A0A087XKD2_POEFO Loading...

Amyloid beta like protein 1

AlphaFold DB , UniProt , Accession A0A087XKD2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 713 aa.

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(Predicted Aligned Error values between residue pairs)

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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	44.8	Very low	49.4	Very low	257 Å²	257	112.6 Å²	112.6	100%	1.266	67%	0.666	S	S	*	*				0	118.9	0	-67.5	164.9	173.3	0	0	106.5
2	G	45.7	Very low	49.8	Very low	61 Å²	61	110 Å²	110	63%	0.629	65%	0.652	S	S	*	*			trans	168.1	27.4	-172.3	0	0	0	0	0	118.5
3	H	47.8	Very low	49.7	Very low	181 Å²	181	110.4 Å²	110.4	84%	0.838	65%	0.648	S	S	*	*	S	Bend	trans	-130.6	21.2	-178.6	-68.4	-59.9	0	0	0	114.5
4	T	48.3	Very low	49.5	Very low	115 Å²	115	107.3 Å²	107.3	71%	0.706	64%	0.635	S	S	*	*	S	Bend	trans	-120.5	-10.2	-178	47.7	0	0	0	0	114.9	V8	T4-V8 WeakPolarHBondContact O-CG2 3.32Å
5	A	49.5	Very low	49.3	Very low	65 Å²	65	111 Å²	111	54%	0.537	64%	0.635	S	S	.	*	H	α-helix	trans	-80.8	-34.3	-177.4	0	0	0	0	0	114	V8 L9	A5-V8 PolarHBondContact O-N 3.37Å; A5-L9 PolarHBondContact O-N 3.34Å
6	I	51.4	Low	49	Very low	123 Å²	123	107.8 Å²	107.8	63%	0.631	62%	0.621	S	S	*	*	H	α-helix	trans	-64.6	-50.8	-174.8	-59	173.3	0	0	0	113.1	V8 L9 V10	I6-V8 PolarHBondContact O-N 3.41Å; I6-L9 PolarHBondContact O-N 2.96Å; I6-V10 PolarHBondContact O-N 3.46Å; I6-V10 VanDerWaalsContact O-N 3.16Å
7	P	48.1	Very low	48.8	Very low	82 Å²	82	106.9 Å²	106.9	53%	0.532	62%	0.617	S	S	.	*	H	α-helix	trans	-66.5	-26.9	-179.1	26.3	-35	0	0	0	112.8	A11	P7-A11 VanDerWaalsContact O-CB 3.28Å; P7-A11 WeakPolarHBondContact O-CB 3.17Å; P7-A11 PolarHBondContact O-N 3.13Å
8	V	52.1	Low	48.4	Very low	89 Å²	89	107.2 Å²	107.2	54%	0.539	62%	0.616	S	S	.	*	H	α-helix	trans	-70.2	-41.7	175.8	180	0	0	0	0	111	T4 A5 I6 A11 V12	T4-V8 WeakPolarHBondContact O-CG2 3.32Å; A5-V8 PolarHBondContact O-N 3.37Å; I6-V8 PolarHBondContact O-N 3.41Å; V8-A11 PolarHBondContact O-N 2.95Å; V8-V12 HydrophobicContact CG1-CG2 4.4Å; V8-V12 WeakPolarHBondContact O-CB 3.16Å; V8-V12 VanDerWaalsContact O-CG2 3.32Å; V8-V12 WeakPolarHBondContact O-CG2 3.34Å; V8-V12 PolarHBondContact O-N 3.35Å
9	L	49.8	Very low	47.8	Very low	113 Å²	113	108.3 Å²	108.3	59%	0.592	62%	0.615	S	S	*	*	H	α-helix	trans	-63.3	-41.8	175.2	-85	163.1	0	0	0	112.4	A5 I6 L13	A5-L9 PolarHBondContact O-N 3.34Å; I6-L9 PolarHBondContact O-N 2.96Å; L9-L13 WeakPolarHBondContact O-CB 3.35Å; L9-L13 VanDerWaalsContact O-CG 3.29Å; L9-L13 WeakPolarHBondContact O-CG 3.4Å; L9-L13 PolarHBondContact O-N 3.47Å
10	V	53.7	Low	47.5	Very low	94 Å²	94	108 Å²	108	57%	0.57	61%	0.611	S	S	*	*	H	α-helix	trans	-67.2	-40.5	176.4	178.8	0	0	0	0	111.2	I6 L13 S14	I6-V10 PolarHBondContact O-N 3.46Å; I6-V10 VanDerWaalsContact O-N 3.16Å; V10-L13 PolarHBondContact O-N 3.46Å; V10-S14 WeakPolarHBondContact O-CB 3.15Å; V10-S14 PolarHBondContact O-N 2.65Å
11	A	52.5	Low	47.2	Very low	59 Å²	59	107.6 Å²	107.6	49%	0.488	61%	0.611	S	S	.	*	H	α-helix	trans	-63.8	-44.2	176.1	0	0	0	0	0	112.4	P7 V8 S14 Y15	P7-A11 VanDerWaalsContact O-CB 3.28Å; P7-A11 WeakPolarHBondContact O-CB 3.17Å; P7-A11 PolarHBondContact O-N 3.13Å; V8-A11 PolarHBondContact O-N 2.95Å; A11-S14 PolarHBondContact O-N 2.94Å; A11-Y15 WeakPolarHBondContact O-CB 3.25Å; A11-Y15 PolarHBondContact O-N 3.17Å
12	V	53.9	Low	46.8	Very low	81 Å²	81	104.2 Å²	104.2	49%	0.491	59%	0.592	S	S	.	*	H	α-helix	trans	-64.7	-44.5	176.8	170.2	0	0	0	0	111.1	V8 S14 Y15 C16	V8-V12 HydrophobicContact CG1-CG2 4.4Å; V8-V12 WeakPolarHBondContact O-CB 3.16Å; V8-V12 VanDerWaalsContact O-CG2 3.32Å; V8-V12 WeakPolarHBondContact O-CG2 3.34Å; V8-V12 PolarHBondContact O-N 3.35Å; V12-S14 VanDerWaalsContact C-N 3.33Å; V12-S14 PolarHBondContact O-N 3.4Å; V12-Y15 PolarHBondContact O-N 2.98Å; V12-C16 WeakPolarHBondContact O-CB 3.48Å; V12-C16 PolarHBondContact O-N 3.49Å; V12-C16 PolarHBondContact O-SG 3.49Å; V12-C16 VanDerWaalsContact O-SG 3.33Å
13	L	48.5	Very low	46.4	Very low	115 Å²	115	104 Å²	104	60%	0.602	58%	0.584	S	S	*	*	H	α-helix	trans	-61.8	-40.2	175.5	-73.3	168.5	0	0	0	111.9	L9 V10 C16 V17	L9-L13 WeakPolarHBondContact O-CB 3.35Å; L9-L13 VanDerWaalsContact O-CG 3.29Å; L9-L13 WeakPolarHBondContact O-CG 3.4Å; L9-L13 PolarHBondContact O-N 3.47Å; V10-L13 PolarHBondContact O-N 3.46Å; L13-C16 PolarHBondContact O-N 3.17Å; L13-V17 WeakPolarHBondContact O-CG2 3.23Å; L13-V17 PolarHBondContact O-N 2.84Å
14	S	47	Very low	45.7	Very low	67 Å²	67	103 Å²	103	47%	0.469	58%	0.578	S	S	.	*	H	α-helix	trans	-66	-36.9	175.3	-166.5	0	0	0	0	112.7	V10 A11 V12 V17 L18	V10-S14 WeakPolarHBondContact O-CB 3.15Å; V10-S14 PolarHBondContact O-N 2.65Å; A11-S14 PolarHBondContact O-N 2.94Å; V12-S14 VanDerWaalsContact C-N 3.33Å; V12-S14 PolarHBondContact O-N 3.4Å; S14-V17 PolarHBondContact O-N 3.48Å; S14-L18 WeakPolarHBondContact O-CD1 3.43Å; S14-L18 PolarHBondContact O-N 3.38Å
15	Y	46.3	Very low	45.3	Very low	163 Å²	163	101.4 Å²	101.4	64%	0.639	58%	0.576	S	S	*	*	H	α-helix	trans	-69.7	-42.8	177.2	-138.7	-83.8	0	0	0	111.4	A11 V12 V17 L18 E19	A11-Y15 WeakPolarHBondContact O-CB 3.25Å; A11-Y15 PolarHBondContact O-N 3.17Å; V12-Y15 PolarHBondContact O-N 2.98Å; Y15-V17 PolarHBondContact O-N 2.79Å; Y15-L18 PolarHBondContact O-N 3.24Å; Y15-L18 VanDerWaalsContact O-N 3.17Å; Y15-E19 HydrophobicContact CD1-CG 4.14Å; Y15-E19 HydrophobicContact CE1-CG 4.28Å; Y15-E19 PolarHBondContact O-N 3.1Å
16	C	44.8	Very low	44.8	Very low	60 Å²	60	107 Å²	107	41%	0.405	59%	0.594	S	S	.	*	H	α-helix	trans	-65.8	-22.6	172.8	-65.8	0	0	0	0	113.1	V12 L13 N20	V12-C16 WeakPolarHBondContact O-CB 3.48Å; V12-C16 PolarHBondContact O-N 3.49Å; V12-C16 PolarHBondContact O-SG 3.49Å; V12-C16 VanDerWaalsContact O-SG 3.33Å; L13-C16 PolarHBondContact O-N 3.17Å; C16-N20 PolarHBondContact O-ND2 3Å
17	V	45.2	Very low	43.8	Very low	92 Å²	92	105.5 Å²	105.5	56%	0.558	59%	0.59	S	S	*	*	H	α-helix	trans	-76.9	-42.1	169.6	168.7	0	0	0	0	111	L13 S14 Y15 N20 V21	L13-V17 WeakPolarHBondContact O-CG2 3.23Å; L13-V17 PolarHBondContact O-N 2.84Å; S14-V17 PolarHBondContact O-N 3.48Å; Y15-V17 PolarHBondContact O-N 2.79Å; V17-N20 PolarHBondContact O-N 2.91Å; V17-V21 WeakPolarHBondContact O-CG2 3.21Å; V17-V21 PolarHBondContact O-N 2.85Å
18	L	41.4	Very low	43.3	Very low	113 Å²	113	109.9 Å²	109.9	59%	0.592	60%	0.603	S	S	*	*	H	α-helix	trans	-67.6	-42.4	178.5	-96.7	73.6	0	0	0	113.5	S14 Y15 N20 V21 E22	S14-L18 WeakPolarHBondContact O-CD1 3.43Å; S14-L18 PolarHBondContact O-N 3.38Å; Y15-L18 PolarHBondContact O-N 3.24Å; Y15-L18 VanDerWaalsContact O-N 3.17Å; L18-N20 PolarHBondContact O-N 3.47Å; L18-V21 PolarHBondContact O-N 3.04Å; L18-E22 PolarHBondContact O-N 3.31Å
19	E	38.1	Very low	42.3	Very low	128 Å²	128	112 Å²	112	60%	0.598	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-22.8	175.6	-74.1	-175.3	144.4	0	0	112.6	Y15	Y15-E19 HydrophobicContact CD1-CG 4.14Å; Y15-E19 HydrophobicContact CE1-CG 4.28Å; Y15-E19 PolarHBondContact O-N 3.1Å
20	N	40.3	Very low	41.5	Very low	101 Å²	101	113.6 Å²	113.6	54%	0.54	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.1	-1.7	172.1	-78.3	-67.3	0	0	0	113.9	C16 V17 L18	C16-N20 PolarHBondContact O-ND2 3Å; V17-N20 PolarHBondContact O-N 2.91Å; L18-N20 PolarHBondContact O-N 3.47Å
21	V	41.1	Very low	40.5	Very low	101 Å²	101	111.4 Å²	111.4	61%	0.612	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-34.4	176.2	166.3	0	0	0	0	111.8	V17 L18 A23	V17-V21 WeakPolarHBondContact O-CG2 3.21Å; V17-V21 PolarHBondContact O-N 2.85Å; L18-V21 PolarHBondContact O-N 3.04Å; V21-A23 PolarHBondContact O-N 3.17Å
22	E	36.8	Very low	39.7	Very low	186 Å²	186	113.3 Å²	113.3	87%	0.869	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-4.2	170.7	-70.2	-169.5	128.3	0	0	113.6	L18	L18-E22 PolarHBondContact O-N 3.31Å
23	A	37.4	Very low	38.8	Very low	56 Å²	56	112.4 Å²	112.4	46%	0.463	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.3	1.4	176.8	0	0	0	0	0	114.7	V21	V21-A23 PolarHBondContact O-N 3.17Å
24	F	33	Very low	38.4	Very low	160 Å²	160	113.1 Å²	113.1	70%	0.702	65%	0.648	S	S	*	*			trans	-102.8	18.5	-179.9	-105	-77.6	0	0	0	114.8
25	A	40.9	Very low	38.4	Very low	81 Å²	81	117.4 Å²	117.4	67%	0.669	66%	0.661	S	S	*	*	S	Bend	trans	-97.9	127.9	156.5	0	0	0	0	0	109.1
26	M	38.8	Very low	39.1	Very low	184 Å²	184	117.1 Å²	117.1	91%	0.906	67%	0.67	S	S	*	*			trans	64.4	61.8	-178.3	-49.7	-164.1	-51.2	0	0	116.4
27	T	30.2	Very low	40.5	Very low	91 Å²	91	115.3 Å²	115.3	56%	0.558	66%	0.659	S	S	*	*			trans	-102.7	103.9	134.3	57.5	0	0	0	0	108.4	V29	T27-V29 PolarHBondContact O-N 3.24Å
28	E	36.9	Very low	42.4	Very low	173 Å²	173	114.9 Å²	114.9	81%	0.808	65%	0.651	S	S	*	*			trans	-58	112.5	161.5	-68.3	175.3	122.7	0	0	107.4	N30	E28-N30 VanDerWaalsContact C-N 3.28Å; E28-N30 PolarHBondContact O-N 2.88Å; E28-N30 PolarHBondContact O-ND2 3.46Å
29	V	30.9	Very low	44.7	Very low	134 Å²	134	110.3 Å²	110.3	81%	0.812	63%	0.628	S	S	*	*			trans	-64.7	100.7	165.3	177	0	0	0	0	105.4	T27 G31	T27-V29 PolarHBondContact O-N 3.24Å; V29-G31 PolarHBondContact O-N 2.86Å
30	N	34.5	Very low	47.4	Very low	146 Å²	146	105.6 Å²	105.6	78%	0.781	61%	0.606	S	S	*	*			trans	-54.6	111.7	169	-83.6	-105.8	0	0	0	105.9	E28	E28-N30 VanDerWaalsContact C-N 3.28Å; E28-N30 PolarHBondContact O-N 2.88Å; E28-N30 PolarHBondContact O-ND2 3.46Å
31	G	31.5	Very low	49.9	Very low	49 Å²	49	100.8 Å²	100.8	51%	0.505	58%	0.58	S	S	.	*			trans	-60.5	174.6	176.7	0	0	0	0	0	111	V29 G33	V29-G31 PolarHBondContact O-N 2.86Å; G31-G33 PolarHBondContact O-N 3.42Å
32	P	35.3	Very low	52.2	Low	98 Å²	98	96 Å²	96	64%	0.636	55%	0.551	S	S	*	*	S	Bend	trans	-49.5	122.5	164.1	24.2	-33.4	0	0	0	108.5	Q35	P32-Q35 HydrophobicContact CB-CG 4.31Å; P32-Q35 HydrophobicContact CG-CG 4.29Å
