CB-CB 3.94Å; A702-I715 HydrophobicContact CB-CD1 4.04Å
703	L	93	Very high	93.8	Very high	91 Å²	91	47.8 Å²	47.8	48%	0.476	23%	0.225	S	C	.	.	I	π-helix	trans	-76.9	-43.4	-179.6	-68.1	174.6	0	0	0	113.1	A699 Y700 Y701 Y712	A699-L703 WeakPolarHBondContact O-CG 3.11Å; A699-L703 PolarHBondContact O-N 3.08Å; Y700-L703 PolarHBondContact O-N 3.42Å; Y701-L703 PolarHBondContact O-N 3.07Å; L703-Y712 HydrophobicContact CD1-CD2 3.6Å; L703-Y712 HydrophobicContact CD1-CE2 3.82Å; L703-Y712 HydrophobicContact CD1-CG 4.35Å; L703-Y712 HydrophobicContact CD2-CD2 3.93Å; L703-Y712 HydrophobicContact CD2-CG 3.85Å; L703-Y712 HydrophobicContact CG-CD2 3.69Å; L703-Y712 HydrophobicContact CG-CE2 4.41Å; L703-Y712 HydrophobicContact CG-CG 4.12Å
704	T	88.8	Confident	94.1	Very high	54 Å²	54	48.3 Å²	48.3	33%	0.331	23%	0.227	S	C	.	.	I	π-helix	trans	-95.3	-41.1	-170.1	64.2	0	0	0	0	114.4	Y700 K707	Y700-T704 HydrophobicContact CD2-CG2 3.97Å; Y700-T704 HydrophobicContact CE1-CG2 4.36Å; Y700-T704 HydrophobicContact CE2-CG2 3.67Å; Y700-T704 HydrophobicContact CG-CG2 4.45Å; Y700-T704 WeakPolarHBondContact O-CB 3.44Å; Y700-T704 WeakPolarHBondContact O-CG2 3.17Å; Y700-T704 PolarHBondContact O-N 2.84Å; Y700-T704 PolarHBondContact O-OG1 3.38Å; T704-K707 WeakPolarHBondContact O-CE 3.15Å; T704-K707 WeakPolarHBondContact O-CG 3.5Å
705	K	90.1	Very high	94.2	Very high	97 Å²	97	48.3 Å²	48.3	42%	0.422	23%	0.227	S	C	.	.	I	π-helix	trans	-93.8	-56.5	-176.9	-57.8	-62.9	-174.4	177.2	0	111.1	Y701	Y701-K705 HydrophobicContact CD1-CB 3.77Å; Y701-K705 HydrophobicContact CD1-CG 4.3Å; Y701-K705 HydrophobicContact CD2-CB 4.22Å; Y701-K705 HydrophobicContact CD2-CG 3.83Å; Y701-K705 HydrophobicContact CE1-CB 3.63Å; Y701-K705 HydrophobicContact CE1-CG 4.26Å; Y701-K705 HydrophobicContact CE2-CB 4.12Å; Y701-K705 HydrophobicContact CE2-CG 3.81Å; Y701-K705 HydrophobicContact CG-CB 4.05Å; Y701-K705 HydrophobicContact CG-CG 4.08Å; Y701-K705 WeakPolarHBondContact O-CA 3.3Å; Y701-K705 WeakPolarHBondContact O-CB 3.4Å; Y701-K705 PolarHBondContact O-N 3.17Å
706	F	93.9	Very high	94.2	Very high	1 Å²	1	51.3 Å²	51.3	0%	0.004	24%	0.24	C	C	.	.	I	π-helix	trans	-72.8	-30.4	177.5	-69.7	-37.2	0	0	0	113.1	V81 Y84 T85 F308 F647 Y701 K708 L711	V81-F706 HydrophobicContact CB-CD1 4.45Å; V81-F706 HydrophobicContact CG1-CB 4.35Å; V81-F706 HydrophobicContact CG1-CD1 4.01Å; V81-F706 VanDerWaalsContact CG1-O 3.25Å; V81-F706 WeakPolarHBondContact CG1-O 3.43Å; V81-F706 HydrophobicContact CG2-CD1 3.99Å; V81-F706 HydrophobicContact CG2-CE1 4.49Å; Y84-F706 AromaticContact CD1-CE1 3.78Å; Y84-F706 HydrophobicContact CD1-CE1 3.78Å; Y84-F706 HydrophobicContact CD1-CE2 4.38Å; Y84-F706 AromaticContact CD1-CZ 3.68Å; Y84-F706 HydrophobicContact CD1-CZ 3.68Å; Y84-F706 HydrophobicContact CE1-CE1 4.09Å; Y84-F706 AromaticContact CE1-CE2 3.96Å; Y84-F706 HydrophobicContact CE1-CE2 3.96Å; Y84-F706 AromaticContact CE1-CZ 3.48Å; Y84-F706 HydrophobicContact CE1-CZ 3.48Å; Y84-F706 VanDerWaalsContact CE1-CZ 3.48Å; T85-F706 HydrophobicContact CG2-CB 4.29Å; T85-F706 HydrophobicContact CG2-CD1 4.15Å; T85-F706 HydrophobicContact CG2-CG 4.13Å; F308-F706 AromaticContact CE1-CE1 3.81Å; F308-F706 HydrophobicContact CE1-CE1 3.81Å; F308-F706 HydrophobicContact CE1-CZ 4.49Å; F308-F706 HydrophobicContact CZ-CE1 4.07Å; F647-F706 HydrophobicContact CD1-CD2 4.22Å; F647-F706 AromaticContact CD1-CE2 3.72Å; F647-F706 HydrophobicContact CD1-CE2 3.72Å; F647-F706 AromaticContact CD2-CE2 3.75Å; F647-F706 HydrophobicContact CD2-CE2 3.75Å; F647-F706 AromaticContact CE1-CD2 3.73Å; F647-F706 HydrophobicContact CE1-CD2 3.73Å; F647-F706 AromaticContact CE1-CE2 3.64Å; F647-F706 HydrophobicContact CE1-CE2 3.64Å; F647-F706 HydrophobicContact CE2-CD2 4.2Å; F647-F706 AromaticContact CE2-CE2 3.67Å; F647-F706 HydrophobicContact CE2-CE2 3.67Å; F647-F706 AromaticContact CG-CE2 3.79Å; F647-F706 HydrophobicContact CG-CE2 3.79Å; F647-F706 AromaticContact CZ-CD2 3.71Å; F647-F706 HydrophobicContact CZ-CD2 3.71Å; F647-F706 AromaticContact CZ-CE2 3.6Å; F647-F706 HydrophobicContact CZ-CE2 3.6Å; Y701-F706 HydrophobicContact CD1-CD1 4.45Å; Y701-F706 AromaticContact CD1-CD2 3.73Å; Y701-F706 HydrophobicContact CD1-CD2 3.73Å; Y701-F706 HydrophobicContact CD1-CE1 4.41Å; Y701-F706 AromaticContact CD1-CE2 3.68Å; Y701-F706 HydrophobicContact CD1-CE2 3.68Å; Y701-F706 HydrophobicContact CD1-CG 4.13Å; Y701-F706 HydrophobicContact CD1-CZ 4.04Å; Y701-F706 AromaticContact CE1-CD1 3.99Å; Y701-F706 HydrophobicContact CE1-CD1 3.99Å; Y701-F706 HydrophobicContact CE1-CD2 4.01Å; Y701-F706 AromaticContact CE1-CE1 3.7Å; Y701-F706 HydrophobicContact CE1-CE1 3.7Å; Y701-F706 AromaticContact CE1-CE2 3.73Å; Y701-F706 HydrophobicContact CE1-CE2 3.73Å; Y701-F706 HydrophobicContact CE1-CG 4.14Å; Y701-F706 AromaticContact CE1-CZ 3.57Å; Y701-F706 HydrophobicContact CE1-CZ 3.57Å; Y701-F706 PolarHBondContact O-N 3.49Å; F706-K708 HydrophobicContact CB-CG 4.43Å; F706-K708 PolarHBondContact O-NZ 3.15Å; F706-L711 HydrophobicContact CB-CD1 4.08Å; F706-L711 HydrophobicContact CD2-CD1 3.63Å; F706-L711 HydrophobicContact CE2-CD1 4.39Å; F706-L711 HydrophobicContact CG-CD1 4.13Å
707	K	94.6	Very high	94.3	Very high	128 Å²	128	52.9 Å²	52.9	56%	0.557	26%	0.258	S	S	*	.			trans	52.6	55	-178	-53.1	170.6	-170.9	166.8	0	110.9	E78 A702 T704	E78-K707 IonicContact OE1-NZ 3.7Å; E78-K707 PolarHBondContact OE1-NZ 3.03Å; A702-K707 WeakPolarHBondContact O-CA 3.43Å; A702-K707 PolarHBondContact O-N 3.04Å; T704-K707 WeakPolarHBondContact O-CE 3.15Å; T704-K707 WeakPolarHBondContact O-CG 3.5Å
708	K	93.6	Very high	94.5	Very high	63 Å²	63	52.2 Å²	52.2	27%	0.274	25%	0.254	S	S	.	.			trans	-133.4	126.5	178.7	-60.8	-64.2	161	-67.4	0	111.1	T85 A702 F706 F710 L711	T85-K708 HydrophobicContact CG2-CG 4.02Å; T85-K708 VanDerWaalsContact OG1-CE 3.31Å; T85-K708 WeakPolarHBondContact OG1-CE 3.47Å; A702-K708 PolarHBondContact O-N 3.17Å; A702-K708 VanDerWaalsContact O-N 3.14Å; F706-K708 HydrophobicContact CB-CG 4.43Å; F706-K708 PolarHBondContact O-NZ 3.15Å; K708-F710 HydrophobicContact CB-CD1 4.12Å; K708-F710 HydrophobicContact CB-CE1 3.93Å; K708-F710 HydrophobicContact CD-CE1 4.11Å; K708-F710 HydrophobicContact CG-CE1 4.06Å; K708-L711 HydrophobicContact CB-CB 4.42Å; K708-L711 HydrophobicContact CB-CD1 4.06Å; K708-L711 HydrophobicContact CB-CG 4.14Å; K708-L711 HydrophobicContact CG-CD1 4.36Å
709	Q	95.1	Very high	94.6	Very high	159 Å²	159	52.9 Å²	52.9	74%	0.743	26%	0.258	S	S	*	.	H	α-helix	trans	-66.7	-52.2	177.9	-72.7	172.7	-30.7	0	0	111.4	L711 Y712 D713	Q709-L711 PolarHBondContact O-N 3.49Å; Q709-Y712 CarbonylContact O-C 3.54Å; Q709-Y712 WeakPolarHBondContact O-CA 3.29Å; Q709-Y712 WeakPolarHBondContact O-CB 3.43Å; Q709-Y712 PolarHBondContact O-N 2.96Å; Q709-D713 VanDerWaalsContact C-OD2 3.28Å; Q709-D713 PolarHBondContact O-N 3.1Å
710	F	96	Very high	94.6	Very high	62 Å²	62	58 Å²	58	27%	0.272	29%	0.285	S	S	.	.	H	α-helix	trans	-54.8	-31.7	-176	77.5	-95.3	0	0	0	114.8	K708 D713 E714	K708-F710 HydrophobicContact CB-CD1 4.12Å; K708-F710 HydrophobicContact CB-CE1 3.93Å; K708-F710 HydrophobicContact CD-CE1 4.11Å; K708-F710 HydrophobicContact CG-CE1 4.06Å; F710-D713 WeakPolarHBondContact CA-OD2 3.5Å; F710-D713 PolarHBondContact N-OD2 3.27Å; F710-E714 WeakPolarHBondContact O-CB 3.5Å; F710-E714 VanDerWaalsContact O-CG 3.29Å; F710-E714 WeakPolarHBondContact O-CG 3.44Å; F710-E714 PolarHBondContact O-N 2.85Å
711	L	96.6	Very high	94.8	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-68.6	-41.9	174.6	-69.4	179.7	0	0	0	111.7	T85 W646 F647 E649 A702 F706 K708 Q709 I715	T85-L711 HydrophobicContact CG2-CD1 3.85Å; W646-L711 HydrophobicContact CZ3-CD2 4.46Å; F647-L711 HydrophobicContact CD1-CD1 4.46Å; F647-L711 HydrophobicContact CE1-CB 4.45Å; F647-L711 HydrophobicContact CE1-CD1 4.1Å; E649-L711 HydrophobicContact CG-CD2 4.49Å; A702-L711 HydrophobicContact CB-CB 3.94Å; F706-L711 HydrophobicContact CB-CD1 4.08Å; F706-L711 HydrophobicContact CD2-CD1 3.63Å; F706-L711 HydrophobicContact CE2-CD1 4.39Å; F706-L711 HydrophobicContact CG-CD1 4.13Å; K708-L711 HydrophobicContact CB-CB 4.42Å; K708-L711 HydrophobicContact CB-CD1 4.06Å; K708-L711 HydrophobicContact CB-CG 4.14Å; K708-L711 HydrophobicContact CG-CD1 4.36Å; Q709-L711 PolarHBondContact O-N 3.49Å; L711-I715 WeakPolarHBondContact O-CD1 3.32Å; L711-I715 VanDerWaalsContact O-CG1 3.22Å; L711-I715 WeakPolarHBondContact O-CG1 3.33Å; L711-I715 PolarHBondContact O-N 3.29Å
712	Y	96	Very high	95.1	Very high	38 Å²	38	56.3 Å²	56.3	15%	0.149	28%	0.284	C	S	.	.	H	α-helix	trans	-67.1	-42.1	173.8	175.9	-86.4	0	0	0	111.2	A699 L703 Q709 E714 I715 E716 R784	A699-Y712 HydrophobicContact CB-CD2 3.91Å; A699-Y712 HydrophobicContact CB-CE2 3.99Å; L703-Y712 HydrophobicContact CD1-CD2 3.6Å; L703-Y712 HydrophobicContact CD1-CE2 3.82Å; L703-Y712 HydrophobicContact CD1-CG 4.35Å; L703-Y712 HydrophobicContact CD2-CD2 3.93Å; L703-Y712 HydrophobicContact CD2-CG 3.85Å; L703-Y712 HydrophobicContact CG-CD2 3.69Å; L703-Y712 HydrophobicContact CG-CE2 4.41Å; L703-Y712 HydrophobicContact CG-CG 4.12Å; Q709-Y712 CarbonylContact O-C 3.54Å; Q709-Y712 WeakPolarHBondContact O-CA 3.29Å; Q709-Y712 WeakPolarHBondContact O-CB 3.43Å; Q709-Y712 PolarHBondContact O-N 2.96Å; Y712-E714 VanDerWaalsContact C-N 3.27Å; Y712-E714 PolarHBondContact O-N 3.22Å; Y712-I715 PolarHBondContact O-N 3.16Å; Y712-E716 HydrophobicContact CE1-CB 4.16Å; Y712-E716 VanDerWaalsContact CE1-OE1 3.25Å; Y712-E716 WeakPolarHBondContact CE1-OE1 3.33Å; Y712-E716 VanDerWaalsContact CZ-OE1 3.29Å; Y712-E716 WeakPolarHBondContact O-CB 3.34Å; Y712-E716 PolarHBondContact O-N 2.67Å; Y712-E716 PolarHBondContact OH-OE1 3.45Å; Y712-R784 PolarHBondContact OH-NH1 3.37Å
713	D	96.5	Very high	95.2	Very high	87 Å²	87	57.2 Å²	57.2	47%	0.465	29%	0.288	S	S	.	.	H	α-helix	trans	-59.6	-38.7	178.4	-53.4	-29.1	0	0	0	111.3	Q709 F710 A717	Q709-D713 VanDerWaalsContact C-OD2 3.28Å; Q709-D713 PolarHBondContact O-N 3.1Å; F710-D713 WeakPolarHBondContact CA-OD2 3.5Å; F710-D713 PolarHBondContact N-OD2 3.27Å; D713-A717 WeakPolarHBondContact O-CB 3.5Å; D713-A717 PolarHBondContact O-N 3.23Å
714	E	97.4	Very high	95.3	Very high	42 Å²	42	57.4 Å²	57.4	20%	0.196	29%	0.289	C	S	.	.	H	α-helix	trans	-72.6	-39.6	175.6	-75.3	172.4	-167.4	0	0	113.3	R87 W646 Q661 F710 Y712 E716 E718	R87-E714 IonicContact CZ-OE1 2.77Å; R87-E714 IonicContact CZ-OE2 3.17Å; R87-E714 IonicContact NH1-OE1 3.44Å; R87-E714 PolarHBondContact NH1-OE1 3.23Å; R87-E714 IonicContact NH1-OE2 3.58Å; R87-E714 PolarHBondContact NH1-OE2 2.74Å; R87-E714 IonicContact NH2-OE1 3Å; R87-E714 PolarHBondContact NH2-OE1 3.25Å; R87-E714 IonicContact NH2-OE2 3.91Å; R87-E714 PolarHBondContact NH2-OE2 2.88Å; W646-E714 HydrophobicContact CH2-CB 3.84Å; W646-E714 HydrophobicContact CZ2-CB 4.16Å; Q661-E714 PolarHBondContact NE2-OE2 2.87Å; F710-E714 WeakPolarHBondContact O-CB 3.5Å; F710-E714 VanDerWaalsContact O-CG 3.29Å; F710-E714 WeakPolarHBondContact O-CG 3.44Å; F710-E714 PolarHBondContact O-N 2.85Å; Y712-E714 VanDerWaalsContact C-N 3.27Å; Y712-E714 PolarHBondContact O-N 3.22Å; E714-E716 VanDerWaalsContact C-N 3.32Å; E714-E718 WeakPolarHBondContact O-CB 3.32Å; E714-E718 PolarHBondContact O-N 3.28Å
715	I	96.6	Very high	95.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.4	-43.6	171.9	-69.1	162.5	0	0	0	110.2	W646 F647 Y695 A699 A702 L711 Y712 E718 V719 L782	W646-I715 HydrophobicContact CD2-CD1 4.27Å; W646-I715 HydrophobicContact CD2-CG1 3.63Å; W646-I715 HydrophobicContact CE3-CD1 3.78Å; W646-I715 HydrophobicContact CE3-CG1 3.53Å; W646-I715 HydrophobicContact CG-CG1 4.48Å; W646-I715 HydrophobicContact CH2-CD1 4.39Å; W646-I715 HydrophobicContact CH2-CG1 3.57Å; W646-I715 HydrophobicContact CZ2-CB 4.49Å; W646-I715 HydrophobicContact CZ2-CG1 3.65Å; W646-I715 HydrophobicContact CZ3-CD1 3.86Å; W646-I715 HydrophobicContact CZ3-CG1 3.5Å; F647-I715 HydrophobicContact CE1-CD1 4.25Å; F647-I715 HydrophobicContact CZ-CD1 4.45Å; Y695-I715 HydrophobicContact CD1-CG2 4.14Å; A699-I715 HydrophobicContact CB-CG2 4.11Å; A702-I715 HydrophobicContact CB-CD1 4.04Å; L711-I715 WeakPolarHBondContact O-CD1 3.32Å; L711-I715 VanDerWaalsContact O-CG1 3.22Å; L711-I715 WeakPolarHBondContact O-CG1 3.33Å; L711-I715 PolarHBondContact O-N 3.29Å; Y712-I715 PolarHBondContact O-N 3.16Å; I715-E718 PolarHBondContact O-N 2.85Å; I715-V719 HydrophobicContact CG2-CG2 4.38Å; I715-V719 WeakPolarHBondContact O-CB 3.39Å; I715-V719 VanDerWaalsContact O-CG2 3.32Å; I715-V719 WeakPolarHBondContact O-CG2 3.26Å; I715-V719 PolarHBondContact O-N 3.13Å; I715-L782 HydrophobicContact CG2-CD1 4.46Å; I715-L782 HydrophobicContact CG2-CD2 4.05Å
716	E	95.9	Very high	96	Very high	62 Å²	62	53.3 Å²	53.3	29%	0.29	27%	0.268	S	S	.	.	H	α-helix	trans	-65.7	-43.5	179.8	-175.3	167.4	-87.5	0	0	112.1	Y712 E714 V719 N720 L782 R784	Y712-E716 HydrophobicContact CE1-CB 4.16Å; Y712-E716 VanDerWaalsContact CE1-OE1 3.25Å; Y712-E716 WeakPolarHBondContact CE1-OE1 3.33Å; Y712-E716 VanDerWaalsContact CZ-OE1 3.29Å; Y712-E716 WeakPolarHBondContact O-CB 3.34Å; Y712-E716 PolarHBondContact O-N 2.67Å; Y712-E716 PolarHBondContact OH-OE1 3.45Å; E714-E716 VanDerWaalsContact C-N 3.32Å; E716-V719 PolarHBondContact O-N 3.39Å; E716-N720 WeakPolarHBondContact O-CB 3.35Å; E716-N720 PolarHBondContact O-N 3.34Å; E716-L782 HydrophobicContact CB-CD1 4.02Å; E716-L782 HydrophobicContact CG-CD1 4.17Å; E716-R784 IonicContact OE1-CZ 2.81Å; E716-R784 IonicContact OE1-NH1 2.67Å; E716-R784 PolarHBondContact OE1-NH1 2.66Å; E716-R784 IonicContact OE1-NH2 2.78Å; E716-R784 PolarHBondContact OE1-NH2 2.85Å; E716-R784 IonicContact OE2-NH2 3.69Å
717	A	96.4	Very high	96.1	Very high	66 Å²	66	53.3 Å²	53.3	55%	0.545	27%	0.268	S	S	.	.	H	α-helix	trans	-63.6	-41	174.2	0	0	0	0	0	112.4	D713 N720 L721	D713-A717 WeakPolarHBondContact O-CB 3.5Å; D713-A717 PolarHBondContact O-N 3.23Å; A717-N720 PolarHBondContact O-N 3.28Å; A717-L721 PolarHBondContact O-N 3.48Å
718	E	97.7	Very high	96.2	Very high	15 Å²	15	54.4 Å²	54.4	7%	0.07	27%	0.27	C	S	.	.	H	α-helix	trans	-65.7	-46.5	176.6	-172.9	174.8	129.8	0	0	111.6	W646 R648 I664 S667 Y695 E714 I715 N720 L721 C722	W646-E718 PolarHBondContact NE1-OE1 3.3Å; W646-E718 VanDerWaalsContact NE1-OE1 3.15Å; W646-E718 PolarHBondContact NE1-OE2 3.31Å; R648-E718 IonicContact CZ-OE2 3.84Å; R648-E718 IonicContact NH1-OE2 2.71Å; R648-E718 IonicContact NH2-OE2 2.78Å; R648-E718 PolarHBondContact NH2-OE2 2.82Å; I664-E718 HydrophobicContact CG2-CG 3.88Å; S667-E718 WeakPolarHBondContact CB-OE1 3.18Å; S667-E718 PolarHBondContact OG-OE1 2.7Å; Y695-E718 HydrophobicContact CE1-CG 4.15Å; Y695-E718 VanDerWaalsContact CE1-OE1 3.23Å; Y695-E718 WeakPolarHBondContact CE1-OE1 3.4Å; Y695-E718 PolarHBondContact OH-OE1 3.15Å; E714-E718 WeakPolarHBondContact O-CB 3.32Å; E714-E718 PolarHBondContact O-N 3.28Å; I715-E718 PolarHBondContact O-N 2.85Å; E718-N720 VanDerWaalsContact C-N 3.33Å; E718-N720 PolarHBondContact O-N 3.33Å; E718-L721 PolarHBondContact O-N 2.94Å; E718-C722 VanDerWaalsContact O-CB 3.32Å; E718-C722 WeakPolarHBondContact O-CB 3.35Å; E718-C722 PolarHBondContact O-N 3.33Å; E718-C722 PolarHBondContact O-SG 2.94Å
719	V	96.1	Very high	96.3	Very high	14 Å²	14	53.6 Å²	53.6	9%	0.085	27%	0.266	C	S	.	.	H	α-helix	trans	-59.5	-42.7	176	165.3	0	0	0	0	111.4	Y695 I715 E716 L721 C722 F723 L781 L782	Y695-V719 HydrophobicContact CD1-CG2 3.56Å; Y695-V719 HydrophobicContact CD2-CG2 3.61Å; Y695-V719 HydrophobicContact CE1-CG2 4.08Å; Y695-V719 HydrophobicContact CE2-CG2 4.13Å; Y695-V719 HydrophobicContact CG-CG2 3.28Å; I715-V719 HydrophobicContact CG2-CG2 4.38Å; I715-V719 WeakPolarHBondContact O-CB 3.39Å; I715-V719 VanDerWaalsContact O-CG2 3.32Å; I715-V719 WeakPolarHBondContact O-CG2 3.26Å; I715-V719 PolarHBondContact O-N 3.13Å; E716-V719 PolarHBondContact O-N 3.39Å; V719-L721 VanDerWaalsContact C-N 3.35Å; V719-L721 PolarHBondContact O-N 2.87Å; V719-C722 PolarHBondContact O-N 3.43Å; V719-F723 WeakPolarHBondContact O-CB 3.49Å; V719-F723 PolarHBondContact O-N 2.96Å; V719-L781 HydrophobicContact CG1-CD2 3.71Å; V719-L781 HydrophobicContact CG1-CG 4.02Å; V719-L782 HydrophobicContact CB-CD1 3.74Å; V719-L782 HydrophobicContact CG1-CD1 3.85Å; V719-L782 HydrophobicContact CG1-CG 4.28Å; V719-L782 HydrophobicContact CG2-CD1 3.85Å; V719-L782 HydrophobicContact CG2-CG 4.29Å
720	N	95.2	Very high	96.4	Very high	113 Å²	113	46 Å²	46	60%	0.604	23%	0.231	S	C	*	.	H	α-helix	trans	-60.2	-45.3	-179.6	-163.6	44.7	0	0	0	111.4	E716 A717 E718 D724	E716-N720 WeakPolarHBondContact O-CB 3.35Å; E716-N720 PolarHBondContact O-N 3.34Å; A717-N720 PolarHBondContact O-N 3.28Å; E718-N720 VanDerWaalsContact C-N 3.33Å; E718-N720 PolarHBondContact O-N 3.33Å; N720-D724 PolarHBondContact O-N 2.89Å
721	L	96.5	Very high	96.4	Very high	89 Å²	89	43.2 Å²	43.2	47%	0.466	22%	0.219	S	C	.	.	H	α-helix	trans	-66.7	-45.8	175.7	176.4	60.5	0	0	0	112.8	I664 A717 E718 V719 Q725	I664-L721 HydrophobicContact CD1-CD2 4.11Å; I664-L721 HydrophobicContact CD1-CG 4.32Å; I664-L721 HydrophobicContact CG2-CD2 4.05Å; A717-L721 PolarHBondContact O-N 3.48Å; E718-L721 PolarHBondContact O-N 2.94Å; V719-L721 VanDerWaalsContact C-N 3.35Å; V719-L721 PolarHBondContact O-N 2.87Å; L721-Q725 PolarHBondContact O-N 2.82Å
722	C	96.9	Very high	96.3	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.007	23%	0.232	C	C	.	.	H	α-helix	trans	-67.4	-37.3	-178.2	-67.7	0	0	0	0	111.8	W670 E718 V719 Q725 F726	W670-C722 HydrophobicContact CD2-CB 4.03Å; W670-C722 HydrophobicContact CE3-CB 3.47Å; W670-C722 VanDerWaalsContact CE3-CB 3.47Å; W670-C722 HydrophobicContact CH2-CB 4.47Å; W670-C722 WeakPolarHBondContact CH2-O 3.41Å; W670-C722 HydrophobicContact CZ3-CB 3.73Å; W670-C722 VanDerWaalsContact CZ3-O 3.26Å; W670-C722 WeakPolarHBondContact CZ3-O 3.38Å; E718-C722 VanDerWaalsContact O-CB 3.32Å; E718-C722 WeakPolarHBondContact O-CB 3.35Å; E718-C722 PolarHBondContact O-N 3.33Å; E718-C722 PolarHBondContact O-SG 2.94Å; V719-C722 PolarHBondContact O-N 3.43Å; C722-Q725 PolarHBondContact O-N 3.38Å; C722-F726 WeakPolarHBondContact O-CB 3.37Å; C722-F726 PolarHBondContact O-N 3.05Å
723	F	95.6	Very high	96.3	Very high	20 Å²	20	44.2 Å²	44.2	9%	0.088	23%	0.226	C	C	.	.	H	α-helix	trans	-72.8	-36.5	-178.6	-166	-96.2	0	0	0	112.4	L692 V719 F726 V727 L781 I786 L788 L791	L692-F723 HydrophobicContact CD1-CD2 4.49Å; V719-F723 WeakPolarHBondContact O-CB 3.49Å; V719-F723 PolarHBondContact O-N 2.96Å; F723-F726 HydrophobicContact CD2-CD1 4.32Å; F723-F726 HydrophobicContact CE2-CD1 4.1Å; F723-F726 HydrophobicContact CE2-CE1 4.41Å; F723-F726 WeakPolarHBondContact O-CB 3.43Å; F723-F726 PolarHBondContact O-N 3.34Å; F723-V727 HydrophobicContact CD1-CG2 3.97Å; F723-V727 HydrophobicContact CE1-CG2 3.56Å; F723-V727 HydrophobicContact CZ-CG2 3.96Å; F723-V727 WeakPolarHBondContact O-CG2 3.32Å; F723-V727 PolarHBondContact O-N 3.4Å; F723-L781 HydrophobicContact CD2-CD2 3.83Å; F723-L781 HydrophobicContact CE2-CD2 4.28Å; F723-I786 HydrophobicContact CD1-CD1 4.44Å; F723-I786 HydrophobicContact CE1-CD1 3.99Å; F723-I786 HydrophobicContact CE1-CG2 3.81Å; F723-I786 HydrophobicContact CE2-CD1 4.17Å; F723-I786 HydrophobicContact CZ-CB 4.4Å; F723-I786 HydrophobicContact CZ-CD1 3.85Å; F723-I786 HydrophobicContact CZ-CG2 3.71Å; F723-L788 HydrophobicContact CZ-CD1 4.41Å; F723-L791 HydrophobicContact CE1-CD1 3.72Å; F723-L791 HydrophobicContact CZ-CD1 4.33Å
724	D	95.6	Very high	96.3	Very high	95 Å²	95	40 Å²	40	51%	0.508	20%	0.204	S	C	.	.	H	α-helix	trans	-62.2	-42.5	170.8	-91.6	-16.6	0	0	0	111.7	N720 Y728	N720-D724 PolarHBondContact O-N 2.89Å; D724-Y728 WeakPolarHBondContact O-CB 3.33Å; D724-Y728 PolarHBondContact O-N 3.01Å
725	Q	96.5	Very high	96.3	Very high	64 Å²	64	38.1 Å²	38.1	30%	0.299	20%	0.195	S	C	.	.	H	α-helix	trans	-65.2	-41	173.8	-70.6	-172.9	47.6	0	0	112.3	W670 L721 C722 Y728 K729	W670-Q725 HydrophobicContact CH2-CB 3.71Å; W670-Q725 HydrophobicContact CZ2-CB 3.87Å; L721-Q725 PolarHBondContact O-N 2.82Å; C722-Q725 PolarHBondContact O-N 3.38Å; Q725-Y728 PolarHBondContact O-N 3.21Å; Q725-K729 WeakPolarHBondContact O-CB 3.27Å; Q725-K729 WeakPolarHBondContact O-CG 3.26Å; Q725-K729 PolarHBondContact O-N 2.74Å
726	F	96.9	Very high	96.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-57.2	-52.6	174.6	172.9	-89.1	0	0	0	111.2	W670 T673 L677 V688 L689 L692 C722 F723 Y728 K729 L730 L788	W670-F726 HydrophobicContact CZ3-CB 4.44Å; T673-F726 HydrophobicContact CG2-CD2 3.95Å; T673-F726 HydrophobicContact CG2-CE2 4.49Å; L677-F726 HydrophobicContact CD1-CB 4.27Å; L677-F726 HydrophobicContact CD1-CD2 3.88Å; L677-F726 HydrophobicContact CD1-CG 4.44Å; L677-F726 HydrophobicContact CD2-CD2 4.07Å; L677-F726 HydrophobicContact CD2-CE2 4.21Å; L677-F726 HydrophobicContact CG-CD2 4.4Å; V688-F726 HydrophobicContact CG1-CE2 3.83Å; V688-F726 HydrophobicContact CG1-CZ 4.18Å; V688-F726 HydrophobicContact CG2-CE2 3.93Å; L689-F726 HydrophobicContact CD2-CE1 4.3Å; L689-F726 HydrophobicContact CD2-CE2 4.32Å; L689-F726 HydrophobicContact CD2-CZ 3.65Å; L692-F726 HydrophobicContact CD1-CD1 4.37Å; L692-F726 HydrophobicContact CD1-CD2 3.65Å; L692-F726 HydrophobicContact CD1-CE1 4.43Å; L692-F726 HydrophobicContact CD1-CE2 3.75Å; L692-F726 HydrophobicContact CD1-CG 4.01Å; L692-F726 HydrophobicContact CD1-CZ 4.15Å; C722-F726 WeakPolarHBondContact O-CB 3.37Å; C722-F726 PolarHBondContact O-N 3.05Å; F723-F726 HydrophobicContact CD2-CD1 4.32Å; F723-F726 HydrophobicContact CE2-CD1 4.1Å; F723-F726 HydrophobicContact CE2-CE1 4.41Å; F723-F726 WeakPolarHBondContact O-CB 3.43Å; F723-F726 PolarHBondContact O-N 3.34Å; F726-Y728 VanDerWaalsContact C-N 3.32Å; F726-Y728 PolarHBondContact O-N 2.86Å; F726-K729 PolarHBondContact O-N 3.01Å; F726-L730 HydrophobicContact CE1-CD2 3.72Å; F726-L730 HydrophobicContact CE2-CD2 4.49Å; F726-L730 HydrophobicContact CZ-CD2 3.69Å; F726-L730 WeakPolarHBondContact O-CB 3.21Å; F726-L730 PolarHBondContact O-N 2.73Å; F726-L788 HydrophobicContact CD1-CD1 4.41Å; F726-L788 HydrophobicContact CE1-CD1 3.81Å; F726-L788 HydrophobicContact CE1-CD2 3.9Å; F726-L788 HydrophobicContact CZ-CD2 4.3Å
727	V	96.7	Very high	96.3	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-62	-39.8	179.2	172.5	0	0	0	0	111.3	F723 A731 L788 L791	F723-V727 HydrophobicContact CD1-CG2 3.97Å; F723-V727 HydrophobicContact CE1-CG2 3.56Å; F723-V727 HydrophobicContact CZ-CG2 3.96Å; F723-V727 WeakPolarHBondContact O-CG2 3.32Å; F723-V727 PolarHBondContact O-N 3.4Å; V727-A731 VanDerWaalsContact O-CB 3.22Å; V727-A731 WeakPolarHBondContact O-CB 3.42Å; V727-A731 PolarHBondContact O-N 3.45Å; V727-L788 HydrophobicContact CG2-CD1 4.09Å; V727-L791 HydrophobicContact CG1-CB 4.02Å; V727-L791 HydrophobicContact CG2-CB 4.45Å; V727-L791 HydrophobicContact CG2-CD1 4.13Å
728	Y	96.2	Very high	96.3	Very high	152 Å²	152	35 Å²	35	60%	0.596	17%	0.172	S	C	*	.	H	α-helix	trans	-64.6	-57.4	176.9	179.8	-93.4	0	0	0	112.1	D724 Q725 F726 L730 A731 D732	D724-Y728 WeakPolarHBondContact O-CB 3.33Å; D724-Y728 PolarHBondContact O-N 3.01Å; Q725-Y728 PolarHBondContact O-N 3.21Å; F726-Y728 VanDerWaalsContact C-N 3.32Å; F726-Y728 PolarHBondContact O-N 2.86Å; Y728-L730 VanDerWaalsContact C-N 3.28Å; Y728-L730 PolarHBondContact O-N 3Å; Y728-A731 PolarHBondContact O-N 3.31Å; Y728-D732 WeakPolarHBondContact O-CB 3.16Å; Y728-D732 PolarHBondContact O-N 2.87Å
729	K	96.6	Very high	96.3	Very high	45 Å²	45	34.3 Å²	34.3	20%	0.196	17%	0.169	C	C	.	.	H	α-helix	trans	-60.9	-37.6	-178.7	-72.7	-166.7	179.4	-166.3	0	111.6	D674 L677 E678 Q725 F726 Q733	D674-K729 VanDerWaalsContact CG-NZ 3.3Å; D674-K729 WeakPolarHBondContact OD1-CD 3.33Å; D674-K729 VanDerWaalsContact OD1-CE 3.3Å; D674-K729 WeakPolarHBondContact OD1-CE 3.4Å; D674-K729 IonicContact OD1-NZ 3.84Å; D674-K729 PolarHBondContact OD1-NZ 3.16Å; D674-K729 IonicContact OD2-NZ 3.33Å; D674-K729 PolarHBondContact OD2-NZ 3.11Å; D674-K729 VanDerWaalsContact OD2-NZ 3.16Å; L677-K729 HydrophobicContact CB-CB 4.2Å; L677-K729 HydrophobicContact CB-CD 4.01Å; L677-K729 HydrophobicContact CD1-CB 4.2Å; L677-K729 HydrophobicContact CD1-CD 4.28Å; E678-K729 IonicContact OE2-NZ 2.89Å; E678-K729 PolarHBondContact OE2-NZ 2.76Å; Q725-K729 WeakPolarHBondContact O-CB 3.27Å; Q725-K729 WeakPolarHBondContact O-CG 3.26Å; Q725-K729 PolarHBondContact O-N 2.74Å; F726-K729 PolarHBondContact O-N 3.01Å; K729-Q733 VanDerWaalsContact O-CG 3.26Å; K729-Q733 WeakPolarHBondContact O-CG 3.36Å; K729-Q733 PolarHBondContact O-N 3.35Å; K729-Q733 PolarHBondContact O-NE2 3.36Å
730	L	96.2	Very high	96.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-70.6	-44.4	178.9	-176.7	58.1	0	0	0	112.1	L677 M685 F726 Y728 Q733 I734 Y770 L773 L788 I792	L677-L730 HydrophobicContact CD2-CB 4.3Å; M685-L730 HydrophobicContact SD-CD1 4.2Å; F726-L730 HydrophobicContact CE1-CD2 3.72Å; F726-L730 HydrophobicContact CE2-CD2 4.49Å; F726-L730 HydrophobicContact CZ-CD2 3.69Å; F726-L730 WeakPolarHBondContact O-CB 3.21Å; F726-L730 PolarHBondContact O-N 2.73Å; Y728-L730 VanDerWaalsContact C-N 3.28Å; Y728-L730 PolarHBondContact O-N 3Å; L730-Q733 WeakPolarHBondContact O-CG 3.08Å; L730-I734 HydrophobicContact CD1-CD1 3.71Å; L730-I734 HydrophobicContact CD1-CG1 4.15Å; L730-I734 HydrophobicContact CG-CD1 3.77Å; L730-I734 WeakPolarHBondContact O-CB 3.46Å; L730-I734 WeakPolarHBondContact O-CD1 3.26Å; L730-I734 WeakPolarHBondContact O-CG1 3.4Å; L730-I734 PolarHBondContact O-N 2.91Å; L730-Y770 HydrophobicContact CD1-CD1 3.98Å; L730-Y770 HydrophobicContact CD1-CE1 4.18Å; L730-L773 HydrophobicContact CD1-CD1 3.69Å; L730-L773 HydrophobicContact CD2-CB 4.34Å; L730-L773 HydrophobicContact CD2-CD1 3.97Å; L730-L788 HydrophobicContact CD2-CD1 4.48Å; L730-L788 HydrophobicContact CD2-CD2 4.28Å; L730-I792 HydrophobicContact CD2-CD1 3.79Å; L730-I792 HydrophobicContact CG-CD1 4.16Å
731	A	96.7	Very high	96.4	Very high	3 Å²	3	31.1 Å²	31.1	3%	0.025	15%	0.152	C	C	.	.	H	α-helix	trans	-66.9	-39.9	178.9	0	0	0	0	0	112.7	V727 Y728 F735 I792 R795	V727-A731 VanDerWaalsContact O-CB 3.22Å; V727-A731 WeakPolarHBondContact O-CB 3.42Å; V727-A731 PolarHBondContact O-N 3.45Å; Y728-A731 PolarHBondContact O-N 3.31Å; A731-F735 WeakPolarHBondContact O-CB 3.46Å; A731-F735 PolarHBondContact O-N 3.48Å; A731-I792 HydrophobicContact CB-CG2 4.41Å; A731-R795 HydrophobicContact CB-CB 3.65Å; A731-R795 HydrophobicContact CB-CG 4.24Å
732	D	95	Very high	96.4	Very high	51 Å²	51	26.9 Å²	26.9	27%	0.273	13%	0.13	S	C	.	.	H	α-helix	trans	-64.2	-47.7	178.9	-169.8	78.3	0	0	0	111.7	Y728 I734 F735 A736 Y910	Y728-D732 WeakPolarHBondContact O-CB 3.16Å; Y728-D732 PolarHBondContact O-N 2.87Å; D732-I734 PolarHBondContact O-N 3.08Å; D732-F735 PolarHBondContact O-N 3.07Å; D732-A736 WeakPolarHBondContact O-CB 3.3Å; D732-A736 PolarHBondContact O-N 2.9Å; D732-Y910 PolarHBondContact OD1-OH 3.44Å
733	Q	95.4	Very high	96.4	Very high	8 Å²	8	26.8 Å²	26.8	4%	0.037	13%	0.129	C	C	.	.	H	α-helix	trans	-68	-35.1	178.5	73.4	-170.9	-89.9	0	0	113.2	L677 K680 M685 K729 L730 Y737 Y770	L677-Q733 PolarHBondContact O-NE2 3.17Å; L677-Q733 VanDerWaalsContact O-NE2 3.15Å; K680-Q733 HydrophobicContact CD-CB 4.2Å; M685-Q733 VanDerWaalsContact CE-OE1 3.28Å; K729-Q733 VanDerWaalsContact O-CG 3.26Å; K729-Q733 WeakPolarHBondContact O-CG 3.36Å; K729-Q733 PolarHBondContact O-N 3.35Å; K729-Q733 PolarHBondContact O-NE2 3.36Å; L730-Q733 WeakPolarHBondContact O-CG 3.08Å; Q733-Y737 WeakPolarHBondContact O-CB 3.49Å; Q733-Y737 PolarHBondContact O-N 3.25Å; Q733-Y770 HydrophobicContact CG-CE1 3.76Å; Q733-Y770 WeakPolarHBondContact CG-OH 3.38Å; Q733-Y770 PolarHBondContact OE1-OH 2.89Å; Q733-Y770 VanDerWaalsContact OE1-OH 3.08Å
734	I	96.6	Very high	96.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.1	-47.5	173.4	-73.4	171	0	0	0	110.4	L730 D732 Y737 Y738 Y770 L774 I792 I796 L836	L730-I734 HydrophobicContact CD1-CD1 3.71Å; L730-I734 HydrophobicContact CD1-CG1 4.15Å; L730-I734 HydrophobicContact CG-CD1 3.77Å; L730-I734 WeakPolarHBondContact O-CB 3.46Å; L730-I734 WeakPolarHBondContact O-CD1 3.26Å; L730-I734 WeakPolarHBondContact O-CG1 3.4Å; L730-I734 PolarHBondContact O-N 2.91Å; D732-I734 PolarHBondContact O-N 3.08Å; I734-Y737 PolarHBondContact O-N 3.39Å; I734-Y738 HydrophobicContact CG2-CD2 3.78Å; I734-Y738 HydrophobicContact CG2-CE2 3.86Å; I734-Y738 VanDerWaalsContact O-CD2 3.31Å; I734-Y738 WeakPolarHBondContact O-CD2 3.17Å; I734-Y738 PolarHBondContact O-N 3.3Å; I734-Y770 HydrophobicContact CD1-CD1 4.09Å; I734-Y770 HydrophobicContact CD1-CG 4.23Å; I734-Y770 HydrophobicContact CG1-CD1 3.54Å; I734-Y770 HydrophobicContact CG1-CD2 4.05Å; I734-Y770 HydrophobicContact CG1-CE1 4Å; I734-Y770 HydrophobicContact CG1-CE2 4.44Å; I734-Y770 HydrophobicContact CG1-CG 3.58Å; I734-L774 HydrophobicContact CD1-CD2 3.97Å; I734-L774 HydrophobicContact CD1-CG 4.14Å; I734-L774 HydrophobicContact CG2-CD1 4.35Å; I734-I792 HydrophobicContact CD1-CD1 4.15Å; I734-I792 HydrophobicContact CD1-CG2 4.31Å; I734-I796 HydrophobicContact CB-CD1 4.26Å; I734-I796 HydrophobicContact CG2-CD1 3.53Å; I734-L836 HydrophobicContact CG2-CD2 4.38Å
735	F	97.2	Very high	96.4	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.009	13%	0.126	C	C	.	.	H	α-helix	trans	-63.2	-45.8	179.4	-173.8	-105.6	0	0	0	111.8	A731 D732 Y737 Y738 K739 I796 A799 M800 S803 T832 L836 Y910 Y911	A731-F735 WeakPolarHBondContact O-CB 3.46Å; A731-F735 PolarHBondContact O-N 3.48Å; D732-F735 PolarHBondContact O-N 3.07Å; F735-Y737 VanDerWaalsContact C-N 3.34Å; F735-Y737 PolarHBondContact O-N 2.79Å; F735-Y738 PolarHBondContact O-N 2.89Å; F735-K739 WeakPolarHBondContact O-CB 3.42Å; F735-K739 PolarHBondContact O-N 3.34Å; F735-I796 HydrophobicContact CB-CG1 4.46Å; F735-I796 HydrophobicContact CD2-CG2 4.2Å; F735-A799 HydrophobicContact CD1-CB 3.7Å; F735-A799 HydrophobicContact CD2-CB 3.87Å; F735-A799 HydrophobicContact CE1-CB 3.81Å; F735-A799 HydrophobicContact CE2-CB 3.98Å; F735-A799 HydrophobicContact CG-CB 3.73Å; F735-A799 HydrophobicContact CZ-CB 3.95Å; F735-A799 WeakPolarHBondContact CZ-O 3.33Å; F735-M800 HydrophobicContact CE2-CG 3.87Å; F735-M800 HydrophobicContact CE2-SD 3.76Å; F735-M800 HydrophobicContact CZ-SD 4.26Å; F735-S803 WeakPolarHBondContact CE1-OG 3.13Å; F735-S803 VanDerWaalsContact CZ-OG 3.24Å; F735-S803 WeakPolarHBondContact CZ-OG 3.25Å; F735-T832 HydrophobicContact CE2-CG2 4.16Å; F735-L836 HydrophobicContact CD2-CD1 4.11Å; F735-L836 HydrophobicContact CE2-CD1 4.19Å; F735-Y910 AromaticContact CD1-CD2 3.83Å; F735-Y910 HydrophobicContact CD1-CD2 3.83Å; F735-Y910 HydrophobicContact CD1-CE2 4.49Å; F735-Y910 HydrophobicContact CE1-CD2 4.16Å; F735-Y910 WeakPolarHBondContact CE1-O 3.48Å; F735-Y911 HydrophobicContact CE1-CD1 4.3Å
736	A	96.4	Very high	96.3	Very high	23 Å²	23	25 Å²	25	19%	0.19	13%	0.126	C	C	.	.	H	α-helix	trans	-60.9	-40.9	176.5	0	0	0	0	0	112.6	D732 A740 Y910	D732-A736 WeakPolarHBondContact O-CB 3.3Å; D732-A736 PolarHBondContact O-N 2.9Å; A736-A740 VanDerWaalsContact O-CB 3.26Å; A736-A740 WeakPolarHBondContact O-CB 3.19Å; A736-A740 PolarHBondContact O-N 3.03Å; A736-Y910 HydrophobicContact CB-CD1 4.03Å; A736-Y910 HydrophobicContact CB-CG 3.96Å
737	Y	96.3	Very high	96.2	Very high	27 Å²	27	25.1 Å²	25.1	11%	0.106	13%	0.126	C	C	.	.	H	α-helix	trans	-61	-53.9	176	173	-110.5	0	0	0	112.2	Q733 I734 F735 K739 A740 M741 P766 N768 Y770	Q733-Y737 WeakPolarHBondContact O-CB 3.49Å; Q733-Y737 PolarHBondContact O-N 3.25Å; I734-Y737 PolarHBondContact O-N 3.39Å; F735-Y737 VanDerWaalsContact C-N 3.34Å; F735-Y737 PolarHBondContact O-N 2.79Å; Y737-K739 PolarHBondContact O-N 3.37Å; Y737-A740 PolarHBondContact O-N 2.7Å; Y737-M741 HydrophobicContact CE1-CE 3.7Å; Y737-M741 HydrophobicContact CE2-CE 4.06Å; Y737-M741 VanDerWaalsContact CZ-CE 3.42Å; Y737-M741 WeakPolarHBondContact O-CB 3.31Å; Y737-M741 PolarHBondContact O-N 2.73Å; Y737-M741 VanDerWaalsContact OH-CE 3.29Å; Y737-M741 WeakPolarHBondContact OH-CE 3.35Å; Y737-P766 VanDerWaalsContact CE2-O 3.3Å; Y737-P766 WeakPolarHBondContact CE2-O 3.4Å; Y737-N768 HydrophobicContact CD2-CB 4.37Å; Y737-N768 HydrophobicContact CE2-CB 4.02Å; Y737-N768 PolarHBondContact OH-N 3.18Å; Y737-N768 VanDerWaalsContact OH-N 3.15Å; Y737-Y770 AromaticContact CD1-CD2 3.72Å; Y737-Y770 HydrophobicContact CD1-CD2 3.72Å; Y737-Y770 AromaticContact CD1-CE2 3.77Å; Y737-Y770 HydrophobicContact CD1-CE2 3.77Å; Y737-Y770 HydrophobicContact CD2-CE2 4.33Å; Y737-Y770 HydrophobicContact CE1-CD2 4.09Å; Y737-Y770 HydrophobicContact CE1-CE2 4.37Å; Y737-Y770 HydrophobicContact CG-CD2 4.17Å; Y737-Y770 AromaticContact CG-CE2 3.72Å; Y737-Y770 HydrophobicContact CG-CE2 3.72Å
738	Y	96.9	Very high	96.1	Very high	13 Å²	13	29 Å²	29	5%	0.051	15%	0.147	C	C	.	.	H	α-helix	trans	-68.5	-32	-178.9	-75.4	-67.6	0	0	0	113	I734 F735 M741 A742 L774 L835 L836 H839	I734-Y738 HydrophobicContact CG2-CD2 3.78Å; I734-Y738 HydrophobicContact CG2-CE2 3.86Å; I734-Y738 VanDerWaalsContact O-CD2 3.31Å; I734-Y738 WeakPolarHBondContact O-CD2 3.17Å; I734-Y738 PolarHBondContact O-N 3.3Å; F735-Y738 PolarHBondContact O-N 2.89Å; Y738-M741 HydrophobicContact CD1-SD 4.36Å; Y738-M741 PolarHBondContact O-N 3.27Å; Y738-A742 WeakPolarHBondContact O-CB 3.33Å; Y738-A742 PolarHBondContact O-N 3.31Å; Y738-L774 HydrophobicContact CE2-CD1 4.14Å; Y738-L835 HydrophobicContact CD1-CB 3.83Å; Y738-L835 HydrophobicContact CD1-CD1 4.43Å; Y738-L835 HydrophobicContact CE1-CB 4.45Å; Y738-L836 HydrophobicContact CD2-CD2 3.48Å; Y738-L836 VanDerWaalsContact CD2-CD2 3.48Å; Y738-L836 HydrophobicContact CD2-CG 4.44Å; Y738-L836 HydrophobicContact CE2-CD2 4.23Å; Y738-L836 HydrophobicContact CG-CD2 3.9Å; Y738-L836 HydrophobicContact CG-CG 4.41Å; Y738-H839 AromaticContact CZ-CD2 3.99Å; Y738-H839 PolarHBondContact OH-CD2 2.85Å; Y738-H839 PolarHBondContact OH-NE2 3.05Å
739	K	97.5	Very high	96	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.6	-48.1	171.1	-176.9	71.2	69.6	72.5	0	111.7	F735 Y737 M741 A742 G743 S803 I828 N829 T832 Y910 Y911 L912	F735-K739 WeakPolarHBondContact O-CB 3.42Å; F735-K739 PolarHBondContact O-N 3.34Å; Y737-K739 PolarHBondContact O-N 3.37Å; K739-M741 PolarHBondContact O-N 3.29Å; K739-A742 PolarHBondContact O-N 3.41Å; K739-G743 PolarHBondContact O-N 3.48Å; K739-S803 PolarHBondContact NZ-OG 2.88Å; K739-S803 VanDerWaalsContact NZ-OG 3.1Å; K739-I828 HydrophobicContact CD-CG2 3.83Å; K739-N829 WeakPolarHBondContact CE-OD1 3.49Å; K739-N829 PolarHBondContact NZ-OD1 3.2Å; K739-T832 HydrophobicContact CB-CG2 4.21Å; K739-T832 HydrophobicContact CD-CG2 4.34Å; K739-T832 WeakPolarHBondContact CD-OG1 3.42Å; K739-Y910 WeakPolarHBondContact CG-O 3.36Å; K739-Y910 PolarHBondContact NZ-O 2.94Å; K739-Y911 PolarHBondContact NZ-O 2.87Å; K739-L912 VanDerWaalsContact CD-O 3.27Å; K739-L912 WeakPolarHBondContact CD-O 3.44Å; K739-L912 PolarHBondContact NZ-O 2.86Å; K739-L912 VanDerWaalsContact NZ-O 3.16Å
740	A	96.4	Very high	95.9	Very high	12 Å²	12	32.7 Å²	32.7	10%	0.099	16%	0.161	C	C	.	.	H	α-helix	trans	-63.7	-32	177.7	0	0	0	0	0	112.3	A736 Y737 S744 P765 L918	A736-A740 VanDerWaalsContact O-CB 3.26Å; A736-A740 WeakPolarHBondContact O-CB 3.19Å; A736-A740 PolarHBondContact O-N 3.03Å; Y737-A740 PolarHBondContact O-N 2.7Å; A740-S744 VanDerWaalsContact O-CB 3.27Å; A740-S744 WeakPolarHBondContact O-CB 3.41Å; A740-S744 PolarHBondContact O-N 3.28Å; A740-S744 PolarHBondContact O-OG 3.4Å; A740-P765 HydrophobicContact CB-CB 4.31Å; A740-L918 HydrophobicContact CB-CD1 4.42Å
741	M	96	Very high	95.8	Very high	47 Å²	47	34.3 Å²	34.3	23%	0.232	17%	0.168	C	C	.	.	H	α-helix	trans	-64.4	-52.9	170.3	-174.5	-179.4	-68.2	0	0	111.1	Y737 Y738 K739 G743 S744 V745 P765 L835	Y737-M741 HydrophobicContact CE1-CE 3.7Å; Y737-M741 HydrophobicContact CE2-CE 4.06Å; Y737-M741 VanDerWaalsContact CZ-CE 3.42Å; Y737-M741 WeakPolarHBondContact O-CB 3.31Å; Y737-M741 PolarHBondContact O-N 2.73Å; Y737-M741 VanDerWaalsContact OH-CE 3.29Å; Y737-M741 WeakPolarHBondContact OH-CE 3.35Å; Y738-M741 HydrophobicContact CD1-SD 4.36Å; Y738-M741 PolarHBondContact O-N 3.27Å; K739-M741 PolarHBondContact O-N 3.29Å; M741-G743 PolarHBondContact O-N 3.39Å; M741-S744 PolarHBondContact O-N 3.11Å; M741-S744 VanDerWaalsContact O-N 3.08Å; M741-V745 HydrophobicContact CG-CG2 4.3Å; M741-V745 WeakPolarHBondContact O-CB 3.48Å; M741-V745 VanDerWaalsContact O-CG2 3.3Å; M741-V745 WeakPolarHBondContact O-CG2 3.24Å; M741-V745 PolarHBondContact O-N 2.89Å; M741-P765 HydrophobicContact CB-CG 4.43Å; M741-L835 HydrophobicContact CB-CD1 4.3Å; M741-L835 HydrophobicContact CG-CD1 4.05Å; M741-L835 HydrophobicContact SD-CD1 3.98Å; M741-L835 HydrophobicContact SD-CD2 4.39Å
742	A	97	Very high	95.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-56	-48.5	177.5	0	0	0	0	0	112	Y738 K739 S744 V745 L746 I828 L831 T832 L835	Y738-A742 WeakPolarHBondContact O-CB 3.33Å; Y738-A742 PolarHBondContact O-N 3.31Å; K739-A742 PolarHBondContact O-N 3.41Å; A742-S744 VanDerWaalsContact C-N 3.3Å; A742-S744 PolarHBondContact O-N 2.99Å; A742-V745 PolarHBondContact O-N 3.43Å; A742-L746 PolarHBondContact O-N 3.1Å; A742-I828 HydrophobicContact CB-CG2 4.29Å; A742-L831 HydrophobicContact CB-CB 4.04Å; A742-L831 HydrophobicContact CB-CD2 4.02Å; A742-L831 HydrophobicContact CB-CG 3.88Å; A742-T832 VanDerWaalsContact CB-OG1 3.29Å; A742-T832 WeakPolarHBondContact CB-OG1 3.13Å; A742-L835 HydrophobicContact CB-CD1 4.2Å
743	G	96.6	Very high	95.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61	-33.2	175.6	0	0	0	0	0	113.5	K739 M741 L747 Y922	K739-G743 PolarHBondContact O-N 3.48Å; M741-G743 PolarHBondContact O-N 3.39Å; G743-L747 WeakPolarHBondContact O-CB 3.35Å; G743-L747 PolarHBondContact O-N 2.75Å; G743-Y922 WeakPolarHBondContact O-CE2 3.32Å; G743-Y922 PolarHBondContact O-OH 3.04Å
744	S	95.7	Very high	95.5	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-81.2	-30.2	177.2	-59.4	0	0	0	0	113.8	A740 M741 A742 K749 P765	A740-S744 VanDerWaalsContact O-CB 3.27Å; A740-S744 WeakPolarHBondContact O-CB 3.41Å; A740-S744 PolarHBondContact O-N 3.28Å; A740-S744 PolarHBondContact O-OG 3.4Å; M741-S744 PolarHBondContact O-N 3.11Å; M741-S744 VanDerWaalsContact O-N 3.08Å; A742-S744 VanDerWaalsContact C-N 3.3Å; A742-S744 PolarHBondContact O-N 2.99Å; S744-K749 PolarHBondContact O-NZ 3.27Å; S744-P765 WeakPolarHBondContact OG-CD 3.39Å
745	V	95.1	Very high	95.3	Very high	82 Å²	82	39.3 Å²	39.3	50%	0.497	20%	0.198	S	C	.	.	H	α-helix	trans	-68.5	-45.4	175.3	167.8	0	0	0	0	110.4	M741 A742 K749 L831	M741-V745 HydrophobicContact CG-CG2 4.3Å; M741-V745 WeakPolarHBondContact O-CB 3.48Å; M741-V745 VanDerWaalsContact O-CG2 3.3Å; M741-V745 WeakPolarHBondContact O-CG2 3.24Å; M741-V745 PolarHBondContact O-N 2.89Å; A742-V745 PolarHBondContact O-N 3.43Å; V745-K749 PolarHBondContact O-NZ 2.93Å; V745-L831 HydrophobicContact CB-CD2 4.01Å; V745-L831 HydrophobicContact CG1-CD2 3.81Å
746	L	95.4	Very high	95.1	Very high	57 Å²	57	46.1 Å²	46.1	30%	0.298	23%	0.228	S	C	.	.	H	α-helix	trans	-80.8	-16.7	-179.4	-67.7	172.3	0	0	0	114.3	A742 D748 E827 I828 L831 Y922	A742-L746 PolarHBondContact O-N 3.1Å; L746-D748 PolarHBondContact O-N 2.88Å; L746-E827 HydrophobicContact CD1-CG 4.31Å; L746-I828 HydrophobicContact CB-CG1 4.39Å; L746-I828 HydrophobicContact CD1-CB 4.46Å; L746-I828 HydrophobicContact CD1-CG1 3.66Å; L746-L831 HydrophobicContact CD1-CB 4.07Å; L746-L831 HydrophobicContact CD1-CD2 3.77Å; L746-L831 HydrophobicContact CD2-CD2 4.2Å; L746-L831 HydrophobicContact CG-CD2 3.64Å; L746-Y922 VanDerWaalsContact C-OH 3.25Å
747	L	95.1	Very high	95	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	25%	0.254	C	S	.	.	S	Bend	trans	-62.9	131.3	179.8	-178.2	66.5	0	0	0	110.4	G743 K749 F751 I762 L918 A921 Y922 I925	G743-L747 WeakPolarHBondContact O-CB 3.35Å; G743-L747 PolarHBondContact O-N 2.75Å; L747-K749 PolarHBondContact O-N 3.28Å; L747-K749 PolarHBondContact O-NZ 2.88Å; L747-F751 HydrophobicContact CD1-CD1 4.11Å; L747-I762 HydrophobicContact CD2-CD1 3.93Å; L747-I762 HydrophobicContact CD2-CG2 4.15Å; L747-L918 HydrophobicContact CD2-CD2 4.08Å; L747-A921 HydrophobicContact CD1-CB 4.1Å; L747-A921 HydrophobicContact CD2-CB 4.47Å; L747-Y922 VanDerWaalsContact CA-OH 3.31Å; L747-Y922 WeakPolarHBondContact CA-OH 3.44Å; L747-Y922 HydrophobicContact CB-CE2 4.49Å; L747-Y922 HydrophobicContact CD1-CE1 4.22Å; L747-Y922 HydrophobicContact CD1-CE2 4.31Å; L747-Y922 PolarHBondContact N-OH 3.12Å; L747-I925 HydrophobicContact CD1-CD1 3.67Å
748	D	94	Very high	94.8	Very high	84 Å²	84	59.7 Å²	59.7	45%	0.449	29%	0.286	S	S	.	.			trans	-56.1	133.5	-178.4	176.2	52	0	0	0	112.1	L746 R750 F751 R752	L746-D748 PolarHBondContact O-N 2.88Å; D748-R750 WeakPolarHBondContact OD2-CA 3.45Å; D748-R750 WeakPolarHBondContact OD2-CB 3.46Å; D748-R750 PolarHBondContact OD2-N 2.95Å; D748-F751 HydrophobicContact CB-CB 4.05Å; D748-F751 WeakPolarHBondContact OD2-CB 3.37Å; D748-F751 PolarHBondContact OD2-N 2.97Å; D748-R752 WeakPolarHBondContact O-CB 3.32Å; D748-R752 PolarHBondContact O-N 2.64Å; D748-R752 VanDerWaalsContact O-N 3.11Å
749	K	94.1	Very high	94.6	Very high	100 Å²	100	62 Å²	62	44%	0.435	31%	0.313	S	S	.	.	H	α-helix	trans	-78.2	-29.6	-172	-57.4	-66.1	173.5	-93.4	0	111.3	S744 V745 L747 A753	S744-K749 PolarHBondContact O-NZ 3.27Å; V745-K749 PolarHBondContact O-NZ 2.93Å; L747-K749 PolarHBondContact O-N 3.28Å; L747-K749 PolarHBondContact O-NZ 2.88Å; K749-A753 PolarHBondContact O-N 3.34Å; K749-A753 VanDerWaalsContact O-N 3.16Å
750	R	94.6	Very high	94.3	Very high	173 Å²	173	66.1 Å²	66.1	65%	0.653	34%	0.338	S	S	*	.	H	α-helix	trans	-71.2	-48.4	174.3	175.5	-179.3	172.2	171.4	-0.6	110.7	D748 R752 A753 E754	D748-R750 WeakPolarHBondContact OD2-CA 3.45Å; D748-R750 WeakPolarHBondContact OD2-CB 3.46Å; D748-R750 PolarHBondContact OD2-N 2.95Å; R750-R752 VanDerWaalsContact C-N 3.31Å; R750-R752 PolarHBondContact O-N 3.28Å; R750-A753 CarbonylContact O-C 3.57Å; R750-A753 WeakPolarHBondContact O-CA 3.25Å; R750-A753 WeakPolarHBondContact O-CB 3.49Å; R750-A753 PolarHBondContact O-N 2.98Å; R750-E754 HydrophobicContact CG-CG 4.42Å; R750-E754 IonicContact CZ-OE1 3.8Å; R750-E754 IonicContact NE-OE1 2.71Å; R750-E754 PolarHBondContact NE-OE1 3.35Å; R750-E754 IonicContact NH2-OE1 2.65Å; R750-E754 PolarHBondContact NH2-OE1 3.17Å; R750-E754 PolarHBondContact O-N 3.49Å
751	F	93.9	Very high	94	Very high	35 Å²	35	71.8 Å²	71.8	15%	0.154	37%	0.366	C	S	.	.	H	α-helix	trans	-53.4	-47.4	173.8	179.9	-100.4	0	0	0	111.7	L747 D748 A753 E754 C755 I762 A921 H924 I925	L747-F751 HydrophobicContact CD1-CD1 4.11Å; D748-F751 HydrophobicContact CB-CB 4.05Å; D748-F751 WeakPolarHBondContact OD2-CB 3.37Å; D748-F751 PolarHBondContact OD2-N 2.97Å; F751-A753 VanDerWaalsContact C-N 3.3Å; F751-A753 PolarHBondContact O-N 3.26Å; F751-E754 PolarHBondContact O-N 2.85Å; F751-C755 VanDerWaalsContact CE1-SG 3.51Å; F751-C755 WeakPolarHBondContact CZ-SG 3.34Å; F751-C755 WeakPolarHBondContact O-CB 3.4Å; F751-C755 PolarHBondContact O-N 3.29Å; F751-C755 PolarHBondContact O-SG 3.41Å; F751-I762 HydrophobicContact CD1-CD1 4.32Å; F751-I762 HydrophobicContact CE1-CD1 3.89Å; F751-A921 HydrophobicContact CE1-CB 3.84Å; F751-H924 AromaticContact CE2-CD2 3.88Å; F751-I925 HydrophobicContact CD1-CD1 3.93Å; F751-I925 HydrophobicContact CD1-CG1 4.37Å; F751-I925 HydrophobicContact CD2-CG1 4.23Å; F751-I925 HydrophobicContact CE1-CD1 4.17Å; F751-I925 HydrophobicContact CE1-CG1 4.37Å; F751-I925 HydrophobicContact CE2-CG1 4.23Å; F751-I925 HydrophobicContact CG-CD1 4.13Å; F751-I925 HydrophobicContact CG-CG1 4.29Å; F751-I925 HydrophobicContact CZ-CG1 4.29Å
752	R	93.6	Very high	93.8	Very high	24 Å²	24	70.2 Å²	70.2	9%	0.091	36%	0.358	C	S	.	.	H	α-helix	trans	-59.7	-36.1	175.5	179.1	176.9	-86.3	-93.5	-3.8	113.1	D748 R750 K756 I762 P763 Y764	D748-R752 WeakPolarHBondContact O-CB 3.32Å; D748-R752 PolarHBondContact O-N 2.64Å; D748-R752 VanDerWaalsContact O-N 3.11Å; R750-R752 VanDerWaalsContact C-N 3.31Å; R750-R752 PolarHBondContact O-N 3.28Å; R752-K756 PolarHBondContact O-N 2.9Å; R752-I762 PolarHBondContact NH1-O 3.28Å; R752-P763 PolarHBondContact NH1-O 3.42Å; R752-P763 PolarHBondContact NH2-O 3.28Å; R752-Y764 WeakPolarHBondContact CD-OH 3.35Å; R752-Y764 VanDerWaalsContact NH1-CD2 3.26Å
753	A	93.5	Very high	93.4	Very high	49 Å²	49	73.7 Å²	73.7	41%	0.405	38%	0.38	S	S	.	.	H	α-helix	trans	-73.1	-41.4	175.1	0	0	0	0	0	112.3	K749 R750 F751 K756 N757	K749-A753 PolarHBondContact O-N 3.34Å; K749-A753 VanDerWaalsContact O-N 3.16Å; R750-A753 CarbonylContact O-C 3.57Å; R750-A753 WeakPolarHBondContact O-CA 3.25Å; R750-A753 WeakPolarHBondContact O-CB 3.49Å; R750-A753 PolarHBondContact O-N 2.98Å; F751-A753 VanDerWaalsContact C-N 3.3Å; F751-A753 PolarHBondContact O-N 3.26Å; A753-K756 WeakPolarHBondContact O-CB 3.48Å; A753-K756 PolarHBondContact O-N 2.79Å; A753-N757 VanDerWaalsContact O-CG 3.27Å; A753-N757 PolarHBondContact O-N 3.44Å; A753-N757 PolarHBondContact O-OD1 2.91Å
754	E	93.9	Very high	93	Very high	76 Å²	76	79.9 Å²	79.9	36%	0.355	41%	0.405	S	S	.	.	H	α-helix	trans	-63.1	-45.4	175.5	-71.2	177.2	-179.5	0	0	111	R750 F751 K756 N757 Y758	R750-E754 HydrophobicContact CG-CG 4.42Å; R750-E754 IonicContact CZ-OE1 3.8Å; R750-E754 IonicContact NE-OE1 2.71Å; R750-E754 PolarHBondContact NE-OE1 3.35Å; R750-E754 IonicContact NH2-OE1 2.65Å; R750-E754 PolarHBondContact NH2-OE1 3.17Å; R750-E754 PolarHBondContact O-N 3.49Å; F751-E754 PolarHBondContact O-N 2.85Å; E754-K756 VanDerWaalsContact C-N 3.32Å; E754-K756 PolarHBondContact O-N 3.13Å; E754-N757 WeakPolarHBondContact O-CB 3.31Å; E754-N757 PolarHBondContact O-N 2.97Å; E754-Y758 WeakPolarHBondContact O-CD2 3.36Å; E754-Y758 PolarHBondContact O-N 2.93Å; E754-Y758 VanDerWaalsContact O-N 3.09Å
755	C	92.3	Very high	92.7	Very high	17 Å²	17	81.4 Å²	81.4	12%	0.115	41%	0.414	C	S	.	.	H	α-helix	trans	-55.4	-44.5	172.4	-68.7	0	0	0	0	112.4	F751 N757 Y758 G759 V760 I762	F751-C755 VanDerWaalsContact CE1-SG 3.51Å; F751-C755 WeakPolarHBondContact CZ-SG 3.34Å; F751-C755 WeakPolarHBondContact O-CB 3.4Å; F751-C755 PolarHBondContact O-N 3.29Å; F751-C755 PolarHBondContact O-SG 3.41Å; C755-N757 VanDerWaalsContact C-N 3.29Å; C755-N757 PolarHBondContact O-N 2.99Å; C755-Y758 CarbonylContact O-C 3.57Å; C755-Y758 PolarHBondContact O-N 3.45Å; C755-Y758 VanDerWaalsContact O-N 3.12Å; C755-G759 PolarHBondContact O-N 3.35Å; C755-V760 CarbonylContact C-O 3.36Å; C755-V760 HydrophobicContact CB-CB 4.19Å; C755-V760 WeakPolarHBondContact CB-O 3.41Å; C755-V760 CarbonylContact O-C 3.57Å; C755-V760 WeakPolarHBondContact O-CA 3.47Å; C755-V760 PolarHBondContact O-N 2.86Å; C755-I762 HydrophobicContact CB-CD1 4.3Å
756	K	92.5	Very high	92.5	Very high	145 Å²	145	82.3 Å²	82.3	63%	0.63	42%	0.422	S	S	*	.	H	α-helix	trans	-60.3	-38.8	176.2	-174.4	-176.1	176.6	-174.5	0	111.8	R752 A753 E754 Y758 G759 V760	R752-K756 PolarHBondContact O-N 2.9Å; A753-K756 WeakPolarHBondContact O-CB 3.48Å; A753-K756 PolarHBondContact O-N 2.79Å; E754-K756 VanDerWaalsContact C-N 3.32Å; E754-K756 PolarHBondContact O-N 3.13Å; K756-Y758 VanDerWaalsContact C-N 3.3Å; K756-Y758 PolarHBondContact O-N 3.1Å; K756-G759 PolarHBondContact O-N 2.61Å; K756-V760 PolarHBondContact N-O 3.37Å
757	N	94.2	Very high	92.3	Very high	138 Å²	138	84 Å²	84	74%	0.738	44%	0.438	S	S	*	.	H	α-helix	trans	-66.9	-30.3	176.8	-64	-16.3	0	0	0	112.5	A753 E754 C755 G759	A753-N757 VanDerWaalsContact O-CG 3.27Å; A753-N757 PolarHBondContact O-N 3.44Å; A753-N757 PolarHBondContact O-OD1 2.91Å; E754-N757 WeakPolarHBondContact O-CB 3.31Å; E754-N757 PolarHBondContact O-N 2.97Å; C755-N757 VanDerWaalsContact C-N 3.29Å; C755-N757 PolarHBondContact O-N 2.99Å; N757-G759 VanDerWaalsContact C-N 3.27Å; N757-G759 PolarHBondContact O-N 3.21Å
758	Y	92.9	Very high	92.1	Very high	198 Å²	198	84.6 Å²	84.6	78%	0.776	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	8.9	170.4	-67.4	-68.6	0	0	0	114	E754 C755 K756 V760	E754-Y758 WeakPolarHBondContact O-CD2 3.36Å; E754-Y758 PolarHBondContact O-N 2.93Å; E754-Y758 VanDerWaalsContact O-N 3.09Å; C755-Y758 CarbonylContact O-C 3.57Å; C755-Y758 PolarHBondContact O-N 3.45Å; C755-Y758 VanDerWaalsContact O-N 3.12Å; K756-Y758 VanDerWaalsContact C-N 3.3Å; K756-Y758 PolarHBondContact O-N 3.1Å; Y758-V760 VanDerWaalsContact C-N 3.28Å; Y758-V760 PolarHBondContact O-N 3.34Å
759	G	91.9	Very high	92	Very high	61 Å²	61	85.9 Å²	85.9	63%	0.629	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	2	-179.1	0	0	0	0	0	115.3	C755 K756 N757 I761	C755-G759 PolarHBondContact O-N 3.35Å; K756-G759 PolarHBondContact O-N 2.61Å; N757-G759 VanDerWaalsContact C-N 3.27Å; N757-G759 PolarHBondContact O-N 3.21Å; G759-I761 PolarHBondContact O-N 3.49Å
760	V	91.2	Very high	92	Very high	86 Å²	86	81.4 Å²	81.4	52%	0.521	42%	0.421	S	S	.	.			trans	-90.8	93.2	178.7	-177.2	0	0	0	0	109.7	C755 K756 Y758 I762	C755-V760 CarbonylContact C-O 3.36Å; C755-V760 HydrophobicContact CB-CB 4.19Å; C755-V760 WeakPolarHBondContact CB-O 3.41Å; C755-V760 CarbonylContact O-C 3.57Å; C755-V760 WeakPolarHBondContact O-CA 3.47Å; C755-V760 PolarHBondContact O-N 2.86Å; K756-V760 PolarHBondContact N-O 3.37Å; Y758-V760 VanDerWaalsContact C-N 3.28Å; Y758-V760 PolarHBondContact O-N 3.34Å; V760-I762 PolarHBondContact O-N 3.27Å
761	I	89.9	Confident	91.8	Very high	132 Å²	132	77.2 Å²	77.2	68%	0.677	41%	0.409	S	S	*	.			trans	-80.8	106.3	176.2	-56.9	176.7	0	0	0	109.5	G759 P763	G759-I761 PolarHBondContact O-N 3.49Å; I761-P763 WeakPolarHBondContact O-CD 3.3Å
762	I	91.5	Very high	91.5	Very high	14 Å²	14	75.9 Å²	75.9	7%	0.072	40%	0.404	C	S	.	.			trans	-78.4	115.1	163.5	-51.4	172.6	0	0	0	106.4	L747 F751 R752 C755 V760 P917 L918 A921	L747-I762 HydrophobicContact CD2-CD1 3.93Å; L747-I762 HydrophobicContact CD2-CG2 4.15Å; F751-I762 HydrophobicContact CD1-CD1 4.32Å; F751-I762 HydrophobicContact CE1-CD1 3.89Å; R752-I762 PolarHBondContact NH1-O 3.28Å; C755-I762 HydrophobicContact CB-CD1 4.3Å; V760-I762 PolarHBondContact O-N 3.27Å; I762-P917 HydrophobicContact CG2-CB 4.33Å; I762-L918 HydrophobicContact CG2-CD2 4.29Å; I762-A921 HydrophobicContact CD1-CB 3.91Å
763	P	88.4	Confident	91.4	Very high	72 Å²	72	74.8 Å²	74.8	47%	0.468	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-68.1	162	179.5	27.5	-33.9	0	0	0	111.8	R752 I761	R752-P763 PolarHBondContact NH1-O 3.42Å; R752-P763 PolarHBondContact NH2-O 3.28Å; I761-P763 WeakPolarHBondContact O-CD 3.3Å
764	Y	90	Very high	91.4	Very high	131 Å²	131	72.5 Å²	72.5	51%	0.514	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-89.6	150.2	155.6	-76	-82.5	0	0	0	108	R752	R752-Y764 WeakPolarHBondContact CD-OH 3.35Å; R752-Y764 VanDerWaalsContact NH1-CD2 3.26Å
765	P	89	Confident	91.3	Very high	34 Å²	34	74.3 Å²	74.3	22%	0.221	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-61.6	135.7	171	26.7	-33.9	0	0	0	109.6	A740 M741 S744 S767	A740-P765 HydrophobicContact CB-CB 4.31Å; M741-P765 HydrophobicContact CB-CG 4.43Å; S744-P765 WeakPolarHBondContact OG-CD 3.39Å; P765-S767 PolarHBondContact O-N 3.49Å
766	P	89.9	Confident	91.1	Very high	101 Å²	101	74.5 Å²	74.5	66%	0.656	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-64.5	135.4	175.2	27.8	-33.8	0	0	0	109.6	Y737	Y737-P766 VanDerWaalsContact CE2-O 3.3Å; Y737-P766 WeakPolarHBondContact CE2-O 3.4Å
767	S	91.2	Very high	90.9	Very high	92 Å²	92	73.9 Å²	73.9	64%	0.643	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-60.2	139.5	178.5	-169.5	0	0	0	0	110.7	P682 P765	P682-S767 VanDerWaalsContact CB-O 3.3Å; P682-S767 WeakPolarHBondContact CB-O 3.38Å; P682-S767 VanDerWaalsContact CG-O 3.22Å; P682-S767 WeakPolarHBondContact CG-O 3.45Å; P765-S767 PolarHBondContact O-N 3.49Å
768	N	92.2	Very high	90.5	Very high	15 Å²	15	71 Å²	71	8%	0.08	36%	0.362	C	S	.	.			trans	-138.6	157.2	-176.5	-151.6	-43.9	0	0	0	111.6	K680 P682 Y737 Y770	K680-N768 PolarHBondContact O-ND2 2.94Å; P682-N768 HydrophobicContact CG-CB 4.48Å; Y737-N768 HydrophobicContact CD2-CB 4.37Å; Y737-N768 HydrophobicContact CE2-CB 4.02Å; Y737-N768 PolarHBondContact OH-N 3.18Å; Y737-N768 VanDerWaalsContact OH-N 3.15Å; N768-Y770 HydrophobicContact CB-CD2 3.99Å; N768-Y770 HydrophobicContact CB-CE2 3.57Å; N768-Y770 PolarHBondContact ND2-OH 2.66Å
769	R	91.4	Very high	90.2	Very high	111 Å²	111	62.4 Å²	62.4	42%	0.419	33%	0.33	S	S	.	.			trans	-107.2	42.1	-164.7	-63.1	-65.3	-63.5	-151.7	-12.7	113.6	M685 E686 E771 T772	M685-R769 HydrophobicContact CB-CB 4.49Å; E686-R769 HydrophobicContact CG-CB 3.69Å; E686-R769 HydrophobicContact CG-CG 4.47Å; E686-R769 IonicContact OE1-CZ 3.5Å; E686-R769 IonicContact OE1-NE 2.79Å; E686-R769 PolarHBondContact OE1-NE 3.23Å; E686-R769 IonicContact OE1-NH2 3.37Å; E686-R769 PolarHBondContact OE1-NH2 3.48Å; R769-E771 PolarHBondContact O-N 3.34Å; R769-T772 PolarHBondContact O-OG1 3.08Å
770	Y	93.2	Very high	90	Very high	6 Å²	6	61.9 Å²	61.9	2%	0.024	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-13.2	178.7	-57.7	-64.9	0	0	0	114.9	M685 L730 Q733 I734 Y737 N768 T772 L773 L774	M685-Y770 HydrophobicContact CE-CD1 4.47Å; M685-Y770 HydrophobicContact CE-CE1 3.72Å; M685-Y770 HydrophobicContact CG-CD1 3.65Å; M685-Y770 HydrophobicContact CG-CE1 3.84Å; M685-Y770 HydrophobicContact SD-CD1 3.82Å; M685-Y770 HydrophobicContact SD-CE1 3.62Å; L730-Y770 HydrophobicContact CD1-CD1 3.98Å; L730-Y770 HydrophobicContact CD1-CE1 4.18Å; Q733-Y770 HydrophobicContact CG-CE1 3.76Å; Q733-Y770 WeakPolarHBondContact CG-OH 3.38Å; Q733-Y770 PolarHBondContact OE1-OH 2.89Å; Q733-Y770 VanDerWaalsContact OE1-OH 3.08Å; I734-Y770 HydrophobicContact CD1-CD1 4.09Å; I734-Y770 HydrophobicContact CD1-CG 4.23Å; I734-Y770 HydrophobicContact CG1-CD1 3.54Å; I734-Y770 HydrophobicContact CG1-CD2 4.05Å; I734-Y770 HydrophobicContact CG1-CE1 4Å; I734-Y770 HydrophobicContact CG1-CE2 4.44Å; I734-Y770 HydrophobicContact CG1-CG 3.58Å; Y737-Y770 AromaticContact CD1-CD2 3.72Å; Y737-Y770 HydrophobicContact CD1-CD2 3.72Å; Y737-Y770 AromaticContact CD1-CE2 3.77Å; Y737-Y770 HydrophobicContact CD1-CE2 3.77Å; Y737-Y770 HydrophobicContact CD2-CE2 4.33Å; Y737-Y770 HydrophobicContact CE1-CD2 4.09Å; Y737-Y770 HydrophobicContact CE1-CE2 4.37Å; Y737-Y770 HydrophobicContact CG-CD2 4.17Å; Y737-Y770 AromaticContact CG-CE2 3.72Å; Y737-Y770 HydrophobicContact CG-CE2 3.72Å; N768-Y770 HydrophobicContact CB-CD2 3.99Å; N768-Y770 HydrophobicContact CB-CE2 3.57Å; N768-Y770 PolarHBondContact ND2-OH 2.66Å; Y770-T772 VanDerWaalsContact C-N 3.31Å; Y770-T772 PolarHBondContact O-N 2.93Å; Y770-L773 PolarHBondContact O-N 3.22Å; Y770-L774 WeakPolarHBondContact O-CB 3.22Å; Y770-L774 WeakPolarHBondContact O-CG 3.36Å; Y770-L774 PolarHBondContact O-N 3.36Å