33	G	36.4	Very low	54.7	Low	63 Å²	63	88.3 Å²	88.3	65%	0.649	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	145.1	-177.5	0	0	0	0	0	110.4	G31 Q35	G31-G33 PolarHBondContact O-N 3.42Å; G33-Q35 PolarHBondContact O-N 3.29Å
34	P	38.8	Very low	56.9	Low	130 Å²	130	89.3 Å²	89.3	84%	0.844	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.3	104.2	-149.8	16.6	-32.9	0	0	0	111.6	L36	P34-L36 PolarHBondContact O-N 3.4Å; P34-L36 VanDerWaalsContact O-N 3.16Å
35	Q	48.1	Very low	59.2	Low	156 Å²	156	85.6 Å²	85.6	73%	0.729	50%	0.503	S	S	*	.			trans	-56.8	124.1	174.1	-67.7	-173.3	79.2	0	0	106.4	P32 G33 A37	P32-Q35 HydrophobicContact CB-CG 4.31Å; P32-Q35 HydrophobicContact CG-CG 4.29Å; G33-Q35 PolarHBondContact O-N 3.29Å; Q35-A37 PolarHBondContact O-N 2.88Å
36	L	59.7	Low	60.7	Low	158 Å²	158	84.1 Å²	84.1	83%	0.827	50%	0.495	S	S	*	.			trans	-56	112.6	172	-112	67.4	0	0	0	106.1	P34 E38	P34-L36 PolarHBondContact O-N 3.4Å; P34-L36 VanDerWaalsContact O-N 3.16Å; L36-E38 PolarHBondContact O-N 3.49Å; L36-E38 VanDerWaalsContact O-N 3.14Å
37	A	75.3	Confident	62.6	Low	22 Å²	22	76.2 Å²	76.2	18%	0.182	46%	0.455	C	S	.	.			trans	-63	121.1	-177.5	0	0	0	0	0	107.3	Q35 M52 L54	Q35-A37 PolarHBondContact O-N 2.88Å; A37-M52 HydrophobicContact CB-CG 3.8Å; A37-M52 HydrophobicContact CB-SD 3.95Å; A37-L54 WeakPolarHBondContact O-CD2 3.29Å
38	E	84.1	Confident	65.2	Low	83 Å²	83	73.8 Å²	73.8	39%	0.388	44%	0.437	S	S	.	.			trans	-64.7	146.1	-174.6	-61.9	-172.7	154.6	0	0	110.4	L36 Q40 M52 R123	L36-E38 PolarHBondContact O-N 3.49Å; L36-E38 VanDerWaalsContact O-N 3.14Å; E38-Q40 HydrophobicContact CB-CG 4.11Å; E38-Q40 PolarHBondContact O-N 2.85Å; E38-Q40 PolarHBondContact OE2-NE2 3.39Å; E38-Q40 VanDerWaalsContact OE2-NE2 3.14Å; E38-M52 VanDerWaalsContact O-CG 3.29Å; E38-M52 WeakPolarHBondContact O-CG 3.29Å; E38-R123 IonicContact OE1-CZ 2.91Å; E38-R123 IonicContact OE1-NH2 3.95Å; E38-R123 PolarHBondContact OE1-NH2 3.43Å; E38-R123 IonicContact OE2-CZ 3.49Å; E38-R123 VanDerWaalsContact OE2-CZ 3.3Å; E38-R123 IonicContact OE2-NE 3.99Å; E38-R123 PolarHBondContact OE2-NE 3.27Å; E38-R123 IonicContact OE2-NH2 2.66Å; E38-R123 PolarHBondContact OE2-NH2 2.95Å
39	P	91.4	Very high	67.6	Low	17 Å²	17	65.7 Å²	65.7	11%	0.11	40%	0.399	C	S	.	.			trans	-62.9	111.1	171.4	29.1	-37.4	0	0	0	110	L54 Y84 L87 I89 C124	P39-L54 HydrophobicContact CB-CD2 3.93Å; P39-Y84 HydrophobicContact CB-CD1 3.93Å; P39-Y84 HydrophobicContact CB-CD2 3.67Å; P39-Y84 HydrophobicContact CB-CE1 3.94Å; P39-Y84 HydrophobicContact CB-CE2 3.66Å; P39-Y84 HydrophobicContact CB-CG 3.79Å; P39-L87 HydrophobicContact CB-CD1 3.75Å; P39-L87 HydrophobicContact CG-CD1 3.71Å; P39-I89 HydrophobicContact CG-CD1 4.48Å; P39-C124 HydrophobicContact CB-CB 4.08Å; P39-C124 HydrophobicContact CG-CB 4.45Å; P39-C124 VanDerWaalsContact CG-O 3.25Å; P39-C124 WeakPolarHBondContact CG-O 3.29Å; P39-C124 PolarHBondContact O-N 3.47Å
40	Q	93.1	Very high	70.3	Confident	28 Å²	28	59.9 Å²	59.9	13%	0.131	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	143.1	-174.9	-64.7	-177.2	5	0	0	110.1	E38 H51 M52 W59 Y84 P121 Y122 R123	E38-Q40 HydrophobicContact CB-CG 4.11Å; E38-Q40 PolarHBondContact O-N 2.85Å; E38-Q40 PolarHBondContact OE2-NE2 3.39Å; E38-Q40 VanDerWaalsContact OE2-NE2 3.14Å; Q40-H51 WeakPolarHBondContact O-CA 3.37Å; Q40-M52 HydrophobicContact CB-CB 4.14Å; Q40-M52 WeakPolarHBondContact O-CB 3.29Å; Q40-M52 PolarHBondContact O-N 3.36Å; Q40-W59 HydrophobicContact CB-CH2 3.83Å; Q40-W59 WeakPolarHBondContact O-CZ3 3.27Å; Q40-Y84 PolarHBondContact N-OH 3.43Å; Q40-Y84 VanDerWaalsContact N-OH 3.17Å; Q40-Y84 PolarHBondContact O-OH 3.2Å; Q40-P121 HydrophobicContact CB-CB 4.49Å; Q40-Y122 CarbonylContact C-O 3.58Å; Q40-Y122 VanDerWaalsContact CA-O 3.24Å; Q40-Y122 WeakPolarHBondContact CA-O 3.41Å; Q40-R123 HydrophobicContact CG-CG 4.2Å
41	I	92.8	Very high	73	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	146	176.9	61.3	177.7	0	0	0	110	M50 H51 I76 Y79 C80 Y84 P121 Y122	I41-M50 CarbonylContact C-O 3.59Å; I41-M50 WeakPolarHBondContact CA-O 3.3Å; I41-H51 HydrophobicContact CG2-CB 4.16Å; I41-I76 HydrophobicContact CD1-CG2 3.72Å; I41-Y79 HydrophobicContact CB-CD1 4.24Å; I41-Y79 HydrophobicContact CB-CE1 4.06Å; I41-Y79 HydrophobicContact CD1-CD1 3.62Å; I41-Y79 HydrophobicContact CD1-CE1 4.29Å; I41-Y79 HydrophobicContact CG2-CD1 3.89Å; I41-Y79 HydrophobicContact CG2-CE1 3.7Å; I41-C80 VanDerWaalsContact CD1-SG 3.52Å; I41-Y84 HydrophobicContact CG2-CE2 4.03Å; I41-P121 CarbonylContact O-C 3.53Å; I41-P121 VanDerWaalsContact O-CA 3.24Å; I41-P121 WeakPolarHBondContact O-CA 3.28Å; I41-P121 VanDerWaalsContact O-CB 3.31Å; I41-P121 WeakPolarHBondContact O-CB 3.26Å; I41-Y122 PolarHBondContact N-O 2.87Å; I41-Y122 PolarHBondContact O-N 2.63Å
42	A	90.8	Very high	75.9	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134.9	179.7	0	0	0	0	0	110	M50 W59 I101 W104 V119 P121	A42-M50 HydrophobicContact CB-CB 4.21Å; A42-M50 PolarHBondContact N-O 3.43Å; A42-M50 PolarHBondContact O-N 3.46Å; A42-W59 HydrophobicContact CB-CE3 4.16Å; A42-W59 HydrophobicContact CB-CH2 3.88Å; A42-W59 HydrophobicContact CB-CZ3 3.67Å; A42-I101 HydrophobicContact CB-CD1 3.47Å; A42-I101 VanDerWaalsContact CB-CD1 3.47Å; A42-W104 HydrophobicContact CB-CH2 4.05Å; A42-V119 HydrophobicContact CB-CG2 4.07Å; A42-P121 HydrophobicContact CB-CB 4.27Å
43	M	88.6	Confident	78.4	Confident	25 Å²	25	49.9 Å²	49.9	12%	0.123	29%	0.292	C	S	.	.			trans	-121.8	147	-174.8	-52.3	-161.8	-73.8	0	0	110	L49 F70 I76 Y122	M43-L49 HydrophobicContact CB-CD2 4.05Å; M43-L49 HydrophobicContact CG-CD2 3.67Å; M43-L49 HydrophobicContact SD-CD2 4.04Å; M43-F70 HydrophobicContact CE-CB 4.26Å; M43-F70 HydrophobicContact SD-CB 3.96Å; M43-F70 HydrophobicContact SD-CD2 3.39Å; M43-F70 WeakPolarHBondContact SD-CD2 3.24Å; M43-F70 HydrophobicContact SD-CE2 4.19Å; M43-F70 HydrophobicContact SD-CG 3.99Å; M43-I76 HydrophobicContact CE-CD1 3.74Å; M43-I76 HydrophobicContact CE-CG1 3.87Å; M43-I76 HydrophobicContact SD-CG1 4.42Å; M43-Y122 HydrophobicContact CE-CD2 4.07Å; M43-Y122 HydrophobicContact CE-CE2 3.74Å
44	F	84.1	Confident	80.8	Confident	77 Å²	77	49.9 Å²	49.9	34%	0.338	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	123.2	168.7	-169.2	-79.8	0	0	0	107.5	G46 R47 W104 L117 V119	F44-G46 PolarHBondContact O-N 3.22Å; F44-R47 HydrophobicContact CB-CB 4.3Å; F44-R47 HydrophobicContact CD1-CB 4.39Å; F44-R47 HydrophobicContact CD1-CG 3.83Å; F44-R47 PolarHBondContact O-N 2.94Å; F44-W104 HydrophobicContact CB-CH2 3.64Å; F44-W104 HydrophobicContact CB-CZ2 3.69Å; F44-W104 HydrophobicContact CB-CZ3 4.07Å; F44-L117 HydrophobicContact CD2-CD2 4.47Å; F44-L117 HydrophobicContact CE2-CD2 3.97Å; F44-L117 HydrophobicContact CZ-CD2 4.23Å; F44-V119 HydrophobicContact CD2-CG1 3.99Å
45	C	81.4	Confident	83	Confident	82 Å²	82	53.1 Å²	53.1	55%	0.554	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.4	130	-174.6	-53.8	0	0	0	0	110.9	R47 C69	C45-R47 VanDerWaalsContact C-N 3.31Å; C45-R47 PolarHBondContact O-N 3.47Å; C45-C69 HydrophobicContact CB-CB 4.1Å; C45-C69 WeakPolarHBondContact CB-SG 3.39Å; C45-C69 WeakPolarHBondContact SG-CB 3.43Å; C45-C69 CovalentContact SG-SG 2.04Å; C45-C69 PolarHBondContact SG-SG 2.89Å
46	G	72.6	Confident	84.7	Confident	49 Å²	49	49.2 Å²	49.2	51%	0.505	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	73.4	12.3	-176.8	0	0	0	0	0	116	F44	F44-G46 PolarHBondContact O-N 3.22Å
47	R	78.1	Confident	85.8	Confident	19 Å²	19	43.7 Å²	43.7	7%	0.072	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	166.2	167.2	-63	-175.5	-167.8	-92.4	-4.7	111.3	F44 C45 Q67 G68 W104 K106 L117	F44-R47 HydrophobicContact CB-CB 4.3Å; F44-R47 HydrophobicContact CD1-CB 4.39Å; F44-R47 HydrophobicContact CD1-CG 3.83Å; F44-R47 PolarHBondContact O-N 2.94Å; C45-R47 VanDerWaalsContact C-N 3.31Å; C45-R47 PolarHBondContact O-N 3.47Å; R47-Q67 VanDerWaalsContact O-CA 3.26Å; R47-Q67 WeakPolarHBondContact O-CA 3.29Å; R47-Q67 WeakPolarHBondContact O-CB 3.41Å; R47-Q67 WeakPolarHBondContact O-CG 3.26Å; R47-G68 PolarHBondContact O-N 2.93Å; R47-W104 HydrophobicContact CB-CG 4.44Å; R47-W104 PolarHBondContact NH1-O 3Å; R47-K106 HydrophobicContact CG-CG 4.12Å; R47-L117 VanDerWaalsContact CZ-CD1 3.5Å
48	Q	84.6	Confident	86.3	Confident	40 Å²	40	48.7 Å²	48.7	19%	0.187	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	137.4	179.3	-172.1	169.9	-1.2	0	0	110.3	P61 D62 R66 Q67 W104	Q48-P61 HydrophobicContact CG-CB 4.21Å; Q48-D62 HydrophobicContact CG-CB 4.29Å; Q48-D62 PolarHBondContact NE2-O 3.47Å; Q48-R66 CarbonylContact C-O 3.54Å; Q48-R66 VanDerWaalsContact CA-O 3.32Å; Q48-R66 WeakPolarHBondContact CA-O 3.42Å; Q48-Q67 HydrophobicContact CB-CG 4.21Å; Q48-W104 PolarHBondContact O-NE1 3.32Å
49	L	87.8	Confident	86.6	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	26%	0.256	C	S	.	.			trans	-63.2	144.5	177.3	-64.9	166.9	0	0	0	109.9	M43 D62 R66 G68 F70 Y79	M43-L49 HydrophobicContact CB-CD2 4.05Å; M43-L49 HydrophobicContact CG-CD2 3.67Å; M43-L49 HydrophobicContact SD-CD2 4.04Å; L49-D62 HydrophobicContact CB-CB 4.1Å; L49-D62 WeakPolarHBondContact O-CB 3.49Å; L49-D62 PolarHBondContact O-N 3.31Å; L49-R66 HydrophobicContact CD1-CB 4.04Å; L49-R66 PolarHBondContact N-O 2.95Å; L49-G68 WeakPolarHBondContact CD2-O 3.37Å; L49-F70 HydrophobicContact CD1-CE1 4.44Å; L49-F70 HydrophobicContact CD1-CE2 3.69Å; L49-F70 HydrophobicContact CD1-CZ 3.5Å; L49-F70 HydrophobicContact CD2-CE2 4.3Å; L49-Y79 HydrophobicContact CB-CE1 4.37Å; L49-Y79 HydrophobicContact CB-CE2 4.05Å; L49-Y79 VanDerWaalsContact CB-OH 3.29Å; L49-Y79 WeakPolarHBondContact CB-OH 3.49Å; L49-Y79 HydrophobicContact CD1-CD2 3.85Å; L49-Y79 HydrophobicContact CD1-CE2 3.42Å; L49-Y79 VanDerWaalsContact CD1-CE2 3.42Å; L49-Y79 HydrophobicContact CG-CE2 4.36Å