771	E	90.7	Very high	89.9	Confident	84 Å²	84	58.1 Å²	58.1	39%	0.393	29%	0.288	S	S	.	.	H	α-helix	trans	-60.5	-37.6	-173.2	-62.1	-165.9	-170	0	0	113.8	R769 L774 K775 H839	R769-E771 PolarHBondContact O-N 3.34Å; E771-L774 PolarHBondContact O-N 2.93Å; E771-K775 WeakPolarHBondContact O-CB 3.48Å; E771-K775 WeakPolarHBondContact O-CD 3.48Å; E771-K775 WeakPolarHBondContact O-CG 3.29Å; E771-K775 PolarHBondContact O-N 2.95Å; E771-K775 IonicContact OE2-NZ 2.69Å; E771-K775 PolarHBondContact OE2-NZ 3.01Å; E771-H839 IonicContact OE1-CE1 3.65Å
772	T	89.1	Confident	89.9	Confident	8 Å²	8	52.6 Å²	52.6	5%	0.049	26%	0.26	C	S	.	.	H	α-helix	trans	-67.7	-38.4	179.8	50.5	0	0	0	0	111.6	I29 E686 R769 Y770 K775 Q776	I29-T772 HydrophobicContact CD1-CG2 3.86Å; E686-T772 HydrophobicContact CG-CG2 4.1Å; R769-T772 PolarHBondContact O-OG1 3.08Å; Y770-T772 VanDerWaalsContact C-N 3.31Å; Y770-T772 PolarHBondContact O-N 2.93Å; T772-K775 PolarHBondContact O-N 3.45Å; T772-Q776 WeakPolarHBondContact O-CG 3.34Å; T772-Q776 PolarHBondContact O-NE2 3.33Å
773	L	91.5	Very high	89.6	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-69.8	-42.4	174.3	-57.8	179.9	0	0	0	111.6	M685 V688 L689 L730 Y770 K775 Q776	M685-L773 HydrophobicContact CG-CD1 3.87Å; M685-L773 HydrophobicContact SD-CD1 3.68Å; V688-L773 HydrophobicContact CG1-CD1 3.76Å; V688-L773 HydrophobicContact CG1-CD2 3.78Å; V688-L773 HydrophobicContact CG1-CG 4.42Å; L689-L773 HydrophobicContact CD1-CD2 3.69Å; L689-L773 HydrophobicContact CD2-CD2 4.38Å; L689-L773 HydrophobicContact CG-CD2 3.76Å; L730-L773 HydrophobicContact CD1-CD1 3.69Å; L730-L773 HydrophobicContact CD2-CB 4.34Å; L730-L773 HydrophobicContact CD2-CD1 3.97Å; Y770-L773 PolarHBondContact O-N 3.22Å; L773-K775 PolarHBondContact O-N 3.33Å; L773-Q776 WeakPolarHBondContact O-CB 3.31Å; L773-Q776 WeakPolarHBondContact O-CG 3.43Å; L773-Q776 PolarHBondContact O-N 3Å; L773-Q776 VanDerWaalsContact O-N 3.11Å
774	L	92.7	Very high	89.5	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-64.9	-24.9	175.2	-73	170.7	0	0	0	112.8	I734 Y738 Y770 E771 Q776 N789 I792 H839 M840	I734-L774 HydrophobicContact CD1-CD2 3.97Å; I734-L774 HydrophobicContact CD1-CG 4.14Å; I734-L774 HydrophobicContact CG2-CD1 4.35Å; Y738-L774 HydrophobicContact CE2-CD1 4.14Å; Y770-L774 WeakPolarHBondContact O-CB 3.22Å; Y770-L774 WeakPolarHBondContact O-CG 3.36Å; Y770-L774 PolarHBondContact O-N 3.36Å; E771-L774 PolarHBondContact O-N 2.93Å; L774-Q776 VanDerWaalsContact C-N 3.34Å; L774-N789 WeakPolarHBondContact O-CB 3.26Å; L774-N789 PolarHBondContact O-ND2 3.04Å; L774-I792 HydrophobicContact CD2-CB 4.5Å; L774-I792 HydrophobicContact CD2-CD1 4.14Å; L774-I792 HydrophobicContact CD2-CG2 3.78Å; L774-H839 HydrophobicContact CB-CB 4.03Å; L774-H839 HydrophobicContact CD1-CB 3.82Å; L774-H839 HydrophobicContact CG-CB 4.45Å; L774-M840 HydrophobicContact CD1-CE 4.33Å; L774-M840 HydrophobicContact CD2-CE 3.8Å
775	K	91.2	Very high	89.5	Confident	114 Å²	114	54.6 Å²	54.6	50%	0.496	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-11	174.3	-73.8	163.2	-171.1	165.7	0	113.7	E771 T772 L773 R777	E771-K775 WeakPolarHBondContact O-CB 3.48Å; E771-K775 WeakPolarHBondContact O-CD 3.48Å; E771-K775 WeakPolarHBondContact O-CG 3.29Å; E771-K775 PolarHBondContact O-N 2.95Å; E771-K775 IonicContact OE2-NZ 2.69Å; E771-K775 PolarHBondContact OE2-NZ 3.01Å; T772-K775 PolarHBondContact O-N 3.45Å; L773-K775 PolarHBondContact O-N 3.33Å; K775-R777 WeakPolarHBondContact O-CG 3.43Å; K775-R777 PolarHBondContact O-N 2.96Å
776	Q	88.6	Confident	89.4	Confident	22 Å²	22	54.6 Å²	54.6	10%	0.103	29%	0.287	C	S	.	.			trans	-71.8	116.4	-175.9	-62.9	-54.6	-48.2	0	0	112.9	L689 T772 L773 L774 V779 L788 N789	L689-Q776 HydrophobicContact CD1-CG 3.78Å; T772-Q776 WeakPolarHBondContact O-CG 3.34Å; T772-Q776 PolarHBondContact O-NE2 3.33Å; L773-Q776 WeakPolarHBondContact O-CB 3.31Å; L773-Q776 WeakPolarHBondContact O-CG 3.43Å; L773-Q776 PolarHBondContact O-N 3Å; L773-Q776 VanDerWaalsContact O-N 3.11Å; L774-Q776 VanDerWaalsContact C-N 3.34Å; Q776-V779 HydrophobicContact CB-CG2 3.85Å; Q776-V779 HydrophobicContact CG-CG2 4.25Å; Q776-L788 HydrophobicContact CB-CB 4.02Å; Q776-L788 HydrophobicContact CB-CD2 4.18Å; Q776-L788 HydrophobicContact CG-CD2 4.43Å; Q776-L788 PolarHBondContact O-N 3.01Å; Q776-N789 PolarHBondContact O-N 2.91Å
777	R	88.8	Confident	89.5	Confident	132 Å²	132	51.6 Å²	51.6	50%	0.498	27%	0.266	S	S	.	.	S	Bend	trans	-108.9	-12.8	179.7	-52.3	-49.8	-58	-79	-6.6	114.5	K775 D787	K775-R777 WeakPolarHBondContact O-CG 3.43Å; K775-R777 PolarHBondContact O-N 2.96Å; R777-D787 IonicContact CZ-OD1 3.69Å; R777-D787 IonicContact CZ-OD2 3.21Å; R777-D787 IonicContact NE-OD1 2.72Å; R777-D787 PolarHBondContact NE-OD1 3.29Å; R777-D787 IonicContact NE-OD2 3.55Å; R777-D787 PolarHBondContact NE-OD2 3.46Å; R777-D787 IonicContact NH2-OD1 2.75Å; R777-D787 IonicContact NH2-OD2 2.78Å; R777-D787 PolarHBondContact NH2-OD2 3.23Å; R777-D787 VanDerWaalsContact O-CA 3.3Å; R777-D787 WeakPolarHBondContact O-CA 3.35Å; R777-D787 WeakPolarHBondContact O-CB 3.34Å
778	H	86.1	Confident	89.6	Confident	77 Å²	77	47.2 Å²	47.2	36%	0.356	24%	0.235	S	C	.	.			trans	-156.6	60.3	-173.8	48.9	69.3	0	0	0	112.2	E30 Q780 S785 I786	E30-H778 IonicContact OE1-CE1 3.21Å; E30-H778 PolarHBondContact OE1-CE1 2.77Å; E30-H778 VanDerWaalsContact OE1-CE1 3.31Å; E30-H778 IonicContact OE1-NE2 3.64Å; H778-Q780 PolarHBondContact O-N 2.61Å; H778-Q780 PolarHBondContact O-NE2 2.71Å; H778-S785 WeakPolarHBondContact CB-OG 3.31Å; H778-I786 WeakPolarHBondContact CA-O 3.3Å; H778-I786 PolarHBondContact N-O 3.19Å
779	V	86.4	Confident	89.7	Confident	18 Å²	18	47.2 Å²	47.2	11%	0.109	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	121.1	171.8	-177	0	0	0	0	108.2	Q776 I786 L788	Q776-V779 HydrophobicContact CB-CG2 3.85Å; Q776-V779 HydrophobicContact CG-CG2 4.25Å; V779-I786 HydrophobicContact CB-CB 4.41Å; V779-I786 PolarHBondContact N-O 3.37Å; V779-I786 PolarHBondContact O-N 2.98Å; V779-L788 HydrophobicContact CG2-CB 4.09Å; V779-L788 HydrophobicContact CG2-CD2 4.41Å
780	Q	86.8	Confident	89.9	Confident	50 Å²	50	49.3 Å²	49.3	23%	0.234	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	111.3	178.9	-59.5	-54.9	-59.6	0	0	109.3	P31 N696 H778 R784 S785	P31-Q780 HydrophobicContact CG-CB 4.03Å; P31-Q780 HydrophobicContact CG-CG 4.09Å; N696-Q780 PolarHBondContact ND2-O 3.34Å; H778-Q780 PolarHBondContact O-N 2.61Å; H778-Q780 PolarHBondContact O-NE2 2.71Å; Q780-R784 WeakPolarHBondContact CA-O 3.43Å; Q780-S785 PolarHBondContact NE2-OG 2.91Å
781	L	88.8	Confident	90	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	122.2	-178.4	-169.1	60.6	0	0	0	110.9	N696 V719 F723 G783 R784 I786	N696-L781 WeakPolarHBondContact OD1-CA 3.46Å; V719-L781 HydrophobicContact CG1-CD2 3.71Å; V719-L781 HydrophobicContact CG1-CG 4.02Å; F723-L781 HydrophobicContact CD2-CD2 3.83Å; F723-L781 HydrophobicContact CE2-CD2 4.28Å; L781-G783 PolarHBondContact O-N 2.94Å; L781-R784 PolarHBondContact N-O 3.05Å; L781-R784 WeakPolarHBondContact O-CB 3.49Å; L781-R784 PolarHBondContact O-N 3.05Å; L781-I786 HydrophobicContact CB-CD1 4.08Å; L781-I786 HydrophobicContact CD2-CD1 4.38Å
782	L	90.4	Very high	90.3	Very high	17 Å²	17	46.9 Å²	46.9	9%	0.089	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	40.9	-173.4	-53.8	-173.3	0	0	0	113	N696 A699 I715 E716 V719 R784	N696-L782 PolarHBondContact OD1-N 3.43Å; A699-L782 HydrophobicContact CB-CD2 3.44Å; A699-L782 VanDerWaalsContact CB-CD2 3.44Å; I715-L782 HydrophobicContact CG2-CD1 4.46Å; I715-L782 HydrophobicContact CG2-CD2 4.05Å; E716-L782 HydrophobicContact CB-CD1 4.02Å; E716-L782 HydrophobicContact CG-CD1 4.17Å; V719-L782 HydrophobicContact CB-CD1 3.74Å; V719-L782 HydrophobicContact CG1-CD1 3.85Å; V719-L782 HydrophobicContact CG1-CG 4.28Å; V719-L782 HydrophobicContact CG2-CD1 3.85Å; V719-L782 HydrophobicContact CG2-CG 4.29Å; L782-R784 WeakPolarHBondContact O-CD 3.46Å; L782-R784 PolarHBondContact O-N 2.92Å; L782-R784 PolarHBondContact O-NH1 3.28Å
783	G	85.4	Confident	90.7	Very high	68 Å²	68	47.4 Å²	47.4	70%	0.701	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.5	-0.3	-176.8	0	0	0	0	0	115.7	L781	L781-G783 PolarHBondContact O-N 2.94Å
784	R	87.2	Confident	90.9	Very high	112 Å²	112	51.9 Å²	51.9	42%	0.423	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	146.7	171.9	-69.1	70.2	166.3	-174.1	-4.4	110.1	Y712 E716 Q780 L781 L782 I786	Y712-R784 PolarHBondContact OH-NH1 3.37Å; E716-R784 IonicContact OE1-CZ 2.81Å; E716-R784 IonicContact OE1-NH1 2.67Å; E716-R784 PolarHBondContact OE1-NH1 2.66Å; E716-R784 IonicContact OE1-NH2 2.78Å; E716-R784 PolarHBondContact OE1-NH2 2.85Å; E716-R784 IonicContact OE2-NH2 3.69Å; Q780-R784 WeakPolarHBondContact CA-O 3.43Å; L781-R784 PolarHBondContact N-O 3.05Å; L781-R784 WeakPolarHBondContact O-CB 3.49Å; L781-R784 PolarHBondContact O-N 3.05Å; L782-R784 WeakPolarHBondContact O-CD 3.46Å; L782-R784 PolarHBondContact O-N 2.92Å; L782-R784 PolarHBondContact O-NH1 3.28Å; R784-I786 HydrophobicContact CB-CG1 4.09Å
785	S	88.5	Confident	91.1	Very high	78 Å²	78	55.9 Å²	55.9	55%	0.545	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	107.7	168.2	-176.7	0	0	0	0	109	H778 Q780	H778-S785 WeakPolarHBondContact CB-OG 3.31Å; Q780-S785 PolarHBondContact NE2-OG 2.91Å
786	I	87.6	Confident	91.4	Very high	34 Å²	34	50.5 Å²	50.5	17%	0.174	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	121.6	-171.2	-50	175.4	0	0	0	111.1	F723 H778 V779 L781 R784 L788 L791	F723-I786 HydrophobicContact CD1-CD1 4.44Å; F723-I786 HydrophobicContact CE1-CD1 3.99Å; F723-I786 HydrophobicContact CE1-CG2 3.81Å; F723-I786 HydrophobicContact CE2-CD1 4.17Å; F723-I786 HydrophobicContact CZ-CB 4.4Å; F723-I786 HydrophobicContact CZ-CD1 3.85Å; F723-I786 HydrophobicContact CZ-CG2 3.71Å; H778-I786 WeakPolarHBondContact CA-O 3.3Å; H778-I786 PolarHBondContact N-O 3.19Å; V779-I786 HydrophobicContact CB-CB 4.41Å; V779-I786 PolarHBondContact N-O 3.37Å; V779-I786 PolarHBondContact O-N 2.98Å; L781-I786 HydrophobicContact CB-CD1 4.08Å; L781-I786 HydrophobicContact CD2-CD1 4.38Å; R784-I786 HydrophobicContact CB-CG1 4.09Å; I786-L788 PolarHBondContact O-N 3.23Å; I786-L788 VanDerWaalsContact O-N 3.1Å; I786-L791 HydrophobicContact CG2-CD1 3.6Å
787	D	92.2	Very high	91.8	Very high	39 Å²	39	50.3 Å²	50.3	21%	0.209	25%	0.25	C	C	.	.			trans	-80.2	86.5	171.2	-169.4	-13.5	0	0	0	110.3	R777 N789 R790 L791	R777-D787 IonicContact CZ-OD1 3.69Å; R777-D787 IonicContact CZ-OD2 3.21Å; R777-D787 IonicContact NE-OD1 2.72Å; R777-D787 PolarHBondContact NE-OD1 3.29Å; R777-D787 IonicContact NE-OD2 3.55Å; R777-D787 PolarHBondContact NE-OD2 3.46Å; R777-D787 IonicContact NH2-OD1 2.75Å; R777-D787 IonicContact NH2-OD2 2.78Å; R777-D787 PolarHBondContact NH2-OD2 3.23Å; R777-D787 VanDerWaalsContact O-CA 3.3Å; R777-D787 WeakPolarHBondContact O-CA 3.35Å; R777-D787 WeakPolarHBondContact O-CB 3.34Å; D787-N789 VanDerWaalsContact C-N 3.32Å; D787-N789 PolarHBondContact O-N 2.94Å; D787-N789 WeakPolarHBondContact OD1-CB 3.32Å; D787-N789 PolarHBondContact OD1-N 2.99Å; D787-R790 HydrophobicContact CB-CB 3.89Å; D787-R790 VanDerWaalsContact CG-CB 3.46Å; D787-R790 WeakPolarHBondContact O-CB 3.49Å; D787-R790 PolarHBondContact O-N 3.23Å; D787-R790 PolarHBondContact OD1-N 3.13Å; D787-L791 PolarHBondContact O-N 3.02Å; D787-L791 VanDerWaalsContact O-N 3.13Å
788	L	92.9	Very high	92.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-37.9	179.8	178.6	60.3	0	0	0	111.6	L689 F723 F726 V727 L730 Q776 V779 I786 R790 L791 I792	L689-L788 HydrophobicContact CD2-CD2 4.45Å; F723-L788 HydrophobicContact CZ-CD1 4.41Å; F726-L788 HydrophobicContact CD1-CD1 4.41Å; F726-L788 HydrophobicContact CE1-CD1 3.81Å; F726-L788 HydrophobicContact CE1-CD2 3.9Å; F726-L788 HydrophobicContact CZ-CD2 4.3Å; V727-L788 HydrophobicContact CG2-CD1 4.09Å; L730-L788 HydrophobicContact CD2-CD1 4.48Å; L730-L788 HydrophobicContact CD2-CD2 4.28Å; Q776-L788 HydrophobicContact CB-CB 4.02Å; Q776-L788 HydrophobicContact CB-CD2 4.18Å; Q776-L788 HydrophobicContact CG-CD2 4.43Å; Q776-L788 PolarHBondContact O-N 3.01Å; V779-L788 HydrophobicContact CG2-CB 4.09Å; V779-L788 HydrophobicContact CG2-CD2 4.41Å; I786-L788 PolarHBondContact O-N 3.23Å; I786-L788 VanDerWaalsContact O-N 3.1Å; L788-R790 PolarHBondContact O-N 3.46Å; L788-L791 PolarHBondContact O-N 3.27Å; L788-I792 HydrophobicContact CD1-CD1 3.89Å; L788-I792 HydrophobicContact CD1-CG1 4.03Å; L788-I792 HydrophobicContact CD2-CD1 4.39Å; L788-I792 HydrophobicContact CG-CD1 3.75Å; L788-I792 HydrophobicContact CG-CG1 4.34Å; L788-I792 WeakPolarHBondContact O-CG1 3.44Å; L788-I792 PolarHBondContact O-N 3.36Å
789	N	94.6	Very high	92.7	Very high	14 Å²	14	43.8 Å²	43.8	8%	0.075	24%	0.237	C	C	.	.	H	α-helix	trans	-55.8	-49.8	173.1	178.7	-89.6	0	0	0	111.3	L774 Q776 D787 L791 I792 T793 H839	L774-N789 WeakPolarHBondContact O-CB 3.26Å; L774-N789 PolarHBondContact O-ND2 3.04Å; Q776-N789 PolarHBondContact O-N 2.91Å; D787-N789 VanDerWaalsContact C-N 3.32Å; D787-N789 PolarHBondContact O-N 2.94Å; D787-N789 WeakPolarHBondContact OD1-CB 3.32Å; D787-N789 PolarHBondContact OD1-N 2.99Å; N789-L791 VanDerWaalsContact C-N 3.34Å; N789-L791 PolarHBondContact O-N 2.89Å; N789-I792 PolarHBondContact O-N 3.48Å; N789-T793 VanDerWaalsContact O-CB 3.31Å; N789-T793 WeakPolarHBondContact O-CB 3.5Å; N789-T793 PolarHBondContact O-N 2.64Å; N789-T793 PolarHBondContact O-OG1 2.87Å; N789-H839 PolarHBondContact ND2-O 3.41Å
790	R	95.1	Very high	93.2	Very high	156 Å²	156	43 Å²	43	59%	0.589	23%	0.232	S	C	*	.	H	α-helix	trans	-57.2	-46.1	176.3	174.3	-177.1	170.4	126.2	-0.9	111.8	D787 L788 T793 Q794	D787-R790 HydrophobicContact CB-CB 3.89Å; D787-R790 VanDerWaalsContact CG-CB 3.46Å; D787-R790 WeakPolarHBondContact O-CB 3.49Å; D787-R790 PolarHBondContact O-N 3.23Å; D787-R790 PolarHBondContact OD1-N 3.13Å; L788-R790 PolarHBondContact O-N 3.46Å; R790-T793 PolarHBondContact O-N 2.93Å; R790-Q794 WeakPolarHBondContact O-CG 3.4Å; R790-Q794 PolarHBondContact O-N 2.75Å; R790-Q794 VanDerWaalsContact O-N 3.14Å
791	L	96.3	Very high	93.7	Very high	39 Å²	39	43 Å²	43	20%	0.204	23%	0.23	C	C	.	.	H	α-helix	trans	-63.7	-45.3	-178.8	-68.9	175.6	0	0	0	111.9	F723 V727 I786 D787 L788 N789 Q794 R795	F723-L791 HydrophobicContact CE1-CD1 3.72Å; F723-L791 HydrophobicContact CZ-CD1 4.33Å; V727-L791 HydrophobicContact CG1-CB 4.02Å; V727-L791 HydrophobicContact CG2-CB 4.45Å; V727-L791 HydrophobicContact CG2-CD1 4.13Å; I786-L791 HydrophobicContact CG2-CD1 3.6Å; D787-L791 PolarHBondContact O-N 3.02Å; D787-L791 VanDerWaalsContact O-N 3.13Å; L788-L791 PolarHBondContact O-N 3.27Å; N789-L791 VanDerWaalsContact C-N 3.34Å; N789-L791 PolarHBondContact O-N 2.89Å; L791-Q794 PolarHBondContact O-N 3.29Å; L791-R795 WeakPolarHBondContact O-CD 3.06Å; L791-R795 PolarHBondContact O-NH1 3.11Å
792	I	96.7	Very high	94.1	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.9	-46.2	175.5	-68.1	168.7	0	0	0	110.5	L730 A731 I734 L774 L788 N789 Q794 R795 I796	L730-I792 HydrophobicContact CD2-CD1 3.79Å; L730-I792 HydrophobicContact CG-CD1 4.16Å; A731-I792 HydrophobicContact CB-CG2 4.41Å; I734-I792 HydrophobicContact CD1-CD1 4.15Å; I734-I792 HydrophobicContact CD1-CG2 4.31Å; L774-I792 HydrophobicContact CD2-CB 4.5Å; L774-I792 HydrophobicContact CD2-CD1 4.14Å; L774-I792 HydrophobicContact CD2-CG2 3.78Å; L788-I792 HydrophobicContact CD1-CD1 3.89Å; L788-I792 HydrophobicContact CD1-CG1 4.03Å; L788-I792 HydrophobicContact CD2-CD1 4.39Å; L788-I792 HydrophobicContact CG-CD1 3.75Å; L788-I792 HydrophobicContact CG-CG1 4.34Å; L788-I792 WeakPolarHBondContact O-CG1 3.44Å; L788-I792 PolarHBondContact O-N 3.36Å; N789-I792 PolarHBondContact O-N 3.48Å; I792-Q794 VanDerWaalsContact C-N 3.29Å; I792-Q794 PolarHBondContact O-N 2.95Å; I792-R795 PolarHBondContact O-N 2.66Å; I792-I796 HydrophobicContact CG2-CD1 3.41Å; I792-I796 VanDerWaalsContact CG2-CD1 3.41Å; I792-I796 HydrophobicContact CG2-CG1 4.01Å; I792-I796 WeakPolarHBondContact O-CG1 3.24Å; I792-I796 PolarHBondContact O-N 3.14Å
793	T	97.2	Very high	94.5	Very high	19 Å²	19	46.2 Å²	46.2	12%	0.117	24%	0.243	C	C	.	.	H	α-helix	trans	-54.6	-42.4	179.9	-57.5	0	0	0	0	112.1	N789 R790 R795 I796 S797 M840 T841 L842	N789-T793 VanDerWaalsContact O-CB 3.31Å; N789-T793 WeakPolarHBondContact O-CB 3.5Å; N789-T793 PolarHBondContact O-N 2.64Å; N789-T793 PolarHBondContact O-OG1 2.87Å; R790-T793 PolarHBondContact O-N 2.93Å; T793-R795 PolarHBondContact O-N 2.72Å; T793-I796 PolarHBondContact O-N 2.97Å; T793-S797 WeakPolarHBondContact O-CB 3.32Å; T793-S797 PolarHBondContact O-N 3.39Å; T793-M840 HydrophobicContact CG2-CB 4.38Å; T793-M840 HydrophobicContact CG2-CG 4.47Å; T793-M840 WeakPolarHBondContact OG1-CB 3.21Å; T793-T841 WeakPolarHBondContact CG2-O 3.17Å; T793-L842 HydrophobicContact CG2-CD2 3.95Å
794	Q	96.3	Very high	95	Very high	93 Å²	93	43 Å²	43	44%	0.435	21%	0.21	S	C	.	.	H	α-helix	trans	-59.1	-44.4	176.9	-71.2	171.7	-30.6	0	0	112.6	R790 L791 I792 A798	R790-Q794 WeakPolarHBondContact O-CG 3.4Å; R790-Q794 PolarHBondContact O-N 2.75Å; R790-Q794 VanDerWaalsContact O-N 3.14Å; L791-Q794 PolarHBondContact O-N 3.29Å; I792-Q794 VanDerWaalsContact C-N 3.29Å; I792-Q794 PolarHBondContact O-N 2.95Å; Q794-A798 PolarHBondContact O-N 2.84Å
795	R	96.5	Very high	95.5	Very high	86 Å²	86	40 Å²	40	33%	0.325	20%	0.203	S	C	.	.	H	α-helix	trans	-72.9	-37.8	-180	-74.4	80.2	176.7	161.4	-1.1	111.2	A731 L791 I792 T793 A798 A799	A731-R795 HydrophobicContact CB-CB 3.65Å; A731-R795 HydrophobicContact CB-CG 4.24Å; L791-R795 WeakPolarHBondContact O-CD 3.06Å; L791-R795 PolarHBondContact O-NH1 3.11Å; I792-R795 PolarHBondContact O-N 2.66Å; T793-R795 PolarHBondContact O-N 2.72Å; R795-A798 PolarHBondContact O-N 3.22Å; R795-A799 WeakPolarHBondContact O-CB 3.42Å; R795-A799 PolarHBondContact O-N 3.21Å
796	I	97	Very high	95.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-69.4	-38.7	178.5	-70.9	-175.2	0	0	0	112	I734 F735 I792 T793 A799 M800 L836 M840 L842	I734-I796 HydrophobicContact CB-CD1 4.26Å; I734-I796 HydrophobicContact CG2-CD1 3.53Å; F735-I796 HydrophobicContact CB-CG1 4.46Å; F735-I796 HydrophobicContact CD2-CG2 4.2Å; I792-I796 HydrophobicContact CG2-CD1 3.41Å; I792-I796 VanDerWaalsContact CG2-CD1 3.41Å; I792-I796 HydrophobicContact CG2-CG1 4.01Å; I792-I796 WeakPolarHBondContact O-CG1 3.24Å; I792-I796 PolarHBondContact O-N 3.14Å; T793-I796 PolarHBondContact O-N 2.97Å; I796-A799 PolarHBondContact O-N 3.29Å; I796-M800 PolarHBondContact O-N 3.2Å; I796-L836 HydrophobicContact CD1-CD2 4.05Å; I796-L836 HydrophobicContact CG2-CD1 3.59Å; I796-L836 HydrophobicContact CG2-CD2 4.02Å; I796-L836 HydrophobicContact CG2-CG 4.29Å; I796-M840 HydrophobicContact CB-SD 4.07Å; I796-M840 HydrophobicContact CD1-CE 3.8Å; I796-M840 HydrophobicContact CD1-SD 3.84Å; I796-M840 HydrophobicContact CG2-SD 3.71Å; I796-L842 HydrophobicContact CG2-CD1 4.32Å; I796-L842 HydrophobicContact CG2-CD2 4.23Å
797	S	96.8	Very high	96.3	Very high	18 Å²	18	36.4 Å²	36.4	13%	0.126	18%	0.177	C	C	.	.	H	α-helix	trans	-59.4	-49.6	172.4	-176.3	0	0	0	0	110.7	T793 A799 M800 Y801	T793-S797 WeakPolarHBondContact O-CB 3.32Å; T793-S797 PolarHBondContact O-N 3.39Å; S797-A799 VanDerWaalsContact C-N 3.3Å; S797-A799 PolarHBondContact O-N 2.91Å; S797-M800 WeakPolarHBondContact O-CB 3.44Å; S797-M800 PolarHBondContact O-N 3.22Å; S797-M800 VanDerWaalsContact O-N 3.11Å; S797-Y801 VanDerWaalsContact O-CD2 3.25Å; S797-Y801 WeakPolarHBondContact O-CD2 3.45Å; S797-Y801 PolarHBondContact O-N 3.19Å; S797-Y801 WeakPolarHBondContact OG-CE2 3.26Å
798	A	97.1	Very high	96.5	Very high	59 Å²	59	34.5 Å²	34.5	49%	0.488	17%	0.167	S	C	.	.	H	α-helix	trans	-58.9	-37.3	174.8	0	0	0	0	0	113.3	Q794 R795 K802	Q794-A798 PolarHBondContact O-N 2.84Å; R795-A798 PolarHBondContact O-N 3.22Å; A798-K802 VanDerWaalsContact O-CB 3.3Å; A798-K802 WeakPolarHBondContact O-CB 3.46Å; A798-K802 PolarHBondContact O-N 3.22Å
799	A	97.1	Very high	96.6	Very high	13 Å²	13	36 Å²	36	11%	0.107	18%	0.177	C	C	.	.	H	α-helix	trans	-70.7	-32.5	176.1	0	0	0	0	0	113.4	F735 R795 I796 S797 S803 Y911	F735-A799 HydrophobicContact CD1-CB 3.7Å; F735-A799 HydrophobicContact CD2-CB 3.87Å; F735-A799 HydrophobicContact CE1-CB 3.81Å; F735-A799 HydrophobicContact CE2-CB 3.98Å; F735-A799 HydrophobicContact CG-CB 3.73Å; F735-A799 HydrophobicContact CZ-CB 3.95Å; F735-A799 WeakPolarHBondContact CZ-O 3.33Å; R795-A799 WeakPolarHBondContact O-CB 3.42Å; R795-A799 PolarHBondContact O-N 3.21Å; I796-A799 PolarHBondContact O-N 3.29Å; S797-A799 VanDerWaalsContact C-N 3.3Å; S797-A799 PolarHBondContact O-N 2.91Å; A799-S803 WeakPolarHBondContact O-CB 3.46Å; A799-S803 PolarHBondContact O-N 3.37Å; A799-S803 PolarHBondContact O-OG 2.65Å; A799-Y911 HydrophobicContact CB-CE1 4.27Å
800	M	97.6	Very high	96.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66.8	-51.2	170.7	-84.3	-60.9	-48.5	0	0	111.5	F735 I796 S797 K802 S803 L804 N829 T832 H833 L836 L842 F845 M848	F735-M800 HydrophobicContact CE2-CG 3.87Å; F735-M800 HydrophobicContact CE2-SD 3.76Å; F735-M800 HydrophobicContact CZ-SD 4.26Å; I796-M800 PolarHBondContact O-N 3.2Å; S797-M800 WeakPolarHBondContact O-CB 3.44Å; S797-M800 PolarHBondContact O-N 3.22Å; S797-M800 VanDerWaalsContact O-N 3.11Å; M800-K802 VanDerWaalsContact C-N 3.32Å; M800-K802 PolarHBondContact O-N 2.89Å; M800-S803 PolarHBondContact O-N 2.9Å; M800-L804 HydrophobicContact CE-CD1 4.46Å; M800-L804 WeakPolarHBondContact O-CG 3.38Å; M800-L804 PolarHBondContact O-N 2.8Å; M800-N829 HydrophobicContact CE-CB 4.34Å; M800-T832 HydrophobicContact SD-CG2 4.06Å; M800-H833 HydrophobicContact CE-CB 3.9Å; M800-H833 HydrophobicContact SD-CB 4.45Å; M800-L836 HydrophobicContact CG-CD1 4.23Å; M800-L836 HydrophobicContact SD-CD1 4.19Å; M800-L842 HydrophobicContact CG-CD1 4.32Å; M800-F845 HydrophobicContact CE-CD2 4.39Å; M800-F845 HydrophobicContact CE-CE2 4.34Å; M800-M848 HydrophobicContact CB-CE 3.58Å; M800-M848 HydrophobicContact CB-SD 4.21Å
801	Y	97.3	Very high	96.7	Very high	50 Å²	50	30.6 Å²	30.6	20%	0.196	16%	0.156	C	C	.	.	H	α-helix	trans	-54	-49.1	174.2	-82.5	-71	0	0	0	111.4	S797 S803 L804 D805 D843 M848 E851	S797-Y801 VanDerWaalsContact O-CD2 3.25Å; S797-Y801 WeakPolarHBondContact O-CD2 3.45Å; S797-Y801 PolarHBondContact O-N 3.19Å; S797-Y801 WeakPolarHBondContact OG-CE2 3.26Å; Y801-S803 VanDerWaalsContact C-N 3.32Å; Y801-S803 PolarHBondContact O-N 3.43Å; Y801-L804 PolarHBondContact O-N 3.35Å; Y801-D805 WeakPolarHBondContact O-CB 3.19Å; Y801-D805 PolarHBondContact O-N 3.48Å; Y801-D843 PolarHBondContact OH-OD2 3.18Å; Y801-M848 HydrophobicContact CD1-CB 4.38Å; Y801-M848 HydrophobicContact CD1-CE 4.49Å; Y801-M848 HydrophobicContact CD2-CE 3.49Å; Y801-M848 VanDerWaalsContact CD2-CE 3.49Å; Y801-M848 HydrophobicContact CE1-CB 3.93Å; Y801-M848 HydrophobicContact CE1-CE 4.39Å; Y801-M848 HydrophobicContact CE1-CG 4.15Å; Y801-M848 HydrophobicContact CE2-CE 3.37Å; Y801-M848 HydrophobicContact CE2-CG 4.37Å; Y801-M848 HydrophobicContact CG-CE 4.06Å; Y801-E851 HydrophobicContact CE1-CB 4.05Å; Y801-E851 HydrophobicContact CE1-CG 4.11Å; Y801-E851 WeakPolarHBondContact CE1-OE2 3.43Å; Y801-E851 PolarHBondContact OH-OE2 3Å
802	K	96.8	Very high	96.7	Very high	91 Å²	91	32 Å²	32	40%	0.396	16%	0.161	S	C	.	.	H	α-helix	trans	-61.1	-36.4	176.2	-175.8	169.4	171.4	-172.5	0	112.9	A798 M800 Q806 Y911	A798-K802 VanDerWaalsContact O-CB 3.3Å; A798-K802 WeakPolarHBondContact O-CB 3.46Å; A798-K802 PolarHBondContact O-N 3.22Å; M800-K802 VanDerWaalsContact C-N 3.32Å; M800-K802 PolarHBondContact O-N 2.89Å; K802-Q806 HydrophobicContact CG-CG 4.29Å; K802-Q806 VanDerWaalsContact O-CB 3.31Å; K802-Q806 WeakPolarHBondContact O-CB 3.03Å; K802-Q806 WeakPolarHBondContact O-CG 3.32Å; K802-Q806 PolarHBondContact O-N 3.4Å; K802-Y911 HydrophobicContact CB-CD1 4.28Å; K802-Y911 HydrophobicContact CB-CE1 4.15Å; K802-Y911 HydrophobicContact CD-CD1 4.11Å; K802-Y911 HydrophobicContact CD-CE1 3.6Å; K802-Y911 HydrophobicContact CD-CE2 4.22Å; K802-Y911 HydrophobicContact CG-CD1 3.93Å; K802-Y911 HydrophobicContact CG-CE1 3.89Å; K802-Y911 HydrophobicContact CG-CG 4.48Å; K802-Y911 PolarHBondContact NZ-OH 3.44Å
803	S	97.3	Very high	96.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-69.2	-34	176.6	-60.2	0	0	0	0	113.1	F735 K739 A799 M800 Y801 A807 N829 Y911	F735-S803 WeakPolarHBondContact CE1-OG 3.13Å; F735-S803 VanDerWaalsContact CZ-OG 3.24Å; F735-S803 WeakPolarHBondContact CZ-OG 3.25Å; K739-S803 PolarHBondContact NZ-OG 2.88Å; K739-S803 VanDerWaalsContact NZ-OG 3.1Å; A799-S803 WeakPolarHBondContact O-CB 3.46Å; A799-S803 PolarHBondContact O-N 3.37Å; A799-S803 PolarHBondContact O-OG 2.65Å; M800-S803 PolarHBondContact O-N 2.9Å; Y801-S803 VanDerWaalsContact C-N 3.32Å; Y801-S803 PolarHBondContact O-N 3.43Å; S803-A807 WeakPolarHBondContact O-CB 3.41Å; S803-A807 PolarHBondContact O-N 3.03Å; S803-A807 VanDerWaalsContact O-N 3.16Å; S803-N829 WeakPolarHBondContact CB-OD1 3.27Å; S803-N829 PolarHBondContact O-ND2 3.34Å; S803-Y911 WeakPolarHBondContact CB-O 3.4Å
804	L	97.7	Very high	96.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-73.2	-47.1	176.6	-68.8	168.9	0	0	0	111.1	M800 Y801 Q806 A807 I808 L826 N829 F845 M848 A852	M800-L804 HydrophobicContact CE-CD1 4.46Å; M800-L804 WeakPolarHBondContact O-CG 3.38Å; M800-L804 PolarHBondContact O-N 2.8Å; Y801-L804 PolarHBondContact O-N 3.35Å; L804-Q806 VanDerWaalsContact C-N 3.33Å; L804-Q806 PolarHBondContact O-N 3.32Å; L804-A807 WeakPolarHBondContact O-CB 3.47Å; L804-A807 PolarHBondContact O-N 3.42Å; L804-I808 WeakPolarHBondContact O-CG1 3.47Å; L804-I808 PolarHBondContact O-N 3.16Å; L804-I808 VanDerWaalsContact O-N 3.07Å; L804-L826 HydrophobicContact CD2-CD2 3.78Å; L804-N829 HydrophobicContact CD2-CB 3.81Å; L804-F845 HydrophobicContact CD1-CE2 4.47Å; L804-F845 HydrophobicContact CD2-CE2 3.82Å; L804-F845 HydrophobicContact CD2-CZ 3.84Å; L804-M848 HydrophobicContact CD1-CB 3.66Å; L804-A852 HydrophobicContact CB-CB 3.71Å
805	D	96.8	Very high	96.3	Very high	50 Å²	50	29.5 Å²	29.5	27%	0.267	15%	0.151	S	C	.	.	H	α-helix	trans	-56.7	-45.3	174.3	168.4	66.7	0	0	0	112	Y801 A807 I808 S809 R862	Y801-D805 WeakPolarHBondContact O-CB 3.19Å; Y801-D805 PolarHBondContact O-N 3.48Å; D805-A807 VanDerWaalsContact C-N 3.32Å; D805-A807 PolarHBondContact O-N 3.37Å; D805-I808 PolarHBondContact O-N 3Å; D805-S809 VanDerWaalsContact O-CB 3.32Å; D805-S809 WeakPolarHBondContact O-CB 3.48Å; D805-S809 PolarHBondContact O-N 2.89Å; D805-S809 PolarHBondContact O-OG 2.63Å; D805-S809 PolarHBondContact OD1-OG 3.38Å; D805-R862 IonicContact OD1-CZ 2.76Å; D805-R862 IonicContact OD1-NH1 2.6Å; D805-R862 PolarHBondContact OD1-NH1 3.49Å; D805-R862 IonicContact OD1-NH2 3.21Å
806	Q	95.6	Very high	96.3	Very high	34 Å²	34	25.6 Å²	25.6	16%	0.159	14%	0.136	C	C	.	.	H	α-helix	trans	-70.9	-26.5	179.1	-65.6	-61.7	-68.8	0	0	113.1	K802 L804 R810 V907	K802-Q806 HydrophobicContact CG-CG 4.29Å; K802-Q806 VanDerWaalsContact O-CB 3.31Å; K802-Q806 WeakPolarHBondContact O-CB 3.03Å; K802-Q806 WeakPolarHBondContact O-CG 3.32Å; K802-Q806 PolarHBondContact O-N 3.4Å; L804-Q806 VanDerWaalsContact C-N 3.33Å; L804-Q806 PolarHBondContact O-N 3.32Å; Q806-R810 WeakPolarHBondContact O-CB 3.39Å; Q806-R810 PolarHBondContact O-N 3.38Å; Q806-R810 VanDerWaalsContact O-N 3.12Å; Q806-V907 HydrophobicContact CG-CG1 4.16Å; Q806-V907 VanDerWaalsContact OE1-CG1 3.23Å
807	A	96.6	Very high	96.2	Very high	2 Å²	2	25.6 Å²	25.6	2%	0.017	14%	0.136	C	C	.	.	H	α-helix	trans	-67	-44.7	170.6	0	0	0	0	0	111.4	S803 L804 D805 R810 F811 L822 L825 L826	S803-A807 WeakPolarHBondContact O-CB 3.41Å; S803-A807 PolarHBondContact O-N 3.03Å; S803-A807 VanDerWaalsContact O-N 3.16Å; L804-A807 WeakPolarHBondContact O-CB 3.47Å; L804-A807 PolarHBondContact O-N 3.42Å; D805-A807 VanDerWaalsContact C-N 3.32Å; D805-A807 PolarHBondContact O-N 3.37Å; A807-R810 PolarHBondContact O-N 2.94Å; A807-F811 PolarHBondContact O-N 3.35Å; A807-L822 HydrophobicContact CB-CD1 4.13Å; A807-L822 WeakPolarHBondContact O-CD1 3.42Å; A807-L825 HydrophobicContact CB-CD2 3.56Å; A807-L825 HydrophobicContact CB-CG 3.82Å; A807-L826 HydrophobicContact CB-CD2 4.38Å
808	I	96.7	Very high	96.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-70.9	-44	179.7	-61.8	174.6	0	0	0	110.9	L804 D805 R810 F811 E812 L822 F849 A852 N853 R862 I863	L804-I808 WeakPolarHBondContact O-CG1 3.47Å; L804-I808 PolarHBondContact O-N 3.16Å; L804-I808 VanDerWaalsContact O-N 3.07Å; D805-I808 PolarHBondContact O-N 3Å; I808-R810 PolarHBondContact O-N 3.47Å; I808-F811 WeakPolarHBondContact O-CA 3.04Å; I808-F811 WeakPolarHBondContact O-CB 3.27Å; I808-F811 PolarHBondContact O-N 2.92Å; I808-E812 PolarHBondContact O-N 3.01Å; I808-L822 HydrophobicContact CG1-CD1 4.46Å; I808-F849 HydrophobicContact CD1-CD2 4.5Å; I808-F849 HydrophobicContact CD1-CE2 4.23Å; I808-A852 HydrophobicContact CD1-CB 4.26Å; I808-N853 HydrophobicContact CD1-CB 3.7Å; I808-R862 HydrophobicContact CG2-CB 3.69Å; I808-R862 HydrophobicContact CG2-CG 4.47Å; I808-I863 HydrophobicContact CD1-CD1 4.24Å; I808-I863 HydrophobicContact CG1-CD1 4.15Å; I808-I863 HydrophobicContact CG1-CG1 4.28Å; I808-I863 HydrophobicContact CG2-CG1 4.15Å
809	S	96	Very high	96.2	Very high	31 Å²	31	22.1 Å²	22.1	22%	0.217	11%	0.108	C	C	.	.	H	α-helix	trans	-61	-31.9	176.5	-51.8	0	0	0	0	112.4	D805 E812 S813 R862	D805-S809 VanDerWaalsContact O-CB 3.32Å; D805-S809 WeakPolarHBondContact O-CB 3.48Å; D805-S809 PolarHBondContact O-N 2.89Å; D805-S809 PolarHBondContact O-OG 2.63Å; D805-S809 PolarHBondContact OD1-OG 3.38Å; S809-E812 WeakPolarHBondContact CA-OE2 3.31Å; S809-S813 PolarHBondContact O-N 3.16Å; S809-S813 PolarHBondContact O-OG 3.06Å; S809-R862 PolarHBondContact OG-NH2 3.32Å
810	R	95.1	Very high	96.1	Very high	54 Å²	54	21.7 Å²	21.7	20%	0.204	10%	0.104	C	C	.	.	H	α-helix	trans	-68.5	-37.5	172.9	178.9	175.5	178.1	61.3	14.9	112	Q806 A807 I808 S813 E814 E821	Q806-R810 WeakPolarHBondContact O-CB 3.39Å; Q806-R810 PolarHBondContact O-N 3.38Å; Q806-R810 VanDerWaalsContact O-N 3.12Å; A807-R810 PolarHBondContact O-N 2.94Å; I808-R810 PolarHBondContact O-N 3.47Å; R810-S813 WeakPolarHBondContact CA-OG 3.49Å; R810-S813 PolarHBondContact O-N 2.98Å; R810-S813 PolarHBondContact O-OG 3.12Å; R810-E814 IonicContact CZ-OE1 3.22Å; R810-E814 IonicContact NH1-OE1 3.92Å; R810-E814 IonicContact NH2-OE1 2.86Å; R810-E814 PolarHBondContact NH2-OE1 3.07Å; R810-E814 WeakPolarHBondContact O-CG 3.37Å; R810-E821 IonicContact CZ-OE1 2.83Å; R810-E821 IonicContact NE-OE1 2.72Å; R810-E821 PolarHBondContact NE-OE1 2.93Å; R810-E821 IonicContact NH2-OE1 3.48Å; R810-E821 PolarHBondContact NH2-OE1 3.36Å; R810-E821 IonicContact NH2-OE2 3.57Å
811	F	96.4	Very high	96.1	Very high	3 Å²	3	22.1 Å²	22.1	1%	0.013	11%	0.106	C	C	.	.	H	α-helix	trans	-66.1	-44.5	172.8	178	-122.1	0	0	0	111.7	A807 I808 S813 E814 S818 I819 L822 I863 H866 V867	A807-F811 PolarHBondContact O-N 3.35Å; I808-F811 WeakPolarHBondContact O-CA 3.04Å; I808-F811 WeakPolarHBondContact O-CB 3.27Å; I808-F811 PolarHBondContact O-N 2.92Å; F811-S813 PolarHBondContact O-N 3.17Å; F811-E814 PolarHBondContact O-N 3.1Å; F811-E814 VanDerWaalsContact O-O 3.13Å; F811-S818 VanDerWaalsContact CD2-OG 3.3Å; F811-S818 WeakPolarHBondContact CD2-OG 3.37Å; F811-I819 HydrophobicContact CD2-CB 4.33Å; F811-I819 HydrophobicContact CD2-CG1 4.46Å; F811-I819 HydrophobicContact CE1-CG1 4.43Å; F811-I819 HydrophobicContact CE2-CB 3.58Å; F811-I819 HydrophobicContact CE2-CG1 3.78Å; F811-I819 HydrophobicContact CZ-CB 3.99Å; F811-I819 HydrophobicContact CZ-CD1 4.04Å; F811-I819 HydrophobicContact CZ-CG1 3.76Å; F811-L822 HydrophobicContact CB-CB 4.27Å; F811-L822 HydrophobicContact CB-CD1 4.28Å; F811-L822 HydrophobicContact CB-CD2 3.85Å; F811-L822 HydrophobicContact CB-CG 4.35Å; F811-L822 HydrophobicContact CD1-CD2 3.72Å; F811-L822 HydrophobicContact CD2-CB 4.49Å; F811-L822 HydrophobicContact CD2-CD2 4.27Å; F811-L822 HydrophobicContact CE1-CD2 4.34Å; F811-L822 HydrophobicContact CG-CB 4.45Å; F811-L822 HydrophobicContact CG-CD2 3.68Å; F811-I863 HydrophobicContact CD1-CG1 4.46Å; F811-I863 HydrophobicContact CD1-CG2 4.33Å; F811-I863 HydrophobicContact CE1-CG2 3.93Å; F811-H866 HydrophobicContact CD1-CB 4.25Å; F811-H866 AromaticContact CD1-CD2 3.72Å; F811-H866 HydrophobicContact CE1-CB 3.93Å; F811-H866 AromaticContact CE1-CD2 3.57Å; F811-H866 AromaticContact CZ-CD2 3.76Å; F811-H866 PolarHBondContact O-CD2 3.46Å; F811-H866 VanDerWaalsContact O-CD2 3.26Å; F811-H866 PolarHBondContact O-NE2 2.97Å; F811-V867 HydrophobicContact CE1-CG2 4.02Å; F811-V867 HydrophobicContact CZ-CG2 3.77Å
812	E	95.5	Very high	96	Very high	67 Å²	67	20 Å²	20	31%	0.313	10%	0.098	S	C	.	.	H	α-helix	trans	-59.5	-27.1	176.3	-69	169.4	157.9	0	0	113.4	I808 S809 E814 R862 H866	I808-E812 PolarHBondContact O-N 3.01Å; S809-E812 WeakPolarHBondContact CA-OE2 3.31Å; E812-E814 VanDerWaalsContact C-N 3.35Å; E812-R862 VanDerWaalsContact OE1-CB 3.3Å; E812-R862 WeakPolarHBondContact OE1-CB 3.13Å; E812-R862 WeakPolarHBondContact OE1-CG 3.35Å; E812-R862 IonicContact OE1-CZ 3.4Å; E812-R862 IonicContact OE1-NE 3.47Å; E812-R862 PolarHBondContact OE1-NE 2.74Å; E812-R862 IonicContact OE1-NH2 3.61Å; E812-R862 IonicContact OE2-CZ 3.54Å; E812-R862 IonicContact OE2-NE 2.65Å; E812-R862 PolarHBondContact OE2-NE 3.46Å; E812-R862 IonicContact OE2-NH2 3.81Å; E812-R862 PolarHBondContact OE2-NH2 3.14Å; E812-H866 HydrophobicContact CG-CB 4.31Å; E812-H866 PolarHBondContact O-CE1 3.19Å
813	S	94.3	Very high	96	Very high	15 Å²	15	17.1 Å²	17.1	11%	0.105	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-4.5	174.8	63.4	0	0	0	0	115.3	S809 R810 F811 R901 D902 P904	S809-S813 PolarHBondContact O-N 3.16Å; S809-S813 PolarHBondContact O-OG 3.06Å; R810-S813 WeakPolarHBondContact CA-OG 3.49Å; R810-S813 PolarHBondContact O-N 2.98Å; R810-S813 PolarHBondContact O-OG 3.12Å; F811-S813 PolarHBondContact O-N 3.17Å; S813-R901 WeakPolarHBondContact O-CB 3.35Å; S813-D902 WeakPolarHBondContact CB-O 3.22Å; S813-P904 WeakPolarHBondContact OG-CB 3.47Å; S813-P904 WeakPolarHBondContact OG-CD 3.11Å
814	E	93.9	Very high	95.8	Very high	28 Å²	28	22 Å²	22	13%	0.131	11%	0.105	C	C	.	.	S	Bend	trans	-130.6	169.4	-169.9	-66.7	-166.2	-152.6	0	0	112.4	R810 F811 E812 S818 H866 R930	R810-E814 IonicContact CZ-OE1 3.22Å; R810-E814 IonicContact NH1-OE1 3.92Å; R810-E814 IonicContact NH2-OE1 2.86Å; R810-E814 PolarHBondContact NH2-OE1 3.07Å; R810-E814 WeakPolarHBondContact O-CG 3.37Å; F811-E814 PolarHBondContact O-N 3.1Å; F811-E814 VanDerWaalsContact O-O 3.13Å; E812-E814 VanDerWaalsContact C-N 3.35Å; E814-S818 WeakPolarHBondContact CB-OG 3.39Å; E814-H866 PolarHBondContact O-NE2 2.82Å; E814-R930 IonicContact OE2-CZ 3.34Å; E814-R930 IonicContact OE2-NH1 3.66Å; E814-R930 PolarHBondContact OE2-NH1 2.83Å; E814-R930 IonicContact OE2-NH2 3.66Å; E814-R930 PolarHBondContact OE2-NH2 2.67Å
815	D	94.4	Very high	95.8	Very high	18 Å²	18	22.1 Å²	22.1	10%	0.096	11%	0.105	C	C	.	.			trans	-79	167.1	-178.4	73.2	-19.6	0	0	0	113.1	T817 S818 E870 R890 R930	D815-T817 PolarHBondContact O-N 2.95Å; D815-T817 PolarHBondContact OD1-OG1 2.67Å; D815-T817 PolarHBondContact OD2-OG1 3.24Å; D815-S818 WeakPolarHBondContact O-CB 3.44Å; D815-S818 PolarHBondContact O-N 3.43Å; D815-S818 PolarHBondContact O-OG 2.89Å; D815-E870 VanDerWaalsContact CA-OE2 3.32Å; D815-E870 WeakPolarHBondContact CA-OE2 3.24Å; D815-R890 IonicContact OD2-CZ 3.63Å; D815-R890 IonicContact OD2-NH2 2.72Å; D815-R890 PolarHBondContact OD2-NH2 3.07Å; D815-R930 IonicContact OD1-CZ 2.82Å; D815-R930 IonicContact OD1-NE 3.85Å; D815-R930 IonicContact OD1-NH2 3.89Å; D815-R930 PolarHBondContact OD1-NH2 2.89Å
816	L	95.4	Very high	95.8	Very high	3 Å²	3	20 Å²	20	2%	0.016	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-51.2	-28.6	-177.8	-172.7	61.4	0	0	0	114.3	S818 I819 V867 E870 L871 F875 I941	L816-S818 PolarHBondContact O-N 2.98Å; L816-I819 WeakPolarHBondContact O-CB 3.43Å; L816-I819 VanDerWaalsContact O-CG2 3.31Å; L816-I819 WeakPolarHBondContact O-CG2 3.49Å; L816-I819 PolarHBondContact O-N 3.44Å; L816-V867 HydrophobicContact CD1-CB 4.41Å; L816-V867 HydrophobicContact CD1-CG1 4.16Å; L816-V867 HydrophobicContact CD1-CG2 3.99Å; L816-E870 HydrophobicContact CB-CB 4.09Å; L816-L871 HydrophobicContact CD2-CD2 3.81Å; L816-L871 HydrophobicContact CD2-CG 4.37Å; L816-F875 HydrophobicContact CD2-CB 4.29Å; L816-F875 HydrophobicContact CD2-CD2 4.18Å; L816-F875 HydrophobicContact CD2-CG 4.32Å; L816-I941 HydrophobicContact CD1-CD1 4.04Å; L816-I941 HydrophobicContact CD1-CG1 4.48Å; L816-I941 HydrophobicContact CD2-CD1 4.37Å; L816-I941 HydrophobicContact CG-CD1 4.39Å
817	T	96.2	Very high	95.9	Very high	1 Å²	1	21 Å²	21	1%	0.006	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-65.2	-26.2	179	73	0	0	0	0	113.1	D815 I819 Y879 R930 V933	D815-T817 PolarHBondContact O-N 2.95Å; D815-T817 PolarHBondContact OD1-OG1 2.67Å; D815-T817 PolarHBondContact OD2-OG1 3.24Å; T817-I819 PolarHBondContact O-N 3.31Å; T817-Y879 WeakPolarHBondContact CG2-OH 3.35Å; T817-R930 WeakPolarHBondContact OG1-CA 3.41Å; T817-R930 WeakPolarHBondContact OG1-CD 3.49Å; T817-R930 PolarHBondContact OG1-NE 3.44Å; T817-V933 HydrophobicContact CG2-CG2 3.89Å
818	S	95.9	Very high	95.9	Very high	4 Å²	4	21 Å²	21	3%	0.028	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-69.5	-9.4	177.2	68.6	0	0	0	0	114.1	F811 E814 D815 L816 V820 E821 L822	F811-S818 VanDerWaalsContact CD2-OG 3.3Å; F811-S818 WeakPolarHBondContact CD2-OG 3.37Å; E814-S818 WeakPolarHBondContact CB-OG 3.39Å; D815-S818 WeakPolarHBondContact O-CB 3.44Å; D815-S818 PolarHBondContact O-N 3.43Å; D815-S818 PolarHBondContact O-OG 2.89Å; L816-S818 PolarHBondContact O-N 2.98Å; S818-V820 PolarHBondContact O-N 2.84Å; S818-V820 VanDerWaalsContact O-N 3.14Å; S818-E821 WeakPolarHBondContact O-CA 3.45Å; S818-E821 VanDerWaalsContact O-CB 3.28Å; S818-E821 WeakPolarHBondContact O-CB 3.47Å; S818-E821 PolarHBondContact O-N 2.87Å; S818-L822 PolarHBondContact O-N 3.44Å; S818-L822 VanDerWaalsContact O-N 3.07Å
819	I	97.1	Very high	96	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60.6	-28.6	-178.5	-154.2	-178.7	0	0	0	113.1	F811 L816 T817 L822 E823 V867 T940 I941 L944	F811-I819 HydrophobicContact CD2-CB 4.33Å; F811-I819 HydrophobicContact CD2-CG1 4.46Å; F811-I819 HydrophobicContact CE1-CG1 4.43Å; F811-I819 HydrophobicContact CE2-CB 3.58Å; F811-I819 HydrophobicContact CE2-CG1 3.78Å; F811-I819 HydrophobicContact CZ-CB 3.99Å; F811-I819 HydrophobicContact CZ-CD1 4.04Å; F811-I819 HydrophobicContact CZ-CG1 3.76Å; L816-I819 WeakPolarHBondContact O-CB 3.43Å; L816-I819 VanDerWaalsContact O-CG2 3.31Å; L816-I819 WeakPolarHBondContact O-CG2 3.49Å; L816-I819 PolarHBondContact O-N 3.44Å; T817-I819 PolarHBondContact O-N 3.31Å; I819-L822 HydrophobicContact CG1-CD2 4.42Å; I819-L822 WeakPolarHBondContact O-CB 3.45Å; I819-L822 PolarHBondContact O-N 3.06Å; I819-E823 PolarHBondContact O-N 3.44Å; I819-V867 HydrophobicContact CD1-CG2 3.71Å; I819-T940 HydrophobicContact CB-CG2 4.43Å; I819-T940 HydrophobicContact CD1-CG2 4.34Å; I819-T940 HydrophobicContact CG1-CG2 4.01Å; I819-T940 HydrophobicContact CG2-CG2 4.02Å; I819-T940 WeakPolarHBondContact O-CG2 3.43Å; I819-I941 HydrophobicContact CD1-CB 4.37Å; I819-I941 HydrophobicContact CD1-CG1 3.57Å; I819-I941 HydrophobicContact CG2-CG1 4.27Å; I819-L944 HydrophobicContact CD1-CD1 4Å; I819-L944 HydrophobicContact CG1-CD1 3.83Å
820	V	96.6	Very high	96.1	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.024	10%	0.104	C	C	.	.	H	α-helix	trans	-68.6	-36.9	174	179	0	0	0	0	110.9	S818 W824 Y926 Y929 H937	S818-V820 PolarHBondContact O-N 2.84Å; S818-V820 VanDerWaalsContact O-N 3.14Å; V820-W824 VanDerWaalsContact O-CD1 3.29Å; V820-W824 PolarHBondContact O-N 3.26Å; V820-Y926 HydrophobicContact CG1-CD1 4.24Å; V820-Y929 HydrophobicContact CB-CD1 4.43Å; V820-Y929 HydrophobicContact CB-CG 4.4Å; V820-Y929 HydrophobicContact CG1-CD1 4.03Å; V820-Y929 HydrophobicContact CG1-CD2 4.28Å; V820-Y929 HydrophobicContact CG1-CE1 4.19Å; V820-Y929 HydrophobicContact CG1-CE2 4.44Å; V820-Y929 HydrophobicContact CG1-CG 4.07Å; V820-Y929 HydrophobicContact CG2-CD1 4.17Å; V820-H937 VanDerWaalsContact CG2-CD2 3.48Å; V820-H937 WeakPolarHBondContact CG2-CD2 3.36Å
821	E	95.7	Very high	96.2	Very high	9 Å²	9	22.2 Å²	22.2	4%	0.042	10%	0.1	C	C	.	.	H	α-helix	trans	-65.1	-41.9	173.6	-173	175.9	149.6	0	0	110.8	R810 S818 L825 Y913 Y926	R810-E821 IonicContact CZ-OE1 2.83Å; R810-E821 IonicContact NE-OE1 2.72Å; R810-E821 PolarHBondContact NE-OE1 2.93Å; R810-E821 IonicContact NH2-OE1 3.48Å; R810-E821 PolarHBondContact NH2-OE1 3.36Å; R810-E821 IonicContact NH2-OE2 3.57Å; S818-E821 WeakPolarHBondContact O-CA 3.45Å; S818-E821 VanDerWaalsContact O-CB 3.28Å; S818-E821 WeakPolarHBondContact O-CB 3.47Å; S818-E821 PolarHBondContact O-N 2.87Å; E821-L825 WeakPolarHBondContact O-CB 2.96Å; E821-L825 PolarHBondContact O-N 3.23Å; E821-Y913 WeakPolarHBondContact CG-OH 3.45Å; E821-Y913 PolarHBondContact OE1-OH 2.94Å; E821-Y926 HydrophobicContact CB-CD2 4.16Å; E821-Y926 HydrophobicContact CB-CG 4.14Å; E821-Y926 HydrophobicContact CG-CD2 3.78Å; E821-Y926 HydrophobicContact CG-CG 4.23Å
822	L	96.7	Very high	96.3	Very high	5 Å²	5	22.1 Å²	22.1	3%	0.026	10%	0.099	C	C	.	.	H	α-helix	trans	-58.4	-51.3	174.9	172	67.6	0	0	0	112.2	A807 I808 F811 S818 I819 W824 L825 L826 I863 L944	A807-L822 HydrophobicContact CB-CD1 4.13Å; A807-L822 WeakPolarHBondContact O-CD1 3.42Å; I808-L822 HydrophobicContact CG1-CD1 4.46Å; F811-L822 HydrophobicContact CB-CB 4.27Å; F811-L822 HydrophobicContact CB-CD1 4.28Å; F811-L822 HydrophobicContact CB-CD2 3.85Å; F811-L822 HydrophobicContact CB-CG 4.35Å; F811-L822 HydrophobicContact CD1-CD2 3.72Å; F811-L822 HydrophobicContact CD2-CB 4.49Å; F811-L822 HydrophobicContact CD2-CD2 4.27Å; F811-L822 HydrophobicContact CE1-CD2 4.34Å; F811-L822 HydrophobicContact CG-CB 4.45Å; F811-L822 HydrophobicContact CG-CD2 3.68Å; S818-L822 PolarHBondContact O-N 3.44Å; S818-L822 VanDerWaalsContact O-N 3.07Å; I819-L822 HydrophobicContact CG1-CD2 4.42Å; I819-L822 WeakPolarHBondContact O-CB 3.45Å; I819-L822 PolarHBondContact O-N 3.06Å; L822-W824 VanDerWaalsContact C-N 3.31Å; L822-W824 PolarHBondContact O-N 3.14Å; L822-L825 PolarHBondContact O-N 2.91Å; L822-L826 HydrophobicContact CD1-CD1 3.93Å; L822-L826 HydrophobicContact CD1-CD2 4.42Å; L822-L826 HydrophobicContact CD1-CG 3.92Å; L822-L826 HydrophobicContact CD2-CD1 4.49Å; L822-L826 HydrophobicContact CG-CD1 3.9Å; L822-L826 HydrophobicContact CG-CG 4.29Å; L822-L826 WeakPolarHBondContact O-CG 3.45Å; L822-L826 PolarHBondContact O-N 3.23Å; L822-I863 HydrophobicContact CD2-CD1 3.88Å; L822-I863 HydrophobicContact CD2-CG1 3.89Å; L822-I863 HydrophobicContact CD2-CG2 4.13Å; L822-L944 HydrophobicContact CD2-CD1 4.08Å
823	E	95.5	Very high	96.4	Very high	32 Å²	32	20 Å²	20	15%	0.15	9%	0.089	C	C	.	.	H	α-helix	trans	-55.8	-45.9	-177.7	178.8	177.8	-151.5	0	0	112	I819 L826 E827 T940 R943	I819-E823 PolarHBondContact O-N 3.44Å; E823-L826 WeakPolarHBondContact O-CB 3.17Å; E823-L826 PolarHBondContact O-N 2.99Å; E823-E827 PolarHBondContact O-N 2.88Å; E823-T940 HydrophobicContact CB-CG2 3.57Å; E823-T940 HydrophobicContact CG-CG2 4.17Å; E823-T940 WeakPolarHBondContact OE2-CB 3.34Å; E823-T940 VanDerWaalsContact OE2-CG2 3.29Å; E823-T940 WeakPolarHBondContact OE2-CG2 3.47Å; E823-T940 PolarHBondContact OE2-OG1 3Å; E823-R943 WeakPolarHBondContact OE1-CD 3.49Å; E823-R943 IonicContact OE1-CZ 3.7Å; E823-R943 IonicContact OE1-NE 2.72Å; E823-R943 IonicContact OE1-NH1 2.65Å; E823-R943 PolarHBondContact OE1-NH1 2.99Å; E823-R943 IonicContact OE2-NH1 2.77Å
824	W	94.3	Very high	96.5	Very high	103 Å²	103	25.9 Å²	25.9	39%	0.39	11%	0.109	S	C	.	.	H	α-helix	trans	-72.7	-32.7	179.7	-77.3	102.9	0	0	0	113.4	V820 L822 L826 E827 I828 Y926	V820-W824 VanDerWaalsContact O-CD1 3.29Å; V820-W824 PolarHBondContact O-N 3.26Å; L822-W824 VanDerWaalsContact C-N 3.31Å; L822-W824 PolarHBondContact O-N 3.14Å; W824-L826 VanDerWaalsContact C-N 3.34Å; W824-E827 PolarHBondContact O-N 3.46Å; W824-I828 WeakPolarHBondContact O-CG1 3.4Å; W824-I828 PolarHBondContact O-N 3.37Å; W824-Y926 HydrophobicContact CB-CE1 4.03Å; W824-Y926 HydrophobicContact CB-CE2 3.99Å; W824-Y926 VanDerWaalsContact CB-CZ 3.43Å; W824-Y926 WeakPolarHBondContact CB-OH 3.31Å; W824-Y926 AromaticContact CD1-CE1 3.41Å; W824-Y926 VanDerWaalsContact CD1-CE1 3.41Å; W824-Y926 AromaticContact CD1-CZ 3.74Å; W824-Y926 AromaticContact CG-CE1 3.76Å; W824-Y926 HydrophobicContact CG-CE1 3.76Å; W824-Y926 AromaticContact CG-CZ 3.57Å
825	L	96.7	Very high	96.7	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-66.7	-37.3	171.2	-178.3	56.6	0	0	0	111.5	A807 E821 L822 I828 N829 L912 Y913	A807-L825 HydrophobicContact CB-CD2 3.56Å; A807-L825 HydrophobicContact CB-CG 3.82Å; E821-L825 WeakPolarHBondContact O-CB 2.96Å; E821-L825 PolarHBondContact O-N 3.23Å; L822-L825 PolarHBondContact O-N 2.91Å; L825-I828 PolarHBondContact O-N 3.43Å; L825-N829 PolarHBondContact O-N 3.03Å; L825-N829 PolarHBondContact O-ND2 2.87Å; L825-L912 HydrophobicContact CD2-CD2 4.1Å; L825-Y913 HydrophobicContact CB-CE1 4.17Å; L825-Y913 HydrophobicContact CD1-CD1 4.13Å; L825-Y913 HydrophobicContact CD1-CE1 3.98Å; L825-Y913 HydrophobicContact CD1-CE2 4.45Å; L825-Y913 HydrophobicContact CD1-CG 4.41Å
826	L	97.3	Very high	96.8	Very high	6 Å²	6	24.8 Å²	24.8	3%	0.031	10%	0.104	C	C	.	.	H	α-helix	trans	-64.2	-40	171	-69.5	174	0	0	0	111.7	L804 A807 L822 E823 W824 N829 R830 F845 F849 I863 L944	L804-L826 HydrophobicContact CD2-CD2 3.78Å; A807-L826 HydrophobicContact CB-CD2 4.38Å; L822-L826 HydrophobicContact CD1-CD1 3.93Å; L822-L826 HydrophobicContact CD1-CD2 4.42Å; L822-L826 HydrophobicContact CD1-CG 3.92Å; L822-L826 HydrophobicContact CD2-CD1 4.49Å; L822-L826 HydrophobicContact CG-CD1 3.9Å; L822-L826 HydrophobicContact CG-CG 4.29Å; L822-L826 WeakPolarHBondContact O-CG 3.45Å; L822-L826 PolarHBondContact O-N 3.23Å; E823-L826 WeakPolarHBondContact O-CB 3.17Å; E823-L826 PolarHBondContact O-N 2.99Å; W824-L826 VanDerWaalsContact C-N 3.34Å; L826-N829 CarbonylContact O-C 3.52Å; L826-N829 WeakPolarHBondContact O-CB 3.38Å; L826-N829 PolarHBondContact O-N 3.28Å; L826-R830 PolarHBondContact O-N 3.26Å; L826-F845 WeakPolarHBondContact O-CZ 3.41Å; L826-F849 HydrophobicContact CD1-CD2 4.37Å; L826-F849 HydrophobicContact CD1-CE2 3.58Å; L826-F849 HydrophobicContact CD1-CZ 4.12Å; L826-F849 HydrophobicContact CD2-CD2 3.82Å; L826-F849 HydrophobicContact CD2-CE2 3.77Å; L826-F849 HydrophobicContact CG-CE2 4.34Å; L826-I863 HydrophobicContact CD1-CD1 4.38Å; L826-L944 HydrophobicContact CD1-CD2 4Å
827	E	96.8	Very high	96.8	Very high	55 Å²	55	27 Å²	27	26%	0.257	12%	0.119	S	C	.	.	H	α-helix	trans	-69.5	-32.8	176.8	-168.4	55.2	-151	0	0	112.7	L746 E823 W824 R830 L831	L746-E827 HydrophobicContact CD1-CG 4.31Å; E823-E827 PolarHBondContact O-N 2.88Å; W824-E827 PolarHBondContact O-N 3.46Å; E827-R830 WeakPolarHBondContact O-CB 3.29Å; E827-R830 PolarHBondContact O-N 3.38Å; E827-R830 IonicContact OE1-NE 3.89Å; E827-R830 VanDerWaalsContact OE2-CD 3.26Å; E827-R830 WeakPolarHBondContact OE2-CD 3.45Å; E827-R830 IonicContact OE2-CZ 3.21Å; E827-R830 IonicContact OE2-NE 2.64Å; E827-R830 PolarHBondContact OE2-NE 3.49Å; E827-R830 IonicContact OE2-NH2 2.67Å; E827-L831 PolarHBondContact O-N 2.87Å
828	I	97.5	Very high	96.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66.3	-40.7	170.2	-71.6	165.3	0	0	0	111	K739 A742 L746 W824 L825 R830 L831 T832 Y913 Y922	K739-I828 HydrophobicContact CD-CG2 3.83Å; A742-I828 HydrophobicContact CB-CG2 4.29Å; L746-I828 HydrophobicContact CB-CG1 4.39Å; L746-I828 HydrophobicContact CD1-CB 4.46Å; L746-I828 HydrophobicContact CD1-CG1 3.66Å; W824-I828 WeakPolarHBondContact O-CG1 3.4Å; W824-I828 PolarHBondContact O-N 3.37Å; L825-I828 PolarHBondContact O-N 3.43Å; I828-R830 VanDerWaalsContact C-N 3.33Å; I828-L831 PolarHBondContact O-N 3.18Å; I828-T832 WeakPolarHBondContact O-CB 3.44Å; I828-T832 PolarHBondContact O-N 3.23Å; I828-T832 PolarHBondContact O-OG1 3.29Å; I828-Y913 HydrophobicContact CD1-CD1 3.49Å; I828-Y913 VanDerWaalsContact CD1-CD1 3.49Å; I828-Y913 HydrophobicContact CD1-CE1 3.95Å; I828-Y922 HydrophobicContact CD1-CD1 4.47Å; I828-Y922 HydrophobicContact CD1-CD2 4.31Å; I828-Y922 HydrophobicContact CD1-CE1 3.9Å; I828-Y922 HydrophobicContact CD1-CE2 3.75Å; I828-Y922 VanDerWaalsContact CD1-CZ 3.49Å
829	N	98.1	Very high	96.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.7	-39.2	170.8	-75.7	-49.1	0	0	0	111.5	K739 M800 S803 L804 L825 L826 T832 H833 F845	K739-N829 WeakPolarHBondContact CE-OD1 3.49Å; K739-N829 PolarHBondContact NZ-OD1 3.2Å; M800-N829 HydrophobicContact CE-CB 4.34Å; S803-N829 WeakPolarHBondContact CB-OD1 3.27Å; S803-N829 PolarHBondContact O-ND2 3.34Å; L804-N829 HydrophobicContact CD2-CB 3.81Å; L825-N829 PolarHBondContact O-N 3.03Å; L825-N829 PolarHBondContact O-ND2 2.87Å; L826-N829 CarbonylContact O-C 3.52Å; L826-N829 WeakPolarHBondContact O-CB 3.38Å; L826-N829 PolarHBondContact O-N 3.28Å; N829-T832 WeakPolarHBondContact O-CB 3.46Å; N829-T832 PolarHBondContact O-N 3Å; N829-H833 WeakPolarHBondContact O-CB 3.45Å; N829-H833 PolarHBondContact O-N 2.82Å; N829-F845 HydrophobicContact CB-CE2 4Å; N829-F845 HydrophobicContact CB-CZ 4.41Å
830	R	98.1	Very high	96.4	Very high	92 Å²	92	36.2 Å²	36.2	35%	0.347	16%	0.159	S	C	.	.	H	α-helix	trans	-63.9	-42.3	176.4	-165.2	-168.6	-55	-82.9	-0.7	112.3	L826 E827 I828 R834 F845	L826-R830 PolarHBondContact O-N 3.26Å; E827-R830 WeakPolarHBondContact O-CB 3.29Å; E827-R830 PolarHBondContact O-N 3.38Å; E827-R830 IonicContact OE1-NE 3.89Å; E827-R830 VanDerWaalsContact OE2-CD 3.26Å; E827-R830 WeakPolarHBondContact OE2-CD 3.45Å; E827-R830 IonicContact OE2-CZ 3.21Å; E827-R830 IonicContact OE2-NE 2.64Å; E827-R830 PolarHBondContact OE2-NE 3.49Å; E827-R830 IonicContact OE2-NH2 2.67Å; I828-R830 VanDerWaalsContact C-N 3.33Å; R830-R834 WeakPolarHBondContact O-CB 3.44Å; R830-R834 PolarHBondContact O-N 3.32Å; R830-F845 HydrophobicContact CB-CD1 4.32Å; R830-F845 HydrophobicContact CB-CD2 4.19Å; R830-F845 HydrophobicContact CB-CE1 4Å; R830-F845 HydrophobicContact CB-CE2 3.87Å; R830-F845 HydrophobicContact CB-CG 4.4Å; R830-F845 HydrophobicContact CB-CZ 3.76Å; R830-F845 HydrophobicContact CG-CD1 3.97Å; R830-F845 HydrophobicContact CG-CD2 4.3Å; R830-F845 HydrophobicContact CG-CE1 4.1Å; R830-F845 HydrophobicContact CG-CE2 4.42Å; R830-F845 HydrophobicContact CG-CG 4.06Å; R830-F845 HydrophobicContact CG-CZ 4.32Å; R830-F845 VanDerWaalsContact N-CE2 3.29Å; R830-F845 VanDerWaalsContact NH1-CD1 3.26Å
831	L	97.7	Very high	96.2	Very high	20 Å²	20	42 Å²	42	11%	0.105	20%	0.195	C	C	.	.	H	α-helix	trans	-69.2	-37.2	174.5	-178.6	59.6	0	0	0	111.6	A742 V745 L746 E827 I828 R834 L835	A742-L831 HydrophobicContact CB-CB 4.04Å; A742-L831 HydrophobicContact CB-CD2 4.02Å; A742-L831 HydrophobicContact CB-CG 3.88Å; V745-L831 HydrophobicContact CB-CD2 4.01Å; V745-L831 HydrophobicContact CG1-CD2 3.81Å; L746-L831 HydrophobicContact CD1-CB 4.07Å; L746-L831 HydrophobicContact CD1-CD2 3.77Å; L746-L831 HydrophobicContact CD2-CD2 4.2Å; L746-L831 HydrophobicContact CG-CD2 3.64Å; E827-L831 PolarHBondContact O-N 2.87Å; I828-L831 PolarHBondContact O-N 3.18Å; L831-R834 PolarHBondContact O-N 3.09Å; L831-L835 HydrophobicContact CD1-CG 4.29Å; L831-L835 HydrophobicContact CG-CD1 4.27Å; L831-L835 HydrophobicContact CG-CG 4.45Å; L831-L835 VanDerWaalsContact O-CG 3.31Å; L831-L835 WeakPolarHBondContact O-CG 3.33Å; L831-L835 PolarHBondContact O-N 2.8Å
832	T	98	Very high	96.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.9	-49.2	174.7	-55.1	0	0	0	0	110.7	F735 K739 A742 M800 I828 N829 R834 L835 L836	F735-T832 HydrophobicContact CE2-CG2 4.16Å; K739-T832 HydrophobicContact CB-CG2 4.21Å; K739-T832 HydrophobicContact CD-CG2 4.34Å; K739-T832 WeakPolarHBondContact CD-OG1 3.42Å; A742-T832 VanDerWaalsContact CB-OG1 3.29Å; A742-T832 WeakPolarHBondContact CB-OG1 3.13Å; M800-T832 HydrophobicContact SD-CG2 4.06Å; I828-T832 WeakPolarHBondContact O-CB 3.44Å; I828-T832 PolarHBondContact O-N 3.23Å; I828-T832 PolarHBondContact O-OG1 3.29Å; N829-T832 WeakPolarHBondContact O-CB 3.46Å; N829-T832 PolarHBondContact O-N 3Å; T832-R834 PolarHBondContact O-N 2.94Å; T832-L835 PolarHBondContact O-N 3.14Å; T832-L836 HydrophobicContact CG2-CD1 3.82Å; T832-L836 WeakPolarHBondContact O-CD1 3.33Å; T832-L836 VanDerWaalsContact O-CG 3.26Å; T832-L836 WeakPolarHBondContact O-CG 3.37Å; T832-L836 PolarHBondContact O-N 3.14Å
833	H	98.3	Very high	96.1	Very high	23 Å²	23	46.1 Å²	46.1	11%	0.106	22%	0.217	C	C	.	.	H	α-helix	trans	-53.6	-51.4	172.2	177.6	-85.8	0	0	0	111.8	M800 N829 L835 L836 C837 D843 F845	M800-H833 HydrophobicContact CE-CB 3.9Å; M800-H833 HydrophobicContact SD-CB 4.45Å; N829-H833 WeakPolarHBondContact O-CB 3.45Å; N829-H833 PolarHBondContact O-N 2.82Å; H833-L835 VanDerWaalsContact C-N 3.3Å; H833-L835 PolarHBondContact O-N 3.2Å; H833-L836 PolarHBondContact O-N 3.12Å; H833-C837 PolarHBondContact CE1-SG 3.34Å; H833-C837 WeakPolarHBondContact O-CB 3.47Å; H833-C837 PolarHBondContact O-N 2.77Å; H833-C837 PolarHBondContact O-SG 3.09Å; H833-C837 VanDerWaalsContact O-SG 3.38Å; H833-D843 PolarHBondContact NE2-O 3.3Å; H833-F845 HydrophobicContact CB-CD2 3.87Å
834	R	97.4	Very high	96.1	Very high	139 Å²	139	48 Å²	48	53%	0.525	23%	0.234	S	C	.	.	H	α-helix	trans	-60.4	-35	179.3	-169.1	-173.9	-62.3	150.3	5.2	113.4	R830 L831 T832	R830-R834 WeakPolarHBondContact O-CB 3.44Å; R830-R834 PolarHBondContact O-N 3.32Å; L831-R834 PolarHBondContact O-N 3.09Å; T832-R834 PolarHBondContact O-N 2.94Å
835	L	96.2	Very high	96.3	Very high	22 Å²	22	43.8 Å²	43.8	12%	0.115	22%	0.218	C	C	.	.	H	α-helix	trans	-71.6	-44	175.9	-70.6	172.4	0	0	0	111.4	Y738 M741 A742 L831 T832 H833 K838	Y738-L835 HydrophobicContact CD1-CB 3.83Å; Y738-L835 HydrophobicContact CD1-CD1 4.43Å; Y738-L835 HydrophobicContact CE1-CB 4.45Å; M741-L835 HydrophobicContact CB-CD1 4.3Å; M741-L835 HydrophobicContact CG-CD1 4.05Å; M741-L835 HydrophobicContact SD-CD1 3.98Å; M741-L835 HydrophobicContact SD-CD2 4.39Å; A742-L835 HydrophobicContact CB-CD1 4.2Å; L831-L835 HydrophobicContact CD1-CG 4.29Å; L831-L835 HydrophobicContact CG-CD1 4.27Å; L831-L835 HydrophobicContact CG-CG 4.45Å; L831-L835 VanDerWaalsContact O-CG 3.31Å; L831-L835 WeakPolarHBondContact O-CG 3.33Å; L831-L835 PolarHBondContact O-N 2.8Å; T832-L835 PolarHBondContact O-N 3.14Å; H833-L835 VanDerWaalsContact C-N 3.3Å; H833-L835 PolarHBondContact O-N 3.2Å; L835-K838 WeakPolarHBondContact O-CB 3.19Å; L835-K838 PolarHBondContact O-N 2.79Å
836	L	96.6	Very high	96.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.4	-42.6	178	-68.5	164.6	0	0	0	112	I734 F735 Y738 I796 M800 T832 H833 K838 H839 M840 L842	I734-L836 HydrophobicContact CG2-CD2 4.38Å; F735-L836 HydrophobicContact CD2-CD1 4.11Å; F735-L836 HydrophobicContact CE2-CD1 4.19Å; Y738-L836 HydrophobicContact CD2-CD2 3.48Å; Y738-L836 VanDerWaalsContact CD2-CD2 3.48Å; Y738-L836 HydrophobicContact CD2-CG 4.44Å; Y738-L836 HydrophobicContact CE2-CD2 4.23Å; Y738-L836 HydrophobicContact CG-CD2 3.9Å; Y738-L836 HydrophobicContact CG-CG 4.41Å; I796-L836 HydrophobicContact CD1-CD2 4.05Å; I796-L836 HydrophobicContact CG2-CD1 3.59Å; I796-L836 HydrophobicContact CG2-CD2 4.02Å; I796-L836 HydrophobicContact CG2-CG 4.29Å; M800-L836 HydrophobicContact CG-CD1 4.23Å; M800-L836 HydrophobicContact SD-CD1 4.19Å; T832-L836 HydrophobicContact CG2-CD1 3.82Å; T832-L836 WeakPolarHBondContact O-CD1 3.33Å; T832-L836 VanDerWaalsContact O-CG 3.26Å; T832-L836 WeakPolarHBondContact O-CG 3.37Å; T832-L836 PolarHBondContact O-N 3.14Å; H833-L836 PolarHBondContact O-N 3.12Å; L836-K838 PolarHBondContact O-N 3.35Å; L836-H839 PolarHBondContact O-N 2.94Å; L836-M840 HydrophobicContact CB-CE 4.09Å; L836-M840 HydrophobicContact CB-SD 4.22Å; L836-M840 HydrophobicContact CD2-CE 3.71Å; L836-M840 HydrophobicContact CD2-SD 4.35Å; L836-M840 PolarHBondContact O-N 2.94Å; L836-L842 HydrophobicContact CB-CD1 3.92Å; L836-L842 HydrophobicContact CD1-CD1 4.26Å
837	C	96.3	Very high	96.2	Very high	50 Å²	50	49 Å²	49	34%	0.338	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-7	179.2	-73.8	0	0	0	0	115.2	H833 H839 M840	H833-C837 PolarHBondContact CE1-SG 3.34Å; H833-C837 WeakPolarHBondContact O-CB 3.47Å; H833-C837 PolarHBondContact O-N 2.77Å; H833-C837 PolarHBondContact O-SG 3.09Å; H833-C837 VanDerWaalsContact O-SG 3.38Å; C837-H839 VanDerWaalsContact C-N 3.25Å; C837-M840 WeakPolarHBondContact CA-O 3.33Å
838	K	94.9	Very high	96.2	Very high	150 Å²	150	46.3 Å²	46.3	65%	0.652	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-20.7	168.1	-64.7	-178.1	177.2	-175.9	0	113.3	L835 L836	L835-K838 WeakPolarHBondContact O-CB 3.19Å; L835-K838 PolarHBondContact O-N 2.79Å; L836-K838 PolarHBondContact O-N 3.35Å
839	H	91.9	Very high	96.2	Very high	38 Å²	38	47.7 Å²	47.7	18%	0.176	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.9	-12.1	-170.8	-51.9	-74	0	0	0	113.6	Y738 E771 L774 N789 L836 C837	Y738-H839 AromaticContact CZ-CD2 3.99Å; Y738-H839 PolarHBondContact OH-CD2 2.85Å; Y738-H839 PolarHBondContact OH-NE2 3.05Å; E771-H839 IonicContact OE1-CE1 3.65Å; L774-H839 HydrophobicContact CB-CB 4.03Å; L774-H839 HydrophobicContact CD1-CB 3.82Å; L774-H839 HydrophobicContact CG-CB 4.45Å; N789-H839 PolarHBondContact ND2-O 3.41Å; L836-H839 PolarHBondContact O-N 2.94Å; C837-H839 VanDerWaalsContact C-N 3.25Å
840	M	93.4	Very high	96.1	Very high	10 Å²	10	52.8 Å²	52.8	5%	0.049	27%	0.265	C	S	.	.	S	Bend	trans	-150.3	163.3	-178.7	72	-159.7	74	0	0	112.1	L774 T793 I796 L836 C837 L842	L774-M840 HydrophobicContact CD1-CE 4.33Å; L774-M840 HydrophobicContact CD2-CE 3.8Å; T793-M840 HydrophobicContact CG2-CB 4.38Å; T793-M840 HydrophobicContact CG2-CG 4.47Å; T793-M840 WeakPolarHBondContact OG1-CB 3.21Å; I796-M840 HydrophobicContact CB-SD 4.07Å; I796-M840 HydrophobicContact CD1-CE 3.8Å; I796-M840 HydrophobicContact CD1-SD 3.84Å; I796-M840 HydrophobicContact CG2-SD 3.71Å; L836-M840 HydrophobicContact CB-CE 4.09Å; L836-M840 HydrophobicContact CB-SD 4.22Å; L836-M840 HydrophobicContact CD2-CE 3.71Å; L836-M840 HydrophobicContact CD2-SD 4.35Å; L836-M840 PolarHBondContact O-N 2.94Å; C837-M840 WeakPolarHBondContact CA-O 3.33Å; M840-L842 HydrophobicContact CG-CD2 4.2Å; M840-L842 HydrophobicContact CG-CG 4.02Å; M840-L842 HydrophobicContact SD-CD2 4.19Å; M840-L842 HydrophobicContact SD-CG 4.42Å
841	T	93.9	Very high	96	Very high	126 Å²	126	53.5 Å²	53.5	77%	0.773	27%	0.272	S	S	*	.			trans	-97.5	106.8	176.8	-52	0	0	0	0	110	T793	T793-T841 WeakPolarHBondContact CG2-O 3.17Å
842	L	95.2	Very high	95.9	Very high	19 Å²	19	52.9 Å²	52.9	10%	0.099	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-102	160.6	168.9	-58.2	175.4	0	0	0	110.1	T793 I796 M800 L836 M840	T793-L842 HydrophobicContact CG2-CD2 3.95Å; I796-L842 HydrophobicContact CG2-CD1 4.32Å; I796-L842 HydrophobicContact CG2-CD2 4.23Å; M800-L842 HydrophobicContact CG-CD1 4.32Å; L836-L842 HydrophobicContact CB-CD1 3.92Å; L836-L842 HydrophobicContact CD1-CD1 4.26Å; M840-L842 HydrophobicContact CG-CD2 4.2Å; M840-L842 HydrophobicContact CG-CG 4.02Å; M840-L842 HydrophobicContact SD-CD2 4.19Å; M840-L842 HydrophobicContact SD-CG 4.42Å
843	D	95.2	Very high	95.9	Very high	82 Å²	82	53 Å²	53	44%	0.439	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-57.4	158.2	167.6	-54.3	-58.3	0	0	0	110.6	Y801 H833 F845 M848	Y801-D843 PolarHBondContact OH-OD2 3.18Å; H833-D843 PolarHBondContact NE2-O 3.3Å; D843-F845 PolarHBondContact O-N 3.24Å; D843-M848 HydrophobicContact CB-CG 3.89Å; D843-M848 HydrophobicContact CB-SD 4.47Å
844	S	95.3	Very high	95.8	Very high	72 Å²	72	57.5 Å²	57.5	50%	0.503	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-63.6	141.8	-179.2	80.9	0	0	0	0	110.4	D846 A847 M848	S844-D846 PolarHBondContact O-N 2.98Å; S844-D846 VanDerWaalsContact O-N 3.14Å; S844-A847 WeakPolarHBondContact O-CB 3.4Å; S844-A847 PolarHBondContact O-N 3.09Å; S844-A847 WeakPolarHBondContact OG-CB 3.02Å; S844-A847 PolarHBondContact OG-N 2.74Å; S844-M848 WeakPolarHBondContact O-CG 3.28Å; S844-M848 PolarHBondContact O-N 3.34Å
845	F	97.4	Very high	95.6	Very high	14 Å²	14	52.7 Å²	52.7	6%	0.061	28%	0.276	C	S	.	.	H	α-helix	trans	-56.1	-35.5	-178.8	-179.3	-90.7	0	0	0	112.4	M800 L804 L826 N829 R830 H833 D843 M848 F849	M800-F845 HydrophobicContact CE-CD2 4.39Å; M800-F845 HydrophobicContact CE-CE2 4.34Å; L804-F845 HydrophobicContact CD1-CE2 4.47Å; L804-F845 HydrophobicContact CD2-CE2 3.82Å; L804-F845 HydrophobicContact CD2-CZ 3.84Å; L826-F845 WeakPolarHBondContact O-CZ 3.41Å; N829-F845 HydrophobicContact CB-CE2 4Å; N829-F845 HydrophobicContact CB-CZ 4.41Å; R830-F845 HydrophobicContact CB-CD1 4.32Å; R830-F845 HydrophobicContact CB-CD2 4.19Å; R830-F845 HydrophobicContact CB-CE1 4Å; R830-F845 HydrophobicContact CB-CE2 3.87Å; R830-F845 HydrophobicContact CB-CG 4.4Å; R830-F845 HydrophobicContact CB-CZ 3.76Å; R830-F845 HydrophobicContact CG-CD1 3.97Å; R830-F845 HydrophobicContact CG-CD2 4.3Å; R830-F845 HydrophobicContact CG-CE1 4.1Å; R830-F845 HydrophobicContact CG-CE2 4.42Å; R830-F845 HydrophobicContact CG-CG 4.06Å; R830-F845 HydrophobicContact CG-CZ 4.32Å; R830-F845 VanDerWaalsContact N-CE2 3.29Å; R830-F845 VanDerWaalsContact NH1-CD1 3.26Å; H833-F845 HydrophobicContact CB-CD2 3.87Å; D843-F845 PolarHBondContact O-N 3.24Å; F845-M848 PolarHBondContact O-N 3.03Å; F845-F849 HydrophobicContact CD1-CB 4.46Å; F845-F849 HydrophobicContact CE1-CB 4.19Å; F845-F849 WeakPolarHBondContact O-CB 3.43Å; F845-F849 PolarHBondContact O-N 2.91Å
846	D	95.2	Very high	95.4	Very high	75 Å²	75	56.6 Å²	56.6	40%	0.401	30%	0.301	S	S	.	.	H	α-helix	trans	-67	-39.2	177.1	-167	61.9	0	0	0	112.2	S844 F849 R850	S844-D846 PolarHBondContact O-N 2.98Å; S844-D846 VanDerWaalsContact O-N 3.14Å; D846-F849 PolarHBondContact O-N 3.16Å; D846-R850 WeakPolarHBondContact O-CB 3.45Å; D846-R850 VanDerWaalsContact O-CG 3.23Å; D846-R850 WeakPolarHBondContact O-CG 3.5Å; D846-R850 PolarHBondContact O-N 2.96Å; D846-R850 IonicContact OD1-NE 3.57Å; D846-R850 IonicContact OD1-NH2 3.52Å; D846-R850 IonicContact OD2-CZ 2.68Å; D846-R850 IonicContact OD2-NE 3.8Å; D846-R850 PolarHBondContact OD2-NE 2.91Å; D846-R850 IonicContact OD2-NH2 3.3Å; D846-R850 PolarHBondContact OD2-NH2 3.29Å
847	A	96.2	Very high	95.1	Very high	41 Å²	41	62.7 Å²	62.7	34%	0.339	34%	0.343	S	S	.	.	H	α-helix	trans	-63.6	-49.8	173.3	0	0	0	0	0	111.3	S844 F849 R850 E851	S844-A847 WeakPolarHBondContact O-CB 3.4Å; S844-A847 PolarHBondContact O-N 3.09Å; S844-A847 WeakPolarHBondContact OG-CB 3.02Å; S844-A847 PolarHBondContact OG-N 2.74Å; A847-F849 VanDerWaalsContact C-N 3.3Å; A847-F849 PolarHBondContact O-N 3.49Å; A847-R850 PolarHBondContact O-N 3.36Å; A847-E851 WeakPolarHBondContact O-CB 3.39Å; A847-E851 PolarHBondContact O-N 2.8Å
848	M	97.7	Very high	94.9	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-60.3	-40.2	178.5	-56.5	-175.3	94.9	0	0	112	M800 Y801 L804 D843 S844 F845 A852	M800-M848 HydrophobicContact CB-CE 3.58Å; M800-M848 HydrophobicContact CB-SD 4.21Å; Y801-M848 HydrophobicContact CD1-CB 4.38Å; Y801-M848 HydrophobicContact CD1-CE 4.49Å; Y801-M848 HydrophobicContact CD2-CE 3.49Å; Y801-M848 VanDerWaalsContact CD2-CE 3.49Å; Y801-M848 HydrophobicContact CE1-CB 3.93Å; Y801-M848 HydrophobicContact CE1-CE 4.39Å; Y801-M848 HydrophobicContact CE1-CG 4.15Å; Y801-M848 HydrophobicContact CE2-CE 3.37Å; Y801-M848 HydrophobicContact CE2-CG 4.37Å; Y801-M848 HydrophobicContact CG-CE 4.06Å; L804-M848 HydrophobicContact CD1-CB 3.66Å; D843-M848 HydrophobicContact CB-CG 3.89Å; D843-M848 HydrophobicContact CB-SD 4.47Å; S844-M848 WeakPolarHBondContact O-CG 3.28Å; S844-M848 PolarHBondContact O-N 3.34Å; F845-M848 PolarHBondContact O-N 3.03Å; M848-A852 WeakPolarHBondContact O-CB 3.21Å; M848-A852 PolarHBondContact O-N 2.97Å
849	F	97.2	Very high	94.7	Very high	29 Å²	29	58.8 Å²	58.8	13%	0.127	34%	0.336	C	S	.	.	H	α-helix	trans	-68.1	-47	177.5	171.3	-113	0	0	0	112	I808 L826 F845 D846 A847 E851 A852 N853 I863	I808-F849 HydrophobicContact CD1-CD2 4.5Å; I808-F849 HydrophobicContact CD1-CE2 4.23Å; L826-F849 HydrophobicContact CD1-CD2 4.37Å; L826-F849 HydrophobicContact CD1-CE2 3.58Å; L826-F849 HydrophobicContact CD1-CZ 4.12Å; L826-F849 HydrophobicContact CD2-CD2 3.82Å; L826-F849 HydrophobicContact CD2-CE2 3.77Å; L826-F849 HydrophobicContact CG-CE2 4.34Å; F845-F849 HydrophobicContact CD1-CB 4.46Å; F845-F849 HydrophobicContact CE1-CB 4.19Å; F845-F849 WeakPolarHBondContact O-CB 3.43Å; F845-F849 PolarHBondContact O-N 2.91Å; D846-F849 PolarHBondContact O-N 3.16Å; A847-F849 VanDerWaalsContact C-N 3.3Å; A847-F849 PolarHBondContact O-N 3.49Å; F849-E851 VanDerWaalsContact C-N 3.31Å; F849-E851 PolarHBondContact O-N 2.77Å; F849-A852 PolarHBondContact O-N 3.39Å; F849-N853 HydrophobicContact CE2-CB 4.48Å; F849-N853 WeakPolarHBondContact O-CB 3.3Å; F849-N853 PolarHBondContact O-N 3.41Å; F849-I863 HydrophobicContact CE2-CD1 3.7Å; F849-I863 HydrophobicContact CZ-CD1 3.63Å
850	R	96	Very high	94.7	Very high	106 Å²	106	61 Å²	61	40%	0.4	34%	0.344	S	S	.	.	H	α-helix	trans	-60.3	-42.4	176.4	-75.2	176.2	-170.4	-88.5	-6.6	111.4	D846 A847 N853 H854 N855 V856	D846-R850 WeakPolarHBondContact O-CB 3.45Å; D846-R850 VanDerWaalsContact O-CG 3.23Å; D846-R850 WeakPolarHBondContact O-CG 3.5Å; D846-R850 PolarHBondContact O-N 2.96Å; D846-R850 IonicContact OD1-NE 3.57Å; D846-R850 IonicContact OD1-NH2 3.52Å; D846-R850 IonicContact OD2-CZ 2.68Å; D846-R850 IonicContact OD2-NE 3.8Å; D846-R850 PolarHBondContact OD2-NE 2.91Å; D846-R850 IonicContact OD2-NH2 3.3Å; D846-R850 PolarHBondContact OD2-NH2 3.29Å; A847-R850 PolarHBondContact O-N 3.36Å; R850-N853 CarbonylContact O-C 3.54Å; R850-N853 PolarHBondContact O-N 3.34Å; R850-H854 CarbonylContact O-C 3.58Å; R850-H854 PolarHBondContact O-N 2.84Å; R850-N855 PolarHBondContact O-N 3.06Å; R850-V856 HydrophobicContact CB-CG2 3.63Å
851	E	96.5	Very high	94.7	Very high	107 Å²	107	60.5 Å²	60.5	50%	0.5	34%	0.341	S	S	.	.	H	α-helix	trans	-62.7	-51.1	177.6	-175.3	174.2	163.1	0	0	111.3	Y801 A847 F849 N853 H854 V856	Y801-E851 HydrophobicContact CE1-CB 4.05Å; Y801-E851 HydrophobicContact CE1-CG 4.11Å; Y801-E851 WeakPolarHBondContact CE1-OE2 3.43Å; Y801-E851 PolarHBondContact OH-OE2 3Å; A847-E851 WeakPolarHBondContact O-CB 3.39Å; A847-E851 PolarHBondContact O-N 2.8Å; F849-E851 VanDerWaalsContact C-N 3.31Å; F849-E851 PolarHBondContact O-N 2.77Å; E851-N853 PolarHBondContact O-N 2.93Å; E851-H854 WeakPolarHBondContact O-CA 3.45Å; E851-H854 PolarHBondContact O-CD2 3.19Å; E851-H854 PolarHBondContact O-N 3.06Å; E851-V856 HydrophobicContact CB-CG2 4.31Å
852	A	96.5	Very high	94.9	Very high	8 Å²	8	55.7 Å²	55.7	7%	0.066	31%	0.309	C	S	.	.	H	α-helix	trans	-61.2	-31.5	176.1	0	0	0	0	0	113.3	L804 I808 M848 F849 H854 R862	L804-A852 HydrophobicContact CB-CB 3.71Å; I808-A852 HydrophobicContact CD1-CB 4.26Å; M848-A852 WeakPolarHBondContact O-CB 3.21Å; M848-A852 PolarHBondContact O-N 2.97Å; F849-A852 PolarHBondContact O-N 3.39Å; A852-H854 VanDerWaalsContact C-N 3.27Å; A852-R862 WeakPolarHBondContact O-CD 3.4Å; A852-R862 PolarHBondContact O-NH1 3Å
853	N	96.6	Very high	95	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.016	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	2.6	175	-164.7	20.8	0	0	0	112.9	I808 F849 R850 E851 N855 G861 R862 I863	I808-N853 HydrophobicContact CD1-CB 3.7Å; F849-N853 HydrophobicContact CE2-CB 4.48Å; F849-N853 WeakPolarHBondContact O-CB 3.3Å; F849-N853 PolarHBondContact O-N 3.41Å; R850-N853 CarbonylContact O-C 3.54Å; R850-N853 PolarHBondContact O-N 3.34Å; E851-N853 PolarHBondContact O-N 2.93Å; N853-N855 HydrophobicContact CB-CB 4.36Å; N853-N855 PolarHBondContact O-N 2.81Å; N853-N855 VanDerWaalsContact O-N 3.14Å; N853-G861 CarbonylContact O-C 3.46Å; N853-G861 WeakPolarHBondContact O-CA 3.48Å; N853-R862 PolarHBondContact O-N 2.7Å; N853-R862 WeakPolarHBondContact OD1-CB 3.46Å; N853-R862 PolarHBondContact OD1-N 3.33Å; N853-I863 WeakPolarHBondContact OD1-CG1 3.25Å; N853-I863 PolarHBondContact OD1-N 2.74Å
854	H	96	Very high	95	Very high	116 Å²	116	51.3 Å²	51.3	54%	0.537	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	23	-173.3	-58.3	167	0	0	0	114.9	R850 E851 A852 V856 A858 R862	R850-H854 CarbonylContact O-C 3.58Å; R850-H854 PolarHBondContact O-N 2.84Å; E851-H854 WeakPolarHBondContact O-CA 3.45Å; E851-H854 PolarHBondContact O-CD2 3.19Å; E851-H854 PolarHBondContact O-N 3.06Å; A852-H854 VanDerWaalsContact C-N 3.27Å; H854-V856 PolarHBondContact O-N 2.92Å; H854-A858 WeakPolarHBondContact O-CB 3.47Å; H854-R862 HydrophobicContact CB-CG 4.29Å
855	N	93.9	Very high	95	Very high	38 Å²	38	52.6 Å²	52.6	20%	0.203	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	38.3	-174.3	-158.8	42.1	0	0	0	113	R850 N853 A858 Y860 G861	R850-N855 PolarHBondContact O-N 3.06Å; N853-N855 HydrophobicContact CB-CB 4.36Å; N853-N855 PolarHBondContact O-N 2.81Å; N853-N855 VanDerWaalsContact O-N 3.14Å; N855-A858 PolarHBondContact OD1-O 3.01Å; N855-Y860 PolarHBondContact OD1-N 3.19Å; N855-G861 PolarHBondContact OD1-N 3.28Å; N855-G861 VanDerWaalsContact OD1-N 3.13Å
856	V	92.1	Very high	95	Very high	105 Å²	105	52.8 Å²	52.8	64%	0.636	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	-51.6	175.4	180	0	0	0	0	110.4	R850 E851 H854	R850-V856 HydrophobicContact CB-CG2 3.63Å; E851-V856 HydrophobicContact CB-CG2 4.31Å; H854-V856 PolarHBondContact O-N 2.92Å
857	S	90.9	Very high	95.1	Very high	127 Å²	127	49.2 Å²	49.2	89%	0.888	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-5	177.1	53.2	0	0	0	0	113.7
858	A	90.3	Very high	95	Very high	43 Å²	43	50 Å²	50	36%	0.355	26%	0.264	S	S	.	.	S	Bend	trans	-122.3	151.2	175.5	0	0	0	0	0	110.7	H854 N855 Y860	H854-A858 WeakPolarHBondContact O-CB 3.47Å; N855-A858 PolarHBondContact OD1-O 3.01Å; A858-Y860 VanDerWaalsContact C-N 3.32Å; A858-Y860 PolarHBondContact O-N 3.11Å
859	P	90.8	Very high	94.9	Very high	76 Å²	76	56.4 Å²	56.4	49%	0.494	29%	0.289	S	S	.	.	S	Bend	trans	-76.2	-16.2	-178.9	30.3	-35.9	0	0	0	114.2	Q948	P859-Q948 PolarHBondContact O-NE2 3.29Å; P859-Q948 VanDerWaalsContact O-NE2 3.07Å
860	Y	92.2	Very high	94.9	Very high	84 Å²	84	55 Å²	55	33%	0.329	28%	0.283	S	S	.	.	S	Bend	trans	-134	127.1	-178.1	-47	-60.2	0	0	0	109.1	N855 A858 Q948 V952	N855-Y860 PolarHBondContact OD1-N 3.19Å; A858-Y860 VanDerWaalsContact C-N 3.32Å; A858-Y860 PolarHBondContact O-N 3.11Å; Y860-Q948 HydrophobicContact CD1-CG 4.26Å; Y860-Q948 HydrophobicContact CE1-CG 3.82Å; Y860-V952 HydrophobicContact CD1-CB 4.37Å; Y860-V952 HydrophobicContact CD1-CG1 3.75Å; Y860-V952 HydrophobicContact CE1-CB 3.7Å; Y860-V952 HydrophobicContact CE1-CG1 3.57Å; Y860-V952 HydrophobicContact CE1-CG2 4.13Å; Y860-V952 HydrophobicContact CE2-CB 4.5Å; Y860-V952 HydrophobicContact CE2-CG2 4.02Å; Y860-V952 HydrophobicContact CG-CG1 4.38Å
861	G	94.1	Very high	94.8	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.264	C	S	.	.			trans	-77.6	163.2	177.4	0	0	0	0	0	113.4	N853 N855 I863 T864 L865	N853-G861 CarbonylContact O-C 3.46Å; N853-G861 WeakPolarHBondContact O-CA 3.48Å; N855-G861 PolarHBondContact OD1-N 3.28Å; N855-G861 VanDerWaalsContact OD1-N 3.13Å; G861-I863 PolarHBondContact O-N 3.3Å; G861-T864 WeakPolarHBondContact O-CB 3.33Å; G861-T864 PolarHBondContact O-N 2.76Å; G861-L865 WeakPolarHBondContact O-CG 3.48Å; G861-L865 PolarHBondContact O-N 3.37Å; G861-L865 VanDerWaalsContact O-N 3.08Å
862	R	96.8	Very high	94.7	Very high	25 Å²	25	47.2 Å²	47.2	9%	0.094	25%	0.252	C	S	.	.	H	α-helix	trans	-41.7	-47.3	171.6	-73.2	168.4	71.6	178.2	7.2	112.9	D805 I808 S809 E812 A852 N853 H854 T864 L865 H866	D805-R862 IonicContact OD1-CZ 2.76Å; D805-R862 IonicContact OD1-NH1 2.6Å; D805-R862 PolarHBondContact OD1-NH1 3.49Å; D805-R862 IonicContact OD1-NH2 3.21Å; I808-R862 HydrophobicContact CG2-CB 3.69Å; I808-R862 HydrophobicContact CG2-CG 4.47Å; S809-R862 PolarHBondContact OG-NH2 3.32Å; E812-R862 VanDerWaalsContact OE1-CB 3.3Å; E812-R862 WeakPolarHBondContact OE1-CB 3.13Å; E812-R862 WeakPolarHBondContact OE1-CG 3.35Å; E812-R862 IonicContact OE1-CZ 3.4Å; E812-R862 IonicContact OE1-NE 3.47Å; E812-R862 PolarHBondContact OE1-NE 2.74Å; E812-R862 IonicContact OE1-NH2 3.61Å; E812-R862 IonicContact OE2-CZ 3.54Å; E812-R862 IonicContact OE2-NE 2.65Å; E812-R862 PolarHBondContact OE2-NE 3.46Å; E812-R862 IonicContact OE2-NH2 3.81Å; E812-R862 PolarHBondContact OE2-NH2 3.14Å; A852-R862 WeakPolarHBondContact O-CD 3.4Å; A852-R862 PolarHBondContact O-NH1 3Å; N853-R862 PolarHBondContact O-N 2.7Å; N853-R862 WeakPolarHBondContact OD1-CB 3.46Å; N853-R862 PolarHBondContact OD1-N 3.33Å; H854-R862 HydrophobicContact CB-CG 4.29Å; R862-T864 PolarHBondContact O-N 3.21Å; R862-L865 PolarHBondContact O-N 3.29Å; R862-H866 WeakPolarHBondContact O-CB 3.26Å; R862-H866 PolarHBondContact O-N 3.08Å
863	I	97.3	Very high	94.6	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.7	-45.7	179.5	-61.9	164.7	0	0	0	111.6	I808 F811 L822 L826 F849 N853 G861 L865 H866 V867 L944 L945	I808-I863 HydrophobicContact CD1-CD1 4.24Å; I808-I863 HydrophobicContact CG1-CD1 4.15Å; I808-I863 HydrophobicContact CG1-CG1 4.28Å; I808-I863 HydrophobicContact CG2-CG1 4.15Å; F811-I863 HydrophobicContact CD1-CG1 4.46Å; F811-I863 HydrophobicContact CD1-CG2 4.33Å; F811-I863 HydrophobicContact CE1-CG2 3.93Å; L822-I863 HydrophobicContact CD2-CD1 3.88Å; L822-I863 HydrophobicContact CD2-CG1 3.89Å; L822-I863 HydrophobicContact CD2-CG2 4.13Å; L826-I863 HydrophobicContact CD1-CD1 4.38Å; F849-I863 HydrophobicContact CE2-CD1 3.7Å; F849-I863 HydrophobicContact CZ-CD1 3.63Å; N853-I863 WeakPolarHBondContact OD1-CG1 3.25Å; N853-I863 PolarHBondContact OD1-N 2.74Å; G861-I863 PolarHBondContact O-N 3.3Å; I863-L865 VanDerWaalsContact C-N 3.35Å; I863-L865 PolarHBondContact O-N 2.89Å; I863-H866 PolarHBondContact O-N 3.36Å; I863-V867 WeakPolarHBondContact O-CB 3.43Å; I863-V867 WeakPolarHBondContact O-CG2 3.35Å; I863-V867 PolarHBondContact O-N 3.28Å; I863-L944 HydrophobicContact CG2-CB 4.17Å; I863-L944 HydrophobicContact CG2-CD1 4.3Å; I863-L945 HydrophobicContact CG2-CD1 4.5Å
864	T	96.1	Very high	94.5	Very high	9 Å²	9	50.9 Å²	50.9	6%	0.055	27%	0.267	C	S	.	.	H	α-helix	trans	-63.5	-42	178.4	-57.9	0	0	0	0	111.3	G861 R862 F868 L945 V952	G861-T864 WeakPolarHBondContact O-CB 3.33Å; G861-T864 PolarHBondContact O-N 2.76Å; R862-T864 PolarHBondContact O-N 3.21Å; T864-F868 PolarHBondContact O-N 2.92Å; T864-F868 VanDerWaalsContact O-N 3.09Å; T864-L945 HydrophobicContact CG2-CD2 4.47Å; T864-L945 HydrophobicContact CG2-CG 4.1Å; T864-V952 HydrophobicContact CG2-CG1 4.03Å
865	L	95.6	Very high	94.5	Very high	99 Å²	99	45.4 Å²	45.4	52%	0.518	24%	0.241	S	C	.	.	H	α-helix	trans	-66.1	-43.2	178.4	-63	173.3	0	0	0	111.5	G861 R862 I863 F868 W869	G861-L865 WeakPolarHBondContact O-CG 3.48Å; G861-L865 PolarHBondContact O-N 3.37Å; G861-L865 VanDerWaalsContact O-N 3.08Å; R862-L865 PolarHBondContact O-N 3.29Å; I863-L865 VanDerWaalsContact C-N 3.35Å; I863-L865 PolarHBondContact O-N 2.89Å; L865-F868 PolarHBondContact O-N 3.46Å; L865-W869 WeakPolarHBondContact O-CB 3.49Å; L865-W869 PolarHBondContact O-N 3.27Å
866	H	96.5	Very high	94.6	Very high	18 Å²	18	43.7 Å²	43.7	8%	0.083	23%	0.232	C	C	.	.	H	α-helix	trans	-68.7	-37.8	177	-166.4	59.3	0	0	0	112.7	F811 E812 E814 R862 I863 F868 W869 E870	F811-H866 HydrophobicContact CD1-CB 4.25Å; F811-H866 AromaticContact CD1-CD2 3.72Å; F811-H866 HydrophobicContact CE1-CB 3.93Å; F811-H866 AromaticContact CE1-CD2 3.57Å; F811-H866 AromaticContact CZ-CD2 3.76Å; F811-H866 PolarHBondContact O-CD2 3.46Å; F811-H866 VanDerWaalsContact O-CD2 3.26Å; F811-H866 PolarHBondContact O-NE2 2.97Å; E812-H866 HydrophobicContact CG-CB 4.31Å; E812-H866 PolarHBondContact O-CE1 3.19Å; E814-H866 PolarHBondContact O-NE2 2.82Å; R862-H866 WeakPolarHBondContact O-CB 3.26Å; R862-H866 PolarHBondContact O-N 3.08Å; I863-H866 PolarHBondContact O-N 3.36Å; H866-F868 VanDerWaalsContact C-N 3.33Å; H866-F868 PolarHBondContact O-N 3.07Å; H866-W869 WeakPolarHBondContact O-CB 3.46Å; H866-W869 PolarHBondContact O-N 2.87Å; H866-E870 IonicContact CE1-OE1 2.76Å; H866-E870 WeakPolarHBondContact NE2-CG 3.42Å; H866-E870 IonicContact NE2-OE1 2.99Å; H866-E870 WeakPolarHBondContact O-CB 3.21Å; H866-E870 WeakPolarHBondContact O-CG 3.46Å; H866-E870 PolarHBondContact O-N 3.32Å
867	V	96.9	Very high	94.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.5	-45.8	171.4	166.3	0	0	0	0	110.7	F811 L816 I819 I863 L871 I941 L945	F811-V867 HydrophobicContact CE1-CG2 4.02Å; F811-V867 HydrophobicContact CZ-CG2 3.77Å; L816-V867 HydrophobicContact CD1-CB 4.41Å; L816-V867 HydrophobicContact CD1-CG1 4.16Å; L816-V867 HydrophobicContact CD1-CG2 3.99Å; I819-V867 HydrophobicContact CD1-CG2 3.71Å; I863-V867 WeakPolarHBondContact O-CB 3.43Å; I863-V867 WeakPolarHBondContact O-CG2 3.35Å; I863-V867 PolarHBondContact O-N 3.28Å; V867-L871 HydrophobicContact CG1-CD1 3.89Å; V867-L871 HydrophobicContact CG1-CG 4.38Å; V867-L871 WeakPolarHBondContact O-CB 3.47Å; V867-L871 WeakPolarHBondContact O-CG 3.47Å; V867-L871 PolarHBondContact O-N 3.17Å; V867-I941 HydrophobicContact CG1-CG2 4.17Å; V867-L945 HydrophobicContact CB-CD1 4.25Å; V867-L945 HydrophobicContact CG1-CD1 4.41Å; V867-L945 HydrophobicContact CG1-CD2 4.05Å; V867-L945 HydrophobicContact CG2-CD1 4Å
868	F	95.8	Very high	94.9	Very high	56 Å²	56	32.9 Å²	32.9	25%	0.246	16%	0.161	C	C	.	.	H	α-helix	trans	-64.2	-41.7	176	174.9	-110.9	0	0	0	112.9	T864 L865 H866 L871 N872 V953 E956 I960	T864-F868 PolarHBondContact O-N 2.92Å; T864-F868 VanDerWaalsContact O-N 3.09Å; L865-F868 PolarHBondContact O-N 3.46Å; H866-F868 VanDerWaalsContact C-N 3.33Å; H866-F868 PolarHBondContact O-N 3.07Å; F868-L871 WeakPolarHBondContact O-CB 3.46Å; F868-L871 PolarHBondContact O-N 3.3Å; F868-N872 HydrophobicContact CZ-CB 4.41Å; F868-N872 WeakPolarHBondContact O-CB 3.5Å; F868-N872 PolarHBondContact O-N 3.4Å; F868-V953 HydrophobicContact CB-CG2 4.35Å; F868-E956 HydrophobicContact CD2-CB 3.84Å; F868-E956 HydrophobicContact CD2-CG 4.39Å; F868-E956 HydrophobicContact CE1-CB 4.34Å; F868-E956 HydrophobicContact CE1-CG 4.39Å; F868-E956 HydrophobicContact CE2-CB 3.23Å; F868-E956 HydrophobicContact CE2-CG 4.05Å; F868-E956 HydrophobicContact CZ-CB 3.54Å; F868-E956 HydrophobicContact CZ-CG 4.05Å; F868-I960 HydrophobicContact CE2-CD1 3.79Å; F868-I960 HydrophobicContact CZ-CD1 4.05Å
869	W	95.3	Very high	95.2	Very high	135 Å²	135	31 Å²	31	51%	0.511	15%	0.145	S	C	.	.	H	α-helix	trans	-57.4	-53.7	176.3	-178.6	-87.1	0	0	0	111.7	L865 H866 L871 N872 F873	L865-W869 WeakPolarHBondContact O-CB 3.49Å; L865-W869 PolarHBondContact O-N 3.27Å; H866-W869 WeakPolarHBondContact O-CB 3.46Å; H866-W869 PolarHBondContact O-N 2.87Å; W869-L871 VanDerWaalsContact C-N 3.28Å; W869-L871 PolarHBondContact O-N 2.96Å; W869-N872 PolarHBondContact O-N 3Å; W869-F873 AromaticContact CD2-CD2 3.6Å; W869-F873 HydrophobicContact CD2-CD2 3.6Å; W869-F873 AromaticContact CD2-CE2 3.64Å; W869-F873 HydrophobicContact CD2-CE2 3.64Å; W869-F873 AromaticContact CE2-CD2 3.57Å; W869-F873 AromaticContact CE2-CE2 3.76Å; W869-F873 HydrophobicContact CE3-CD2 4.06Å; W869-F873 AromaticContact CE3-CE2 3.59Å; W869-F873 HydrophobicContact CE3-CE2 3.59Å; W869-F873 AromaticContact CG-CD2 3.92Å; W869-F873 HydrophobicContact CG-CD2 3.92Å; W869-F873 HydrophobicContact CG-CE2 4.35Å; W869-F873 HydrophobicContact CH2-CD2 4.4Å; W869-F873 AromaticContact CH2-CE2 3.79Å; W869-F873 HydrophobicContact CH2-CE2 3.79Å; W869-F873 HydrophobicContact CH2-CZ 4.31Å; W869-F873 AromaticContact CZ2-CD2 3.99Å; W869-F873 HydrophobicContact CZ2-CD2 3.99Å; W869-F873 AromaticContact CZ2-CE2 3.84Å; W869-F873 HydrophobicContact CZ2-CE2 3.84Å; W869-F873 HydrophobicContact CZ3-CD2 4.44Å; W869-F873 AromaticContact CZ3-CE2 3.67Å; W869-F873 HydrophobicContact CZ3-CE2 3.67Å; W869-F873 HydrophobicContact CZ3-CZ 4.38Å; W869-F873 AromaticContact NE1-CD2 3.85Å; W869-F873 VanDerWaalsContact O-CD2 3.28Å; W869-F873 WeakPolarHBondContact O-CD2 3.41Å; W869-F873 PolarHBondContact O-N 3.3Å
870	E	95.8	Very high	95.5	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-64.5	-31.3	177.9	-72.1	-66.9	137.3	0	0	112.6	D815 L816 H866 D874 F875 R901	D815-E870 VanDerWaalsContact CA-OE2 3.32Å; D815-E870 WeakPolarHBondContact CA-OE2 3.24Å; L816-E870 HydrophobicContact CB-CB 4.09Å; H866-E870 IonicContact CE1-OE1 2.76Å; H866-E870 WeakPolarHBondContact NE2-CG 3.42Å; H866-E870 IonicContact NE2-OE1 2.99Å; H866-E870 WeakPolarHBondContact O-CB 3.21Å; H866-E870 WeakPolarHBondContact O-CG 3.46Å; H866-E870 PolarHBondContact O-N 3.32Å; E870-D874 PolarHBondContact O-N 2.85Å; E870-D874 VanDerWaalsContact O-N 3.07Å; E870-F875 PolarHBondContact O-N 3.15Å; E870-R901 IonicContact OE1-CZ 3.44Å; E870-R901 IonicContact OE1-NE 3.55Å; E870-R901 PolarHBondContact OE1-NE 2.9Å; E870-R901 IonicContact OE1-NH2 3.73Å; E870-R901 PolarHBondContact OE1-NH2 3.14Å; E870-R901 IonicContact OE2-CZ 2.69Å; E870-R901 IonicContact OE2-NE 3.39Å; E870-R901 IonicContact OE2-NH2 2.82Å; E870-R901 PolarHBondContact OE2-NH2 2.62Å
871	L	95.9	Very high	95.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.111	C	C	.	.	I	π-helix	trans	-62.7	-51.9	171.5	-75.7	170.4	0	0	0	111.2	L816 V867 F868 W869 F875 L876 V953 F1030	L816-L871 HydrophobicContact CD2-CD2 3.81Å; L816-L871 HydrophobicContact CD2-CG 4.37Å; V867-L871 HydrophobicContact CG1-CD1 3.89Å; V867-L871 HydrophobicContact CG1-CG 4.38Å; V867-L871 WeakPolarHBondContact O-CB 3.47Å; V867-L871 WeakPolarHBondContact O-CG 3.47Å; V867-L871 PolarHBondContact O-N 3.17Å; F868-L871 WeakPolarHBondContact O-CB 3.46Å; F868-L871 PolarHBondContact O-N 3.3Å; W869-L871 VanDerWaalsContact C-N 3.28Å; W869-L871 PolarHBondContact O-N 2.96Å; L871-F875 HydrophobicContact CD2-CB 3.84Å; L871-F875 HydrophobicContact CD2-CD1 3.48Å; L871-F875 VanDerWaalsContact CD2-CD1 3.48Å; L871-F875 HydrophobicContact CD2-CE1 4.19Å; L871-F875 HydrophobicContact CD2-CG 3.74Å; L871-L876 WeakPolarHBondContact O-CB 3.46Å; L871-L876 VanDerWaalsContact O-CG 3.26Å; L871-L876 WeakPolarHBondContact O-CG 3.44Å; L871-L876 PolarHBondContact O-N 3.27Å; L871-V953 HydrophobicContact CD1-CG1 3.55Å; L871-F1030 HydrophobicContact CD1-CD1 4.49Å; L871-F1030 HydrophobicContact CD1-CD2 4.4Å; L871-F1030 HydrophobicContact CD1-CE1 3.97Å; L871-F1030 HydrophobicContact CD1-CE2 3.89Å; L871-F1030 HydrophobicContact CD1-CZ 3.64Å; L871-F1030 HydrophobicContact CD2-CD2 3.51Å; L871-F1030 HydrophobicContact CD2-CE2 3.44Å; L871-F1030 VanDerWaalsContact CD2-CE2 3.44Å; L871-F1030 HydrophobicContact CD2-CG 4.25Å; L871-F1030 HydrophobicContact CD2-CZ 4.1Å; L871-F1030 HydrophobicContact CG-CE2 4.28Å
872	N	94.1	Very high	95.8	Very high	48 Å²	48	27.8 Å²	27.8	26%	0.257	13%	0.128	S	C	.	.	I	π-helix	trans	-66.5	-42.8	-176.9	-176.5	73.2	0	0	0	113.2	F868 W869 I960	F868-N872 HydrophobicContact CZ-CB 4.41Å; F868-N872 WeakPolarHBondContact O-CB 3.5Å; F868-N872 PolarHBondContact O-N 3.4Å; W869-N872 PolarHBondContact O-N 3Å; N872-I960 HydrophobicContact CB-CD1 4.24Å; N872-I960 WeakPolarHBondContact OD1-CD1 3.23Å
873	F	93.3	Very high	95.6	Very high	87 Å²	87	28 Å²	28	38%	0.382	14%	0.139	S	C	.	.	I	π-helix	trans	-98.3	-17.1	-170.4	-67.1	-68.4	0	0	0	115.6	W869 P899	W869-F873 AromaticContact CD2-CD2 3.6Å; W869-F873 HydrophobicContact CD2-CD2 3.6Å; W869-F873 AromaticContact CD2-CE2 3.64Å; W869-F873 HydrophobicContact CD2-CE2 3.64Å; W869-F873 AromaticContact CE2-CD2 3.57Å; W869-F873 AromaticContact CE2-CE2 3.76Å; W869-F873 HydrophobicContact CE3-CD2 4.06Å; W869-F873 AromaticContact CE3-CE2 3.59Å; W869-F873 HydrophobicContact CE3-CE2 3.59Å; W869-F873 AromaticContact CG-CD2 3.92Å; W869-F873 HydrophobicContact CG-CD2 3.92Å; W869-F873 HydrophobicContact CG-CE2 4.35Å; W869-F873 HydrophobicContact CH2-CD2 4.4Å; W869-F873 AromaticContact CH2-CE2 3.79Å; W869-F873 HydrophobicContact CH2-CE2 3.79Å; W869-F873 HydrophobicContact CH2-CZ 4.31Å; W869-F873 AromaticContact CZ2-CD2 3.99Å; W869-F873 HydrophobicContact CZ2-CD2 3.99Å; W869-F873 AromaticContact CZ2-CE2 3.84Å; W869-F873 HydrophobicContact CZ2-CE2 3.84Å; W869-F873 HydrophobicContact CZ3-CD2 4.44Å; W869-F873 AromaticContact CZ3-CE2 3.67Å; W869-F873 HydrophobicContact CZ3-CE2 3.67Å; W869-F873 HydrophobicContact CZ3-CZ 4.38Å; W869-F873 AromaticContact NE1-CD2 3.85Å; W869-F873 VanDerWaalsContact O-CD2 3.28Å; W869-F873 WeakPolarHBondContact O-CD2 3.41Å; W869-F873 PolarHBondContact O-N 3.3Å; F873-P899 HydrophobicContact CB-CB 4.42Å; F873-P899 HydrophobicContact CB-CG 4.21Å
874	D	95	Very high	95.3	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.18	C	C	.	.	I	π-helix	trans	-130.4	-53.4	-178.5	-164.2	12.6	0	0	0	113	E870 P877 N878 R890 P899 R901	E870-D874 PolarHBondContact O-N 2.85Å; E870-D874 VanDerWaalsContact O-N 3.07Å; D874-P877 WeakPolarHBondContact O-CD 3.35Å; D874-N878 VanDerWaalsContact O-CB 3.25Å; D874-N878 WeakPolarHBondContact O-CB 3.47Å; D874-N878 PolarHBondContact O-N 3.39Å; D874-N878 PolarHBondContact OD1-ND2 3.11Å; D874-R890 IonicContact OD1-CZ 3.98Å; D874-R890 IonicContact OD1-NH1 3.71Å; D874-R890 PolarHBondContact OD1-NH1 3.32Å; D874-R890 IonicContact OD1-NH2 2.77Å; D874-R890 IonicContact OD2-CZ 3.2Å; D874-R890 IonicContact OD2-NH1 3.08Å; D874-R890 PolarHBondContact OD2-NH1 3.23Å; D874-R890 IonicContact OD2-NH2 3.41Å; D874-R890 PolarHBondContact OD2-NH2 3.36Å; D874-P899 HydrophobicContact CB-CG 4.47Å; D874-R901 IonicContact OD2-CZ 2.68Å; D874-R901 IonicContact OD2-NH2 2.65Å; D874-R901 PolarHBondContact OD2-NH2 3.2Å
875	F	95.8	Very high	95.3	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	20%	0.199	C	C	.	.	I	π-helix	trans	-62.5	-55	-174.3	-179	-101	0	0	0	113.4	L816 E870 L871 Y879 F888 V933 F938 N1026 F1030	L816-F875 HydrophobicContact CD2-CB 4.29Å; L816-F875 HydrophobicContact CD2-CD2 4.18Å; L816-F875 HydrophobicContact CD2-CG 4.32Å; E870-F875 PolarHBondContact O-N 3.15Å; L871-F875 HydrophobicContact CD2-CB 3.84Å; L871-F875 HydrophobicContact CD2-CD1 3.48Å; L871-F875 VanDerWaalsContact CD2-CD1 3.48Å; L871-F875 HydrophobicContact CD2-CE1 4.19Å; L871-F875 HydrophobicContact CD2-CG 3.74Å; F875-Y879 HydrophobicContact CB-CD2 4.49Å; F875-Y879 HydrophobicContact CD2-CD1 4.4Å; F875-Y879 HydrophobicContact CD2-CD2 4.19Å; F875-Y879 HydrophobicContact CD2-CG 4.06Å; F875-Y879 HydrophobicContact CE2-CG 4.49Å; F875-Y879 WeakPolarHBondContact O-CB 3.31Å; F875-Y879 PolarHBondContact O-N 2.81Å; F875-F888 HydrophobicContact CE1-CE1 4.19Å; F875-F888 HydrophobicContact CE1-CZ 4.3Å; F875-F888 HydrophobicContact CE2-CB 4.15Å; F875-F888 AromaticContact CE2-CD1 3.9Å; F875-F888 HydrophobicContact CE2-CD1 3.9Å; F875-F888 AromaticContact CE2-CD2 3.92Å; F875-F888 HydrophobicContact CE2-CD2 3.92Å; F875-F888 HydrophobicContact CE2-CE1 4.23Å; F875-F888 HydrophobicContact CE2-CE2 4.27Å; F875-F888 AromaticContact CE2-CG 3.74Å; F875-F888 HydrophobicContact CE2-CG 3.74Å; F875-F888 HydrophobicContact CE2-CZ 4.41Å; F875-F888 AromaticContact CZ-CD1 3.69Å; F875-F888 HydrophobicContact CZ-CD1 3.69Å; F875-F888 AromaticContact CZ-CD2 3.82Å; F875-F888 HydrophobicContact CZ-CD2 3.82Å; F875-F888 AromaticContact CZ-CE1 3.53Å; F875-F888 HydrophobicContact CZ-CE1 3.53Å; F875-F888 AromaticContact CZ-CE2 3.69Å; F875-F888 HydrophobicContact CZ-CE2 3.69Å; F875-F888 AromaticContact CZ-CG 3.83Å; F875-F888 HydrophobicContact CZ-CG 3.83Å; F875-F888 AromaticContact CZ-CZ 3.54Å; F875-F888 HydrophobicContact CZ-CZ 3.54Å; F875-V933 HydrophobicContact CD2-CB 4.43Å; F875-V933 HydrophobicContact CD2-CG1 4.4Å; F875-V933 HydrophobicContact CD2-CG2 4.26Å; F875-V933 HydrophobicContact CE2-CB 3.94Å; F875-V933 HydrophobicContact CE2-CG1 3.78Å; F875-V933 HydrophobicContact CE2-CG2 4.28Å; F875-F938 HydrophobicContact CZ-CZ 4.46Å; F875-N1026 HydrophobicContact CE1-CB 4.48Å; F875-F1030 HydrophobicContact CD1-CD2 4.42Å; F875-F1030 HydrophobicContact CE1-CB 4.15Å; F875-F1030 AromaticContact CE1-CD2 3.91Å; F875-F1030 HydrophobicContact CE1-CD2 3.91Å; F875-F1030 HydrophobicContact CE1-CG 4.48Å; F875-F1030 HydrophobicContact CZ-CD2 4.29Å
876	L	95.7	Very high	95.2	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-58.7	-50.7	-179.2	-65.3	-179.6	0	0	0	112.3	L871 L957 I960 R1022 E1023 N1026 A1027	L871-L876 WeakPolarHBondContact O-CB 3.46Å; L871-L876 VanDerWaalsContact O-CG 3.26Å; L871-L876 WeakPolarHBondContact O-CG 3.44Å; L871-L876 PolarHBondContact O-N 3.27Å; L876-L957 HydrophobicContact CD1-CD2 3.77Å; L876-L957 HydrophobicContact CD2-CD2 4.31Å; L876-L957 HydrophobicContact CG-CD2 4.42Å; L876-I960 HydrophobicContact CD1-CD1 4.29Å; L876-I960 HydrophobicContact CD1-CG2 4.12Å; L876-R1022 WeakPolarHBondContact O-CD 3.28Å; L876-E1023 HydrophobicContact CB-CB 4.36Å; L876-E1023 HydrophobicContact CB-CG 4.16Å; L876-E1023 WeakPolarHBondContact O-CG 3.34Å; L876-N1026 HydrophobicContact CD2-CB 3.81Å; L876-N1026 PolarHBondContact O-ND2 3.12Å; L876-A1027 HydrophobicContact CD1-CB 4.43Å; L876-A1027 HydrophobicContact CD2-CB 3.73Å; L876-A1027 VanDerWaalsContact CD2-N 3.28Å
877	P	95	Very high	95.3	Very high	4 Å²	4	39.2 Å²	39.2	3%	0.026	20%	0.203	C	C	.	.	H	α-helix	trans	-77.2	-37.3	-176.3	27.9	-35.9	0	0	0	114.7	D874 T896 Q1019 R1022 E1023	D874-P877 WeakPolarHBondContact O-CD 3.35Å; P877-T896 HydrophobicContact CB-CG2 4.07Å; P877-T896 HydrophobicContact CG-CG2 4.31Å; P877-Q1019 VanDerWaalsContact CA-NE2 3.3Å; P877-Q1019 PolarHBondContact O-NE2 2.76Å; P877-R1022 WeakPolarHBondContact O-CD 3.24Å; P877-R1022 VanDerWaalsContact O-CZ 3.29Å; P877-R1022 PolarHBondContact O-NE 2.87Å; P877-E1023 HydrophobicContact CB-CG 4.25Å
878	N	95.3	Very high	95.3	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-103.7	-3.1	-164.3	-57.8	-35.7	0	0	0	114.4	D874 R890 T891 T896	D874-N878 VanDerWaalsContact O-CB 3.25Å; D874-N878 WeakPolarHBondContact O-CB 3.47Å; D874-N878 PolarHBondContact O-N 3.39Å; D874-N878 PolarHBondContact OD1-ND2 3.11Å; N878-R890 CarbonylContact O-C 3.56Å; N878-R890 WeakPolarHBondContact O-CA 3.47Å; N878-T891 WeakPolarHBondContact O-CG2 3.35Å; N878-T891 PolarHBondContact O-N 3.14Å; N878-T896 PolarHBondContact OD1-O 3.17Å
879	Y	96	Very high	95.3	Very high	3 Å²	3	39.8 Å²	39.8	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	154	-179.4	-72.9	-109.8	0	0	0	113.5	T817 F875 F888 V889 R890 V933 R1022 N1026	T817-Y879 WeakPolarHBondContact CG2-OH 3.35Å; F875-Y879 HydrophobicContact CB-CD2 4.49Å; F875-Y879 HydrophobicContact CD2-CD1 4.4Å; F875-Y879 HydrophobicContact CD2-CD2 4.19Å; F875-Y879 HydrophobicContact CD2-CG 4.06Å; F875-Y879 HydrophobicContact CE2-CG 4.49Å; F875-Y879 WeakPolarHBondContact O-CB 3.31Å; F875-Y879 PolarHBondContact O-N 2.81Å; Y879-F888 HydrophobicContact CD1-CB 3.79Å; Y879-F888 HydrophobicContact CG-CB 4.38Å; Y879-V889 CarbonylContact C-O 3.53Å; Y879-V889 WeakPolarHBondContact CA-O 3.42Å; Y879-R890 HydrophobicContact CE1-CG 4.14Å; Y879-R890 HydrophobicContact CE2-CG 4.23Å; Y879-R890 PolarHBondContact OH-NH2 3.38Å; Y879-V933 HydrophobicContact CD1-CG2 4.35Å; Y879-V933 HydrophobicContact CE1-CB 4.45Å; Y879-V933 HydrophobicContact CE1-CG2 3.74Å; Y879-R1022 PolarHBondContact O-NH1 3.09Å; Y879-R1022 VanDerWaalsContact O-NH1 3.1Å; Y879-N1026 PolarHBondContact O-ND2 3.31Å
880	C	96.2	Very high	95.2	Very high	5 Å²	5	37 Å²	37	3%	0.034	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	114.5	180	-64.8	0	0	0	0	108.5	F888 V889 R1022 C1176	C880-F888 VanDerWaalsContact O-CA 3.3Å; C880-F888 WeakPolarHBondContact O-CA 3.26Å; C880-V889 HydrophobicContact CB-CG2 4.37Å; C880-V889 PolarHBondContact N-O 3.48Å; C880-V889 PolarHBondContact O-N 3.27Å; C880-R1022 PolarHBondContact SG-NH1 3.25Å; C880-C1176 PolarHBondContact SG-O 3.41Å
881	Y	97.4	Very high	95.1	Very high	21 Å²	21	37.8 Å²	37.8	8%	0.082	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	142.3	174.4	-172.2	-125.8	0	0	0	111.8	N886 F888 L1029 L1033 G1178 D1179	Y881-N886 PolarHBondContact OH-OD1 3.12Å; Y881-F888 HydrophobicContact CD2-CD1 4.12Å; Y881-F888 AromaticContact CD2-CD2 3.75Å; Y881-F888 HydrophobicContact CD2-CD2 3.75Å; Y881-F888 AromaticContact CD2-CE1 3.9Å; Y881-F888 HydrophobicContact CD2-CE1 3.9Å; Y881-F888 AromaticContact CD2-CE2 3.49Å; Y881-F888 HydrophobicContact CD2-CE2 3.49Å; Y881-F888 VanDerWaalsContact CD2-CE2 3.49Å; Y881-F888 HydrophobicContact CD2-CG 4.04Å; Y881-F888 AromaticContact CD2-CZ 3.57Å; Y881-F888 HydrophobicContact CD2-CZ 3.57Å; Y881-F888 HydrophobicContact CE2-CD2 4.36Å; Y881-F888 AromaticContact CE2-CE2 3.95Å; Y881-F888 HydrophobicContact CE2-CE2 3.95Å; Y881-F888 HydrophobicContact CE2-CZ 4.29Å; Y881-F888 HydrophobicContact CG-CD1 4.41Å; Y881-F888 HydrophobicContact CG-CE1 4.05Å; Y881-F888 HydrophobicContact CG-CE2 4.38Å; Y881-F888 HydrophobicContact CG-CZ 4.02Å; Y881-L1029 HydrophobicContact CD1-CD1 3.48Å; Y881-L1029 VanDerWaalsContact CD1-CD1 3.48Å; Y881-L1029 HydrophobicContact CD1-CD2 3.67Å; Y881-L1029 HydrophobicContact CD1-CG 4.21Å; Y881-L1029 HydrophobicContact CE1-CD1 4.28Å; Y881-L1029 HydrophobicContact CE1-CD2 3.58Å; Y881-L1029 HydrophobicContact CG-CD1 3.66Å; Y881-L1029 HydrophobicContact CG-CD2 4.37Å; Y881-L1033 HydrophobicContact CE2-CD1 3.89Å; Y881-G1178 WeakPolarHBondContact O-CA 3.5Å; Y881-D1179 HydrophobicContact CD1-CB 4.01Å; Y881-D1179 PolarHBondContact O-N 3.49Å
882	N	95.4	Very high	94.8	Very high	68 Å²	68	40 Å²	40	36%	0.364	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	99.1	170.5	177.8	-38.9	0	0	0	108.6	S884 T885 N886 R887	N882-S884 VanDerWaalsContact C-N 3.26Å; N882-S884 PolarHBondContact O-N 3.23Å; N882-S884 WeakPolarHBondContact OD1-CB 3.48Å; N882-S884 PolarHBondContact OD1-N 2.83Å; N882-T885 PolarHBondContact O-N 2.84Å; N882-T885 VanDerWaalsContact O-N 3.08Å; N882-T885 PolarHBondContact O-OG1 3.25Å; N882-T885 VanDerWaalsContact O-OG1 3.11Å; N882-T885 PolarHBondContact OD1-N 2.82Å; N882-T885 VanDerWaalsContact OD1-N 3.15Å; N882-T885 PolarHBondContact OD1-OG1 3Å; N882-N886 PolarHBondContact O-N 3.37Å; N882-R887 PolarHBondContact N-O 3.46Å; N882-R887 PolarHBondContact O-N 2.73Å
883	G	92.3	Very high	94.3	Very high	30 Å²	30	40.8 Å²	40.8	31%	0.309	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-29.9	-176.2	0	0	0	0	0	113.9	T885 N886 D1179	G883-T885 PolarHBondContact O-N 2.64Å; G883-N886 PolarHBondContact O-N 3.43Å; G883-D1179 PolarHBondContact N-OD2 3.06Å
884	S	92.9	Very high	93.8	Very high	124 Å²	124	40.6 Å²	40.6	87%	0.867	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-25.1	175.9	-62.7	0	0	0	0	113.4	N882	N882-S884 VanDerWaalsContact C-N 3.26Å; N882-S884 PolarHBondContact O-N 3.23Å; N882-S884 WeakPolarHBondContact OD1-CB 3.48Å; N882-S884 PolarHBondContact OD1-N 2.83Å
885	T	94.4	Very high	93.2	Very high	76 Å²	76	43.7 Å²	43.7	47%	0.466	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-10.4	178.5	63.1	0	0	0	0	113.7	N882 G883 R887	N882-T885 PolarHBondContact O-N 2.84Å; N882-T885 VanDerWaalsContact O-N 3.08Å; N882-T885 PolarHBondContact O-OG1 3.25Å; N882-T885 VanDerWaalsContact O-OG1 3.11Å; N882-T885 PolarHBondContact OD1-N 2.82Å; N882-T885 VanDerWaalsContact OD1-N 3.15Å; N882-T885 PolarHBondContact OD1-OG1 3Å; G883-T885 PolarHBondContact O-N 2.64Å; T885-R887 VanDerWaalsContact C-N 3.29Å; T885-R887 PolarHBondContact O-N 3.26Å; T885-R887 PolarHBondContact OG1-N 2.71Å
886	N	94.7	Very high	92.7	Very high	47 Å²	47	46 Å²	46	25%	0.251	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	50.8	-166.2	-167	-0.4	0	0	0	111.8	Y881 N882 G883 P935 L1033	Y881-N886 PolarHBondContact OH-OD1 3.12Å; N882-N886 PolarHBondContact O-N 3.37Å; G883-N886 PolarHBondContact O-N 3.43Å; N886-P935 WeakPolarHBondContact O-CD 3.34Å; N886-L1033 WeakPolarHBondContact OD1-CD2 3.42Å
887	R	97.3	Very high	92	Very high	113 Å²	113	54.7 Å²	54.7	43%	0.426	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	149.1	177.5	-65.2	179.6	-176	-157.1	1.3	110.7	N882 T885 F932 V933	N882-R887 PolarHBondContact N-O 3.46Å; N882-R887 PolarHBondContact O-N 2.73Å; T885-R887 VanDerWaalsContact C-N 3.29Å; T885-R887 PolarHBondContact O-N 3.26Å; T885-R887 PolarHBondContact OG1-N 2.71Å; R887-F932 HydrophobicContact CB-CD2 4.22Å; R887-F932 HydrophobicContact CG-CD2 3.73Å; R887-F932 HydrophobicContact CG-CE2 4.21Å; R887-V933 CarbonylContact C-O 3.6Å; R887-V933 VanDerWaalsContact CA-O 3.3Å; R887-V933 WeakPolarHBondContact CA-O 3.23Å
888	F	97.7	Very high	91.4	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	141.4	163.7	-63	-103.5	0	0	0	109.3	F875 Y879 C880 Y881 F932 V933 F938 N1026 L1029 L1033	F875-F888 HydrophobicContact CE1-CE1 4.19Å; F875-F888 HydrophobicContact CE1-CZ 4.3Å; F875-F888 HydrophobicContact CE2-CB 4.15Å; F875-F888 AromaticContact CE2-CD1 3.9Å; F875-F888 HydrophobicContact CE2-CD1 3.9Å; F875-F888 AromaticContact CE2-CD2 3.92Å; F875-F888 HydrophobicContact CE2-CD2 3.92Å; F875-F888 HydrophobicContact CE2-CE1 4.23Å; F875-F888 HydrophobicContact CE2-CE2 4.27Å; F875-F888 AromaticContact CE2-CG 3.74Å; F875-F888 HydrophobicContact CE2-CG 3.74Å; F875-F888 HydrophobicContact CE2-CZ 4.41Å; F875-F888 AromaticContact CZ-CD1 3.69Å; F875-F888 HydrophobicContact CZ-CD1 3.69Å; F875-F888 AromaticContact CZ-CD2 3.82Å; F875-F888 HydrophobicContact CZ-CD2 3.82Å; F875-F888 AromaticContact CZ-CE1 3.53Å; F875-F888 HydrophobicContact CZ-CE1 3.53Å; F875-F888 AromaticContact CZ-CE2 3.69Å; F875-F888 HydrophobicContact CZ-CE2 3.69Å; F875-F888 AromaticContact CZ-CG 3.83Å; F875-F888 HydrophobicContact CZ-CG 3.83Å; F875-F888 AromaticContact CZ-CZ 3.54Å; F875-F888 HydrophobicContact CZ-CZ 3.54Å; Y879-F888 HydrophobicContact CD1-CB 3.79Å; Y879-F888 HydrophobicContact CG-CB 4.38Å; C880-F888 VanDerWaalsContact O-CA 3.3Å; C880-F888 WeakPolarHBondContact O-CA 3.26Å; Y881-F888 HydrophobicContact CD2-CD1 4.12Å; Y881-F888 AromaticContact CD2-CD2 3.75Å; Y881-F888 HydrophobicContact CD2-CD2 3.75Å; Y881-F888 AromaticContact CD2-CE1 3.9Å; Y881-F888 HydrophobicContact CD2-CE1 3.9Å; Y881-F888 AromaticContact CD2-CE2 3.49Å; Y881-F888 HydrophobicContact CD2-CE2 3.49Å; Y881-F888 VanDerWaalsContact CD2-CE2 3.49Å; Y881-F888 HydrophobicContact CD2-CG 4.04Å; Y881-F888 AromaticContact CD2-CZ 3.57Å; Y881-F888 HydrophobicContact CD2-CZ 3.57Å; Y881-F888 HydrophobicContact CE2-CD2 4.36Å; Y881-F888 AromaticContact CE2-CE2 3.95Å; Y881-F888 HydrophobicContact CE2-CE2 3.95Å; Y881-F888 HydrophobicContact CE2-CZ 4.29Å; Y881-F888 HydrophobicContact CG-CD1 4.41Å; Y881-F888 HydrophobicContact CG-CE1 4.05Å; Y881-F888 HydrophobicContact CG-CE2 4.38Å; Y881-F888 HydrophobicContact CG-CZ 4.02Å; F888-F932 CarbonylContact O-C 3.59Å; F888-F932 WeakPolarHBondContact O-CA 3.29Å; F888-F932 WeakPolarHBondContact O-CB 3.38Å; F888-V933 HydrophobicContact CB-CB 4.22Å; F888-V933 PolarHBondContact N-O 3.03Å; F888-V933 PolarHBondContact O-N 2.92Å; F888-F938 HydrophobicContact CD2-CE2 4.35Å; F888-F938 HydrophobicContact CE2-CE2 4.03Å; F888-F938 AromaticContact CE2-CZ 3.9Å; F888-F938 HydrophobicContact CE2-CZ 3.9Å; F888-N1026 HydrophobicContact CE1-CB 4.45Å; F888-L1029 HydrophobicContact CE1-CB 4.49Å; F888-L1029 HydrophobicContact CE1-CD1 4.37Å; F888-L1029 HydrophobicContact CZ-CB 3.88Å; F888-L1029 HydrophobicContact CZ-CD1 4.36Å; F888-L1033 HydrophobicContact CE2-CD1 3.54Å; F888-L1033 HydrophobicContact CZ-CD1 4.02Å
889	V	96.1	Very high	91	Very high	68 Å²	68	60.6 Å²	60.6	41%	0.412	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	156.8	171.2	-65.7	0	0	0	0	109.3	Y879 C880 F932	Y879-V889 CarbonylContact C-O 3.53Å; Y879-V889 WeakPolarHBondContact CA-O 3.42Å; C880-V889 HydrophobicContact CB-CG2 4.37Å; C880-V889 PolarHBondContact N-O 3.48Å; C880-V889 PolarHBondContact O-N 3.27Å; V889-F932 HydrophobicContact CG1-CB 4.44Å
890	R	93.9	Very high	90.5	Very high	77 Å²	77	69.6 Å²	69.6	29%	0.291	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	147.3	175.1	-71.6	-173.9	178.2	-80.1	-11.6	110.9	D815 D874 N878 Y879 E898	D815-R890 IonicContact OD2-CZ 3.63Å; D815-R890 IonicContact OD2-NH2 2.72Å; D815-R890 PolarHBondContact OD2-NH2 3.07Å; D874-R890 IonicContact OD1-CZ 3.98Å; D874-R890 IonicContact OD1-NH1 3.71Å; D874-R890 PolarHBondContact OD1-NH1 3.32Å; D874-R890 IonicContact OD1-NH2 2.77Å; D874-R890 IonicContact OD2-CZ 3.2Å; D874-R890 IonicContact OD2-NH1 3.08Å; D874-R890 PolarHBondContact OD2-NH1 3.23Å; D874-R890 IonicContact OD2-NH2 3.41Å; D874-R890 PolarHBondContact OD2-NH2 3.36Å; N878-R890 CarbonylContact O-C 3.56Å; N878-R890 WeakPolarHBondContact O-CA 3.47Å; Y879-R890 HydrophobicContact CE1-CG 4.14Å; Y879-R890 HydrophobicContact CE2-CG 4.23Å; Y879-R890 PolarHBondContact OH-NH2 3.38Å; R890-E898 IonicContact CZ-OE1 2.7Å; R890-E898 IonicContact NE-OE1 3.41Å; R890-E898 IonicContact NH1-OE1 3.21Å; R890-E898 PolarHBondContact NH1-OE1 3.41Å
891	T	93.1	Very high	90.3	Very high	18 Å²	18	72.1 Å²	72.1	11%	0.11	38%	0.383	C	S	.	.			trans	-61.1	145	177.3	177.8	0	0	0	0	112	N878 I893 P894 C1176	N878-T891 WeakPolarHBondContact O-CG2 3.35Å; N878-T891 PolarHBondContact O-N 3.14Å; T891-I893 VanDerWaalsContact C-N 3.27Å; T891-I893 VanDerWaalsContact CG2-O 3.22Å; T891-I893 WeakPolarHBondContact CG2-O 3.44Å; T891-I893 PolarHBondContact O-N 3.25Å; T891-I893 PolarHBondContact OG1-N 3.29Å; T891-I893 PolarHBondContact OG1-O 3.07Å; T891-P894 HydrophobicContact CG2-CB 4.25Å; T891-C1176 PolarHBondContact OG1-O 3.49Å
892	A	88.4	Confident	89.9	Confident	45 Å²	45	77.8 Å²	77.8	37%	0.372	42%	0.415	S	S	.	.	S	Bend	trans	-68.7	-26	172.2	0	0	0	0	0	113.2	F1171 Q1175	A892-F1171 HydrophobicContact CB-CD1 3.49Å; A892-F1171 VanDerWaalsContact CB-CD1 3.49Å; A892-F1171 HydrophobicContact CB-CE1 3.75Å; A892-F1171 HydrophobicContact CB-CG 4Å; A892-F1171 HydrophobicContact CB-CZ 4.43Å; A892-Q1175 HydrophobicContact CB-CB 4.41Å; A892-Q1175 PolarHBondContact N-O 3.1Å
893	I	85.2	Confident	89.5	Confident	65 Å²	65	83.9 Å²	83.9	33%	0.333	44%	0.438	S	S	.	.	S	Bend	trans	-130.9	112.1	175	-56.8	178.8	0	0	0	107.9	T891 F895 F1171	T891-I893 VanDerWaalsContact C-N 3.27Å; T891-I893 VanDerWaalsContact CG2-O 3.22Å; T891-I893 WeakPolarHBondContact CG2-O 3.44Å; T891-I893 PolarHBondContact O-N 3.25Å; T891-I893 PolarHBondContact OG1-N 3.29Å; T891-I893 PolarHBondContact OG1-O 3.07Å; I893-F895 HydrophobicContact CB-CE2 4.29Å; I893-F895 HydrophobicContact CB-CZ 4.14Å; I893-F895 HydrophobicContact CG2-CD1 4.4Å; I893-F895 HydrophobicContact CG2-CE1 3.92Å; I893-F895 HydrophobicContact CG2-CE2 4.31Å; I893-F895 HydrophobicContact CG2-CZ 3.87Å; I893-F895 PolarHBondContact O-N 3.44Å; I893-F1171 HydrophobicContact CD1-CB 4.24Å; I893-F1171 HydrophobicContact CD1-CD2 3.87Å; I893-F1171 HydrophobicContact CD1-CG 4.39Å; I893-F1171 HydrophobicContact CG1-CD2 3.91Å; I893-F1171 HydrophobicContact CG1-CE2 4.46Å; I893-F1171 HydrophobicContact CG1-CG 4.38Å
894	P	82.3	Confident	89.1	Confident	83 Å²	83	85 Å²	85	54%	0.539	44%	0.44	S	S	.	.			trans	-75.1	117.1	172.7	29.4	-31.6	0	0	0	109.8	T891	T891-P894 HydrophobicContact CG2-CB 4.25Å
895	F	82.9	Confident	88.7	Confident	66 Å²	66	82.3 Å²	82.3	29%	0.289	43%	0.426	S	S	.	.	S	Bend	trans	-88	-21.6	171.3	-62.1	-73.8	0	0	0	112	I893 T1015 Q1019 C1176 F1177	I893-F895 HydrophobicContact CB-CE2 4.29Å; I893-F895 HydrophobicContact CB-CZ 4.14Å; I893-F895 HydrophobicContact CG2-CD1 4.4Å; I893-F895 HydrophobicContact CG2-CE1 3.92Å; I893-F895 HydrophobicContact CG2-CE2 4.31Å; I893-F895 HydrophobicContact CG2-CZ 3.87Å; I893-F895 PolarHBondContact O-N 3.44Å; F895-T1015 HydrophobicContact CD1-CG2 3.93Å; F895-T1015 HydrophobicContact CE1-CG2 4.01Å; F895-Q1019 HydrophobicContact CB-CG 4.32Å; F895-C1176 HydrophobicContact CE2-CB 4.35Å; F895-F1177 HydrophobicContact CD2-CE1 4.04Å; F895-F1177 HydrophobicContact CD2-CZ 4.18Å; F895-F1177 AromaticContact CE2-CE1 3.79Å; F895-F1177 HydrophobicContact CE2-CE1 3.79Å; F895-F1177 HydrophobicContact CE2-CE2 4.35Å; F895-F1177 AromaticContact CE2-CZ 3.5Å; F895-F1177 HydrophobicContact CE2-CZ 3.5Å; F895-F1177 VanDerWaalsContact CE2-CZ 3.5Å; F895-F1177 HydrophobicContact CZ-CZ 4.02Å
896	T	84.9	Confident	88.4	Confident	51 Å²	51	86.8 Å²	86.8	31%	0.313	45%	0.447	S	S	.	.	S	Bend	trans	-110.3	143.8	175.4	-52.8	0	0	0	0	109.1	P877 N878	P877-T896 HydrophobicContact CB-CG2 4.07Å; P877-T896 HydrophobicContact CG-CG2 4.31Å; N878-T896 PolarHBondContact OD1-O 3.17Å
897	Q	80.9	Confident	88.2	Confident	184 Å²	184	86 Å²	86	86%	0.86	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-73.3	135.2	174.7	-65.8	-176.9	7	0	0	110.1
898	E	81.5	Confident	88.1	Confident	102 Å²	102	85.9 Å²	85.9	48%	0.477	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-63.7	142.4	170.9	-65	-170.6	168.3	0	0	110.3	R890 Q900	R890-E898 IonicContact CZ-OE1 2.7Å; R890-E898 IonicContact NE-OE1 3.41Å; R890-E898 IonicContact NH1-OE1 3.21Å; R890-E898 PolarHBondContact NH1-OE1 3.41Å; E898-Q900 PolarHBondContact O-N 2.82Å
899	P	86.6	Confident	87.9	Confident	26 Å²	26	86.8 Å²	86.8	17%	0.169	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-64.5	134.3	179.7	25.9	-33.5	0	0	0	110.7	F873 D874 R901	F873-P899 HydrophobicContact CB-CB 4.42Å; F873-P899 HydrophobicContact CB-CG 4.21Å; D874-P899 HydrophobicContact CB-CG 4.47Å; P899-R901 PolarHBondContact O-N 2.91Å
900	Q	87.1	Confident	87.8	Confident	192 Å²	192	85 Å²	85	90%	0.897	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-68.2	117.9	170.4	-178.3	177	-12.2	0	0	108.9	E898	E898-Q900 PolarHBondContact O-N 2.82Å
901	R	90.7	Very high	88	Confident	59 Å²	59	82.7 Å²	82.7	22%	0.223	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-103.3	140.4	178.9	-59	179.5	-173.1	89.2	-12.5	110.4	S813 E870 D874 P899	S813-R901 WeakPolarHBondContact O-CB 3.35Å; E870-R901 IonicContact OE1-CZ 3.44Å; E870-R901 IonicContact OE1-NE 3.55Å; E870-R901 PolarHBondContact OE1-NE 2.9Å; E870-R901 IonicContact OE1-NH2 3.73Å; E870-R901 PolarHBondContact OE1-NH2 3.14Å; E870-R901 IonicContact OE2-CZ 2.69Å; E870-R901 IonicContact OE2-NE 3.39Å; E870-R901 IonicContact OE2-NH2 2.82Å; E870-R901 PolarHBondContact OE2-NH2 2.62Å; D874-R901 IonicContact OD2-CZ 2.68Å; D874-R901 IonicContact OD2-NH2 2.65Å; D874-R901 PolarHBondContact OD2-NH2 3.2Å; P899-R901 PolarHBondContact O-N 2.91Å
902	D	89.3	Confident	88.1	Confident	140 Å²	140	82.9 Å²	82.9	75%	0.749	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-67.1	152.3	170.3	-77.2	-36.2	0	0	0	110.5	S813	S813-D902 WeakPolarHBondContact CB-O 3.22Å
903	K	86.8	Confident	88.4	Confident	195 Å²	195	80.9 Å²	80.9	85%	0.848	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-82.6	142.1	179.9	-69.9	-177.1	179	178.2	0	111
904	P	83.8	Confident	88.8	Confident	55 Å²	55	78.2 Å²	78.2	36%	0.357	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-61.3	144.7	175.7	23.8	-31.7	0	0	0	111.4	S813	S813-P904 WeakPolarHBondContact OG-CB 3.47Å; S813-P904 WeakPolarHBondContact OG-CD 3.11Å
905	A	85.5	Confident	89.4	Confident	67 Å²	67	75.9 Å²	75.9	55%	0.554	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-62.7	139	176.3	0	0	0	0	0	111.5	V907	A905-V907 HydrophobicContact CB-CG1 4.48Å; A905-V907 PolarHBondContact O-N 3.32Å
906	N	87	Confident	90	Very high	170 Å²	170	80.1 Å²	80.1	91%	0.909	41%	0.406	S	S	*	.			trans	-78.1	111.2	175.1	-173.6	16.5	0	0	0	109.9
907	V	91.7	Very high	90.4	Very high	29 Å²	29	80.2 Å²	80.2	18%	0.176	41%	0.408	C	S	.	.			trans	-118.7	158.1	-175.8	-65.8	0	0	0	0	112.6	Q806 A905 Y911 L912	Q806-V907 HydrophobicContact CG-CG1 4.16Å; Q806-V907 VanDerWaalsContact OE1-CG1 3.23Å; A905-V907 HydrophobicContact CB-CG1 4.48Å; A905-V907 PolarHBondContact O-N 3.32Å; V907-Y911 HydrophobicContact CB-CD2 4.29Å; V907-L912 HydrophobicContact CG2-CD1 3.92Å; V907-L912 HydrophobicContact CG2-CD2 4.15Å; V907-L912 HydrophobicContact CG2-CG 3.78Å
908	Q	94.2	Very high	91.1	Very high	111 Å²	111	71.6 Å²	71.6	52%	0.519	37%	0.368	S	S	.	.			trans	-59.2	142.6	174.1	-66.7	-65.2	-5.4	0	0	111	Y910 Y911	Q908-Y910 HydrophobicContact CB-CD1 3.83Å; Q908-Y910 HydrophobicContact CB-CE1 3.4Å; Q908-Y910 HydrophobicContact CB-CE2 4.25Å; Q908-Y910 HydrophobicContact CB-CG 4.41Å; Q908-Y910 HydrophobicContact CG-CE1 3.9Å; Q908-Y910 PolarHBondContact O-N 3.43Å; Q908-Y911 HydrophobicContact CB-CD2 3.98Å; Q908-Y911 HydrophobicContact CB-CE2 4.16Å; Q908-Y911 PolarHBondContact O-N 3.24Å
909	P	94.9	Very high	91.8	Very high	19 Å²	19	68.2 Å²	68.2	12%	0.123	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-57.6	-26.2	-171.9	-26.8	34.3	0	0	0	115.2	Y911 L912 Y913 G914 K916	P909-Y911 VanDerWaalsContact C-N 3.31Å; P909-Y911 PolarHBondContact O-N 3.02Å; P909-L912 CarbonylContact O-C 3.33Å; P909-L912 WeakPolarHBondContact O-CA 3.31Å; P909-L912 PolarHBondContact O-N 3.3Å; P909-L912 VanDerWaalsContact O-N 3.07Å; P909-Y913 PolarHBondContact O-N 3.02Å; P909-G914 CarbonylContact O-C 3.53Å; P909-G914 WeakPolarHBondContact O-CA 3.35Å; P909-G914 PolarHBondContact O-N 3.12Å; P909-K916 HydrophobicContact CG-CG 3.66Å