50	M	88.1	Confident	86.4	Confident	13 Å²	13	49.3 Å²	49.3	6%	0.064	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	148.5	-177.8	-60.2	-66.7	-63.2	0	0	110.2	I41 A42 W59 P61 I101 W104	I41-M50 CarbonylContact C-O 3.59Å; I41-M50 WeakPolarHBondContact CA-O 3.3Å; A42-M50 HydrophobicContact CB-CB 4.21Å; A42-M50 PolarHBondContact N-O 3.43Å; A42-M50 PolarHBondContact O-N 3.46Å; M50-W59 HydrophobicContact CB-CE3 4.02Å; M50-W59 HydrophobicContact CE-CB 3.86Å; M50-P61 HydrophobicContact CE-CB 4.39Å; M50-P61 VanDerWaalsContact SD-CA 3.58Å; M50-P61 HydrophobicContact SD-CB 3.78Å; M50-I101 HydrophobicContact CB-CD1 4.33Å; M50-I101 HydrophobicContact CE-CG2 4.26Å; M50-I101 HydrophobicContact CG-CD1 4.47Å; M50-W104 HydrophobicContact CB-CZ2 4.37Å; M50-W104 HydrophobicContact CG-CD2 4.15Å; M50-W104 VanDerWaalsContact CG-CE2 3.46Å; M50-W104 HydrophobicContact CG-CH2 4.43Å; M50-W104 HydrophobicContact CG-CZ2 3.63Å
51	H	90.9	Very high	86.1	Confident	26 Å²	26	50.9 Å²	50.9	12%	0.12	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	149.6	176.8	73.7	-54	0	0	0	111.9	Q40 I41 W59 E60 M83	Q40-H51 WeakPolarHBondContact O-CA 3.37Å; I41-H51 HydrophobicContact CG2-CB 4.16Å; H51-W59 WeakPolarHBondContact O-CA 3.42Å; H51-E60 PolarHBondContact N-O 3.24Å; H51-E60 PolarHBondContact ND1-O 3.32Å; H51-E60 PolarHBondContact O-N 3.1Å; H51-M83 HydrophobicContact CB-CB 4.49Å; H51-M83 HydrophobicContact CB-CE 4.26Å; H51-M83 WeakPolarHBondContact CD2-CE 3.05Å; H51-M83 WeakPolarHBondContact NE2-CE 3.46Å
52	M	91.4	Very high	85.7	Confident	21 Å²	21	50.9 Å²	50.9	10%	0.103	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	115.5	177.6	-178.1	58.2	67.9	0	0	110.5	A37 E38 Q40 L54 G57 W59 Y84	A37-M52 HydrophobicContact CB-CG 3.8Å; A37-M52 HydrophobicContact CB-SD 3.95Å; E38-M52 VanDerWaalsContact O-CG 3.29Å; E38-M52 WeakPolarHBondContact O-CG 3.29Å; Q40-M52 HydrophobicContact CB-CB 4.14Å; Q40-M52 WeakPolarHBondContact O-CB 3.29Å; Q40-M52 PolarHBondContact O-N 3.36Å; M52-L54 PolarHBondContact O-N 3.05Å; M52-G57 VanDerWaalsContact SD-C 3.52Å; M52-W59 HydrophobicContact CB-CH2 4.4Å; M52-W59 HydrophobicContact CB-CZ3 4.26Å; M52-W59 HydrophobicContact CE-CD2 3.96Å; M52-W59 VanDerWaalsContact CE-CE2 3.45Å; M52-W59 HydrophobicContact CE-CG 4.34Å; M52-W59 HydrophobicContact CE-CH2 4.31Å; M52-W59 HydrophobicContact CE-CZ2 3.64Å; M52-Y84 WeakPolarHBondContact CA-OH 3.45Å; M52-Y84 PolarHBondContact N-OH 2.98Å; M52-Y84 WeakPolarHBondContact O-CE1 3.38Å; M52-Y84 PolarHBondContact O-OH 3.25Å
53	N	88.5	Confident	85.2	Confident	36 Å²	36	55.9 Å²	55.9	19%	0.193	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	111.8	174.4	177.2	-30.7	0	0	0	110.4	K55 T56 G57 Q58 E60	N53-K55 PolarHBondContact O-N 3.17Å; N53-K55 WeakPolarHBondContact OD1-CB 3.27Å; N53-K55 PolarHBondContact OD1-N 3.1Å; N53-T56 VanDerWaalsContact CB-OG1 3.27Å; N53-T56 WeakPolarHBondContact CB-OG1 3.33Å; N53-T56 VanDerWaalsContact CG-OG1 3.24Å; N53-T56 PolarHBondContact O-N 3.21Å; N53-T56 PolarHBondContact OD1-N 2.78Å; N53-G57 PolarHBondContact O-N 3.01Å; N53-Q58 PolarHBondContact N-O 3.46Å; N53-E60 VanDerWaalsContact CB-CD 3.43Å; N53-E60 HydrophobicContact CB-CG 4.21Å; N53-E60 WeakPolarHBondContact CB-OE1 3.17Å; N53-E60 PolarHBondContact ND2-OE1 2.88Å; N53-E60 PolarHBondContact ND2-OE2 3.19Å
54	L	86.8	Confident	84.8	Confident	62 Å²	62	60.4 Å²	60.4	33%	0.325	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-16.3	-175.6	-45.6	178	0	0	0	114.9	A37 P39 M52 Y84 L87	A37-L54 WeakPolarHBondContact O-CD2 3.29Å; P39-L54 HydrophobicContact CB-CD2 3.93Å; M52-L54 PolarHBondContact O-N 3.05Å; L54-Y84 HydrophobicContact CD1-CD1 3.96Å; L54-Y84 HydrophobicContact CD1-CE1 4.2Å; L54-Y84 HydrophobicContact CD2-CD1 4.17Å; L54-Y84 HydrophobicContact CD2-CE1 3.66Å; L54-Y84 HydrophobicContact CG-CD1 4.16Å; L54-Y84 HydrophobicContact CG-CE1 3.87Å; L54-L87 HydrophobicContact CD1-CD1 3.83Å; L54-L87 HydrophobicContact CD1-CG 4.42Å
55	K	84.5	Confident	84.4	Confident	198 Å²	198	58 Å²	58	86%	0.861	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-30.1	-177.2	-59.2	170.2	-173.5	161.2	0	113.1	N53	N53-K55 PolarHBondContact O-N 3.17Å; N53-K55 WeakPolarHBondContact OD1-CB 3.27Å; N53-K55 PolarHBondContact OD1-N 3.1Å
56	T	83.4	Confident	84.3	Confident	74 Å²	74	57.2 Å²	57.2	45%	0.454	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-22.3	-177.8	56.7	0	0	0	0	112.4	N53 Q58 E60	N53-T56 VanDerWaalsContact CB-OG1 3.27Å; N53-T56 WeakPolarHBondContact CB-OG1 3.33Å; N53-T56 VanDerWaalsContact CG-OG1 3.24Å; N53-T56 PolarHBondContact O-N 3.21Å; N53-T56 PolarHBondContact OD1-N 2.78Å; T56-Q58 VanDerWaalsContact C-N 3.26Å; T56-Q58 PolarHBondContact OG1-N 2.98Å; T56-E60 PolarHBondContact OG1-OE1 3.49Å
57	G	84.5	Confident	84.2	Confident	43 Å²	43	58.7 Å²	58.7	44%	0.443	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	26.6	-172.9	0	0	0	0	0	113	M52 N53	M52-G57 VanDerWaalsContact SD-C 3.52Å; N53-G57 PolarHBondContact O-N 3.01Å
58	Q	85.7	Confident	83.7	Confident	127 Å²	127	58.9 Å²	58.9	59%	0.593	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.8	149	-176.2	-65.7	-175.8	-14.7	0	0	111.4	N53 T56 E60	N53-Q58 PolarHBondContact N-O 3.46Å; T56-Q58 VanDerWaalsContact C-N 3.26Å; T56-Q58 PolarHBondContact OG1-N 2.98Å; Q58-E60 PolarHBondContact O-N 2.96Å
59	W	88.8	Confident	83.4	Confident	51 Å²	51	59.2 Å²	59.2	19%	0.193	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	113.9	172	-71.7	106.2	0	0	0	109.8	Q40 A42 M50 H51 M52 V99 I101 P121	Q40-W59 HydrophobicContact CB-CH2 3.83Å; Q40-W59 WeakPolarHBondContact O-CZ3 3.27Å; A42-W59 HydrophobicContact CB-CE3 4.16Å; A42-W59 HydrophobicContact CB-CH2 3.88Å; A42-W59 HydrophobicContact CB-CZ3 3.67Å; M50-W59 HydrophobicContact CB-CE3 4.02Å; M50-W59 HydrophobicContact CE-CB 3.86Å; H51-W59 WeakPolarHBondContact O-CA 3.42Å; M52-W59 HydrophobicContact CB-CH2 4.4Å; M52-W59 HydrophobicContact CB-CZ3 4.26Å; M52-W59 HydrophobicContact CE-CD2 3.96Å; M52-W59 VanDerWaalsContact CE-CE2 3.45Å; M52-W59 HydrophobicContact CE-CG 4.34Å; M52-W59 HydrophobicContact CE-CH2 4.31Å; M52-W59 HydrophobicContact CE-CZ2 3.64Å; W59-V99 HydrophobicContact CZ2-CG2 3.81Å; W59-I101 HydrophobicContact CB-CD1 4.47Å; W59-I101 HydrophobicContact CB-CG2 4.34Å; W59-I101 HydrophobicContact CD2-CD1 3.65Å; W59-I101 HydrophobicContact CD2-CG1 4.21Å; W59-I101 HydrophobicContact CE3-CD1 4.02Å; W59-I101 HydrophobicContact CG-CD1 3.85Å; W59-I101 HydrophobicContact CG-CG1 4.01Å; W59-I101 HydrophobicContact CZ2-CD1 4.48Å; W59-P121 HydrophobicContact CH2-CB 3.67Å; W59-P121 HydrophobicContact CH2-CG 4.37Å; W59-P121 HydrophobicContact CZ2-CB 4.07Å; W59-P121 HydrophobicContact CZ2-CG 4.31Å
60	E	87.5	Confident	83.1	Confident	61 Å²	61	61.5 Å²	61.5	29%	0.285	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	141	177.3	-73.6	171.5	-161.3	0	0	109.7	H51 N53 T56 Q58	H51-E60 PolarHBondContact N-O 3.24Å; H51-E60 PolarHBondContact ND1-O 3.32Å; H51-E60 PolarHBondContact O-N 3.1Å; N53-E60 VanDerWaalsContact CB-CD 3.43Å; N53-E60 HydrophobicContact CB-CG 4.21Å; N53-E60 WeakPolarHBondContact CB-OE1 3.17Å; N53-E60 PolarHBondContact ND2-OE1 2.88Å; N53-E60 PolarHBondContact ND2-OE2 3.19Å; T56-E60 PolarHBondContact OG1-OE1 3.49Å; Q58-E60 PolarHBondContact O-N 2.96Å
61	P	87.1	Confident	82.2	Confident	62 Å²	62	69.9 Å²	69.9	40%	0.403	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	154.7	-179.1	31.3	-36	0	0	0	112.3	Q48 M50	Q48-P61 HydrophobicContact CG-CB 4.21Å; M50-P61 HydrophobicContact CE-CB 4.39Å; M50-P61 VanDerWaalsContact SD-CA 3.58Å; M50-P61 HydrophobicContact SD-CB 3.78Å
62	D	84.8	Confident	81.4	Confident	1 Å²	1	73.3 Å²	73.3	1%	0.005	39%	0.387	C	S	.	.			trans	-54.8	125	177.3	173.2	-88.6	0	0	0	110.9	Q48 L49 Q64 G65 R66 Y79	Q48-D62 HydrophobicContact CG-CB 4.29Å; Q48-D62 PolarHBondContact NE2-O 3.47Å; L49-D62 HydrophobicContact CB-CB 4.1Å; L49-D62 WeakPolarHBondContact O-CB 3.49Å; L49-D62 PolarHBondContact O-N 3.31Å; D62-Q64 PolarHBondContact O-N 3.47Å; D62-Q64 VanDerWaalsContact O-N 3.13Å; D62-Q64 VanDerWaalsContact OD1-C 3.27Å; D62-Q64 VanDerWaalsContact OD1-CA 3.26Å; D62-Q64 WeakPolarHBondContact OD1-CA 3.46Å; D62-Q64 VanDerWaalsContact OD1-CB 3.31Å; D62-Q64 WeakPolarHBondContact OD1-CB 3.37Å; D62-Q64 PolarHBondContact OD1-N 2.86Å; D62-G65 PolarHBondContact O-N 2.86Å; D62-G65 PolarHBondContact OD1-N 3.4Å; D62-R66 WeakPolarHBondContact OD1-CB 3.33Å; D62-R66 PolarHBondContact OD1-N 3.31Å; D62-R66 IonicContact OD1-NE 2.65Å; D62-R66 IonicContact OD2-CZ 3.86Å; D62-R66 IonicContact OD2-NE 3.8Å; D62-R66 PolarHBondContact OD2-NE 2.89Å; D62-R66 IonicContact OD2-NH2 3.76Å; D62-R66 PolarHBondContact OD2-NH2 3.06Å; D62-Y79 WeakPolarHBondContact CB-OH 3.44Å; D62-Y79 WeakPolarHBondContact OD2-CE2 3.36Å; D62-Y79 PolarHBondContact OD2-OH 3.28Å
63	P	80.8	Confident	80.6	Confident	105 Å²	105	76.1 Å²	76.1	68%	0.682	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-8.4	-172.7	29.1	-36.2	0	0	0	114	M83	P63-M83 HydrophobicContact CG-CE 4.19Å
64	Q	79.5	Confident	80	Confident	119 Å²	119	77.3 Å²	77.3	56%	0.556	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-4.4	175.5	-56.1	175.4	26.3	0	0	112.1	D62 R66 E82	D62-Q64 PolarHBondContact O-N 3.47Å; D62-Q64 VanDerWaalsContact O-N 3.13Å; D62-Q64 VanDerWaalsContact OD1-C 3.27Å; D62-Q64 VanDerWaalsContact OD1-CA 3.26Å; D62-Q64 WeakPolarHBondContact OD1-CA 3.46Å; D62-Q64 VanDerWaalsContact OD1-CB 3.31Å; D62-Q64 WeakPolarHBondContact OD1-CB 3.37Å; D62-Q64 PolarHBondContact OD1-N 2.86Å; Q64-R66 VanDerWaalsContact C-N 3.33Å; Q64-R66 HydrophobicContact CB-CG 4.08Å; Q64-E82 PolarHBondContact NE2-OE1 2.94Å
65	G	75.4	Confident	79.8	Confident	28 Å²	28	78.5 Å²	78.5	29%	0.289	42%	0.417	S	S	.	.			trans	76.3	16.1	-176.8	0	0	0	0	0	114.6	D62 Q67	D62-G65 PolarHBondContact O-N 2.86Å; D62-G65 PolarHBondContact OD1-N 3.4Å; G65-Q67 PolarHBondContact O-NE2 3.38Å