910	Y	94	Very high	92.1	Very high	32 Å²	32	72.9 Å²	72.9	13%	0.125	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-75.6	-11.7	178.4	58.1	-101.7	0	0	0	114.7	D732 F735 A736 K739 Q908 L912	D732-Y910 PolarHBondContact OD1-OH 3.44Å; F735-Y910 AromaticContact CD1-CD2 3.83Å; F735-Y910 HydrophobicContact CD1-CD2 3.83Å; F735-Y910 HydrophobicContact CD1-CE2 4.49Å; F735-Y910 HydrophobicContact CE1-CD2 4.16Å; F735-Y910 WeakPolarHBondContact CE1-O 3.48Å; A736-Y910 HydrophobicContact CB-CD1 4.03Å; A736-Y910 HydrophobicContact CB-CG 3.96Å; K739-Y910 WeakPolarHBondContact CG-O 3.36Å; K739-Y910 PolarHBondContact NZ-O 2.94Å; Q908-Y910 HydrophobicContact CB-CD1 3.83Å; Q908-Y910 HydrophobicContact CB-CE1 3.4Å; Q908-Y910 HydrophobicContact CB-CE2 4.25Å; Q908-Y910 HydrophobicContact CB-CG 4.41Å; Q908-Y910 HydrophobicContact CG-CE1 3.9Å; Q908-Y910 PolarHBondContact O-N 3.43Å; Y910-L912 VanDerWaalsContact C-N 3.32Å
911	Y	96.5	Very high	92.5	Very high	27 Å²	27	64 Å²	64	11%	0.106	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-78.2	-22	164.4	-63.3	-62.1	0	0	0	111.9	F735 K739 A799 K802 S803 V907 Q908 P909	F735-Y911 HydrophobicContact CE1-CD1 4.3Å; K739-Y911 PolarHBondContact NZ-O 2.87Å; A799-Y911 HydrophobicContact CB-CE1 4.27Å; K802-Y911 HydrophobicContact CB-CD1 4.28Å; K802-Y911 HydrophobicContact CB-CE1 4.15Å; K802-Y911 HydrophobicContact CD-CD1 4.11Å; K802-Y911 HydrophobicContact CD-CE1 3.6Å; K802-Y911 HydrophobicContact CD-CE2 4.22Å; K802-Y911 HydrophobicContact CG-CD1 3.93Å; K802-Y911 HydrophobicContact CG-CE1 3.89Å; K802-Y911 HydrophobicContact CG-CG 4.48Å; K802-Y911 PolarHBondContact NZ-OH 3.44Å; S803-Y911 WeakPolarHBondContact CB-O 3.4Å; V907-Y911 HydrophobicContact CB-CD2 4.29Å; Q908-Y911 HydrophobicContact CB-CD2 3.98Å; Q908-Y911 HydrophobicContact CB-CE2 4.16Å; Q908-Y911 PolarHBondContact O-N 3.24Å; P909-Y911 VanDerWaalsContact C-N 3.31Å; P909-Y911 PolarHBondContact O-N 3.02Å
912	L	95.9	Very high	92.7	Very high	22 Å²	22	61.3 Å²	61.3	12%	0.115	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-120.6	175.2	-58.1	176.2	0	0	0	110.4	K739 L825 V907 P909 Y910 G914	K739-L912 VanDerWaalsContact CD-O 3.27Å; K739-L912 WeakPolarHBondContact CD-O 3.44Å; K739-L912 PolarHBondContact NZ-O 2.86Å; K739-L912 VanDerWaalsContact NZ-O 3.16Å; L825-L912 HydrophobicContact CD2-CD2 4.1Å; V907-L912 HydrophobicContact CG2-CD1 3.92Å; V907-L912 HydrophobicContact CG2-CD2 4.15Å; V907-L912 HydrophobicContact CG2-CG 3.78Å; P909-L912 CarbonylContact O-C 3.33Å; P909-L912 WeakPolarHBondContact O-CA 3.31Å; P909-L912 PolarHBondContact O-N 3.3Å; P909-L912 VanDerWaalsContact O-N 3.07Å; Y910-L912 VanDerWaalsContact C-N 3.32Å; L912-G914 PolarHBondContact O-N 3.35Å
913	Y	95.1	Very high	92.9	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.016	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	0.8	-172.2	-56.8	-87.4	0	0	0	114.7	E821 L825 I828 P909 L918 N919 Y922 Y926	E821-Y913 WeakPolarHBondContact CG-OH 3.45Å; E821-Y913 PolarHBondContact OE1-OH 2.94Å; L825-Y913 HydrophobicContact CB-CE1 4.17Å; L825-Y913 HydrophobicContact CD1-CD1 4.13Å; L825-Y913 HydrophobicContact CD1-CE1 3.98Å; L825-Y913 HydrophobicContact CD1-CE2 4.45Å; L825-Y913 HydrophobicContact CD1-CG 4.41Å; I828-Y913 HydrophobicContact CD1-CD1 3.49Å; I828-Y913 VanDerWaalsContact CD1-CD1 3.49Å; I828-Y913 HydrophobicContact CD1-CE1 3.95Å; P909-Y913 PolarHBondContact O-N 3.02Å; Y913-L918 VanDerWaalsContact O-CD1 3.3Å; Y913-L918 WeakPolarHBondContact O-CD1 3.18Å; Y913-N919 VanDerWaalsContact CB-OD1 3.31Å; Y913-N919 WeakPolarHBondContact CB-OD1 3.45Å; Y913-N919 HydrophobicContact CD2-CB 4.29Å; Y913-N919 WeakPolarHBondContact CD2-OD1 3.38Å; Y913-N919 PolarHBondContact N-OD1 3.31Å; Y913-N919 VanDerWaalsContact N-OD1 3.12Å; Y913-Y922 HydrophobicContact CD1-CD1 4.18Å; Y913-Y922 AromaticContact CD1-CD2 3.22Å; Y913-Y922 HydrophobicContact CD1-CD2 3.22Å; Y913-Y922 AromaticContact CD1-CE2 3.86Å; Y913-Y922 HydrophobicContact CD1-CE2 3.86Å; Y913-Y922 AromaticContact CD1-CG 3.39Å; Y913-Y922 HydrophobicContact CD1-CG 3.39Å; Y913-Y922 HydrophobicContact CE1-CD1 4.16Å; Y913-Y922 AromaticContact CE1-CD2 3.97Å; Y913-Y922 HydrophobicContact CE1-CD2 3.97Å; Y913-Y922 AromaticContact CE1-CG 3.63Å; Y913-Y922 HydrophobicContact CE1-CG 3.63Å; Y913-Y922 AromaticContact CG-CD2 3.6Å; Y913-Y922 HydrophobicContact CG-CD2 3.6Å; Y913-Y922 HydrophobicContact CG-CE2 4.41Å; Y913-Y922 HydrophobicContact CG-CG 4.03Å; Y913-Y926 HydrophobicContact CE1-CE2 4.24Å
914	G	94.4	Very high	93.2	Very high	8 Å²	8	53.7 Å²	53.7	8%	0.082	29%	0.293	C	S	.	.	S	Bend	trans	114.5	-43.9	174	0	0	0	0	0	114.5	P909 L912	P909-G914 CarbonylContact O-C 3.53Å; P909-G914 WeakPolarHBondContact O-CA 3.35Å; P909-G914 PolarHBondContact O-N 3.12Å; L912-G914 PolarHBondContact O-N 3.35Å
915	S	94.8	Very high	93.7	Very high	35 Å²	35	53 Å²	53	25%	0.245	29%	0.286	C	S	.	.	S	Bend	trans	-149.2	160.8	-176	72.5	0	0	0	0	111.8	L918 N919	S915-L918 PolarHBondContact O-N 2.92Å; S915-L918 VanDerWaalsContact O-N 3.1Å; S915-L918 WeakPolarHBondContact OG-CD1 3.45Å; S915-L918 WeakPolarHBondContact OG-CG 3.47Å; S915-L918 PolarHBondContact OG-N 3.22Å; S915-N919 PolarHBondContact O-N 2.99Å; S915-N919 PolarHBondContact O-OD1 2.87Å
916	K	94.8	Very high	94.2	Very high	155 Å²	155	50.3 Å²	50.3	67%	0.674	26%	0.262	S	S	*	.	H	α-helix	trans	-55.7	-45	179.2	-63.4	-176.7	179.7	178.5	0	112.7	P909 L918 N919 I920	P909-K916 HydrophobicContact CG-CG 3.66Å; K916-L918 VanDerWaalsContact C-N 3.35Å; K916-L918 PolarHBondContact O-N 3.5Å; K916-N919 PolarHBondContact O-N 3.49Å; K916-I920 WeakPolarHBondContact O-CG1 3.48Å; K916-I920 PolarHBondContact O-N 3.01Å; K916-I920 VanDerWaalsContact O-N 3.13Å
917	P	93.9	Very high	94.5	Very high	53 Å²	53	44.7 Å²	44.7	34%	0.344	24%	0.236	S	C	.	.	H	α-helix	trans	-61.6	-37.5	174.5	-25.2	35.8	0	0	0	113.9	I762 A921	I762-P917 HydrophobicContact CG2-CB 4.33Å; P917-A921 WeakPolarHBondContact O-CB 3.29Å; P917-A921 PolarHBondContact O-N 3.22Å
918	L	95.4	Very high	94.6	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-68.6	-43.5	177	-68.7	171.3	0	0	0	111.3	A740 L747 I762 Y913 S915 K916 I920 A921 Y922	A740-L918 HydrophobicContact CB-CD1 4.42Å; L747-L918 HydrophobicContact CD2-CD2 4.08Å; I762-L918 HydrophobicContact CG2-CD2 4.29Å; Y913-L918 VanDerWaalsContact O-CD1 3.3Å; Y913-L918 WeakPolarHBondContact O-CD1 3.18Å; S915-L918 PolarHBondContact O-N 2.92Å; S915-L918 VanDerWaalsContact O-N 3.1Å; S915-L918 WeakPolarHBondContact OG-CD1 3.45Å; S915-L918 WeakPolarHBondContact OG-CG 3.47Å; S915-L918 PolarHBondContact OG-N 3.22Å; K916-L918 VanDerWaalsContact C-N 3.35Å; K916-L918 PolarHBondContact O-N 3.5Å; L918-I920 VanDerWaalsContact C-N 3.3Å; L918-I920 PolarHBondContact O-N 2.74Å; L918-A921 PolarHBondContact O-N 3.39Å; L918-Y922 HydrophobicContact CB-CD2 4.42Å; L918-Y922 HydrophobicContact CD2-CE2 4.41Å; L918-Y922 VanDerWaalsContact O-CD2 3.25Å; L918-Y922 WeakPolarHBondContact O-CD2 3.44Å; L918-Y922 PolarHBondContact O-N 3.02Å
919	N	94.9	Very high	94.7	Very high	32 Å²	32	45.4 Å²	45.4	17%	0.171	24%	0.243	C	C	.	.	H	α-helix	trans	-56.3	-44.4	175.3	-71.1	8.5	0	0	0	111.7	Y913 S915 K916 S923	Y913-N919 VanDerWaalsContact CB-OD1 3.31Å; Y913-N919 WeakPolarHBondContact CB-OD1 3.45Å; Y913-N919 HydrophobicContact CD2-CB 4.29Å; Y913-N919 WeakPolarHBondContact CD2-OD1 3.38Å; Y913-N919 PolarHBondContact N-OD1 3.31Å; Y913-N919 VanDerWaalsContact N-OD1 3.12Å; S915-N919 PolarHBondContact O-N 2.99Å; S915-N919 PolarHBondContact O-OD1 2.87Å; K916-N919 PolarHBondContact O-N 3.49Å; N919-S923 WeakPolarHBondContact O-CB 3.38Å; N919-S923 PolarHBondContact O-N 3.39Å
920	I	94	Very high	94.7	Very high	123 Å²	123	47.6 Å²	47.6	63%	0.631	25%	0.249	S	C	*	.	H	α-helix	trans	-65.7	-46	177.6	-65.2	165.2	0	0	0	110.9	K916 L918 S923 H924	K916-I920 WeakPolarHBondContact O-CG1 3.48Å; K916-I920 PolarHBondContact O-N 3.01Å; K916-I920 VanDerWaalsContact O-N 3.13Å; L918-I920 VanDerWaalsContact C-N 3.3Å; L918-I920 PolarHBondContact O-N 2.74Å; I920-S923 PolarHBondContact O-N 2.94Å; I920-H924 WeakPolarHBondContact O-CB 3.18Å; I920-H924 PolarHBondContact O-N 3.21Å
921	A	94.9	Very high	94.7	Very high	5 Å²	5	52.3 Å²	52.3	4%	0.041	28%	0.276	C	S	.	.	H	α-helix	trans	-58.4	-50.3	179.4	0	0	0	0	0	112.2	L747 F751 I762 P917 L918 H924 I925	L747-A921 HydrophobicContact CD1-CB 4.1Å; L747-A921 HydrophobicContact CD2-CB 4.47Å; F751-A921 HydrophobicContact CE1-CB 3.84Å; I762-A921 HydrophobicContact CD1-CB 3.91Å; P917-A921 WeakPolarHBondContact O-CB 3.29Å; P917-A921 PolarHBondContact O-N 3.22Å; L918-A921 PolarHBondContact O-N 3.39Å; A921-H924 PolarHBondContact O-N 2.77Å; A921-I925 VanDerWaalsContact O-CG1 3.32Å; A921-I925 WeakPolarHBondContact O-CG1 3.39Å; A921-I925 PolarHBondContact O-N 2.69Å
922	Y	95.6	Very high	94.7	Very high	3 Å²	3	52 Å²	52	1%	0.012	28%	0.276	C	S	.	.	H	α-helix	trans	-68.2	-42.9	179.3	-78.7	-68.5	0	0	0	112.6	G743 L746 L747 I828 Y913 L918 H924 I925 Y926	G743-Y922 WeakPolarHBondContact O-CE2 3.32Å; G743-Y922 PolarHBondContact O-OH 3.04Å; L746-Y922 VanDerWaalsContact C-OH 3.25Å; L747-Y922 VanDerWaalsContact CA-OH 3.31Å; L747-Y922 WeakPolarHBondContact CA-OH 3.44Å; L747-Y922 HydrophobicContact CB-CE2 4.49Å; L747-Y922 HydrophobicContact CD1-CE1 4.22Å; L747-Y922 HydrophobicContact CD1-CE2 4.31Å; L747-Y922 PolarHBondContact N-OH 3.12Å; I828-Y922 HydrophobicContact CD1-CD1 4.47Å; I828-Y922 HydrophobicContact CD1-CD2 4.31Å; I828-Y922 HydrophobicContact CD1-CE1 3.9Å; I828-Y922 HydrophobicContact CD1-CE2 3.75Å; I828-Y922 VanDerWaalsContact CD1-CZ 3.49Å; Y913-Y922 HydrophobicContact CD1-CD1 4.18Å; Y913-Y922 AromaticContact CD1-CD2 3.22Å; Y913-Y922 HydrophobicContact CD1-CD2 3.22Å; Y913-Y922 AromaticContact CD1-CE2 3.86Å; Y913-Y922 HydrophobicContact CD1-CE2 3.86Å; Y913-Y922 AromaticContact CD1-CG 3.39Å; Y913-Y922 HydrophobicContact CD1-CG 3.39Å; Y913-Y922 HydrophobicContact CE1-CD1 4.16Å; Y913-Y922 AromaticContact CE1-CD2 3.97Å; Y913-Y922 HydrophobicContact CE1-CD2 3.97Å; Y913-Y922 AromaticContact CE1-CG 3.63Å; Y913-Y922 HydrophobicContact CE1-CG 3.63Å; Y913-Y922 AromaticContact CG-CD2 3.6Å; Y913-Y922 HydrophobicContact CG-CD2 3.6Å; Y913-Y922 HydrophobicContact CG-CE2 4.41Å; Y913-Y922 HydrophobicContact CG-CG 4.03Å; L918-Y922 HydrophobicContact CB-CD2 4.42Å; L918-Y922 HydrophobicContact CD2-CE2 4.41Å; L918-Y922 VanDerWaalsContact O-CD2 3.25Å; L918-Y922 WeakPolarHBondContact O-CD2 3.44Å; L918-Y922 PolarHBondContact O-N 3.02Å; Y922-H924 VanDerWaalsContact C-N 3.27Å; Y922-H924 PolarHBondContact O-N 2.89Å; Y922-I925 HydrophobicContact CD1-CD1 4.48Å; Y922-I925 PolarHBondContact O-N 3.2Å; Y922-I925 VanDerWaalsContact O-N 3.16Å; Y922-Y926 AromaticContact CD1-CE2 3.51Å; Y922-Y926 HydrophobicContact CD1-CE2 3.51Å; Y922-Y926 AromaticContact CD1-CZ 3.82Å; Y922-Y926 WeakPolarHBondContact CD1-OH 3.47Å; Y922-Y926 HydrophobicContact CE1-CE2 4.47Å; Y922-Y926 HydrophobicContact CG-CE2 4.11Å; Y922-Y926 WeakPolarHBondContact O-CD2 3.41Å; Y922-Y926 PolarHBondContact O-N 2.91Å
923	S	93.5	Very high	94.7	Very high	55 Å²	55	51 Å²	51	39%	0.385	27%	0.27	S	S	.	.	H	α-helix	trans	-58.2	-39.6	174.3	-180	0	0	0	0	112	N919 I920 S927	N919-S923 WeakPolarHBondContact O-CB 3.38Å; N919-S923 PolarHBondContact O-N 3.39Å; I920-S923 PolarHBondContact O-N 2.94Å; S923-S927 WeakPolarHBondContact O-CB 3.37Å; S923-S927 PolarHBondContact O-N 3.36Å
924	H	93.3	Very high	94.8	Very high	120 Å²	120	50.8 Å²	50.8	56%	0.556	27%	0.27	S	S	*	.	H	α-helix	trans	-66.9	-44.1	174.7	-170.5	75	0	0	0	112.3	F751 I920 A921 Y922 Y926 S927	F751-H924 AromaticContact CE2-CD2 3.88Å; I920-H924 WeakPolarHBondContact O-CB 3.18Å; I920-H924 PolarHBondContact O-N 3.21Å; A921-H924 PolarHBondContact O-N 2.77Å; Y922-H924 VanDerWaalsContact C-N 3.27Å; Y922-H924 PolarHBondContact O-N 2.89Å; H924-Y926 PolarHBondContact O-N 2.84Å; H924-S927 WeakPolarHBondContact O-CB 3.18Å; H924-S927 PolarHBondContact O-N 2.9Å; H924-S927 PolarHBondContact O-OG 2.92Å
925	I	94.5	Very high	94.8	Very high	41 Å²	41	52.9 Å²	52.9	21%	0.21	28%	0.282	C	S	.	.	H	α-helix	trans	-57.1	-51.2	174.6	-69.7	164.3	0	0	0	110.8	L747 F751 A921 Y922 S927 S928	L747-I925 HydrophobicContact CD1-CD1 3.67Å; F751-I925 HydrophobicContact CD1-CD1 3.93Å; F751-I925 HydrophobicContact CD1-CG1 4.37Å; F751-I925 HydrophobicContact CD2-CG1 4.23Å; F751-I925 HydrophobicContact CE1-CD1 4.17Å; F751-I925 HydrophobicContact CE1-CG1 4.37Å; F751-I925 HydrophobicContact CE2-CG1 4.23Å; F751-I925 HydrophobicContact CG-CD1 4.13Å; F751-I925 HydrophobicContact CG-CG1 4.29Å; F751-I925 HydrophobicContact CZ-CG1 4.29Å; A921-I925 VanDerWaalsContact O-CG1 3.32Å; A921-I925 WeakPolarHBondContact O-CG1 3.39Å; A921-I925 PolarHBondContact O-N 2.69Å; Y922-I925 HydrophobicContact CD1-CD1 4.48Å; Y922-I925 PolarHBondContact O-N 3.2Å; Y922-I925 VanDerWaalsContact O-N 3.16Å; I925-S927 VanDerWaalsContact C-N 3.33Å; I925-S927 PolarHBondContact O-N 2.77Å; I925-S928 WeakPolarHBondContact O-CB 3.41Å; I925-S928 PolarHBondContact O-N 3.49Å; I925-S928 PolarHBondContact O-OG 3.45Å
926	Y	94.5	Very high	94.9	Very high	11 Å²	11	53.3 Å²	53.3	4%	0.043	28%	0.284	C	S	.	.	H	α-helix	trans	-76	-17.1	-176.2	-56.7	-52.2	0	0	0	114.2	V820 E821 W824 Y913 Y922 H924 S928 Y929	V820-Y926 HydrophobicContact CG1-CD1 4.24Å; E821-Y926 HydrophobicContact CB-CD2 4.16Å; E821-Y926 HydrophobicContact CB-CG 4.14Å; E821-Y926 HydrophobicContact CG-CD2 3.78Å; E821-Y926 HydrophobicContact CG-CG 4.23Å; W824-Y926 HydrophobicContact CB-CE1 4.03Å; W824-Y926 HydrophobicContact CB-CE2 3.99Å; W824-Y926 VanDerWaalsContact CB-CZ 3.43Å; W824-Y926 WeakPolarHBondContact CB-OH 3.31Å; W824-Y926 AromaticContact CD1-CE1 3.41Å; W824-Y926 VanDerWaalsContact CD1-CE1 3.41Å; W824-Y926 AromaticContact CD1-CZ 3.74Å; W824-Y926 AromaticContact CG-CE1 3.76Å; W824-Y926 HydrophobicContact CG-CE1 3.76Å; W824-Y926 AromaticContact CG-CZ 3.57Å; Y913-Y926 HydrophobicContact CE1-CE2 4.24Å; Y922-Y926 AromaticContact CD1-CE2 3.51Å; Y922-Y926 HydrophobicContact CD1-CE2 3.51Å; Y922-Y926 AromaticContact CD1-CZ 3.82Å; Y922-Y926 WeakPolarHBondContact CD1-OH 3.47Å; Y922-Y926 HydrophobicContact CE1-CE2 4.47Å; Y922-Y926 HydrophobicContact CG-CE2 4.11Å; Y922-Y926 WeakPolarHBondContact O-CD2 3.41Å; Y922-Y926 PolarHBondContact O-N 2.91Å; H924-Y926 PolarHBondContact O-N 2.84Å; Y926-S928 PolarHBondContact O-N 2.91Å; Y926-S928 VanDerWaalsContact O-N 3.09Å; Y926-Y929 HydrophobicContact CD1-CD2 4.4Å; Y926-Y929 HydrophobicContact CD1-CE2 4.47Å; Y926-Y929 WeakPolarHBondContact O-CB 3.38Å; Y926-Y929 PolarHBondContact O-N 3.29Å
927	S	93.9	Very high	95	Very high	52 Å²	52	46 Å²	46	36%	0.364	25%	0.252	S	S	.	.	H	α-helix	trans	-54.9	-28.7	170.4	76.3	0	0	0	0	113	S923 H924 I925 Y929 R930	S923-S927 WeakPolarHBondContact O-CB 3.37Å; S923-S927 PolarHBondContact O-N 3.36Å; H924-S927 WeakPolarHBondContact O-CB 3.18Å; H924-S927 PolarHBondContact O-N 2.9Å; H924-S927 PolarHBondContact O-OG 2.92Å; I925-S927 VanDerWaalsContact C-N 3.33Å; I925-S927 PolarHBondContact O-N 2.77Å; S927-Y929 PolarHBondContact O-N 2.99Å; S927-R930 PolarHBondContact O-N 3.42Å
928	S	94.2	Very high	95.1	Very high	82 Å²	82	43.6 Å²	43.6	57%	0.573	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-19	176.7	-59.2	0	0	0	0	114.1	I925 Y926	I925-S928 WeakPolarHBondContact O-CB 3.41Å; I925-S928 PolarHBondContact O-N 3.49Å; I925-S928 PolarHBondContact O-OG 3.45Å; Y926-S928 PolarHBondContact O-N 2.91Å; Y926-S928 VanDerWaalsContact O-N 3.09Å
929	Y	95.5	Very high	95.1	Very high	73 Å²	73	46.9 Å²	46.9	29%	0.286	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-14.4	-178.4	-66.9	-94.4	0	0	0	112.8	V820 Y926 S927 N931 F932 P936 H937	V820-Y929 HydrophobicContact CB-CD1 4.43Å; V820-Y929 HydrophobicContact CB-CG 4.4Å; V820-Y929 HydrophobicContact CG1-CD1 4.03Å; V820-Y929 HydrophobicContact CG1-CD2 4.28Å; V820-Y929 HydrophobicContact CG1-CE1 4.19Å; V820-Y929 HydrophobicContact CG1-CE2 4.44Å; V820-Y929 HydrophobicContact CG1-CG 4.07Å; V820-Y929 HydrophobicContact CG2-CD1 4.17Å; Y926-Y929 HydrophobicContact CD1-CD2 4.4Å; Y926-Y929 HydrophobicContact CD1-CE2 4.47Å; Y926-Y929 WeakPolarHBondContact O-CB 3.38Å; Y926-Y929 PolarHBondContact O-N 3.29Å; S927-Y929 PolarHBondContact O-N 2.99Å; Y929-N931 VanDerWaalsContact C-N 3.3Å; Y929-N931 PolarHBondContact O-N 3.15Å; Y929-F932 VanDerWaalsContact O-O 3.11Å; Y929-P936 HydrophobicContact CD1-CB 4.22Å; Y929-P936 HydrophobicContact CD1-CG 4.06Å; Y929-P936 HydrophobicContact CE1-CB 3.83Å; Y929-P936 HydrophobicContact CE1-CG 3.92Å; Y929-H937 PolarHBondContact O-CE1 3.01Å; Y929-H937 PolarHBondContact O-NE2 3.33Å
930	R	94.4	Very high	95.2	Very high	64 Å²	64	45.6 Å²	45.6	24%	0.242	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-15.2	-169.6	-54.2	-55.3	-63.7	-96.8	5.1	115.8	E814 D815 T817 S927	E814-R930 IonicContact OE2-CZ 3.34Å; E814-R930 IonicContact OE2-NH1 3.66Å; E814-R930 PolarHBondContact OE2-NH1 2.83Å; E814-R930 IonicContact OE2-NH2 3.66Å; E814-R930 PolarHBondContact OE2-NH2 2.67Å; D815-R930 IonicContact OD1-CZ 2.82Å; D815-R930 IonicContact OD1-NE 3.85Å; D815-R930 IonicContact OD1-NH2 3.89Å; D815-R930 PolarHBondContact OD1-NH2 2.89Å; T817-R930 WeakPolarHBondContact OG1-CA 3.41Å; T817-R930 WeakPolarHBondContact OG1-CD 3.49Å; T817-R930 PolarHBondContact OG1-NE 3.44Å; S927-R930 PolarHBondContact O-N 3.42Å
931	N	94.1	Very high	95.3	Very high	131 Å²	131	39.7 Å²	39.7	70%	0.701	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.1	0.9	-172	-62.2	-46.4	0	0	0	114.2	Y929	Y929-N931 VanDerWaalsContact C-N 3.3Å; Y929-N931 PolarHBondContact O-N 3.15Å
932	F	96.6	Very high	95.3	Very high	21 Å²	21	39.5 Å²	39.5	9%	0.092	21%	0.212	C	C	.	.			trans	-156.3	157.2	179.2	74	-80.2	0	0	0	111.6	R887 F888 V889 Y929 P936 H937	R887-F932 HydrophobicContact CB-CD2 4.22Å; R887-F932 HydrophobicContact CG-CD2 3.73Å; R887-F932 HydrophobicContact CG-CE2 4.21Å; F888-F932 CarbonylContact O-C 3.59Å; F888-F932 WeakPolarHBondContact O-CA 3.29Å; F888-F932 WeakPolarHBondContact O-CB 3.38Å; V889-F932 HydrophobicContact CG1-CB 4.44Å; Y929-F932 VanDerWaalsContact O-O 3.11Å; F932-P936 HydrophobicContact CE2-CG 4.15Å; F932-P936 HydrophobicContact CZ-CG 4.17Å; F932-H937 AromaticContact CE2-CE1 3.77Å; F932-H937 AromaticContact CE2-ND1 3.99Å; F932-H937 AromaticContact CZ-CE1 3.91Å; F932-H937 PolarHBondContact O-CE1 3.2Å; F932-H937 PolarHBondContact O-NE2 3.02Å
933	V	97.4	Very high	95.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-109.5	146.3	162.5	177	0	0	0	0	108.5	T817 F875 Y879 R887 F888 H937 F938	T817-V933 HydrophobicContact CG2-CG2 3.89Å; F875-V933 HydrophobicContact CD2-CB 4.43Å; F875-V933 HydrophobicContact CD2-CG1 4.4Å; F875-V933 HydrophobicContact CD2-CG2 4.26Å; F875-V933 HydrophobicContact CE2-CB 3.94Å; F875-V933 HydrophobicContact CE2-CG1 3.78Å; F875-V933 HydrophobicContact CE2-CG2 4.28Å; Y879-V933 HydrophobicContact CD1-CG2 4.35Å; Y879-V933 HydrophobicContact CE1-CB 4.45Å; Y879-V933 HydrophobicContact CE1-CG2 3.74Å; R887-V933 CarbonylContact C-O 3.6Å; R887-V933 VanDerWaalsContact CA-O 3.3Å; R887-V933 WeakPolarHBondContact CA-O 3.23Å; F888-V933 HydrophobicContact CB-CB 4.22Å; F888-V933 PolarHBondContact N-O 3.03Å; F888-V933 PolarHBondContact O-N 2.92Å; V933-H937 HydrophobicContact CG1-CB 4.07Å; V933-F938 HydrophobicContact CG1-CE2 4.04Å; V933-F938 HydrophobicContact CG1-CZ 4.39Å
934	G	96.1	Very high	95.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	172.4	-169.5	-172	0	0	0	0	0	112.4	P936 H937 F938	G934-P936 VanDerWaalsContact C-CD 3.43Å; G934-P936 WeakPolarHBondContact O-CD 3.48Å; G934-P936 VanDerWaalsContact O-N 3.08Å; G934-H937 PolarHBondContact N-ND1 3.45Å; G934-H937 WeakPolarHBondContact O-CA 3.47Å; G934-H937 WeakPolarHBondContact O-CB 3.46Å; G934-H937 PolarHBondContact O-N 2.95Å; G934-F938 WeakPolarHBondContact O-CD2 3.34Å; G934-F938 PolarHBondContact O-N 3.2Å; G934-F938 VanDerWaalsContact O-N 3.13Å
935	P	95.5	Very high	95.3	Very high	53 Å²	53	39.6 Å²	39.6	34%	0.344	20%	0.202	S	C	.	.	H	α-helix	trans	-44.7	-41.6	-170.2	-33.1	34.6	0	0	0	118.3	N886 K939	N886-P935 WeakPolarHBondContact O-CD 3.34Å; P935-K939 VanDerWaalsContact O-CG 3.32Å; P935-K939 WeakPolarHBondContact O-CG 3.49Å; P935-K939 PolarHBondContact O-N 2.78Å; P935-K939 VanDerWaalsContact O-N 3.12Å
936	P	95.7	Very high	95.2	Very high	44 Å²	44	39 Å²	39	29%	0.286	21%	0.205	S	C	.	.	H	α-helix	trans	-62	-45.9	174.7	22.7	-32.5	0	0	0	112.1	Y929 F932 G934 K939 T940	Y929-P936 HydrophobicContact CD1-CB 4.22Å; Y929-P936 HydrophobicContact CD1-CG 4.06Å; Y929-P936 HydrophobicContact CE1-CB 3.83Å; Y929-P936 HydrophobicContact CE1-CG 3.92Å; F932-P936 HydrophobicContact CE2-CG 4.15Å; F932-P936 HydrophobicContact CZ-CG 4.17Å; G934-P936 VanDerWaalsContact C-CD 3.43Å; G934-P936 WeakPolarHBondContact O-CD 3.48Å; G934-P936 VanDerWaalsContact O-N 3.08Å; P936-K939 PolarHBondContact O-N 2.71Å; P936-T940 PolarHBondContact O-N 2.65Å; P936-T940 PolarHBondContact O-OG1 3.26Å; P936-T940 VanDerWaalsContact O-OG1 3.14Å
937	H	97.2	Very high	95.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.7	-47.9	178.7	-52.4	95.5	0	0	0	111.9	V820 Y929 F932 V933 G934 K939 T940 I941	V820-H937 VanDerWaalsContact CG2-CD2 3.48Å; V820-H937 WeakPolarHBondContact CG2-CD2 3.36Å; Y929-H937 PolarHBondContact O-CE1 3.01Å; Y929-H937 PolarHBondContact O-NE2 3.33Å; F932-H937 AromaticContact CE2-CE1 3.77Å; F932-H937 AromaticContact CE2-ND1 3.99Å; F932-H937 AromaticContact CZ-CE1 3.91Å; F932-H937 PolarHBondContact O-CE1 3.2Å; F932-H937 PolarHBondContact O-NE2 3.02Å; V933-H937 HydrophobicContact CG1-CB 4.07Å; G934-H937 PolarHBondContact N-ND1 3.45Å; G934-H937 WeakPolarHBondContact O-CA 3.47Å; G934-H937 WeakPolarHBondContact O-CB 3.46Å; G934-H937 PolarHBondContact O-N 2.95Å; H937-K939 VanDerWaalsContact C-N 3.31Å; H937-K939 PolarHBondContact O-N 2.92Å; H937-T940 PolarHBondContact O-N 2.92Å; H937-I941 VanDerWaalsContact O-CG1 3.23Å; H937-I941 WeakPolarHBondContact O-CG1 3.15Å; H937-I941 PolarHBondContact O-N 2.98Å
938	F	96.6	Very high	95	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.018	23%	0.229	C	C	.	.	H	α-helix	trans	-60.2	-40.1	177.9	-75.3	-78.6	0	0	0	112.1	F875 F888 V933 G934 I941 C942 F1030 L1033 I1034 A1037	F875-F938 HydrophobicContact CZ-CZ 4.46Å; F888-F938 HydrophobicContact CD2-CE2 4.35Å; F888-F938 HydrophobicContact CE2-CE2 4.03Å; F888-F938 AromaticContact CE2-CZ 3.9Å; F888-F938 HydrophobicContact CE2-CZ 3.9Å; V933-F938 HydrophobicContact CG1-CE2 4.04Å; V933-F938 HydrophobicContact CG1-CZ 4.39Å; G934-F938 WeakPolarHBondContact O-CD2 3.34Å; G934-F938 PolarHBondContact O-N 3.2Å; G934-F938 VanDerWaalsContact O-N 3.13Å; F938-I941 PolarHBondContact O-N 2.89Å; F938-C942 PolarHBondContact O-N 2.71Å; F938-C942 PolarHBondContact O-SG 3.42Å; F938-F1030 HydrophobicContact CD1-CD2 4.45Å; F938-F1030 HydrophobicContact CD1-CE2 4.16Å; F938-F1030 AromaticContact CE1-CD2 3.46Å; F938-F1030 HydrophobicContact CE1-CD2 3.46Å; F938-F1030 VanDerWaalsContact CE1-CD2 3.46Å; F938-F1030 AromaticContact CE1-CE2 3.56Å; F938-F1030 HydrophobicContact CE1-CE2 3.56Å; F938-F1030 HydrophobicContact CE1-CG 4.15Å; F938-F1030 HydrophobicContact CE1-CZ 4.35Å; F938-F1030 HydrophobicContact CZ-CD2 4.06Å; F938-F1030 HydrophobicContact CZ-CE2 4.41Å; F938-L1033 HydrophobicContact CD1-CB 4.08Å; F938-L1033 HydrophobicContact CD2-CB 4.26Å; F938-L1033 HydrophobicContact CE1-CB 3.77Å; F938-L1033 HydrophobicContact CE2-CB 4Å; F938-L1033 HydrophobicContact CE2-CD1 3.94Å; F938-L1033 HydrophobicContact CG-CB 4.33Å; F938-L1033 HydrophobicContact CZ-CB 3.75Å; F938-L1033 HydrophobicContact CZ-CD1 3.9Å; F938-L1033 HydrophobicContact CZ-CG 4.5Å; F938-I1034 HydrophobicContact CB-CD1 4.49Å; F938-I1034 HydrophobicContact CD1-CB 4.21Å; F938-I1034 HydrophobicContact CD1-CD1 3.9Å; F938-A1037 HydrophobicContact CB-CB 3.8Å
939	K	95.4	Very high	95	Very high	71 Å²	71	42 Å²	42	31%	0.309	20%	0.202	S	C	.	.	H	α-helix	trans	-64.4	-41.3	175	-72.8	179.8	-178.9	-163.6	0	112.8	P935 P936 H937 C942 R943 A1037	P935-K939 VanDerWaalsContact O-CG 3.32Å; P935-K939 WeakPolarHBondContact O-CG 3.49Å; P935-K939 PolarHBondContact O-N 2.78Å; P935-K939 VanDerWaalsContact O-N 3.12Å; P936-K939 PolarHBondContact O-N 2.71Å; H937-K939 VanDerWaalsContact C-N 3.31Å; H937-K939 PolarHBondContact O-N 2.92Å; K939-C942 PolarHBondContact O-N 3.16Å; K939-R943 WeakPolarHBondContact O-CG 3.42Å; K939-R943 PolarHBondContact O-N 2.97Å; K939-A1037 HydrophobicContact CG-CB 4.3Å
940	T	95.9	Very high	95	Very high	4 Å²	4	38.8 Å²	38.8	3%	0.025	19%	0.19	C	C	.	.	H	α-helix	trans	-65	-41.7	174.8	-58.6	0	0	0	0	111.7	I819 E823 P936 H937 R943 L944	I819-T940 HydrophobicContact CB-CG2 4.43Å; I819-T940 HydrophobicContact CD1-CG2 4.34Å; I819-T940 HydrophobicContact CG1-CG2 4.01Å; I819-T940 HydrophobicContact CG2-CG2 4.02Å; I819-T940 WeakPolarHBondContact O-CG2 3.43Å; E823-T940 HydrophobicContact CB-CG2 3.57Å; E823-T940 HydrophobicContact CG-CG2 4.17Å; E823-T940 WeakPolarHBondContact OE2-CB 3.34Å; E823-T940 VanDerWaalsContact OE2-CG2 3.29Å; E823-T940 WeakPolarHBondContact OE2-CG2 3.47Å; E823-T940 PolarHBondContact OE2-OG1 3Å; P936-T940 PolarHBondContact O-N 2.65Å; P936-T940 PolarHBondContact O-OG1 3.26Å; P936-T940 VanDerWaalsContact O-OG1 3.14Å; H937-T940 PolarHBondContact O-N 2.92Å; T940-R943 PolarHBondContact O-N 3.5Å; T940-L944 HydrophobicContact CG2-CD1 3.81Å; T940-L944 HydrophobicContact CG2-CG 4.41Å; T940-L944 WeakPolarHBondContact O-CG 3.37Å; T940-L944 PolarHBondContact O-N 3.08Å; T940-L944 VanDerWaalsContact O-N 3.15Å
941	I	96.7	Very high	95	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.3	-47.1	175.1	-65.8	163	0	0	0	110.2	L816 I819 V867 H937 F938 R943 L944 L945 F1030 I1034	L816-I941 HydrophobicContact CD1-CD1 4.04Å; L816-I941 HydrophobicContact CD1-CG1 4.48Å; L816-I941 HydrophobicContact CD2-CD1 4.37Å; L816-I941 HydrophobicContact CG-CD1 4.39Å; I819-I941 HydrophobicContact CD1-CB 4.37Å; I819-I941 HydrophobicContact CD1-CG1 3.57Å; I819-I941 HydrophobicContact CG2-CG1 4.27Å; V867-I941 HydrophobicContact CG1-CG2 4.17Å; H937-I941 VanDerWaalsContact O-CG1 3.23Å; H937-I941 WeakPolarHBondContact O-CG1 3.15Å; H937-I941 PolarHBondContact O-N 2.98Å; F938-I941 PolarHBondContact O-N 2.89Å; I941-R943 PolarHBondContact O-N 3.15Å; I941-L944 PolarHBondContact O-N 3.29Å; I941-L945 HydrophobicContact CG2-CD1 4.15Å; I941-L945 HydrophobicContact CG2-CD2 3.82Å; I941-L945 HydrophobicContact CG2-CG 4.47Å; I941-L945 WeakPolarHBondContact O-CB 3.2Å; I941-L945 PolarHBondContact O-N 2.8Å; I941-F1030 HydrophobicContact CD1-CE2 4.32Å; I941-F1030 HydrophobicContact CG2-CZ 4.42Å; I941-I1034 HydrophobicContact CB-CD1 3.93Å; I941-I1034 HydrophobicContact CG2-CD1 3.63Å
942	C	94.9	Very high	95	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-53.9	-52.8	178.5	-73.4	0	0	0	0	112.6	F938 K939 L944 G946 I950 I1034 A1037 L1038 E1041	F938-C942 PolarHBondContact O-N 2.71Å; F938-C942 PolarHBondContact O-SG 3.42Å; K939-C942 PolarHBondContact O-N 3.16Å; C942-L944 PolarHBondContact O-N 3.41Å; C942-G946 WeakPolarHBondContact O-CA 3.17Å; C942-G946 PolarHBondContact O-N 2.92Å; C942-I950 HydrophobicContact CB-CD1 4.36Å; C942-I1034 WeakPolarHBondContact SG-CD1 3.33Å; C942-I1034 PolarHBondContact SG-O 3.32Å; C942-A1037 VanDerWaalsContact SG-CB 3.52Å; C942-L1038 PolarHBondContact SG-N 3.11Å; C942-E1041 WeakPolarHBondContact CB-OE2 3.49Å
943	R	93	Very high	94.9	Very high	134 Å²	134	32.2 Å²	32.2	51%	0.506	17%	0.169	S	C	.	.	H	α-helix	trans	-60.5	-41.9	-179.8	-67.8	169.8	-171	160	3.7	113.7	E823 K939 T940 I941 E1041	E823-R943 WeakPolarHBondContact OE1-CD 3.49Å; E823-R943 IonicContact OE1-CZ 3.7Å; E823-R943 IonicContact OE1-NE 2.72Å; E823-R943 IonicContact OE1-NH1 2.65Å; E823-R943 PolarHBondContact OE1-NH1 2.99Å; E823-R943 IonicContact OE2-NH1 2.77Å; K939-R943 WeakPolarHBondContact O-CG 3.42Å; K939-R943 PolarHBondContact O-N 2.97Å; T940-R943 PolarHBondContact O-N 3.5Å; I941-R943 PolarHBondContact O-N 3.15Å; R943-E1041 VanDerWaalsContact CG-OE1 3.29Å; R943-E1041 WeakPolarHBondContact CG-OE1 3.48Å; R943-E1041 WeakPolarHBondContact CG-OE2 3.41Å; R943-E1041 PolarHBondContact N-OE2 3.22Å
944	L	94.8	Very high	94.7	Very high	32 Å²	32	32.7 Å²	32.7	17%	0.168	17%	0.171	C	C	.	.	H	α-helix	trans	-80.8	-30	-173.7	-67.4	178.5	0	0	0	113	I819 L822 L826 I863 T940 I941 C942	I819-L944 HydrophobicContact CD1-CD1 4Å; I819-L944 HydrophobicContact CG1-CD1 3.83Å; L822-L944 HydrophobicContact CD2-CD1 4.08Å; L826-L944 HydrophobicContact CD1-CD2 4Å; I863-L944 HydrophobicContact CG2-CB 4.17Å; I863-L944 HydrophobicContact CG2-CD1 4.3Å; T940-L944 HydrophobicContact CG2-CD1 3.81Å; T940-L944 HydrophobicContact CG2-CG 4.41Å; T940-L944 WeakPolarHBondContact O-CG 3.37Å; T940-L944 PolarHBondContact O-N 3.08Å; T940-L944 VanDerWaalsContact O-N 3.15Å; I941-L944 PolarHBondContact O-N 3.29Å; C942-L944 PolarHBondContact O-N 3.41Å
945	L	94.4	Very high	94.7	Very high	15 Å²	15	36.3 Å²	36.3	8%	0.079	19%	0.188	C	C	.	.	H	α-helix	trans	-86.9	-35.5	176.8	-89.6	60.3	0	0	0	112.5	I863 T864 V867 I941 G949 I950 V953	I863-L945 HydrophobicContact CG2-CD1 4.5Å; T864-L945 HydrophobicContact CG2-CD2 4.47Å; T864-L945 HydrophobicContact CG2-CG 4.1Å; V867-L945 HydrophobicContact CB-CD1 4.25Å; V867-L945 HydrophobicContact CG1-CD1 4.41Å; V867-L945 HydrophobicContact CG1-CD2 4.05Å; V867-L945 HydrophobicContact CG2-CD1 4Å; I941-L945 HydrophobicContact CG2-CD1 4.15Å; I941-L945 HydrophobicContact CG2-CD2 3.82Å; I941-L945 HydrophobicContact CG2-CG 4.47Å; I941-L945 WeakPolarHBondContact O-CB 3.2Å; I941-L945 PolarHBondContact O-N 2.8Å; L945-G949 WeakPolarHBondContact O-CA 3.19Å; L945-G949 PolarHBondContact O-N 2.78Å; L945-I950 HydrophobicContact CB-CG1 4.26Å; L945-V953 HydrophobicContact CD2-CG2 3.79Å
946	G	92.4	Very high	94.6	Very high	27 Å²	27	36.3 Å²	36.3	28%	0.278	18%	0.183	S	C	.	.	H	α-helix	trans	57.4	-172.4	-168.4	0	0	0	0	0	113.1	C942 Q948 G949 I950	C942-G946 WeakPolarHBondContact O-CA 3.17Å; C942-G946 PolarHBondContact O-N 2.92Å; G946-Q948 VanDerWaalsContact C-N 3.33Å; G946-Q948 PolarHBondContact O-N 2.81Å; G946-G949 PolarHBondContact O-N 2.83Å; G946-I950 VanDerWaalsContact O-CG1 3.26Å; G946-I950 WeakPolarHBondContact O-CG1 3.39Å; G946-I950 PolarHBondContact O-N 2.94Å
947	Y	93	Very high	94.6	Very high	94 Å²	94	34.2 Å²	34.2	37%	0.369	17%	0.17	S	C	.	.	H	α-helix	trans	-54	-46.3	-179.7	-66.9	-72.5	0	0	0	113.6	I950 A951 L1038 E1042 R1109 L1110	Y947-I950 PolarHBondContact O-N 3.43Å; Y947-A951 VanDerWaalsContact O-CB 3.28Å; Y947-A951 WeakPolarHBondContact O-CB 3.49Å; Y947-A951 PolarHBondContact O-N 3.47Å; Y947-L1038 HydrophobicContact CD1-CD2 4.16Å; Y947-L1038 HydrophobicContact CE1-CD1 3.98Å; Y947-L1038 HydrophobicContact CE1-CD2 3.93Å; Y947-L1038 HydrophobicContact CE1-CG 4.33Å; Y947-E1042 VanDerWaalsContact CE1-OE1 3.29Å; Y947-E1042 WeakPolarHBondContact CE1-OE1 3.36Å; Y947-E1042 VanDerWaalsContact OH-CG 3.31Å; Y947-E1042 WeakPolarHBondContact OH-CG 3.28Å; Y947-E1042 PolarHBondContact OH-OE1 3.49Å; Y947-R1109 VanDerWaalsContact OH-CZ 3.29Å; Y947-R1109 PolarHBondContact OH-NE 2.7Å; Y947-R1109 PolarHBondContact OH-NH2 3.44Å; Y947-L1110 HydrophobicContact CD1-CD1 4.32Å; Y947-L1110 HydrophobicContact CE1-CD1 4.04Å; Y947-L1110 HydrophobicContact CE1-CG 4.09Å
948	Q	92.1	Very high	94.5	Very high	113 Å²	113	34.4 Å²	34.4	53%	0.528	17%	0.171	S	C	.	.	H	α-helix	trans	-67	-39.6	-176.9	-178.8	170.6	-1	0	0	112.3	P859 Y860 G946 V952	P859-Q948 PolarHBondContact O-NE2 3.29Å; P859-Q948 VanDerWaalsContact O-NE2 3.07Å; Y860-Q948 HydrophobicContact CD1-CG 4.26Å; Y860-Q948 HydrophobicContact CE1-CG 3.82Å; G946-Q948 VanDerWaalsContact C-N 3.33Å; G946-Q948 PolarHBondContact O-N 2.81Å; Q948-V952 PolarHBondContact O-N 3.29Å
949	G	93.9	Very high	94.5	Very high	2 Å²	2	39.4 Å²	39.4	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-70.1	-41.1	175.5	0	0	0	0	0	112.7	L945 G946 V952 V953	L945-G949 WeakPolarHBondContact O-CA 3.19Å; L945-G949 PolarHBondContact O-N 2.78Å; G946-G949 PolarHBondContact O-N 2.83Å; G949-V952 VanDerWaalsContact O-CG1 3.29Å; G949-V952 WeakPolarHBondContact O-CG1 3.48Å; G949-V953 WeakPolarHBondContact O-CG2 3.32Å; G949-V953 PolarHBondContact O-N 3.13Å; G949-V953 VanDerWaalsContact O-N 3.08Å
950	I	94.6	Very high	94.5	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-63.1	-43.9	175.9	-65.5	166.4	0	0	0	110.3	C942 L945 G946 Y947 V953 M954 I1034 L1038	C942-I950 HydrophobicContact CB-CD1 4.36Å; L945-I950 HydrophobicContact CB-CG1 4.26Å; G946-I950 VanDerWaalsContact O-CG1 3.26Å; G946-I950 WeakPolarHBondContact O-CG1 3.39Å; G946-I950 PolarHBondContact O-N 2.94Å; Y947-I950 PolarHBondContact O-N 3.43Å; I950-V953 PolarHBondContact O-N 2.86Å; I950-M954 HydrophobicContact CG2-CE 3.99Å; I950-M954 HydrophobicContact CG2-CG 4.4Å; I950-M954 HydrophobicContact CG2-SD 4.43Å; I950-M954 WeakPolarHBondContact O-CG 3.5Å; I950-M954 PolarHBondContact O-N 3.18Å; I950-I1034 HydrophobicContact CD1-CG1 4.46Å; I950-I1034 HydrophobicContact CG1-CG1 4.25Å; I950-I1034 HydrophobicContact CG2-CG1 4.39Å; I950-I1034 HydrophobicContact CG2-CG2 4.3Å; I950-L1038 HydrophobicContact CD1-CB 4.43Å; I950-L1038 HydrophobicContact CD1-CD1 4.03Å; I950-L1038 HydrophobicContact CD1-CD2 3.96Å; I950-L1038 HydrophobicContact CD1-CG 4.37Å
951	A	93.9	Very high	94.5	Very high	52 Å²	52	37.2 Å²	37.2	43%	0.43	18%	0.184	S	C	.	.	H	α-helix	trans	-60.6	-47.4	179.5	0	0	0	0	0	112.5	Y947 M954 E955	Y947-A951 VanDerWaalsContact O-CB 3.28Å; Y947-A951 WeakPolarHBondContact O-CB 3.49Å; Y947-A951 PolarHBondContact O-N 3.47Å; A951-M954 PolarHBondContact O-N 2.97Å; A951-E955 WeakPolarHBondContact O-CG 3.3Å; A951-E955 PolarHBondContact O-N 3.32Å
952	V	94.3	Very high	94.4	Very high	24 Å²	24	41.6 Å²	41.6	15%	0.145	20%	0.203	C	C	.	.	H	α-helix	trans	-65.8	-40	177.5	67.8	0	0	0	0	111.7	Y860 T864 Q948 G949 M954 E955 E956	Y860-V952 HydrophobicContact CD1-CB 4.37Å; Y860-V952 HydrophobicContact CD1-CG1 3.75Å; Y860-V952 HydrophobicContact CE1-CB 3.7Å; Y860-V952 HydrophobicContact CE1-CG1 3.57Å; Y860-V952 HydrophobicContact CE1-CG2 4.13Å; Y860-V952 HydrophobicContact CE2-CB 4.5Å; Y860-V952 HydrophobicContact CE2-CG2 4.02Å; Y860-V952 HydrophobicContact CG-CG1 4.38Å; T864-V952 HydrophobicContact CG2-CG1 4.03Å; Q948-V952 PolarHBondContact O-N 3.29Å; G949-V952 VanDerWaalsContact O-CG1 3.29Å; G949-V952 WeakPolarHBondContact O-CG1 3.48Å; V952-M954 PolarHBondContact O-N 2.99Å; V952-E955 PolarHBondContact O-N 3.39Å; V952-E956 HydrophobicContact CG2-CG 4.3Å; V952-E956 WeakPolarHBondContact O-CG 3.3Å; V952-E956 PolarHBondContact O-N 3.04Å
953	V	95.1	Very high	94.5	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-61.8	-43.4	175.9	169.5	0	0	0	0	111.2	F868 L871 L945 G949 I950 E955 E956 L957 F1030	F868-V953 HydrophobicContact CB-CG2 4.35Å; L871-V953 HydrophobicContact CD1-CG1 3.55Å; L945-V953 HydrophobicContact CD2-CG2 3.79Å; G949-V953 WeakPolarHBondContact O-CG2 3.32Å; G949-V953 PolarHBondContact O-N 3.13Å; G949-V953 VanDerWaalsContact O-N 3.08Å; I950-V953 PolarHBondContact O-N 2.86Å; V953-E955 PolarHBondContact O-N 3.37Å; V953-E956 PolarHBondContact O-N 3.19Å; V953-L957 HydrophobicContact CG1-CD1 3.88Å; V953-L957 HydrophobicContact CG1-CG 4.25Å; V953-L957 WeakPolarHBondContact O-CB 3.43Å; V953-L957 WeakPolarHBondContact O-CG 3.47Å; V953-L957 PolarHBondContact O-N 3.46Å; V953-F1030 HydrophobicContact CG1-CD1 4.42Å; V953-F1030 HydrophobicContact CG1-CE1 3.72Å; V953-F1030 HydrophobicContact CG1-CZ 4.36Å
954	M	93.8	Very high	94.6	Very high	11 Å²	11	40.4 Å²	40.4	5%	0.054	21%	0.213	C	C	.	.	H	α-helix	trans	-62.9	-40.6	175.3	-73.6	-167.1	176.3	0	0	112.8	I950 A951 V952 L958 C1031 I1034 M1116 I1120	I950-M954 HydrophobicContact CG2-CE 3.99Å; I950-M954 HydrophobicContact CG2-CG 4.4Å; I950-M954 HydrophobicContact CG2-SD 4.43Å; I950-M954 WeakPolarHBondContact O-CG 3.5Å; I950-M954 PolarHBondContact O-N 3.18Å; A951-M954 PolarHBondContact O-N 2.97Å; V952-M954 PolarHBondContact O-N 2.99Å; M954-L958 WeakPolarHBondContact O-CB 3.32Å; M954-L958 WeakPolarHBondContact O-CG 3.33Å; M954-L958 PolarHBondContact O-N 3.45Å; M954-C1031 HydrophobicContact CE-CB 4.39Å; M954-I1034 HydrophobicContact CE-CG2 3.46Å; M954-I1034 VanDerWaalsContact CE-CG2 3.46Å; M954-M1116 HydrophobicContact CE-CB 4.37Å; M954-M1116 HydrophobicContact CE-CE 3.7Å; M954-M1116 HydrophobicContact CE-SD 3.99Å; M954-M1116 HydrophobicContact SD-CB 4.28Å; M954-M1116 HydrophobicContact SD-CE 4.43Å; M954-M1116 HydrophobicContact SD-SD 3.92Å; M954-I1120 HydrophobicContact CB-CD1 4.29Å; M954-I1120 HydrophobicContact SD-CD1 4.15Å; M954-I1120 HydrophobicContact SD-CG1 4.46Å
955	E	94.6	Very high	94.6	Very high	76 Å²	76	38.9 Å²	38.9	36%	0.355	21%	0.205	S	C	.	.	H	α-helix	trans	-64.9	-43.8	176.3	-75.2	-68.6	169.1	0	0	112.6	A951 V952 V953 L958 K959 R1123	A951-E955 WeakPolarHBondContact O-CG 3.3Å; A951-E955 PolarHBondContact O-N 3.32Å; V952-E955 PolarHBondContact O-N 3.39Å; V953-E955 PolarHBondContact O-N 3.37Å; E955-L958 PolarHBondContact O-N 2.92Å; E955-K959 WeakPolarHBondContact O-CG 3.41Å; E955-K959 PolarHBondContact O-N 3.35Å; E955-K959 VanDerWaalsContact O-N 3.09Å; E955-R1123 VanDerWaalsContact CD-NH1 3.29Å; E955-R1123 IonicContact OE1-CZ 3.75Å; E955-R1123 IonicContact OE1-NH1 3.82Å; E955-R1123 PolarHBondContact OE1-NH1 2.93Å; E955-R1123 IonicContact OE1-NH2 2.84Å; E955-R1123 IonicContact OE2-CZ 2.73Å; E955-R1123 IonicContact OE2-NH1 2.94Å; E955-R1123 PolarHBondContact OE2-NH1 2.9Å; E955-R1123 IonicContact OE2-NH2 2.69Å; E955-R1123 PolarHBondContact OE2-NH2 3.38Å
956	E	95	Very high	94.6	Very high	52 Å²	52	42.2 Å²	42.2	24%	0.243	22%	0.22	C	C	.	.	H	α-helix	trans	-69.7	-38.6	176.6	-59.8	-50.4	136.8	0	0	111.9	F868 V952 V953 L958 K959 I960	F868-E956 HydrophobicContact CD2-CB 3.84Å; F868-E956 HydrophobicContact CD2-CG 4.39Å; F868-E956 HydrophobicContact CE1-CB 4.34Å; F868-E956 HydrophobicContact CE1-CG 4.39Å; F868-E956 HydrophobicContact CE2-CB 3.23Å; F868-E956 HydrophobicContact CE2-CG 4.05Å; F868-E956 HydrophobicContact CZ-CB 3.54Å; F868-E956 HydrophobicContact CZ-CG 4.05Å; V952-E956 HydrophobicContact CG2-CG 4.3Å; V952-E956 WeakPolarHBondContact O-CG 3.3Å; V952-E956 PolarHBondContact O-N 3.04Å; V953-E956 PolarHBondContact O-N 3.19Å; E956-L958 VanDerWaalsContact C-N 3.31Å; E956-L958 PolarHBondContact O-N 3.26Å; E956-K959 WeakPolarHBondContact O-CB 3.46Å; E956-K959 PolarHBondContact O-N 3.33Å; E956-K959 VanDerWaalsContact O-N 3.08Å; E956-K959 IonicContact OE1-NZ 3.47Å; E956-K959 PolarHBondContact OE1-NZ 3.04Å; E956-K959 WeakPolarHBondContact OE2-CD 3.31Å; E956-K959 IonicContact OE2-NZ 3.92Å; E956-K959 PolarHBondContact OE2-NZ 3.4Å; E956-I960 WeakPolarHBondContact O-CG1 3.35Å; E956-I960 PolarHBondContact O-N 2.87Å
957	L	95.3	Very high	94.7	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-59.9	-40.1	171.8	-73.7	176.4	0	0	0	111.8	L876 V953 K959 I960 V961 A1027 F1030	L876-L957 HydrophobicContact CD1-CD2 3.77Å; L876-L957 HydrophobicContact CD2-CD2 4.31Å; L876-L957 HydrophobicContact CG-CD2 4.42Å; V953-L957 HydrophobicContact CG1-CD1 3.88Å; V953-L957 HydrophobicContact CG1-CG 4.25Å; V953-L957 WeakPolarHBondContact O-CB 3.43Å; V953-L957 WeakPolarHBondContact O-CG 3.47Å; V953-L957 PolarHBondContact O-N 3.46Å; L957-K959 VanDerWaalsContact C-N 3.32Å; L957-K959 PolarHBondContact O-N 2.97Å; L957-I960 HydrophobicContact CD2-CD1 4.31Å; L957-I960 PolarHBondContact O-N 3.28Å; L957-V961 WeakPolarHBondContact O-CB 3.37Å; L957-V961 WeakPolarHBondContact O-CG2 3.47Å; L957-V961 PolarHBondContact O-N 3.46Å; L957-A1027 HydrophobicContact CD2-CB 4.22Å; L957-F1030 HydrophobicContact CD1-CB 4.26Å; L957-F1030 HydrophobicContact CD1-CD1 3.42Å; L957-F1030 VanDerWaalsContact CD1-CD1 3.42Å; L957-F1030 HydrophobicContact CD1-CE1 4.1Å; L957-F1030 HydrophobicContact CD1-CG 4.07Å
958	L	95	Very high	94.7	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-62.5	-36.6	172.9	-83.1	176.2	0	0	0	112.6	M954 E955 E956 K962 I1120 R1123 I1124 Y1127	M954-L958 WeakPolarHBondContact O-CB 3.32Å; M954-L958 WeakPolarHBondContact O-CG 3.33Å; M954-L958 PolarHBondContact O-N 3.45Å; E955-L958 PolarHBondContact O-N 2.92Å; E956-L958 VanDerWaalsContact C-N 3.31Å; E956-L958 PolarHBondContact O-N 3.26Å; L958-K962 VanDerWaalsContact O-CB 3.29Å; L958-K962 WeakPolarHBondContact O-CB 3.33Å; L958-K962 PolarHBondContact O-N 3.15Å; L958-I1120 HydrophobicContact CD1-CD1 3.72Å; L958-I1120 HydrophobicContact CD2-CD1 4.44Å; L958-I1120 HydrophobicContact CD2-CG2 4.05Å; L958-I1120 HydrophobicContact CG-CD1 4.08Å; L958-R1123 HydrophobicContact CD1-CB 4.33Å; L958-R1123 HydrophobicContact CD2-CB 4.29Å; L958-I1124 HydrophobicContact CD2-CD1 4.27Å; L958-I1124 HydrophobicContact CD2-CG1 3.74Å; L958-Y1127 HydrophobicContact CD2-CE2 4.2Å
959	K	95.9	Very high	94.9	Very high	108 Å²	108	35.4 Å²	35.4	47%	0.47	20%	0.198	S	C	.	.	H	α-helix	trans	-68	-40	173.9	-67.1	167.3	-170.1	169.8	0	112.1	E955 E956 L957 K962 S963	E955-K959 WeakPolarHBondContact O-CG 3.41Å; E955-K959 PolarHBondContact O-N 3.35Å; E955-K959 VanDerWaalsContact O-N 3.09Å; E956-K959 WeakPolarHBondContact O-CB 3.46Å; E956-K959 PolarHBondContact O-N 3.33Å; E956-K959 VanDerWaalsContact O-N 3.08Å; E956-K959 IonicContact OE1-NZ 3.47Å; E956-K959 PolarHBondContact OE1-NZ 3.04Å; E956-K959 WeakPolarHBondContact OE2-CD 3.31Å; E956-K959 IonicContact OE2-NZ 3.92Å; E956-K959 PolarHBondContact OE2-NZ 3.4Å; L957-K959 VanDerWaalsContact C-N 3.32Å; L957-K959 PolarHBondContact O-N 2.97Å; K959-K962 PolarHBondContact O-N 3.43Å; K959-S963 WeakPolarHBondContact O-CB 3.1Å; K959-S963 PolarHBondContact O-N 3.43Å
960	I	94.9	Very high	94.9	Very high	27 Å²	27	36.3 Å²	36.3	14%	0.138	20%	0.202	C	C	.	.	H	α-helix	trans	-61.2	-51.3	174	-66.8	161.4	0	0	0	109.8	F868 N872 L876 E956 L957 K962 S963 L964	F868-I960 HydrophobicContact CE2-CD1 3.79Å; F868-I960 HydrophobicContact CZ-CD1 4.05Å; N872-I960 HydrophobicContact CB-CD1 4.24Å; N872-I960 WeakPolarHBondContact OD1-CD1 3.23Å; L876-I960 HydrophobicContact CD1-CD1 4.29Å; L876-I960 HydrophobicContact CD1-CG2 4.12Å; E956-I960 WeakPolarHBondContact O-CG1 3.35Å; E956-I960 PolarHBondContact O-N 2.87Å; L957-I960 HydrophobicContact CD2-CD1 4.31Å; L957-I960 PolarHBondContact O-N 3.28Å; I960-K962 VanDerWaalsContact C-N 3.32Å; I960-K962 PolarHBondContact O-N 2.98Å; I960-S963 WeakPolarHBondContact O-CB 3.48Å; I960-S963 PolarHBondContact O-N 3.33Å; I960-L964 HydrophobicContact CG2-CD1 4.06Å; I960-L964 PolarHBondContact O-N 3.5Å
961	V	96.1	Very high	94.9	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.018	23%	0.23	C	C	.	.	H	α-helix	trans	-58.5	-42	176.9	169.9	0	0	0	0	111.5	L957 L965 V1024 A1027 I1124	L957-V961 WeakPolarHBondContact O-CB 3.37Å; L957-V961 WeakPolarHBondContact O-CG2 3.47Å; L957-V961 PolarHBondContact O-N 3.46Å; V961-L965 HydrophobicContact CG1-CD1 3.61Å; V961-L965 HydrophobicContact CG1-CG 4.21Å; V961-L965 VanDerWaalsContact O-CB 3.26Å; V961-L965 WeakPolarHBondContact O-CB 3.44Å; V961-L965 VanDerWaalsContact O-CG 3.28Å; V961-L965 WeakPolarHBondContact O-CG 3.15Å; V961-L965 PolarHBondContact O-N 3.44Å; V961-V1024 HydrophobicContact CG1-CG1 4.11Å; V961-V1024 HydrophobicContact CG2-CG1 4.46Å; V961-A1027 HydrophobicContact CG2-CB 3.59Å; V961-I1124 HydrophobicContact CG1-CD1 4.12Å; V961-I1124 HydrophobicContact CG1-CG1 3.97Å; V961-I1124 HydrophobicContact CG1-CG2 4.29Å
962	K	96.3	Very high	94.9	Very high	92 Å²	92	41.4 Å²	41.4	40%	0.4	22%	0.215	S	C	.	.	H	α-helix	trans	-60	-46.2	173	-176.3	-176.4	175.1	-173.2	0	111.5	L958 K959 I960 L965 Q966 Y1127	L958-K962 VanDerWaalsContact O-CB 3.29Å; L958-K962 WeakPolarHBondContact O-CB 3.33Å; L958-K962 PolarHBondContact O-N 3.15Å; K959-K962 PolarHBondContact O-N 3.43Å; I960-K962 VanDerWaalsContact C-N 3.32Å; I960-K962 PolarHBondContact O-N 2.98Å; K962-L965 PolarHBondContact O-N 2.75Å; K962-Q966 HydrophobicContact CG-CG 4.34Å; K962-Q966 VanDerWaalsContact O-CB 3.27Å; K962-Q966 WeakPolarHBondContact O-CB 3.36Å; K962-Q966 WeakPolarHBondContact O-CG 3.34Å; K962-Q966 PolarHBondContact O-N 3.21Å; K962-Y1127 HydrophobicContact CB-CD1 4.27Å; K962-Y1127 HydrophobicContact CB-CD2 3.71Å; K962-Y1127 HydrophobicContact CB-CE1 4.27Å; K962-Y1127 HydrophobicContact CB-CE2 3.7Å; K962-Y1127 HydrophobicContact CB-CG 4.03Å; K962-Y1127 HydrophobicContact CD-CD1 4.08Å; K962-Y1127 HydrophobicContact CD-CE1 3.96Å; K962-Y1127 HydrophobicContact CG-CD1 3.87Å; K962-Y1127 HydrophobicContact CG-CD2 4.14Å; K962-Y1127 HydrophobicContact CG-CE1 4.11Å; K962-Y1127 HydrophobicContact CG-CE2 4.36Å; K962-Y1127 HydrophobicContact CG-CG 3.92Å
963	S	95.5	Very high	94.8	Very high	85 Å²	85	40.3 Å²	40.3	59%	0.594	21%	0.209	S	C	*	.	H	α-helix	trans	-63.4	-42.5	-178.6	-162.2	0	0	0	0	112.1	K959 I960 G967	K959-S963 WeakPolarHBondContact O-CB 3.1Å; K959-S963 PolarHBondContact O-N 3.43Å; I960-S963 WeakPolarHBondContact O-CB 3.48Å; I960-S963 PolarHBondContact O-N 3.33Å; S963-G967 VanDerWaalsContact O-CA 3.28Å; S963-G967 WeakPolarHBondContact O-CA 3.34Å; S963-G967 PolarHBondContact O-N 3.27Å
964	L	95.3	Very high	94.8	Very high	23 Å²	23	44.2 Å²	44.2	12%	0.12	23%	0.226	C	C	.	.	H	α-helix	trans	-67.6	-49.1	175.2	-67.9	173.5	0	0	0	111.7	I960 Q966 G967 T968 I969 E1023 V1024	I960-L964 HydrophobicContact CG2-CD1 4.06Å; I960-L964 PolarHBondContact O-N 3.5Å; L964-Q966 VanDerWaalsContact C-N 3.33Å; L964-Q966 PolarHBondContact O-N 3.18Å; L964-G967 PolarHBondContact O-N 2.85Å; L964-T968 PolarHBondContact O-N 3.36Å; L964-I969 HydrophobicContact CB-CD1 3.91Å; L964-I969 HydrophobicContact CB-CG1 4.4Å; L964-I969 WeakPolarHBondContact O-CB 3.42Å; L964-I969 WeakPolarHBondContact O-CG1 3.43Å; L964-I969 PolarHBondContact O-N 2.84Å; L964-E1023 HydrophobicContact CD1-CB 3.81Å; L964-V1024 HydrophobicContact CB-CG2 3.83Å; L964-V1024 HydrophobicContact CD1-CG2 3.8Å; L964-V1024 HydrophobicContact CG-CG2 4.48Å
965	L	94.9	Very high	94.8	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-68.9	-25.6	-178.1	-71.9	176.7	0	0	0	114.1	V961 K962 I969 L970 V1024 I1124 L1128 W1133 I1188	V961-L965 HydrophobicContact CG1-CD1 3.61Å; V961-L965 HydrophobicContact CG1-CG 4.21Å; V961-L965 VanDerWaalsContact O-CB 3.26Å; V961-L965 WeakPolarHBondContact O-CB 3.44Å; V961-L965 VanDerWaalsContact O-CG 3.28Å; V961-L965 WeakPolarHBondContact O-CG 3.15Å; V961-L965 PolarHBondContact O-N 3.44Å; K962-L965 PolarHBondContact O-N 2.75Å; L965-I969 HydrophobicContact CD2-CD1 4Å; L965-L970 WeakPolarHBondContact O-CB 3.41Å; L965-V1024 HydrophobicContact CD2-CG2 4.46Å; L965-V1024 HydrophobicContact CG-CG2 4.34Å; L965-I1124 HydrophobicContact CD1-CG2 3.77Å; L965-L1128 HydrophobicContact CD1-CD2 4.28Å; L965-L1128 HydrophobicContact CD2-CD2 4.33Å; L965-W1133 WeakPolarHBondContact O-CZ2 3.41Å; L965-I1188 HydrophobicContact CD2-CD1 3.79Å; L965-I1188 HydrophobicContact CD2-CG1 4.2Å
966	Q	95.2	Very high	94.7	Very high	84 Å²	84	42.9 Å²	42.9	39%	0.393	22%	0.224	S	C	.	.	H	α-helix	trans	-102.8	-13.7	178.2	-60	-170	-34.8	0	0	113.2	K962 L964 Y1127	K962-Q966 HydrophobicContact CG-CG 4.34Å; K962-Q966 VanDerWaalsContact O-CB 3.27Å; K962-Q966 WeakPolarHBondContact O-CB 3.36Å; K962-Q966 WeakPolarHBondContact O-CG 3.34Å; K962-Q966 PolarHBondContact O-N 3.21Å; L964-Q966 VanDerWaalsContact C-N 3.33Å; L964-Q966 PolarHBondContact O-N 3.18Å; Q966-Y1127 PolarHBondContact NE2-O 3Å
967	G	94.5	Very high	94.6	Very high	33 Å²	33	41.4 Å²	41.4	34%	0.34	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-105.2	176.5	0	0	0	0	0	112	S963 L964 I969 L970 Q971	S963-G967 VanDerWaalsContact O-CA 3.28Å; S963-G967 WeakPolarHBondContact O-CA 3.34Å; S963-G967 PolarHBondContact O-N 3.27Å; L964-G967 PolarHBondContact O-N 2.85Å; G967-I969 PolarHBondContact O-N 2.53Å; G967-L970 PolarHBondContact O-N 3.23Å; G967-Q971 PolarHBondContact O-N 2.89Å
968	T	93	Very high	94.4	Very high	58 Å²	58	48.6 Å²	48.6	36%	0.356	25%	0.251	S	S	.	.	H	α-helix	trans	-56.8	-48.8	-170.3	55.6	0	0	0	0	113	L964 L970 Q971 Y972 S1020	L964-T968 PolarHBondContact O-N 3.36Å; T968-L970 PolarHBondContact O-N 3.39Å; T968-Q971 PolarHBondContact O-N 2.87Å; T968-Y972 VanDerWaalsContact O-CD2 3.23Å; T968-Y972 WeakPolarHBondContact O-CD2 3.32Å; T968-Y972 PolarHBondContact O-N 3.37Å; T968-S1020 PolarHBondContact OG1-OG 3.06Å
969	I	94.8	Very high	94.2	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-66.9	-39.8	-177.5	-54.6	172.8	0	0	0	110.1	L964 L965 G967 Q971 Y972 V973 L1021 V1024 W1133	L964-I969 HydrophobicContact CB-CD1 3.91Å; L964-I969 HydrophobicContact CB-CG1 4.4Å; L964-I969 WeakPolarHBondContact O-CB 3.42Å; L964-I969 WeakPolarHBondContact O-CG1 3.43Å; L964-I969 PolarHBondContact O-N 2.84Å; L965-I969 HydrophobicContact CD2-CD1 4Å; G967-I969 PolarHBondContact O-N 2.53Å; I969-Q971 VanDerWaalsContact C-N 3.35Å; I969-Q971 PolarHBondContact O-N 2.81Å; I969-Y972 PolarHBondContact O-N 2.86Å; I969-V973 HydrophobicContact CG2-CG2 4.07Å; I969-V973 VanDerWaalsContact O-CB 3.27Å; I969-V973 WeakPolarHBondContact O-CB 3.38Å; I969-V973 WeakPolarHBondContact O-CG2 3.49Å; I969-V973 PolarHBondContact O-N 2.81Å; I969-L1021 HydrophobicContact CD1-CD2 4.17Å; I969-L1021 HydrophobicContact CD1-CG 4.5Å; I969-L1021 HydrophobicContact CG2-CD2 4.13Å; I969-V1024 HydrophobicContact CD1-CG2 3.62Å; I969-W1133 HydrophobicContact CG2-CH2 4.06Å
970	L	94.4	Very high	94	Very high	21 Å²	21	45.9 Å²	45.9	11%	0.11	24%	0.243	C	C	.	.	H	α-helix	trans	-63.3	-41.9	176.8	-177.1	59	0	0	0	111.9	L965 G967 T968 V973 K974 D1130 I1132 W1133	L965-L970 WeakPolarHBondContact O-CB 3.41Å; G967-L970 PolarHBondContact O-N 3.23Å; T968-L970 PolarHBondContact O-N 3.39Å; L970-V973 PolarHBondContact O-N 3.04Å; L970-K974 HydrophobicContact CD1-CD 4.43Å; L970-K974 HydrophobicContact CG-CD 4.34Å; L970-K974 WeakPolarHBondContact O-CB 3.42Å; L970-K974 WeakPolarHBondContact O-CG 3.29Å; L970-K974 PolarHBondContact O-N 3.39Å; L970-D1130 HydrophobicContact CD1-CB 3.87Å; L970-D1130 HydrophobicContact CD2-CB 4.28Å; L970-I1132 HydrophobicContact CD1-CG2 3.61Å; L970-W1133 HydrophobicContact CB-CZ2 4.38Å; L970-W1133 HydrophobicContact CD1-CZ2 3.83Å
971	Q	94.4	Very high	93.9	Very high	133 Å²	133	45.7 Å²	45.7	62%	0.621	24%	0.243	S	C	*	.	H	α-helix	trans	-62.3	-49.8	176.9	-179.3	175.6	-21.3	0	0	110.8	G967 T968 I969 V973 K974 T975	G967-Q971 PolarHBondContact O-N 2.89Å; T968-Q971 PolarHBondContact O-N 2.87Å; I969-Q971 VanDerWaalsContact C-N 3.35Å; I969-Q971 PolarHBondContact O-N 2.81Å; Q971-V973 PolarHBondContact O-N 3.24Å; Q971-K974 PolarHBondContact O-N 2.97Å; Q971-T975 PolarHBondContact O-N 3.04Å; Q971-T975 PolarHBondContact O-OG1 3Å; Q971-T975 VanDerWaalsContact O-OG1 3.09Å
972	Y	94.2	Very high	93.6	Very high	30 Å²	30	53.7 Å²	53.7	12%	0.118	28%	0.278	C	S	.	.	H	α-helix	trans	-65.3	-37.6	177	-77.7	-62.7	0	0	0	113.1	T968 I969 T975 L976 Y1010 E1012 D1016 V1017	T968-Y972 VanDerWaalsContact O-CD2 3.23Å; T968-Y972 WeakPolarHBondContact O-CD2 3.32Å; T968-Y972 PolarHBondContact O-N 3.37Å; I969-Y972 PolarHBondContact O-N 2.86Å; Y972-T975 PolarHBondContact O-N 3.19Å; Y972-L976 VanDerWaalsContact O-CB 3.28Å; Y972-L976 WeakPolarHBondContact O-CB 3.39Å; Y972-L976 VanDerWaalsContact O-CG 3.23Å; Y972-L976 WeakPolarHBondContact O-CG 3.41Å; Y972-L976 PolarHBondContact O-N 3.04Å; Y972-Y1010 HydrophobicContact CD1-CE1 4.18Å; Y972-Y1010 HydrophobicContact CE1-CE1 4.26Å; Y972-E1012 HydrophobicContact CE1-CB 4.17Å; Y972-E1012 WeakPolarHBondContact CE1-OE2 3.24Å; Y972-D1016 HydrophobicContact CD2-CB 4.45Å; Y972-D1016 HydrophobicContact CE2-CB 3.56Å; Y972-D1016 PolarHBondContact OH-OD2 3.4Å; Y972-V1017 HydrophobicContact CD1-CG2 3.8Å; Y972-V1017 HydrophobicContact CD2-CG2 3.96Å; Y972-V1017 HydrophobicContact CE1-CG2 4.38Å; Y972-V1017 HydrophobicContact CG-CG2 3.58Å
973	V	93.6	Very high	93.3	Very high	1 Å²	1	54 Å²	54	1%	0.006	28%	0.283	C	S	.	.	H	α-helix	trans	-64.9	-40.6	176.2	165.6	0	0	0	0	111.5	I969 L970 Q971 I977 I1132 W1133 F1151 L1154	I969-V973 HydrophobicContact CG2-CG2 4.07Å; I969-V973 VanDerWaalsContact O-CB 3.27Å; I969-V973 WeakPolarHBondContact O-CB 3.38Å; I969-V973 WeakPolarHBondContact O-CG2 3.49Å; I969-V973 PolarHBondContact O-N 2.81Å; L970-V973 PolarHBondContact O-N 3.04Å; Q971-V973 PolarHBondContact O-N 3.24Å; V973-I977 HydrophobicContact CG1-CD1 3.66Å; V973-I977 WeakPolarHBondContact O-CB 3.31Å; V973-I977 WeakPolarHBondContact O-CG1 3.45Å; V973-I977 PolarHBondContact O-N 3.23Å; V973-I1132 HydrophobicContact CG1-CG2 4.35Å; V973-W1133 HydrophobicContact CB-CH2 4.33Å; V973-W1133 HydrophobicContact CB-CZ3 4.36Å; V973-W1133 HydrophobicContact CG1-CE3 4.28Å; V973-W1133 HydrophobicContact CG1-CH2 4.4Å; V973-W1133 HydrophobicContact CG1-CZ3 4.04Å; V973-W1133 HydrophobicContact CG2-CH2 3.94Å; V973-W1133 HydrophobicContact CG2-CZ3 3.88Å; V973-F1151 HydrophobicContact CG1-CD2 4.22Å; V973-F1151 HydrophobicContact CG2-CD2 4.11Å; V973-F1151 HydrophobicContact CG2-CE2 3.89Å; V973-L1154 HydrophobicContact CB-CD2 4.36Å; V973-L1154 HydrophobicContact CG1-CD2 4.24Å; V973-L1154 HydrophobicContact CG2-CD2 4.05Å
974	K	93.6	Very high	93.1	Very high	84 Å²	84	50 Å²	50	37%	0.365	26%	0.255	S	S	.	.	H	α-helix	trans	-61.8	-47.6	172.9	-76.1	174.5	178.9	176.9	0	111.7	L970 Q971 E978 D1130 I1132	L970-K974 HydrophobicContact CD1-CD 4.43Å; L970-K974 HydrophobicContact CG-CD 4.34Å; L970-K974 WeakPolarHBondContact O-CB 3.42Å; L970-K974 WeakPolarHBondContact O-CG 3.29Å; L970-K974 PolarHBondContact O-N 3.39Å; Q971-K974 PolarHBondContact O-N 2.97Å; K974-E978 PolarHBondContact O-N 2.86Å; K974-D1130 WeakPolarHBondContact CE-OD1 3.4Å; K974-D1130 VanDerWaalsContact CE-OD2 3.24Å; K974-D1130 WeakPolarHBondContact CE-OD2 3.38Å; K974-D1130 IonicContact NZ-OD1 3.28Å; K974-D1130 IonicContact NZ-OD2 3.93Å; K974-D1130 PolarHBondContact NZ-OD2 3.28Å; K974-I1132 HydrophobicContact CG-CB 4.19Å; K974-I1132 HydrophobicContact CG-CD1 4.46Å; K974-I1132 HydrophobicContact CG-CG1 3.9Å; K974-I1132 HydrophobicContact CG-CG2 4.02Å
975	T	94	Very high	92.9	Very high	60 Å²	60	56.6 Å²	56.6	37%	0.368	28%	0.278	S	S	.	.	H	α-helix	trans	-60.5	-49	176.9	-58.4	0	0	0	0	111.7	Q971 Y972 I977 E978 V979	Q971-T975 PolarHBondContact O-N 3.04Å; Q971-T975 PolarHBondContact O-OG1 3Å; Q971-T975 VanDerWaalsContact O-OG1 3.09Å; Y972-T975 PolarHBondContact O-N 3.19Å; T975-I977 PolarHBondContact O-N 3.26Å; T975-E978 PolarHBondContact O-N 2.98Å; T975-V979 WeakPolarHBondContact O-CG2 3.5Å; T975-V979 PolarHBondContact O-N 3.49Å