66	R	79.6	Confident	79.9	Confident	65 Å²	65	69.3 Å²	69.3	25%	0.245	38%	0.377	C	S	.	.			trans	-63.2	140.4	-176.9	-69.4	-177.8	-65.1	-173.7	-6.7	111.6	Q48 L49 D62 Q64 E82	Q48-R66 CarbonylContact C-O 3.54Å; Q48-R66 VanDerWaalsContact CA-O 3.32Å; Q48-R66 WeakPolarHBondContact CA-O 3.42Å; L49-R66 HydrophobicContact CD1-CB 4.04Å; L49-R66 PolarHBondContact N-O 2.95Å; D62-R66 WeakPolarHBondContact OD1-CB 3.33Å; D62-R66 PolarHBondContact OD1-N 3.31Å; D62-R66 IonicContact OD1-NE 2.65Å; D62-R66 IonicContact OD2-CZ 3.86Å; D62-R66 IonicContact OD2-NE 3.8Å; D62-R66 PolarHBondContact OD2-NE 2.89Å; D62-R66 IonicContact OD2-NH2 3.76Å; D62-R66 PolarHBondContact OD2-NH2 3.06Å; Q64-R66 VanDerWaalsContact C-N 3.33Å; Q64-R66 HydrophobicContact CB-CG 4.08Å; R66-E82 IonicContact CZ-OE2 3.84Å; R66-E82 IonicContact NH1-OE1 2.76Å; R66-E82 IonicContact NH1-OE2 3.65Å; R66-E82 PolarHBondContact NH1-OE2 2.85Å; R66-E82 IonicContact NH2-OE1 2.82Å; R66-E82 IonicContact NH2-OE2 3.84Å; R66-E82 PolarHBondContact NH2-OE2 2.81Å
67	Q	71.3	Confident	79.9	Confident	79 Å²	79	67.3 Å²	67.3	37%	0.369	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	143.1	-171.8	-74	158.2	62.3	0	0	109.8	R47 Q48 G65	R47-Q67 VanDerWaalsContact O-CA 3.26Å; R47-Q67 WeakPolarHBondContact O-CA 3.29Å; R47-Q67 WeakPolarHBondContact O-CB 3.41Å; R47-Q67 WeakPolarHBondContact O-CG 3.26Å; Q48-Q67 HydrophobicContact CB-CG 4.21Å; G65-Q67 PolarHBondContact O-NE2 3.38Å
68	G	67	Low	79.9	Confident	23 Å²	23	68.6 Å²	68.6	24%	0.237	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	143.3	-174.4	-179.9	0	0	0	0	0	112.2	R47 L49	R47-G68 PolarHBondContact O-N 2.93Å; L49-G68 WeakPolarHBondContact CD2-O 3.37Å
69	C	77.7	Confident	80.1	Confident	48 Å²	48	62.7 Å²	62.7	32%	0.324	34%	0.338	S	S	.	.			trans	-133.8	114.7	168.3	44.9	0	0	0	0	104.9	C45	C45-C69 HydrophobicContact CB-CB 4.1Å; C45-C69 WeakPolarHBondContact CB-SG 3.39Å; C45-C69 WeakPolarHBondContact SG-CB 3.43Å; C45-C69 CovalentContact SG-SG 2.04Å; C45-C69 PolarHBondContact SG-SG 2.89Å
70	F	81.8	Confident	80.2	Confident	50 Å²	50	60.2 Å²	60.2	22%	0.219	33%	0.329	C	S	.	.			trans	-64	137.6	177	-61.5	-53.1	0	0	0	109.1	M43 L49 E75 I76 Y79	M43-F70 HydrophobicContact CE-CB 4.26Å; M43-F70 HydrophobicContact SD-CB 3.96Å; M43-F70 HydrophobicContact SD-CD2 3.39Å; M43-F70 WeakPolarHBondContact SD-CD2 3.24Å; M43-F70 HydrophobicContact SD-CE2 4.19Å; M43-F70 HydrophobicContact SD-CG 3.99Å; L49-F70 HydrophobicContact CD1-CE1 4.44Å; L49-F70 HydrophobicContact CD1-CE2 3.69Å; L49-F70 HydrophobicContact CD1-CZ 3.5Å; L49-F70 HydrophobicContact CD2-CE2 4.3Å; F70-E75 WeakPolarHBondContact CA-OE2 3.43Å; F70-E75 HydrophobicContact CB-CB 3.78Å; F70-E75 WeakPolarHBondContact CB-OE2 3.47Å; F70-E75 HydrophobicContact CD1-CB 3.6Å; F70-E75 HydrophobicContact CD1-CG 4.28Å; F70-E75 WeakPolarHBondContact CD1-OE2 3.47Å; F70-E75 HydrophobicContact CD2-CB 4.43Å; F70-E75 HydrophobicContact CE1-CB 4.31Å; F70-E75 HydrophobicContact CG-CB 3.68Å; F70-I76 HydrophobicContact CB-CD1 4.39Å; F70-I76 HydrophobicContact CB-CG1 3.53Å; F70-I76 HydrophobicContact CD2-CG1 4.06Å; F70-I76 HydrophobicContact CG-CG1 4.24Å; F70-Y79 VanDerWaalsContact CE2-CB 3.5Å; F70-Y79 HydrophobicContact CE2-CD1 4.21Å; F70-Y79 AromaticContact CE2-CD2 3.75Å; F70-Y79 HydrophobicContact CE2-CD2 3.75Å; F70-Y79 AromaticContact CE2-CG 3.55Å; F70-Y79 HydrophobicContact CE2-CG 3.55Å; F70-Y79 AromaticContact CZ-CD2 3.74Å; F70-Y79 HydrophobicContact CZ-CD2 3.74Å; F70-Y79 AromaticContact CZ-CG 3.99Å; F70-Y79 HydrophobicContact CZ-CG 3.99Å
71	K	70	Confident	80.3	Confident	188 Å²	188	61.5 Å²	61.5	82%	0.817	34%	0.335	S	S	*	.			trans	-94.6	-32.8	176.4	-68.2	-170.2	177	-172.9	0	111.4	E75	K71-E75 PolarHBondContact N-OE2 2.69Å
72	D	74.3	Confident	80.4	Confident	99 Å²	99	62.7 Å²	62.7	53%	0.529	34%	0.335	S	S	.	.	S	Bend	trans	-93.7	131.8	-176.3	-62.3	-31.6	0	0	0	111.5	N74 E75 I76	D72-N74 PolarHBondContact O-N 2.66Å; D72-E75 HydrophobicContact CB-CG 4.18Å; D72-E75 WeakPolarHBondContact O-CB 3.31Å; D72-E75 PolarHBondContact O-N 2.98Å; D72-I76 PolarHBondContact O-N 3.41Å
73	P	74.8	Confident	80.6	Confident	79 Å²	79	63.9 Å²	63.9	51%	0.513	34%	0.34	S	S	.	.	H	α-helix	trans	-53.3	-30.2	175.9	-30.1	37	0	0	0	114.3	I76 L77 I92	P73-I76 PolarHBondContact O-N 3.21Å; P73-L77 WeakPolarHBondContact O-CB 3.39Å; P73-L77 PolarHBondContact O-N 2.99Å; P73-I92 HydrophobicContact CB-CD1 4.15Å; P73-I92 WeakPolarHBondContact O-CD1 3.45Å
74	N	75.8	Confident	81.2	Confident	62 Å²	62	59.4 Å²	59.4	33%	0.332	31%	0.31	S	S	.	.	H	α-helix	trans	-69.4	-32.6	177.2	-70	-21.4	0	0	0	113.4	D72 S78 D183	D72-N74 PolarHBondContact O-N 2.66Å; N74-S78 VanDerWaalsContact O-CB 3.26Å; N74-S78 WeakPolarHBondContact O-CB 3.26Å; N74-S78 PolarHBondContact O-N 3.43Å; N74-S78 PolarHBondContact O-OG 2.84Å; N74-D183 VanDerWaalsContact ND2-CG 3.26Å; N74-D183 PolarHBondContact ND2-OD1 3.46Å; N74-D183 PolarHBondContact ND2-OD2 3.16Å
75	E	81.9	Confident	81.4	Confident	86 Å²	86	58.6 Å²	58.6	40%	0.402	32%	0.315	S	S	.	.	H	α-helix	trans	-68.2	-45.2	173.8	-67.3	-174.7	128.1	0	0	110.2	F70 K71 D72 L77 S78 Y79	F70-E75 WeakPolarHBondContact CA-OE2 3.43Å; F70-E75 HydrophobicContact CB-CB 3.78Å; F70-E75 WeakPolarHBondContact CB-OE2 3.47Å; F70-E75 HydrophobicContact CD1-CB 3.6Å; F70-E75 HydrophobicContact CD1-CG 4.28Å; F70-E75 WeakPolarHBondContact CD1-OE2 3.47Å; F70-E75 HydrophobicContact CD2-CB 4.43Å; F70-E75 HydrophobicContact CE1-CB 4.31Å; F70-E75 HydrophobicContact CG-CB 3.68Å; K71-E75 PolarHBondContact N-OE2 2.69Å; D72-E75 HydrophobicContact CB-CG 4.18Å; D72-E75 WeakPolarHBondContact O-CB 3.31Å; D72-E75 PolarHBondContact O-N 2.98Å; E75-L77 PolarHBondContact O-N 2.95Å; E75-S78 PolarHBondContact O-N 2.9Å; E75-Y79 WeakPolarHBondContact O-CB 3.46Å; E75-Y79 PolarHBondContact O-N 3.03Å
76	I	85.6	Confident	81.9	Confident	6 Å²	6	63.7 Å²	63.7	3%	0.031	34%	0.341	C	S	.	.	H	α-helix	trans	-59.5	-45.8	176.5	-56.6	173.1	0	0	0	110.3	I41 M43 F70 D72 P73 Y79 C80 I92 Y122	I41-I76 HydrophobicContact CD1-CG2 3.72Å; M43-I76 HydrophobicContact CE-CD1 3.74Å; M43-I76 HydrophobicContact CE-CG1 3.87Å; M43-I76 HydrophobicContact SD-CG1 4.42Å; F70-I76 HydrophobicContact CB-CD1 4.39Å; F70-I76 HydrophobicContact CB-CG1 3.53Å; F70-I76 HydrophobicContact CD2-CG1 4.06Å; F70-I76 HydrophobicContact CG-CG1 4.24Å; D72-I76 PolarHBondContact O-N 3.41Å; P73-I76 PolarHBondContact O-N 3.21Å; I76-Y79 PolarHBondContact O-N 3.22Å; I76-C80 WeakPolarHBondContact O-CB 3.44Å; I76-C80 PolarHBondContact O-N 3.25Å; I76-I92 HydrophobicContact CB-CD1 3.58Å; I76-I92 HydrophobicContact CD1-CD1 4.37Å; I76-I92 HydrophobicContact CG2-CD1 3.51Å; I76-I92 HydrophobicContact CG2-CG2 4.3Å; I76-Y122 HydrophobicContact CD1-CD1 4.39Å; I76-Y122 HydrophobicContact CD1-CE1 4.01Å; I76-Y122 HydrophobicContact CD1-CE2 4.38Å; I76-Y122 HydrophobicContact CG2-CD1 4.05Å; I76-Y122 HydrophobicContact CG2-CD2 4.43Å; I76-Y122 HydrophobicContact CG2-CG 3.91Å
77	L	83.1	Confident	82.2	Confident	32 Å²	32	62.5 Å²	62.5	17%	0.168	34%	0.339	C	S	.	.	H	α-helix	trans	-64.6	-42.9	176	177.2	59.2	0	0	0	112.4	P73 E75 Y79 C80 Q81 I89 I92	P73-L77 WeakPolarHBondContact O-CB 3.39Å; P73-L77 PolarHBondContact O-N 2.99Å; E75-L77 PolarHBondContact O-N 2.95Å; L77-Y79 VanDerWaalsContact C-N 3.33Å; L77-Y79 PolarHBondContact O-N 2.92Å; L77-C80 WeakPolarHBondContact O-CB 3.39Å; L77-C80 PolarHBondContact O-N 2.78Å; L77-Q81 HydrophobicContact CD1-CG 4.44Å; L77-Q81 WeakPolarHBondContact O-CG 3.44Å; L77-Q81 PolarHBondContact O-N 2.84Å; L77-I89 HydrophobicContact CD1-CG2 3.85Å; L77-I92 HydrophobicContact CB-CG2 4.25Å; L77-I92 HydrophobicContact CD1-CG2 4.16Å
78	S	86	Confident	82.7	Confident	69 Å²	69	62.9 Å²	62.9	48%	0.483	35%	0.348	S	S	.	.	H	α-helix	trans	-62.9	-41.2	177	-61.4	0	0	0	0	111.5	N74 E75 Q81 E82	N74-S78 VanDerWaalsContact O-CB 3.26Å; N74-S78 WeakPolarHBondContact O-CB 3.26Å; N74-S78 PolarHBondContact O-N 3.43Å; N74-S78 PolarHBondContact O-OG 2.84Å; E75-S78 PolarHBondContact O-N 2.9Å; S78-Q81 PolarHBondContact O-N 2.92Å; S78-E82 PolarHBondContact O-N 2.82Å
79	Y	89.9	Confident	83.6	Confident	3 Å²	3	62.2 Å²	62.2	1%	0.012	34%	0.339	C	S	.	.	H	α-helix	trans	-66.5	-43.7	175.4	-176.5	-89.3	0	0	0	111.8	I41 L49 D62 F70 E75 I76 L77 Q81 E82 M83	I41-Y79 HydrophobicContact CB-CD1 4.24Å; I41-Y79 HydrophobicContact CB-CE1 4.06Å; I41-Y79 HydrophobicContact CD1-CD1 3.62Å; I41-Y79 HydrophobicContact CD1-CE1 4.29Å; I41-Y79 HydrophobicContact CG2-CD1 3.89Å; I41-Y79 HydrophobicContact CG2-CE1 3.7Å; L49-Y79 HydrophobicContact CB-CE1 4.37Å; L49-Y79 HydrophobicContact CB-CE2 4.05Å; L49-Y79 VanDerWaalsContact CB-OH 3.29Å; L49-Y79 WeakPolarHBondContact CB-OH 3.49Å; L49-Y79 HydrophobicContact CD1-CD2 3.85Å; L49-Y79 HydrophobicContact CD1-CE2 3.42Å; L49-Y79 VanDerWaalsContact CD1-CE2 3.42Å; L49-Y79 HydrophobicContact CG-CE2 4.36Å; D62-Y79 WeakPolarHBondContact CB-OH 3.44Å; D62-Y79 WeakPolarHBondContact OD2-CE2 3.36Å; D62-Y79 PolarHBondContact OD2-OH 3.28Å; F70-Y79 VanDerWaalsContact CE2-CB 3.5Å; F70-Y79 HydrophobicContact CE2-CD1 4.21Å; F70-Y79 AromaticContact CE2-CD2 3.75Å; F70-Y79 HydrophobicContact CE2-CD2 3.75Å; F70-Y79 AromaticContact CE2-CG 3.55Å; F70-Y79 HydrophobicContact CE2-CG 3.55Å; F70-Y79 AromaticContact CZ-CD2 3.74Å; F70-Y79 HydrophobicContact CZ-CD2 3.74Å; F70-Y79 AromaticContact CZ-CG 3.99Å; F70-Y79 HydrophobicContact CZ-CG 3.99Å; E75-Y79 WeakPolarHBondContact O-CB 3.46Å; E75-Y79 PolarHBondContact O-N 3.03Å; I76-Y79 PolarHBondContact O-N 3.22Å; L77-Y79 VanDerWaalsContact C-N 3.33Å; L77-Y79 PolarHBondContact O-N 2.92Å; Y79-Q81 VanDerWaalsContact C-N 3.29Å; Y79-Q81 PolarHBondContact O-N 2.03Å; Y79-E82 PolarHBondContact O-N 3.37Å; Y79-M83 HydrophobicContact CD1-CG 3.9Å; Y79-M83 HydrophobicContact CD2-CG 4.47Å; Y79-M83 HydrophobicContact CE1-CG 3.45Å; Y79-M83 VanDerWaalsContact CE1-CG 3.45Å; Y79-M83 HydrophobicContact CE2-CG 4.07Å; Y79-M83 HydrophobicContact CE2-SD 4.28Å; Y79-M83 HydrophobicContact CG-CG 4.38Å; Y79-M83 WeakPolarHBondContact O-CB 3.06Å; Y79-M83 WeakPolarHBondContact O-CG 3.48Å; Y79-M83 PolarHBondContact O-N 3.37Å
80	C	90.3	Very high	83.7	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-52.9	-45.3	170.1	-91	0	0	0	0	112.2	I41 I76 L77 Y84 I89 I92 C124	I41-C80 VanDerWaalsContact CD1-SG 3.52Å; I76-C80 WeakPolarHBondContact O-CB 3.44Å; I76-C80 PolarHBondContact O-N 3.25Å; L77-C80 WeakPolarHBondContact O-CB 3.39Å; L77-C80 PolarHBondContact O-N 2.78Å; C80-Y84 WeakPolarHBondContact O-CB 3.39Å; C80-Y84 WeakPolarHBondContact O-CD2 3.49Å; C80-Y84 PolarHBondContact O-N 3.07Å; C80-I89 HydrophobicContact CB-CG2 4.11Å; C80-I92 HydrophobicContact CB-CG2 4.41Å; C80-C124 HydrophobicContact CB-CB 3.63Å; C80-C124 WeakPolarHBondContact CB-SG 3.46Å; C80-C124 VanDerWaalsContact SG-CA 3.59Å; C80-C124 WeakPolarHBondContact SG-CB 3.43Å; C80-C124 CovalentContact SG-SG 2.03Å; C80-C124 PolarHBondContact SG-SG 2.95Å
81	Q	89	Confident	83.4	Confident	88 Å²	88	62 Å²	62	41%	0.411	34%	0.338	S	S	.	.	H	α-helix	trans	-68.1	-34.7	179.4	-74	172.8	-4.9	0	0	113	L77 S78 Y79 Y84 P85 I89	L77-Q81 HydrophobicContact CD1-CG 4.44Å; L77-Q81 WeakPolarHBondContact O-CG 3.44Å; L77-Q81 PolarHBondContact O-N 2.84Å; S78-Q81 PolarHBondContact O-N 2.92Å; Y79-Q81 VanDerWaalsContact C-N 3.29Å; Y79-Q81 PolarHBondContact O-N 2.03Å; Q81-Y84 CarbonylContact O-C 3.59Å; Q81-P85 WeakPolarHBondContact O-CA 3.38Å; Q81-I89 HydrophobicContact CG-CB 4Å; Q81-I89 PolarHBondContact NE2-O 2.7Å
82	E	89.4	Confident	84.1	Confident	87 Å²	87	54.8 Å²	54.8	41%	0.407	31%	0.309	S	S	.	.	H	α-helix	trans	-73.9	-37.5	176.2	-169.8	-176.9	-176.3	0	0	112.9	Q64 R66 S78 Y79 P85	Q64-E82 PolarHBondContact NE2-OE1 2.94Å; R66-E82 IonicContact CZ-OE2 3.84Å; R66-E82 IonicContact NH1-OE1 2.76Å; R66-E82 IonicContact NH1-OE2 3.65Å; R66-E82 PolarHBondContact NH1-OE2 2.85Å; R66-E82 IonicContact NH2-OE1 2.82Å; R66-E82 IonicContact NH2-OE2 3.84Å; R66-E82 PolarHBondContact NH2-OE2 2.81Å; S78-E82 PolarHBondContact O-N 2.82Å; Y79-E82 PolarHBondContact O-N 3.37Å; E82-P85 WeakPolarHBondContact O-CD 3.08Å
83	M	90.1	Very high	84.6	Confident	25 Å²	25	52.8 Å²	52.8	12%	0.123	30%	0.296	C	S	.	.	H	α-helix	trans	-78.7	-26.1	178.6	-63.9	-47.6	-60.9	0	0	113	H51 P63 Y79 P85	H51-M83 HydrophobicContact CB-CB 4.49Å; H51-M83 HydrophobicContact CB-CE 4.26Å; H51-M83 WeakPolarHBondContact CD2-CE 3.05Å; H51-M83 WeakPolarHBondContact NE2-CE 3.46Å; P63-M83 HydrophobicContact CG-CE 4.19Å; Y79-M83 HydrophobicContact CD1-CG 3.9Å; Y79-M83 HydrophobicContact CD2-CG 4.47Å; Y79-M83 HydrophobicContact CE1-CG 3.45Å; Y79-M83 VanDerWaalsContact CE1-CG 3.45Å; Y79-M83 HydrophobicContact CE2-CG 4.07Å; Y79-M83 HydrophobicContact CE2-SD 4.28Å; Y79-M83 HydrophobicContact CG-CG 4.38Å; Y79-M83 WeakPolarHBondContact O-CB 3.06Å; Y79-M83 WeakPolarHBondContact O-CG 3.48Å; Y79-M83 PolarHBondContact O-N 3.37Å; M83-P85 WeakPolarHBondContact O-CD 3.46Å
84	Y	91.8	Very high	85.1	Confident	11 Å²	11	53.6 Å²	53.6	4%	0.043	29%	0.293	C	S	.	.			trans	-120.2	55.3	177.1	-58.3	-65.9	0	0	0	113.6	P39 Q40 I41 M52 L54 C80 Q81 V86 L87 C124	P39-Y84 HydrophobicContact CB-CD1 3.93Å; P39-Y84 HydrophobicContact CB-CD2 3.67Å; P39-Y84 HydrophobicContact CB-CE1 3.94Å; P39-Y84 HydrophobicContact CB-CE2 3.66Å; P39-Y84 HydrophobicContact CB-CG 3.79Å; Q40-Y84 PolarHBondContact N-OH 3.43Å; Q40-Y84 VanDerWaalsContact N-OH 3.17Å; Q40-Y84 PolarHBondContact O-OH 3.2Å; I41-Y84 HydrophobicContact CG2-CE2 4.03Å; M52-Y84 WeakPolarHBondContact CA-OH 3.45Å; M52-Y84 PolarHBondContact N-OH 2.98Å; M52-Y84 WeakPolarHBondContact O-CE1 3.38Å; M52-Y84 PolarHBondContact O-OH 3.25Å; L54-Y84 HydrophobicContact CD1-CD1 3.96Å; L54-Y84 HydrophobicContact CD1-CE1 4.2Å; L54-Y84 HydrophobicContact CD2-CD1 4.17Å; L54-Y84 HydrophobicContact CD2-CE1 3.66Å; L54-Y84 HydrophobicContact CG-CD1 4.16Å; L54-Y84 HydrophobicContact CG-CE1 3.87Å; C80-Y84 WeakPolarHBondContact O-CB 3.39Å; C80-Y84 WeakPolarHBondContact O-CD2 3.49Å; C80-Y84 PolarHBondContact O-N 3.07Å; Q81-Y84 CarbonylContact O-C 3.59Å; Y84-V86 PolarHBondContact O-N 3.14Å; Y84-L87 HydrophobicContact CD1-CD1 4.47Å; Y84-L87 HydrophobicContact CG-CD1 4.44Å; Y84-L87 PolarHBondContact O-N 2.96Å; Y84-C124 HydrophobicContact CD2-CB 4.07Å; Y84-C124 HydrophobicContact CE2-CB 4.4Å
85	P	85.6	Confident	85.2	Confident	102 Å²	102	51.1 Å²	51.1	66%	0.662	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	3.7	-170	33.8	-38.3	0	0	0	114.3	Q81 E82 M83	Q81-P85 WeakPolarHBondContact O-CA 3.38Å; E82-P85 WeakPolarHBondContact O-CD 3.08Å; M83-P85 WeakPolarHBondContact O-CD 3.46Å
86	V	85.3	Confident	84.7	Confident	136 Å²	136	55.2 Å²	55.2	82%	0.824	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-13.9	174.9	-171.1	0	0	0	0	111.1	Y84	Y84-V86 PolarHBondContact O-N 3.14Å
87	L	85.1	Confident	83.9	Confident	40 Å²	40	64.7 Å²	64.7	21%	0.209	33%	0.332	C	S	.	.	S	Bend	trans	-105.8	140.4	-177.9	-57	-173.7	0	0	0	110.7	P39 L54 Y84 I89 E126	P39-L87 HydrophobicContact CB-CD1 3.75Å; P39-L87 HydrophobicContact CG-CD1 3.71Å; L54-L87 HydrophobicContact CD1-CD1 3.83Å; L54-L87 HydrophobicContact CD1-CG 4.42Å; Y84-L87 HydrophobicContact CD1-CD1 4.47Å; Y84-L87 HydrophobicContact CG-CD1 4.44Å; Y84-L87 PolarHBondContact O-N 2.96Å; L87-I89 HydrophobicContact CB-CD1 3.62Å; L87-I89 HydrophobicContact CB-CG1 4.18Å; L87-I89 HydrophobicContact CD1-CD1 4.2Å; L87-I89 PolarHBondContact O-N 3.4Å; L87-E126 HydrophobicContact CB-CG 4.03Å; L87-E126 HydrophobicContact CD1-CG 4.43Å
88	P	82.9	Confident	83.9	Confident	87 Å²	87	67.1 Å²	67.1	57%	0.565	35%	0.35	S	S	*	.			trans	-79.7	67.1	177.1	34.9	-36.5	0	0	0	111.2	S90 E126 G127	P88-S90 PolarHBondContact O-N 3.37Å; P88-E126 WeakPolarHBondContact CD-OE2 3.23Å; P88-E126 HydrophobicContact CG-CB 4.39Å; P88-E126 HydrophobicContact CG-CG 4.43Å; P88-G127 PolarHBondContact O-N 3.17Å
89	I	86	Confident	83.8	Confident	9 Å²	9	65.5 Å²	65.5	5%	0.046	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	120.7	178.6	-48.2	-53.1	0	0	0	110.2	P39 L77 C80 Q81 L87 C124 V125 E126	P39-I89 HydrophobicContact CG-CD1 4.48Å; L77-I89 HydrophobicContact CD1-CG2 3.85Å; C80-I89 HydrophobicContact CB-CG2 4.11Å; Q81-I89 HydrophobicContact CG-CB 4Å; Q81-I89 PolarHBondContact NE2-O 2.7Å; L87-I89 HydrophobicContact CB-CD1 3.62Å; L87-I89 HydrophobicContact CB-CG1 4.18Å; L87-I89 HydrophobicContact CD1-CD1 4.2Å; L87-I89 PolarHBondContact O-N 3.4Å; I89-C124 HydrophobicContact CD1-CB 3.83Å; I89-C124 HydrophobicContact CG1-CB 4.1Å; I89-C124 HydrophobicContact CG2-CB 3.84Å; I89-V125 WeakPolarHBondContact CA-O 3.49Å; I89-E126 HydrophobicContact CD1-CG 3.94Å
90	S	78.3	Confident	83.6	Confident	43 Å²	43	69.1 Å²	69.1	30%	0.301	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-26.7	-178.5	60.7	0	0	0	0	114.4	P88 V125 G127	P88-S90 PolarHBondContact O-N 3.37Å; S90-V125 PolarHBondContact N-O 2.94Å; S90-G127 WeakPolarHBondContact CB-O 3.31Å; S90-G127 PolarHBondContact OG-O 3.44Å
91	H	76.7	Confident	83.1	Confident	49 Å²	49	69.2 Å²	69.2	23%	0.227	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	174.8	-179.3	62.1	-71.6	0	0	0	110.6	V125 Y129	H91-V125 WeakPolarHBondContact CE1-CG1 3.36Å; H91-V125 WeakPolarHBondContact NE2-CB 3.36Å; H91-V125 WeakPolarHBondContact NE2-CG1 3.4Å; H91-V125 PolarHBondContact O-N 3.41Å; H91-Y129 HydrophobicContact CB-CD2 4.48Å
92	I	84.8	Confident	82.4	Confident	38 Å²	38	70.8 Å²	70.8	20%	0.195	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	146.6	-180	53.4	174.5	0	0	0	109.9	P73 I76 L77 C80 Y122 R123	P73-I92 HydrophobicContact CB-CD1 4.15Å; P73-I92 WeakPolarHBondContact O-CD1 3.45Å; I76-I92 HydrophobicContact CB-CD1 3.58Å; I76-I92 HydrophobicContact CD1-CD1 4.37Å; I76-I92 HydrophobicContact CG2-CD1 3.51Å; I76-I92 HydrophobicContact CG2-CG2 4.3Å; L77-I92 HydrophobicContact CB-CG2 4.25Å; L77-I92 HydrophobicContact CD1-CG2 4.16Å; C80-I92 HydrophobicContact CB-CG2 4.41Å; I92-Y122 HydrophobicContact CD1-CD1 4.44Å; I92-R123 VanDerWaalsContact CA-O 3.27Å; I92-R123 WeakPolarHBondContact CA-O 3.33Å
93	E	83.4	Confident	81.3	Confident	57 Å²	57	69.2 Å²	69.2	27%	0.266	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132	174.3	-172.7	-162.1	-170.1	0	0	108.4	K96 R123 V125	E93-K96 IonicContact OE1-NZ 3.11Å; E93-K96 PolarHBondContact OE1-NZ 3.5Å; E93-R123 HydrophobicContact CB-CB 4.43Å; E93-R123 PolarHBondContact N-O 3.43Å; E93-R123 PolarHBondContact O-N 3.23Å; E93-R123 IonicContact OE2-CZ 2.71Å; E93-R123 IonicContact OE2-NH1 2.8Å; E93-R123 PolarHBondContact OE2-NH1 3.05Å; E93-V125 HydrophobicContact CB-CG2 4.09Å
94	E	85.3	Confident	80.8	Confident	96 Å²	96	68.1 Å²	68.1	45%	0.449	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	134.6	172.1	-163.6	-178.2	-171.3	0	0	110.5	K96 L120 Y122	E94-K96 PolarHBondContact O-N 2.83Å; E94-L120 HydrophobicContact CG-CB 4.2Å; E94-L120 HydrophobicContact CG-CD2 4.09Å; E94-L120 WeakPolarHBondContact OE1-CB 3.26Å; E94-L120 WeakPolarHBondContact OE1-CD2 3.24Å; E94-Y122 HydrophobicContact CB-CD1 4.3Å; E94-Y122 HydrophobicContact CB-CE1 4.08Å; E94-Y122 HydrophobicContact CG-CE1 4.21Å
95	S	78.3	Confident	79.6	Confident	9 Å²	9	69 Å²	69	6%	0.063	37%	0.372	C	S	.	.			trans	-71.8	123.4	-175	-63.4	0	0	0	0	112	R97 L120 P121 R123	S95-R97 PolarHBondContact O-N 2.7Å; S95-L120 WeakPolarHBondContact O-CD2 3.29Å; S95-L120 WeakPolarHBondContact O-CG 3.42Å; S95-P121 WeakPolarHBondContact CB-O 3.23Å; S95-P121 PolarHBondContact N-O 3.45Å; S95-P121 PolarHBondContact OG-O 2.86Å; S95-R123 VanDerWaalsContact OG-CG 3.24Å; S95-R123 WeakPolarHBondContact OG-CG 3.32Å
96	K	71.8	Confident	78.4	Confident	173 Å²	173	69.6 Å²	69.6	75%	0.752	36%	0.363	S	S	*	.	S	Bend	trans	-64.4	17.3	173	-69	151.5	179.1	154.3	0	114.8	E93 E94	E93-K96 IonicContact OE1-NZ 3.11Å; E93-K96 PolarHBondContact OE1-NZ 3.5Å; E94-K96 PolarHBondContact O-N 2.83Å