976	L	93.5	Very high	92.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-71.7	-28.1	-175.6	-69.5	171.6	0	0	0	113.4	Y972 E978 V979 M980 I1007 Y1010 L1013 V1017 L1154 M1158	Y972-L976 VanDerWaalsContact O-CB 3.28Å; Y972-L976 WeakPolarHBondContact O-CB 3.39Å; Y972-L976 VanDerWaalsContact O-CG 3.23Å; Y972-L976 WeakPolarHBondContact O-CG 3.41Å; Y972-L976 PolarHBondContact O-N 3.04Å; L976-E978 VanDerWaalsContact C-N 3.35Å; L976-V979 CarbonylContact O-C 3.59Å; L976-V979 PolarHBondContact O-N 3.47Å; L976-M980 VanDerWaalsContact O-CG 3.28Å; L976-M980 WeakPolarHBondContact O-CG 3.28Å; L976-M980 PolarHBondContact O-N 2.67Å; L976-I1007 HydrophobicContact CB-CD1 4.44Å; L976-I1007 HydrophobicContact CD2-CD1 3.91Å; L976-Y1010 HydrophobicContact CD2-CD1 3.77Å; L976-Y1010 HydrophobicContact CD2-CD2 3.98Å; L976-Y1010 HydrophobicContact CD2-CE1 4Å; L976-Y1010 HydrophobicContact CD2-CE2 4.19Å; L976-Y1010 HydrophobicContact CD2-CG 3.79Å; L976-L1013 HydrophobicContact CD1-CD1 4.11Å; L976-V1017 HydrophobicContact CD1-CG1 4.31Å; L976-V1017 HydrophobicContact CD1-CG2 4.29Å; L976-L1154 HydrophobicContact CB-CD1 3.67Å; L976-L1154 HydrophobicContact CB-CD2 3.93Å; L976-L1154 HydrophobicContact CB-CG 4.48Å; L976-L1154 HydrophobicContact CD1-CD1 4.35Å; L976-L1154 HydrophobicContact CD1-CD2 4.49Å; L976-M1158 HydrophobicContact CD1-CE 3.6Å
977	I	92	Very high	92.6	Very high	20 Å²	20	55.4 Å²	55.4	10%	0.103	28%	0.275	C	S	.	.	H	α-helix	trans	-69.7	-31.7	173.8	-76.5	167.4	0	0	0	111.9	V973 T975 V979 M980 I1132 L1154	V973-I977 HydrophobicContact CG1-CD1 3.66Å; V973-I977 WeakPolarHBondContact O-CB 3.31Å; V973-I977 WeakPolarHBondContact O-CG1 3.45Å; V973-I977 PolarHBondContact O-N 3.23Å; T975-I977 PolarHBondContact O-N 3.26Å; I977-V979 VanDerWaalsContact C-N 3.34Å; I977-M980 PolarHBondContact O-N 2.97Å; I977-I1132 HydrophobicContact CB-CD1 4.42Å; I977-I1132 HydrophobicContact CD1-CD1 4.24Å; I977-I1132 HydrophobicContact CD1-CG1 3.74Å; I977-I1132 HydrophobicContact CG2-CD1 4.04Å; I977-L1154 HydrophobicContact CG1-CB 4.37Å; I977-L1154 HydrophobicContact CG1-CD2 4.17Å
978	E	91.2	Very high	92.5	Very high	152 Å²	152	62 Å²	62	71%	0.71	29%	0.29	S	S	*	.	H	α-helix	trans	-72.2	-27.7	170.7	-67.9	-65.3	156.2	0	0	112.5	K974 T975 L976	K974-E978 PolarHBondContact O-N 2.86Å; T975-E978 PolarHBondContact O-N 2.98Å; L976-E978 VanDerWaalsContact C-N 3.35Å
979	V	91.6	Very high	92.4	Very high	49 Å²	49	62.6 Å²	62.6	30%	0.297	29%	0.288	S	S	.	.	H	α-helix	trans	-79.1	-23.6	173.9	177.1	0	0	0	0	112.3	T975 L976 I977 D1006 I1007	T975-V979 WeakPolarHBondContact O-CG2 3.5Å; T975-V979 PolarHBondContact O-N 3.49Å; L976-V979 CarbonylContact O-C 3.59Å; L976-V979 PolarHBondContact O-N 3.47Å; I977-V979 VanDerWaalsContact C-N 3.34Å; V979-D1006 HydrophobicContact CG1-CB 3.55Å; V979-I1007 HydrophobicContact CB-CD1 4.15Å; V979-I1007 HydrophobicContact CG1-CD1 3.78Å
980	M	91.6	Very high	92.1	Very high	6 Å²	6	69.5 Å²	69.5	3%	0.03	32%	0.321	C	S	.	.	S	Bend	trans	-64.1	144.2	178.7	-82	-74.4	-69.4	0	0	112.2	L976 I977 K982 L1004 I1007 C1148 R1153 L1154 A1157 F1203	L976-M980 VanDerWaalsContact O-CG 3.28Å; L976-M980 WeakPolarHBondContact O-CG 3.28Å; L976-M980 PolarHBondContact O-N 2.67Å; I977-M980 PolarHBondContact O-N 2.97Å; M980-K982 PolarHBondContact O-N 3.05Å; M980-K982 VanDerWaalsContact O-N 3.09Å; M980-L1004 HydrophobicContact CE-CD2 4.47Å; M980-L1004 HydrophobicContact SD-CD2 4.35Å; M980-I1007 HydrophobicContact CG-CD1 4.13Å; M980-I1007 HydrophobicContact SD-CD1 4.08Å; M980-I1007 HydrophobicContact SD-CG1 3.85Å; M980-C1148 HydrophobicContact CB-CB 4.24Å; M980-C1148 HydrophobicContact CE-CB 3.77Å; M980-R1153 HydrophobicContact CE-CB 4.41Å; M980-R1153 VanDerWaalsContact CE-O 3.28Å; M980-R1153 WeakPolarHBondContact CE-O 3.48Å; M980-L1154 HydrophobicContact CG-CD1 3.95Å; M980-L1154 HydrophobicContact SD-CD1 4.17Å; M980-A1157 HydrophobicContact CE-CB 3.97Å; M980-A1157 HydrophobicContact SD-CB 3.45Å; M980-A1157 WeakPolarHBondContact SD-CB 3.49Å; M980-F1203 HydrophobicContact CE-CE2 4.26Å; M980-F1203 HydrophobicContact CE-CZ 4.34Å
981	P	91.3	Very high	91.9	Very high	23 Å²	23	76.2 Å²	76.2	15%	0.149	35%	0.346	C	S	.	.			trans	-61.7	116.6	174	26.9	-36.1	0	0	0	109.8	I983 C984 Q1003 L1004 C1148	P981-I983 PolarHBondContact O-N 3.21Å; P981-C984 HydrophobicContact CB-CB 4.46Å; P981-C984 HydrophobicContact CG-CB 3.97Å; P981-Q1003 WeakPolarHBondContact CD-O 3.15Å; P981-Q1003 HydrophobicContact CG-CB 4.38Å; P981-Q1003 WeakPolarHBondContact CG-O 3.38Å; P981-L1004 HydrophobicContact CG-CD2 4.1Å; P981-C1148 WeakPolarHBondContact O-CB 3.31Å; P981-C1148 PolarHBondContact O-SG 2.99Å
982	K	90.2	Very high	91.7	Very high	171 Å²	171	70.1 Å²	70.1	74%	0.743	32%	0.319	S	S	*	.	S	Bend	trans	-46.5	-37	-173.7	-63.3	-168	176.2	-169.3	0	114	M980 C1148	M980-K982 PolarHBondContact O-N 3.05Å; M980-K982 VanDerWaalsContact O-N 3.09Å; K982-C1148 PolarHBondContact O-N 2.8Å; K982-C1148 VanDerWaalsContact O-N 3.15Å
983	I	89.9	Confident	91.7	Very high	99 Å²	99	68.7 Å²	68.7	51%	0.508	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-136.4	119.2	178.4	-58.6	-178.7	0	0	0	107.5	P981 D1146	P981-I983 PolarHBondContact O-N 3.21Å; I983-D1146 WeakPolarHBondContact CA-O 3.38Å; I983-D1146 HydrophobicContact CG2-CB 3.54Å
984	C	91.7	Very high	91.6	Very high	1 Å²	1	69 Å²	69	1%	0.007	32%	0.315	C	S	.	.			trans	-129.3	95.8	176.9	-173.3	0	0	0	0	110.5	P981 D1146 C1148 R1153 F1203	P981-C984 HydrophobicContact CB-CB 4.46Å; P981-C984 HydrophobicContact CG-CB 3.97Å; C984-D1146 PolarHBondContact N-O 3.07Å; C984-C1148 VanDerWaalsContact CB-SG 3.58Å; C984-R1153 PolarHBondContact O-NH2 3.5Å; C984-F1203 HydrophobicContact CB-CE1 3.94Å; C984-F1203 HydrophobicContact CB-CZ 4.16Å; C984-F1203 VanDerWaalsContact SG-CE1 3.51Å
985	R	90.6	Very high	91.5	Very high	161 Å²	161	66.4 Å²	66.4	61%	0.608	31%	0.312	S	S	*	.			trans	-68	148	179.6	-56.7	-156	158.1	137.3	2.6	111.3	P987 F999 D1146	R985-P987 VanDerWaalsContact O-CD 3.32Å; R985-P987 WeakPolarHBondContact O-CD 3.34Å; R985-F999 VanDerWaalsContact O-CE1 3.23Å; R985-F999 WeakPolarHBondContact O-CE1 3.38Å; R985-D1146 HydrophobicContact CG-CB 4.27Å; R985-D1146 WeakPolarHBondContact CG-OD2 3.32Å; R985-D1146 IonicContact CZ-OD2 2.79Å; R985-D1146 IonicContact NE-OD2 3.72Å; R985-D1146 PolarHBondContact NE-OD2 2.89Å; R985-D1146 IonicContact NH2-OD2 2.68Å
986	L	92.2	Very high	91.5	Very high	47 Å²	47	63.6 Å²	63.6	25%	0.246	29%	0.294	C	S	.	.			trans	-77.5	114.2	162.7	-61.3	-175	0	0	0	108.9	F1000 F1201 F1203 H1206	L986-F1000 HydrophobicContact CD2-CE1 4.31Å; L986-F1000 HydrophobicContact CD2-CZ 3.88Å; L986-F1201 HydrophobicContact CD1-CD1 4.35Å; L986-F1203 HydrophobicContact CD2-CD1 4.17Å; L986-H1206 HydrophobicContact CD1-CB 4.12Å; L986-H1206 HydrophobicContact CD2-CB 3.88Å; L986-H1206 HydrophobicContact CG-CB 4.5Å
987	P	92.3	Very high	91.5	Very high	13 Å²	13	63.6 Å²	63.6	8%	0.084	29%	0.294	C	S	.	.			trans	-67.4	148.2	-179.3	-13.2	27.7	0	0	0	110.3	R985 Y991 I996 F999 H1206	R985-P987 VanDerWaalsContact O-CD 3.32Å; R985-P987 WeakPolarHBondContact O-CD 3.34Å; P987-Y991 HydrophobicContact CB-CD2 3.92Å; P987-Y991 HydrophobicContact CB-CE2 4.36Å; P987-Y991 HydrophobicContact CB-CG 4.11Å; P987-I996 HydrophobicContact CB-CG1 4Å; P987-I996 HydrophobicContact CG-CG1 4.14Å; P987-F999 HydrophobicContact CG-CB 4.29Å; P987-F999 HydrophobicContact CG-CD1 3.42Å; P987-F999 VanDerWaalsContact CG-CD1 3.42Å; P987-F999 HydrophobicContact CG-CD2 4.43Å; P987-F999 HydrophobicContact CG-CE1 3.78Å; P987-F999 HydrophobicContact CG-CG 3.79Å; P987-F999 HydrophobicContact CG-CZ 4.41Å; P987-H1206 PolarHBondContact O-CE1 3.38Å; P987-H1206 PolarHBondContact O-NE2 3.07Å
988	R	91.8	Very high	91.6	Very high	172 Å²	172	67.3 Å²	67.3	65%	0.649	31%	0.312	S	S	*	.			trans	-68.2	165.6	-177	-51.5	-175.5	172	-174.1	-0.8	112.1	E990 Y991	R988-E990 WeakPolarHBondContact CB-OE2 3.34Å; R988-E990 PolarHBondContact O-N 3.18Å; R988-Y991 HydrophobicContact CB-CD2 4.34Å; R988-Y991 HydrophobicContact CB-CE2 4.49Å; R988-Y991 WeakPolarHBondContact O-CD2 3.22Å; R988-Y991 PolarHBondContact O-N 3.43Å
989	H	90.7	Very high	91.7	Very high	70 Å²	70	63 Å²	63	32%	0.324	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-63.8	-25.9	-174.9	-64.2	72.7	0	0	0	112.3	Y991 G992 V1210 Q1213	H989-Y991 PolarHBondContact O-N 3.49Å; H989-G992 PolarHBondContact O-N 3.01Å; H989-V1210 HydrophobicContact CB-CG1 4.42Å; H989-Q1213 PolarHBondContact CD2-OE1 3.39Å
990	E	88.3	Confident	91.9	Very high	147 Å²	147	60.7 Å²	60.7	69%	0.687	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-62.9	-21.1	178.3	-57.6	93.1	132.5	0	0	113.7	R988 G992	R988-E990 WeakPolarHBondContact CB-OE2 3.34Å; R988-E990 PolarHBondContact O-N 3.18Å; E990-G992 PolarHBondContact O-N 2.75Å
991	Y	90.3	Very high	91.9	Very high	162 Å²	162	62.1 Å²	62.1	64%	0.635	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-72.1	-19.3	174.1	-72.8	-95.3	0	0	0	112.8	P987 R988 H989	P987-Y991 HydrophobicContact CB-CD2 3.92Å; P987-Y991 HydrophobicContact CB-CE2 4.36Å; P987-Y991 HydrophobicContact CB-CG 4.11Å; R988-Y991 HydrophobicContact CB-CD2 4.34Å; R988-Y991 HydrophobicContact CB-CE2 4.49Å; R988-Y991 WeakPolarHBondContact O-CD2 3.22Å; R988-Y991 PolarHBondContact O-N 3.43Å; H989-Y991 PolarHBondContact O-N 3.49Å
992	G	91.5	Very high	92	Very high	5 Å²	5	67.6 Å²	67.6	5%	0.052	31%	0.306	C	S	.	.	H	α-helix	trans	71.8	154.9	-173.3	0	0	0	0	0	113.6	H989 E990 P994 G995 I996 D1214	H989-G992 PolarHBondContact O-N 3.01Å; E990-G992 PolarHBondContact O-N 2.75Å; G992-P994 VanDerWaalsContact C-CD 3.45Å; G992-G995 PolarHBondContact O-N 3.47Å; G992-I996 WeakPolarHBondContact O-CG1 3.37Å; G992-I996 PolarHBondContact O-N 2.78Å; G992-D1214 VanDerWaalsContact CA-OD2 3.32Å; G992-D1214 WeakPolarHBondContact CA-OD2 3.35Å
993	S	93.2	Very high	92.1	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.4	-32.2	-177.8	57.3	0	0	0	0	115.3	I996 L997 L1207 D1214 L1225	S993-I996 PolarHBondContact O-N 2.72Å; S993-L997 WeakPolarHBondContact O-CB 3.42Å; S993-L997 PolarHBondContact O-N 3.22Å; S993-L1207 VanDerWaalsContact O-CD1 3.25Å; S993-L1207 WeakPolarHBondContact O-CD1 3.25Å; S993-D1214 PolarHBondContact N-OD2 2.99Å; S993-D1214 VanDerWaalsContact OG-CG 3.26Å; S993-D1214 PolarHBondContact OG-OD1 3.47Å; S993-D1214 PolarHBondContact OG-OD2 3.23Å; S993-D1214 VanDerWaalsContact OG-OD2 3.07Å; S993-L1225 WeakPolarHBondContact OG-CD2 3.27Å
994	P	92.5	Very high	92.3	Very high	8 Å²	8	57.6 Å²	57.6	5%	0.052	26%	0.26	C	S	.	.	H	α-helix	trans	-65.8	-43.7	172.4	-18	30.2	0	0	0	112.7	G992 I996 L997 E998 K1216 E1218 I1220 L1225	G992-P994 VanDerWaalsContact C-CD 3.45Å; P994-I996 VanDerWaalsContact C-N 3.33Å; P994-I996 PolarHBondContact O-N 3.21Å; P994-L997 PolarHBondContact O-N 3.43Å; P994-E998 PolarHBondContact O-N 3.46Å; P994-K1216 HydrophobicContact CG-CB 4.01Å; P994-K1216 HydrophobicContact CG-CD 3.67Å; P994-E1218 HydrophobicContact CB-CB 4.24Å; P994-E1218 HydrophobicContact CB-CG 4.48Å; P994-E1218 WeakPolarHBondContact CB-OE2 3.45Å; P994-E1218 HydrophobicContact CG-CB 4.21Å; P994-E1218 VanDerWaalsContact CG-CD 3.4Å; P994-E1218 HydrophobicContact CG-CG 4.07Å; P994-E1218 WeakPolarHBondContact CG-OE1 3.28Å; P994-I1220 HydrophobicContact CB-CD1 3.94Å; P994-I1220 HydrophobicContact CB-CG1 3.97Å; P994-L1225 HydrophobicContact CB-CD2 4.33Å; P994-L1225 HydrophobicContact CG-CD2 3.82Å
995	G	92.1	Very high	92.4	Very high	29 Å²	29	61.4 Å²	61.4	30%	0.299	28%	0.277	S	S	.	.	H	α-helix	trans	-67.4	-33.2	177.8	0	0	0	0	0	112.8	G992 F999	G992-G995 PolarHBondContact O-N 3.47Å; G995-F999 VanDerWaalsContact O-CB 3.3Å; G995-F999 WeakPolarHBondContact O-CB 3.36Å; G995-F999 PolarHBondContact O-N 3.03Å
996	I	94.1	Very high	92.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-68.9	-40.9	172.5	-67.7	171.3	0	0	0	111.3	P987 G992 S993 P994 F999 F1000 L1207 V1210	P987-I996 HydrophobicContact CB-CG1 4Å; P987-I996 HydrophobicContact CG-CG1 4.14Å; G992-I996 WeakPolarHBondContact O-CG1 3.37Å; G992-I996 PolarHBondContact O-N 2.78Å; S993-I996 PolarHBondContact O-N 2.72Å; P994-I996 VanDerWaalsContact C-N 3.33Å; P994-I996 PolarHBondContact O-N 3.21Å; I996-F999 PolarHBondContact O-N 3.48Å; I996-F1000 HydrophobicContact CG2-CD2 3.69Å; I996-F1000 HydrophobicContact CG2-CE2 3.26Å; I996-F1000 HydrophobicContact CG2-CZ 3.98Å; I996-F1000 WeakPolarHBondContact O-CD2 3.25Å; I996-F1000 PolarHBondContact O-N 3.11Å; I996-L1207 HydrophobicContact CB-CD1 4.17Å; I996-L1207 HydrophobicContact CG2-CB 4.35Å; I996-L1207 HydrophobicContact CG2-CD1 3.93Å; I996-V1210 HydrophobicContact CD1-CB 3.81Å; I996-V1210 HydrophobicContact CD1-CG1 3.81Å; I996-V1210 HydrophobicContact CD1-CG2 3.47Å; I996-V1210 VanDerWaalsContact CD1-CG2 3.47Å
997	L	93.3	Very high	92.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-43.9	174.5	175.3	56.9	0	0	0	111.2	S993 P994 F1000 H1001 F1160 L1207 I1220 V1223 L1225 M1228	S993-L997 WeakPolarHBondContact O-CB 3.42Å; S993-L997 PolarHBondContact O-N 3.22Å; P994-L997 PolarHBondContact O-N 3.43Å; L997-F1000 PolarHBondContact O-N 2.78Å; L997-H1001 VanDerWaalsContact O-CB 3.32Å; L997-H1001 WeakPolarHBondContact O-CB 3.37Å; L997-H1001 PolarHBondContact O-N 2.83Å; L997-F1160 HydrophobicContact CD1-CE2 3.95Å; L997-F1160 HydrophobicContact CD1-CZ 3.77Å; L997-L1207 HydrophobicContact CB-CD1 4.02Å; L997-L1207 HydrophobicContact CB-CD2 4.14Å; L997-L1207 HydrophobicContact CD1-CD2 3.88Å; L997-L1207 HydrophobicContact CG-CD2 4.49Å; L997-I1220 HydrophobicContact CD2-CB 3.82Å; L997-I1220 HydrophobicContact CD2-CG1 4.2Å; L997-I1220 HydrophobicContact CD2-CG2 4.48Å; L997-I1220 HydrophobicContact CG-CB 4.07Å; L997-I1220 HydrophobicContact CG-CG2 4.17Å; L997-V1223 HydrophobicContact CD1-CG1 4.25Å; L997-V1223 HydrophobicContact CD2-CB 4.22Å; L997-V1223 HydrophobicContact CD2-CG1 3.94Å; L997-L1225 HydrophobicContact CB-CD1 4.27Å; L997-L1225 HydrophobicContact CD2-CB 4.09Å; L997-L1225 HydrophobicContact CD2-CD1 3.76Å; L997-L1225 HydrophobicContact CD2-CG 4.48Å; L997-M1228 HydrophobicContact CD1-CG 4.45Å
998	E	93.7	Very high	92.5	Very high	99 Å²	99	57.5 Å²	57.5	46%	0.463	27%	0.267	S	S	.	.	H	α-helix	trans	-62.7	-43.5	175	-173.3	164.3	-143.8	0	0	112	P994 H1001 H1002 I1220	P994-E998 PolarHBondContact O-N 3.46Å; E998-H1001 PolarHBondContact O-N 3.26Å; E998-H1002 PolarHBondContact O-N 3.32Å; E998-I1220 HydrophobicContact CB-CG2 3.74Å; E998-I1220 HydrophobicContact CG-CG2 4.39Å
999	F	94	Very high	92.6	Very high	62 Å²	62	55.1 Å²	55.1	27%	0.272	26%	0.263	S	S	.	.	H	α-helix	trans	-58.1	-50.5	176.4	174.6	-94.5	0	0	0	112.1	R985 P987 G995 I996 H1002 Q1003	R985-F999 VanDerWaalsContact O-CE1 3.23Å; R985-F999 WeakPolarHBondContact O-CE1 3.38Å; P987-F999 HydrophobicContact CG-CB 4.29Å; P987-F999 HydrophobicContact CG-CD1 3.42Å; P987-F999 VanDerWaalsContact CG-CD1 3.42Å; P987-F999 HydrophobicContact CG-CD2 4.43Å; P987-F999 HydrophobicContact CG-CE1 3.78Å; P987-F999 HydrophobicContact CG-CG 3.79Å; P987-F999 HydrophobicContact CG-CZ 4.41Å; G995-F999 VanDerWaalsContact O-CB 3.3Å; G995-F999 WeakPolarHBondContact O-CB 3.36Å; G995-F999 PolarHBondContact O-N 3.03Å; I996-F999 PolarHBondContact O-N 3.48Å; F999-H1002 PolarHBondContact O-N 3.33Å; F999-Q1003 HydrophobicContact CD1-CG 4.18Å; F999-Q1003 HydrophobicContact CD2-CG 4.25Å; F999-Q1003 HydrophobicContact CE1-CG 3.77Å; F999-Q1003 HydrophobicContact CE2-CG 3.84Å; F999-Q1003 HydrophobicContact CG-CG 4.41Å; F999-Q1003 HydrophobicContact CZ-CG 3.59Å; F999-Q1003 WeakPolarHBondContact O-CG 3.43Å; F999-Q1003 PolarHBondContact O-N 2.72Å
1000	F	94.6	Very high	92.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.5	-37.6	178.3	-67.3	-40.7	0	0	0	112.3	L986 I996 L997 H1002 Q1003 L1004 F1160 F1203 L1207	L986-F1000 HydrophobicContact CD2-CE1 4.31Å; L986-F1000 HydrophobicContact CD2-CZ 3.88Å; I996-F1000 HydrophobicContact CG2-CD2 3.69Å; I996-F1000 HydrophobicContact CG2-CE2 3.26Å; I996-F1000 HydrophobicContact CG2-CZ 3.98Å; I996-F1000 WeakPolarHBondContact O-CD2 3.25Å; I996-F1000 PolarHBondContact O-N 3.11Å; L997-F1000 PolarHBondContact O-N 2.78Å; F1000-H1002 PolarHBondContact O-N 2.89Å; F1000-Q1003 PolarHBondContact O-N 2.78Å; F1000-L1004 HydrophobicContact CB-CD1 4.37Å; F1000-L1004 VanDerWaalsContact O-CB 3.28Å; F1000-L1004 WeakPolarHBondContact O-CB 3.3Å; F1000-L1004 WeakPolarHBondContact O-CG 3.35Å; F1000-L1004 PolarHBondContact O-N 3.3Å; F1000-F1160 HydrophobicContact CB-CD2 4.1Å; F1000-F1160 HydrophobicContact CB-CE2 3.54Å; F1000-F1160 HydrophobicContact CB-CZ 3.85Å; F1000-F1160 HydrophobicContact CD2-CE2 4.39Å; F1000-F1160 HydrophobicContact CG-CE2 4.41Å; F1000-F1203 HydrophobicContact CD1-CB 4.07Å; F1000-F1203 AromaticContact CD1-CD1 3.94Å; F1000-F1203 HydrophobicContact CD1-CD1 3.94Å; F1000-F1203 HydrophobicContact CD1-CG 4.18Å; F1000-F1203 HydrophobicContact CD2-CB 4.08Å; F1000-F1203 HydrophobicContact CE1-CB 3.98Å; F1000-F1203 AromaticContact CE1-CD1 3.5Å; F1000-F1203 HydrophobicContact CE1-CD1 3.5Å; F1000-F1203 VanDerWaalsContact CE1-CD1 3.5Å; F1000-F1203 HydrophobicContact CE1-CE1 4.35Å; F1000-F1203 HydrophobicContact CE1-CG 4.07Å; F1000-F1203 HydrophobicContact CE2-CB 3.95Å; F1000-F1203 WeakPolarHBondContact CE2-O 3.4Å; F1000-F1203 HydrophobicContact CG-CB 4.15Å; F1000-F1203 HydrophobicContact CZ-CB 3.91Å; F1000-F1203 HydrophobicContact CZ-CD1 4.02Å; F1000-F1203 HydrophobicContact CZ-CG 4.43Å; F1000-L1207 HydrophobicContact CE2-CB 4.32Å
1001	H	92.5	Very high	92.8	Very high	35 Å²	35	51.5 Å²	51.5	16%	0.162	26%	0.26	C	S	.	.	H	α-helix	trans	-64.2	-29.6	175.8	-161	-37.4	0	0	0	112.4	L997 E998 F1160 K1221	L997-H1001 VanDerWaalsContact O-CB 3.32Å; L997-H1001 WeakPolarHBondContact O-CB 3.37Å; L997-H1001 PolarHBondContact O-N 2.83Å; E998-H1001 PolarHBondContact O-N 3.26Å; H1001-F1160 HydrophobicContact CB-CE1 4.4Å; H1001-F1160 HydrophobicContact CB-CZ 4.25Å; H1001-K1221 WeakPolarHBondContact CD2-CB 3.48Å
1002	H	92.8	Very high	92.9	Very high	139 Å²	139	47.8 Å²	47.8	64%	0.644	25%	0.248	S	C	*	.	H	α-helix	trans	-76.8	-49.6	172.4	-175.6	65.9	0	0	0	112.3	E998 F999 F1000 L1004 K1005	E998-H1002 PolarHBondContact O-N 3.32Å; F999-H1002 PolarHBondContact O-N 3.33Å; F1000-H1002 PolarHBondContact O-N 2.89Å; H1002-L1004 VanDerWaalsContact C-N 3.29Å; H1002-L1004 PolarHBondContact O-N 2.77Å; H1002-K1005 WeakPolarHBondContact O-CB 3.38Å; H1002-K1005 PolarHBondContact O-N 2.68Å
1003	Q	93	Very high	92.9	Very high	60 Å²	60	47.8 Å²	47.8	28%	0.28	25%	0.247	S	C	.	.	H	α-helix	trans	-64.9	-29.4	-177.7	-69.4	-64.2	-31	0	0	113.7	P981 F999 F1000	P981-Q1003 WeakPolarHBondContact CD-O 3.15Å; P981-Q1003 HydrophobicContact CG-CB 4.38Å; P981-Q1003 WeakPolarHBondContact CG-O 3.38Å; F999-Q1003 HydrophobicContact CD1-CG 4.18Å; F999-Q1003 HydrophobicContact CD2-CG 4.25Å; F999-Q1003 HydrophobicContact CE1-CG 3.77Å; F999-Q1003 HydrophobicContact CE2-CG 3.84Å; F999-Q1003 HydrophobicContact CG-CG 4.41Å; F999-Q1003 HydrophobicContact CZ-CG 3.59Å; F999-Q1003 WeakPolarHBondContact O-CG 3.43Å; F999-Q1003 PolarHBondContact O-N 2.72Å; F1000-Q1003 PolarHBondContact O-N 2.78Å
1004	L	93.9	Very high	92.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	10.7	-175.9	-54.4	176.7	0	0	0	113	M980 P981 F1000 H1002 D1006 I1007 I1008 A1157 F1160 F1203	M980-L1004 HydrophobicContact CE-CD2 4.47Å; M980-L1004 HydrophobicContact SD-CD2 4.35Å; P981-L1004 HydrophobicContact CG-CD2 4.1Å; F1000-L1004 HydrophobicContact CB-CD1 4.37Å; F1000-L1004 VanDerWaalsContact O-CB 3.28Å; F1000-L1004 WeakPolarHBondContact O-CB 3.3Å; F1000-L1004 WeakPolarHBondContact O-CG 3.35Å; F1000-L1004 PolarHBondContact O-N 3.3Å; H1002-L1004 VanDerWaalsContact C-N 3.29Å; H1002-L1004 PolarHBondContact O-N 2.77Å; L1004-D1006 VanDerWaalsContact C-N 3.29Å; L1004-D1006 PolarHBondContact O-N 3.25Å; L1004-I1007 PolarHBondContact O-N 2.76Å; L1004-I1008 HydrophobicContact CB-CD1 4.23Å; L1004-I1008 WeakPolarHBondContact O-CG1 3.48Å; L1004-I1008 PolarHBondContact O-N 2.84Å; L1004-A1157 HydrophobicContact CD1-CB 4.29Å; L1004-A1157 HydrophobicContact CD2-CB 3.83Å; L1004-F1160 HydrophobicContact CD1-CB 3.75Å; L1004-F1160 HydrophobicContact CD1-CD1 3.96Å; L1004-F1160 HydrophobicContact CD1-CD2 4.29Å; L1004-F1160 HydrophobicContact CD1-CG 3.74Å; L1004-F1203 HydrophobicContact CD1-CD2 3.71Å; L1004-F1203 HydrophobicContact CD1-CE2 4.1Å; L1004-F1203 HydrophobicContact CD1-CG 4.31Å; L1004-F1203 HydrophobicContact CD2-CD2 4.37Å; L1004-F1203 HydrophobicContact CD2-CE2 3.89Å; L1004-F1203 HydrophobicContact CD2-CZ 4.33Å
1005	K	92.8	Very high	92.7	Very high	81 Å²	81	55 Å²	55	35%	0.352	28%	0.283	S	S	.	.	H	α-helix	trans	-50.4	-47.6	-174.4	-173.4	-175	176.2	-76.5	0	112.7	H1002 I1007 I1008 E1009	H1002-K1005 WeakPolarHBondContact O-CB 3.38Å; H1002-K1005 PolarHBondContact O-N 2.68Å; K1005-I1007 PolarHBondContact O-N 2.87Å; K1005-I1008 WeakPolarHBondContact O-CB 3.36Å; K1005-I1008 PolarHBondContact O-N 2.92Å; K1005-I1008 VanDerWaalsContact O-N 3.1Å; K1005-E1009 WeakPolarHBondContact CE-OE1 3.42Å; K1005-E1009 WeakPolarHBondContact CG-OE1 3.5Å; K1005-E1009 IonicContact NZ-OE1 3.18Å; K1005-E1009 PolarHBondContact NZ-OE1 2.87Å; K1005-E1009 IonicContact NZ-OE2 3.34Å; K1005-E1009 PolarHBondContact NZ-OE2 3.33Å; K1005-E1009 PolarHBondContact O-N 2.91Å
1006	D	93.1	Very high	92.6	Very high	97 Å²	97	56.4 Å²	56.4	52%	0.519	28%	0.283	S	S	.	.	H	α-helix	trans	-72.5	-19.9	-174.3	-54.3	-31.3	0	0	0	112.6	V979 L1004 Y1010	V979-D1006 HydrophobicContact CG1-CB 3.55Å; L1004-D1006 VanDerWaalsContact C-N 3.29Å; L1004-D1006 PolarHBondContact O-N 3.25Å; D1006-Y1010 PolarHBondContact O-N 2.92Å
1007	I	93.5	Very high	92.6	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-81.4	-38.8	169.2	-54.4	-65	0	0	0	110.7	L976 V979 M980 L1004 K1005 E1009 Y1010 L1013 L1154 A1157 V1161	L976-I1007 HydrophobicContact CB-CD1 4.44Å; L976-I1007 HydrophobicContact CD2-CD1 3.91Å; V979-I1007 HydrophobicContact CB-CD1 4.15Å; V979-I1007 HydrophobicContact CG1-CD1 3.78Å; M980-I1007 HydrophobicContact CG-CD1 4.13Å; M980-I1007 HydrophobicContact SD-CD1 4.08Å; M980-I1007 HydrophobicContact SD-CG1 3.85Å; L1004-I1007 PolarHBondContact O-N 2.76Å; K1005-I1007 PolarHBondContact O-N 2.87Å; I1007-E1009 VanDerWaalsContact C-N 3.32Å; I1007-E1009 PolarHBondContact O-N 3.44Å; I1007-Y1010 PolarHBondContact O-N 3.09Å; I1007-L1013 HydrophobicContact CG2-CD2 4.4Å; I1007-L1154 HydrophobicContact CD1-CD1 4.37Å; I1007-A1157 HydrophobicContact CG1-CB 4.38Å; I1007-A1157 HydrophobicContact CG2-CB 4.1Å; I1007-V1161 HydrophobicContact CG2-CG2 4.18Å
1008	I	91.7	Very high	92.7	Very high	41 Å²	41	56.5 Å²	56.5	21%	0.21	28%	0.284	C	S	.	.	H	α-helix	trans	-64.3	-37.8	177.2	-63.2	159.7	0	0	0	111.2	L1004 K1005 F1160 V1161 I1164	L1004-I1008 HydrophobicContact CB-CD1 4.23Å; L1004-I1008 WeakPolarHBondContact O-CG1 3.48Å; L1004-I1008 PolarHBondContact O-N 2.84Å; K1005-I1008 WeakPolarHBondContact O-CB 3.36Å; K1005-I1008 PolarHBondContact O-N 2.92Å; K1005-I1008 VanDerWaalsContact O-N 3.1Å; I1008-F1160 HydrophobicContact CD1-CD1 3.96Å; I1008-F1160 HydrophobicContact CD1-CE1 3.71Å; I1008-F1160 HydrophobicContact CG1-CD1 4.28Å; I1008-F1160 HydrophobicContact CG1-CE1 4.48Å; I1008-V1161 HydrophobicContact CB-CG2 4.41Å; I1008-V1161 HydrophobicContact CG1-CG2 3.91Å; I1008-I1164 HydrophobicContact CG1-CD1 4.44Å; I1008-I1164 HydrophobicContact CG2-CD1 4.29Å
1009	E	92.3	Very high	92.7	Very high	122 Å²	122	52.1 Å²	52.1	57%	0.57	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	1.8	-178.9	-66.7	177	-168.3	0	0	113.6	K1005 I1007 A1011	K1005-E1009 WeakPolarHBondContact CE-OE1 3.42Å; K1005-E1009 WeakPolarHBondContact CG-OE1 3.5Å; K1005-E1009 IonicContact NZ-OE1 3.18Å; K1005-E1009 PolarHBondContact NZ-OE1 2.87Å; K1005-E1009 IonicContact NZ-OE2 3.34Å; K1005-E1009 PolarHBondContact NZ-OE2 3.33Å; K1005-E1009 PolarHBondContact O-N 2.91Å; I1007-E1009 VanDerWaalsContact C-N 3.32Å; I1007-E1009 PolarHBondContact O-N 3.44Å; E1009-A1011 PolarHBondContact O-N 3.42Å; E1009-A1011 VanDerWaalsContact O-N 3.13Å
1010	Y	93.3	Very high	92.7	Very high	51 Å²	51	49.8 Å²	49.8	20%	0.2	25%	0.254	C	S	.	.			trans	-70.9	107.1	-179.3	-165.7	-102.1	0	0	0	111.7	Y972 L976 D1006 I1007 E1012 L1013	Y972-Y1010 HydrophobicContact CD1-CE1 4.18Å; Y972-Y1010 HydrophobicContact CE1-CE1 4.26Å; L976-Y1010 HydrophobicContact CD2-CD1 3.77Å; L976-Y1010 HydrophobicContact CD2-CD2 3.98Å; L976-Y1010 HydrophobicContact CD2-CE1 4Å; L976-Y1010 HydrophobicContact CD2-CE2 4.19Å; L976-Y1010 HydrophobicContact CD2-CG 3.79Å; D1006-Y1010 PolarHBondContact O-N 2.92Å; I1007-Y1010 PolarHBondContact O-N 3.09Å; Y1010-E1012 HydrophobicContact CD1-CB 4.35Å; Y1010-E1012 HydrophobicContact CE1-CB 3.78Å; Y1010-E1012 PolarHBondContact O-N 3.5Å; Y1010-E1012 PolarHBondContact OH-OE2 3.46Å; Y1010-E1012 VanDerWaalsContact OH-OE2 3.05Å; Y1010-L1013 HydrophobicContact CD1-CB 4.01Å; Y1010-L1013 WeakPolarHBondContact O-CB 3.3Å; Y1010-L1013 PolarHBondContact O-N 3.28Å; Y1010-L1013 VanDerWaalsContact O-N 3.14Å
1011	A	90.4	Very high	92.8	Very high	90 Å²	90	49.8 Å²	49.8	74%	0.744	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-44.3	-169.9	0	0	0	0	0	114.1	E1009 L1013	E1009-A1011 PolarHBondContact O-N 3.42Å; E1009-A1011 VanDerWaalsContact O-N 3.13Å; A1011-L1013 PolarHBondContact O-N 3.08Å
1012	E	92.4	Very high	92.9	Very high	84 Å²	84	48.1 Å²	48.1	39%	0.393	25%	0.247	S	C	.	.	H	α-helix	trans	-79.4	-2.3	-175.7	-67.6	158.3	174.3	0	0	113.1	Y972 Y1010 K1014 T1015 D1016 V1017	Y972-E1012 HydrophobicContact CE1-CB 4.17Å; Y972-E1012 WeakPolarHBondContact CE1-OE2 3.24Å; Y1010-E1012 HydrophobicContact CD1-CB 4.35Å; Y1010-E1012 HydrophobicContact CE1-CB 3.78Å; Y1010-E1012 PolarHBondContact O-N 3.5Å; Y1010-E1012 PolarHBondContact OH-OE2 3.46Å; Y1010-E1012 VanDerWaalsContact OH-OE2 3.05Å; E1012-K1014 VanDerWaalsContact C-N 3.26Å; E1012-K1014 PolarHBondContact O-N 2.86Å; E1012-T1015 WeakPolarHBondContact CA-OG1 3.43Å; E1012-T1015 PolarHBondContact O-N 3.1Å; E1012-D1016 HydrophobicContact CB-CB 4.32Å; E1012-D1016 WeakPolarHBondContact O-CB 3.06Å; E1012-D1016 PolarHBondContact O-N 2.87Å; E1012-V1017 PolarHBondContact O-N 3.44Å
1013	L	92	Very high	93.1	Very high	4 Å²	4	43 Å²	43	2%	0.021	22%	0.223	C	C	.	.	I	π-helix	trans	-59	-39	-176.3	-172.4	67.3	0	0	0	112	L976 I1007 Y1010 A1011 V1017 F1018 M1158 V1161	L976-L1013 HydrophobicContact CD1-CD1 4.11Å; I1007-L1013 HydrophobicContact CG2-CD2 4.4Å; Y1010-L1013 HydrophobicContact CD1-CB 4.01Å; Y1010-L1013 WeakPolarHBondContact O-CB 3.3Å; Y1010-L1013 PolarHBondContact O-N 3.28Å; Y1010-L1013 VanDerWaalsContact O-N 3.14Å; A1011-L1013 PolarHBondContact O-N 3.08Å; L1013-V1017 HydrophobicContact CD1-CB 4.21Å; L1013-V1017 HydrophobicContact CD1-CG1 4.37Å; L1013-V1017 HydrophobicContact CD1-CG2 4.47Å; L1013-V1017 WeakPolarHBondContact O-CB 3.35Å; L1013-F1018 HydrophobicContact CD1-CD1 4.38Å; L1013-F1018 HydrophobicContact CD1-CE1 3.87Å; L1013-F1018 HydrophobicContact CD1-CZ 4.4Å; L1013-F1018 HydrophobicContact CD2-CE1 4.18Å; L1013-F1018 HydrophobicContact CD2-CZ 3.86Å; L1013-F1018 HydrophobicContact CG-CD1 4.26Å; L1013-F1018 HydrophobicContact CG-CE1 3.74Å; L1013-F1018 HydrophobicContact CG-CE2 4.42Å; L1013-F1018 HydrophobicContact CG-CZ 3.83Å; L1013-F1018 WeakPolarHBondContact O-CB 3.34Å; L1013-F1018 WeakPolarHBondContact O-CD1 3.5Å; L1013-F1018 WeakPolarHBondContact O-CG 3.49Å; L1013-F1018 PolarHBondContact O-N 2.98Å; L1013-M1158 HydrophobicContact CD1-CE 4.01Å; L1013-M1158 HydrophobicContact CD1-CG 4.27Å; L1013-V1161 HydrophobicContact CD2-CB 4.11Å; L1013-V1161 HydrophobicContact CD2-CG1 3.94Å; L1013-V1161 HydrophobicContact CD2-CG2 3.91Å
1014	K	89.5	Confident	93.3	Very high	103 Å²	103	40.3 Å²	40.3	45%	0.448	21%	0.211	S	C	.	.	I	π-helix	trans	-85.6	-47.9	179.1	-67	-179.5	-177.3	175.7	0	112	E1012 D1016 F1018 F1177	E1012-K1014 VanDerWaalsContact C-N 3.26Å; E1012-K1014 PolarHBondContact O-N 2.86Å; K1014-D1016 PolarHBondContact O-N 3.14Å; K1014-F1018 HydrophobicContact CG-CD2 4.05Å; K1014-F1018 HydrophobicContact CG-CE2 4.28Å; K1014-F1177 HydrophobicContact CB-CZ 4.27Å; K1014-F1177 WeakPolarHBondContact O-CE1 3.38Å; K1014-F1177 WeakPolarHBondContact O-CZ 3.5Å
1015	T	90.9	Very high	93.4	Very high	58 Å²	58	40.3 Å²	40.3	36%	0.356	21%	0.211	S	C	.	.	I	π-helix	trans	-69.4	-33.5	-171.7	54.8	0	0	0	0	113.2	F895 E1012 Q1019	F895-T1015 HydrophobicContact CD1-CG2 3.93Å; F895-T1015 HydrophobicContact CE1-CG2 4.01Å; E1012-T1015 WeakPolarHBondContact CA-OG1 3.43Å; E1012-T1015 PolarHBondContact O-N 3.1Å; T1015-Q1019 WeakPolarHBondContact O-CB 3.35Å
1016	D	91.4	Very high	93.6	Very high	58 Å²	58	36.4 Å²	36.4	31%	0.31	19%	0.194	S	C	.	.	I	π-helix	trans	-119.6	-50.1	-169.6	-68.2	47	0	0	0	111.3	Y972 E1012 K1014 S1020	Y972-D1016 HydrophobicContact CD2-CB 4.45Å; Y972-D1016 HydrophobicContact CE2-CB 3.56Å; Y972-D1016 PolarHBondContact OH-OD2 3.4Å; E1012-D1016 HydrophobicContact CB-CB 4.32Å; E1012-D1016 WeakPolarHBondContact O-CB 3.06Å; E1012-D1016 PolarHBondContact O-N 2.87Å; K1014-D1016 PolarHBondContact O-N 3.14Å; D1016-S1020 VanDerWaalsContact O-CB 3.23Å; D1016-S1020 WeakPolarHBondContact O-CB 3.43Å; D1016-S1020 PolarHBondContact O-N 3.36Å; D1016-S1020 PolarHBondContact O-OG 3.25Å
1017	V	93.6	Very high	93.8	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	17%	0.169	C	C	.	.	I	π-helix	trans	-75.2	-53.7	-172.8	-169.8	0	0	0	0	111	Y972 L976 E1012 L1013 Q1019 S1020 L1021 M1158	Y972-V1017 HydrophobicContact CD1-CG2 3.8Å; Y972-V1017 HydrophobicContact CD2-CG2 3.96Å; Y972-V1017 HydrophobicContact CE1-CG2 4.38Å; Y972-V1017 HydrophobicContact CG-CG2 3.58Å; L976-V1017 HydrophobicContact CD1-CG1 4.31Å; L976-V1017 HydrophobicContact CD1-CG2 4.29Å; E1012-V1017 PolarHBondContact O-N 3.44Å; L1013-V1017 HydrophobicContact CD1-CB 4.21Å; L1013-V1017 HydrophobicContact CD1-CG1 4.37Å; L1013-V1017 HydrophobicContact CD1-CG2 4.47Å; L1013-V1017 WeakPolarHBondContact O-CB 3.35Å; V1017-Q1019 VanDerWaalsContact C-N 3.27Å; V1017-Q1019 PolarHBondContact O-N 2.95Å; V1017-S1020 PolarHBondContact O-N 3.49Å; V1017-L1021 HydrophobicContact CG1-CD1 4.12Å; V1017-L1021 WeakPolarHBondContact O-CB 3.31Å; V1017-L1021 WeakPolarHBondContact O-CD1 3.4Å; V1017-L1021 VanDerWaalsContact O-CG 3.28Å; V1017-L1021 WeakPolarHBondContact O-CG 3.3Å; V1017-L1021 PolarHBondContact O-N 3.31Å; V1017-M1158 HydrophobicContact CG1-CE 3.62Å
1018	F	95	Very high	93.9	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	17%	0.17	C	C	.	.	I	π-helix	trans	-66.3	-31.2	175.3	-68.8	-2	0	0	0	111.8	L1013 K1014 R1022 M1158 Y1162 F1177 L1181	L1013-F1018 HydrophobicContact CD1-CD1 4.38Å; L1013-F1018 HydrophobicContact CD1-CE1 3.87Å; L1013-F1018 HydrophobicContact CD1-CZ 4.4Å; L1013-F1018 HydrophobicContact CD2-CE1 4.18Å; L1013-F1018 HydrophobicContact CD2-CZ 3.86Å; L1013-F1018 HydrophobicContact CG-CD1 4.26Å; L1013-F1018 HydrophobicContact CG-CE1 3.74Å; L1013-F1018 HydrophobicContact CG-CE2 4.42Å; L1013-F1018 HydrophobicContact CG-CZ 3.83Å; L1013-F1018 WeakPolarHBondContact O-CB 3.34Å; L1013-F1018 WeakPolarHBondContact O-CD1 3.5Å; L1013-F1018 WeakPolarHBondContact O-CG 3.49Å; L1013-F1018 PolarHBondContact O-N 2.98Å; K1014-F1018 HydrophobicContact CG-CD2 4.05Å; K1014-F1018 HydrophobicContact CG-CE2 4.28Å; F1018-R1022 VanDerWaalsContact O-CB 3.23Å; F1018-R1022 WeakPolarHBondContact O-CB 3.26Å; F1018-R1022 PolarHBondContact O-N 3.29Å; F1018-M1158 HydrophobicContact CE1-CB 3.97Å; F1018-M1158 HydrophobicContact CE1-CG 4.04Å; F1018-M1158 HydrophobicContact CE1-SD 4.22Å; F1018-M1158 HydrophobicContact CZ-CB 4.33Å; F1018-Y1162 HydrophobicContact CZ-CD1 4.24Å; F1018-F1177 HydrophobicContact CB-CD1 3.99Å; F1018-F1177 HydrophobicContact CB-CD2 4.27Å; F1018-F1177 HydrophobicContact CB-CE1 3.69Å; F1018-F1177 HydrophobicContact CB-CE2 3.99Å; F1018-F1177 HydrophobicContact CB-CG 4.3Å; F1018-F1177 HydrophobicContact CB-CZ 3.7Å; F1018-F1177 HydrophobicContact CD2-CD2 4.34Å; F1018-F1177 AromaticContact CD2-CE2 3.97Å; F1018-F1177 HydrophobicContact CD2-CE2 3.97Å; F1018-F1177 HydrophobicContact CD2-CZ 4.39Å; F1018-L1181 HydrophobicContact CB-CD1 3.97Å; F1018-L1181 HydrophobicContact CB-CD2 4.13Å; F1018-L1181 HydrophobicContact CD1-CD1 3.94Å; F1018-L1181 HydrophobicContact CD1-CD2 4.33Å; F1018-L1181 HydrophobicContact CD2-CD2 3.95Å; F1018-L1181 HydrophobicContact CE2-CD2 4.43Å; F1018-L1181 HydrophobicContact CG-CD1 4.03Å; F1018-L1181 HydrophobicContact CG-CD2 3.89Å
1019	Q	94.1	Very high	94.2	Very high	7 Å²	7	30 Å²	30	3%	0.033	16%	0.16	C	C	.	.	H	α-helix	trans	-65.2	-53.4	174.5	-178.1	56.4	33.4	0	0	112	P877 F895 T1015 V1017 L1021 R1022 E1023 F1177	P877-Q1019 VanDerWaalsContact CA-NE2 3.3Å; P877-Q1019 PolarHBondContact O-NE2 2.76Å; F895-Q1019 HydrophobicContact CB-CG 4.32Å; T1015-Q1019 WeakPolarHBondContact O-CB 3.35Å; V1017-Q1019 VanDerWaalsContact C-N 3.27Å; V1017-Q1019 PolarHBondContact O-N 2.95Å; Q1019-L1021 VanDerWaalsContact C-N 3.29Å; Q1019-L1021 PolarHBondContact O-N 3.13Å; Q1019-R1022 WeakPolarHBondContact O-CB 3.28Å; Q1019-R1022 PolarHBondContact O-N 3.05Å; Q1019-R1022 VanDerWaalsContact O-N 3.11Å; Q1019-R1022 VanDerWaalsContact OE1-CZ 3.25Å; Q1019-E1023 PolarHBondContact NE2-OE1 2.78Å; Q1019-E1023 PolarHBondContact O-N 3.5Å; Q1019-F1177 HydrophobicContact CB-CE1 4.37Å
1020	S	94.7	Very high	94.4	Very high	12 Å²	12	24.3 Å²	24.3	8%	0.084	13%	0.133	C	C	.	.	H	α-helix	trans	-60.4	-38.9	177.2	-58.7	0	0	0	0	111.9	T968 D1016 V1017 E1023 V1024	T968-S1020 PolarHBondContact OG1-OG 3.06Å; D1016-S1020 VanDerWaalsContact O-CB 3.23Å; D1016-S1020 WeakPolarHBondContact O-CB 3.43Å; D1016-S1020 PolarHBondContact O-N 3.36Å; D1016-S1020 PolarHBondContact O-OG 3.25Å; V1017-S1020 PolarHBondContact O-N 3.49Å; S1020-E1023 PolarHBondContact O-N 2.93Å; S1020-V1024 PolarHBondContact O-N 3.46Å; S1020-V1024 VanDerWaalsContact O-N 3.1Å
1021	L	96.3	Very high	94.5	Very high	1 Å²	1	22 Å²	22	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-67.4	-40.9	174.8	-73.3	167.5	0	0	0	111.8	I969 V1017 Q1019 E1023 V1024 G1025 W1155 M1158 L1181 A1184 I1188	I969-L1021 HydrophobicContact CD1-CD2 4.17Å; I969-L1021 HydrophobicContact CD1-CG 4.5Å; I969-L1021 HydrophobicContact CG2-CD2 4.13Å; V1017-L1021 HydrophobicContact CG1-CD1 4.12Å; V1017-L1021 WeakPolarHBondContact O-CB 3.31Å; V1017-L1021 WeakPolarHBondContact O-CD1 3.4Å; V1017-L1021 VanDerWaalsContact O-CG 3.28Å; V1017-L1021 WeakPolarHBondContact O-CG 3.3Å; V1017-L1021 PolarHBondContact O-N 3.31Å; Q1019-L1021 VanDerWaalsContact C-N 3.29Å; Q1019-L1021 PolarHBondContact O-N 3.13Å; L1021-E1023 VanDerWaalsContact C-N 3.32Å; L1021-E1023 PolarHBondContact O-N 3.11Å; L1021-V1024 PolarHBondContact O-N 2.91Å; L1021-G1025 PolarHBondContact O-N 3.34Å; L1021-W1155 HydrophobicContact CD1-CZ3 4.04Å; L1021-M1158 HydrophobicContact CD1-SD 4.29Å; L1021-L1181 HydrophobicContact CB-CD1 3.72Å; L1021-L1181 HydrophobicContact CD1-CD1 4.14Å; L1021-A1184 HydrophobicContact CB-CB 4.16Å; L1021-A1184 HydrophobicContact CD2-CB 4.05Å; L1021-A1184 WeakPolarHBondContact O-CB 3.31Å; L1021-I1188 HydrophobicContact CD2-CD1 3.89Å
1022	R	95.4	Very high	94.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.9	-41.7	173.8	169.6	-107	-72	-73.7	-7.8	111.6	L876 P877 Y879 C880 F1018 Q1019 G1025 N1026 C1176 F1177	L876-R1022 WeakPolarHBondContact O-CD 3.28Å; P877-R1022 WeakPolarHBondContact O-CD 3.24Å; P877-R1022 VanDerWaalsContact O-CZ 3.29Å; P877-R1022 PolarHBondContact O-NE 2.87Å; Y879-R1022 PolarHBondContact O-NH1 3.09Å; Y879-R1022 VanDerWaalsContact O-NH1 3.1Å; C880-R1022 PolarHBondContact SG-NH1 3.25Å; F1018-R1022 VanDerWaalsContact O-CB 3.23Å; F1018-R1022 WeakPolarHBondContact O-CB 3.26Å; F1018-R1022 PolarHBondContact O-N 3.29Å; Q1019-R1022 WeakPolarHBondContact O-CB 3.28Å; Q1019-R1022 PolarHBondContact O-N 3.05Å; Q1019-R1022 VanDerWaalsContact O-N 3.11Å; Q1019-R1022 VanDerWaalsContact OE1-CZ 3.25Å; R1022-G1025 PolarHBondContact O-N 3.39Å; R1022-N1026 WeakPolarHBondContact O-CB 3.16Å; R1022-N1026 VanDerWaalsContact O-CG 3.25Å; R1022-N1026 PolarHBondContact O-N 3.1Å; R1022-C1176 PolarHBondContact NH1-O 3.46Å; R1022-C1176 PolarHBondContact NH2-O 3.32Å; R1022-F1177 HydrophobicContact CB-CB 4.29Å; R1022-F1177 HydrophobicContact CB-CD1 4Å; R1022-F1177 HydrophobicContact CG-CB 4.37Å; R1022-F1177 HydrophobicContact CG-CD1 4.44Å; R1022-F1177 VanDerWaalsContact NH2-CD1 3.28Å
1023	E	96.2	Very high	94.8	Very high	32 Å²	32	14.5 Å²	14.5	15%	0.15	8%	0.075	C	C	.	.	H	α-helix	trans	-61.1	-47.1	175	-75	168.7	-145	0	0	112.2	L876 P877 L964 Q1019 S1020 L1021 G1025 N1026 A1027	L876-E1023 HydrophobicContact CB-CB 4.36Å; L876-E1023 HydrophobicContact CB-CG 4.16Å; L876-E1023 WeakPolarHBondContact O-CG 3.34Å; P877-E1023 HydrophobicContact CB-CG 4.25Å; L964-E1023 HydrophobicContact CD1-CB 3.81Å; Q1019-E1023 PolarHBondContact NE2-OE1 2.78Å; Q1019-E1023 PolarHBondContact O-N 3.5Å; S1020-E1023 PolarHBondContact O-N 2.93Å; L1021-E1023 VanDerWaalsContact C-N 3.32Å; L1021-E1023 PolarHBondContact O-N 3.11Å; E1023-G1025 VanDerWaalsContact C-N 3.3Å; E1023-G1025 PolarHBondContact O-N 3.43Å; E1023-N1026 PolarHBondContact O-N 2.91Å; E1023-A1027 WeakPolarHBondContact O-CB 3.49Å; E1023-A1027 PolarHBondContact O-N 3.35Å
1024	V	96.9	Very high	95	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.012	7%	0.074	C	C	.	.	H	α-helix	trans	-58.7	-42.3	173.6	169.4	0	0	0	0	111.6	V961 L964 L965 I969 S1020 L1021 A1027 I1028 A1184	V961-V1024 HydrophobicContact CG1-CG1 4.11Å; V961-V1024 HydrophobicContact CG2-CG1 4.46Å; L964-V1024 HydrophobicContact CB-CG2 3.83Å; L964-V1024 HydrophobicContact CD1-CG2 3.8Å; L964-V1024 HydrophobicContact CG-CG2 4.48Å; L965-V1024 HydrophobicContact CD2-CG2 4.46Å; L965-V1024 HydrophobicContact CG-CG2 4.34Å; I969-V1024 HydrophobicContact CD1-CG2 3.62Å; S1020-V1024 PolarHBondContact O-N 3.46Å; S1020-V1024 VanDerWaalsContact O-N 3.1Å; L1021-V1024 PolarHBondContact O-N 2.91Å; V1024-A1027 PolarHBondContact O-N 3.35Å; V1024-I1028 HydrophobicContact CG1-CD1 3.91Å; V1024-I1028 VanDerWaalsContact O-CG1 3.31Å; V1024-I1028 WeakPolarHBondContact O-CG1 3.27Å; V1024-I1028 PolarHBondContact O-N 2.88Å; V1024-A1184 HydrophobicContact CB-CB 4.09Å; V1024-A1184 HydrophobicContact CG1-CB 3.96Å
1025	G	96.6	Very high	95.2	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-68.6	-42.3	-179.8	0	0	0	0	0	113.1	L1021 R1022 E1023 A1027 I1028 L1029 G1180	L1021-G1025 PolarHBondContact O-N 3.34Å; R1022-G1025 PolarHBondContact O-N 3.39Å; E1023-G1025 VanDerWaalsContact C-N 3.3Å; E1023-G1025 PolarHBondContact O-N 3.43Å; G1025-A1027 VanDerWaalsContact C-N 3.29Å; G1025-A1027 PolarHBondContact O-N 2.86Å; G1025-I1028 PolarHBondContact O-N 2.84Å; G1025-L1029 WeakPolarHBondContact O-CB 3.12Å; G1025-L1029 WeakPolarHBondContact O-CD1 3.48Å; G1025-L1029 VanDerWaalsContact O-CG 3.28Å; G1025-L1029 WeakPolarHBondContact O-CG 3.45Å; G1025-L1029 PolarHBondContact O-N 2.9Å; G1025-G1180 WeakPolarHBondContact CA-O 3.27Å
1026	N	97.2	Very high	95.3	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.8	-35.4	174.4	-74.5	-12.2	0	0	0	111.3	F875 L876 Y879 F888 R1022 E1023 F1030	F875-N1026 HydrophobicContact CE1-CB 4.48Å; L876-N1026 HydrophobicContact CD2-CB 3.81Å; L876-N1026 PolarHBondContact O-ND2 3.12Å; Y879-N1026 PolarHBondContact O-ND2 3.31Å; F888-N1026 HydrophobicContact CE1-CB 4.45Å; R1022-N1026 WeakPolarHBondContact O-CB 3.16Å; R1022-N1026 VanDerWaalsContact O-CG 3.25Å; R1022-N1026 PolarHBondContact O-N 3.1Å; E1023-N1026 PolarHBondContact O-N 2.91Å; N1026-F1030 WeakPolarHBondContact O-CB 3.48Å; N1026-F1030 PolarHBondContact O-N 2.81Å
1027	A	96.9	Very high	95.5	Very high	1 Å²	1	8 Å²	8	1%	0.008	4%	0.041	C	C	.	.	H	α-helix	trans	-68.1	-45.1	174.6	0	0	0	0	0	112.2	L876 L957 V961 E1023 V1024 G1025 L1029 F1030 C1031	L876-A1027 HydrophobicContact CD1-CB 4.43Å; L876-A1027 HydrophobicContact CD2-CB 3.73Å; L876-A1027 VanDerWaalsContact CD2-N 3.28Å; L957-A1027 HydrophobicContact CD2-CB 4.22Å; V961-A1027 HydrophobicContact CG2-CB 3.59Å; E1023-A1027 WeakPolarHBondContact O-CB 3.49Å; E1023-A1027 PolarHBondContact O-N 3.35Å; V1024-A1027 PolarHBondContact O-N 3.35Å; G1025-A1027 VanDerWaalsContact C-N 3.29Å; G1025-A1027 PolarHBondContact O-N 2.86Å; A1027-L1029 VanDerWaalsContact C-N 3.35Å; A1027-L1029 PolarHBondContact O-N 3.47Å; A1027-F1030 PolarHBondContact O-N 3.37Å; A1027-C1031 PolarHBondContact O-N 3.47Å; A1027-C1031 VanDerWaalsContact O-N 3.08Å; A1027-C1031 PolarHBondContact O-SG 3.25Å
1028	I	95.9	Very high	95.5	Very high	2 Å²	2	8.3 Å²	8.3	1%	0.01	4%	0.042	C	C	.	.	H	α-helix	trans	-60.2	-45.9	174.8	-68.7	168.6	0	0	0	110.4	V1024 G1025 C1031 L1032 F1117 I1124 W1183	V1024-I1028 HydrophobicContact CG1-CD1 3.91Å; V1024-I1028 VanDerWaalsContact O-CG1 3.31Å; V1024-I1028 WeakPolarHBondContact O-CG1 3.27Å; V1024-I1028 PolarHBondContact O-N 2.88Å; G1025-I1028 PolarHBondContact O-N 2.84Å; I1028-C1031 PolarHBondContact O-N 3.33Å; I1028-L1032 PolarHBondContact O-N 2.95Å; I1028-L1032 VanDerWaalsContact O-N 3.08Å; I1028-F1117 HydrophobicContact CG2-CE2 3.68Å; I1028-F1117 HydrophobicContact CG2-CZ 3.76Å; I1028-F1117 WeakPolarHBondContact O-CE2 3.43Å; I1028-I1124 HydrophobicContact CD1-CD1 4.07Å; I1028-I1124 HydrophobicContact CG1-CD1 3.76Å; I1028-W1183 HydrophobicContact CG2-CE3 4.29Å
1029	L	96.3	Very high	95.5	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-63.5	-39.5	176.4	-76.7	164.7	0	0	0	112.6	Y881 F888 G1025 A1027 L1032 L1033 W1183	Y881-L1029 HydrophobicContact CD1-CD1 3.48Å; Y881-L1029 VanDerWaalsContact CD1-CD1 3.48Å; Y881-L1029 HydrophobicContact CD1-CD2 3.67Å; Y881-L1029 HydrophobicContact CD1-CG 4.21Å; Y881-L1029 HydrophobicContact CE1-CD1 4.28Å; Y881-L1029 HydrophobicContact CE1-CD2 3.58Å; Y881-L1029 HydrophobicContact CG-CD1 3.66Å; Y881-L1029 HydrophobicContact CG-CD2 4.37Å; F888-L1029 HydrophobicContact CE1-CB 4.49Å; F888-L1029 HydrophobicContact CE1-CD1 4.37Å; F888-L1029 HydrophobicContact CZ-CB 3.88Å; F888-L1029 HydrophobicContact CZ-CD1 4.36Å; G1025-L1029 WeakPolarHBondContact O-CB 3.12Å; G1025-L1029 WeakPolarHBondContact O-CD1 3.48Å; G1025-L1029 VanDerWaalsContact O-CG 3.28Å; G1025-L1029 WeakPolarHBondContact O-CG 3.45Å; G1025-L1029 PolarHBondContact O-N 2.9Å; A1027-L1029 VanDerWaalsContact C-N 3.35Å; A1027-L1029 PolarHBondContact O-N 3.47Å; L1029-L1032 PolarHBondContact O-N 2.85Å; L1029-L1033 WeakPolarHBondContact O-CB 3.44Å; L1029-L1033 VanDerWaalsContact O-CG 3.24Å; L1029-L1033 WeakPolarHBondContact O-CG 3.44Å; L1029-L1033 PolarHBondContact O-N 3.06Å; L1029-W1183 HydrophobicContact CD1-CB 4.26Å; L1029-W1183 HydrophobicContact CD1-CG 3.98Å; L1029-W1183 HydrophobicContact CD2-CD2 3.66Å; L1029-W1183 HydrophobicContact CD2-CE3 4.21Å; L1029-W1183 HydrophobicContact CD2-CG 3.93Å; L1029-W1183 HydrophobicContact CD2-CZ2 4.02Å; L1029-W1183 HydrophobicContact CG-CB 4.32Å; L1029-W1183 HydrophobicContact CG-CD2 4.04Å; L1029-W1183 HydrophobicContact CG-CG 3.92Å
1030	F	96.6	Very high	95.4	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.009	7%	0.074	C	C	.	.	H	α-helix	trans	-59.6	-48.4	175.3	-174.7	-84.9	0	0	0	110.9	L871 F875 F938 I941 V953 L957 N1026 A1027 L1032 L1033 I1034	L871-F1030 HydrophobicContact CD1-CD1 4.49Å; L871-F1030 HydrophobicContact CD1-CD2 4.4Å; L871-F1030 HydrophobicContact CD1-CE1 3.97Å; L871-F1030 HydrophobicContact CD1-CE2 3.89Å; L871-F1030 HydrophobicContact CD1-CZ 3.64Å; L871-F1030 HydrophobicContact CD2-CD2 3.51Å; L871-F1030 HydrophobicContact CD2-CE2 3.44Å; L871-F1030 VanDerWaalsContact CD2-CE2 3.44Å; L871-F1030 HydrophobicContact CD2-CG 4.25Å; L871-F1030 HydrophobicContact CD2-CZ 4.1Å; L871-F1030 HydrophobicContact CG-CE2 4.28Å; F875-F1030 HydrophobicContact CD1-CD2 4.42Å; F875-F1030 HydrophobicContact CE1-CB 4.15Å; F875-F1030 AromaticContact CE1-CD2 3.91Å; F875-F1030 HydrophobicContact CE1-CD2 3.91Å; F875-F1030 HydrophobicContact CE1-CG 4.48Å; F875-F1030 HydrophobicContact CZ-CD2 4.29Å; F938-F1030 HydrophobicContact CD1-CD2 4.45Å; F938-F1030 HydrophobicContact CD1-CE2 4.16Å; F938-F1030 AromaticContact CE1-CD2 3.46Å; F938-F1030 HydrophobicContact CE1-CD2 3.46Å; F938-F1030 VanDerWaalsContact CE1-CD2 3.46Å; F938-F1030 AromaticContact CE1-CE2 3.56Å; F938-F1030 HydrophobicContact CE1-CE2 3.56Å; F938-F1030 HydrophobicContact CE1-CG 4.15Å; F938-F1030 HydrophobicContact CE1-CZ 4.35Å; F938-F1030 HydrophobicContact CZ-CD2 4.06Å; F938-F1030 HydrophobicContact CZ-CE2 4.41Å; I941-F1030 HydrophobicContact CD1-CE2 4.32Å; I941-F1030 HydrophobicContact CG2-CZ 4.42Å; V953-F1030 HydrophobicContact CG1-CD1 4.42Å; V953-F1030 HydrophobicContact CG1-CE1 3.72Å; V953-F1030 HydrophobicContact CG1-CZ 4.36Å; L957-F1030 HydrophobicContact CD1-CB 4.26Å; L957-F1030 HydrophobicContact CD1-CD1 3.42Å; L957-F1030 VanDerWaalsContact CD1-CD1 3.42Å; L957-F1030 HydrophobicContact CD1-CE1 4.1Å; L957-F1030 HydrophobicContact CD1-CG 4.07Å; N1026-F1030 WeakPolarHBondContact O-CB 3.48Å; N1026-F1030 PolarHBondContact O-N 2.81Å; A1027-F1030 PolarHBondContact O-N 3.37Å; F1030-L1032 VanDerWaalsContact C-N 3.33Å; F1030-L1032 PolarHBondContact O-N 3.08Å; F1030-L1033 PolarHBondContact O-N 3.36Å; F1030-I1034 HydrophobicContact CD1-CB 4.42Å; F1030-I1034 HydrophobicContact CD1-CG2 4.24Å; F1030-I1034 HydrophobicContact CE1-CB 4.02Å; F1030-I1034 HydrophobicContact CE1-CG1 4.24Å; F1030-I1034 HydrophobicContact CE1-CG2 4.04Å; F1030-I1034 HydrophobicContact CZ-CB 4.36Å; F1030-I1034 HydrophobicContact CZ-CD1 4.18Å; F1030-I1034 HydrophobicContact CZ-CG1 4.35Å; F1030-I1034 WeakPolarHBondContact O-CB 3.5Å; F1030-I1034 VanDerWaalsContact O-CG2 3.3Å; F1030-I1034 WeakPolarHBondContact O-CG2 3.2Å; F1030-I1034 PolarHBondContact O-N 2.83Å
1031	C	95.5	Very high	95.3	Very high	3 Å²	3	15.9 Å²	15.9	2%	0.02	8%	0.081	C	C	.	.	H	α-helix	trans	-59.1	-42.3	177.4	-68	0	0	0	0	112.4	M954 A1027 I1028 E1035 I1120	M954-C1031 HydrophobicContact CE-CB 4.39Å; A1027-C1031 PolarHBondContact O-N 3.47Å; A1027-C1031 VanDerWaalsContact O-N 3.08Å; A1027-C1031 PolarHBondContact O-SG 3.25Å; I1028-C1031 PolarHBondContact O-N 3.33Å; C1031-E1035 WeakPolarHBondContact O-CB 3.23Å; C1031-E1035 PolarHBondContact O-N 3.28Å; C1031-I1120 HydrophobicContact CB-CG1 4.37Å; C1031-I1120 HydrophobicContact CB-CG2 4.34Å
1032	L	94.7	Very high	95.2	Very high	8 Å²	8	15.8 Å²	15.8	4%	0.042	8%	0.08	C	C	.	.	H	α-helix	trans	-63.7	-45	176	179.6	60	0	0	0	112.5	I1028 L1029 F1030 Q1036 F1117 W1183 Y1249	I1028-L1032 PolarHBondContact O-N 2.95Å; I1028-L1032 VanDerWaalsContact O-N 3.08Å; L1029-L1032 PolarHBondContact O-N 2.85Å; F1030-L1032 VanDerWaalsContact C-N 3.33Å; F1030-L1032 PolarHBondContact O-N 3.08Å; L1032-Q1036 VanDerWaalsContact O-CG 3.31Å; L1032-Q1036 WeakPolarHBondContact O-CG 3.41Å; L1032-Q1036 PolarHBondContact O-N 3.02Å; L1032-Q1036 VanDerWaalsContact O-N 3.1Å; L1032-F1117 HydrophobicContact CB-CD2 3.86Å; L1032-F1117 HydrophobicContact CB-CE2 3.69Å; L1032-F1117 HydrophobicContact CB-CG 4.49Å; L1032-F1117 HydrophobicContact CB-CZ 4.18Å; L1032-F1117 HydrophobicContact CD1-CD1 3.99Å; L1032-F1117 HydrophobicContact CD1-CD2 4.23Å; L1032-F1117 HydrophobicContact CD1-CE1 4.19Å; L1032-F1117 HydrophobicContact CD1-CE2 4.45Å; L1032-F1117 HydrophobicContact CD1-CG 4Å; L1032-F1117 HydrophobicContact CD1-CZ 4.43Å; L1032-F1117 HydrophobicContact CD2-CZ 4.34Å; L1032-F1117 HydrophobicContact CG-CE2 4.48Å; L1032-W1183 HydrophobicContact CD2-CH2 3.73Å; L1032-W1183 HydrophobicContact CD2-CZ3 4.09Å; L1032-Y1249 HydrophobicContact CD1-CE2 4.03Å
1033	L	95.5	Very high	95.1	Very high	8 Å²	8	19.1 Å²	19.1	4%	0.042	10%	0.1	C	C	.	.	H	α-helix	trans	-79.1	-32.8	-173.1	-68.4	169.4	0	0	0	112.9	Y881 N886 F888 F938 L1029 F1030 Q1036 A1037	Y881-L1033 HydrophobicContact CE2-CD1 3.89Å; N886-L1033 WeakPolarHBondContact OD1-CD2 3.42Å; F888-L1033 HydrophobicContact CE2-CD1 3.54Å; F888-L1033 HydrophobicContact CZ-CD1 4.02Å; F938-L1033 HydrophobicContact CD1-CB 4.08Å; F938-L1033 HydrophobicContact CD2-CB 4.26Å; F938-L1033 HydrophobicContact CE1-CB 3.77Å; F938-L1033 HydrophobicContact CE2-CB 4Å; F938-L1033 HydrophobicContact CE2-CD1 3.94Å; F938-L1033 HydrophobicContact CG-CB 4.33Å; F938-L1033 HydrophobicContact CZ-CB 3.75Å; F938-L1033 HydrophobicContact CZ-CD1 3.9Å; F938-L1033 HydrophobicContact CZ-CG 4.5Å; L1029-L1033 WeakPolarHBondContact O-CB 3.44Å; L1029-L1033 VanDerWaalsContact O-CG 3.24Å; L1029-L1033 WeakPolarHBondContact O-CG 3.44Å; L1029-L1033 PolarHBondContact O-N 3.06Å; F1030-L1033 PolarHBondContact O-N 3.36Å; L1033-Q1036 PolarHBondContact O-N 2.78Å; L1033-A1037 WeakPolarHBondContact O-CB 3.3Å; L1033-A1037 PolarHBondContact O-N 2.94Å
1034	I	95.4	Very high	94.9	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-70.7	-35	173.3	-158.8	72.4	0	0	0	111.2	F938 I941 C942 I950 M954 F1030 A1037 L1038	F938-I1034 HydrophobicContact CB-CD1 4.49Å; F938-I1034 HydrophobicContact CD1-CB 4.21Å; F938-I1034 HydrophobicContact CD1-CD1 3.9Å; I941-I1034 HydrophobicContact CB-CD1 3.93Å; I941-I1034 HydrophobicContact CG2-CD1 3.63Å; C942-I1034 WeakPolarHBondContact SG-CD1 3.33Å; C942-I1034 PolarHBondContact SG-O 3.32Å; I950-I1034 HydrophobicContact CD1-CG1 4.46Å; I950-I1034 HydrophobicContact CG1-CG1 4.25Å; I950-I1034 HydrophobicContact CG2-CG1 4.39Å; I950-I1034 HydrophobicContact CG2-CG2 4.3Å; M954-I1034 HydrophobicContact CE-CG2 3.46Å; M954-I1034 VanDerWaalsContact CE-CG2 3.46Å; F1030-I1034 HydrophobicContact CD1-CB 4.42Å; F1030-I1034 HydrophobicContact CD1-CG2 4.24Å; F1030-I1034 HydrophobicContact CE1-CB 4.02Å; F1030-I1034 HydrophobicContact CE1-CG1 4.24Å; F1030-I1034 HydrophobicContact CE1-CG2 4.04Å; F1030-I1034 HydrophobicContact CZ-CB 4.36Å; F1030-I1034 HydrophobicContact CZ-CD1 4.18Å; F1030-I1034 HydrophobicContact CZ-CG1 4.35Å; F1030-I1034 WeakPolarHBondContact O-CB 3.5Å; F1030-I1034 VanDerWaalsContact O-CG2 3.3Å; F1030-I1034 WeakPolarHBondContact O-CG2 3.2Å; F1030-I1034 PolarHBondContact O-N 2.83Å; I1034-A1037 PolarHBondContact O-N 3.49Å; I1034-L1038 WeakPolarHBondContact O-CB 3.41Å; I1034-L1038 PolarHBondContact O-N 3.33Å
1035	E	94.2	Very high	94.7	Very high	13 Å²	13	23.5 Å²	23.5	6%	0.061	13%	0.129	C	C	.	.	H	α-helix	trans	-63.8	-46.3	170.8	-179.8	175.4	175.1	0	0	111.4	C1031 A1037 L1038 S1039 S1115 M1116 F1117	C1031-E1035 WeakPolarHBondContact O-CB 3.23Å; C1031-E1035 PolarHBondContact O-N 3.28Å; E1035-A1037 VanDerWaalsContact C-N 3.29Å; E1035-A1037 PolarHBondContact O-N 2.84Å; E1035-L1038 PolarHBondContact O-N 2.95Å; E1035-S1039 PolarHBondContact O-N 3.48Å; E1035-S1039 PolarHBondContact O-OG 3.25Å; E1035-S1039 VanDerWaalsContact O-OG 3.06Å; E1035-S1115 VanDerWaalsContact OE1-CA 3.24Å; E1035-S1115 WeakPolarHBondContact OE1-CA 3.36Å; E1035-S1115 WeakPolarHBondContact OE1-CB 3.34Å; E1035-M1116 HydrophobicContact CB-CE 3.9Å; E1035-M1116 VanDerWaalsContact CD-N 3.31Å; E1035-M1116 HydrophobicContact CG-CE 3.82Å; E1035-M1116 PolarHBondContact OE1-N 3.05Å; E1035-M1116 WeakPolarHBondContact OE2-CB 2.98Å; E1035-M1116 PolarHBondContact OE2-N 2.73Å; E1035-F1117 VanDerWaalsContact OE2-CB 3.27Å; E1035-F1117 WeakPolarHBondContact OE2-CB 3.44Å; E1035-F1117 PolarHBondContact OE2-N 3.36Å
1036	Q	93.6	Very high	94.6	Very high	69 Å²	69	25.1 Å²	25.1	32%	0.322	14%	0.138	S	C	.	.	H	α-helix	trans	-61	-36.7	175.7	-73.2	175.5	21.3	0	0	112.9	L1032 L1033 Q1040	L1032-Q1036 VanDerWaalsContact O-CG 3.31Å; L1032-Q1036 WeakPolarHBondContact O-CG 3.41Å; L1032-Q1036 PolarHBondContact O-N 3.02Å; L1032-Q1036 VanDerWaalsContact O-N 3.1Å; L1033-Q1036 PolarHBondContact O-N 2.78Å; Q1036-Q1040 VanDerWaalsContact O-CG 3.31Å; Q1036-Q1040 WeakPolarHBondContact O-CG 3.22Å; Q1036-Q1040 PolarHBondContact O-N 2.85Å
1037	A	94.8	Very high	94.4	Very high	5 Å²	5	30.9 Å²	30.9	4%	0.041	17%	0.168	C	C	.	.	H	α-helix	trans	-69.7	-42.3	175.6	0	0	0	0	0	111.7	F938 K939 C942 L1033 I1034 E1035 Q1040 E1041	F938-A1037 HydrophobicContact CB-CB 3.8Å; K939-A1037 HydrophobicContact CG-CB 4.3Å; C942-A1037 VanDerWaalsContact SG-CB 3.52Å; L1033-A1037 WeakPolarHBondContact O-CB 3.3Å; L1033-A1037 PolarHBondContact O-N 2.94Å; I1034-A1037 PolarHBondContact O-N 3.49Å; E1035-A1037 VanDerWaalsContact C-N 3.29Å; E1035-A1037 PolarHBondContact O-N 2.84Å; A1037-Q1040 WeakPolarHBondContact O-CB 3.36Å; A1037-Q1040 PolarHBondContact O-N 2.99Å; A1037-E1041 PolarHBondContact O-N 3.12Å
1038	L	94.3	Very high	94.3	Very high	7 Å²	7	37.6 Å²	37.6	4%	0.037	20%	0.199	C	C	.	.	H	α-helix	trans	-61.8	-46.3	174.8	-177.9	61	0	0	0	111.4	C942 Y947 I950 I1034 E1035 Q1040 E1041 E1042 L1110 M1116	C942-L1038 PolarHBondContact SG-N 3.11Å; Y947-L1038 HydrophobicContact CD1-CD2 4.16Å; Y947-L1038 HydrophobicContact CE1-CD1 3.98Å; Y947-L1038 HydrophobicContact CE1-CD2 3.93Å; Y947-L1038 HydrophobicContact CE1-CG 4.33Å; I950-L1038 HydrophobicContact CD1-CB 4.43Å; I950-L1038 HydrophobicContact CD1-CD1 4.03Å; I950-L1038 HydrophobicContact CD1-CD2 3.96Å; I950-L1038 HydrophobicContact CD1-CG 4.37Å; I1034-L1038 WeakPolarHBondContact O-CB 3.41Å; I1034-L1038 PolarHBondContact O-N 3.33Å; E1035-L1038 PolarHBondContact O-N 2.95Å; L1038-Q1040 PolarHBondContact O-N 3.28Å; L1038-E1041 WeakPolarHBondContact O-CA 3.49Å; L1038-E1041 WeakPolarHBondContact O-CB 3.4Å; L1038-E1041 PolarHBondContact O-N 3.18Å; L1038-E1042 HydrophobicContact CD1-CG 4.25Å; L1038-E1042 HydrophobicContact CG-CG 4.34Å; L1038-E1042 WeakPolarHBondContact O-CG 3.24Å; L1038-E1042 PolarHBondContact O-N 3.29Å; L1038-L1110 HydrophobicContact CD2-CD1 3.79Å; L1038-M1116 HydrophobicContact CD2-CE 3.83Å
1039	S	94	Very high	94.1	Very high	40 Å²	40	38 Å²	38	28%	0.28	20%	0.202	S	C	.	.	H	α-helix	trans	-60.6	-33.2	175.5	-56.2	0	0	0	0	113	E1035 V1043	E1035-S1039 PolarHBondContact O-N 3.48Å; E1035-S1039 PolarHBondContact O-OG 3.25Å; E1035-S1039 VanDerWaalsContact O-OG 3.06Å; S1039-V1043 WeakPolarHBondContact O-CB 3.3Å; S1039-V1043 WeakPolarHBondContact O-CG1 3.36Å; S1039-V1043 PolarHBondContact O-N 3.1Å; S1039-V1043 VanDerWaalsContact O-N 3.12Å
1040	Q	93.1	Very high	94	Very high	92 Å²	92	38.7 Å²	38.7	43%	0.43	21%	0.208	S	C	.	.	H	α-helix	trans	-72.7	-27.4	173.9	-76.3	177	44	0	0	113.1	Q1036 A1037 L1038 C1044	Q1036-Q1040 VanDerWaalsContact O-CG 3.31Å; Q1036-Q1040 WeakPolarHBondContact O-CG 3.22Å; Q1036-Q1040 PolarHBondContact O-N 2.85Å; A1037-Q1040 WeakPolarHBondContact O-CB 3.36Å; A1037-Q1040 PolarHBondContact O-N 2.99Å; L1038-Q1040 PolarHBondContact O-N 3.28Å; Q1040-C1044 PolarHBondContact O-SG 3.07Å
1041	E	92	Very high	93.8	Very high	46 Å²	46	41 Å²	41	22%	0.215	22%	0.223	C	C	.	.	H	α-helix	trans	-76.3	-49.7	174.3	-169.7	168.9	155.6	0	0	110.5	C942 R943 A1037 L1038 V1043 C1044 D1045	C942-E1041 WeakPolarHBondContact CB-OE2 3.49Å; R943-E1041 VanDerWaalsContact CG-OE1 3.29Å; R943-E1041 WeakPolarHBondContact CG-OE1 3.48Å; R943-E1041 WeakPolarHBondContact CG-OE2 3.41Å; R943-E1041 PolarHBondContact N-OE2 3.22Å; A1037-E1041 PolarHBondContact O-N 3.12Å; L1038-E1041 WeakPolarHBondContact O-CA 3.49Å; L1038-E1041 WeakPolarHBondContact O-CB 3.4Å; L1038-E1041 PolarHBondContact O-N 3.18Å; E1041-V1043 PolarHBondContact O-N 3.02Å; E1041-C1044 WeakPolarHBondContact O-CA 3.33Å; E1041-C1044 WeakPolarHBondContact O-CB 3.48Å; E1041-C1044 PolarHBondContact O-N 2.9Å; E1041-D1045 PolarHBondContact O-N 2.92Å
1042	E	93.6	Very high	93.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.5	-43.3	178.2	-68.7	179.3	139.2	0	0	113.4	Y947 L1038 C1044 D1045 L1046 R1109 L1110 C1111	Y947-E1042 VanDerWaalsContact CE1-OE1 3.29Å; Y947-E1042 WeakPolarHBondContact CE1-OE1 3.36Å; Y947-E1042 VanDerWaalsContact OH-CG 3.31Å; Y947-E1042 WeakPolarHBondContact OH-CG 3.28Å; Y947-E1042 PolarHBondContact OH-OE1 3.49Å; L1038-E1042 HydrophobicContact CD1-CG 4.25Å; L1038-E1042 HydrophobicContact CG-CG 4.34Å; L1038-E1042 WeakPolarHBondContact O-CG 3.24Å; L1038-E1042 PolarHBondContact O-N 3.29Å; E1042-C1044 VanDerWaalsContact C-N 3.26Å; E1042-C1044 PolarHBondContact O-N 2.92Å; E1042-D1045 WeakPolarHBondContact O-CB 3.48Å; E1042-D1045 PolarHBondContact O-N 3.36Å; E1042-L1046 WeakPolarHBondContact O-CG 3.49Å; E1042-L1046 PolarHBondContact O-N 3.33Å; E1042-R1109 HydrophobicContact CB-CB 3.94Å; E1042-R1109 HydrophobicContact CB-CG 4.47Å; E1042-R1109 HydrophobicContact CG-CB 3.97Å; E1042-L1110 WeakPolarHBondContact OE1-CB 3.47Å; E1042-L1110 PolarHBondContact OE1-N 2.83Å; E1042-L1110 PolarHBondContact OE2-N 3.42Å; E1042-C1111 HydrophobicContact CB-CB 4.2Å; E1042-C1111 VanDerWaalsContact CB-SG 3.53Å; E1042-C1111 WeakPolarHBondContact OE2-CB 3.29Å; E1042-C1111 PolarHBondContact OE2-N 2.85Å
1043	V	93.6	Very high	93.8	Very high	69 Å²	69	46.5 Å²	46.5	42%	0.418	25%	0.247	S	C	.	.	H	α-helix	trans	-66.4	-31	176.8	73.2	0	0	0	0	111.7	S1039 E1041 L1047	S1039-V1043 WeakPolarHBondContact O-CB 3.3Å; S1039-V1043 WeakPolarHBondContact O-CG1 3.36Å; S1039-V1043 PolarHBondContact O-N 3.1Å; S1039-V1043 VanDerWaalsContact O-N 3.12Å; E1041-V1043 PolarHBondContact O-N 3.02Å; V1043-L1047 WeakPolarHBondContact O-CB 3.48Å; V1043-L1047 WeakPolarHBondContact O-CD1 3.26Å; V1043-L1047 WeakPolarHBondContact O-CG 3.46Å; V1043-L1047 PolarHBondContact O-N 3.45Å; V1043-L1047 VanDerWaalsContact O-N 3.07Å
1044	C	92.8	Very high	93.6	Very high	65 Å²	65	48.1 Å²	48.1	44%	0.439	26%	0.256	S	S	.	.	H	α-helix	trans	-69.6	-41.6	172.3	-74.7	0	0	0	0	111.5	Q1040 E1041 E1042 L1047 H1048	Q1040-C1044 PolarHBondContact O-SG 3.07Å; E1041-C1044 WeakPolarHBondContact O-CA 3.33Å; E1041-C1044 WeakPolarHBondContact O-CB 3.48Å; E1041-C1044 PolarHBondContact O-N 2.9Å; E1042-C1044 VanDerWaalsContact C-N 3.26Å; E1042-C1044 PolarHBondContact O-N 2.92Å; C1044-L1047 PolarHBondContact O-N 2.91Å; C1044-H1048 PolarHBondContact O-N 2.88Å; C1044-H1048 PolarHBondContact O-ND1 3.48Å
1045	D	92.3	Very high	93.4	Very high	61 Å²	61	52.8 Å²	52.8	33%	0.326	28%	0.28	S	S	.	.	H	α-helix	trans	-58.7	-49.4	173.9	-74.7	-3.6	0	0	0	111.1	E1041 E1042 L1047 H1048 A1049 R1109	E1041-D1045 PolarHBondContact O-N 2.92Å; E1042-D1045 WeakPolarHBondContact O-CB 3.48Å; E1042-D1045 PolarHBondContact O-N 3.36Å; D1045-L1047 VanDerWaalsContact C-N 3.32Å; D1045-L1047 PolarHBondContact O-N 2.8Å; D1045-H1048 PolarHBondContact O-N 3.25Å; D1045-H1048 VanDerWaalsContact O-N 3.08Å; D1045-A1049 WeakPolarHBondContact O-CB 3.33Å; D1045-A1049 PolarHBondContact O-N 3.04Å; D1045-R1109 IonicContact OD2-CZ 2.81Å; D1045-R1109 VanDerWaalsContact OD2-CZ 3.22Å; D1045-R1109 IonicContact OD2-NH1 2.85Å; D1045-R1109 PolarHBondContact OD2-NH1 3.14Å; D1045-R1109 IonicContact OD2-NH2 3.37Å; D1045-R1109 PolarHBondContact OD2-NH2 2.83Å
1046	L	93.9	Very high	93.2	Very high	34 Å²	34	53.7 Å²	53.7	18%	0.178	29%	0.285	C	S	.	.	H	α-helix	trans	-60.6	-38.1	179	-71.4	169.7	0	0	0	112.7	E1042 H1048 A1049 A1050 T1106 R1109 C1111	E1042-L1046 WeakPolarHBondContact O-CG 3.49Å; E1042-L1046 PolarHBondContact O-N 3.33Å; L1046-H1048 VanDerWaalsContact C-N 3.32Å; L1046-H1048 PolarHBondContact O-N 3.37Å; L1046-A1049 PolarHBondContact O-N 3.12Å; L1046-A1050 WeakPolarHBondContact O-CB 3.26Å; L1046-A1050 PolarHBondContact O-N 3.43Å; L1046-T1106 WeakPolarHBondContact CD2-O 3.5Å; L1046-R1109 HydrophobicContact CD1-CB 4.36Å; L1046-R1109 HydrophobicContact CD1-CG 4.25Å; L1046-R1109 HydrophobicContact CD2-CG 4Å; L1046-R1109 HydrophobicContact CG-CG 4.05Å; L1046-C1111 VanDerWaalsContact CD1-SG 3.59Å
1047	L	94.3	Very high	93.1	Very high	121 Å²	121	55.2 Å²	55.2	63%	0.634	30%	0.301	S	S	*	.	H	α-helix	trans	-65.5	-33	175.5	-75.6	169.3	0	0	0	112.8	V1043 C1044 D1045	V1043-L1047 WeakPolarHBondContact O-CB 3.48Å; V1043-L1047 WeakPolarHBondContact O-CD1 3.26Å; V1043-L1047 WeakPolarHBondContact O-CG 3.46Å; V1043-L1047 PolarHBondContact O-N 3.45Å; V1043-L1047 VanDerWaalsContact O-N 3.07Å; C1044-L1047 PolarHBondContact O-N 2.91Å; D1045-L1047 VanDerWaalsContact C-N 3.32Å; D1045-L1047 PolarHBondContact O-N 2.8Å
1048	H	93	Very high	92.7	Very high	142 Å²	142	64.9 Å²	64.9	66%	0.657	34%	0.336	S	S	*	.	H	α-helix	trans	-78.9	-30.3	173.6	-68.1	95.9	0	0	0	112.6	C1044 D1045 L1046 P1051 F1052	C1044-H1048 PolarHBondContact O-N 2.88Å; C1044-H1048 PolarHBondContact O-ND1 3.48Å; D1045-H1048 PolarHBondContact O-N 3.25Å; D1045-H1048 VanDerWaalsContact O-N 3.08Å; L1046-H1048 VanDerWaalsContact C-N 3.32Å; L1046-H1048 PolarHBondContact O-N 3.37Å; H1048-P1051 WeakPolarHBondContact O-CD 3.34Å; H1048-F1052 WeakPolarHBondContact O-CD2 3.47Å; H1048-F1052 WeakPolarHBondContact O-CE2 3.48Å
1049	A	93.5	Very high	92.4	Very high	10 Å²	10	66.1 Å²	66.1	8%	0.083	34%	0.344	C	S	.	.	H	α-helix	trans	-74	-33.3	176.4	0	0	0	0	0	113.3	D1045 L1046 P1051 F1052 Q1053 T1106	D1045-A1049 WeakPolarHBondContact O-CB 3.33Å; D1045-A1049 PolarHBondContact O-N 3.04Å; L1046-A1049 PolarHBondContact O-N 3.12Å; A1049-P1051 VanDerWaalsContact C-CD 3.42Å; A1049-P1051 VanDerWaalsContact O-N 3.12Å; A1049-F1052 WeakPolarHBondContact O-CA 3.28Å; A1049-F1052 PolarHBondContact O-N 2.94Å; A1049-Q1053 HydrophobicContact CB-CG 4.41Å; A1049-Q1053 PolarHBondContact O-N 3.29Å; A1049-T1106 HydrophobicContact CB-CG2 3.34Å
1050	A	93.6	Very high	92	Very high	16 Å²	16	72.6 Å²	72.6	13%	0.132	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.5	-45.2	-172.7	0	0	0	0	0	115.8	L1046 F1052 Q1053 N1054 I1055	L1046-A1050 WeakPolarHBondContact O-CB 3.26Å; L1046-A1050 PolarHBondContact O-N 3.43Å; A1050-F1052 VanDerWaalsContact C-N 3.25Å; A1050-F1052 PolarHBondContact O-N 2.8Å; A1050-Q1053 PolarHBondContact O-N 2.95Å; A1050-N1054 PolarHBondContact O-N 2.97Å; A1050-I1055 HydrophobicContact CB-CB 3.81Å; A1050-I1055 HydrophobicContact CB-CG2 4.08Å; A1050-I1055 PolarHBondContact O-N 3.28Å
1051	P	92.6	Very high	91.6	Very high	51 Å²	51	70.9 Å²	70.9	33%	0.331	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-27.6	178.1	-21.3	34.4	0	0	0	114.3	H1048 A1049 L1081	H1048-P1051 WeakPolarHBondContact O-CD 3.34Å; A1049-P1051 VanDerWaalsContact C-CD 3.42Å; A1049-P1051 VanDerWaalsContact O-N 3.12Å; P1051-L1081 HydrophobicContact CB-CD1 4.47Å
1052	F	95.2	Very high	91.1	Very high	103 Å²	103	75 Å²	75	45%	0.452	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-18.4	-178.2	-53.1	-74.9	0	0	0	112.8	H1048 A1049 A1050 L1081 H1082 L1083	H1048-F1052 WeakPolarHBondContact O-CD2 3.47Å; H1048-F1052 WeakPolarHBondContact O-CE2 3.48Å; A1049-F1052 WeakPolarHBondContact O-CA 3.28Å; A1049-F1052 PolarHBondContact O-N 2.94Å; A1050-F1052 VanDerWaalsContact C-N 3.25Å; A1050-F1052 PolarHBondContact O-N 2.8Å; F1052-L1081 WeakPolarHBondContact CA-O 3.24Å; F1052-L1081 HydrophobicContact CD1-CB 4.46Å; F1052-H1082 WeakPolarHBondContact O-CA 3.41Å; F1052-H1082 PolarHBondContact O-CD2 3.38Å; F1052-L1083 HydrophobicContact CB-CB 4.41Å; F1052-L1083 PolarHBondContact O-N 3.5Å
1053	Q	93.6	Very high	90.4	Very high	24 Å²	24	84.7 Å²	84.7	11%	0.112	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	14.3	178.2	-58.3	-170	-52.9	0	0	113.1	A1049 A1050 I1055 D1103	A1049-Q1053 HydrophobicContact CB-CG 4.41Å; A1049-Q1053 PolarHBondContact O-N 3.29Å; A1050-Q1053 PolarHBondContact O-N 2.95Å; Q1053-I1055 HydrophobicContact CB-CD1 4.25Å; Q1053-I1055 HydrophobicContact CB-CG1 4.36Å; Q1053-I1055 PolarHBondContact O-N 2.92Å; Q1053-D1103 WeakPolarHBondContact CG-OD1 3.34Å; Q1053-D1103 PolarHBondContact NE2-O 3.01Å; Q1053-D1103 PolarHBondContact NE2-OD1 3.2Å
1054	N	92	Very high	89.8	Confident	42 Å²	42	85.4 Å²	85.4	23%	0.225	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	27.2	-178.7	-163.5	39.6	0	0	0	114.7	A1050 E1075	A1050-N1054 PolarHBondContact O-N 2.97Å; N1054-E1075 PolarHBondContact ND2-OE1 3.37Å
1055	I	91.9	Very high	89.4	Confident	98 Å²	98	85.5 Å²	85.5	50%	0.503	44%	0.435	S	S	.	.			trans	-91.6	108.5	175.7	-59.9	170.7	0	0	0	108.2	A1050 Q1053	A1050-I1055 HydrophobicContact CB-CB 3.81Å; A1050-I1055 HydrophobicContact CB-CG2 4.08Å; A1050-I1055 PolarHBondContact O-N 3.28Å; Q1053-I1055 HydrophobicContact CB-CD1 4.25Å; Q1053-I1055 HydrophobicContact CB-CG1 4.36Å; Q1053-I1055 PolarHBondContact O-N 2.92Å
1056	L	89.7	Confident	89	Confident	33 Å²	33	91.5 Å²	91.5	17%	0.173	45%	0.453	C	S	.	.			trans	-111.8	137	-176.7	-64.3	176.5	0	0	0	112	M1071 L1074 E1075 Y1078	L1056-M1071 HydrophobicContact CB-CE 4.17Å; L1056-L1074 HydrophobicContact CB-CD2 4.3Å; L1056-L1074 HydrophobicContact CD1-CB 4.16Å; L1056-L1074 HydrophobicContact CD1-CD2 4.04Å; L1056-L1074 HydrophobicContact CD1-CG 3.99Å; L1056-L1074 HydrophobicContact CD2-CD2 4.46Å; L1056-E1075 HydrophobicContact CD1-CB 4.24Å; L1056-Y1078 HydrophobicContact CD1-CD2 4.19Å; L1056-Y1078 HydrophobicContact CD2-CD2 3.52Å; L1056-Y1078 HydrophobicContact CD2-CE2 4.11Å; L1056-Y1078 HydrophobicContact CD2-CG 4.06Å
1057	P	91.1	Very high	88.6	Confident	101 Å²	101	92.7 Å²	92.7	66%	0.656	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-68.1	151.7	176.1	29.9	-35.4	0	0	0	111.3	V1059	P1057-V1059 PolarHBondContact O-N 3.32Å
1058	R	87.5	Confident	88.3	Confident	207 Å²	207	93.5 Å²	93.5	78%	0.781	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-61	118.6	177.9	-174.9	177.1	179.8	176.6	0.2	110.8	L1067	R1058-L1067 HydrophobicContact CG-CD1 4.36Å
1059	V	86.9	Confident	88	Confident	33 Å²	33	90 Å²	90	20%	0.2	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-80.5	144.4	-176.7	-166.5	0	0	0	0	111.5	P1057 R1070 M1071 L1074	P1057-V1059 PolarHBondContact O-N 3.32Å; V1059-R1070 HydrophobicContact CG1-CG 4.3Å; V1059-M1071 HydrophobicContact CG2-SD 3.89Å; V1059-L1074 HydrophobicContact CG2-CD2 3.39Å; V1059-L1074 HydrophobicContact CG2-CG 4.47Å
1060	Y	86.7	Confident	87.7	Confident	177 Å²	177	93.2 Å²	93.2	69%	0.694	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-61.1	133.1	166.9	177.7	-99.7	0	0	0	111.3	K1062 R1070	Y1060-K1062 HydrophobicContact CD1-CG 4.48Å; Y1060-K1062 HydrophobicContact CE1-CG 3.93Å; Y1060-R1070 PolarHBondContact O-NE 3.28Å
1061	I	83	Confident	87.4	Confident	56 Å²	56	95 Å²	95	29%	0.287	46%	0.464	S	S	.	.			trans	-108.8	127.3	-176.3	-49.1	171.5	0	0	0	107.6	E1065 L1067	I1061-E1065 HydrophobicContact CG2-CB 3.65Å; I1061-E1065 WeakPolarHBondContact CG2-O 3.21Å; I1061-L1067 HydrophobicContact CD1-CB 3.61Å; I1061-L1067 HydrophobicContact CD1-CD1 3.91Å; I1061-L1067 HydrophobicContact CD1-CG 4.21Å; I1061-L1067 HydrophobicContact CG1-CD1 4.18Å
1062	K	82.8	Confident	87.2	Confident	131 Å²	131	99.4 Å²	99.4	57%	0.57	48%	0.478	S	S	*	.			trans	-81.4	155.2	169.8	-69.7	-176.6	175	-173.5	0	110.3	Y1060 G1064 E1065	Y1060-K1062 HydrophobicContact CD1-CG 4.48Å; Y1060-K1062 HydrophobicContact CE1-CG 3.93Å; K1062-G1064 PolarHBondContact O-N 3.12Å; K1062-E1065 HydrophobicContact CB-CG 4.46Å; K1062-E1065 PolarHBondContact N-OE2 3.31Å; K1062-E1065 WeakPolarHBondContact O-CB 3.36Å; K1062-E1065 PolarHBondContact O-N 3.38Å
1063	E	77.9	Confident	86.9	Confident	205 Å²	205	102.8 Å²	102.8	96%	0.958	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	129.1	174.9	-163.7	168.4	-157.7	0	0	110.7
1064	G	82.3	Confident	86.7	Confident	84 Å²	84	103.4 Å²	103.4	87%	0.866	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	-12.3	-172.8	0	0	0	0	0	116.4	K1062	K1062-G1064 PolarHBondContact O-N 3.12Å
1065	E	83.7	Confident	86.7	Confident	66 Å²	66	105.5 Å²	105.5	31%	0.308	50%	0.5	S	S	.	.			trans	-89.4	148.8	174.2	-65.5	-177.9	128.4	0	0	112.6	I1061 K1062 R1070	I1061-E1065 HydrophobicContact CG2-CB 3.65Å; I1061-E1065 WeakPolarHBondContact CG2-O 3.21Å; K1062-E1065 HydrophobicContact CB-CG 4.46Å; K1062-E1065 PolarHBondContact N-OE2 3.31Å; K1062-E1065 WeakPolarHBondContact O-CB 3.36Å; K1062-E1065 PolarHBondContact O-N 3.38Å; E1065-R1070 IonicContact OE1-CZ 2.87Å; E1065-R1070 IonicContact OE1-NH1 3.24Å; E1065-R1070 PolarHBondContact OE1-NH1 2.85Å; E1065-R1070 WeakPolarHBondContact OE2-CD 3.36Å; E1065-R1070 IonicContact OE2-CZ 2.73Å; E1065-R1070 IonicContact OE2-NE 3.67Å; E1065-R1070 IonicContact OE2-NH1 3.84Å; E1065-R1070 PolarHBondContact OE2-NH1 3.04Å
1066	R	84.5	Confident	86.6	Confident	188 Å²	188	104.2 Å²	104.2	71%	0.709	50%	0.504	S	S	*	.			trans	-99.7	136.5	169.9	-65.3	-173.9	-177.1	-173.5	1.4	110.7	E1068 V1069 R1070	R1066-E1068 VanDerWaalsContact C-N 3.32Å; R1066-E1068 PolarHBondContact O-N 2.98Å; R1066-V1069 HydrophobicContact CB-CB 4.46Å; R1066-V1069 HydrophobicContact CB-CG2 4.08Å; R1066-V1069 PolarHBondContact O-N 3.47Å; R1066-R1070 PolarHBondContact O-N 3.19Å; R1066-R1070 VanDerWaalsContact O-N 3.14Å
1067	L	85.8	Confident	86.7	Confident	59 Å²	59	109.1 Å²	109.1	31%	0.309	52%	0.524	S	S	.	.	H	α-helix	trans	-51.8	-49.9	178.6	-178.8	55.4	0	0	0	111.7	R1058 I1061 V1069 R1070 M1071	R1058-L1067 HydrophobicContact CG-CD1 4.36Å; I1061-L1067 HydrophobicContact CD1-CB 3.61Å; I1061-L1067 HydrophobicContact CD1-CD1 3.91Å; I1061-L1067 HydrophobicContact CD1-CG 4.21Å; I1061-L1067 HydrophobicContact CG1-CD1 4.18Å; L1067-V1069 VanDerWaalsContact C-N 3.34Å; L1067-V1069 PolarHBondContact O-N 3.16Å; L1067-R1070 PolarHBondContact O-N 3.49Å; L1067-R1070 VanDerWaalsContact O-N 3.14Å; L1067-M1071 HydrophobicContact CD1-CG 3.66Å; L1067-M1071 HydrophobicContact CD1-SD 4.2Å; L1067-M1071 HydrophobicContact CG-CG 4.02Å; L1067-M1071 WeakPolarHBondContact O-CB 3.27Å; L1067-M1071 WeakPolarHBondContact O-CG 3.46Å; L1067-M1071 PolarHBondContact O-N 3.44Å
1068	E	86.3	Confident	86.8	Confident	137 Å²	137	108.1 Å²	108.1	64%	0.64	51%	0.508	S	S	*	.	H	α-helix	trans	-55.3	-45.1	-179	-62.9	167.2	-171.4	0	0	112.9	R1066 R1070 K1072	R1066-E1068 VanDerWaalsContact C-N 3.32Å; R1066-E1068 PolarHBondContact O-N 2.98Å; E1068-R1070 VanDerWaalsContact C-N 3.34Å; E1068-K1072 WeakPolarHBondContact O-CB 3.33Å; E1068-K1072 WeakPolarHBondContact O-CG 3.24Å; E1068-K1072 PolarHBondContact O-N 2.92Å
1069	V	87.4	Confident	87	Confident	70 Å²	70	100.9 Å²	100.9	42%	0.424	49%	0.492	S	S	.	.	H	α-helix	trans	-67.2	-39.5	-179.7	178.6	0	0	0	0	110.3	R1066 L1067 R1073	R1066-V1069 HydrophobicContact CB-CB 4.46Å; R1066-V1069 HydrophobicContact CB-CG2 4.08Å; R1066-V1069 PolarHBondContact O-N 3.47Å; L1067-V1069 VanDerWaalsContact C-N 3.34Å; L1067-V1069 PolarHBondContact O-N 3.16Å; V1069-R1073 WeakPolarHBondContact O-CG 3.4Å; V1069-R1073 PolarHBondContact O-N 2.88Å; V1069-R1073 VanDerWaalsContact O-N 3.12Å
1070	R	86.4	Confident	87.3	Confident	76 Å²	76	103.4 Å²	103.4	29%	0.287	51%	0.51	S	S	.	.	H	α-helix	trans	-75.5	-36.6	-179.5	-166.8	157	175.1	136.8	0.5	112.3	V1059 Y1060 E1065 R1066 L1067 E1068 R1073 L1074	V1059-R1070 HydrophobicContact CG1-CG 4.3Å; Y1060-R1070 PolarHBondContact O-NE 3.28Å; E1065-R1070 IonicContact OE1-CZ 2.87Å; E1065-R1070 IonicContact OE1-NH1 3.24Å; E1065-R1070 PolarHBondContact OE1-NH1 2.85Å; E1065-R1070 WeakPolarHBondContact OE2-CD 3.36Å; E1065-R1070 IonicContact OE2-CZ 2.73Å; E1065-R1070 IonicContact OE2-NE 3.67Å; E1065-R1070 IonicContact OE2-NH1 3.84Å; E1065-R1070 PolarHBondContact OE2-NH1 3.04Å; R1066-R1070 PolarHBondContact O-N 3.19Å; R1066-R1070 VanDerWaalsContact O-N 3.14Å; L1067-R1070 PolarHBondContact O-N 3.49Å; L1067-R1070 VanDerWaalsContact O-N 3.14Å; E1068-R1070 VanDerWaalsContact C-N 3.34Å; R1070-R1073 PolarHBondContact O-N 3.33Å; R1070-L1074 PolarHBondContact O-N 3.44Å; R1070-L1074 VanDerWaalsContact O-N 3.09Å
1071	M	88.3	Confident	87.6	Confident	53 Å²	53	98.6 Å²	98.6	26%	0.261	50%	0.495	S	S	.	.	H	α-helix	trans	-63.5	-49.9	171.1	-71.7	-62.5	-66.9	0	0	111	L1056 V1059 L1067 R1073 L1074 E1075	L1056-M1071 HydrophobicContact CB-CE 4.17Å; V1059-M1071 HydrophobicContact CG2-SD 3.89Å; L1067-M1071 HydrophobicContact CD1-CG 3.66Å; L1067-M1071 HydrophobicContact CD1-SD 4.2Å; L1067-M1071 HydrophobicContact CG-CG 4.02Å; L1067-M1071 WeakPolarHBondContact O-CB 3.27Å; L1067-M1071 WeakPolarHBondContact O-CG 3.46Å; L1067-M1071 PolarHBondContact O-N 3.44Å; M1071-R1073 VanDerWaalsContact C-N 3.29Å; M1071-R1073 PolarHBondContact O-N 3.08Å; M1071-L1074 CarbonylContact O-C 3.43Å; M1071-L1074 WeakPolarHBondContact O-CA 3.43Å; M1071-L1074 WeakPolarHBondContact O-CB 3.44Å; M1071-L1074 PolarHBondContact O-N 2.93Å; M1071-E1075 WeakPolarHBondContact O-CB 3.29Å; M1071-E1075 PolarHBondContact O-N 3.16Å
1072	K	88.8	Confident	88.1	Confident	144 Å²	144	98.2 Å²	98.2	63%	0.626	49%	0.492	S	S	*	.	H	α-helix	trans	-59.5	-35.8	177.3	-75.6	179.5	177.3	-177.9	0	113.2	E1068 A1076	E1068-K1072 WeakPolarHBondContact O-CB 3.33Å; E1068-K1072 WeakPolarHBondContact O-CG 3.24Å; E1068-K1072 PolarHBondContact O-N 2.92Å; K1072-A1076 WeakPolarHBondContact O-CB 3.47Å; K1072-A1076 PolarHBondContact O-N 3.38Å
1073	R	88.7	Confident	88.6	Confident	174 Å²	174	95.8 Å²	95.8	66%	0.657	49%	0.485	S	S	*	.	H	α-helix	trans	-66.5	-35.7	171.9	-76.6	175.9	179.2	-179.1	0.3	112.7	V1069 R1070 M1071 K1077	V1069-R1073 WeakPolarHBondContact O-CG 3.4Å; V1069-R1073 PolarHBondContact O-N 2.88Å; V1069-R1073 VanDerWaalsContact O-N 3.12Å; R1070-R1073 PolarHBondContact O-N 3.33Å; M1071-R1073 VanDerWaalsContact C-N 3.29Å; M1071-R1073 PolarHBondContact O-N 3.08Å; R1073-K1077 PolarHBondContact O-N 3.26Å; R1073-K1077 VanDerWaalsContact O-N 3.14Å
1074	L	89.5	Confident	89.4	Confident	37 Å²	37	86.9 Å²	86.9	19%	0.194	45%	0.445	C	S	.	.	H	α-helix	trans	-74.8	-40.7	178.2	-162.5	71.9	0	0	0	111.5	L1056 V1059 R1070 M1071 K1077 Y1078	L1056-L1074 HydrophobicContact CB-CD2 4.3Å; L1056-L1074 HydrophobicContact CD1-CB 4.16Å; L1056-L1074 HydrophobicContact CD1-CD2 4.04Å; L1056-L1074 HydrophobicContact CD1-CG 3.99Å; L1056-L1074 HydrophobicContact CD2-CD2 4.46Å; V1059-L1074 HydrophobicContact CG2-CD2 3.39Å; V1059-L1074 HydrophobicContact CG2-CG 4.47Å; R1070-L1074 PolarHBondContact O-N 3.44Å; R1070-L1074 VanDerWaalsContact O-N 3.09Å; M1071-L1074 CarbonylContact O-C 3.43Å; M1071-L1074 WeakPolarHBondContact O-CA 3.43Å; M1071-L1074 WeakPolarHBondContact O-CB 3.44Å; M1071-L1074 PolarHBondContact O-N 2.93Å; L1074-K1077 HydrophobicContact CD1-CD 4.27Å; L1074-K1077 WeakPolarHBondContact O-CA 3.4Å; L1074-K1077 VanDerWaalsContact O-CB 3.32Å; L1074-K1077 WeakPolarHBondContact O-CB 3.32Å; L1074-K1077 PolarHBondContact O-N 2.9Å; L1074-K1077 VanDerWaalsContact O-N 3.11Å; L1074-Y1078 HydrophobicContact CD1-CD2 4.2Å; L1074-Y1078 HydrophobicContact CD1-CE2 3.7Å; L1074-Y1078 HydrophobicContact CD2-CE2 4.32Å; L1074-Y1078 HydrophobicContact CG-CD2 3.89Å; L1074-Y1078 HydrophobicContact CG-CE2 3.8Å; L1074-Y1078 VanDerWaalsContact O-CD2 3.29Å; L1074-Y1078 WeakPolarHBondContact O-CD2 3.48Å; L1074-Y1078 PolarHBondContact O-N 3.44Å
1075	E	91.4	Very high	90	Very high	87 Å²	87	85.6 Å²	85.6	41%	0.407	42%	0.421	S	S	.	.	H	α-helix	trans	-57	-49.4	169.9	176.6	170	-142	0	0	110.9	N1054 L1056 M1071 K1077 Y1078 A1079	N1054-E1075 PolarHBondContact ND2-OE1 3.37Å; L1056-E1075 HydrophobicContact CD1-CB 4.24Å; M1071-E1075 WeakPolarHBondContact O-CB 3.29Å; M1071-E1075 PolarHBondContact O-N 3.16Å; E1075-K1077 PolarHBondContact O-N 3.47Å; E1075-Y1078 CarbonylContact O-C 3.59Å; E1075-Y1078 PolarHBondContact O-N 2.96Å; E1075-Y1078 VanDerWaalsContact O-N 3.09Å; E1075-A1079 WeakPolarHBondContact O-CB 3.4Å; E1075-A1079 PolarHBondContact O-N 3.08Å
1076	A	90.9	Very high	90.5	Very high	71 Å²	71	85 Å²	85	59%	0.587	42%	0.42	S	S	*	.	H	α-helix	trans	-59.7	-30.7	174.1	0	0	0	0	0	113.6	K1072	K1072-A1076 WeakPolarHBondContact O-CB 3.47Å; K1072-A1076 PolarHBondContact O-N 3.38Å
1077	K	91.4	Very high	91	Very high	136 Å²	136	78 Å²	78	59%	0.591	40%	0.396	S	S	*	.	H	α-helix	trans	-71.5	-37.6	175	-174.5	-164.8	174.1	-164.3	0	112.2	R1073 L1074 E1075 P1080	R1073-K1077 PolarHBondContact O-N 3.26Å; R1073-K1077 VanDerWaalsContact O-N 3.14Å; L1074-K1077 HydrophobicContact CD1-CD 4.27Å; L1074-K1077 WeakPolarHBondContact O-CA 3.4Å; L1074-K1077 VanDerWaalsContact O-CB 3.32Å; L1074-K1077 WeakPolarHBondContact O-CB 3.32Å; L1074-K1077 PolarHBondContact O-N 2.9Å; L1074-K1077 VanDerWaalsContact O-N 3.11Å; E1075-K1077 PolarHBondContact O-N 3.47Å; K1077-P1080 WeakPolarHBondContact O-CD 3.27Å
1078	Y	93.3	Very high	91.4	Very high	80 Å²	80	79.1 Å²	79.1	31%	0.314	40%	0.399	S	S	.	.	H	α-helix	trans	-97.6	-5.9	-177.6	-70.1	-67.9	0	0	0	114.6	L1056 L1074 E1075 P1080 L1081	L1056-Y1078 HydrophobicContact CD1-CD2 4.19Å; L1056-Y1078 HydrophobicContact CD2-CD2 3.52Å; L1056-Y1078 HydrophobicContact CD2-CE2 4.11Å; L1056-Y1078 HydrophobicContact CD2-CG 4.06Å; L1074-Y1078 HydrophobicContact CD1-CD2 4.2Å; L1074-Y1078 HydrophobicContact CD1-CE2 3.7Å; L1074-Y1078 HydrophobicContact CD2-CE2 4.32Å; L1074-Y1078 HydrophobicContact CG-CD2 3.89Å; L1074-Y1078 HydrophobicContact CG-CE2 3.8Å; L1074-Y1078 VanDerWaalsContact O-CD2 3.29Å; L1074-Y1078 WeakPolarHBondContact O-CD2 3.48Å; L1074-Y1078 PolarHBondContact O-N 3.44Å; E1075-Y1078 CarbonylContact O-C 3.59Å; E1075-Y1078 PolarHBondContact O-N 2.96Å; E1075-Y1078 VanDerWaalsContact O-N 3.09Å; Y1078-P1080 VanDerWaalsContact O-N 3.09Å; Y1078-L1081 HydrophobicContact CD1-CD1 3.76Å; Y1078-L1081 HydrophobicContact CD1-CG 4.46Å; Y1078-L1081 HydrophobicContact CE1-CD1 4.37Å; Y1078-L1081 WeakPolarHBondContact O-CB 3.42Å; Y1078-L1081 PolarHBondContact O-N 3.36Å
1079	A	91.5	Very high	91.8	Very high	54 Å²	54	81.1 Å²	81.1	45%	0.446	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-47.9	-34	173.6	0	0	0	0	0	115	E1075 L1081 H1082	E1075-A1079 WeakPolarHBondContact O-CB 3.4Å; E1075-A1079 PolarHBondContact O-N 3.08Å; A1079-L1081 PolarHBondContact O-N 3.23Å; A1079-H1082 PolarHBondContact O-N 3.36Å
1080	P	92.7	Very high	92.1	Very high	87 Å²	87	83.8 Å²	83.8	57%	0.565	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-65.2	-18	173.2	-23.4	35.7	0	0	0	115.4	K1077 Y1078	K1077-P1080 WeakPolarHBondContact O-CD 3.27Å; Y1078-P1080 VanDerWaalsContact O-N 3.09Å
1081	L	93.2	Very high	92.4	Very high	75 Å²	75	81.3 Å²	81.3	39%	0.393	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-90.9	-14.4	176	-54.5	-172	0	0	0	113	P1051 F1052 Y1078 A1079 L1083	P1051-L1081 HydrophobicContact CB-CD1 4.47Å; F1052-L1081 WeakPolarHBondContact CA-O 3.24Å; F1052-L1081 HydrophobicContact CD1-CB 4.46Å; Y1078-L1081 HydrophobicContact CD1-CD1 3.76Å; Y1078-L1081 HydrophobicContact CD1-CG 4.46Å; Y1078-L1081 HydrophobicContact CE1-CD1 4.37Å; Y1078-L1081 WeakPolarHBondContact O-CB 3.42Å; Y1078-L1081 PolarHBondContact O-N 3.36Å; A1079-L1081 PolarHBondContact O-N 3.23Å; L1081-L1083 PolarHBondContact O-N 3.46Å
1082	H	93.9	Very high	92.7	Very high	48 Å²	48	81.6 Å²	81.6	22%	0.222	42%	0.415	C	S	.	.			trans	-69.2	105.3	-175.6	-168.4	178.4	0	0	0	110	F1052 A1079 P1085 L1086	F1052-H1082 WeakPolarHBondContact O-CA 3.41Å; F1052-H1082 PolarHBondContact O-CD2 3.38Å; A1079-H1082 PolarHBondContact O-N 3.36Å; H1082-P1085 WeakPolarHBondContact CD2-CD 3.43Å; H1082-P1085 WeakPolarHBondContact NE2-CD 3.45Å; H1082-L1086 VanDerWaalsContact O-CB 3.31Å; H1082-L1086 WeakPolarHBondContact O-CB 3.35Å; H1082-L1086 PolarHBondContact O-N 2.91Å
1083	L	93.1	Very high	93	Very high	80 Å²	80	79.6 Å²	79.6	42%	0.419	42%	0.417	S	S	.	.	H	α-helix	trans	-67.2	-49	-160.7	-177.2	63.8	0	0	0	113	F1052 L1081 L1086 I1087	F1052-L1083 HydrophobicContact CB-CB 4.41Å; F1052-L1083 PolarHBondContact O-N 3.5Å; L1081-L1083 PolarHBondContact O-N 3.46Å; L1083-L1086 PolarHBondContact O-N 3.45Å; L1083-I1087 HydrophobicContact CD1-CD1 3.7Å; L1083-I1087 HydrophobicContact CD1-CG1 4.28Å; L1083-I1087 HydrophobicContact CG-CD1 3.96Å; L1083-I1087 WeakPolarHBondContact O-CG1 3.13Å; L1083-I1087 PolarHBondContact O-N 3.33Å
1084	V	94.4	Very high	93.3	Very high	19 Å²	19	77.3 Å²	77.3	12%	0.115	41%	0.413	C	S	.	.	H	α-helix	trans	-63.9	-51.6	-175.4	177.2	0	0	0	0	111.4	L1086 I1087 E1088 R1100 D1103	V1084-L1086 VanDerWaalsContact C-N 3.27Å; V1084-L1086 PolarHBondContact O-N 3.21Å; V1084-I1087 PolarHBondContact O-N 3.07Å; V1084-I1087 VanDerWaalsContact O-N 3.15Å; V1084-E1088 HydrophobicContact CG1-CG 4.2Å; V1084-E1088 WeakPolarHBondContact O-CB 3.44Å; V1084-E1088 WeakPolarHBondContact O-CG 3.49Å; V1084-E1088 PolarHBondContact O-N 3.35Å; V1084-R1100 HydrophobicContact CG1-CG 3.95Å; V1084-D1103 HydrophobicContact CG2-CB 3.61Å
1085	P	94.4	Very high	93.5	Very high	56 Å²	56	80.4 Å²	80.4	36%	0.364	43%	0.427	S	S	.	.	H	α-helix	trans	-64	-27.9	176.4	-25.7	38	0	0	0	114.3	H1082 R1089	H1082-P1085 WeakPolarHBondContact CD2-CD 3.43Å; H1082-P1085 WeakPolarHBondContact NE2-CD 3.45Å; P1085-R1089 WeakPolarHBondContact O-CB 3.23Å; P1085-R1089 PolarHBondContact O-N 3.08Å; P1085-R1089 VanDerWaalsContact O-N 3.12Å
1086	L	94	Very high	93.7	Very high	55 Å²	55	77.7 Å²	77.7	29%	0.288	42%	0.415	S	S	.	.	H	α-helix	trans	-66.9	-43.9	174	-177.7	63.2	0	0	0	111.2	H1082 L1083 V1084 R1089 L1090	H1082-L1086 VanDerWaalsContact O-CB 3.31Å; H1082-L1086 WeakPolarHBondContact O-CB 3.35Å; H1082-L1086 PolarHBondContact O-N 2.91Å; L1083-L1086 PolarHBondContact O-N 3.45Å; V1084-L1086 VanDerWaalsContact C-N 3.27Å; V1084-L1086 PolarHBondContact O-N 3.21Å; L1086-R1089 VanDerWaalsContact CD1-NH2 3.35Å; L1086-R1089 PolarHBondContact O-N 3.01Å; L1086-L1090 HydrophobicContact CD1-CD1 3.61Å; L1086-L1090 HydrophobicContact CD1-CG 4.41Å; L1086-L1090 HydrophobicContact CG-CD1 4.36Å; L1086-L1090 WeakPolarHBondContact O-CB 3.17Å; L1086-L1090 PolarHBondContact O-N 3.5Å; L1086-L1090 VanDerWaalsContact O-N 3.11Å
1087	I	94.8	Very high	93.9	Very high	40 Å²	40	76.5 Å²	76.5	21%	0.205	41%	0.405	C	S	.	.	H	α-helix	trans	-73.1	-34.8	176.8	-66.3	175.5	0	0	0	111.2	L1083 V1084 R1089 L1090 G1091 Q1095 I1096 A1099	L1083-I1087 HydrophobicContact CD1-CD1 3.7Å; L1083-I1087 HydrophobicContact CD1-CG1 4.28Å; L1083-I1087 HydrophobicContact CG-CD1 3.96Å; L1083-I1087 WeakPolarHBondContact O-CG1 3.13Å; L1083-I1087 PolarHBondContact O-N 3.33Å; V1084-I1087 PolarHBondContact O-N 3.07Å; V1084-I1087 VanDerWaalsContact O-N 3.15Å; I1087-R1089 PolarHBondContact O-N 3.1Å; I1087-L1090 PolarHBondContact O-N 3.27Å; I1087-G1091 VanDerWaalsContact O-CA 3.26Å; I1087-G1091 WeakPolarHBondContact O-CA 3.49Å; I1087-G1091 PolarHBondContact O-N 3.41Å; I1087-Q1095 HydrophobicContact CG2-CB 3.96Å; I1087-I1096 HydrophobicContact CG2-CG1 3.97Å; I1087-A1099 HydrophobicContact CB-CB 4.24Å; I1087-A1099 HydrophobicContact CD1-CB 3.62Å; I1087-A1099 HydrophobicContact CG2-CB 3.98Å
1088	E	94.9	Very high	94	Very high	82 Å²	82	75.4 Å²	75.4	38%	0.383	41%	0.405	S	S	.	.	H	α-helix	trans	-63.1	-28	172.2	-73	176	158.2	0	0	113.1	V1084 I1096 R1100	V1084-E1088 HydrophobicContact CG1-CG 4.2Å; V1084-E1088 WeakPolarHBondContact O-CB 3.44Å; V1084-E1088 WeakPolarHBondContact O-CG 3.49Å; V1084-E1088 PolarHBondContact O-N 3.35Å; E1088-I1096 HydrophobicContact CG-CG1 4.35Å; E1088-I1096 HydrophobicContact CG-CG2 3.9Å; E1088-R1100 IonicContact OE1-CZ 2.58Å; E1088-R1100 IonicContact OE1-NE 3.65Å; E1088-R1100 PolarHBondContact OE1-NE 3.05Å; E1088-R1100 IonicContact OE1-NH2 3.61Å; E1088-R1100 PolarHBondContact OE1-NH2 3.47Å
1089	R	94.1	Very high	94	Very high	180 Å²	180	72.2 Å²	72.2	68%	0.679	40%	0.395	S	S	*	.	H	α-helix	trans	-86.6	-30.5	177.7	-173.8	177.9	64.5	179.2	-2	114	P1085 L1086 I1087	P1085-R1089 WeakPolarHBondContact O-CB 3.23Å; P1085-R1089 PolarHBondContact O-N 3.08Å; P1085-R1089 VanDerWaalsContact O-N 3.12Å; L1086-R1089 VanDerWaalsContact CD1-NH2 3.35Å; L1086-R1089 PolarHBondContact O-N 3.01Å; I1087-R1089 PolarHBondContact O-N 3.1Å
1090	L	94.7	Very high	94.2	Very high	126 Å²	126	76.3 Å²	76.3	66%	0.66	40%	0.399	S	S	*	.	H	α-helix	trans	-124.5	-16	-167.7	-59	179.4	0	0	0	115	L1086 I1087	L1086-L1090 HydrophobicContact CD1-CD1 3.61Å; L1086-L1090 HydrophobicContact CD1-CG 4.41Å; L1086-L1090 HydrophobicContact CG-CD1 4.36Å; L1086-L1090 WeakPolarHBondContact O-CB 3.17Å; L1086-L1090 PolarHBondContact O-N 3.5Å; L1086-L1090 VanDerWaalsContact O-N 3.11Å; I1087-L1090 PolarHBondContact O-N 3.27Å
1091	G	93.1	Very high	94.2	Very high	23 Å²	23	78.2 Å²	78.2	24%	0.237	40%	0.4	C	S	.	.	S	Bend	trans	-98.1	168.8	-172.3	0	0	0	0	0	114.3	I1087	I1087-G1091 VanDerWaalsContact O-CA 3.26Å; I1087-G1091 WeakPolarHBondContact O-CA 3.49Å; I1087-G1091 PolarHBondContact O-N 3.41Å
1092	T	94.9	Very high	94.2	Very high	60 Å²	60	76.1 Å²	76.1	37%	0.368	40%	0.397	S	S	.	.			trans	-77.1	161.7	174.6	78.8	0	0	0	0	111.6	Q1094 Q1095 I1096	T1092-Q1094 VanDerWaalsContact CB-OE1 3.32Å; T1092-Q1094 PolarHBondContact O-N 3.43Å; T1092-Q1094 VanDerWaalsContact O-N 3.15Å; T1092-Q1094 PolarHBondContact OG1-N 2.74Å; T1092-Q1094 PolarHBondContact OG1-OE1 3.32Å; T1092-Q1095 WeakPolarHBondContact O-CB 3.44Å; T1092-Q1095 PolarHBondContact O-N 2.96Å; T1092-Q1095 PolarHBondContact OG1-N 3.01Å; T1092-I1096 WeakPolarHBondContact O-CG1 3.32Å; T1092-I1096 PolarHBondContact O-N 3.17Å
1093	P	95.1	Very high	94.2	Very high	101 Å²	101	75.2 Å²	75.2	66%	0.656	39%	0.393	S	S	*	.	H	α-helix	trans	-53.7	-34.3	174.5	-28.2	36.7	0	0	0	114.1	A1097	P1093-A1097 PolarHBondContact O-N 3.33Å
1094	Q	94.2	Very high	94.2	Very high	126 Å²	126	74.9 Å²	74.9	59%	0.589	39%	0.391	S	S	*	.	H	α-helix	trans	-67.9	-44.4	174.6	-57.7	82.3	1.8	0	0	111.6	T1092 I1096 A1097 I1098	T1092-Q1094 VanDerWaalsContact CB-OE1 3.32Å; T1092-Q1094 PolarHBondContact O-N 3.43Å; T1092-Q1094 VanDerWaalsContact O-N 3.15Å; T1092-Q1094 PolarHBondContact OG1-N 2.74Å; T1092-Q1094 PolarHBondContact OG1-OE1 3.32Å; Q1094-I1096 VanDerWaalsContact C-N 3.3Å; Q1094-I1096 PolarHBondContact O-N 2.84Å; Q1094-A1097 PolarHBondContact O-N 2.85Å; Q1094-I1098 WeakPolarHBondContact O-CD1 3.3Å; Q1094-I1098 VanDerWaalsContact O-CG1 3.28Å; Q1094-I1098 WeakPolarHBondContact O-CG1 3.47Å; Q1094-I1098 PolarHBondContact O-N 3.27Å
1095	Q	94.4	Very high	94	Very high	102 Å²	102	80.2 Å²	80.2	48%	0.477	42%	0.419	S	S	.	.	H	α-helix	trans	-63.5	-37.4	176.4	-68.8	173.7	-31.6	0	0	111.6	I1087 T1092 A1099	I1087-Q1095 HydrophobicContact CG2-CB 3.96Å; T1092-Q1095 WeakPolarHBondContact O-CB 3.44Å; T1092-Q1095 PolarHBondContact O-N 2.96Å; T1092-Q1095 PolarHBondContact OG1-N 3.01Å; Q1095-A1099 WeakPolarHBondContact O-CB 3.19Å; Q1095-A1099 PolarHBondContact O-N 3.47Å
1096	I	94.4	Very high	93.9	Very high	30 Å²	30	80 Å²	80	15%	0.154	42%	0.416	C	S	.	.	H	α-helix	trans	-64.7	-44.7	175.8	-65.7	166.6	0	0	0	111.1	I1087 E1088 T1092 Q1094 A1099 R1100	I1087-I1096 HydrophobicContact CG2-CG1 3.97Å; E1088-I1096 HydrophobicContact CG-CG1 4.35Å; E1088-I1096 HydrophobicContact CG-CG2 3.9Å; T1092-I1096 WeakPolarHBondContact O-CG1 3.32Å; T1092-I1096 PolarHBondContact O-N 3.17Å; Q1094-I1096 VanDerWaalsContact C-N 3.3Å; Q1094-I1096 PolarHBondContact O-N 2.84Å; I1096-A1099 PolarHBondContact O-N 2.99Å; I1096-R1100 WeakPolarHBondContact O-CB 3.15Å; I1096-R1100 VanDerWaalsContact O-CG 3.31Å; I1096-R1100 WeakPolarHBondContact O-CG 3.02Å; I1096-R1100 PolarHBondContact O-N 3.4Å
1097	A	94.7	Very high	93.7	Very high	46 Å²	46	81.3 Å²	81.3	38%	0.38	42%	0.42	S	S	.	.	H	α-helix	trans	-59.9	-52.1	175.9	0	0	0	0	0	111.3	P1093 Q1094 A1099 R1100 E1101	P1093-A1097 PolarHBondContact O-N 3.33Å; Q1094-A1097 PolarHBondContact O-N 2.85Å; A1097-A1099 VanDerWaalsContact C-N 3.32Å; A1097-A1099 PolarHBondContact O-N 3.42Å; A1097-R1100 PolarHBondContact O-N 3.48Å; A1097-E1101 WeakPolarHBondContact O-CG 3.46Å; A1097-E1101 PolarHBondContact O-N 3.18Å
1098	I	94.5	Very high	93.6	Very high	114 Å²	114	85.7 Å²	85.7	59%	0.585	44%	0.439	S	S	*	.	H	α-helix	trans	-59.9	-40.7	178.3	-65.7	164.1	0	0	0	111.4	Q1094 E1101 G1102	Q1094-I1098 WeakPolarHBondContact O-CD1 3.3Å; Q1094-I1098 VanDerWaalsContact O-CG1 3.28Å; Q1094-I1098 WeakPolarHBondContact O-CG1 3.47Å; Q1094-I1098 PolarHBondContact O-N 3.27Å; I1098-E1101 PolarHBondContact O-N 3.33Å; I1098-G1102 PolarHBondContact O-N 3.21Å
1099	A	93.6	Very high	93.5	Very high	13 Å²	13	83.7 Å²	83.7	11%	0.107	43%	0.428	C	S	.	.	H	α-helix	trans	-66.9	-38.9	178.8	0	0	0	0	0	112.5	I1087 Q1095 I1096 A1097 D1103	I1087-A1099 HydrophobicContact CB-CB 4.24Å; I1087-A1099 HydrophobicContact CD1-CB 3.62Å; I1087-A1099 HydrophobicContact CG2-CB 3.98Å; Q1095-A1099 WeakPolarHBondContact O-CB 3.19Å; Q1095-A1099 PolarHBondContact O-N 3.47Å; I1096-A1099 PolarHBondContact O-N 2.99Å; A1097-A1099 VanDerWaalsContact C-N 3.32Å; A1097-A1099 PolarHBondContact O-N 3.42Å; A1099-D1103 WeakPolarHBondContact O-CB 3.23Å; A1099-D1103 PolarHBondContact O-N 2.91Å
1100	R	94.4	Very high	93.3	Very high	139 Å²	139	77.3 Å²	77.3	53%	0.525	41%	0.408	S	S	.	.	H	α-helix	trans	-68.7	-40.4	175.8	-73	173.1	178	173.1	-1.3	112	V1084 E1088 I1096 A1097 L1104	V1084-R1100 HydrophobicContact CG1-CG 3.95Å; E1088-R1100 IonicContact OE1-CZ 2.58Å; E1088-R1100 IonicContact OE1-NE 3.65Å; E1088-R1100 PolarHBondContact OE1-NE 3.05Å; E1088-R1100 IonicContact OE1-NH2 3.61Å; E1088-R1100 PolarHBondContact OE1-NH2 3.47Å; I1096-R1100 WeakPolarHBondContact O-CB 3.15Å; I1096-R1100 VanDerWaalsContact O-CG 3.31Å; I1096-R1100 WeakPolarHBondContact O-CG 3.02Å; I1096-R1100 PolarHBondContact O-N 3.4Å; A1097-R1100 PolarHBondContact O-N 3.48Å; R1100-L1104 WeakPolarHBondContact O-CB 3.5Å; R1100-L1104 PolarHBondContact O-N 3.07Å
1101	E	93.9	Very high	93.1	Very high	128 Å²	128	73.6 Å²	73.6	60%	0.598	39%	0.391	S	S	*	.	H	α-helix	trans	-65.6	-46	174.2	-72.6	175.4	-173.7	0	0	111.7	A1097 I1098 D1103 L1104 L1105	A1097-E1101 WeakPolarHBondContact O-CG 3.46Å; A1097-E1101 PolarHBondContact O-N 3.18Å; I1098-E1101 PolarHBondContact O-N 3.33Å; E1101-D1103 PolarHBondContact O-N 2.77Å; E1101-L1104 WeakPolarHBondContact O-CB 3.48Å; E1101-L1104 PolarHBondContact O-N 2.67Å; E1101-L1105 WeakPolarHBondContact O-CG 3.37Å; E1101-L1105 PolarHBondContact O-N 3.48Å
1102	G	93.3	Very high	92.9	Very high	31 Å²	31	76.4 Å²	76.4	32%	0.32	41%	0.406	S	S	.	.	H	α-helix	trans	-62.6	-41.4	176.5	0	0	0	0	0	112.9	I1098 L1104 L1105 T1106	I1098-G1102 PolarHBondContact O-N 3.21Å; G1102-L1104 VanDerWaalsContact C-N 3.34Å; G1102-L1105 PolarHBondContact O-N 2.87Å; G1102-T1106 WeakPolarHBondContact O-CB 3.4Å; G1102-T1106 PolarHBondContact O-N 3.43Å; G1102-T1106 PolarHBondContact O-OG1 2.93Å
1103	D	92.7	Very high	92.5	Very high	28 Å²	28	76.9 Å²	76.9	15%	0.15	42%	0.423	C	S	.	.	H	α-helix	trans	-62.1	-40.5	174	178.2	72.6	0	0	0	112.1	Q1053 V1084 A1099 E1101 T1106 K1107	Q1053-D1103 WeakPolarHBondContact CG-OD1 3.34Å; Q1053-D1103 PolarHBondContact NE2-O 3.01Å; Q1053-D1103 PolarHBondContact NE2-OD1 3.2Å; V1084-D1103 HydrophobicContact CG2-CB 3.61Å; A1099-D1103 WeakPolarHBondContact O-CB 3.23Å; A1099-D1103 PolarHBondContact O-N 2.91Å; E1101-D1103 PolarHBondContact O-N 2.77Å; D1103-T1106 PolarHBondContact O-N 3.35Å; D1103-K1107 WeakPolarHBondContact O-CG 3.49Å; D1103-K1107 PolarHBondContact O-N 3.11Å; D1103-K1107 IonicContact OD2-NZ 2.7Å; D1103-K1107 PolarHBondContact OD2-NZ 3.34Å
1104	L	92.7	Very high	92.1	Very high	73 Å²	73	77.9 Å²	77.9	38%	0.382	42%	0.423	S	S	.	.	H	α-helix	trans	-60.8	-53.7	175.8	-167.9	68.1	0	0	0	111.5	R1100 E1101 G1102 T1106 K1107 E1108	R1100-L1104 WeakPolarHBondContact O-CB 3.5Å; R1100-L1104 PolarHBondContact O-N 3.07Å; E1101-L1104 WeakPolarHBondContact O-CB 3.48Å; E1101-L1104 PolarHBondContact O-N 2.67Å; G1102-L1104 VanDerWaalsContact C-N 3.34Å; L1104-T1106 PolarHBondContact O-N 3.09Å; L1104-K1107 PolarHBondContact O-N 2.85Å; L1104-E1108 HydrophobicContact CD1-CG 4.11Å; L1104-E1108 VanDerWaalsContact CD1-OE1 3.24Å; L1104-E1108 WeakPolarHBondContact CD1-OE1 3.14Å; L1104-E1108 WeakPolarHBondContact O-CB 3.31Å; L1104-E1108 PolarHBondContact O-N 2.96Å
1105	L	91.5	Very high	91.7	Very high	132 Å²	132	73.7 Å²	73.7	69%	0.691	41%	0.407	S	S	*	.	H	α-helix	trans	-61.5	-24.3	176.2	-65.6	172.7	0	0	0	113.4	E1101 G1102 R1109	E1101-L1105 WeakPolarHBondContact O-CG 3.37Å; E1101-L1105 PolarHBondContact O-N 3.48Å; G1102-L1105 PolarHBondContact O-N 2.87Å; L1105-R1109 WeakPolarHBondContact O-CD 3.48Å
1106	T	91.9	Very high	91.5	Very high	50 Å²	50	70.9 Å²	70.9	31%	0.307	39%	0.394	S	S	.	.	H	α-helix	trans	-80.8	-39.9	178.9	-57.9	0	0	0	0	112.1	L1046 A1049 G1102 D1103 L1104 R1109	L1046-T1106 WeakPolarHBondContact CD2-O 3.5Å; A1049-T1106 HydrophobicContact CB-CG2 3.34Å; G1102-T1106 WeakPolarHBondContact O-CB 3.4Å; G1102-T1106 PolarHBondContact O-N 3.43Å; G1102-T1106 PolarHBondContact O-OG1 2.93Å; D1103-T1106 PolarHBondContact O-N 3.35Å; L1104-T1106 PolarHBondContact O-N 3.09Å; T1106-R1109 WeakPolarHBondContact O-CG 3.46Å
1107	K	90.4	Very high	91.3	Very high	84 Å²	84	69.4 Å²	69.4	37%	0.365	39%	0.387	S	S	.	.	H	α-helix	trans	-86.6	-28.1	-178.9	71.3	-158.7	178.3	-152.4	0	114.4	D1103 L1104 R1109 C1112	D1103-K1107 WeakPolarHBondContact O-CG 3.49Å; D1103-K1107 PolarHBondContact O-N 3.11Å; D1103-K1107 IonicContact OD2-NZ 2.7Å; D1103-K1107 PolarHBondContact OD2-NZ 3.34Å; L1104-K1107 PolarHBondContact O-N 2.85Å; K1107-R1109 PolarHBondContact O-N 3.43Å; K1107-C1112 PolarHBondContact O-SG 3.38Å; K1107-C1112 VanDerWaalsContact O-SG 3.39Å
1108	E	92.3	Very high	91	Very high	132 Å²	132	69 Å²	69	62%	0.617	38%	0.377	S	S	*	.			trans	-89.9	84.8	-178.4	-63.3	-171	165.1	0	0	110.8	L1104	L1104-E1108 HydrophobicContact CD1-CG 4.11Å; L1104-E1108 VanDerWaalsContact CD1-OE1 3.24Å; L1104-E1108 WeakPolarHBondContact CD1-OE1 3.14Å; L1104-E1108 WeakPolarHBondContact O-CB 3.31Å; L1104-E1108 PolarHBondContact O-N 2.96Å
1109	R	92	Very high	90.8	Very high	40 Å²	40	67.3 Å²	67.3	15%	0.151	37%	0.372	C	S	.	.			trans	-114.2	156.6	178.1	-47.2	-56.4	-68.9	-105.6	-12.1	110	Y947 E1042 D1045 L1046 L1105 T1106 K1107 C1111 C1112	Y947-R1109 VanDerWaalsContact OH-CZ 3.29Å; Y947-R1109 PolarHBondContact OH-NE 2.7Å; Y947-R1109 PolarHBondContact OH-NH2 3.44Å; E1042-R1109 HydrophobicContact CB-CB 3.94Å; E1042-R1109 HydrophobicContact CB-CG 4.47Å; E1042-R1109 HydrophobicContact CG-CB 3.97Å; D1045-R1109 IonicContact OD2-CZ 2.81Å; D1045-R1109 VanDerWaalsContact OD2-CZ 3.22Å; D1045-R1109 IonicContact OD2-NH1 2.85Å; D1045-R1109 PolarHBondContact OD2-NH1 3.14Å; D1045-R1109 IonicContact OD2-NH2 3.37Å; D1045-R1109 PolarHBondContact OD2-NH2 2.83Å; L1046-R1109 HydrophobicContact CD1-CB 4.36Å; L1046-R1109 HydrophobicContact CD1-CG 4.25Å; L1046-R1109 HydrophobicContact CD2-CG 4Å; L1046-R1109 HydrophobicContact CG-CG 4.05Å; L1105-R1109 WeakPolarHBondContact O-CD 3.48Å; T1106-R1109 WeakPolarHBondContact O-CG 3.46Å; K1107-R1109 PolarHBondContact O-N 3.43Å; R1109-C1111 VanDerWaalsContact C-N 3.32Å; R1109-C1111 PolarHBondContact O-N 2.8Å; R1109-C1112 VanDerWaalsContact O-CB 3.28Å; R1109-C1112 WeakPolarHBondContact O-CB 3.25Å; R1109-C1112 PolarHBondContact O-N 2.93Å; R1109-C1112 VanDerWaalsContact O-N 3.11Å
1110	L	90.6	Very high	90.8	Very high	46 Å²	46	67.3 Å²	67.3	24%	0.241	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-61	-41.4	-175.4	-60	179.9	0	0	0	111.5	Y947 L1038 E1042 C1112 G1113 L1114 M1116	Y947-L1110 HydrophobicContact CD1-CD1 4.32Å; Y947-L1110 HydrophobicContact CE1-CD1 4.04Å; Y947-L1110 HydrophobicContact CE1-CG 4.09Å; L1038-L1110 HydrophobicContact CD2-CD1 3.79Å; E1042-L1110 WeakPolarHBondContact OE1-CB 3.47Å; E1042-L1110 PolarHBondContact OE1-N 2.83Å; E1042-L1110 PolarHBondContact OE2-N 3.42Å; L1110-C1112 PolarHBondContact O-N 2.93Å; L1110-G1113 PolarHBondContact O-N 3.3Å; L1110-G1113 VanDerWaalsContact O-N 3.09Å; L1110-L1114 HydrophobicContact CB-CB 4.48Å; L1110-L1114 HydrophobicContact CD2-CB 4.25Å; L1110-L1114 HydrophobicContact CD2-CD1 3.79Å; L1110-L1114 PolarHBondContact O-N 3.04Å; L1110-M1116 HydrophobicContact CD1-CE 3.93Å; L1110-M1116 HydrophobicContact CD1-CG 4.42Å; L1110-M1116 HydrophobicContact CD1-SD 3.92Å
1111	C	90.7	Very high	90.7	Very high	47 Å²	47	60.7 Å²	60.7	32%	0.318	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-57.8	-12.7	177.5	73.9	0	0	0	0	115.2	E1042 L1046 R1109 G1113	E1042-C1111 HydrophobicContact CB-CB 4.2Å; E1042-C1111 VanDerWaalsContact CB-SG 3.53Å; E1042-C1111 WeakPolarHBondContact OE2-CB 3.29Å; E1042-C1111 PolarHBondContact OE2-N 2.85Å; L1046-C1111 VanDerWaalsContact CD1-SG 3.59Å; R1109-C1111 VanDerWaalsContact C-N 3.32Å; R1109-C1111 PolarHBondContact O-N 2.8Å; C1111-G1113 VanDerWaalsContact C-N 3.3Å
1112	C	88.7	Confident	90.6	Very high	82 Å²	82	57.5 Å²	57.5	55%	0.554	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-72.7	-18.3	176.1	-64.6	0	0	0	0	113.5	K1107 R1109 L1110	K1107-C1112 PolarHBondContact O-SG 3.38Å; K1107-C1112 VanDerWaalsContact O-SG 3.39Å; R1109-C1112 VanDerWaalsContact O-CB 3.28Å; R1109-C1112 WeakPolarHBondContact O-CB 3.25Å; R1109-C1112 PolarHBondContact O-N 2.93Å; R1109-C1112 VanDerWaalsContact O-N 3.11Å; L1110-C1112 PolarHBondContact O-N 2.93Å
1113	G	85.7	Confident	90.6	Very high	70 Å²	70	59.9 Å²	59.9	72%	0.722	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	168.8	11	178.5	0	0	0	0	0	117.5	L1110 C1111	L1110-G1113 PolarHBondContact O-N 3.3Å; L1110-G1113 VanDerWaalsContact O-N 3.09Å; C1111-G1113 VanDerWaalsContact C-N 3.3Å
1114	L	88.1	Confident	90.7	Very high	123 Å²	123	58.7 Å²	58.7	64%	0.644	33%	0.327	S	S	*	.			trans	-115.8	148.5	-179.1	-60.8	174	0	0	0	110.5	L1110	L1110-L1114 HydrophobicContact CB-CB 4.48Å; L1110-L1114 HydrophobicContact CD2-CB 4.25Å; L1110-L1114 HydrophobicContact CD2-CD1 3.79Å; L1110-L1114 PolarHBondContact O-N 3.04Å
1115	S	85.9	Confident	90.7	Very high	38 Å²	38	61.3 Å²	61.3	27%	0.266	33%	0.332	S	S	.	.			trans	-131.3	143.9	171.1	93.8	0	0	0	0	110.9	E1035 E1118	E1035-S1115 VanDerWaalsContact OE1-CA 3.24Å; E1035-S1115 WeakPolarHBondContact OE1-CA 3.36Å; E1035-S1115 WeakPolarHBondContact OE1-CB 3.34Å; S1115-E1118 PolarHBondContact OG-OE2 3.04Å
1116	M	89.4	Confident	90.8	Very high	42 Å²	42	57.7 Å²	57.7	21%	0.207	32%	0.318	C	S	.	.	S	Bend	trans	-96.5	-37.9	-179.2	-64.8	-176.9	-74.1	0	0	111.5	M954 E1035 L1038 L1110 E1118 V1119 I1120	M954-M1116 HydrophobicContact CE-CB 4.37Å; M954-M1116 HydrophobicContact CE-CE 3.7Å; M954-M1116 HydrophobicContact CE-SD 3.99Å; M954-M1116 HydrophobicContact SD-CB 4.28Å; M954-M1116 HydrophobicContact SD-CE 4.43Å; M954-M1116 HydrophobicContact SD-SD 3.92Å; E1035-M1116 HydrophobicContact CB-CE 3.9Å; E1035-M1116 VanDerWaalsContact CD-N 3.31Å; E1035-M1116 HydrophobicContact CG-CE 3.82Å; E1035-M1116 PolarHBondContact OE1-N 3.05Å; E1035-M1116 WeakPolarHBondContact OE2-CB 2.98Å; E1035-M1116 PolarHBondContact OE2-N 2.73Å; L1038-M1116 HydrophobicContact CD2-CE 3.83Å; L1110-M1116 HydrophobicContact CD1-CE 3.93Å; L1110-M1116 HydrophobicContact CD1-CG 4.42Å; L1110-M1116 HydrophobicContact CD1-SD 3.92Å; M1116-E1118 VanDerWaalsContact C-N 3.27Å; M1116-E1118 PolarHBondContact O-N 3.19Å; M1116-V1119 WeakPolarHBondContact O-CA 3.49Å; M1116-V1119 WeakPolarHBondContact O-CB 3.19Å; M1116-V1119 PolarHBondContact O-N 3.06Å; M1116-I1120 WeakPolarHBondContact O-CG1 3.16Å; M1116-I1120 PolarHBondContact O-N 3.32Å
1117	F	90.9	Very high	91	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.6	-35.7	-173.4	-168	-117.6	0	0	0	113.5	I1028 L1032 E1035 I1120 L1121 W1183 L1246 Y1249	I1028-F1117 HydrophobicContact CG2-CE2 3.68Å; I1028-F1117 HydrophobicContact CG2-CZ 3.76Å; I1028-F1117 WeakPolarHBondContact O-CE2 3.43Å; L1032-F1117 HydrophobicContact CB-CD2 3.86Å; L1032-F1117 HydrophobicContact CB-CE2 3.69Å; L1032-F1117 HydrophobicContact CB-CG 4.49Å; L1032-F1117 HydrophobicContact CB-CZ 4.18Å; L1032-F1117 HydrophobicContact CD1-CD1 3.99Å; L1032-F1117 HydrophobicContact CD1-CD2 4.23Å; L1032-F1117 HydrophobicContact CD1-CE1 4.19Å; L1032-F1117 HydrophobicContact CD1-CE2 4.45Å; L1032-F1117 HydrophobicContact CD1-CG 4Å; L1032-F1117 HydrophobicContact CD1-CZ 4.43Å; L1032-F1117 HydrophobicContact CD2-CZ 4.34Å; L1032-F1117 HydrophobicContact CG-CE2 4.48Å; E1035-F1117 VanDerWaalsContact OE2-CB 3.27Å; E1035-F1117 WeakPolarHBondContact OE2-CB 3.44Å; E1035-F1117 PolarHBondContact OE2-N 3.36Å; F1117-I1120 PolarHBondContact O-N 2.83Å; F1117-L1121 HydrophobicContact CD1-CD1 3.89Å; F1117-L1121 HydrophobicContact CD1-CG 4.3Å; F1117-L1121 HydrophobicContact CE1-CD1 3.63Å; F1117-L1121 HydrophobicContact CE1-CD2 4.43Å; F1117-L1121 HydrophobicContact CE1-CG 4.08Å; F1117-L1121 HydrophobicContact CZ-CD1 4.18Å; F1117-L1121 HydrophobicContact CZ-CD2 4.14Å; F1117-L1121 HydrophobicContact CZ-CG 4.2Å; F1117-L1121 WeakPolarHBondContact O-CB 3.2Å; F1117-L1121 WeakPolarHBondContact O-CG 3.31Å; F1117-L1121 PolarHBondContact O-N 2.86Å; F1117-W1183 HydrophobicContact CZ-CZ3 4.25Å; F1117-L1246 HydrophobicContact CE1-CD2 4.23Å; F1117-L1246 HydrophobicContact CZ-CD2 4.22Å; F1117-Y1249 HydrophobicContact CB-CD1 4.24Å; F1117-Y1249 HydrophobicContact CB-CE1 4.31Å; F1117-Y1249 HydrophobicContact CD1-CD1 4.01Å; F1117-Y1249 AromaticContact CD1-CD2 3.67Å; F1117-Y1249 HydrophobicContact CD1-CD2 3.67Å; F1117-Y1249 HydrophobicContact CD1-CE1 4.38Å; F1117-Y1249 HydrophobicContact CD1-CE2 4.09Å; F1117-Y1249 AromaticContact CD1-CG 3.62Å; F1117-Y1249 HydrophobicContact CD1-CG 3.62Å; F1117-Y1249 HydrophobicContact CE1-CD2 4.03Å; F1117-Y1249 HydrophobicContact CE1-CG 4.34Å
1118	E	88.4	Confident	91.2	Very high	36 Å²	36	52.4 Å²	52.4	17%	0.168	29%	0.29	C	S	.	.	H	α-helix	trans	-57.7	-44.8	171.2	173	173.4	-143.2	0	0	112.8	S1115 M1116 T1122 S1252 V1253	S1115-E1118 PolarHBondContact OG-OE2 3.04Å; M1116-E1118 VanDerWaalsContact C-N 3.27Å; M1116-E1118 PolarHBondContact O-N 3.19Å; E1118-T1122 VanDerWaalsContact O-CB 3.32Å; E1118-T1122 WeakPolarHBondContact O-CB 3.1Å; E1118-T1122 PolarHBondContact O-N 3.37Å; E1118-T1122 PolarHBondContact O-OG1 2.79Å; E1118-S1252 WeakPolarHBondContact OE1-CB 3.27Å; E1118-S1252 PolarHBondContact OE1-OG 2.84Å; E1118-S1252 PolarHBondContact OE2-OG 2.73Å; E1118-V1253 HydrophobicContact CG-CG2 3.69Å; E1118-V1253 WeakPolarHBondContact OE1-CG2 3.11Å; E1118-V1253 PolarHBondContact OE1-N 3.23Å
1119	V	90.8	Very high	91.1	Very high	79 Å²	79	51.8 Å²	51.8	48%	0.479	29%	0.288	S	S	.	.	H	α-helix	trans	-68.5	-40.7	177.3	-175.7	0	0	0	0	110.7	M1116 T1122 R1123	M1116-V1119 WeakPolarHBondContact O-CA 3.49Å; M1116-V1119 WeakPolarHBondContact O-CB 3.19Å; M1116-V1119 PolarHBondContact O-N 3.06Å; V1119-T1122 PolarHBondContact O-N 3.35Å; V1119-R1123 WeakPolarHBondContact O-CB 3.5Å; V1119-R1123 WeakPolarHBondContact O-CG 3.21Å; V1119-R1123 PolarHBondContact O-N 3.28Å
1120	I	92.3	Very high	91.2	Very high	13 Å²	13	51.9 Å²	51.9	7%	0.067	29%	0.291	C	S	.	.	H	α-helix	trans	-58.5	-52.9	174.5	-61.6	-56.2	0	0	0	110.4	M954 L958 C1031 M1116 F1117 T1122 R1123 I1124	M954-I1120 HydrophobicContact CB-CD1 4.29Å; M954-I1120 HydrophobicContact SD-CD1 4.15Å; M954-I1120 HydrophobicContact SD-CG1 4.46Å; L958-I1120 HydrophobicContact CD1-CD1 3.72Å; L958-I1120 HydrophobicContact CD2-CD1 4.44Å; L958-I1120 HydrophobicContact CD2-CG2 4.05Å; L958-I1120 HydrophobicContact CG-CD1 4.08Å; C1031-I1120 HydrophobicContact CB-CG1 4.37Å; C1031-I1120 HydrophobicContact CB-CG2 4.34Å; M1116-I1120 WeakPolarHBondContact O-CG1 3.16Å; M1116-I1120 PolarHBondContact O-N 3.32Å; F1117-I1120 PolarHBondContact O-N 2.83Å; I1120-T1122 VanDerWaalsContact C-N 3.35Å; I1120-T1122 PolarHBondContact O-N 3.18Å; I1120-R1123 PolarHBondContact O-N 3.03Å; I1120-I1124 HydrophobicContact CG2-CD1 3.87Å; I1120-I1124 WeakPolarHBondContact O-CG1 3.42Å; I1120-I1124 PolarHBondContact O-N 3.45Å
1121	L	92.8	Very high	91.3	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-60.2	-42.9	178.6	-72.7	-179.4	0	0	0	112.2	F1117 R1123 I1124 R1125 L1191 L1246 M1250	F1117-L1121 HydrophobicContact CD1-CD1 3.89Å; F1117-L1121 HydrophobicContact CD1-CG 4.3Å; F1117-L1121 HydrophobicContact CE1-CD1 3.63Å; F1117-L1121 HydrophobicContact CE1-CD2 4.43Å; F1117-L1121 HydrophobicContact CE1-CG 4.08Å; F1117-L1121 HydrophobicContact CZ-CD1 4.18Å; F1117-L1121 HydrophobicContact CZ-CD2 4.14Å; F1117-L1121 HydrophobicContact CZ-CG 4.2Å; F1117-L1121 WeakPolarHBondContact O-CB 3.2Å; F1117-L1121 WeakPolarHBondContact O-CG 3.31Å; F1117-L1121 PolarHBondContact O-N 2.86Å; L1121-R1123 VanDerWaalsContact C-N 3.33Å; L1121-R1123 PolarHBondContact O-N 2.9Å; L1121-I1124 PolarHBondContact O-N 3.45Å; L1121-R1125 PolarHBondContact O-N 2.98Å; L1121-L1191 HydrophobicContact CB-CD2 4.12Å; L1121-L1246 HydrophobicContact CD1-CD2 3.89Å; L1121-L1246 HydrophobicContact CD2-CD2 3.81Å; L1121-M1250 HydrophobicContact CB-SD 3.76Å; L1121-M1250 HydrophobicContact CD1-CG 4.25Å; L1121-M1250 HydrophobicContact CD1-SD 4.09Å
1122	T	91.4	Very high	91.4	Very high	60 Å²	60	53.8 Å²	53.8	37%	0.368	30%	0.303	S	S	.	.	H	α-helix	trans	-62.2	-39.2	177	-61.2	0	0	0	0	112	E1118 V1119 I1120 R1125 S1126	E1118-T1122 VanDerWaalsContact O-CB 3.32Å; E1118-T1122 WeakPolarHBondContact O-CB 3.1Å; E1118-T1122 PolarHBondContact O-N 3.37Å; E1118-T1122 PolarHBondContact O-OG1 2.79Å; V1119-T1122 PolarHBondContact O-N 3.35Å; I1120-T1122 VanDerWaalsContact C-N 3.35Å; I1120-T1122 PolarHBondContact O-N 3.18Å; T1122-R1125 WeakPolarHBondContact O-CB 3.35Å; T1122-R1125 PolarHBondContact O-N 2.79Å; T1122-S1126 PolarHBondContact O-N 3.48Å
1123	R	93.4	Very high	91.6	Very high	82 Å²	82	49.9 Å²	49.9	31%	0.309	28%	0.277	S	S	.	.	H	α-helix	trans	-69.7	-38.6	173.8	-73.9	179.2	66.9	178.6	-6.8	112.3	E955 L958 V1119 I1120 L1121 R1125 S1126 Y1127	E955-R1123 VanDerWaalsContact CD-NH1 3.29Å; E955-R1123 IonicContact OE1-CZ 3.75Å; E955-R1123 IonicContact OE1-NH1 3.82Å; E955-R1123 PolarHBondContact OE1-NH1 2.93Å; E955-R1123 IonicContact OE1-NH2 2.84Å; E955-R1123 IonicContact OE2-CZ 2.73Å; E955-R1123 IonicContact OE2-NH1 2.94Å; E955-R1123 PolarHBondContact OE2-NH1 2.9Å; E955-R1123 IonicContact OE2-NH2 2.69Å; E955-R1123 PolarHBondContact OE2-NH2 3.38Å; L958-R1123 HydrophobicContact CD1-CB 4.33Å; L958-R1123 HydrophobicContact CD2-CB 4.29Å; V1119-R1123 WeakPolarHBondContact O-CB 3.5Å; V1119-R1123 WeakPolarHBondContact O-CG 3.21Å; V1119-R1123 PolarHBondContact O-N 3.28Å; I1120-R1123 PolarHBondContact O-N 3.03Å; L1121-R1123 VanDerWaalsContact C-N 3.33Å; L1121-R1123 PolarHBondContact O-N 2.9Å; R1123-R1125 VanDerWaalsContact C-N 3.31Å; R1123-R1125 PolarHBondContact O-N 3.35Å; R1123-S1126 VanDerWaalsContact O-CB 3.29Å; R1123-S1126 WeakPolarHBondContact O-CB 3.33Å; R1123-S1126 PolarHBondContact O-N 3.13Å; R1123-S1126 PolarHBondContact O-OG 3.24Å; R1123-Y1127 WeakPolarHBondContact O-CE1 3.43Å
1124	I	94.4	Very high	91.9	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.015	26%	0.259	C	S	.	.	H	α-helix	trans	-63	-38.7	174.8	-65.9	169.1	0	0	0	111	L958 V961 L965 I1028 I1120 L1121 S1126 Y1127 L1191	L958-I1124 HydrophobicContact CD2-CD1 4.27Å; L958-I1124 HydrophobicContact CD2-CG1 3.74Å; V961-I1124 HydrophobicContact CG1-CD1 4.12Å; V961-I1124 HydrophobicContact CG1-CG1 3.97Å; V961-I1124 HydrophobicContact CG1-CG2 4.29Å; L965-I1124 HydrophobicContact CD1-CG2 3.77Å; I1028-I1124 HydrophobicContact CD1-CD1 4.07Å; I1028-I1124 HydrophobicContact CG1-CD1 3.76Å; I1120-I1124 HydrophobicContact CG2-CD1 3.87Å; I1120-I1124 WeakPolarHBondContact O-CG1 3.42Å; I1120-I1124 PolarHBondContact O-N 3.45Å; L1121-I1124 PolarHBondContact O-N 3.45Å; I1124-S1126 PolarHBondContact O-N 3.31Å; I1124-Y1127 HydrophobicContact CG1-CE2 4.32Å; I1124-Y1127 WeakPolarHBondContact O-CB 3.44Å; I1124-Y1127 PolarHBondContact O-N 3.1Å; I1124-L1191 HydrophobicContact CB-CD1 3.98Å; I1124-L1191 HydrophobicContact CG2-CD1 3.64Å
1125	R	93.5	Very high	92	Very high	127 Å²	127	46.1 Å²	46.1	48%	0.479	24%	0.239	S	C	.	.	H	α-helix	trans	-55.4	-36.2	172.2	-166.6	176.2	-170.4	-159.3	-0.4	112.2	L1121 T1122 R1123 Y1127 L1128 L1191	L1121-R1125 PolarHBondContact O-N 2.98Å; T1122-R1125 WeakPolarHBondContact O-CB 3.35Å; T1122-R1125 PolarHBondContact O-N 2.79Å; R1123-R1125 VanDerWaalsContact C-N 3.31Å; R1123-R1125 PolarHBondContact O-N 3.35Å; R1125-Y1127 PolarHBondContact O-N 3.43Å; R1125-L1128 PolarHBondContact O-N 2.87Å; R1125-L1191 HydrophobicContact CB-CB 4.16Å; R1125-L1191 HydrophobicContact CB-CD2 4.17Å; R1125-L1191 HydrophobicContact CB-CG 4.49Å; R1125-L1191 HydrophobicContact CG-CB 4.11Å; R1125-L1191 PolarHBondContact NE-O 3.43Å
1126	S	94	Very high	92.3	Very high	57 Å²	57	47.8 Å²	47.8	40%	0.399	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-17.3	178.1	85.7	0	0	0	0	113.9	T1122 R1123 I1124 Q1129	T1122-S1126 PolarHBondContact O-N 3.48Å; R1123-S1126 VanDerWaalsContact O-CB 3.29Å; R1123-S1126 WeakPolarHBondContact O-CB 3.33Å; R1123-S1126 PolarHBondContact O-N 3.13Å; R1123-S1126 PolarHBondContact O-OG 3.24Å; I1124-S1126 PolarHBondContact O-N 3.31Å; S1126-Q1129 VanDerWaalsContact O-CG 3.25Å; S1126-Q1129 WeakPolarHBondContact O-CG 3.45Å; S1126-Q1129 PolarHBondContact O-NE2 3.2Å; S1126-Q1129 VanDerWaalsContact O-NE2 3.14Å
1127	Y	95.1	Very high	92.2	Very high	22 Å²	22	51.3 Å²	51.3	9%	0.086	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-21	179.2	-51.4	-26.8	0	0	0	112.7	L958 K962 Q966 R1123 I1124 R1125 Q1129	L958-Y1127 HydrophobicContact CD2-CE2 4.2Å; K962-Y1127 HydrophobicContact CB-CD1 4.27Å; K962-Y1127 HydrophobicContact CB-CD2 3.71Å; K962-Y1127 HydrophobicContact CB-CE1 4.27Å; K962-Y1127 HydrophobicContact CB-CE2 3.7Å; K962-Y1127 HydrophobicContact CB-CG 4.03Å; K962-Y1127 HydrophobicContact CD-CD1 4.08Å; K962-Y1127 HydrophobicContact CD-CE1 3.96Å; K962-Y1127 HydrophobicContact CG-CD1 3.87Å; K962-Y1127 HydrophobicContact CG-CD2 4.14Å; K962-Y1127 HydrophobicContact CG-CE1 4.11Å; K962-Y1127 HydrophobicContact CG-CE2 4.36Å; K962-Y1127 HydrophobicContact CG-CG 3.92Å; Q966-Y1127 PolarHBondContact NE2-O 3Å; R1123-Y1127 WeakPolarHBondContact O-CE1 3.43Å; I1124-Y1127 HydrophobicContact CG1-CE2 4.32Å; I1124-Y1127 WeakPolarHBondContact O-CB 3.44Å; I1124-Y1127 PolarHBondContact O-N 3.1Å; R1125-Y1127 PolarHBondContact O-N 3.43Å; Y1127-Q1129 VanDerWaalsContact C-N 3.32Å; Y1127-Q1129 PolarHBondContact O-N 3.18Å
1128	L	93.9	Very high	92.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.284	C	S	.	.			trans	-89.8	50.9	-176.8	-57.2	172.6	0	0	0	112.5	L965 R1125 W1133 R1134 I1188 L1191 L1192	L965-L1128 HydrophobicContact CD1-CD2 4.28Å; L965-L1128 HydrophobicContact CD2-CD2 4.33Å; R1125-L1128 PolarHBondContact O-N 2.87Å; L1128-W1133 HydrophobicContact CB-CG 4.42Å; L1128-W1133 HydrophobicContact CD2-CD2 3.91Å; L1128-W1133 HydrophobicContact CD2-CE3 4.28Å; L1128-W1133 HydrophobicContact CD2-CG 4.4Å; L1128-W1133 HydrophobicContact CD2-CH2 4.24Å; L1128-W1133 HydrophobicContact CD2-CZ2 3.87Å; L1128-W1133 HydrophobicContact CD2-CZ3 4.42Å; L1128-R1134 PolarHBondContact O-NH1 2.9Å; L1128-R1134 PolarHBondContact O-NH2 2.93Å; L1128-R1134 VanDerWaalsContact O-NH2 3.16Å; L1128-I1188 HydrophobicContact CD1-CG2 4.11Å; L1128-I1188 HydrophobicContact CD2-CG2 4.42Å; L1128-L1191 HydrophobicContact CD1-CB 4.19Å; L1128-L1192 HydrophobicContact CB-CD2 4.08Å; L1128-L1192 HydrophobicContact CD1-CD2 4.36Å; L1128-L1192 HydrophobicContact CD1-CG 4.23Å