97	R	69.3	Low	76.9	Confident	205 Å²	205	70.8 Å²	70.8	77%	0.774	36%	0.358	S	S	*	.	S	Bend	trans	-150.1	130.9	176.8	-65.8	-174.5	-179.2	160.3	2.3	110	S95	S95-R97 PolarHBondContact O-N 2.7Å
98	P	83.4	Confident	75.4	Confident	83 Å²	83	72.9 Å²	72.9	54%	0.539	39%	0.389	S	S	.	.			trans	-68.9	154.7	170.5	29.5	-34.5	0	0	0	111.6	I118 V119 L120	P98-I118 HydrophobicContact CB-CG2 3.65Å; P98-I118 HydrophobicContact CG-CG2 4.46Å; P98-V119 CarbonylContact C-O 3.24Å; P98-V119 WeakPolarHBondContact CA-O 3.49Å; P98-L120 HydrophobicContact CB-CD1 3.94Å
99	V	84	Confident	74	Confident	34 Å²	34	74.5 Å²	74.5	21%	0.206	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.7	172.5	-57.1	0	0	0	0	110.6	W59 I101 I118 V119 P121	W59-V99 HydrophobicContact CZ2-CG2 3.81Å; V99-I101 HydrophobicContact CG2-CD1 4.38Å; V99-I101 HydrophobicContact CG2-CG1 4.14Å; V99-I118 WeakPolarHBondContact O-CA 3.4Å; V99-V119 HydrophobicContact CG2-CG2 4.03Å; V99-V119 PolarHBondContact N-O 2.94Å; V99-V119 PolarHBondContact O-N 3.33Å; V99-P121 HydrophobicContact CB-CG 4.49Å; V99-P121 HydrophobicContact CG1-CG 3.82Å; V99-P121 HydrophobicContact CG2-CB 4.4Å; V99-P121 HydrophobicContact CG2-CG 3.86Å
100	T	84.1	Confident	72.4	Confident	79 Å²	79	82.6 Å²	82.6	49%	0.485	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	111.9	177.2	-47.4	0	0	0	0	110.1	P116 L117 I118	T100-P116 HydrophobicContact CG2-CB 3.45Å; T100-P116 VanDerWaalsContact CG2-CB 3.45Å; T100-L117 CarbonylContact C-O 3.54Å; T100-L117 WeakPolarHBondContact CA-O 3.45Å; T100-I118 HydrophobicContact CG2-CG1 4.27Å
101	I	81.6	Confident	71.1	Confident	3 Å²	3	87.5 Å²	87.5	2%	0.015	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	128.9	177.3	-56.4	-172.3	0	0	0	109.1	A42 M50 W59 V99 W104 L117 V119	A42-I101 HydrophobicContact CB-CD1 3.47Å; A42-I101 VanDerWaalsContact CB-CD1 3.47Å; M50-I101 HydrophobicContact CB-CD1 4.33Å; M50-I101 HydrophobicContact CE-CG2 4.26Å; M50-I101 HydrophobicContact CG-CD1 4.47Å; W59-I101 HydrophobicContact CB-CD1 4.47Å; W59-I101 HydrophobicContact CB-CG2 4.34Å; W59-I101 HydrophobicContact CD2-CD1 3.65Å; W59-I101 HydrophobicContact CD2-CG1 4.21Å; W59-I101 HydrophobicContact CE3-CD1 4.02Å; W59-I101 HydrophobicContact CG-CD1 3.85Å; W59-I101 HydrophobicContact CG-CG1 4.01Å; W59-I101 HydrophobicContact CZ2-CD1 4.48Å; V99-I101 HydrophobicContact CG2-CD1 4.38Å; V99-I101 HydrophobicContact CG2-CG1 4.14Å; I101-W104 HydrophobicContact CB-CE3 3.89Å; I101-W104 HydrophobicContact CB-CZ3 4.19Å; I101-W104 HydrophobicContact CD1-CE3 4.27Å; I101-W104 HydrophobicContact CD1-CH2 4.14Å; I101-W104 HydrophobicContact CD1-CZ3 3.84Å; I101-W104 HydrophobicContact CG1-CZ3 4.35Å; I101-W104 HydrophobicContact CG2-CD2 4.32Å; I101-W104 HydrophobicContact CG2-CE3 4.03Å; I101-L117 PolarHBondContact N-O 2.89Å; I101-L117 PolarHBondContact O-N 3.21Å; I101-V119 HydrophobicContact CD1-CG2 4.13Å; I101-V119 HydrophobicContact CG1-CG2 4.44Å
102	Q	73.8	Confident	70.3	Confident	120 Å²	120	87 Å²	87	56%	0.561	46%	0.455	S	S	*	.			trans	-94.4	151.8	178.9	-60.8	-69.2	-1.4	0	0	110.6	W104	Q102-W104 PolarHBondContact O-N 3.28Å
103	A	66.5	Low	68.9	Low	55 Å²	55	89.7 Å²	89.7	46%	0.455	47%	0.467	S	S	.	.	S	Bend	trans	55.5	41.8	172	0	0	0	0	0	115.2	C105 C112 Q113	A103-C105 PolarHBondContact O-N 3.11Å; A103-C105 PolarHBondContact O-SG 2.79Å; A103-C112 HydrophobicContact CB-CB 4.33Å; A103-C112 VanDerWaalsContact O-CB 3.24Å; A103-C112 WeakPolarHBondContact O-CB 3.28Å; A103-Q113 WeakPolarHBondContact CA-O 3.46Å
104	W	78.5	Confident	67.5	Low	2 Å²	2	92.3 Å²	92.3	1%	0.008	49%	0.487	C	S	.	.			trans	-78.4	103.4	-175.9	-158	-20.6	0	0	0	112.4	A42 F44 R47 Q48 M50 I101 Q102 L117 V119	A42-W104 HydrophobicContact CB-CH2 4.05Å; F44-W104 HydrophobicContact CB-CH2 3.64Å; F44-W104 HydrophobicContact CB-CZ2 3.69Å; F44-W104 HydrophobicContact CB-CZ3 4.07Å; R47-W104 HydrophobicContact CB-CG 4.44Å; R47-W104 PolarHBondContact NH1-O 3Å; Q48-W104 PolarHBondContact O-NE1 3.32Å; M50-W104 HydrophobicContact CB-CZ2 4.37Å; M50-W104 HydrophobicContact CG-CD2 4.15Å; M50-W104 VanDerWaalsContact CG-CE2 3.46Å; M50-W104 HydrophobicContact CG-CH2 4.43Å; M50-W104 HydrophobicContact CG-CZ2 3.63Å; I101-W104 HydrophobicContact CB-CE3 3.89Å; I101-W104 HydrophobicContact CB-CZ3 4.19Å; I101-W104 HydrophobicContact CD1-CE3 4.27Å; I101-W104 HydrophobicContact CD1-CH2 4.14Å; I101-W104 HydrophobicContact CD1-CZ3 3.84Å; I101-W104 HydrophobicContact CG1-CZ3 4.35Å; I101-W104 HydrophobicContact CG2-CD2 4.32Å; I101-W104 HydrophobicContact CG2-CE3 4.03Å; Q102-W104 PolarHBondContact O-N 3.28Å; W104-L117 HydrophobicContact CB-CD1 3.78Å; W104-L117 HydrophobicContact CD2-CD1 4.44Å; W104-L117 HydrophobicContact CE3-CB 3.95Å; W104-L117 HydrophobicContact CE3-CD1 4.14Å; W104-L117 HydrophobicContact CG-CD1 4.35Å; W104-V119 HydrophobicContact CH2-CG1 4.04Å; W104-V119 HydrophobicContact CH2-CG2 4.07Å; W104-V119 HydrophobicContact CZ3-CB 4.36Å; W104-V119 HydrophobicContact CZ3-CG1 3.65Å; W104-V119 HydrophobicContact CZ3-CG2 3.76Å
105	C	67.9	Low	66.4	Low	30 Å²	30	97.5 Å²	97.5	20%	0.203	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-67.5	147.5	-173	-41.6	0	0	0	0	114.2	A103 C112	A103-C105 PolarHBondContact O-N 3.11Å; A103-C105 PolarHBondContact O-SG 2.79Å; C105-C112 HydrophobicContact CB-CB 3.82Å; C105-C112 WeakPolarHBondContact CB-SG 3.33Å; C105-C112 WeakPolarHBondContact SG-CB 3.49Å; C105-C112 CovalentContact SG-SG 2.04Å; C105-C112 PolarHBondContact SG-SG 3.18Å
106	K	59.8	Low	66	Low	113 Å²	113	100.6 Å²	100.6	49%	0.491	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-100.5	165.4	161.4	-74.5	-172.9	173.9	-173	0	109.3	R47	R47-K106 HydrophobicContact CG-CG 4.12Å
107	K	53.2	Low	66.2	Low	162 Å²	162	93.9 Å²	93.9	70%	0.704	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	139.1	-179.1	-160.3	176.6	177.4	-174.7	0	112.9	L109	K107-L109 VanDerWaalsContact C-N 3.28Å; K107-L109 PolarHBondContact O-N 3.13Å
108	G	54.2	Low	66.8	Low	84 Å²	84	89.7 Å²	89.7	87%	0.866	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	0.4	159.7	0	0	0	0	0	116.9
109	L	52.7	Low	67	Low	121 Å²	121	86.6 Å²	86.6	63%	0.634	47%	0.465	S	S	*	.			trans	-112.5	120.5	176.7	-80.6	147.7	0	0	0	110.2	K107 H111	K107-L109 VanDerWaalsContact C-N 3.28Å; K107-L109 PolarHBondContact O-N 3.13Å; L109-H111 PolarHBondContact O-N 2.9Å
110	D	53.8	Low	67.1	Low	179 Å²	179	88.5 Å²	88.5	96%	0.957	47%	0.474	S	S	*	.	S	Bend	trans	-66.3	0.3	172.3	-71.8	-25.6	0	0	0	113.2
111	H	49.9	Very low	67.5	Low	146 Å²	146	84.7 Å²	84.7	68%	0.676	45%	0.451	S	S	*	.	S	Bend	trans	-116.3	97.2	177.6	-154	79.5	0	0	0	111.1	L109	L109-H111 PolarHBondContact O-N 2.9Å
112	C	61	Low	67.9	Low	37 Å²	37	87.3 Å²	87.3	25%	0.25	46%	0.461	C	S	.	.			trans	-74.2	137.8	176.4	-48.3	0	0	0	0	110.5	A103 C105 T114	A103-C112 HydrophobicContact CB-CB 4.33Å; A103-C112 VanDerWaalsContact O-CB 3.24Å; A103-C112 WeakPolarHBondContact O-CB 3.28Å; C105-C112 HydrophobicContact CB-CB 3.82Å; C105-C112 WeakPolarHBondContact CB-SG 3.33Å; C105-C112 WeakPolarHBondContact SG-CB 3.49Å; C105-C112 CovalentContact SG-SG 2.04Å; C105-C112 PolarHBondContact SG-SG 3.18Å; C112-T114 PolarHBondContact O-N 3.22Å
113	Q	54.5	Low	68.7	Low	96 Å²	96	85 Å²	85	45%	0.449	45%	0.447	S	S	.	.			trans	-59.8	126.5	-177.4	-77.4	-179.2	-45.9	0	0	111.2	A103 R115	A103-Q113 WeakPolarHBondContact CA-O 3.46Å; Q113-R115 VanDerWaalsContact C-N 3.26Å; Q113-R115 PolarHBondContact O-N 2.78Å
114	T	55	Low	69.9	Low	112 Å²	112	82.5 Å²	82.5	69%	0.687	43%	0.426	S	S	*	.			trans	-75.9	-8.7	-177	50.9	0	0	0	0	114.2	C112	C112-T114 PolarHBondContact O-N 3.22Å
115	R	61	Low	70.3	Confident	205 Å²	205	83.9 Å²	83.9	77%	0.774	44%	0.435	S	S	*	.	S	Bend	trans	-73.2	128.7	175.6	-64.6	-171	-176.6	-170.5	2.9	109.8	Q113	Q113-R115 VanDerWaalsContact C-N 3.26Å; Q113-R115 PolarHBondContact O-N 2.78Å
116	P	69.9	Low	71.1	Confident	73 Å²	73	87.4 Å²	87.4	47%	0.474	45%	0.448	S	S	.	.			trans	-61.4	144.4	172.9	21.8	-30.9	0	0	0	111.7	T100	T100-P116 HydrophobicContact CG2-CB 3.45Å; T100-P116 VanDerWaalsContact CG2-CB 3.45Å
117	L	76.6	Confident	71.4	Confident	33 Å²	33	83.8 Å²	83.8	17%	0.173	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.8	172.7	-78.7	151.1	0	0	0	109.9	F44 R47 T100 I101 W104	F44-L117 HydrophobicContact CD2-CD2 4.47Å; F44-L117 HydrophobicContact CE2-CD2 3.97Å; F44-L117 HydrophobicContact CZ-CD2 4.23Å; R47-L117 VanDerWaalsContact CZ-CD1 3.5Å; T100-L117 CarbonylContact C-O 3.54Å; T100-L117 WeakPolarHBondContact CA-O 3.45Å; I101-L117 PolarHBondContact N-O 2.89Å; I101-L117 PolarHBondContact O-N 3.21Å; W104-L117 HydrophobicContact CB-CD1 3.78Å; W104-L117 HydrophobicContact CD2-CD1 4.44Å; W104-L117 HydrophobicContact CE3-CB 3.95Å; W104-L117 HydrophobicContact CE3-CD1 4.14Å; W104-L117 HydrophobicContact CG-CD1 4.35Å
118	I	82.3	Confident	71.7	Confident	117 Å²	117	84.7 Å²	84.7	60%	0.6	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	127.8	179.7	-55.9	179	0	0	0	108	P98 V99 T100	P98-I118 HydrophobicContact CB-CG2 3.65Å; P98-I118 HydrophobicContact CG-CG2 4.46Å; V99-I118 WeakPolarHBondContact O-CA 3.4Å; T100-I118 HydrophobicContact CG2-CG1 4.27Å
119	V	86.8	Confident	71.6	Confident	17 Å²	17	84.7 Å²	84.7	10%	0.103	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	156.6	-179	-68.3	0	0	0	0	111.1	A42 F44 P98 V99 I101 W104 P121	A42-V119 HydrophobicContact CB-CG2 4.07Å; F44-V119 HydrophobicContact CD2-CG1 3.99Å; P98-V119 CarbonylContact C-O 3.24Å; P98-V119 WeakPolarHBondContact CA-O 3.49Å; V99-V119 HydrophobicContact CG2-CG2 4.03Å; V99-V119 PolarHBondContact N-O 2.94Å; V99-V119 PolarHBondContact O-N 3.33Å; I101-V119 HydrophobicContact CD1-CG2 4.13Å; I101-V119 HydrophobicContact CG1-CG2 4.44Å; W104-V119 HydrophobicContact CH2-CG1 4.04Å; W104-V119 HydrophobicContact CH2-CG2 4.07Å; W104-V119 HydrophobicContact CZ3-CB 4.36Å; W104-V119 HydrophobicContact CZ3-CG1 3.65Å; W104-V119 HydrophobicContact CZ3-CG2 3.76Å; V119-P121 WeakPolarHBondContact O-CD 3.49Å