1129	Q	91.6	Very high	92.2	Very high	120 Å²	120	56.6 Å²	56.6	56%	0.561	31%	0.311	S	S	*	.			trans	-90.4	-20.4	-178.4	-56.6	-57.6	-16	0	0	114.5	S1126 Y1127	S1126-Q1129 VanDerWaalsContact O-CG 3.25Å; S1126-Q1129 WeakPolarHBondContact O-CG 3.45Å; S1126-Q1129 PolarHBondContact O-NE2 3.2Å; S1126-Q1129 VanDerWaalsContact O-NE2 3.14Å; Y1127-Q1129 VanDerWaalsContact C-N 3.32Å; Y1127-Q1129 PolarHBondContact O-N 3.18Å
1130	D	93.2	Very high	92.1	Very high	41 Å²	41	56.7 Å²	56.7	22%	0.219	31%	0.309	C	S	.	.	S	Bend	trans	-57.7	134.2	179.8	-166.5	-68.8	0	0	0	110.5	L970 K974 I1132 W1133	L970-D1130 HydrophobicContact CD1-CB 3.87Å; L970-D1130 HydrophobicContact CD2-CB 4.28Å; K974-D1130 WeakPolarHBondContact CE-OD1 3.4Å; K974-D1130 VanDerWaalsContact CE-OD2 3.24Å; K974-D1130 WeakPolarHBondContact CE-OD2 3.38Å; K974-D1130 IonicContact NZ-OD1 3.28Å; K974-D1130 IonicContact NZ-OD2 3.93Å; K974-D1130 PolarHBondContact NZ-OD2 3.28Å; D1130-I1132 HydrophobicContact CB-CG2 4.29Å; D1130-I1132 PolarHBondContact O-N 3.4Å; D1130-I1132 VanDerWaalsContact O-N 3.12Å; D1130-I1132 WeakPolarHBondContact OD1-CB 3.33Å; D1130-I1132 WeakPolarHBondContact OD1-CG2 3.41Å; D1130-I1132 PolarHBondContact OD1-N 3.46Å; D1130-W1133 PolarHBondContact O-N 2.64Å
1131	P	92.3	Very high	91.9	Very high	98 Å²	98	57.2 Å²	57.2	64%	0.636	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-58.7	-26.1	-177.5	22.8	-34.7	0	0	0	113.2	W1133 R1134 G1135	P1131-W1133 PolarHBondContact O-N 2.89Å; P1131-W1133 VanDerWaalsContact O-N 3.12Å; P1131-R1134 PolarHBondContact O-N 3.28Å; P1131-R1134 VanDerWaalsContact O-N 3.08Å; P1131-G1135 PolarHBondContact O-N 3.08Å
1132	I	92.7	Very high	91.7	Very high	35 Å²	35	60.9 Å²	60.9	18%	0.179	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-57.9	-29.9	-178.7	-159.2	70.3	0	0	0	113.1	L970 V973 K974 I977 D1130 R1134	L970-I1132 HydrophobicContact CD1-CG2 3.61Å; V973-I1132 HydrophobicContact CG1-CG2 4.35Å; K974-I1132 HydrophobicContact CG-CB 4.19Å; K974-I1132 HydrophobicContact CG-CD1 4.46Å; K974-I1132 HydrophobicContact CG-CG1 3.9Å; K974-I1132 HydrophobicContact CG-CG2 4.02Å; I977-I1132 HydrophobicContact CB-CD1 4.42Å; I977-I1132 HydrophobicContact CD1-CD1 4.24Å; I977-I1132 HydrophobicContact CD1-CG1 3.74Å; I977-I1132 HydrophobicContact CG2-CD1 4.04Å; D1130-I1132 HydrophobicContact CB-CG2 4.29Å; D1130-I1132 PolarHBondContact O-N 3.4Å; D1130-I1132 VanDerWaalsContact O-N 3.12Å; D1130-I1132 WeakPolarHBondContact OD1-CB 3.33Å; D1130-I1132 WeakPolarHBondContact OD1-CG2 3.41Å; D1130-I1132 PolarHBondContact OD1-N 3.46Å; I1132-R1134 VanDerWaalsContact C-N 3.3Å; I1132-R1134 PolarHBondContact O-N 3.45Å
1133	W	93.4	Very high	91.7	Very high	1 Å²	1	60.7 Å²	60.7	0%	0.004	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-65	-34.3	179.7	-63.2	114	0	0	0	112.8	L965 I969 L970 V973 L1128 D1130 P1131 F1151 I1188 L1192 Q1194	L965-W1133 WeakPolarHBondContact O-CZ2 3.41Å; I969-W1133 HydrophobicContact CG2-CH2 4.06Å; L970-W1133 HydrophobicContact CB-CZ2 4.38Å; L970-W1133 HydrophobicContact CD1-CZ2 3.83Å; V973-W1133 HydrophobicContact CB-CH2 4.33Å; V973-W1133 HydrophobicContact CB-CZ3 4.36Å; V973-W1133 HydrophobicContact CG1-CE3 4.28Å; V973-W1133 HydrophobicContact CG1-CH2 4.4Å; V973-W1133 HydrophobicContact CG1-CZ3 4.04Å; V973-W1133 HydrophobicContact CG2-CH2 3.94Å; V973-W1133 HydrophobicContact CG2-CZ3 3.88Å; L1128-W1133 HydrophobicContact CB-CG 4.42Å; L1128-W1133 HydrophobicContact CD2-CD2 3.91Å; L1128-W1133 HydrophobicContact CD2-CE3 4.28Å; L1128-W1133 HydrophobicContact CD2-CG 4.4Å; L1128-W1133 HydrophobicContact CD2-CH2 4.24Å; L1128-W1133 HydrophobicContact CD2-CZ2 3.87Å; L1128-W1133 HydrophobicContact CD2-CZ3 4.42Å; D1130-W1133 PolarHBondContact O-N 2.64Å; P1131-W1133 PolarHBondContact O-N 2.89Å; P1131-W1133 VanDerWaalsContact O-N 3.12Å; W1133-F1151 HydrophobicContact CE3-CB 4.12Å; W1133-F1151 AromaticContact CE3-CD2 3.77Å; W1133-F1151 HydrophobicContact CE3-CD2 3.77Å; W1133-F1151 HydrophobicContact CE3-CE2 4.45Å; W1133-F1151 AromaticContact CE3-CG 3.99Å; W1133-F1151 HydrophobicContact CE3-CG 3.99Å; W1133-F1151 AromaticContact CZ3-CD2 3.53Å; W1133-F1151 HydrophobicContact CZ3-CD2 3.53Å; W1133-F1151 AromaticContact CZ3-CE2 3.79Å; W1133-F1151 HydrophobicContact CZ3-CE2 3.79Å; W1133-F1151 HydrophobicContact CZ3-CG 4.13Å; W1133-F1151 PolarHBondContact O-N 2.93Å; W1133-I1188 HydrophobicContact CE3-CG2 3.98Å; W1133-I1188 HydrophobicContact CZ3-CD1 4.47Å; W1133-I1188 HydrophobicContact CZ3-CG2 3.98Å; W1133-L1192 HydrophobicContact CB-CD1 3.85Å; W1133-L1192 HydrophobicContact CB-CD2 3.72Å; W1133-L1192 HydrophobicContact CB-CG 4.45Å; W1133-L1192 HydrophobicContact CE3-CD1 4.41Å; W1133-Q1194 PolarHBondContact O-NE2 3.42Å
1134	R	92.2	Very high	91.6	Very high	90 Å²	90	57.3 Å²	57.3	34%	0.34	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-20.1	-175.8	-64.5	177.3	-172.6	72.6	3.4	113.4	L1128 P1131 I1132 L1192	L1128-R1134 PolarHBondContact O-NH1 2.9Å; L1128-R1134 PolarHBondContact O-NH2 2.93Å; L1128-R1134 VanDerWaalsContact O-NH2 3.16Å; P1131-R1134 PolarHBondContact O-N 3.28Å; P1131-R1134 VanDerWaalsContact O-N 3.08Å; I1132-R1134 VanDerWaalsContact C-N 3.3Å; I1132-R1134 PolarHBondContact O-N 3.45Å; R1134-L1192 HydrophobicContact CG-CD2 4.13Å
1135	G	90.2	Very high	91.4	Very high	23 Å²	23	59.7 Å²	59.7	24%	0.237	34%	0.338	C	S	.	.			trans	72.2	-178.9	-173.7	0	0	0	0	0	113.7	P1131 V1149	P1131-G1135 PolarHBondContact O-N 3.08Å; G1135-V1149 WeakPolarHBondContact CA-O 3.45Å
1136	P	91.4	Very high	91.4	Very high	74 Å²	74	55.6 Å²	55.6	48%	0.481	33%	0.325	S	S	.	.	S	Bend	trans	-66.4	167.3	172.4	30.5	-35.6	0	0	0	111.7	H1144 V1149	P1136-H1144 PolarHBondContact O-CE1 2.95Å; P1136-H1144 PolarHBondContact O-NE2 2.99Å; P1136-V1149 HydrophobicContact CG-CB 4.41Å; P1136-V1149 HydrophobicContact CG-CG2 4.17Å
1137	P	88.6	Confident	91.3	Very high	116 Å²	116	54.6 Å²	54.6	75%	0.753	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-60.7	147.1	170	26.3	-34.7	0	0	0	111.8
1138	P	90.1	Very high	91.2	Very high	29 Å²	29	53.7 Å²	53.7	19%	0.188	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-72.2	140.4	-175.7	29.5	-35.9	0	0	0	113.1	N1140 G1141 H1144	P1138-N1140 VanDerWaalsContact C-N 3.31Å; P1138-N1140 PolarHBondContact O-N 3.41Å; P1138-G1141 PolarHBondContact O-N 2.92Å; P1138-H1144 VanDerWaalsContact CA-CE1 3.45Å; P1138-H1144 WeakPolarHBondContact CA-CE1 3.47Å
1139	T	88.3	Confident	91.1	Very high	118 Å²	118	55.5 Å²	55.5	72%	0.724	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-38.5	-176.8	54.9	0	0	0	0	113.2	G1141 E1147	T1139-G1141 VanDerWaalsContact C-N 3.26Å; T1139-G1141 PolarHBondContact O-N 2.94Å; T1139-E1147 PolarHBondContact OG1-OE1 2.96Å
1140	N	89.9	Confident	91.3	Very high	81 Å²	81	50.2 Å²	50.2	43%	0.433	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	0.1	176.3	62.9	24.6	0	0	0	114.1	P1138 V1142 M1143	P1138-N1140 VanDerWaalsContact C-N 3.31Å; P1138-N1140 PolarHBondContact O-N 3.41Å; N1140-V1142 PolarHBondContact O-N 3.25Å; N1140-V1142 WeakPolarHBondContact OD1-CA 3.34Å; N1140-V1142 PolarHBondContact OD1-N 2.85Å; N1140-M1143 PolarHBondContact ND2-O 2.92Å; N1140-M1143 PolarHBondContact OD1-N 2.58Å; N1140-M1143 PolarHBondContact OD1-O 2.76Å; N1140-M1143 VanDerWaalsContact OD1-O 3.09Å
1141	G	87.5	Confident	91.4	Very high	24 Å²	24	48.3 Å²	48.3	25%	0.247	29%	0.287	C	S	.	.	S	Bend	trans	72.8	-2.4	-176.6	0	0	0	0	0	115.5	P1138 T1139 R1264	P1138-G1141 PolarHBondContact O-N 2.92Å; T1139-G1141 VanDerWaalsContact C-N 3.26Å; T1139-G1141 PolarHBondContact O-N 2.94Å; G1141-R1264 PolarHBondContact O-NH1 3.33Å; G1141-R1264 PolarHBondContact O-NH2 3.38Å
1142	V	89.2	Confident	91.5	Very high	78 Å²	78	43.7 Å²	43.7	47%	0.473	26%	0.257	S	S	.	.	S	Bend	trans	-108.9	-64.5	-177.4	-174.1	0	0	0	0	111.3	N1140 F1266	N1140-V1142 PolarHBondContact O-N 3.25Å; N1140-V1142 WeakPolarHBondContact OD1-CA 3.34Å; N1140-V1142 PolarHBondContact OD1-N 2.85Å; V1142-F1266 HydrophobicContact CB-CZ 4.38Å; V1142-F1266 HydrophobicContact CG1-CZ 4.06Å; V1142-F1266 HydrophobicContact CG2-CE1 3.82Å; V1142-F1266 HydrophobicContact CG2-CZ 3.88Å
1143	M	90.7	Very high	91.6	Very high	56 Å²	56	42.2 Å²	42.2	28%	0.276	25%	0.249	S	C	.	.			trans	-166.5	149.1	-174	56.6	-164.9	-88.2	0	0	110.9	N1140 R1197 L1200 F1201	N1140-M1143 PolarHBondContact ND2-O 2.92Å; N1140-M1143 PolarHBondContact OD1-N 2.58Å; N1140-M1143 PolarHBondContact OD1-O 2.76Å; N1140-M1143 VanDerWaalsContact OD1-O 3.09Å; M1143-R1197 HydrophobicContact CE-CG 3.86Å; M1143-L1200 HydrophobicContact CE-CD1 4.5Å; M1143-F1201 HydrophobicContact CE-CE2 3.39Å; M1143-F1201 HydrophobicContact CE-CZ 3.72Å
1144	H	91.6	Very high	91.7	Very high	11 Å²	11	42.2 Å²	42.2	5%	0.051	25%	0.249	C	C	.	.			trans	-64	145.6	170.9	-62.9	-67.8	0	0	0	110.3	P1136 P1138 E1147 V1149 F1201	P1136-H1144 PolarHBondContact O-CE1 2.95Å; P1136-H1144 PolarHBondContact O-NE2 2.99Å; P1138-H1144 VanDerWaalsContact CA-CE1 3.45Å; P1138-H1144 WeakPolarHBondContact CA-CE1 3.47Å; H1144-E1147 HydrophobicContact CB-CB 4.27Å; H1144-V1149 VanDerWaalsContact CE1-CG2 3.49Å; H1144-V1149 WeakPolarHBondContact CE1-CG2 3.37Å; H1144-F1201 VanDerWaalsContact O-CE2 3.27Å; H1144-F1201 WeakPolarHBondContact O-CE2 3.49Å
1145	V	91	Very high	91.9	Very high	53 Å²	53	37.9 Å²	37.9	32%	0.321	23%	0.233	S	C	.	.	S	Bend	trans	-128.5	-61.9	-176.5	178.5	0	0	0	0	110.5	E1147 F1201	V1145-E1147 PolarHBondContact N-OE2 3.26Å; V1145-F1201 HydrophobicContact CB-CZ 4.15Å; V1145-F1201 HydrophobicContact CG1-CE1 3.89Å; V1145-F1201 HydrophobicContact CG1-CZ 3.87Å; V1145-F1201 HydrophobicContact CG2-CE2 4.42Å; V1145-F1201 HydrophobicContact CG2-CZ 3.98Å
1146	D	91.7	Very high	92.2	Very high	41 Å²	41	36.8 Å²	36.8	22%	0.219	22%	0.222	C	C	.	.	S	Bend	trans	-93.1	-27.1	178.5	-66.2	-28.3	0	0	0	110.9	I983 C984 R985 R1153	I983-D1146 WeakPolarHBondContact CA-O 3.38Å; I983-D1146 HydrophobicContact CG2-CB 3.54Å; C984-D1146 PolarHBondContact N-O 3.07Å; R985-D1146 HydrophobicContact CG-CB 4.27Å; R985-D1146 WeakPolarHBondContact CG-OD2 3.32Å; R985-D1146 IonicContact CZ-OD2 2.79Å; R985-D1146 IonicContact NE-OD2 3.72Å; R985-D1146 PolarHBondContact NE-OD2 2.89Å; R985-D1146 IonicContact NH2-OD2 2.68Å; D1146-R1153 PolarHBondContact O-NH2 2.91Å
1147	E	92.7	Very high	92.4	Very high	35 Å²	35	33.3 Å²	33.3	16%	0.164	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-64.7	136.8	-175.2	-56	93.3	149.6	0	0	112.3	T1139 H1144 V1145 V1149 R1153	T1139-E1147 PolarHBondContact OG1-OE1 2.96Å; H1144-E1147 HydrophobicContact CB-CB 4.27Å; V1145-E1147 PolarHBondContact N-OE2 3.26Å; E1147-V1149 HydrophobicContact CB-CG1 4.47Å; E1147-V1149 HydrophobicContact CB-CG2 4.16Å; E1147-V1149 PolarHBondContact O-N 3.21Å; E1147-R1153 PolarHBondContact O-NE 2.58Å
1148	C	93	Very high	92.7	Very high	4 Å²	4	27.8 Å²	27.8	3%	0.027	16%	0.163	C	C	.	.			trans	-101.4	42.7	-178.1	-61.5	0	0	0	0	113.1	M980 P981 K982 C984 R1153	M980-C1148 HydrophobicContact CB-CB 4.24Å; M980-C1148 HydrophobicContact CE-CB 3.77Å; P981-C1148 WeakPolarHBondContact O-CB 3.31Å; P981-C1148 PolarHBondContact O-SG 2.99Å; K982-C1148 PolarHBondContact O-N 2.8Å; K982-C1148 VanDerWaalsContact O-N 3.15Å; C984-C1148 VanDerWaalsContact CB-SG 3.58Å; C1148-R1153 HydrophobicContact CB-CB 4.28Å; C1148-R1153 PolarHBondContact SG-NH2 2.74Å; C1148-R1153 VanDerWaalsContact SG-NH2 3.45Å
1149	V	93	Very high	93	Very high	38 Å²	38	26.4 Å²	26.4	23%	0.23	15%	0.154	C	C	.	.			trans	-103.4	-0.9	-170.3	-59.8	0	0	0	0	114.8	G1135 P1136 H1144 E1147	G1135-V1149 WeakPolarHBondContact CA-O 3.45Å; P1136-V1149 HydrophobicContact CG-CB 4.41Å; P1136-V1149 HydrophobicContact CG-CG2 4.17Å; H1144-V1149 VanDerWaalsContact CE1-CG2 3.49Å; H1144-V1149 WeakPolarHBondContact CE1-CG2 3.37Å; E1147-V1149 HydrophobicContact CB-CG1 4.47Å; E1147-V1149 HydrophobicContact CB-CG2 4.16Å; E1147-V1149 PolarHBondContact O-N 3.21Å
1150	E	94	Very high	93.4	Very high	9 Å²	9	20.8 Å²	20.8	4%	0.042	12%	0.119	C	C	.	.	S	Bend	trans	-107.5	146.8	177.1	-59.7	-163.3	99	0	0	110.8	H1152 R1153 R1197	E1150-H1152 VanDerWaalsContact C-N 3.26Å; E1150-H1152 VanDerWaalsContact CB-CD2 3.43Å; E1150-H1152 WeakPolarHBondContact CB-CD2 3.45Å; E1150-H1152 PolarHBondContact O-N 3.32Å; E1150-H1152 VanDerWaalsContact O-N 3.14Å; E1150-H1152 IonicContact OE2-CD2 2.72Å; E1150-H1152 PolarHBondContact OE2-CD2 2.67Å; E1150-H1152 IonicContact OE2-CE1 2.73Å; E1150-H1152 IonicContact OE2-NE2 3.15Å; E1150-H1152 PolarHBondContact OE2-NE2 3.27Å; E1150-R1153 WeakPolarHBondContact O-CB 3.23Å; E1150-R1153 PolarHBondContact O-N 3.19Å; E1150-R1197 IonicContact OE1-CZ 3.84Å; E1150-R1197 IonicContact OE1-NE 2.72Å; E1150-R1197 PolarHBondContact OE1-NE 3.21Å; E1150-R1197 IonicContact OE1-NH2 3.71Å; E1150-R1197 PolarHBondContact OE1-NH2 3.02Å; E1150-R1197 IonicContact OE2-CZ 2.68Å; E1150-R1197 IonicContact OE2-NE 3.67Å; E1150-R1197 PolarHBondContact OE2-NE 2.98Å; E1150-R1197 IonicContact OE2-NH2 3.66Å
1151	F	95.2	Very high	93.6	Very high	1 Å²	1	17.8 Å²	17.8	0%	0.004	10%	0.104	C	C	.	.	H	α-helix	trans	-52.6	-39.4	-179.1	175.7	-97.9	0	0	0	113.9	V973 W1133 R1153 L1154 W1155 I1188 I1189 L1192	V973-F1151 HydrophobicContact CG1-CD2 4.22Å; V973-F1151 HydrophobicContact CG2-CD2 4.11Å; V973-F1151 HydrophobicContact CG2-CE2 3.89Å; W1133-F1151 HydrophobicContact CE3-CB 4.12Å; W1133-F1151 AromaticContact CE3-CD2 3.77Å; W1133-F1151 HydrophobicContact CE3-CD2 3.77Å; W1133-F1151 HydrophobicContact CE3-CE2 4.45Å; W1133-F1151 AromaticContact CE3-CG 3.99Å; W1133-F1151 HydrophobicContact CE3-CG 3.99Å; W1133-F1151 AromaticContact CZ3-CD2 3.53Å; W1133-F1151 HydrophobicContact CZ3-CD2 3.53Å; W1133-F1151 AromaticContact CZ3-CE2 3.79Å; W1133-F1151 HydrophobicContact CZ3-CE2 3.79Å; W1133-F1151 HydrophobicContact CZ3-CG 4.13Å; W1133-F1151 PolarHBondContact O-N 2.93Å; F1151-R1153 PolarHBondContact O-N 3.29Å; F1151-R1153 VanDerWaalsContact O-N 3.15Å; F1151-L1154 WeakPolarHBondContact O-CB 3.49Å; F1151-L1154 PolarHBondContact O-N 3.44Å; F1151-L1154 VanDerWaalsContact O-N 3.07Å; F1151-W1155 HydrophobicContact CE1-CB 4.22Å; F1151-W1155 HydrophobicContact CZ-CE3 4.47Å; F1151-W1155 PolarHBondContact O-N 3.32Å; F1151-I1188 HydrophobicContact CD1-CB 4.1Å; F1151-I1188 HydrophobicContact CD1-CG2 3.4Å; F1151-I1188 VanDerWaalsContact CD1-CG2 3.4Å; F1151-I1188 HydrophobicContact CD2-CG2 4.42Å; F1151-I1188 HydrophobicContact CE1-CB 3.68Å; F1151-I1188 HydrophobicContact CE1-CD1 4.24Å; F1151-I1188 HydrophobicContact CE1-CG2 3.45Å; F1151-I1188 VanDerWaalsContact CE1-CG2 3.45Å; F1151-I1188 HydrophobicContact CE2-CG2 4.46Å; F1151-I1188 HydrophobicContact CG-CG2 3.92Å; F1151-I1188 HydrophobicContact CZ-CB 4.24Å; F1151-I1188 HydrophobicContact CZ-CD1 3.91Å; F1151-I1188 HydrophobicContact CZ-CG2 4.01Å; F1151-I1189 HydrophobicContact CD1-CG1 3.94Å; F1151-I1189 HydrophobicContact CE1-CG1 4.02Å; F1151-L1192 HydrophobicContact CB-CD1 3.98Å; F1151-L1192 HydrophobicContact CD1-CD1 4.48Å; F1151-L1192 HydrophobicContact CG-CD1 4.47Å
1152	H	95.3	Very high	93.9	Very high	1 Å²	1	17 Å²	17	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-61.2	-23.3	177.8	78.1	92.9	0	0	0	114.7	E1150 S1156 I1189 Q1194 F1198	E1150-H1152 VanDerWaalsContact C-N 3.26Å; E1150-H1152 VanDerWaalsContact CB-CD2 3.43Å; E1150-H1152 WeakPolarHBondContact CB-CD2 3.45Å; E1150-H1152 PolarHBondContact O-N 3.32Å; E1150-H1152 VanDerWaalsContact O-N 3.14Å; E1150-H1152 IonicContact OE2-CD2 2.72Å; E1150-H1152 PolarHBondContact OE2-CD2 2.67Å; E1150-H1152 IonicContact OE2-CE1 2.73Å; E1150-H1152 IonicContact OE2-NE2 3.15Å; E1150-H1152 PolarHBondContact OE2-NE2 3.27Å; H1152-S1156 WeakPolarHBondContact O-CB 3.1Å; H1152-S1156 PolarHBondContact O-N 3.44Å; H1152-S1156 PolarHBondContact O-OG 3.31Å; H1152-I1189 HydrophobicContact CB-CD1 4.05Å; H1152-I1189 HydrophobicContact CB-CG1 3.98Å; H1152-Q1194 HydrophobicContact CB-CB 4.02Å; H1152-F1198 HydrophobicContact CB-CB 3.95Å; H1152-F1198 HydrophobicContact CB-CD2 4.12Å; H1152-F1198 HydrophobicContact CB-CG 4.42Å; H1152-F1198 WeakPolarHBondContact ND1-CA 3.17Å; H1152-F1198 PolarHBondContact ND1-N 3.45Å
1153	R	95.6	Very high	94.2	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.015	7%	0.071	C	C	.	.	H	α-helix	trans	-75.7	-39.2	174.5	-61.7	-74.9	-79.8	161	-2.3	110.9	M980 C984 D1146 E1147 C1148 E1150 F1151 S1156 A1157 F1201	M980-R1153 HydrophobicContact CE-CB 4.41Å; M980-R1153 VanDerWaalsContact CE-O 3.28Å; M980-R1153 WeakPolarHBondContact CE-O 3.48Å; C984-R1153 PolarHBondContact O-NH2 3.5Å; D1146-R1153 PolarHBondContact O-NH2 2.91Å; E1147-R1153 PolarHBondContact O-NE 2.58Å; C1148-R1153 HydrophobicContact CB-CB 4.28Å; C1148-R1153 PolarHBondContact SG-NH2 2.74Å; C1148-R1153 VanDerWaalsContact SG-NH2 3.45Å; E1150-R1153 WeakPolarHBondContact O-CB 3.23Å; E1150-R1153 PolarHBondContact O-N 3.19Å; F1151-R1153 PolarHBondContact O-N 3.29Å; F1151-R1153 VanDerWaalsContact O-N 3.15Å; R1153-S1156 WeakPolarHBondContact O-CB 3.4Å; R1153-S1156 PolarHBondContact O-N 3.18Å; R1153-A1157 PolarHBondContact O-N 3.31Å; R1153-A1157 VanDerWaalsContact O-N 3.17Å; R1153-F1201 PolarHBondContact NH1-O 2.91Å
1154	L	95.1	Very high	94.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.3	-43.3	168.8	175.1	61.7	0	0	0	110.8	V973 L976 I977 M980 I1007 F1151 S1156 A1157 M1158	V973-L1154 HydrophobicContact CB-CD2 4.36Å; V973-L1154 HydrophobicContact CG1-CD2 4.24Å; V973-L1154 HydrophobicContact CG2-CD2 4.05Å; L976-L1154 HydrophobicContact CB-CD1 3.67Å; L976-L1154 HydrophobicContact CB-CD2 3.93Å; L976-L1154 HydrophobicContact CB-CG 4.48Å; L976-L1154 HydrophobicContact CD1-CD1 4.35Å; L976-L1154 HydrophobicContact CD1-CD2 4.49Å; I977-L1154 HydrophobicContact CG1-CB 4.37Å; I977-L1154 HydrophobicContact CG1-CD2 4.17Å; M980-L1154 HydrophobicContact CG-CD1 3.95Å; M980-L1154 HydrophobicContact SD-CD1 4.17Å; I1007-L1154 HydrophobicContact CD1-CD1 4.37Å; F1151-L1154 WeakPolarHBondContact O-CB 3.49Å; F1151-L1154 PolarHBondContact O-N 3.44Å; F1151-L1154 VanDerWaalsContact O-N 3.07Å; L1154-S1156 VanDerWaalsContact C-N 3.3Å; L1154-S1156 PolarHBondContact O-N 3.3Å; L1154-A1157 WeakPolarHBondContact O-CA 3.32Å; L1154-A1157 WeakPolarHBondContact O-CB 3.19Å; L1154-A1157 PolarHBondContact O-N 3.14Å; L1154-M1158 HydrophobicContact CD1-CE 4.06Å; L1154-M1158 HydrophobicContact CD2-CE 3.93Å; L1154-M1158 HydrophobicContact CG-CE 3.85Å; L1154-M1158 HydrophobicContact CG-SD 4.49Å; L1154-M1158 WeakPolarHBondContact O-CG 3.46Å; L1154-M1158 PolarHBondContact O-N 3.49Å
1155	W	96.3	Very high	94.3	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.4	-36.5	174.6	-173	-108.8	0	0	0	112.5	L1021 F1151 A1157 M1158 Q1159 Y1162 L1181 I1189 F1198	L1021-W1155 HydrophobicContact CD1-CZ3 4.04Å; F1151-W1155 HydrophobicContact CE1-CB 4.22Å; F1151-W1155 HydrophobicContact CZ-CE3 4.47Å; F1151-W1155 PolarHBondContact O-N 3.32Å; W1155-A1157 VanDerWaalsContact C-N 3.26Å; W1155-A1157 PolarHBondContact O-N 3.47Å; W1155-M1158 HydrophobicContact CE3-CB 4.12Å; W1155-M1158 HydrophobicContact CE3-SD 3.75Å; W1155-M1158 HydrophobicContact CZ3-CB 4.44Å; W1155-M1158 HydrophobicContact CZ3-SD 4.06Å; W1155-M1158 PolarHBondContact O-N 3.03Å; W1155-Q1159 VanDerWaalsContact O-CB 3.31Å; W1155-Q1159 WeakPolarHBondContact O-CB 3.25Å; W1155-Q1159 PolarHBondContact O-N 3.28Å; W1155-Y1162 AromaticContact CH2-CE1 3.93Å; W1155-Y1162 HydrophobicContact CH2-CE1 3.93Å; W1155-Y1162 AromaticContact CZ2-CE1 3.84Å; W1155-Y1162 HydrophobicContact CZ2-CE1 3.84Å; W1155-Y1162 WeakPolarHBondContact CZ2-OH 3.33Å; W1155-L1181 HydrophobicContact CH2-CD1 3.97Å; W1155-L1181 HydrophobicContact CH2-CG 4.07Å; W1155-L1181 WeakPolarHBondContact CH2-O 3.09Å; W1155-L1181 HydrophobicContact CZ3-CD1 4.19Å; W1155-I1189 HydrophobicContact CB-CD1 3.81Å; W1155-I1189 HydrophobicContact CG-CD1 3.62Å; W1155-F1198 AromaticContact CD1-CE2 3.61Å; W1155-F1198 AromaticContact CD1-CZ 3.67Å
1156	S	96.1	Very high	94.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.8	-37.5	171.6	-53	0	0	0	0	112.1	H1152 R1153 L1154 F1160 D1202 F1203	H1152-S1156 WeakPolarHBondContact O-CB 3.1Å; H1152-S1156 PolarHBondContact O-N 3.44Å; H1152-S1156 PolarHBondContact O-OG 3.31Å; R1153-S1156 WeakPolarHBondContact O-CB 3.4Å; R1153-S1156 PolarHBondContact O-N 3.18Å; L1154-S1156 VanDerWaalsContact C-N 3.3Å; L1154-S1156 PolarHBondContact O-N 3.3Å; S1156-F1160 PolarHBondContact O-N 2.95Å; S1156-D1202 VanDerWaalsContact CA-OD1 3.27Å; S1156-D1202 WeakPolarHBondContact CA-OD1 3.03Å; S1156-D1202 VanDerWaalsContact CB-OD1 3.26Å; S1156-D1202 WeakPolarHBondContact CB-OD1 3.48Å; S1156-D1202 PolarHBondContact OG-OD1 3.47Å; S1156-F1203 VanDerWaalsContact CB-CD2 3.45Å
1157	A	95.6	Very high	93.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-72.3	-42.8	175.2	0	0	0	0	0	112.2	M980 L1004 I1007 R1153 L1154 W1155 Q1159 F1160 V1161 F1203	M980-A1157 HydrophobicContact CE-CB 3.97Å; M980-A1157 HydrophobicContact SD-CB 3.45Å; M980-A1157 WeakPolarHBondContact SD-CB 3.49Å; L1004-A1157 HydrophobicContact CD1-CB 4.29Å; L1004-A1157 HydrophobicContact CD2-CB 3.83Å; I1007-A1157 HydrophobicContact CG1-CB 4.38Å; I1007-A1157 HydrophobicContact CG2-CB 4.1Å; R1153-A1157 PolarHBondContact O-N 3.31Å; R1153-A1157 VanDerWaalsContact O-N 3.17Å; L1154-A1157 WeakPolarHBondContact O-CA 3.32Å; L1154-A1157 WeakPolarHBondContact O-CB 3.19Å; L1154-A1157 PolarHBondContact O-N 3.14Å; W1155-A1157 VanDerWaalsContact C-N 3.26Å; W1155-A1157 PolarHBondContact O-N 3.47Å; A1157-Q1159 VanDerWaalsContact C-N 3.27Å; A1157-Q1159 PolarHBondContact O-N 2.92Å; A1157-F1160 WeakPolarHBondContact O-CB 3.44Å; A1157-F1160 PolarHBondContact O-N 3.07Å; A1157-F1160 VanDerWaalsContact O-N 3.13Å; A1157-V1161 PolarHBondContact O-N 3.15Å; A1157-V1161 VanDerWaalsContact O-N 3.07Å; A1157-F1203 HydrophobicContact CB-CE2 4.23Å
1158	M	95.4	Very high	93.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58.6	-40.4	172	-66.9	180	173.3	0	0	111.8	L976 L1013 V1017 F1018 L1021 L1154 W1155 V1161 Y1162	L976-M1158 HydrophobicContact CD1-CE 3.6Å; L1013-M1158 HydrophobicContact CD1-CE 4.01Å; L1013-M1158 HydrophobicContact CD1-CG 4.27Å; V1017-M1158 HydrophobicContact CG1-CE 3.62Å; F1018-M1158 HydrophobicContact CE1-CB 3.97Å; F1018-M1158 HydrophobicContact CE1-CG 4.04Å; F1018-M1158 HydrophobicContact CE1-SD 4.22Å; F1018-M1158 HydrophobicContact CZ-CB 4.33Å; L1021-M1158 HydrophobicContact CD1-SD 4.29Å; L1154-M1158 HydrophobicContact CD1-CE 4.06Å; L1154-M1158 HydrophobicContact CD2-CE 3.93Å; L1154-M1158 HydrophobicContact CG-CE 3.85Å; L1154-M1158 HydrophobicContact CG-SD 4.49Å; L1154-M1158 WeakPolarHBondContact O-CG 3.46Å; L1154-M1158 PolarHBondContact O-N 3.49Å; W1155-M1158 HydrophobicContact CE3-CB 4.12Å; W1155-M1158 HydrophobicContact CE3-SD 3.75Å; W1155-M1158 HydrophobicContact CZ3-CB 4.44Å; W1155-M1158 HydrophobicContact CZ3-SD 4.06Å; W1155-M1158 PolarHBondContact O-N 3.03Å; M1158-V1161 PolarHBondContact O-N 3.24Å; M1158-V1161 VanDerWaalsContact O-N 3.15Å; M1158-Y1162 WeakPolarHBondContact O-CD1 3.33Å; M1158-Y1162 PolarHBondContact O-N 3.01Å
1159	Q	96.3	Very high	93	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.8	-40.5	174.3	177.6	162.8	-108.3	0	0	112	W1155 A1157 V1161 Y1162 C1163 D1202 C1204 N1239	W1155-Q1159 VanDerWaalsContact O-CB 3.31Å; W1155-Q1159 WeakPolarHBondContact O-CB 3.25Å; W1155-Q1159 PolarHBondContact O-N 3.28Å; A1157-Q1159 VanDerWaalsContact C-N 3.27Å; A1157-Q1159 PolarHBondContact O-N 2.92Å; Q1159-V1161 VanDerWaalsContact C-N 3.31Å; Q1159-V1161 PolarHBondContact O-N 2.86Å; Q1159-Y1162 VanDerWaalsContact CA-CE1 3.48Å; Q1159-Y1162 VanDerWaalsContact CA-CZ 3.42Å; Q1159-Y1162 HydrophobicContact CB-CE1 4.08Å; Q1159-Y1162 HydrophobicContact CB-CE2 3.99Å; Q1159-Y1162 WeakPolarHBondContact CB-OH 3.44Å; Q1159-Y1162 HydrophobicContact CG-CE2 3.67Å; Q1159-Y1162 PolarHBondContact O-N 3.5Å; Q1159-Y1162 PolarHBondContact OE1-OH 3.48Å; Q1159-C1163 WeakPolarHBondContact O-CB 3.22Å; Q1159-C1163 PolarHBondContact O-N 2.67Å; Q1159-C1163 PolarHBondContact O-SG 3.06Å; Q1159-D1202 PolarHBondContact NE2-OD1 3.25Å; Q1159-D1202 PolarHBondContact NE2-OD2 2.97Å; Q1159-C1204 HydrophobicContact CG-CB 4.2Å; Q1159-N1239 PolarHBondContact OE1-ND2 2.89Å
1160	F	95.6	Very high	92.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57	-46.5	171.2	-169.3	-92.9	0	0	0	111.2	L997 F1000 H1001 L1004 I1008 S1156 A1157 C1163 I1164 C1204 M1228	L997-F1160 HydrophobicContact CD1-CE2 3.95Å; L997-F1160 HydrophobicContact CD1-CZ 3.77Å; F1000-F1160 HydrophobicContact CB-CD2 4.1Å; F1000-F1160 HydrophobicContact CB-CE2 3.54Å; F1000-F1160 HydrophobicContact CB-CZ 3.85Å; F1000-F1160 HydrophobicContact CD2-CE2 4.39Å; F1000-F1160 HydrophobicContact CG-CE2 4.41Å; H1001-F1160 HydrophobicContact CB-CE1 4.4Å; H1001-F1160 HydrophobicContact CB-CZ 4.25Å; L1004-F1160 HydrophobicContact CD1-CB 3.75Å; L1004-F1160 HydrophobicContact CD1-CD1 3.96Å; L1004-F1160 HydrophobicContact CD1-CD2 4.29Å; L1004-F1160 HydrophobicContact CD1-CG 3.74Å; I1008-F1160 HydrophobicContact CD1-CD1 3.96Å; I1008-F1160 HydrophobicContact CD1-CE1 3.71Å; I1008-F1160 HydrophobicContact CG1-CD1 4.28Å; I1008-F1160 HydrophobicContact CG1-CE1 4.48Å; S1156-F1160 PolarHBondContact O-N 2.95Å; A1157-F1160 WeakPolarHBondContact O-CB 3.44Å; A1157-F1160 PolarHBondContact O-N 3.07Å; A1157-F1160 VanDerWaalsContact O-N 3.13Å; F1160-C1163 PolarHBondContact O-N 3.44Å; F1160-I1164 HydrophobicContact CD1-CD1 4.31Å; F1160-I1164 HydrophobicContact CE1-CD1 4.18Å; F1160-I1164 WeakPolarHBondContact O-CG1 3.48Å; F1160-I1164 PolarHBondContact O-N 3.46Å; F1160-C1204 WeakPolarHBondContact CA-SG 3.3Å; F1160-M1228 HydrophobicContact CD2-CE 3.83Å; F1160-M1228 HydrophobicContact CE2-CE 3.82Å; F1160-M1228 HydrophobicContact CG-CE 4.31Å; F1160-M1228 HydrophobicContact CZ-CE 4.29Å
1161	V	94.5	Very high	92.3	Very high	18 Å²	18	33.5 Å²	33.5	11%	0.109	19%	0.187	C	C	.	.	H	α-helix	trans	-61.4	-50.1	178.3	-176.2	0	0	0	0	112.6	I1007 I1008 L1013 A1157 M1158 Q1159 C1163 I1164	I1007-V1161 HydrophobicContact CG2-CG2 4.18Å; I1008-V1161 HydrophobicContact CB-CG2 4.41Å; I1008-V1161 HydrophobicContact CG1-CG2 3.91Å; L1013-V1161 HydrophobicContact CD2-CB 4.11Å; L1013-V1161 HydrophobicContact CD2-CG1 3.94Å; L1013-V1161 HydrophobicContact CD2-CG2 3.91Å; A1157-V1161 PolarHBondContact O-N 3.15Å; A1157-V1161 VanDerWaalsContact O-N 3.07Å; M1158-V1161 PolarHBondContact O-N 3.24Å; M1158-V1161 VanDerWaalsContact O-N 3.15Å; Q1159-V1161 VanDerWaalsContact C-N 3.31Å; Q1159-V1161 PolarHBondContact O-N 2.86Å; V1161-C1163 VanDerWaalsContact C-N 3.3Å; V1161-C1163 PolarHBondContact O-N 3.22Å; V1161-I1164 WeakPolarHBondContact O-CB 3.45Å; V1161-I1164 PolarHBondContact O-N 3.24Å
1162	Y	94	Very high	92.1	Very high	7 Å²	7	34.5 Å²	34.5	3%	0.027	19%	0.193	C	C	.	.	H	α-helix	trans	-75.9	-16.5	-178	64.5	-122.4	0	0	0	114.2	F1018 W1155 M1158 Q1159 L1181 N1182 R1231 Y1235	F1018-Y1162 HydrophobicContact CZ-CD1 4.24Å; W1155-Y1162 AromaticContact CH2-CE1 3.93Å; W1155-Y1162 HydrophobicContact CH2-CE1 3.93Å; W1155-Y1162 AromaticContact CZ2-CE1 3.84Å; W1155-Y1162 HydrophobicContact CZ2-CE1 3.84Å; W1155-Y1162 WeakPolarHBondContact CZ2-OH 3.33Å; M1158-Y1162 WeakPolarHBondContact O-CD1 3.33Å; M1158-Y1162 PolarHBondContact O-N 3.01Å; Q1159-Y1162 VanDerWaalsContact CA-CE1 3.48Å; Q1159-Y1162 VanDerWaalsContact CA-CZ 3.42Å; Q1159-Y1162 HydrophobicContact CB-CE1 4.08Å; Q1159-Y1162 HydrophobicContact CB-CE2 3.99Å; Q1159-Y1162 WeakPolarHBondContact CB-OH 3.44Å; Q1159-Y1162 HydrophobicContact CG-CE2 3.67Å; Q1159-Y1162 PolarHBondContact O-N 3.5Å; Q1159-Y1162 PolarHBondContact OE1-OH 3.48Å; Y1162-L1181 HydrophobicContact CD1-CD2 4.45Å; Y1162-N1182 PolarHBondContact OH-OD1 3.11Å; Y1162-R1231 PolarHBondContact O-NH2 3.04Å; Y1162-Y1235 AromaticContact CD2-CD1 3.94Å; Y1162-Y1235 HydrophobicContact CD2-CD1 3.94Å; Y1162-Y1235 AromaticContact CD2-CD2 3.85Å; Y1162-Y1235 HydrophobicContact CD2-CD2 3.85Å; Y1162-Y1235 AromaticContact CD2-CE1 3.74Å; Y1162-Y1235 HydrophobicContact CD2-CE1 3.74Å; Y1162-Y1235 AromaticContact CD2-CE2 3.62Å; Y1162-Y1235 HydrophobicContact CD2-CE2 3.62Å; Y1162-Y1235 AromaticContact CD2-CG 3.98Å; Y1162-Y1235 HydrophobicContact CD2-CG 3.98Å; Y1162-Y1235 AromaticContact CD2-CZ 3.54Å; Y1162-Y1235 AromaticContact CE2-CD1 3.48Å; Y1162-Y1235 HydrophobicContact CE2-CD1 3.48Å; Y1162-Y1235 VanDerWaalsContact CE2-CD1 3.48Å; Y1162-Y1235 AromaticContact CE2-CD2 3.84Å; Y1162-Y1235 HydrophobicContact CE2-CD2 3.84Å; Y1162-Y1235 AromaticContact CE2-CE1 3.74Å; Y1162-Y1235 HydrophobicContact CE2-CE1 3.74Å; Y1162-Y1235 HydrophobicContact CE2-CE2 4.06Å; Y1162-Y1235 AromaticContact CE2-CG 3.52Å; Y1162-Y1235 HydrophobicContact CE2-CG 3.52Å; Y1162-Y1235 AromaticContact CE2-CZ 4Å
1163	C	95.1	Very high	91.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-75.3	-26.4	171.5	-73.5	0	0	0	0	113.1	Q1159 F1160 V1161 P1165 M1228 R1231 I1232 Y1235	Q1159-C1163 WeakPolarHBondContact O-CB 3.22Å; Q1159-C1163 PolarHBondContact O-N 2.67Å; Q1159-C1163 PolarHBondContact O-SG 3.06Å; F1160-C1163 PolarHBondContact O-N 3.44Å; V1161-C1163 VanDerWaalsContact C-N 3.3Å; V1161-C1163 PolarHBondContact O-N 3.22Å; C1163-P1165 WeakPolarHBondContact O-CD 3.33Å; C1163-M1228 HydrophobicContact CB-CE 3.68Å; C1163-M1228 HydrophobicContact CB-SD 3.75Å; C1163-R1231 WeakPolarHBondContact O-CD 3.25Å; C1163-R1231 PolarHBondContact O-NE 3.14Å; C1163-R1231 VanDerWaalsContact O-NE 3.08Å; C1163-I1232 HydrophobicContact CB-CG1 3.75Å; C1163-Y1235 VanDerWaalsContact SG-CD2 3.54Å
1164	I	93.5	Very high	91.6	Very high	32 Å²	32	38.4 Å²	38.4	16%	0.164	21%	0.214	C	C	.	.	S	Bend	trans	-53.1	124.8	178.8	-71.3	165.8	0	0	0	110	I1008 F1160 V1161 V1166 V1223 M1228	I1008-I1164 HydrophobicContact CG1-CD1 4.44Å; I1008-I1164 HydrophobicContact CG2-CD1 4.29Å; F1160-I1164 HydrophobicContact CD1-CD1 4.31Å; F1160-I1164 HydrophobicContact CE1-CD1 4.18Å; F1160-I1164 WeakPolarHBondContact O-CG1 3.48Å; F1160-I1164 PolarHBondContact O-N 3.46Å; V1161-I1164 WeakPolarHBondContact O-CB 3.45Å; V1161-I1164 PolarHBondContact O-N 3.24Å; I1164-V1166 PolarHBondContact O-N 3.13Å; I1164-V1223 HydrophobicContact CG1-CG2 4.39Å; I1164-V1223 HydrophobicContact CG2-CG2 4.11Å; I1164-M1228 HydrophobicContact CG1-CE 4.2Å; I1164-M1228 HydrophobicContact CG1-SD 4.46Å
1165	P	91.1	Very high	91.4	Very high	24 Å²	24	43.1 Å²	43.1	16%	0.156	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-67.3	122.5	173.9	-16.6	31.1	0	0	0	110.7	C1163 P1224 K1227 M1228	C1163-P1165 WeakPolarHBondContact O-CD 3.33Å; P1165-P1224 HydrophobicContact CB-CG 4.49Å; P1165-P1224 HydrophobicContact CG-CG 4.32Å; P1165-K1227 HydrophobicContact CB-CB 4.38Å; P1165-K1227 HydrophobicContact CG-CB 3.86Å; P1165-M1228 HydrophobicContact CG-CB 4.42Å
1166	V	88.8	Confident	91.2	Very high	54 Å²	54	43.4 Å²	43.4	33%	0.327	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-83.8	170.4	172.1	-62.2	0	0	0	0	111.5	I1164 E1170 T1172	I1164-V1166 PolarHBondContact O-N 3.13Å; V1166-E1170 HydrophobicContact CB-CB 3.9Å; V1166-E1170 WeakPolarHBondContact CB-OE2 3.48Å; V1166-E1170 HydrophobicContact CG2-CB 4.03Å; V1166-T1172 HydrophobicContact CG2-CG2 3.74Å
1167	G	84.5	Confident	91.2	Very high	37 Å²	37	43.5 Å²	43.5	38%	0.381	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-60.8	158.9	175	0	0	0	0	0	113	N1169 E1170	G1167-N1169 PolarHBondContact O-N 3.03Å; G1167-N1169 VanDerWaalsContact O-N 3.07Å; G1167-E1170 PolarHBondContact N-OE2 2.78Å; G1167-E1170 PolarHBondContact O-N 3.39Å
1168	T	82.5	Confident	91.1	Very high	142 Å²	142	43.8 Å²	43.8	87%	0.871	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.3	-176	52.6	0	0	0	0	114.5
1169	N	84.7	Confident	91.1	Very high	151 Å²	151	45 Å²	45	81%	0.807	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.1	6.2	-178.6	-57.6	4.6	0	0	0	111.9	G1167	G1167-N1169 PolarHBondContact O-N 3.03Å; G1167-N1169 VanDerWaalsContact O-N 3.07Å
1170	E	86.3	Confident	91.1	Very high	121 Å²	121	45 Å²	45	57%	0.565	25%	0.248	S	C	*	.	S	Bend	trans	-100.6	141.5	179	-65.1	-176.2	135.2	0	0	110.1	V1166 G1167	V1166-E1170 HydrophobicContact CB-CB 3.9Å; V1166-E1170 WeakPolarHBondContact CB-OE2 3.48Å; V1166-E1170 HydrophobicContact CG2-CB 4.03Å; G1167-E1170 PolarHBondContact N-OE2 2.78Å; G1167-E1170 PolarHBondContact O-N 3.39Å
1171	F	86.7	Confident	91.1	Very high	111 Å²	111	45 Å²	45	49%	0.487	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-74.4	131	180	-62.8	-76.1	0	0	0	111.4	A892 I893 C1176	A892-F1171 HydrophobicContact CB-CD1 3.49Å; A892-F1171 VanDerWaalsContact CB-CD1 3.49Å; A892-F1171 HydrophobicContact CB-CE1 3.75Å; A892-F1171 HydrophobicContact CB-CG 4Å; A892-F1171 HydrophobicContact CB-CZ 4.43Å; I893-F1171 HydrophobicContact CD1-CB 4.24Å; I893-F1171 HydrophobicContact CD1-CD2 3.87Å; I893-F1171 HydrophobicContact CD1-CG 4.39Å; I893-F1171 HydrophobicContact CG1-CD2 3.91Å; I893-F1171 HydrophobicContact CG1-CE2 4.46Å; I893-F1171 HydrophobicContact CG1-CG 4.38Å; F1171-C1176 VanDerWaalsContact CB-SG 3.6Å
1172	T	91.3	Very high	91.2	Very high	22 Å²	22	44.4 Å²	44.4	14%	0.135	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-78.5	162.1	179.4	63.7	0	0	0	0	111.6	V1166 E1174 Q1175 C1176	V1166-T1172 HydrophobicContact CG2-CG2 3.74Å; T1172-E1174 WeakPolarHBondContact CB-OE1 3.45Å; T1172-E1174 VanDerWaalsContact CB-OE2 3.23Å; T1172-E1174 WeakPolarHBondContact CB-OE2 3.47Å; T1172-E1174 PolarHBondContact O-N 2.91Å; T1172-E1174 WeakPolarHBondContact OG1-CG 3.33Å; T1172-E1174 PolarHBondContact OG1-OE1 2.74Å; T1172-E1174 PolarHBondContact OG1-OE2 3Å; T1172-Q1175 PolarHBondContact O-N 3.05Å; T1172-Q1175 WeakPolarHBondContact OG1-CG 3.23Å; T1172-Q1175 PolarHBondContact OG1-N 3.49Å; T1172-Q1175 PolarHBondContact OG1-OE1 2.7Å; T1172-C1176 PolarHBondContact O-N 3.26Å
1173	A	89.9	Confident	91.4	Very high	17 Å²	17	44.6 Å²	44.6	14%	0.14	25%	0.245	C	C	.	.	H	α-helix	trans	-59.1	-36.7	177.8	0	0	0	0	0	112.1	Q1175 C1176 F1177	A1173-Q1175 VanDerWaalsContact C-N 3.33Å; A1173-Q1175 PolarHBondContact O-N 2.97Å; A1173-C1176 PolarHBondContact O-N 2.98Å; A1173-F1177 WeakPolarHBondContact O-CD2 3.28Å; A1173-F1177 PolarHBondContact O-N 2.86Å
1174	E	91.2	Very high	91.4	Very high	71 Å²	71	44.7 Å²	44.7	33%	0.332	25%	0.245	S	C	.	.	H	α-helix	trans	-69	-25.7	175.3	65.3	-84.1	-165.2	0	0	113.8	T1172 G1178 R1231 Y1235	T1172-E1174 WeakPolarHBondContact CB-OE1 3.45Å; T1172-E1174 VanDerWaalsContact CB-OE2 3.23Å; T1172-E1174 WeakPolarHBondContact CB-OE2 3.47Å; T1172-E1174 PolarHBondContact O-N 2.91Å; T1172-E1174 WeakPolarHBondContact OG1-CG 3.33Å; T1172-E1174 PolarHBondContact OG1-OE1 2.74Å; T1172-E1174 PolarHBondContact OG1-OE2 3Å; E1174-G1178 VanDerWaalsContact O-CA 3.25Å; E1174-G1178 WeakPolarHBondContact O-CA 3.48Å; E1174-G1178 PolarHBondContact O-N 2.87Å; E1174-G1178 VanDerWaalsContact O-N 3.11Å; E1174-R1231 IonicContact OE1-CZ 2.67Å; E1174-R1231 IonicContact OE1-NH1 2.7Å; E1174-R1231 PolarHBondContact OE1-NH1 3.44Å; E1174-R1231 IonicContact OE1-NH2 3.39Å; E1174-R1231 IonicContact OE2-CZ 2.64Å; E1174-R1231 IonicContact OE2-NH1 3.71Å; E1174-R1231 PolarHBondContact OE2-NH1 2.99Å; E1174-R1231 IonicContact OE2-NH2 3.42Å; E1174-R1231 PolarHBondContact OE2-NH2 2.91Å; E1174-Y1235 PolarHBondContact OE2-OH 2.81Å
1175	Q	90.7	Very high	91.5	Very high	98 Å²	98	43.1 Å²	43.1	46%	0.458	24%	0.237	S	C	.	.	H	α-helix	trans	-79	-33.7	172	-72.6	171.3	-30.3	0	0	112.7	A892 T1172 A1173	A892-Q1175 HydrophobicContact CB-CB 4.41Å; A892-Q1175 PolarHBondContact N-O 3.1Å; T1172-Q1175 PolarHBondContact O-N 3.05Å; T1172-Q1175 WeakPolarHBondContact OG1-CG 3.23Å; T1172-Q1175 PolarHBondContact OG1-N 3.49Å; T1172-Q1175 PolarHBondContact OG1-OE1 2.7Å; A1173-Q1175 VanDerWaalsContact C-N 3.33Å; A1173-Q1175 PolarHBondContact O-N 2.97Å
1176	C	92.4	Very high	91.8	Very high	6 Å²	6	42 Å²	42	4%	0.041	23%	0.23	C	C	.	.	H	α-helix	trans	-84.2	-33.9	-179.4	-68.4	0	0	0	0	113.8	C880 T891 F895 R1022 F1171 T1172 A1173	C880-C1176 PolarHBondContact SG-O 3.41Å; T891-C1176 PolarHBondContact OG1-O 3.49Å; F895-C1176 HydrophobicContact CE2-CB 4.35Å; R1022-C1176 PolarHBondContact NH1-O 3.46Å; R1022-C1176 PolarHBondContact NH2-O 3.32Å; F1171-C1176 VanDerWaalsContact CB-SG 3.6Å; T1172-C1176 PolarHBondContact O-N 3.26Å; A1173-C1176 PolarHBondContact O-N 2.98Å
1177	F	94.3	Very high	92.1	Very high	3 Å²	3	39.5 Å²	39.5	1%	0.013	22%	0.215	C	C	.	.	H	α-helix	trans	-123.5	-15.8	-172.9	-54.9	-80.4	0	0	0	114.4	F895 K1014 F1018 Q1019 R1022 A1173 L1181	F895-F1177 HydrophobicContact CD2-CE1 4.04Å; F895-F1177 HydrophobicContact CD2-CZ 4.18Å; F895-F1177 AromaticContact CE2-CE1 3.79Å; F895-F1177 HydrophobicContact CE2-CE1 3.79Å; F895-F1177 HydrophobicContact CE2-CE2 4.35Å; F895-F1177 AromaticContact CE2-CZ 3.5Å; F895-F1177 HydrophobicContact CE2-CZ 3.5Å; F895-F1177 VanDerWaalsContact CE2-CZ 3.5Å; F895-F1177 HydrophobicContact CZ-CZ 4.02Å; K1014-F1177 HydrophobicContact CB-CZ 4.27Å; K1014-F1177 WeakPolarHBondContact O-CE1 3.38Å; K1014-F1177 WeakPolarHBondContact O-CZ 3.5Å; F1018-F1177 HydrophobicContact CB-CD1 3.99Å; F1018-F1177 HydrophobicContact CB-CD2 4.27Å; F1018-F1177 HydrophobicContact CB-CE1 3.69Å; F1018-F1177 HydrophobicContact CB-CE2 3.99Å; F1018-F1177 HydrophobicContact CB-CG 4.3Å; F1018-F1177 HydrophobicContact CB-CZ 3.7Å; F1018-F1177 HydrophobicContact CD2-CD2 4.34Å; F1018-F1177 AromaticContact CD2-CE2 3.97Å; F1018-F1177 HydrophobicContact CD2-CE2 3.97Å; F1018-F1177 HydrophobicContact CD2-CZ 4.39Å; Q1019-F1177 HydrophobicContact CB-CE1 4.37Å; R1022-F1177 HydrophobicContact CB-CB 4.29Å; R1022-F1177 HydrophobicContact CB-CD1 4Å; R1022-F1177 HydrophobicContact CG-CB 4.37Å; R1022-F1177 HydrophobicContact CG-CD1 4.44Å; R1022-F1177 VanDerWaalsContact NH2-CD1 3.28Å; A1173-F1177 WeakPolarHBondContact O-CD2 3.28Å; A1173-F1177 PolarHBondContact O-N 2.86Å; F1177-L1181 HydrophobicContact CB-CB 3.85Å; F1177-L1181 HydrophobicContact CB-CD2 4.08Å; F1177-L1181 HydrophobicContact CD2-CD2 4.23Å; F1177-L1181 HydrophobicContact CG-CD2 4.21Å
1178	G	94.9	Very high	92.6	Very high	5 Å²	5	37.9 Å²	37.9	5%	0.052	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	58.8	-159.7	-172.3	0	0	0	0	0	113.2	Y881 E1174 G1180	Y881-G1178 WeakPolarHBondContact O-CA 3.5Å; E1174-G1178 VanDerWaalsContact O-CA 3.25Å; E1174-G1178 WeakPolarHBondContact O-CA 3.48Å; E1174-G1178 PolarHBondContact O-N 2.87Å; E1174-G1178 VanDerWaalsContact O-N 3.11Å; G1178-G1180 VanDerWaalsContact C-N 3.26Å; G1178-G1180 PolarHBondContact O-N 2.91Å
1179	D	95.5	Very high	93.3	Very high	25 Å²	25	31.1 Å²	31.1	13%	0.134	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-17.8	179.9	-61.7	-28.9	0	0	0	112.5	Y881 G883 L1181 N1182 W1183 L1238	Y881-D1179 HydrophobicContact CD1-CB 4.01Å; Y881-D1179 PolarHBondContact O-N 3.49Å; G883-D1179 PolarHBondContact N-OD2 3.06Å; D1179-L1181 VanDerWaalsContact C-N 3.31Å; D1179-L1181 PolarHBondContact O-N 3.14Å; D1179-N1182 WeakPolarHBondContact O-CA 3.36Å; D1179-N1182 WeakPolarHBondContact O-CB 3.26Å; D1179-N1182 PolarHBondContact O-N 3.05Å; D1179-W1183 PolarHBondContact O-N 3.35Å; D1179-L1238 HydrophobicContact CB-CD1 4.43Å; D1179-L1238 HydrophobicContact CB-CD2 4.47Å; D1179-L1238 WeakPolarHBondContact OD1-CD2 3.27Å
1180	G	95.6	Very high	93.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-54	-43.5	-178.9	0	0	0	0	0	113	G1025 G1178 N1182 W1183 A1184	G1025-G1180 WeakPolarHBondContact CA-O 3.27Å; G1178-G1180 VanDerWaalsContact C-N 3.26Å; G1178-G1180 PolarHBondContact O-N 2.91Å; G1180-N1182 VanDerWaalsContact C-N 3.27Å; G1180-N1182 PolarHBondContact O-N 2.89Å; G1180-W1183 PolarHBondContact O-N 3.29Å; G1180-W1183 VanDerWaalsContact O-N 3.13Å; G1180-A1184 PolarHBondContact O-N 2.87Å
1181	L	96.4	Very high	94.1	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-52.5	-45.4	173.4	172.8	58.3	0	0	0	112.2	F1018 L1021 W1155 Y1162 F1177 D1179 G1185	F1018-L1181 HydrophobicContact CB-CD1 3.97Å; F1018-L1181 HydrophobicContact CB-CD2 4.13Å; F1018-L1181 HydrophobicContact CD1-CD1 3.94Å; F1018-L1181 HydrophobicContact CD1-CD2 4.33Å; F1018-L1181 HydrophobicContact CD2-CD2 3.95Å; F1018-L1181 HydrophobicContact CE2-CD2 4.43Å; F1018-L1181 HydrophobicContact CG-CD1 4.03Å; F1018-L1181 HydrophobicContact CG-CD2 3.89Å; L1021-L1181 HydrophobicContact CB-CD1 3.72Å; L1021-L1181 HydrophobicContact CD1-CD1 4.14Å; W1155-L1181 HydrophobicContact CH2-CD1 3.97Å; W1155-L1181 HydrophobicContact CH2-CG 4.07Å; W1155-L1181 WeakPolarHBondContact CH2-O 3.09Å; W1155-L1181 HydrophobicContact CZ3-CD1 4.19Å; Y1162-L1181 HydrophobicContact CD1-CD2 4.45Å; F1177-L1181 HydrophobicContact CB-CB 3.85Å; F1177-L1181 HydrophobicContact CB-CD2 4.08Å; F1177-L1181 HydrophobicContact CD2-CD2 4.23Å; F1177-L1181 HydrophobicContact CG-CD2 4.21Å; D1179-L1181 VanDerWaalsContact C-N 3.31Å; D1179-L1181 PolarHBondContact O-N 3.14Å; L1181-G1185 PolarHBondContact O-N 3.44Å
1182	N	96.1	Very high	94.4	Very high	4 Å²	4	14.6 Å²	14.6	2%	0.021	8%	0.077	C	C	.	.	H	α-helix	trans	-73.6	-35.5	-179.7	-58.2	-60.2	0	0	0	111.8	Y1162 D1179 G1180 A1184 G1185 C1186 L1238	Y1162-N1182 PolarHBondContact OH-OD1 3.11Å; D1179-N1182 WeakPolarHBondContact O-CA 3.36Å; D1179-N1182 WeakPolarHBondContact O-CB 3.26Å; D1179-N1182 PolarHBondContact O-N 3.05Å; G1180-N1182 VanDerWaalsContact C-N 3.27Å; G1180-N1182 PolarHBondContact O-N 2.89Å; N1182-A1184 VanDerWaalsContact C-N 3.35Å; N1182-A1184 PolarHBondContact O-N 3.34Å; N1182-G1185 PolarHBondContact O-N 2.99Å; N1182-C1186 WeakPolarHBondContact O-CB 3.42Å; N1182-C1186 PolarHBondContact O-N 3.39Å; N1182-C1186 PolarHBondContact O-SG 2.87Å; N1182-L1238 HydrophobicContact CB-CD2 3.98Å; N1182-L1238 HydrophobicContact CB-CG 4.43Å; N1182-L1238 VanDerWaalsContact ND2-CD2 3.33Å; N1182-L1238 WeakPolarHBondContact ND2-CD2 3.28Å
1183	W	97	Very high	94.4	Very high	12 Å²	12	15.5 Å²	15.5	5%	0.045	9%	0.091	C	C	.	.	H	α-helix	trans	-59.8	-41.2	173.4	-87.4	85.8	0	0	0	112.6	I1028 L1029 L1032 F1117 D1179 G1180 S1187 V1242 I1245 L1246	I1028-W1183 HydrophobicContact CG2-CE3 4.29Å; L1029-W1183 HydrophobicContact CD1-CB 4.26Å; L1029-W1183 HydrophobicContact CD1-CG 3.98Å; L1029-W1183 HydrophobicContact CD2-CD2 3.66Å; L1029-W1183 HydrophobicContact CD2-CE3 4.21Å; L1029-W1183 HydrophobicContact CD2-CG 3.93Å; L1029-W1183 HydrophobicContact CD2-CZ2 4.02Å; L1029-W1183 HydrophobicContact CG-CB 4.32Å; L1029-W1183 HydrophobicContact CG-CD2 4.04Å; L1029-W1183 HydrophobicContact CG-CG 3.92Å; L1032-W1183 HydrophobicContact CD2-CH2 3.73Å; L1032-W1183 HydrophobicContact CD2-CZ3 4.09Å; F1117-W1183 HydrophobicContact CZ-CZ3 4.25Å; D1179-W1183 PolarHBondContact O-N 3.35Å; G1180-W1183 PolarHBondContact O-N 3.29Å; G1180-W1183 VanDerWaalsContact O-N 3.13Å; W1183-S1187 WeakPolarHBondContact O-CB 3.43Å; W1183-S1187 PolarHBondContact O-N 3.09Å; W1183-S1187 PolarHBondContact O-OG 3.36Å; W1183-V1242 HydrophobicContact CD2-CG1 3.83Å; W1183-V1242 HydrophobicContact CD2-CG2 4.11Å; W1183-V1242 HydrophobicContact CE3-CG1 3.93Å; W1183-V1242 HydrophobicContact CG-CG1 4.22Å; W1183-V1242 HydrophobicContact CG-CG2 4.26Å; W1183-V1242 HydrophobicContact CZ2-CG1 4.49Å; W1183-V1242 HydrophobicContact CZ2-CG2 4.1Å; W1183-V1242 HydrophobicContact CZ3-CG1 4.31Å; W1183-I1245 HydrophobicContact CH2-CB 4.18Å; W1183-I1245 HydrophobicContact CH2-CD1 4.04Å; W1183-I1245 HydrophobicContact CH2-CG2 3.88Å; W1183-I1245 HydrophobicContact CZ2-CD1 4.03Å; W1183-L1246 HydrophobicContact CZ3-CD2 4.16Å; W1183-L1246 HydrophobicContact CZ3-CG 4.41Å
1184	A	96.7	Very high	94.6	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.008	8%	0.084	C	C	.	.	H	α-helix	trans	-68	-52.1	174.9	0	0	0	0	0	112.8	L1021 V1024 G1180 N1182 C1186 S1187 I1188	L1021-A1184 HydrophobicContact CB-CB 4.16Å; L1021-A1184 HydrophobicContact CD2-CB 4.05Å; L1021-A1184 WeakPolarHBondContact O-CB 3.31Å; V1024-A1184 HydrophobicContact CB-CB 4.09Å; V1024-A1184 HydrophobicContact CG1-CB 3.96Å; G1180-A1184 PolarHBondContact O-N 2.87Å; N1182-A1184 VanDerWaalsContact C-N 3.35Å; N1182-A1184 PolarHBondContact O-N 3.34Å; A1184-C1186 VanDerWaalsContact C-N 3.35Å; A1184-C1186 PolarHBondContact O-N 2.88Å; A1184-S1187 PolarHBondContact O-N 3.2Å; A1184-I1188 WeakPolarHBondContact O-CG1 3.39Å; A1184-I1188 PolarHBondContact O-N 2.76Å
1185	G	95.4	Very high	94.8	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-57.8	-46.2	179.6	0	0	0	0	0	112.3	L1181 N1182 I1188 I1189	L1181-G1185 PolarHBondContact O-N 3.44Å; N1182-G1185 PolarHBondContact O-N 2.99Å; G1185-I1188 PolarHBondContact O-N 3.14Å; G1185-I1189 WeakPolarHBondContact O-CG1 3.35Å; G1185-I1189 PolarHBondContact O-N 3.48Å; G1185-I1189 VanDerWaalsContact O-N 3.11Å
1186	C	96.7	Very high	94.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.9	-38.3	176.8	-67.7	0	0	0	0	112.7	N1182 A1184 I1189 V1190 V1242 F1243 L1246	N1182-C1186 WeakPolarHBondContact O-CB 3.42Å; N1182-C1186 PolarHBondContact O-N 3.39Å; N1182-C1186 PolarHBondContact O-SG 2.87Å; A1184-C1186 VanDerWaalsContact C-N 3.35Å; A1184-C1186 PolarHBondContact O-N 2.88Å; C1186-I1189 PolarHBondContact O-N 3.46Å; C1186-V1190 WeakPolarHBondContact O-CG2 3.47Å; C1186-V1190 PolarHBondContact O-N 3.37Å; C1186-V1242 HydrophobicContact CB-CB 4.25Å; C1186-V1242 HydrophobicContact CB-CG1 3.53Å; C1186-F1243 HydrophobicContact CB-CD1 3.75Å; C1186-F1243 HydrophobicContact CB-CE1 3.47Å; C1186-F1243 VanDerWaalsContact CB-CE1 3.47Å; C1186-F1243 HydrophobicContact CB-CZ 4.26Å; C1186-L1246 HydrophobicContact CB-CD1 4.22Å
1187	S	95.6	Very high	95	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.014	10%	0.1	C	C	.	.	H	α-helix	trans	-61.6	-48.1	175.8	-63.6	0	0	0	0	111.5	W1183 A1184 I1189 V1190 L1191	W1183-S1187 WeakPolarHBondContact O-CB 3.43Å; W1183-S1187 PolarHBondContact O-N 3.09Å; W1183-S1187 PolarHBondContact O-OG 3.36Å; A1184-S1187 PolarHBondContact O-N 3.2Å; S1187-I1189 VanDerWaalsContact C-N 3.31Å; S1187-I1189 PolarHBondContact O-N 3.25Å; S1187-V1190 PolarHBondContact O-N 2.94Å; S1187-L1191 WeakPolarHBondContact O-CB 3.33Å; S1187-L1191 WeakPolarHBondContact O-CG 3.38Å; S1187-L1191 PolarHBondContact O-N 2.92Å
1188	I	95.6	Very high	95	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.01	10%	0.099	C	C	.	.	H	α-helix	trans	-58.6	-44.8	177.2	-62.3	165.2	0	0	0	110.3	L965 L1021 L1128 W1133 F1151 A1184 G1185 V1190 L1191 L1192	L965-I1188 HydrophobicContact CD2-CD1 3.79Å; L965-I1188 HydrophobicContact CD2-CG1 4.2Å; L1021-I1188 HydrophobicContact CD2-CD1 3.89Å; L1128-I1188 HydrophobicContact CD1-CG2 4.11Å; L1128-I1188 HydrophobicContact CD2-CG2 4.42Å; W1133-I1188 HydrophobicContact CE3-CG2 3.98Å; W1133-I1188 HydrophobicContact CZ3-CD1 4.47Å; W1133-I1188 HydrophobicContact CZ3-CG2 3.98Å; F1151-I1188 HydrophobicContact CD1-CB 4.1Å; F1151-I1188 HydrophobicContact CD1-CG2 3.4Å; F1151-I1188 VanDerWaalsContact CD1-CG2 3.4Å; F1151-I1188 HydrophobicContact CD2-CG2 4.42Å; F1151-I1188 HydrophobicContact CE1-CB 3.68Å; F1151-I1188 HydrophobicContact CE1-CD1 4.24Å; F1151-I1188 HydrophobicContact CE1-CG2 3.45Å; F1151-I1188 VanDerWaalsContact CE1-CG2 3.45Å; F1151-I1188 HydrophobicContact CE2-CG2 4.46Å; F1151-I1188 HydrophobicContact CG-CG2 3.92Å; F1151-I1188 HydrophobicContact CZ-CB 4.24Å; F1151-I1188 HydrophobicContact CZ-CD1 3.91Å; F1151-I1188 HydrophobicContact CZ-CG2 4.01Å; A1184-I1188 WeakPolarHBondContact O-CG1 3.39Å; A1184-I1188 PolarHBondContact O-N 2.76Å; G1185-I1188 PolarHBondContact O-N 3.14Å; I1188-V1190 PolarHBondContact O-N 3.46Å; I1188-L1191 PolarHBondContact O-N 3.45Å; I1188-L1192 HydrophobicContact CG2-CD1 3.64Å; I1188-L1192 HydrophobicContact CG2-CG 4.37Å; I1188-L1192 WeakPolarHBondContact O-CB 3.28Å; I1188-L1192 WeakPolarHBondContact O-CD1 3.29Å; I1188-L1192 WeakPolarHBondContact O-CG 3.26Å; I1188-L1192 PolarHBondContact O-N 2.92Å
1189	I	96	Very high	95	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.9	-41.4	178.4	-72.6	172.1	0	0	0	113	F1151 H1152 W1155 G1185 C1186 S1187 G1193 Q1194 Q1195 F1198 F1243	F1151-I1189 HydrophobicContact CD1-CG1 3.94Å; F1151-I1189 HydrophobicContact CE1-CG1 4.02Å; H1152-I1189 HydrophobicContact CB-CD1 4.05Å; H1152-I1189 HydrophobicContact CB-CG1 3.98Å; W1155-I1189 HydrophobicContact CB-CD1 3.81Å; W1155-I1189 HydrophobicContact CG-CD1 3.62Å; G1185-I1189 WeakPolarHBondContact O-CG1 3.35Å; G1185-I1189 PolarHBondContact O-N 3.48Å; G1185-I1189 VanDerWaalsContact O-N 3.11Å; C1186-I1189 PolarHBondContact O-N 3.46Å; S1187-I1189 VanDerWaalsContact C-N 3.31Å; S1187-I1189 PolarHBondContact O-N 3.25Å; I1189-G1193 PolarHBondContact O-N 2.94Å; I1189-Q1194 HydrophobicContact CG2-CB 4.19Å; I1189-Q1194 PolarHBondContact O-N 2.88Å; I1189-Q1195 VanDerWaalsContact CG2-CA 3.42Å; I1189-Q1195 HydrophobicContact CG2-CB 3.92Å; I1189-Q1195 PolarHBondContact O-N 3.42Å; I1189-F1198 HydrophobicContact CD1-CD2 4.18Å; I1189-F1198 HydrophobicContact CD1-CE2 4.47Å; I1189-F1198 HydrophobicContact CD1-CG 4.22Å; I1189-F1198 HydrophobicContact CG2-CB 4.29Å; I1189-F1243 HydrophobicContact CB-CE1 4.16Å; I1189-F1243 HydrophobicContact CG2-CE1 3.86Å; I1189-F1243 HydrophobicContact CG2-CZ 3.96Å
1190	V	94.7	Very high	94.8	Very high	17 Å²	17	26.2 Å²	26.2	10%	0.103	13%	0.129	C	C	.	.	H	α-helix	trans	-69.8	-47.5	178.2	170.5	0	0	0	0	110.9	C1186 S1187 I1188 L1192 G1193 Q1195 F1243 L1246 M1250	C1186-V1190 WeakPolarHBondContact O-CG2 3.47Å; C1186-V1190 PolarHBondContact O-N 3.37Å; S1187-V1190 PolarHBondContact O-N 2.94Å; I1188-V1190 PolarHBondContact O-N 3.46Å; V1190-L1192 PolarHBondContact O-N 3.22Å; V1190-G1193 PolarHBondContact O-N 2.62Å; V1190-Q1195 HydrophobicContact CG2-CB 4.49Å; V1190-F1243 HydrophobicContact CG2-CD1 3.48Å; V1190-F1243 VanDerWaalsContact CG2-CD1 3.48Å; V1190-F1243 HydrophobicContact CG2-CE1 3.99Å; V1190-F1243 HydrophobicContact CG2-CG 4.47Å; V1190-L1246 HydrophobicContact CB-CB 4.49Å; V1190-L1246 HydrophobicContact CB-CD1 4.36Å; V1190-L1246 HydrophobicContact CG1-CB 4.2Å; V1190-L1246 HydrophobicContact CG2-CB 4.25Å; V1190-L1246 HydrophobicContact CG2-CD1 4.02Å; V1190-M1250 HydrophobicContact CG1-CG 4.43Å
1191	L	93.5	Very high	94.8	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.026	14%	0.135	C	C	.	.	H	α-helix	trans	-66.4	-26.7	-177	-61.7	174.7	0	0	0	112.8	L1121 I1124 R1125 L1128 S1187 I1188 M1250	L1121-L1191 HydrophobicContact CB-CD2 4.12Å; I1124-L1191 HydrophobicContact CB-CD1 3.98Å; I1124-L1191 HydrophobicContact CG2-CD1 3.64Å; R1125-L1191 HydrophobicContact CB-CB 4.16Å; R1125-L1191 HydrophobicContact CB-CD2 4.17Å; R1125-L1191 HydrophobicContact CB-CG 4.49Å; R1125-L1191 HydrophobicContact CG-CB 4.11Å; R1125-L1191 PolarHBondContact NE-O 3.43Å; L1128-L1191 HydrophobicContact CD1-CB 4.19Å; S1187-L1191 WeakPolarHBondContact O-CB 3.33Å; S1187-L1191 WeakPolarHBondContact O-CG 3.38Å; S1187-L1191 PolarHBondContact O-N 2.92Å; I1188-L1191 PolarHBondContact O-N 3.45Å; L1191-M1250 HydrophobicContact CD2-SD 3.88Å
1192	L	93.5	Very high	94.8	Very high	14 Å²	14	27.7 Å²	27.7	7%	0.073	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-6.3	170.7	-66.6	172.4	0	0	0	114.3	L1128 W1133 R1134 F1151 I1188 V1190 Q1194	L1128-L1192 HydrophobicContact CB-CD2 4.08Å; L1128-L1192 HydrophobicContact CD1-CD2 4.36Å; L1128-L1192 HydrophobicContact CD1-CG 4.23Å; W1133-L1192 HydrophobicContact CB-CD1 3.85Å; W1133-L1192 HydrophobicContact CB-CD2 3.72Å; W1133-L1192 HydrophobicContact CB-CG 4.45Å; W1133-L1192 HydrophobicContact CE3-CD1 4.41Å; R1134-L1192 HydrophobicContact CG-CD2 4.13Å; F1151-L1192 HydrophobicContact CB-CD1 3.98Å; F1151-L1192 HydrophobicContact CD1-CD1 4.48Å; F1151-L1192 HydrophobicContact CG-CD1 4.47Å; I1188-L1192 HydrophobicContact CG2-CD1 3.64Å; I1188-L1192 HydrophobicContact CG2-CG 4.37Å; I1188-L1192 WeakPolarHBondContact O-CB 3.28Å; I1188-L1192 WeakPolarHBondContact O-CD1 3.29Å; I1188-L1192 WeakPolarHBondContact O-CG 3.26Å; I1188-L1192 PolarHBondContact O-N 2.92Å; V1190-L1192 PolarHBondContact O-N 3.22Å; L1192-Q1194 VanDerWaalsContact C-N 3.29Å; L1192-Q1194 HydrophobicContact CB-CB 4.45Å; L1192-Q1194 HydrophobicContact CB-CG 4.01Å; L1192-Q1194 PolarHBondContact O-N 3.05Å
1193	G	91.4	Very high	94.8	Very high	42 Å²	42	27.5 Å²	27.5	43%	0.433	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	29.1	-175.8	0	0	0	0	0	113.5	I1189 V1190 R1197	I1189-G1193 PolarHBondContact O-N 2.94Å; V1190-G1193 PolarHBondContact O-N 2.62Å; G1193-R1197 PolarHBondContact O-NH1 3.39Å
1194	Q	94.2	Very high	94.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.132	C	C	.	.			trans	-97	-14.9	-175.2	-78.5	174	8.2	0	0	113.9	W1133 H1152 I1189 L1192 R1196 R1197 F1198	W1133-Q1194 PolarHBondContact O-NE2 3.42Å; H1152-Q1194 HydrophobicContact CB-CB 4.02Å; I1189-Q1194 HydrophobicContact CG2-CB 4.19Å; I1189-Q1194 PolarHBondContact O-N 2.88Å; L1192-Q1194 VanDerWaalsContact C-N 3.29Å; L1192-Q1194 HydrophobicContact CB-CB 4.45Å; L1192-Q1194 HydrophobicContact CB-CG 4.01Å; L1192-Q1194 PolarHBondContact O-N 3.05Å; Q1194-R1196 PolarHBondContact O-N 3.35Å; Q1194-R1197 VanDerWaalsContact CG-NH2 3.33Å; Q1194-R1197 WeakPolarHBondContact O-CA 3.43Å; Q1194-R1197 WeakPolarHBondContact O-CB 3.39Å; Q1194-R1197 PolarHBondContact O-N 2.7Å; Q1194-F1198 PolarHBondContact O-N 3.1Å
1195	Q	94	Very high	94.7	Very high	35 Å²	35	27.4 Å²	27.4	16%	0.164	13%	0.134	C	C	.	.	H	α-helix	trans	-50.1	-48.3	-174.5	-169.2	-147.4	-34.7	0	0	114	I1189 V1190 R1197 F1198 D1199 F1243 N1247	I1189-Q1195 VanDerWaalsContact CG2-CA 3.42Å; I1189-Q1195 HydrophobicContact CG2-CB 3.92Å; I1189-Q1195 PolarHBondContact O-N 3.42Å; V1190-Q1195 HydrophobicContact CG2-CB 4.49Å; Q1195-R1197 PolarHBondContact O-N 3.44Å; Q1195-R1197 VanDerWaalsContact O-N 3.14Å; Q1195-F1198 WeakPolarHBondContact O-CB 3.41Å; Q1195-F1198 PolarHBondContact O-N 2.65Å; Q1195-F1198 VanDerWaalsContact O-N 3.08Å; Q1195-D1199 PolarHBondContact NE2-OD2 3.21Å; Q1195-D1199 PolarHBondContact O-N 3.24Å; Q1195-F1243 HydrophobicContact CG-CB 4.37Å; Q1195-F1243 HydrophobicContact CG-CD1 3.84Å; Q1195-F1243 HydrophobicContact CG-CD2 3.66Å; Q1195-F1243 HydrophobicContact CG-CE1 3.89Å; Q1195-F1243 HydrophobicContact CG-CE2 3.75Å; Q1195-F1243 HydrophobicContact CG-CG 3.72Å; Q1195-F1243 HydrophobicContact CG-CZ 3.86Å; Q1195-N1247 PolarHBondContact OE1-ND2 2.94Å