120	L	86.8	Confident	71.6	Confident	74 Å²	74	84.3 Å²	84.3	39%	0.387	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-85.7	122.6	161.6	-91.3	68	0	0	0	108.9	E94 S95 P98	E94-L120 HydrophobicContact CG-CB 4.2Å; E94-L120 HydrophobicContact CG-CD2 4.09Å; E94-L120 WeakPolarHBondContact OE1-CB 3.26Å; E94-L120 WeakPolarHBondContact OE1-CD2 3.24Å; S95-L120 WeakPolarHBondContact O-CD2 3.29Å; S95-L120 WeakPolarHBondContact O-CG 3.42Å; P98-L120 HydrophobicContact CB-CD1 3.94Å
121	P	91.1	Very high	71.8	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-87.1	150.8	173.4	31.5	-31.1	0	0	0	111.6	Q40 I41 A42 W59 S95 V99 V119	Q40-P121 HydrophobicContact CB-CB 4.49Å; I41-P121 CarbonylContact O-C 3.53Å; I41-P121 VanDerWaalsContact O-CA 3.24Å; I41-P121 WeakPolarHBondContact O-CA 3.28Å; I41-P121 VanDerWaalsContact O-CB 3.31Å; I41-P121 WeakPolarHBondContact O-CB 3.26Å; A42-P121 HydrophobicContact CB-CB 4.27Å; W59-P121 HydrophobicContact CH2-CB 3.67Å; W59-P121 HydrophobicContact CH2-CG 4.37Å; W59-P121 HydrophobicContact CZ2-CB 4.07Å; W59-P121 HydrophobicContact CZ2-CG 4.31Å; S95-P121 WeakPolarHBondContact CB-O 3.23Å; S95-P121 PolarHBondContact N-O 3.45Å; S95-P121 PolarHBondContact OG-O 2.86Å; V99-P121 HydrophobicContact CB-CG 4.49Å; V99-P121 HydrophobicContact CG1-CG 3.82Å; V99-P121 HydrophobicContact CG2-CB 4.4Å; V99-P121 HydrophobicContact CG2-CG 3.86Å; V119-P121 WeakPolarHBondContact O-CD 3.49Å
122	Y	90.7	Very high	72.2	Confident	58 Å²	58	77.6 Å²	77.6	23%	0.227	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	129.2	170.7	-71.2	-97.8	0	0	0	109.9	Q40 I41 M43 I76 I92 E94	Q40-Y122 CarbonylContact C-O 3.58Å; Q40-Y122 VanDerWaalsContact CA-O 3.24Å; Q40-Y122 WeakPolarHBondContact CA-O 3.41Å; I41-Y122 PolarHBondContact N-O 2.87Å; I41-Y122 PolarHBondContact O-N 2.63Å; M43-Y122 HydrophobicContact CE-CD2 4.07Å; M43-Y122 HydrophobicContact CE-CE2 3.74Å; I76-Y122 HydrophobicContact CD1-CD1 4.39Å; I76-Y122 HydrophobicContact CD1-CE1 4.01Å; I76-Y122 HydrophobicContact CD1-CE2 4.38Å; I76-Y122 HydrophobicContact CG2-CD1 4.05Å; I76-Y122 HydrophobicContact CG2-CD2 4.43Å; I76-Y122 HydrophobicContact CG2-CG 3.91Å; I92-Y122 HydrophobicContact CD1-CD1 4.44Å; E94-Y122 HydrophobicContact CB-CD1 4.3Å; E94-Y122 HydrophobicContact CB-CE1 4.08Å; E94-Y122 HydrophobicContact CG-CE1 4.21Å
123	R	91.4	Very high	72.2	Confident	71 Å²	71	80.8 Å²	80.8	27%	0.268	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	129	171.6	-52.3	175.9	72.8	-134.4	3.9	108.5	E38 Q40 I92 E93 S95 V125	E38-R123 IonicContact OE1-CZ 2.91Å; E38-R123 IonicContact OE1-NH2 3.95Å; E38-R123 PolarHBondContact OE1-NH2 3.43Å; E38-R123 IonicContact OE2-CZ 3.49Å; E38-R123 VanDerWaalsContact OE2-CZ 3.3Å; E38-R123 IonicContact OE2-NE 3.99Å; E38-R123 PolarHBondContact OE2-NE 3.27Å; E38-R123 IonicContact OE2-NH2 2.66Å; E38-R123 PolarHBondContact OE2-NH2 2.95Å; Q40-R123 HydrophobicContact CG-CG 4.2Å; I92-R123 VanDerWaalsContact CA-O 3.27Å; I92-R123 WeakPolarHBondContact CA-O 3.33Å; E93-R123 HydrophobicContact CB-CB 4.43Å; E93-R123 PolarHBondContact N-O 3.43Å; E93-R123 PolarHBondContact O-N 3.23Å; E93-R123 IonicContact OE2-CZ 2.71Å; E93-R123 IonicContact OE2-NH1 2.8Å; E93-R123 PolarHBondContact OE2-NH1 3.05Å; S95-R123 VanDerWaalsContact OG-CG 3.24Å; S95-R123 WeakPolarHBondContact OG-CG 3.32Å; R123-V125 HydrophobicContact CB-CG2 4.27Å
124	C	90.8	Very high	73.3	Confident	3 Å²	3	77.9 Å²	77.9	2%	0.02	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	106	173.1	-51.9	0	0	0	0	107.8	P39 C80 Y84 I89	P39-C124 HydrophobicContact CB-CB 4.08Å; P39-C124 HydrophobicContact CG-CB 4.45Å; P39-C124 VanDerWaalsContact CG-O 3.25Å; P39-C124 WeakPolarHBondContact CG-O 3.29Å; P39-C124 PolarHBondContact O-N 3.47Å; C80-C124 HydrophobicContact CB-CB 3.63Å; C80-C124 WeakPolarHBondContact CB-SG 3.46Å; C80-C124 VanDerWaalsContact SG-CA 3.59Å; C80-C124 WeakPolarHBondContact SG-CB 3.43Å; C80-C124 CovalentContact SG-SG 2.03Å; C80-C124 PolarHBondContact SG-SG 2.95Å; Y84-C124 HydrophobicContact CD2-CB 4.07Å; Y84-C124 HydrophobicContact CE2-CB 4.4Å; I89-C124 HydrophobicContact CD1-CB 3.83Å; I89-C124 HydrophobicContact CG1-CB 4.1Å; I89-C124 HydrophobicContact CG2-CB 3.84Å
125	V	87.8	Confident	74.4	Confident	31 Å²	31	79.7 Å²	79.7	19%	0.188	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	129.8	-166.5	-168.2	0	0	0	0	112.2	I89 S90 H91 E93 R123	I89-V125 WeakPolarHBondContact CA-O 3.49Å; S90-V125 PolarHBondContact N-O 2.94Å; H91-V125 WeakPolarHBondContact CE1-CG1 3.36Å; H91-V125 WeakPolarHBondContact NE2-CB 3.36Å; H91-V125 WeakPolarHBondContact NE2-CG1 3.4Å; H91-V125 PolarHBondContact O-N 3.41Å; E93-V125 HydrophobicContact CB-CG2 4.09Å; R123-V125 HydrophobicContact CB-CG2 4.27Å
126	E	84.5	Confident	75.5	Confident	103 Å²	103	73.3 Å²	73.3	48%	0.481	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	139.1	176.2	-67.1	-178.7	-118.1	0	0	112.5	L87 P88 I89	L87-E126 HydrophobicContact CB-CG 4.03Å; L87-E126 HydrophobicContact CD1-CG 4.43Å; P88-E126 WeakPolarHBondContact CD-OE2 3.23Å; P88-E126 HydrophobicContact CG-CB 4.39Å; P88-E126 HydrophobicContact CG-CG 4.43Å; I89-E126 HydrophobicContact CD1-CG 3.94Å
127	G	66.6	Low	75.9	Confident	38 Å²	38	72.2 Å²	72.2	39%	0.392	38%	0.384	S	S	.	.	S	Bend	trans	127.9	-173.1	167.3	0	0	0	0	0	114.7	P88 S90	P88-G127 PolarHBondContact O-N 3.17Å; S90-G127 WeakPolarHBondContact CB-O 3.31Å; S90-G127 PolarHBondContact OG-O 3.44Å
128	E	58.1	Low	75.6	Confident	181 Å²	181	78.4 Å²	78.4	85%	0.846	42%	0.417	S	S	*	.	S	Bend	trans	-74.1	147.5	166.8	-65.3	-177.5	146.6	0	0	109.4	V130	E128-V130 PolarHBondContact O-N 3.24Å; E128-V130 VanDerWaalsContact O-N 3.14Å
129	Y	52.7	Low	75.6	Confident	84 Å²	84	83.7 Å²	83.7	33%	0.329	43%	0.429	S	S	.	.			trans	-64.6	114.6	176.8	175.1	-92.2	0	0	0	109.8	H91 P180	H91-Y129 HydrophobicContact CB-CD2 4.48Å; Y129-P180 VanDerWaalsContact CD1-CD 3.49Å; Y129-P180 HydrophobicContact CD1-CG 4.23Å; Y129-P180 HydrophobicContact CD2-CG 4.1Å; Y129-P180 HydrophobicContact CG-CG 3.93Å
130	V	53.2	Low	75.8	Confident	113 Å²	113	84 Å²	84	69%	0.685	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-101.2	120.5	171.8	-177.1	0	0	0	0	107.1	E128	E128-V130 PolarHBondContact O-N 3.24Å; E128-V130 VanDerWaalsContact O-N 3.14Å
131	S	56.6	Low	75.9	Confident	19 Å²	19	86.8 Å²	86.8	13%	0.133	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-65.4	153.2	174.9	48.6	0	0	0	0	111.3	S133 E189	S131-S133 PolarHBondContact O-N 3.19Å; S131-E189 WeakPolarHBondContact CB-OE1 3.27Å; S131-E189 VanDerWaalsContact OG-CD 3.27Å; S131-E189 PolarHBondContact OG-OE1 2.78Å
132	E	58.7	Low	75.9	Confident	164 Å²	164	91.1 Å²	91.1	77%	0.766	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-63.9	119.8	178.2	-65.6	-159.7	132.3	0	0	110.6	L134	E132-L134 PolarHBondContact O-N 3.38Å
133	S	62.1	Low	75.9	Confident	104 Å²	104	91.2 Å²	91.2	73%	0.727	46%	0.46	S	S	*	.			trans	-65.4	101.6	-169.2	-57.7	0	0	0	0	112.5	S131 L135	S131-S133 PolarHBondContact O-N 3.19Å; S133-L135 PolarHBondContact O-N 2.91Å
134	L	77.8	Confident	75.9	Confident	35 Å²	35	93.5 Å²	93.5	18%	0.183	47%	0.474	C	S	.	.			trans	-60.3	126.2	-179.8	-58.3	-176.3	0	0	0	111.8	E132 F142 E189 V191	E132-L134 PolarHBondContact O-N 3.38Å; L134-F142 HydrophobicContact CB-CD2 4.48Å; L134-F142 HydrophobicContact CB-CE2 4.27Å; L134-F142 HydrophobicContact CD1-CE2 4.2Å; L134-E189 HydrophobicContact CD1-CB 4.47Å; L134-E189 HydrophobicContact CD1-CG 4.04Å; L134-E189 WeakPolarHBondContact CD1-O 3.08Å; L134-E189 HydrophobicContact CG-CG 4.48Å; L134-V191 HydrophobicContact CB-CG2 4.15Å; L134-V191 HydrophobicContact CD1-CG2 4.24Å
135	L	77.4	Confident	75.7	Confident	150 Å²	150	95.7 Å²	95.7	79%	0.785	48%	0.484	S	S	*	.			trans	-74.6	130.5	170.1	-62.6	178.9	0	0	0	109.8	S133	S133-L135 PolarHBondContact O-N 2.91Å
136	V	84.8	Confident	75.5	Confident	71 Å²	71	98.8 Å²	98.8	43%	0.43	50%	0.496	S	S	.	.			trans	-108.5	109.1	-177.2	-168.2	0	0	0	0	109.2	C140 F142 V191	V136-C140 HydrophobicContact CG1-CB 4.35Å; V136-F142 HydrophobicContact CG1-CB 4.23Å; V136-F142 HydrophobicContact CG2-CB 3.77Å; V136-F142 HydrophobicContact CG2-CD2 4.03Å; V136-F142 HydrophobicContact CG2-CG 4.25Å; V136-V191 HydrophobicContact CG1-CG1 4.23Å; V136-V191 HydrophobicContact CG2-CG2 4.11Å
137	P	78.1	Confident	75.4	Confident	51 Å²	51	97.6 Å²	97.6	33%	0.331	49%	0.491	S	S	.	.			trans	-71.2	160.4	178.8	-17	30.6	0	0	0	113.2	R139 C140	P137-R139 PolarHBondContact O-N 3.47Å; P137-C140 WeakPolarHBondContact O-CB 3.47Å; P137-C140 PolarHBondContact O-N 3.16Å
138	D	69.6	Low	76	Confident	163 Å²	163	99.9 Å²	99.9	87%	0.872	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	133.4	174.1	-85	-32.9	0	0	0	111.4	C140	D138-C140 PolarHBondContact O-N 3.29Å
139	R	82.9	Confident	77.2	Confident	227 Å²	227	98.1 Å²	98.1	86%	0.857	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	-5	-175.3	-45.4	178.6	-175.7	-169.2	1	116.4	P137 P194	P137-R139 PolarHBondContact O-N 3.47Å; R139-P194 HydrophobicContact CB-CG 4.3Å; R139-P194 WeakPolarHBondContact O-CD 3.44Å
140	C	89.8	Confident	78.7	Confident	23 Å²	23	96.4 Å²	96.4	16%	0.155	49%	0.485	C	S	.	.			trans	-82.6	160.4	171.6	-52	0	0	0	0	111.5	V136 P137 D138 V191 C192 C193	V136-C140 HydrophobicContact CG1-CB 4.35Å; P137-C140 WeakPolarHBondContact O-CB 3.47Å; P137-C140 PolarHBondContact O-N 3.16Å; D138-C140 PolarHBondContact O-N 3.29Å; C140-V191 HydrophobicContact CB-CG1 3.66Å; C140-C192 CarbonylContact C-O 3.55Å; C140-C192 WeakPolarHBondContact CA-O 3.27Å; C140-C192 WeakPolarHBondContact CB-O 3.32Å; C140-C193 HydrophobicContact CB-CB 4.03Å; C140-C193 WeakPolarHBondContact CB-SG 3.48Å; C140-C193 VanDerWaalsContact SG-CA 3.55Å; C140-C193 WeakPolarHBondContact SG-CB 3.46Å; C140-C193 CovalentContact SG-SG 2.03Å; C140-C193 PolarHBondContact SG-SG 2.98Å