1196	R	93.2	Very high	94.7	Very high	207 Å²	207	28.1 Å²	28.1	78%	0.781	14%	0.137	S	C	*	.	H	α-helix	trans	-61	-25.1	179.2	-73.3	-178.6	-83.1	-173.8	-7.8	113.5	Q1194 L1200	Q1194-R1196 PolarHBondContact O-N 3.35Å; R1196-L1200 WeakPolarHBondContact O-CD1 3.41Å; R1196-L1200 WeakPolarHBondContact O-CG 3.33Å
1197	R	94.1	Very high	94.6	Very high	55 Å²	55	28.1 Å²	28.1	21%	0.208	14%	0.137	C	C	.	.	H	α-helix	trans	-85.2	-37.8	174.7	-62	-167.8	-69.9	-68.6	12.3	111.2	M1143 E1150 G1193 Q1194 Q1195 L1200 F1201	M1143-R1197 HydrophobicContact CE-CG 3.86Å; E1150-R1197 IonicContact OE1-CZ 3.84Å; E1150-R1197 IonicContact OE1-NE 2.72Å; E1150-R1197 PolarHBondContact OE1-NE 3.21Å; E1150-R1197 IonicContact OE1-NH2 3.71Å; E1150-R1197 PolarHBondContact OE1-NH2 3.02Å; E1150-R1197 IonicContact OE2-CZ 2.68Å; E1150-R1197 IonicContact OE2-NE 3.67Å; E1150-R1197 PolarHBondContact OE2-NE 2.98Å; E1150-R1197 IonicContact OE2-NH2 3.66Å; G1193-R1197 PolarHBondContact O-NH1 3.39Å; Q1194-R1197 VanDerWaalsContact CG-NH2 3.33Å; Q1194-R1197 WeakPolarHBondContact O-CA 3.43Å; Q1194-R1197 WeakPolarHBondContact O-CB 3.39Å; Q1194-R1197 PolarHBondContact O-N 2.7Å; Q1195-R1197 PolarHBondContact O-N 3.44Å; Q1195-R1197 VanDerWaalsContact O-N 3.14Å; R1197-L1200 PolarHBondContact O-N 2.97Å; R1197-F1201 HydrophobicContact CB-CD2 4.29Å; R1197-F1201 WeakPolarHBondContact O-CB 3.29Å; R1197-F1201 WeakPolarHBondContact O-CD2 3.41Å; R1197-F1201 PolarHBondContact O-N 3.32Å
1198	F	95.7	Very high	94.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.2	-51.8	171.5	179.9	-110.6	0	0	0	111.9	H1152 W1155 I1189 Q1194 Q1195 L1200 F1201 D1202 Y1205 F1243	H1152-F1198 HydrophobicContact CB-CB 3.95Å; H1152-F1198 HydrophobicContact CB-CD2 4.12Å; H1152-F1198 HydrophobicContact CB-CG 4.42Å; H1152-F1198 WeakPolarHBondContact ND1-CA 3.17Å; H1152-F1198 PolarHBondContact ND1-N 3.45Å; W1155-F1198 AromaticContact CD1-CE2 3.61Å; W1155-F1198 AromaticContact CD1-CZ 3.67Å; I1189-F1198 HydrophobicContact CD1-CD2 4.18Å; I1189-F1198 HydrophobicContact CD1-CE2 4.47Å; I1189-F1198 HydrophobicContact CD1-CG 4.22Å; I1189-F1198 HydrophobicContact CG2-CB 4.29Å; Q1194-F1198 PolarHBondContact O-N 3.1Å; Q1195-F1198 WeakPolarHBondContact O-CB 3.41Å; Q1195-F1198 PolarHBondContact O-N 2.65Å; Q1195-F1198 VanDerWaalsContact O-N 3.08Å; F1198-L1200 PolarHBondContact O-N 3.1Å; F1198-F1201 PolarHBondContact O-N 2.99Å; F1198-F1201 VanDerWaalsContact O-N 3.14Å; F1198-D1202 HydrophobicContact CD2-CB 4Å; F1198-D1202 HydrophobicContact CE2-CB 3.75Å; F1198-D1202 HydrophobicContact CZ-CB 4.14Å; F1198-D1202 VanDerWaalsContact O-CB 3.27Å; F1198-D1202 WeakPolarHBondContact O-CB 3.39Å; F1198-D1202 PolarHBondContact O-N 3.32Å; F1198-Y1205 HydrophobicContact CD1-CE2 4.36Å; F1198-Y1205 AromaticContact CE1-CE2 3.98Å; F1198-Y1205 HydrophobicContact CE1-CE2 3.98Å; F1198-Y1205 AromaticContact CE1-CZ 3.85Å; F1198-F1243 AromaticContact CD1-CE2 3.72Å; F1198-F1243 HydrophobicContact CD1-CE2 3.72Å; F1198-F1243 AromaticContact CD1-CZ 3.7Å; F1198-F1243 HydrophobicContact CD1-CZ 3.7Å; F1198-F1243 AromaticContact CE1-CE2 3.87Å; F1198-F1243 HydrophobicContact CE1-CE2 3.87Å; F1198-F1243 AromaticContact CE1-CZ 3.92Å; F1198-F1243 HydrophobicContact CE1-CZ 3.92Å
1199	D	94	Very high	94.5	Very high	52 Å²	52	33.4 Å²	33.4	28%	0.278	16%	0.16	S	C	.	.	H	α-helix	trans	-61.1	-22	-178.8	-66.3	-28.4	0	0	0	113.3	Q1195	Q1195-D1199 PolarHBondContact NE2-OD2 3.21Å; Q1195-D1199 PolarHBondContact O-N 3.24Å
1200	L	92.7	Very high	94.4	Very high	101 Å²	101	33.4 Å²	33.4	53%	0.529	16%	0.16	S	C	.	.	H	α-helix	trans	-91.6	-37	175.8	-70	173.9	0	0	0	113.7	M1143 R1196 R1197 F1198	M1143-L1200 HydrophobicContact CE-CD1 4.5Å; R1196-L1200 WeakPolarHBondContact O-CD1 3.41Å; R1196-L1200 WeakPolarHBondContact O-CG 3.33Å; R1197-L1200 PolarHBondContact O-N 2.97Å; F1198-L1200 PolarHBondContact O-N 3.1Å
1201	F	95.5	Very high	94.4	Very high	31 Å²	31	33.2 Å²	33.2	14%	0.136	16%	0.158	C	C	.	.	H	α-helix	trans	-116.9	4.4	-166.5	-57.6	-44.3	0	0	0	115.6	L986 M1143 H1144 V1145 R1153 R1197 F1198 F1203	L986-F1201 HydrophobicContact CD1-CD1 4.35Å; M1143-F1201 HydrophobicContact CE-CE2 3.39Å; M1143-F1201 HydrophobicContact CE-CZ 3.72Å; H1144-F1201 VanDerWaalsContact O-CE2 3.27Å; H1144-F1201 WeakPolarHBondContact O-CE2 3.49Å; V1145-F1201 HydrophobicContact CB-CZ 4.15Å; V1145-F1201 HydrophobicContact CG1-CE1 3.89Å; V1145-F1201 HydrophobicContact CG1-CZ 3.87Å; V1145-F1201 HydrophobicContact CG2-CE2 4.42Å; V1145-F1201 HydrophobicContact CG2-CZ 3.98Å; R1153-F1201 PolarHBondContact NH1-O 2.91Å; R1197-F1201 HydrophobicContact CB-CD2 4.29Å; R1197-F1201 WeakPolarHBondContact O-CB 3.29Å; R1197-F1201 WeakPolarHBondContact O-CD2 3.41Å; R1197-F1201 PolarHBondContact O-N 3.32Å; F1198-F1201 PolarHBondContact O-N 2.99Å; F1198-F1201 VanDerWaalsContact O-N 3.14Å; F1201-F1203 PolarHBondContact O-N 3.39Å
1202	D	96.1	Very high	94.4	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	18%	0.182	C	C	.	.			trans	-64.9	132.6	173.3	171.7	71.1	0	0	0	112.1	S1156 Q1159 F1198 C1204 Y1205 H1206	S1156-D1202 VanDerWaalsContact CA-OD1 3.27Å; S1156-D1202 WeakPolarHBondContact CA-OD1 3.03Å; S1156-D1202 VanDerWaalsContact CB-OD1 3.26Å; S1156-D1202 WeakPolarHBondContact CB-OD1 3.48Å; S1156-D1202 PolarHBondContact OG-OD1 3.47Å; Q1159-D1202 PolarHBondContact NE2-OD1 3.25Å; Q1159-D1202 PolarHBondContact NE2-OD2 2.97Å; F1198-D1202 HydrophobicContact CD2-CB 4Å; F1198-D1202 HydrophobicContact CE2-CB 3.75Å; F1198-D1202 HydrophobicContact CZ-CB 4.14Å; F1198-D1202 VanDerWaalsContact O-CB 3.27Å; F1198-D1202 WeakPolarHBondContact O-CB 3.39Å; F1198-D1202 PolarHBondContact O-N 3.32Å; D1202-C1204 VanDerWaalsContact C-N 3.32Å; D1202-C1204 PolarHBondContact O-N 3.13Å; D1202-C1204 WeakPolarHBondContact OD2-CA 3.47Å; D1202-C1204 VanDerWaalsContact OD2-CB 3.25Å; D1202-C1204 WeakPolarHBondContact OD2-CB 3.46Å; D1202-C1204 PolarHBondContact OD2-N 3.49Å; D1202-Y1205 HydrophobicContact CB-CD2 4.09Å; D1202-Y1205 HydrophobicContact CB-CG 4.02Å; D1202-Y1205 WeakPolarHBondContact OD2-CB 3.34Å; D1202-Y1205 WeakPolarHBondContact OD2-CD1 3.35Å; D1202-Y1205 VanDerWaalsContact OD2-CG 3.29Å; D1202-Y1205 PolarHBondContact OD2-N 2.97Å; D1202-H1206 PolarHBondContact O-N 2.92Å; D1202-H1206 VanDerWaalsContact O-N 3.1Å
1203	F	95.5	Very high	94.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.9	-39.7	-176.5	-51.2	-55.8	0	0	0	111.8	M980 C984 L986 F1000 L1004 S1156 A1157 F1201 L1207	M980-F1203 HydrophobicContact CE-CE2 4.26Å; M980-F1203 HydrophobicContact CE-CZ 4.34Å; C984-F1203 HydrophobicContact CB-CE1 3.94Å; C984-F1203 HydrophobicContact CB-CZ 4.16Å; C984-F1203 VanDerWaalsContact SG-CE1 3.51Å; L986-F1203 HydrophobicContact CD2-CD1 4.17Å; F1000-F1203 HydrophobicContact CD1-CB 4.07Å; F1000-F1203 AromaticContact CD1-CD1 3.94Å; F1000-F1203 HydrophobicContact CD1-CD1 3.94Å; F1000-F1203 HydrophobicContact CD1-CG 4.18Å; F1000-F1203 HydrophobicContact CD2-CB 4.08Å; F1000-F1203 HydrophobicContact CE1-CB 3.98Å; F1000-F1203 AromaticContact CE1-CD1 3.5Å; F1000-F1203 HydrophobicContact CE1-CD1 3.5Å; F1000-F1203 VanDerWaalsContact CE1-CD1 3.5Å; F1000-F1203 HydrophobicContact CE1-CE1 4.35Å; F1000-F1203 HydrophobicContact CE1-CG 4.07Å; F1000-F1203 HydrophobicContact CE2-CB 3.95Å; F1000-F1203 WeakPolarHBondContact CE2-O 3.4Å; F1000-F1203 HydrophobicContact CG-CB 4.15Å; F1000-F1203 HydrophobicContact CZ-CB 3.91Å; F1000-F1203 HydrophobicContact CZ-CD1 4.02Å; F1000-F1203 HydrophobicContact CZ-CG 4.43Å; L1004-F1203 HydrophobicContact CD1-CD2 3.71Å; L1004-F1203 HydrophobicContact CD1-CE2 4.1Å; L1004-F1203 HydrophobicContact CD1-CG 4.31Å; L1004-F1203 HydrophobicContact CD2-CD2 4.37Å; L1004-F1203 HydrophobicContact CD2-CE2 3.89Å; L1004-F1203 HydrophobicContact CD2-CZ 4.33Å; S1156-F1203 VanDerWaalsContact CB-CD2 3.45Å; A1157-F1203 HydrophobicContact CB-CE2 4.23Å; F1201-F1203 PolarHBondContact O-N 3.39Å; F1203-L1207 WeakPolarHBondContact O-CB 3.34Å; F1203-L1207 PolarHBondContact O-N 3.33Å
1204	C	95.6	Very high	94.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-72.5	-44.2	-177.7	-71.7	0	0	0	0	111.9	Q1159 F1160 D1202 H1206 L1207 L1208 I1232	Q1159-C1204 HydrophobicContact CG-CB 4.2Å; F1160-C1204 WeakPolarHBondContact CA-SG 3.3Å; D1202-C1204 VanDerWaalsContact C-N 3.32Å; D1202-C1204 PolarHBondContact O-N 3.13Å; D1202-C1204 WeakPolarHBondContact OD2-CA 3.47Å; D1202-C1204 VanDerWaalsContact OD2-CB 3.25Å; D1202-C1204 WeakPolarHBondContact OD2-CB 3.46Å; D1202-C1204 PolarHBondContact OD2-N 3.49Å; C1204-H1206 PolarHBondContact O-N 3.05Å; C1204-L1207 PolarHBondContact O-N 2.93Å; C1204-L1208 WeakPolarHBondContact O-CB 3.28Å; C1204-L1208 PolarHBondContact O-N 2.98Å; C1204-I1232 HydrophobicContact CB-CB 4.34Å; C1204-I1232 HydrophobicContact CB-CD1 3.78Å; C1204-I1232 HydrophobicContact CB-CG1 3.75Å; C1204-I1232 HydrophobicContact CB-CG2 3.67Å; C1204-I1232 WeakPolarHBondContact O-CG2 3.33Å
1205	Y	96.2	Very high	94.1	Very high	12 Å²	12	48.9 Å²	48.9	5%	0.047	23%	0.23	C	C	.	.	H	α-helix	trans	-62.5	-35.7	177.3	-69.3	8.4	0	0	0	110.7	F1198 D1202 K1209 I1232 Q1236 N1239	F1198-Y1205 HydrophobicContact CD1-CE2 4.36Å; F1198-Y1205 AromaticContact CE1-CE2 3.98Å; F1198-Y1205 HydrophobicContact CE1-CE2 3.98Å; F1198-Y1205 AromaticContact CE1-CZ 3.85Å; D1202-Y1205 HydrophobicContact CB-CD2 4.09Å; D1202-Y1205 HydrophobicContact CB-CG 4.02Å; D1202-Y1205 WeakPolarHBondContact OD2-CB 3.34Å; D1202-Y1205 WeakPolarHBondContact OD2-CD1 3.35Å; D1202-Y1205 VanDerWaalsContact OD2-CG 3.29Å; D1202-Y1205 PolarHBondContact OD2-N 2.97Å; Y1205-K1209 VanDerWaalsContact O-CB 3.31Å; Y1205-K1209 WeakPolarHBondContact O-CB 3.41Å; Y1205-K1209 PolarHBondContact O-N 3.2Å; Y1205-I1232 HydrophobicContact CD1-CG2 4.39Å; Y1205-Q1236 HydrophobicContact CD1-CB 4.1Å; Y1205-Q1236 HydrophobicContact CD1-CG 4.11Å; Y1205-Q1236 HydrophobicContact CE1-CB 3.52Å; Y1205-Q1236 HydrophobicContact CE1-CG 3.67Å; Y1205-Q1236 HydrophobicContact CE2-CG 4.3Å; Y1205-Q1236 VanDerWaalsContact CG-NE2 3.34Å; Y1205-N1239 WeakPolarHBondContact OH-CB 3.33Å; Y1205-N1239 PolarHBondContact OH-ND2 2.75Å
1206	H	95.3	Very high	94	Very high	15 Å²	15	51.4 Å²	51.4	7%	0.069	24%	0.241	C	C	.	.	H	α-helix	trans	-66.7	-49.8	170.9	-172.4	62.8	0	0	0	112.3	L986 P987 D1202 C1204 L1208 K1209 V1210	L986-H1206 HydrophobicContact CD1-CB 4.12Å; L986-H1206 HydrophobicContact CD2-CB 3.88Å; L986-H1206 HydrophobicContact CG-CB 4.5Å; P987-H1206 PolarHBondContact O-CE1 3.38Å; P987-H1206 PolarHBondContact O-NE2 3.07Å; D1202-H1206 PolarHBondContact O-N 2.92Å; D1202-H1206 VanDerWaalsContact O-N 3.1Å; C1204-H1206 PolarHBondContact O-N 3.05Å; H1206-L1208 VanDerWaalsContact C-N 3.33Å; H1206-L1208 PolarHBondContact O-N 3.04Å; H1206-K1209 WeakPolarHBondContact O-CB 3.13Å; H1206-K1209 PolarHBondContact O-N 3.18Å; H1206-V1210 WeakPolarHBondContact O-CG2 3.32Å; H1206-V1210 PolarHBondContact O-N 3.17Å
1207	L	94.6	Very high	93.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-55.7	-46.2	176.2	176.9	60.3	0	0	0	112	S993 I996 L997 F1000 F1203 C1204 K1209 V1210 Q1211 L1225 M1228 I1232	S993-L1207 VanDerWaalsContact O-CD1 3.25Å; S993-L1207 WeakPolarHBondContact O-CD1 3.25Å; I996-L1207 HydrophobicContact CB-CD1 4.17Å; I996-L1207 HydrophobicContact CG2-CB 4.35Å; I996-L1207 HydrophobicContact CG2-CD1 3.93Å; L997-L1207 HydrophobicContact CB-CD1 4.02Å; L997-L1207 HydrophobicContact CB-CD2 4.14Å; L997-L1207 HydrophobicContact CD1-CD2 3.88Å; L997-L1207 HydrophobicContact CG-CD2 4.49Å; F1000-L1207 HydrophobicContact CE2-CB 4.32Å; F1203-L1207 WeakPolarHBondContact O-CB 3.34Å; F1203-L1207 PolarHBondContact O-N 3.33Å; C1204-L1207 PolarHBondContact O-N 2.93Å; L1207-K1209 VanDerWaalsContact C-N 3.32Å; L1207-K1209 PolarHBondContact O-N 2.93Å; L1207-V1210 PolarHBondContact O-N 3.36Å; L1207-Q1211 VanDerWaalsContact O-CB 3.3Å; L1207-Q1211 WeakPolarHBondContact O-CB 3.45Å; L1207-Q1211 PolarHBondContact O-N 3.37Å; L1207-L1225 HydrophobicContact CD1-CD1 3.94Å; L1207-L1225 HydrophobicContact CD2-CD1 4.43Å; L1207-L1225 HydrophobicContact CG-CD1 4.4Å; L1207-M1228 HydrophobicContact CD2-CG 4.18Å; L1207-I1232 HydrophobicContact CD2-CD1 3.99Å; L1207-I1232 HydrophobicContact CG-CD1 4.43Å
1208	L	95.2	Very high	93.7	Very high	5 Å²	5	48 Å²	48	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-61.8	-37.4	175.9	174.8	62.1	0	0	0	112.3	C1204 H1206 R1212 A1229 I1232 R1233	C1204-L1208 WeakPolarHBondContact O-CB 3.28Å; C1204-L1208 PolarHBondContact O-N 2.98Å; H1206-L1208 VanDerWaalsContact C-N 3.33Å; H1206-L1208 PolarHBondContact O-N 3.04Å; L1208-R1212 HydrophobicContact CD1-CG 4.11Å; L1208-R1212 WeakPolarHBondContact O-CB 3.4Å; L1208-R1212 VanDerWaalsContact O-CG 3.24Å; L1208-R1212 WeakPolarHBondContact O-CG 3.49Å; L1208-R1212 PolarHBondContact O-N 3.4Å; L1208-A1229 HydrophobicContact CD1-CB 4.03Å; L1208-I1232 HydrophobicContact CB-CG2 3.88Å; L1208-I1232 HydrophobicContact CD2-CG2 3.98Å; L1208-R1233 HydrophobicContact CD1-CB 4.41Å; L1208-R1233 HydrophobicContact CD2-CB 3.89Å
1209	K	94.1	Very high	93.5	Very high	109 Å²	109	53.9 Å²	53.9	47%	0.474	27%	0.27	S	S	.	.	H	α-helix	trans	-64.6	-45.4	177.8	-171.8	-174.7	-62.2	166.5	0	111	Y1205 H1206 L1207 Q1213	Y1205-K1209 VanDerWaalsContact O-CB 3.31Å; Y1205-K1209 WeakPolarHBondContact O-CB 3.41Å; Y1205-K1209 PolarHBondContact O-N 3.2Å; H1206-K1209 WeakPolarHBondContact O-CB 3.13Å; H1206-K1209 PolarHBondContact O-N 3.18Å; L1207-K1209 VanDerWaalsContact C-N 3.32Å; L1207-K1209 PolarHBondContact O-N 2.93Å; K1209-Q1213 PolarHBondContact O-N 3.29Å
1210	V	94.3	Very high	93.3	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-71.1	-41.8	177.4	-170.2	0	0	0	0	111.7	H989 I996 H1206 L1207 R1212 Q1213 D1214	H989-V1210 HydrophobicContact CB-CG1 4.42Å; I996-V1210 HydrophobicContact CD1-CB 3.81Å; I996-V1210 HydrophobicContact CD1-CG1 3.81Å; I996-V1210 HydrophobicContact CD1-CG2 3.47Å; I996-V1210 VanDerWaalsContact CD1-CG2 3.47Å; H1206-V1210 WeakPolarHBondContact O-CG2 3.32Å; H1206-V1210 PolarHBondContact O-N 3.17Å; L1207-V1210 PolarHBondContact O-N 3.36Å; V1210-R1212 VanDerWaalsContact C-N 3.26Å; V1210-R1212 PolarHBondContact O-N 2.96Å; V1210-Q1213 WeakPolarHBondContact O-CA 3.23Å; V1210-Q1213 WeakPolarHBondContact O-CB 3.23Å; V1210-Q1213 PolarHBondContact O-N 3.45Å; V1210-D1214 PolarHBondContact O-N 2.97Å
1211	Q	93.5	Very high	92.9	Very high	12 Å²	12	53.9 Å²	53.9	6%	0.056	26%	0.264	C	S	.	.	H	α-helix	trans	-61.1	-35.2	178.4	-164	-75.2	-34.8	0	0	112.2	L1207 Q1213 D1214 G1215 K1216 L1225 A1229	L1207-Q1211 VanDerWaalsContact O-CB 3.3Å; L1207-Q1211 WeakPolarHBondContact O-CB 3.45Å; L1207-Q1211 PolarHBondContact O-N 3.37Å; Q1211-Q1213 VanDerWaalsContact C-N 3.3Å; Q1211-Q1213 PolarHBondContact O-N 3.05Å; Q1211-D1214 WeakPolarHBondContact CA-OD1 2.95Å; Q1211-G1215 VanDerWaalsContact O-CA 3.3Å; Q1211-G1215 WeakPolarHBondContact O-CA 3.5Å; Q1211-G1215 PolarHBondContact O-N 3.45Å; Q1211-K1216 PolarHBondContact NE2-O 2.68Å; Q1211-L1225 HydrophobicContact CG-CD1 4.15Å; Q1211-L1225 HydrophobicContact CG-CD2 4.4Å; Q1211-L1225 HydrophobicContact CG-CG 4.01Å; Q1211-A1229 HydrophobicContact CB-CB 4.29Å; Q1211-A1229 HydrophobicContact CG-CB 3.92Å
1212	R	93.1	Very high	92.5	Very high	142 Å²	142	59.5 Å²	59.5	54%	0.536	30%	0.295	S	S	.	.	H	α-helix	trans	-69.2	-24.9	172.6	-78.3	173.3	169.2	-170.4	-5.8	114.2	L1208 V1210	L1208-R1212 HydrophobicContact CD1-CG 4.11Å; L1208-R1212 WeakPolarHBondContact O-CB 3.4Å; L1208-R1212 VanDerWaalsContact O-CG 3.24Å; L1208-R1212 WeakPolarHBondContact O-CG 3.49Å; L1208-R1212 PolarHBondContact O-N 3.4Å; V1210-R1212 VanDerWaalsContact C-N 3.26Å; V1210-R1212 PolarHBondContact O-N 2.96Å
1213	Q	91.4	Very high	92.3	Very high	139 Å²	139	59.6 Å²	59.6	65%	0.65	30%	0.296	S	S	*	.	H	α-helix	trans	-87.6	-42.2	179.8	-179.1	175.8	-18.1	0	0	112.1	H989 K1209 V1210 Q1211	H989-Q1213 PolarHBondContact CD2-OE1 3.39Å; K1209-Q1213 PolarHBondContact O-N 3.29Å; V1210-Q1213 WeakPolarHBondContact O-CA 3.23Å; V1210-Q1213 WeakPolarHBondContact O-CB 3.23Å; V1210-Q1213 PolarHBondContact O-N 3.45Å; Q1211-Q1213 VanDerWaalsContact C-N 3.3Å; Q1211-Q1213 PolarHBondContact O-N 3.05Å
1214	D	92.6	Very high	92.2	Very high	51 Å²	51	61 Å²	61	27%	0.273	31%	0.305	S	S	.	.	H	α-helix	trans	-93.5	-17	-178.1	76.1	-1.5	0	0	0	114.3	G992 S993 V1210 Q1211 K1216	G992-D1214 VanDerWaalsContact CA-OD2 3.32Å; G992-D1214 WeakPolarHBondContact CA-OD2 3.35Å; S993-D1214 PolarHBondContact N-OD2 2.99Å; S993-D1214 VanDerWaalsContact OG-CG 3.26Å; S993-D1214 PolarHBondContact OG-OD1 3.47Å; S993-D1214 PolarHBondContact OG-OD2 3.23Å; S993-D1214 VanDerWaalsContact OG-OD2 3.07Å; V1210-D1214 PolarHBondContact O-N 2.97Å; Q1211-D1214 WeakPolarHBondContact CA-OD1 2.95Å; D1214-K1216 HydrophobicContact CB-CG 4.3Å; D1214-K1216 PolarHBondContact O-N 2.74Å; D1214-K1216 PolarHBondContact OD1-N 2.91Å; D1214-K1216 WeakPolarHBondContact OD2-CD 3.45Å
1215	G	90.3	Very high	92	Very high	58 Å²	58	61 Å²	61	60%	0.598	31%	0.305	S	S	*	.			trans	68.4	10.4	175.2	0	0	0	0	0	115	Q1211	Q1211-G1215 VanDerWaalsContact O-CA 3.3Å; Q1211-G1215 WeakPolarHBondContact O-CA 3.5Å; Q1211-G1215 PolarHBondContact O-N 3.45Å
1216	K	91.1	Very high	91.8	Very high	89 Å²	89	64.3 Å²	64.3	39%	0.387	32%	0.32	S	S	.	.			trans	-71.8	149.8	-173.7	-65.5	-175.4	179.4	-172.6	0	112.6	P994 Q1211 D1214 L1225	P994-K1216 HydrophobicContact CG-CB 4.01Å; P994-K1216 HydrophobicContact CG-CD 3.67Å; Q1211-K1216 PolarHBondContact NE2-O 2.68Å; D1214-K1216 HydrophobicContact CB-CG 4.3Å; D1214-K1216 PolarHBondContact O-N 2.74Å; D1214-K1216 PolarHBondContact OD1-N 2.91Å; D1214-K1216 WeakPolarHBondContact OD2-CD 3.45Å; K1216-L1225 HydrophobicContact CB-CD2 4.39Å
1217	D	90.8	Very high	91.7	Very high	99 Å²	99	69.9 Å²	69.9	53%	0.529	34%	0.343	S	S	.	.			trans	-139.8	104.3	171.4	-172.5	21.6	0	0	0	109.4	K1226	D1217-K1226 HydrophobicContact CB-CB 3.97Å; D1217-K1226 WeakPolarHBondContact OD1-CB 3.2Å; D1217-K1226 PolarHBondContact OD1-N 2.92Å; D1217-K1226 VanDerWaalsContact OD2-CB 3.27Å; D1217-K1226 WeakPolarHBondContact OD2-CB 3.27Å
1218	E	91.1	Very high	91.6	Very high	90 Å²	90	69.9 Å²	69.9	42%	0.421	34%	0.343	S	S	.	.			trans	-131.1	153.7	-179.9	-68.1	175.1	-146	0	0	108.6	P994 I1220 L1225	P994-E1218 HydrophobicContact CB-CB 4.24Å; P994-E1218 HydrophobicContact CB-CG 4.48Å; P994-E1218 WeakPolarHBondContact CB-OE2 3.45Å; P994-E1218 HydrophobicContact CG-CB 4.21Å; P994-E1218 VanDerWaalsContact CG-CD 3.4Å; P994-E1218 HydrophobicContact CG-CG 4.07Å; P994-E1218 WeakPolarHBondContact CG-OE1 3.28Å; E1218-I1220 HydrophobicContact CB-CD1 4.08Å; E1218-I1220 HydrophobicContact CB-CG1 4.33Å; E1218-L1225 WeakPolarHBondContact O-CB 3.32Å; E1218-L1225 PolarHBondContact O-N 3.15Å
1219	I	91.3	Very high	91.6	Very high	125 Å²	125	69.6 Å²	69.6	64%	0.641	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	103.6	175.1	-56.5	172.9	0	0	0	108.3	P1224	I1219-P1224 HydrophobicContact CG1-CB 4.33Å
1220	I	88.7	Confident	91.5	Very high	24 Å²	24	67.8 Å²	67.8	12%	0.123	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	120.2	-177.2	-56.9	-56.9	0	0	0	108.5	P994 L997 E998 E1218 N1222 V1223	P994-I1220 HydrophobicContact CB-CD1 3.94Å; P994-I1220 HydrophobicContact CB-CG1 3.97Å; L997-I1220 HydrophobicContact CD2-CB 3.82Å; L997-I1220 HydrophobicContact CD2-CG1 4.2Å; L997-I1220 HydrophobicContact CD2-CG2 4.48Å; L997-I1220 HydrophobicContact CG-CB 4.07Å; L997-I1220 HydrophobicContact CG-CG2 4.17Å; E998-I1220 HydrophobicContact CB-CG2 3.74Å; E998-I1220 HydrophobicContact CG-CG2 4.39Å; E1218-I1220 HydrophobicContact CB-CD1 4.08Å; E1218-I1220 HydrophobicContact CB-CG1 4.33Å; I1220-N1222 VanDerWaalsContact C-N 3.28Å; I1220-N1222 PolarHBondContact O-N 3.07Å; I1220-V1223 PolarHBondContact N-O 2.85Å; I1220-V1223 WeakPolarHBondContact O-CA 3.42Å; I1220-V1223 VanDerWaalsContact O-CB 3.23Å; I1220-V1223 WeakPolarHBondContact O-CB 3.38Å; I1220-V1223 PolarHBondContact O-N 3.47Å
1221	K	85.4	Confident	91.6	Very high	128 Å²	128	69.5 Å²	69.5	56%	0.557	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	44.2	-177.4	-58	-72.5	-178.7	179.4	0	113.1	H1001 V1223	H1001-K1221 WeakPolarHBondContact CD2-CB 3.48Å; K1221-V1223 PolarHBondContact O-N 2.86Å
1222	N	87.2	Confident	91.7	Very high	149 Å²	149	68.9 Å²	68.9	80%	0.797	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	5.5	-172.8	-59.5	-15.9	0	0	0	115.8	I1220 P1224	I1220-N1222 VanDerWaalsContact C-N 3.28Å; I1220-N1222 PolarHBondContact O-N 3.07Å; N1222-P1224 WeakPolarHBondContact O-CD 3.43Å
1223	V	90.8	Very high	91.8	Very high	4 Å²	4	66.5 Å²	66.5	2%	0.024	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	108.1	174.2	-179.5	0	0	0	0	109.7	L997 I1164 I1220 K1221 L1225 M1228	L997-V1223 HydrophobicContact CD1-CG1 4.25Å; L997-V1223 HydrophobicContact CD2-CB 4.22Å; L997-V1223 HydrophobicContact CD2-CG1 3.94Å; I1164-V1223 HydrophobicContact CG1-CG2 4.39Å; I1164-V1223 HydrophobicContact CG2-CG2 4.11Å; I1220-V1223 PolarHBondContact N-O 2.85Å; I1220-V1223 WeakPolarHBondContact O-CA 3.42Å; I1220-V1223 VanDerWaalsContact O-CB 3.23Å; I1220-V1223 WeakPolarHBondContact O-CB 3.38Å; I1220-V1223 PolarHBondContact O-N 3.47Å; K1221-V1223 PolarHBondContact O-N 2.86Å; V1223-L1225 PolarHBondContact O-N 3.39Å; V1223-M1228 HydrophobicContact CG1-CB 3.72Å; V1223-M1228 HydrophobicContact CG1-CG 3.92Å; V1223-M1228 HydrophobicContact CG1-SD 4.19Å
1224	P	92.6	Very high	92	Very high	29 Å²	29	67.1 Å²	67.1	19%	0.188	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	110.3	171.2	23	-29.9	0	0	0	110.4	P1165 I1219 N1222 K1226 K1227 M1228	P1165-P1224 HydrophobicContact CB-CG 4.49Å; P1165-P1224 HydrophobicContact CG-CG 4.32Å; I1219-P1224 HydrophobicContact CG1-CB 4.33Å; N1222-P1224 WeakPolarHBondContact O-CD 3.43Å; P1224-K1226 VanDerWaalsContact C-N 3.32Å; P1224-K1226 PolarHBondContact O-N 2.89Å; P1224-K1227 HydrophobicContact CB-CB 4.38Å; P1224-K1227 HydrophobicContact CB-CD 4.43Å; P1224-K1227 HydrophobicContact CB-CG 4.41Å; P1224-K1227 HydrophobicContact CG-CB 4.04Å; P1224-K1227 HydrophobicContact CG-CD 3.87Å; P1224-K1227 HydrophobicContact CG-CG 4.22Å; P1224-K1227 PolarHBondContact O-N 2.94Å; P1224-K1227 VanDerWaalsContact O-N 3.1Å; P1224-M1228 PolarHBondContact O-N 2.9Å
1225	L	92.8	Very high	92.1	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-55.8	-40.3	-170.7	174.9	59.9	0	0	0	113.3	S993 P994 L997 L1207 Q1211 K1216 E1218 V1223 M1228 A1229	S993-L1225 WeakPolarHBondContact OG-CD2 3.27Å; P994-L1225 HydrophobicContact CB-CD2 4.33Å; P994-L1225 HydrophobicContact CG-CD2 3.82Å; L997-L1225 HydrophobicContact CB-CD1 4.27Å; L997-L1225 HydrophobicContact CD2-CB 4.09Å; L997-L1225 HydrophobicContact CD2-CD1 3.76Å; L997-L1225 HydrophobicContact CD2-CG 4.48Å; L1207-L1225 HydrophobicContact CD1-CD1 3.94Å; L1207-L1225 HydrophobicContact CD2-CD1 4.43Å; L1207-L1225 HydrophobicContact CG-CD1 4.4Å; Q1211-L1225 HydrophobicContact CG-CD1 4.15Å; Q1211-L1225 HydrophobicContact CG-CD2 4.4Å; Q1211-L1225 HydrophobicContact CG-CG 4.01Å; K1216-L1225 HydrophobicContact CB-CD2 4.39Å; E1218-L1225 WeakPolarHBondContact O-CB 3.32Å; E1218-L1225 PolarHBondContact O-N 3.15Å; V1223-L1225 PolarHBondContact O-N 3.39Å; L1225-M1228 WeakPolarHBondContact O-CB 3.5Å; L1225-M1228 PolarHBondContact O-N 3.47Å; L1225-A1229 WeakPolarHBondContact O-CB 3.37Å; L1225-A1229 PolarHBondContact O-N 2.91Å
1226	K	91.6	Very high	92.4	Very high	82 Å²	82	63.7 Å²	63.7	36%	0.357	30%	0.299	S	S	.	.	H	α-helix	trans	-64.6	-44.8	177.2	-179.3	58.8	-178.9	147.5	0	112.7	D1217 P1224 M1228 A1229 D1230	D1217-K1226 HydrophobicContact CB-CB 3.97Å; D1217-K1226 WeakPolarHBondContact OD1-CB 3.2Å; D1217-K1226 PolarHBondContact OD1-N 2.92Å; D1217-K1226 VanDerWaalsContact OD2-CB 3.27Å; D1217-K1226 WeakPolarHBondContact OD2-CB 3.27Å; P1224-K1226 VanDerWaalsContact C-N 3.32Å; P1224-K1226 PolarHBondContact O-N 2.89Å; K1226-M1228 VanDerWaalsContact C-N 3.32Å; K1226-M1228 PolarHBondContact O-N 3.45Å; K1226-A1229 PolarHBondContact O-N 2.98Å; K1226-D1230 WeakPolarHBondContact CE-OD2 3.33Å; K1226-D1230 IonicContact NZ-OD1 2.72Å; K1226-D1230 PolarHBondContact NZ-OD1 2.76Å; K1226-D1230 IonicContact NZ-OD2 3.56Å; K1226-D1230 PolarHBondContact NZ-OD2 3.47Å; K1226-D1230 WeakPolarHBondContact O-CB 3.36Å; K1226-D1230 PolarHBondContact O-N 3.08Å
1227	K	92.5	Very high	92.6	Very high	131 Å²	131	63.5 Å²	63.5	57%	0.57	30%	0.301	S	S	*	.	H	α-helix	trans	-65.7	-35.8	175.9	-66.8	-173.2	-179.3	177	0	111.8	P1165 P1224 D1230 R1231	P1165-K1227 HydrophobicContact CB-CB 4.38Å; P1165-K1227 HydrophobicContact CG-CB 3.86Å; P1224-K1227 HydrophobicContact CB-CB 4.38Å; P1224-K1227 HydrophobicContact CB-CD 4.43Å; P1224-K1227 HydrophobicContact CB-CG 4.41Å; P1224-K1227 HydrophobicContact CG-CB 4.04Å; P1224-K1227 HydrophobicContact CG-CD 3.87Å; P1224-K1227 HydrophobicContact CG-CG 4.22Å; P1224-K1227 PolarHBondContact O-N 2.94Å; P1224-K1227 VanDerWaalsContact O-N 3.1Å; K1227-D1230 PolarHBondContact O-N 3.18Å; K1227-R1231 WeakPolarHBondContact O-CB 3.45Å; K1227-R1231 WeakPolarHBondContact O-CG 3.43Å; K1227-R1231 PolarHBondContact O-N 2.96Å
1228	M	94	Very high	92.8	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-53.1	173	-178	61.7	170.3	0	0	110.4	L997 F1160 C1163 I1164 P1165 L1207 V1223 P1224 L1225 K1226 D1230 R1231 I1232	L997-M1228 HydrophobicContact CD1-CG 4.45Å; F1160-M1228 HydrophobicContact CD2-CE 3.83Å; F1160-M1228 HydrophobicContact CE2-CE 3.82Å; F1160-M1228 HydrophobicContact CG-CE 4.31Å; F1160-M1228 HydrophobicContact CZ-CE 4.29Å; C1163-M1228 HydrophobicContact CB-CE 3.68Å; C1163-M1228 HydrophobicContact CB-SD 3.75Å; I1164-M1228 HydrophobicContact CG1-CE 4.2Å; I1164-M1228 HydrophobicContact CG1-SD 4.46Å; P1165-M1228 HydrophobicContact CG-CB 4.42Å; L1207-M1228 HydrophobicContact CD2-CG 4.18Å; V1223-M1228 HydrophobicContact CG1-CB 3.72Å; V1223-M1228 HydrophobicContact CG1-CG 3.92Å; V1223-M1228 HydrophobicContact CG1-SD 4.19Å; P1224-M1228 PolarHBondContact O-N 2.9Å; L1225-M1228 WeakPolarHBondContact O-CB 3.5Å; L1225-M1228 PolarHBondContact O-N 3.47Å; K1226-M1228 VanDerWaalsContact C-N 3.32Å; K1226-M1228 PolarHBondContact O-N 3.45Å; M1228-D1230 VanDerWaalsContact C-N 3.31Å; M1228-D1230 PolarHBondContact O-N 2.9Å; M1228-R1231 PolarHBondContact O-N 3.31Å; M1228-I1232 HydrophobicContact CE-CD1 4.13Å; M1228-I1232 HydrophobicContact CE-CG1 4.48Å; M1228-I1232 HydrophobicContact CG-CD1 3.9Å; M1228-I1232 VanDerWaalsContact O-CG1 3.22Å; M1228-I1232 WeakPolarHBondContact O-CG1 3.44Å; M1228-I1232 PolarHBondContact O-N 3.4Å; M1228-I1232 HydrophobicContact SD-CD1 4.31Å; M1228-I1232 HydrophobicContact SD-CG1 4.46Å
1229	A	93.6	Very high	93	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.2	-40.1	176.7	0	0	0	0	0	112.7	L1208 Q1211 L1225 K1226 I1232 R1233	L1208-A1229 HydrophobicContact CD1-CB 4.03Å; Q1211-A1229 HydrophobicContact CB-CB 4.29Å; Q1211-A1229 HydrophobicContact CG-CB 3.92Å; L1225-A1229 WeakPolarHBondContact O-CB 3.37Å; L1225-A1229 PolarHBondContact O-N 2.91Å; K1226-A1229 PolarHBondContact O-N 2.98Å; A1229-I1232 PolarHBondContact O-N 2.87Å; A1229-R1233 PolarHBondContact O-N 3.46Å
1230	D	93.7	Very high	93.2	Very high	71 Å²	71	53.1 Å²	53.1	38%	0.38	25%	0.25	S	C	.	.	H	α-helix	trans	-69.6	-36.9	177.5	-67.4	-20.1	0	0	0	112.4	K1226 K1227 M1228 R1233 K1234	K1226-D1230 WeakPolarHBondContact CE-OD2 3.33Å; K1226-D1230 IonicContact NZ-OD1 2.72Å; K1226-D1230 PolarHBondContact NZ-OD1 2.76Å; K1226-D1230 IonicContact NZ-OD2 3.56Å; K1226-D1230 PolarHBondContact NZ-OD2 3.47Å; K1226-D1230 WeakPolarHBondContact O-CB 3.36Å; K1226-D1230 PolarHBondContact O-N 3.08Å; K1227-D1230 PolarHBondContact O-N 3.18Å; M1228-D1230 VanDerWaalsContact C-N 3.31Å; M1228-D1230 PolarHBondContact O-N 2.9Å; D1230-R1233 PolarHBondContact O-N 3.05Å; D1230-K1234 PolarHBondContact O-N 3.28Å
1231	R	95.1	Very high	93.5	Very high	36 Å²	36	57.2 Å²	57.2	14%	0.136	27%	0.269	C	S	.	.	H	α-helix	trans	-65.4	-47.6	170.7	-79.4	-175.3	66.5	75	2.6	111.5	Y1162 C1163 E1174 K1227 M1228 R1233 K1234 Y1235	Y1162-R1231 PolarHBondContact O-NH2 3.04Å; C1163-R1231 WeakPolarHBondContact O-CD 3.25Å; C1163-R1231 PolarHBondContact O-NE 3.14Å; C1163-R1231 VanDerWaalsContact O-NE 3.08Å; E1174-R1231 IonicContact OE1-CZ 2.67Å; E1174-R1231 IonicContact OE1-NH1 2.7Å; E1174-R1231 PolarHBondContact OE1-NH1 3.44Å; E1174-R1231 IonicContact OE1-NH2 3.39Å; E1174-R1231 IonicContact OE2-CZ 2.64Å; E1174-R1231 IonicContact OE2-NH1 3.71Å; E1174-R1231 PolarHBondContact OE2-NH1 2.99Å; E1174-R1231 IonicContact OE2-NH2 3.42Å; E1174-R1231 PolarHBondContact OE2-NH2 2.91Å; K1227-R1231 WeakPolarHBondContact O-CB 3.45Å; K1227-R1231 WeakPolarHBondContact O-CG 3.43Å; K1227-R1231 PolarHBondContact O-N 2.96Å; M1228-R1231 PolarHBondContact O-N 3.31Å; R1231-R1233 PolarHBondContact O-N 3.26Å; R1231-K1234 WeakPolarHBondContact O-CB 3.2Å; R1231-K1234 PolarHBondContact O-N 3.22Å; R1231-Y1235 PolarHBondContact NH2-OH 3.34Å; R1231-Y1235 WeakPolarHBondContact O-CD2 3.35Å; R1231-Y1235 PolarHBondContact O-N 2.97Å; R1231-Y1235 VanDerWaalsContact O-N 3.12Å
1232	I	96.2	Very high	93.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-53.8	-44.3	175.2	-67.8	166.7	0	0	0	110.5	C1163 C1204 Y1205 L1207 L1208 M1228 A1229 K1234 Y1235 Q1236	C1163-I1232 HydrophobicContact CB-CG1 3.75Å; C1204-I1232 HydrophobicContact CB-CB 4.34Å; C1204-I1232 HydrophobicContact CB-CD1 3.78Å; C1204-I1232 HydrophobicContact CB-CG1 3.75Å; C1204-I1232 HydrophobicContact CB-CG2 3.67Å; C1204-I1232 WeakPolarHBondContact O-CG2 3.33Å; Y1205-I1232 HydrophobicContact CD1-CG2 4.39Å; L1207-I1232 HydrophobicContact CD2-CD1 3.99Å; L1207-I1232 HydrophobicContact CG-CD1 4.43Å; L1208-I1232 HydrophobicContact CB-CG2 3.88Å; L1208-I1232 HydrophobicContact CD2-CG2 3.98Å; M1228-I1232 HydrophobicContact CE-CD1 4.13Å; M1228-I1232 HydrophobicContact CE-CG1 4.48Å; M1228-I1232 HydrophobicContact CG-CD1 3.9Å; M1228-I1232 VanDerWaalsContact O-CG1 3.22Å; M1228-I1232 WeakPolarHBondContact O-CG1 3.44Å; M1228-I1232 PolarHBondContact O-N 3.4Å; M1228-I1232 HydrophobicContact SD-CD1 4.31Å; M1228-I1232 HydrophobicContact SD-CG1 4.46Å; A1229-I1232 PolarHBondContact O-N 2.87Å; I1232-K1234 VanDerWaalsContact C-N 3.29Å; I1232-K1234 PolarHBondContact O-N 3.29Å; I1232-Y1235 PolarHBondContact O-N 3.23Å; I1232-Q1236 VanDerWaalsContact O-CB 3.3Å; I1232-Q1236 WeakPolarHBondContact O-CB 3.5Å; I1232-Q1236 PolarHBondContact O-N 3.47Å
1233	R	95.9	Very high	94.3	Very high	92 Å²	92	44.1 Å²	44.1	35%	0.347	21%	0.205	S	C	.	.	H	α-helix	trans	-63.7	-33.3	178.9	-179.9	53.1	-178.9	178.2	9	112.6	L1208 A1229 D1230 R1231 I1237	L1208-R1233 HydrophobicContact CD1-CB 4.41Å; L1208-R1233 HydrophobicContact CD2-CB 3.89Å; A1229-R1233 PolarHBondContact O-N 3.46Å; D1230-R1233 PolarHBondContact O-N 3.05Å; R1231-R1233 PolarHBondContact O-N 3.26Å; R1233-I1237 HydrophobicContact CG-CD1 4.26Å; R1233-I1237 WeakPolarHBondContact O-CD1 3.23Å; R1233-I1237 VanDerWaalsContact O-CG1 3.29Å; R1233-I1237 WeakPolarHBondContact O-CG1 3.42Å; R1233-I1237 PolarHBondContact O-N 3.23Å; R1233-I1237 VanDerWaalsContact O-N 3.14Å
1234	K	94.9	Very high	94.4	Very high	151 Å²	151	46.9 Å²	46.9	66%	0.657	23%	0.228	S	C	*	.	H	α-helix	trans	-66.2	-49.8	174.6	-69.1	177.5	178.5	-174.3	0	111.3	D1230 R1231 I1232 Q1236 I1237 L1238	D1230-K1234 PolarHBondContact O-N 3.28Å; R1231-K1234 WeakPolarHBondContact O-CB 3.2Å; R1231-K1234 PolarHBondContact O-N 3.22Å; I1232-K1234 VanDerWaalsContact C-N 3.29Å; I1232-K1234 PolarHBondContact O-N 3.29Å; K1234-Q1236 VanDerWaalsContact C-N 3.33Å; K1234-Q1236 PolarHBondContact O-N 3.35Å; K1234-I1237 PolarHBondContact O-N 3.09Å; K1234-I1237 VanDerWaalsContact O-N 3.12Å; K1234-L1238 PolarHBondContact O-N 2.86Å
1235	Y	95.3	Very high	94.4	Very high	13 Å²	13	47.9 Å²	47.9	5%	0.051	23%	0.231	C	C	.	.	H	α-helix	trans	-64	-36.6	176.7	-72.1	-71.3	0	0	0	112.8	Y1162 C1163 E1174 R1231 I1232 I1237 L1238 N1239	Y1162-Y1235 AromaticContact CD2-CD1 3.94Å; Y1162-Y1235 HydrophobicContact CD2-CD1 3.94Å; Y1162-Y1235 AromaticContact CD2-CD2 3.85Å; Y1162-Y1235 HydrophobicContact CD2-CD2 3.85Å; Y1162-Y1235 AromaticContact CD2-CE1 3.74Å; Y1162-Y1235 HydrophobicContact CD2-CE1 3.74Å; Y1162-Y1235 AromaticContact CD2-CE2 3.62Å; Y1162-Y1235 HydrophobicContact CD2-CE2 3.62Å; Y1162-Y1235 AromaticContact CD2-CG 3.98Å; Y1162-Y1235 HydrophobicContact CD2-CG 3.98Å; Y1162-Y1235 AromaticContact CD2-CZ 3.54Å; Y1162-Y1235 AromaticContact CE2-CD1 3.48Å; Y1162-Y1235 HydrophobicContact CE2-CD1 3.48Å; Y1162-Y1235 VanDerWaalsContact CE2-CD1 3.48Å; Y1162-Y1235 AromaticContact CE2-CD2 3.84Å; Y1162-Y1235 HydrophobicContact CE2-CD2 3.84Å; Y1162-Y1235 AromaticContact CE2-CE1 3.74Å; Y1162-Y1235 HydrophobicContact CE2-CE1 3.74Å; Y1162-Y1235 HydrophobicContact CE2-CE2 4.06Å; Y1162-Y1235 AromaticContact CE2-CG 3.52Å; Y1162-Y1235 HydrophobicContact CE2-CG 3.52Å; Y1162-Y1235 AromaticContact CE2-CZ 4Å; C1163-Y1235 VanDerWaalsContact SG-CD2 3.54Å; E1174-Y1235 PolarHBondContact OE2-OH 2.81Å; R1231-Y1235 PolarHBondContact NH2-OH 3.34Å; R1231-Y1235 WeakPolarHBondContact O-CD2 3.35Å; R1231-Y1235 PolarHBondContact O-N 2.97Å; R1231-Y1235 VanDerWaalsContact O-N 3.12Å; I1232-Y1235 PolarHBondContact O-N 3.23Å; Y1235-I1237 VanDerWaalsContact C-N 3.3Å; Y1235-I1237 PolarHBondContact O-N 3.08Å; Y1235-L1238 HydrophobicContact CD1-CD2 4.42Å; Y1235-L1238 PolarHBondContact O-N 2.92Å; Y1235-N1239 WeakPolarHBondContact O-CB 3.19Å; Y1235-N1239 PolarHBondContact O-N 2.9Å; Y1235-N1239 PolarHBondContact O-ND2 3.45Å; Y1235-N1239 PolarHBondContact O-OD1 2.98Å
1236	Q	96.1	Very high	94.4	Very high	25 Å²	25	47.9 Å²	47.9	12%	0.117	23%	0.231	C	C	.	.	H	α-helix	trans	-59.7	-38.5	172.3	-178.8	176.6	75.1	0	0	112.5	Y1205 I1232 K1234 N1240	Y1205-Q1236 HydrophobicContact CD1-CB 4.1Å; Y1205-Q1236 HydrophobicContact CD1-CG 4.11Å; Y1205-Q1236 HydrophobicContact CE1-CB 3.52Å; Y1205-Q1236 HydrophobicContact CE1-CG 3.67Å; Y1205-Q1236 HydrophobicContact CE2-CG 4.3Å; Y1205-Q1236 VanDerWaalsContact CG-NE2 3.34Å; I1232-Q1236 VanDerWaalsContact O-CB 3.3Å; I1232-Q1236 WeakPolarHBondContact O-CB 3.5Å; I1232-Q1236 PolarHBondContact O-N 3.47Å; K1234-Q1236 VanDerWaalsContact C-N 3.33Å; K1234-Q1236 PolarHBondContact O-N 3.35Å; Q1236-N1240 VanDerWaalsContact O-CB 3.26Å; Q1236-N1240 WeakPolarHBondContact O-CB 3.28Å; Q1236-N1240 PolarHBondContact O-N 3.45Å; Q1236-N1240 VanDerWaalsContact O-N 3.12Å; Q1236-N1240 PolarHBondContact O-ND2 3.03Å; Q1236-N1240 PolarHBondContact O-OD1 2.99Å
1237	I	95.3	Very high	94.3	Very high	85 Å²	85	46.3 Å²	46.3	44%	0.436	23%	0.227	S	C	.	.	H	α-helix	trans	-67.3	-48.1	175.5	-68.8	163.2	0	0	0	110	R1233 K1234 Y1235 N1240 E1241	R1233-I1237 HydrophobicContact CG-CD1 4.26Å; R1233-I1237 WeakPolarHBondContact O-CD1 3.23Å; R1233-I1237 VanDerWaalsContact O-CG1 3.29Å; R1233-I1237 WeakPolarHBondContact O-CG1 3.42Å; R1233-I1237 PolarHBondContact O-N 3.23Å; R1233-I1237 VanDerWaalsContact O-N 3.14Å; K1234-I1237 PolarHBondContact O-N 3.09Å; K1234-I1237 VanDerWaalsContact O-N 3.12Å; Y1235-I1237 VanDerWaalsContact C-N 3.3Å; Y1235-I1237 PolarHBondContact O-N 3.08Å; I1237-N1240 PolarHBondContact O-N 3.28Å; I1237-E1241 PolarHBondContact O-N 3.36Å
1238	L	94.6	Very high	94.1	Very high	28 Å²	28	47.6 Å²	47.6	15%	0.147	23%	0.232	C	C	.	.	H	α-helix	trans	-58.8	-51.1	178.6	177.9	61.5	0	0	0	112	D1179 N1182 K1234 Y1235 N1240 E1241 V1242	D1179-L1238 HydrophobicContact CB-CD1 4.43Å; D1179-L1238 HydrophobicContact CB-CD2 4.47Å; D1179-L1238 WeakPolarHBondContact OD1-CD2 3.27Å; N1182-L1238 HydrophobicContact CB-CD2 3.98Å; N1182-L1238 HydrophobicContact CB-CG 4.43Å; N1182-L1238 VanDerWaalsContact ND2-CD2 3.33Å; N1182-L1238 WeakPolarHBondContact ND2-CD2 3.28Å; K1234-L1238 PolarHBondContact O-N 2.86Å; Y1235-L1238 HydrophobicContact CD1-CD2 4.42Å; Y1235-L1238 PolarHBondContact O-N 2.92Å; L1238-N1240 VanDerWaalsContact C-N 3.32Å; L1238-N1240 PolarHBondContact O-N 3.48Å; L1238-E1241 WeakPolarHBondContact O-CB 3.28Å; L1238-E1241 PolarHBondContact O-N 3.49Å; L1238-E1241 VanDerWaalsContact O-N 3.16Å; L1238-V1242 HydrophobicContact CD1-CG2 4.19Å; L1238-V1242 WeakPolarHBondContact O-CG2 3.2Å; L1238-V1242 PolarHBondContact O-N 3.48Å
1239	N	96	Very high	93.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59	-43.6	178.2	-66.8	-12.8	0	0	0	111.2	Q1159 Y1205 Y1235 E1241 V1242 F1243	Q1159-N1239 PolarHBondContact OE1-ND2 2.89Å; Y1205-N1239 WeakPolarHBondContact OH-CB 3.33Å; Y1205-N1239 PolarHBondContact OH-ND2 2.75Å; Y1235-N1239 WeakPolarHBondContact O-CB 3.19Å; Y1235-N1239 PolarHBondContact O-N 2.9Å; Y1235-N1239 PolarHBondContact O-ND2 3.45Å; Y1235-N1239 PolarHBondContact O-OD1 2.98Å; N1239-E1241 VanDerWaalsContact C-N 3.33Å; N1239-E1241 PolarHBondContact O-N 2.82Å; N1239-V1242 PolarHBondContact O-N 3.42Å; N1239-F1243 HydrophobicContact CB-CD2 4.31Å; N1239-F1243 HydrophobicContact CB-CE2 4.02Å; N1239-F1243 VanDerWaalsContact O-CB 3.27Å; N1239-F1243 WeakPolarHBondContact O-CB 3.38Å; N1239-F1243 WeakPolarHBondContact O-CD2 3.39Å; N1239-F1243 WeakPolarHBondContact O-CG 3.49Å; N1239-F1243 PolarHBondContact O-N 3.48Å
1240	N	95.3	Very high	93.1	Very high	68 Å²	68	51.3 Å²	51.3	36%	0.364	25%	0.248	S	C	.	.	H	α-helix	trans	-63.7	-36.9	177.8	-73.2	-11.2	0	0	0	112.6	Q1236 I1237 L1238 A1244	Q1236-N1240 VanDerWaalsContact O-CB 3.26Å; Q1236-N1240 WeakPolarHBondContact O-CB 3.28Å; Q1236-N1240 PolarHBondContact O-N 3.45Å; Q1236-N1240 VanDerWaalsContact O-N 3.12Å; Q1236-N1240 PolarHBondContact O-ND2 3.03Å; Q1236-N1240 PolarHBondContact O-OD1 2.99Å; I1237-N1240 PolarHBondContact O-N 3.28Å; L1238-N1240 VanDerWaalsContact C-N 3.32Å; L1238-N1240 PolarHBondContact O-N 3.48Å; N1240-A1244 VanDerWaalsContact O-CB 3.24Å; N1240-A1244 WeakPolarHBondContact O-CB 3.22Å; N1240-A1244 PolarHBondContact O-N 3.15Å
1241	E	94.3	Very high	91.8	Very high	110 Å²	110	54.4 Å²	54.4	51%	0.514	26%	0.258	S	S	.	.	H	α-helix	trans	-65.6	-50	173.9	-177.4	176.6	175.8	0	0	111.2	I1237 L1238 N1239 F1243 A1244 I1245	I1237-E1241 PolarHBondContact O-N 3.36Å; L1238-E1241 WeakPolarHBondContact O-CB 3.28Å; L1238-E1241 PolarHBondContact O-N 3.49Å; L1238-E1241 VanDerWaalsContact O-N 3.16Å; N1239-E1241 VanDerWaalsContact C-N 3.33Å; N1239-E1241 PolarHBondContact O-N 2.82Å; E1241-F1243 PolarHBondContact O-N 3.14Å; E1241-A1244 PolarHBondContact O-N 3.31Å; E1241-A1244 VanDerWaalsContact O-N 3.16Å; E1241-I1245 HydrophobicContact CG-CD1 4.1Å; E1241-I1245 WeakPolarHBondContact O-CG1 3.37Å; E1241-I1245 PolarHBondContact O-N 2.96Å
1242	V	94.9	Very high	90	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-60	-47.1	177.4	176.4	0	0	0	0	111	W1183 C1186 L1238 N1239 A1244 I1245 L1246	W1183-V1242 HydrophobicContact CD2-CG1 3.83Å; W1183-V1242 HydrophobicContact CD2-CG2 4.11Å; W1183-V1242 HydrophobicContact CE3-CG1 3.93Å; W1183-V1242 HydrophobicContact CG-CG1 4.22Å; W1183-V1242 HydrophobicContact CG-CG2 4.26Å; W1183-V1242 HydrophobicContact CZ2-CG1 4.49Å; W1183-V1242 HydrophobicContact CZ2-CG2 4.1Å; W1183-V1242 HydrophobicContact CZ3-CG1 4.31Å; C1186-V1242 HydrophobicContact CB-CB 4.25Å; C1186-V1242 HydrophobicContact CB-CG1 3.53Å; L1238-V1242 HydrophobicContact CD1-CG2 4.19Å; L1238-V1242 WeakPolarHBondContact O-CG2 3.2Å; L1238-V1242 PolarHBondContact O-N 3.48Å; N1239-V1242 PolarHBondContact O-N 3.42Å; V1242-A1244 VanDerWaalsContact C-N 3.35Å; V1242-A1244 PolarHBondContact O-N 3.38Å; V1242-I1245 PolarHBondContact O-N 2.84Å; V1242-L1246 HydrophobicContact CG1-CD1 3.74Å; V1242-L1246 HydrophobicContact CG1-CG 4.26Å; V1242-L1246 WeakPolarHBondContact O-CB 3.37Å; V1242-L1246 VanDerWaalsContact O-CG 3.27Å; V1242-L1246 WeakPolarHBondContact O-CG 3.27Å; V1242-L1246 PolarHBondContact O-N 2.83Å
1243	F	95.1	Very high	87.8	Confident	1 Å²	1	58.4 Å²	58.4	0%	0.004	29%	0.289	C	S	.	.	H	α-helix	trans	-58.9	-43	174	-68.7	-36.2	0	0	0	112	C1186 I1189 V1190 Q1195 F1198 N1239 E1241 I1245 L1246 N1247	C1186-F1243 HydrophobicContact CB-CD1 3.75Å; C1186-F1243 HydrophobicContact CB-CE1 3.47Å; C1186-F1243 VanDerWaalsContact CB-CE1 3.47Å; C1186-F1243 HydrophobicContact CB-CZ 4.26Å; I1189-F1243 HydrophobicContact CB-CE1 4.16Å; I1189-F1243 HydrophobicContact CG2-CE1 3.86Å; I1189-F1243 HydrophobicContact CG2-CZ 3.96Å; V1190-F1243 HydrophobicContact CG2-CD1 3.48Å; V1190-F1243 VanDerWaalsContact CG2-CD1 3.48Å; V1190-F1243 HydrophobicContact CG2-CE1 3.99Å; V1190-F1243 HydrophobicContact CG2-CG 4.47Å; Q1195-F1243 HydrophobicContact CG-CB 4.37Å; Q1195-F1243 HydrophobicContact CG-CD1 3.84Å; Q1195-F1243 HydrophobicContact CG-CD2 3.66Å; Q1195-F1243 HydrophobicContact CG-CE1 3.89Å; Q1195-F1243 HydrophobicContact CG-CE2 3.75Å; Q1195-F1243 HydrophobicContact CG-CG 3.72Å; Q1195-F1243 HydrophobicContact CG-CZ 3.86Å; F1198-F1243 AromaticContact CD1-CE2 3.72Å; F1198-F1243 HydrophobicContact CD1-CE2 3.72Å; F1198-F1243 AromaticContact CD1-CZ 3.7Å; F1198-F1243 HydrophobicContact CD1-CZ 3.7Å; F1198-F1243 AromaticContact CE1-CE2 3.87Å; F1198-F1243 HydrophobicContact CE1-CE2 3.87Å; F1198-F1243 AromaticContact CE1-CZ 3.92Å; F1198-F1243 HydrophobicContact CE1-CZ 3.92Å; N1239-F1243 HydrophobicContact CB-CD2 4.31Å; N1239-F1243 HydrophobicContact CB-CE2 4.02Å; N1239-F1243 VanDerWaalsContact O-CB 3.27Å; N1239-F1243 WeakPolarHBondContact O-CB 3.38Å; N1239-F1243 WeakPolarHBondContact O-CD2 3.39Å; N1239-F1243 WeakPolarHBondContact O-CG 3.49Å; N1239-F1243 PolarHBondContact O-N 3.48Å; E1241-F1243 PolarHBondContact O-N 3.14Å; F1243-I1245 VanDerWaalsContact C-N 3.34Å; F1243-I1245 PolarHBondContact O-N 3.08Å; F1243-L1246 PolarHBondContact O-N 3.12Å; F1243-N1247 WeakPolarHBondContact O-CB 3.24Å; F1243-N1247 PolarHBondContact O-N 3.16Å; F1243-N1247 PolarHBondContact O-ND2 3.02Å
1244	A	93.1	Very high	85.6	Confident	62 Å²	62	59.3 Å²	59.3	51%	0.512	30%	0.297	S	S	.	.	H	α-helix	trans	-63.1	-40.3	178	0	0	0	0	0	112	N1240 E1241 V1242 K1248	N1240-A1244 VanDerWaalsContact O-CB 3.24Å; N1240-A1244 WeakPolarHBondContact O-CB 3.22Å; N1240-A1244 PolarHBondContact O-N 3.15Å; E1241-A1244 PolarHBondContact O-N 3.31Å; E1241-A1244 VanDerWaalsContact O-N 3.16Å; V1242-A1244 VanDerWaalsContact C-N 3.35Å; V1242-A1244 PolarHBondContact O-N 3.38Å; A1244-K1248 WeakPolarHBondContact O-CB 3.49Å; A1244-K1248 PolarHBondContact O-N 2.92Å; A1244-K1248 VanDerWaalsContact O-N 3.1Å
1245	I	92.2	Very high	83.4	Confident	49 Å²	49	57.5 Å²	57.5	25%	0.251	30%	0.298	S	S	.	.	H	α-helix	trans	-67.1	-51	176.6	-62.7	162.9	0	0	0	110.6	W1183 E1241 V1242 F1243 N1247 K1248 Y1249	W1183-I1245 HydrophobicContact CH2-CB 4.18Å; W1183-I1245 HydrophobicContact CH2-CD1 4.04Å; W1183-I1245 HydrophobicContact CH2-CG2 3.88Å; W1183-I1245 HydrophobicContact CZ2-CD1 4.03Å; E1241-I1245 HydrophobicContact CG-CD1 4.1Å; E1241-I1245 WeakPolarHBondContact O-CG1 3.37Å; E1241-I1245 PolarHBondContact O-N 2.96Å; V1242-I1245 PolarHBondContact O-N 2.84Å; F1243-I1245 VanDerWaalsContact C-N 3.34Å; F1243-I1245 PolarHBondContact O-N 3.08Å; I1245-N1247 PolarHBondContact O-N 3.12Å; I1245-K1248 WeakPolarHBondContact O-CB 3.49Å; I1245-K1248 PolarHBondContact O-N 3.28Å; I1245-Y1249 HydrophobicContact CG2-CD2 4.05Å; I1245-Y1249 HydrophobicContact CG2-CE2 3.96Å; I1245-Y1249 WeakPolarHBondContact O-CD2 3.41Å; I1245-Y1249 PolarHBondContact O-N 3.27Å
1246	L	92.9	Very high	81.1	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-58.1	-46.9	179.8	-69	169	0	0	0	112	F1117 L1121 W1183 C1186 V1190 V1242 F1243 K1248 Y1249 M1250	F1117-L1246 HydrophobicContact CE1-CD2 4.23Å; F1117-L1246 HydrophobicContact CZ-CD2 4.22Å; L1121-L1246 HydrophobicContact CD1-CD2 3.89Å; L1121-L1246 HydrophobicContact CD2-CD2 3.81Å; W1183-L1246 HydrophobicContact CZ3-CD2 4.16Å; W1183-L1246 HydrophobicContact CZ3-CG 4.41Å; C1186-L1246 HydrophobicContact CB-CD1 4.22Å; V1190-L1246 HydrophobicContact CB-CB 4.49Å; V1190-L1246 HydrophobicContact CB-CD1 4.36Å; V1190-L1246 HydrophobicContact CG1-CB 4.2Å; V1190-L1246 HydrophobicContact CG2-CB 4.25Å; V1190-L1246 HydrophobicContact CG2-CD1 4.02Å; V1242-L1246 HydrophobicContact CG1-CD1 3.74Å; V1242-L1246 HydrophobicContact CG1-CG 4.26Å; V1242-L1246 WeakPolarHBondContact O-CB 3.37Å; V1242-L1246 VanDerWaalsContact O-CG 3.27Å; V1242-L1246 WeakPolarHBondContact O-CG 3.27Å; V1242-L1246 PolarHBondContact O-N 2.83Å; F1243-L1246 PolarHBondContact O-N 3.12Å; L1246-K1248 VanDerWaalsContact C-N 3.27Å; L1246-K1248 PolarHBondContact O-N 3.25Å; L1246-Y1249 PolarHBondContact O-N 3.18Å; L1246-M1250 WeakPolarHBondContact O-CG 3.49Å; L1246-M1250 PolarHBondContact O-N 2.68Å
1247	N	90.5	Very high	78.5	Confident	49 Å²	49	65.8 Å²	65.8	26%	0.262	35%	0.349	S	S	.	.	H	α-helix	trans	-65.1	-28.4	176.5	-76.1	-68.8	0	0	0	113	Q1195 F1243 I1245 K1251	Q1195-N1247 PolarHBondContact OE1-ND2 2.94Å; F1243-N1247 WeakPolarHBondContact O-CB 3.24Å; F1243-N1247 PolarHBondContact O-N 3.16Å; F1243-N1247 PolarHBondContact O-ND2 3.02Å; I1245-N1247 PolarHBondContact O-N 3.12Å; N1247-K1251 WeakPolarHBondContact O-CB 3.45Å; N1247-K1251 VanDerWaalsContact O-CG 3.23Å; N1247-K1251 WeakPolarHBondContact O-CG 3.44Å; N1247-K1251 PolarHBondContact O-N 2.8Å
1248	K	88.4	Confident	76	Confident	158 Å²	158	67.9 Å²	67.9	69%	0.687	37%	0.371	S	S	*	.	H	α-helix	trans	-65	-40.8	175.7	-173.8	-169.1	176.7	-164.5	0	111.3	A1244 I1245 L1246	A1244-K1248 WeakPolarHBondContact O-CB 3.49Å; A1244-K1248 PolarHBondContact O-N 2.92Å; A1244-K1248 VanDerWaalsContact O-N 3.1Å; I1245-K1248 WeakPolarHBondContact O-CB 3.49Å; I1245-K1248 PolarHBondContact O-N 3.28Å; L1246-K1248 VanDerWaalsContact C-N 3.27Å; L1246-K1248 PolarHBondContact O-N 3.25Å
1249	Y	85.7	Confident	73.7	Confident	53 Å²	53	71.6 Å²	71.6	21%	0.208	40%	0.395	C	S	.	.	H	α-helix	trans	-81.7	-23.9	178.3	-76	-82.9	0	0	0	114	L1032 F1117 I1245 L1246 S1252	L1032-Y1249 HydrophobicContact CD1-CE2 4.03Å; F1117-Y1249 HydrophobicContact CB-CD1 4.24Å; F1117-Y1249 HydrophobicContact CB-CE1 4.31Å; F1117-Y1249 HydrophobicContact CD1-CD1 4.01Å; F1117-Y1249 AromaticContact CD1-CD2 3.67Å; F1117-Y1249 HydrophobicContact CD1-CD2 3.67Å; F1117-Y1249 HydrophobicContact CD1-CE1 4.38Å; F1117-Y1249 HydrophobicContact CD1-CE2 4.09Å; F1117-Y1249 AromaticContact CD1-CG 3.62Å; F1117-Y1249 HydrophobicContact CD1-CG 3.62Å; F1117-Y1249 HydrophobicContact CE1-CD2 4.03Å; F1117-Y1249 HydrophobicContact CE1-CG 4.34Å; I1245-Y1249 HydrophobicContact CG2-CD2 4.05Å; I1245-Y1249 HydrophobicContact CG2-CE2 3.96Å; I1245-Y1249 WeakPolarHBondContact O-CD2 3.41Å; I1245-Y1249 PolarHBondContact O-N 3.27Å; L1246-Y1249 PolarHBondContact O-N 3.18Å; Y1249-S1252 PolarHBondContact O-OG 3.34Å
1250	M	80.7	Confident	71.3	Confident	25 Å²	25	78.6 Å²	78.6	12%	0.123	44%	0.438	C	S	.	.	H	α-helix	trans	-78.5	-22.5	175.5	-73.4	-59.2	-47.8	0	0	113.8	L1121 V1190 L1191 L1246 S1252	L1121-M1250 HydrophobicContact CB-SD 3.76Å; L1121-M1250 HydrophobicContact CD1-CG 4.25Å; L1121-M1250 HydrophobicContact CD1-SD 4.09Å; V1190-M1250 HydrophobicContact CG1-CG 4.43Å; L1191-M1250 HydrophobicContact CD2-SD 3.88Å; L1246-M1250 WeakPolarHBondContact O-CG 3.49Å; L1246-M1250 PolarHBondContact O-N 2.68Å; M1250-S1252 PolarHBondContact O-N 3.09Å
1251	K	66.4	Low	69.5	Low	136 Å²	136	81.8 Å²	81.8	59%	0.591	45%	0.45	S	S	*	.	H	α-helix	trans	-73.7	-21.9	-174.6	-86.2	175.9	-179.4	-172.1	0	115.2	N1247 V1253 E1254 T1255	N1247-K1251 WeakPolarHBondContact O-CB 3.45Å; N1247-K1251 VanDerWaalsContact O-CG 3.23Å; N1247-K1251 WeakPolarHBondContact O-CG 3.44Å; N1247-K1251 PolarHBondContact O-N 2.8Å; K1251-V1253 VanDerWaalsContact C-N 3.3Å; K1251-E1254 PolarHBondContact O-N 3.43Å; K1251-T1255 PolarHBondContact O-OG1 2.8Å
1252	S	55.6	Low	68.4	Low	53 Å²	53	84.8 Å²	84.8	37%	0.371	46%	0.464	S	S	.	.	H	α-helix	trans	-65.6	-34.9	177.7	29.3	0	0	0	0	111.8	E1118 Y1249 M1250 E1254 T1255	E1118-S1252 WeakPolarHBondContact OE1-CB 3.27Å; E1118-S1252 PolarHBondContact OE1-OG 2.84Å; E1118-S1252 PolarHBondContact OE2-OG 2.73Å; Y1249-S1252 PolarHBondContact O-OG 3.34Å; M1250-S1252 PolarHBondContact O-N 3.09Å; S1252-E1254 VanDerWaalsContact C-N 3.32Å; S1252-E1254 PolarHBondContact O-N 2.79Å; S1252-T1255 PolarHBondContact O-N 2.68Å; S1252-T1255 PolarHBondContact O-OG1 2.96Å
1253	V	50.8	Low	67.6	Low	67 Å²	67	90.2 Å²	90.2	41%	0.406	50%	0.497	S	S	.	.	H	α-helix	trans	-56.5	-40.1	175.9	-169.7	0	0	0	0	113.1	E1118 K1251 T1255	E1118-V1253 HydrophobicContact CG-CG2 3.69Å; E1118-V1253 WeakPolarHBondContact OE1-CG2 3.11Å; E1118-V1253 PolarHBondContact OE1-N 3.23Å; K1251-V1253 VanDerWaalsContact C-N 3.3Å; V1253-T1255 VanDerWaalsContact C-N 3.28Å; V1253-T1255 PolarHBondContact O-N 3.09Å
1254	E	49.2	Very low	66.9	Low	111 Å²	111	97.5 Å²	97.5	52%	0.519	52%	0.524	S	S	.	.	H	α-helix	trans	-74.9	-18.2	-173	-69.1	172.4	-179.1	0	0	112.7	K1251 S1252 D1256 S1257	K1251-E1254 PolarHBondContact O-N 3.43Å; S1252-E1254 VanDerWaalsContact C-N 3.32Å; S1252-E1254 PolarHBondContact O-N 2.79Å; E1254-D1256 PolarHBondContact O-N 2.93Å; E1254-S1257 PolarHBondContact O-OG 3.01Å
1255	T	48.8	Very low	66.4	Low	112 Å²	112	99.5 Å²	99.5	69%	0.687	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-24.9	-174.1	-7.4	0	0	0	0	114.7	K1251 S1252 V1253	K1251-T1255 PolarHBondContact O-OG1 2.8Å; S1252-T1255 PolarHBondContact O-N 2.68Å; S1252-T1255 PolarHBondContact O-OG1 2.96Å; V1253-T1255 VanDerWaalsContact C-N 3.28Å; V1253-T1255 PolarHBondContact O-N 3.09Å
1256	D	46.9	Very low	66.1	Low	154 Å²	154	103.3 Å²	103.3	82%	0.824	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-14	-177.4	-78.9	-16.3	0	0	0	113.4	E1254 S1258	E1254-D1256 PolarHBondContact O-N 2.93Å; D1256-S1258 PolarHBondContact O-N 2.8Å; D1256-S1258 VanDerWaalsContact O-N 3.1Å
1257	S	41.6	Very low	65.5	Low	59 Å²	59	110.9 Å²	110.9	41%	0.413	58%	0.584	S	S	.	*			trans	-80.5	89.8	171.5	48.6	0	0	0	0	111.3	E1254 T1259	E1254-S1257 PolarHBondContact O-OG 3.01Å; S1257-T1259 PolarHBondContact O-N 3.21Å
1258	S	42.8	Very low	65.1	Low	129 Å²	129	113 Å²	113	90%	0.902	60%	0.6	S	S	*	*			trans	-68.1	15.1	176.8	52.6	0	0	0	0	115.6	D1256	D1256-S1258 PolarHBondContact O-N 2.8Å; D1256-S1258 VanDerWaalsContact O-N 3.1Å
1259	T	46.2	Very low	64.7	Low	105 Å²	105	111.8 Å²	111.8	64%	0.644	61%	0.608	S	S	*	*	S	Bend	trans	-102.3	126.5	171	51.8	0	0	0	0	109.9	S1257 E1261	S1257-T1259 PolarHBondContact O-N 3.21Å; T1259-E1261 PolarHBondContact O-N 2.72Å
1260	V	46	Very low	64.3	Low	148 Å²	148	114.7 Å²	114.7	90%	0.897	63%	0.626	S	S	*	*			trans	-49.7	115.2	171.7	-179.5	0	0	0	0	109.3	H1262	V1260-H1262 PolarHBondContact O-N 3.04Å
1261	E	58.3	Low	64.2	Low	135 Å²	135	119.9 Å²	119.9	63%	0.631	65%	0.65	S	S	*	*			trans	-53.8	129.5	-179.7	-89.8	-150.8	127.7	0	0	110.6	T1259 V1263	T1259-E1261 PolarHBondContact O-N 2.72Å; E1261-V1263 PolarHBondContact O-N 3.43Å
1262	H	70.3	Confident	64.6	Low	172 Å²	172	121.6 Å²	121.6	80%	0.796	66%	0.66	S	S	*	*			trans	-75.1	90.7	-177.9	-175.7	69.9	0	0	0	110.9	V1260	V1260-H1262 PolarHBondContact O-N 3.04Å
1263	V	77.7	Confident	65.5	Low	115 Å²	115	122.8 Å²	122.8	70%	0.697	67%	0.669	S	S	*	*			trans	-66.4	131.9	168.6	-176.5	0	0	0	0	109.1	E1261 C1265	E1261-V1263 PolarHBondContact O-N 3.43Å; V1263-C1265 PolarHBondContact O-N 2.94Å
1264	R	80.2	Confident	66.2	Low	154 Å²	154	125 Å²	125	58%	0.581	68%	0.677	S	S	*	*			trans	-63	107.3	177.5	-176.6	177.7	-180	-160.1	-6.9	110.9	G1141	G1141-R1264 PolarHBondContact O-NH1 3.33Å; G1141-R1264 PolarHBondContact O-NH2 3.38Å
1265	C	84.4	Confident	66.7	Low	104 Å²	104	122.8 Å²	122.8	70%	0.703	68%	0.678	S	S	*	*			trans	-73.8	150.7	173.4	-64.2	0	0	0	0	112	V1263	V1263-C1265 PolarHBondContact O-N 2.94Å
1266	F	84.9	Confident	67.1	Low	129 Å²	129	123.6 Å²	123.6	57%	0.566	68%	0.683	S	S	*	*			trans	-104.9	140.5	168.4	-56.9	-73.6	0	0	0	109.2	V1142	V1142-F1266 HydrophobicContact CB-CZ 4.38Å; V1142-F1266 HydrophobicContact CG1-CZ 4.06Å; V1142-F1266 HydrophobicContact CG2-CE1 3.82Å; V1142-F1266 HydrophobicContact CG2-CZ 3.88Å
1267	Q	80.3	Confident	67.3	Low	161 Å²	161	121.6 Å²	121.6	75%	0.752	68%	0.677	S	S	*	*			trans	-70	136	174.5	-65.4	-63.2	-16.2	0	0	109.5
1268	P	82.7	Confident	67	Low	92 Å²	92	127.7 Å²	127.7	60%	0.597	72%	0.717	S	S	*	*			trans	-63.6	161.6	167.3	30.3	-34.8	0	0	0	109.8	I1270	P1268-I1270 PolarHBondContact O-N 3.39Å
1269	P	79.3	Confident	68.3	Low	134 Å²	134	127.7 Å²	127.7	87%	0.87	71%	0.708	S	S	*	*			trans	-56.4	111.1	174.7	-23.6	34	0	0	0	110.9	H1271	P1269-H1271 PolarHBondContact O-N 2.97Å
1270	I	76.7	Confident	69.4	Low	113 Å²	113	128.8 Å²	128.8	58%	0.579	71%	0.712	S	S	*	*			trans	-71.9	123.8	178.9	-73.7	170.2	0	0	0	108.9	P1268 L1274 A1275	P1268-I1270 PolarHBondContact O-N 3.39Å; I1270-L1274 HydrophobicContact CG2-CB 4.43Å; I1270-A1275 HydrophobicContact CG2-CB 4.3Å
1271	H	78.6	Confident	70.7	Confident	134 Å²	134	127.8 Å²	127.8	62%	0.62	70%	0.701	S	S	*	*			trans	-65.8	134.1	175.3	-169.1	-98.2	0	0	0	110.1	P1269 S1273 L1274	P1269-H1271 PolarHBondContact O-N 2.97Å; H1271-S1273 PolarHBondContact ND1-OG 2.85Å; H1271-S1273 PolarHBondContact O-N 2.97Å; H1271-L1274 PolarHBondContact O-N 2.97Å
1272	Q	75	Confident	71.4	Confident	173 Å²	173	127.4 Å²	127.4	81%	0.808	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-54.2	-29.5	-170.4	-68.3	176.2	-10.6	0	0	113.9	L1274 A1275	Q1272-L1274 PolarHBondContact O-N 3.29Å; Q1272-A1275 PolarHBondContact O-N 3.45Å
1273	S	74.3	Confident	71.5	Confident	78 Å²	78	124.6 Å²	124.6	55%	0.545	70%	0.7	S	S	.	*	G	3₁₀ helix	trans	-65.9	-12.5	178.2	66.3	0	0	0	0	115.5	H1271	H1271-S1273 PolarHBondContact ND1-OG 2.85Å; H1271-S1273 PolarHBondContact O-N 2.97Å
1274	L	66.6	Low	71.1	Confident	112 Å²	112	125.2 Å²	125.2	59%	0.586	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-108.7	-8.7	179.8	-68.8	163.9	0	0	0	112.6	I1270 H1271 Q1272 T1276	I1270-L1274 HydrophobicContact CG2-CB 4.43Å; H1271-L1274 PolarHBondContact O-N 2.97Å; Q1272-L1274 PolarHBondContact O-N 3.29Å; L1274-T1276 VanDerWaalsContact C-N 3.32Å; L1274-T1276 PolarHBondContact O-N 3.19Å
1275	A	58.2	Low	70.5	Confident	66 Å²	66	123.1 Å²	123.1	55%	0.545	71%	0.708	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.6	-6.6	-174.3	0	0	0	0	0	114.3	I1270 Q1272	I1270-A1275 HydrophobicContact CG2-CB 4.3Å; Q1272-A1275 PolarHBondContact O-N 3.45Å
1276	T	59.1	Low	69.4	Low	128 Å²	128	124.6 Å²	124.6	79%	0.785	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.6	5.2	179	33.5	0	0	0	0	114	L1274	L1274-T1276 VanDerWaalsContact C-N 3.32Å; L1274-T1276 PolarHBondContact O-N 3.19Å
1277	T	49.2	Very low	68.1	Low	112 Å²	112	124.3 Å²	124.3	69%	0.687	72%	0.721	S	S	*	*			trans	-125.1	21.6	-175.5	25	0	0	0	0	114
1278	C	37.2	Very low	67	Low	188 Å²	188	120.9 Å²	120.9	100%	1.27	72%	0.718	S	S	*	*			trans	-137.8	0	169.9	-74.3	0	0	0	0	110.1

Retrieved 1,278 of 1,278 residues in 655.8 ms (Link to these results)

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