141	R	90.3	Very high	80.3	Confident	133 Å²	133	93.2 Å²	93.2	50%	0.502	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.2	177.3	-63.9	-178.6	176.1	-164	1.7	109.3	L143 E168 V191 C192	R141-L143 HydrophobicContact CB-CD1 3.88Å; R141-E168 WeakPolarHBondContact CD-OE2 3.4Å; R141-E168 IonicContact CZ-OE1 3.36Å; R141-E168 IonicContact CZ-OE2 3.78Å; R141-E168 IonicContact NE-OE2 3.75Å; R141-E168 IonicContact NH1-OE1 2.8Å; R141-E168 PolarHBondContact NH1-OE1 3.49Å; R141-E168 IonicContact NH1-OE2 2.69Å; R141-E168 PolarHBondContact NH1-OE2 2.97Å; R141-V191 CarbonylContact O-C 3.59Å; R141-V191 VanDerWaalsContact O-CA 3.28Å; R141-V191 WeakPolarHBondContact O-CA 3.48Å; R141-C192 PolarHBondContact N-O 2.91Å; R141-C192 PolarHBondContact O-N 3.35Å
142	F	91.1	Very high	81.9	Confident	91 Å²	91	95.9 Å²	95.9	40%	0.399	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	130.2	166.5	176	-85.9	0	0	0	109.1	L134 V136 E189 Y190 V191	L134-F142 HydrophobicContact CB-CD2 4.48Å; L134-F142 HydrophobicContact CB-CE2 4.27Å; L134-F142 HydrophobicContact CD1-CE2 4.2Å; V136-F142 HydrophobicContact CG1-CB 4.23Å; V136-F142 HydrophobicContact CG2-CB 3.77Å; V136-F142 HydrophobicContact CG2-CD2 4.03Å; V136-F142 HydrophobicContact CG2-CG 4.25Å; F142-E189 HydrophobicContact CE2-CB 3.98Å; F142-E189 HydrophobicContact CE2-CG 4.42Å; F142-E189 HydrophobicContact CZ-CB 3.74Å; F142-E189 HydrophobicContact CZ-CG 4.4Å; F142-E189 WeakPolarHBondContact CZ-OE2 3.44Å; F142-Y190 WeakPolarHBondContact CA-O 3.29Å; F142-V191 HydrophobicContact CD2-CG2 4.06Å
143	L	90.8	Very high	82.6	Confident	60 Å²	60	90.1 Å²	90.1	31%	0.314	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	162.2	-177.6	-70.7	125.2	0	0	0	108.9	R141 E189 Y190 C192	R141-L143 HydrophobicContact CB-CD1 3.88Å; L143-E189 WeakPolarHBondContact O-CA 3.08Å; L143-Y190 HydrophobicContact CB-CD2 3.93Å; L143-Y190 HydrophobicContact CB-CE1 4.34Å; L143-Y190 HydrophobicContact CB-CE2 3.51Å; L143-Y190 HydrophobicContact CB-CG 4.49Å; L143-Y190 HydrophobicContact CD1-CD2 4.47Å; L143-Y190 HydrophobicContact CD1-CE2 4.07Å; L143-Y190 HydrophobicContact CG-CE2 4.31Å; L143-Y190 PolarHBondContact N-O 2.82Å; L143-Y190 PolarHBondContact O-N 2.94Å; L143-C192 HydrophobicContact CD1-CB 4.16Å; L143-C192 VanDerWaalsContact CD1-SG 3.53Å
144	H	89.9	Confident	83.3	Confident	120 Å²	120	90.6 Å²	90.6	56%	0.556	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.4	156.6	169.9	68.7	166.6	0	0	0	111.6	L178 V188 E189	H144-L178 HydrophobicContact CB-CD1 3.99Å; H144-V188 CarbonylContact C-O 3.58Å; H144-V188 WeakPolarHBondContact CA-O 3.36Å; H144-V188 WeakPolarHBondContact CB-O 3.42Å; H144-E189 HydrophobicContact CB-CB 3.9Å
145	Q	86.8	Confident	82.8	Confident	48 Å²	48	93.3 Å²	93.3	22%	0.224	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	121.4	-179	-162.7	163	15.9	0	0	108.8	E164 G187 V188 Y190	Q145-E164 PolarHBondContact NE2-OE1 3.38Å; Q145-G187 CarbonylContact O-C 3.04Å; Q145-G187 WeakPolarHBondContact O-CA 3.35Å; Q145-V188 PolarHBondContact N-O 2.04Å; Q145-V188 PolarHBondContact O-N 3.07Å; Q145-Y190 HydrophobicContact CB-CE1 4.32Å
146	E	85.1	Confident	83.2	Confident	97 Å²	97	89.6 Å²	89.6	45%	0.453	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.9	-174.8	-174	-158.8	118.8	0	0	109.1	M148 L179	E146-M148 WeakPolarHBondContact OE1-CG 3.48Å; E146-L179 HydrophobicContact CG-CD1 3.97Å
147	Q	82	Confident	83.2	Confident	78 Å²	78	86.2 Å²	86.2	36%	0.364	42%	0.415	S	S	.	.			trans	-133.9	90.7	177.8	-64.6	-165.3	71.3	0	0	110.4	N149 I150 W157 R186	Q147-N149 PolarHBondContact O-N 2.84Å; Q147-I150 HydrophobicContact CB-CB 3.99Å; Q147-I150 HydrophobicContact CB-CD1 4.29Å; Q147-I150 HydrophobicContact CB-CG1 4.19Å; Q147-I150 PolarHBondContact O-N 3.28Å; Q147-I150 VanDerWaalsContact O-O 3.07Å; Q147-W157 HydrophobicContact CB-CH2 4.15Å; Q147-W157 HydrophobicContact CG-CH2 4.23Å; Q147-R186 PolarHBondContact N-O 2.85Å
148	M	79.2	Confident	83.1	Confident	86 Å²	86	85.9 Å²	85.9	42%	0.424	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-18.2	-176.6	-73.7	-68.8	-91.5	0	0	116.2	E146 L179 R186	E146-M148 WeakPolarHBondContact OE1-CG 3.48Å; M148-L179 HydrophobicContact SD-CD1 3.8Å; M148-R186 PolarHBondContact O-NH1 3.02Å; M148-R186 VanDerWaalsContact O-NH1 3.11Å
149	N	83	Confident	83.7	Confident	143 Å²	143	81.4 Å²	81.4	77%	0.765	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-8.5	177.5	-62.7	-27.2	0	0	0	113.6	Q147	Q147-N149 PolarHBondContact O-N 2.84Å
150	I	84	Confident	84.2	Confident	49 Å²	49	72.1 Å²	72.1	25%	0.251	35%	0.352	S	S	.	.			trans	-110.3	148.4	179.6	-62.5	-171.8	0	0	0	108.2	Q147 E152 W157 R186	Q147-I150 HydrophobicContact CB-CB 3.99Å; Q147-I150 HydrophobicContact CB-CD1 4.29Å; Q147-I150 HydrophobicContact CB-CG1 4.19Å; Q147-I150 PolarHBondContact O-N 3.28Å; Q147-I150 VanDerWaalsContact O-O 3.07Å; I150-E152 HydrophobicContact CG2-CB 4.15Å; I150-E152 HydrophobicContact CG2-CG 3.33Å; I150-W157 HydrophobicContact CG2-CZ2 4.2Å; I150-R186 WeakPolarHBondContact O-CG 3.43Å; I150-R186 PolarHBondContact O-NH1 3.22Å
151	C	87.2	Confident	84.1	Confident	46 Å²	46	71 Å²	71	31%	0.311	34%	0.344	S	S	.	.			trans	-147.5	102.4	178.5	-179.3	0	0	0	0	106.1	C181 H184 F185	C151-C181 VanDerWaalsContact CA-SG 3.51Å; C151-C181 HydrophobicContact CB-CB 4.14Å; C151-C181 WeakPolarHBondContact CB-SG 3.19Å; C151-C181 WeakPolarHBondContact SG-CB 3.49Å; C151-C181 CovalentContact SG-SG 2.04Å; C151-C181 PolarHBondContact SG-SG 3.4Å; C151-H184 VanDerWaalsContact SG-CB 3.51Å; C151-F185 WeakPolarHBondContact CA-O 3.12Å
152	E	89.6	Confident	83.9	Confident	75 Å²	75	69.8 Å²	69.8	35%	0.35	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-133.6	160.5	-162.5	-80.3	-72.2	179	0	0	111.7	I150 Y156 H184 F185	I150-E152 HydrophobicContact CG2-CB 4.15Å; I150-E152 HydrophobicContact CG2-CG 3.33Å; E152-Y156 HydrophobicContact CB-CD1 3.37Å; E152-Y156 HydrophobicContact CB-CE1 3.89Å; E152-Y156 HydrophobicContact CB-CG 3.74Å; E152-Y156 HydrophobicContact CG-CD1 3.82Å; E152-Y156 HydrophobicContact CG-CD2 4.35Å; E152-Y156 HydrophobicContact CG-CE1 3.91Å; E152-Y156 HydrophobicContact CG-CE2 4.43Å; E152-Y156 HydrophobicContact CG-CG 4.05Å; E152-H184 WeakPolarHBondContact O-CA 3.34Å; E152-H184 WeakPolarHBondContact O-CB 3.34Å; E152-F185 PolarHBondContact N-O 3.48Å; E152-F185 PolarHBondContact O-N 3.27Å
153	S	73	Confident	84.1	Confident	42 Å²	42	71.3 Å²	71.3	29%	0.294	35%	0.351	S	S	.	.			trans	-63.1	159.6	-175.3	69.3	0	0	0	0	113.6	V155 Y156 W157	S153-V155 PolarHBondContact O-N 3.2Å; S153-Y156 WeakPolarHBondContact O-CB 3.48Å; S153-Y156 PolarHBondContact O-N 3.45Å; S153-Y156 PolarHBondContact OG-N 2.93Å; S153-W157 PolarHBondContact O-N 2.88Å
154	Y	76.7	Confident	84.2	Confident	115 Å²	115	72.6 Å²	72.6	45%	0.451	36%	0.355	S	S	.	.	H	α-helix	trans	-52.1	-42	171.6	-174.7	-82.6	0	0	0	112.3	W157 H158 Y175 M177 F185	Y154-W157 PolarHBondContact O-N 3.02Å; Y154-H158 PolarHBondContact O-N 2.84Å; Y154-Y175 AromaticContact CE1-CE2 3.88Å; Y154-Y175 HydrophobicContact CE1-CE2 3.88Å; Y154-Y175 WeakPolarHBondContact CE1-OH 3.48Å; Y154-Y175 AromaticContact CZ-CE2 3.7Å; Y154-Y175 WeakPolarHBondContact OH-CE2 3.24Å; Y154-Y175 PolarHBondContact OH-OH 3.12Å; Y154-M177 HydrophobicContact CD1-CE 4.08Å; Y154-M177 HydrophobicContact CD2-CE 3.59Å; Y154-M177 HydrophobicContact CD2-CG 3.68Å; Y154-M177 HydrophobicContact CD2-SD 4.34Å; Y154-M177 HydrophobicContact CE1-CE 4.21Å; Y154-M177 HydrophobicContact CE2-CE 3.74Å; Y154-M177 HydrophobicContact CE2-CG 3.87Å; Y154-M177 HydrophobicContact CG-CE 3.77Å; Y154-M177 WeakPolarHBondContact O-CE 3.32Å; Y154-F185 HydrophobicContact CD2-CE2 4.1Å
155	V	67.7	Low	84.3	Confident	91 Å²	91	66.9 Å²	66.9	55%	0.552	33%	0.329	S	S	*	.	H	α-helix	trans	-68.4	-40.1	-178	-178.2	0	0	0	0	111.8	S153 W157 H158 N159	S153-V155 PolarHBondContact O-N 3.2Å; V155-W157 PolarHBondContact O-N 3.33Å; V155-H158 PolarHBondContact O-N 2.84Å; V155-N159 VanDerWaalsContact O-CG 3.29Å; V155-N159 PolarHBondContact O-N 3.38Å; V155-N159 PolarHBondContact O-ND2 3.35Å
156	Y	85	Confident	84.4	Confident	73 Å²	73	68.5 Å²	68.5	29%	0.286	34%	0.342	S	S	.	.	H	α-helix	trans	-56	-51.6	173.6	172.2	-89	0	0	0	110.8	E152 S153 H158 N159 I160	E152-Y156 HydrophobicContact CB-CD1 3.37Å; E152-Y156 HydrophobicContact CB-CE1 3.89Å; E152-Y156 HydrophobicContact CB-CG 3.74Å; E152-Y156 HydrophobicContact CG-CD1 3.82Å; E152-Y156 HydrophobicContact CG-CD2 4.35Å; E152-Y156 HydrophobicContact CG-CE1 3.91Å; E152-Y156 HydrophobicContact CG-CE2 4.43Å; E152-Y156 HydrophobicContact CG-CG 4.05Å; S153-Y156 WeakPolarHBondContact O-CB 3.48Å; S153-Y156 PolarHBondContact O-N 3.45Å; S153-Y156 PolarHBondContact OG-N 2.93Å; Y156-H158 PolarHBondContact O-N 3Å; Y156-N159 PolarHBondContact O-N 3.07Å; Y156-I160 HydrophobicContact CD1-CG1 4.2Å; Y156-I160 HydrophobicContact CE1-CG1 3.84Å; Y156-I160 WeakPolarHBondContact O-CG1 3.39Å; Y156-I160 PolarHBondContact O-N 3.42Å
157	W	86.6	Confident	84.7	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-69.8	-32.6	-177.5	-74.4	117.1	0	0	0	113.7	Q147 I150 S153 Y154 V155 I160 A161 M177 F185 R186 V188	Q147-W157 HydrophobicContact CB-CH2 4.15Å; Q147-W157 HydrophobicContact CG-CH2 4.23Å; I150-W157 HydrophobicContact CG2-CZ2 4.2Å; S153-W157 PolarHBondContact O-N 2.88Å; Y154-W157 PolarHBondContact O-N 3.02Å; V155-W157 PolarHBondContact O-N 3.33Å; W157-I160 HydrophobicContact CE3-CB 4.37Å; W157-I160 HydrophobicContact CE3-CG2 4.28Å; W157-I160 HydrophobicContact CZ3-CG2 4.4Å; W157-A161 PolarHBondContact O-N 2.81Å; W157-M177 HydrophobicContact CB-CE 3.84Å; W157-M177 HydrophobicContact CB-SD 3.54Å; W157-M177 VanDerWaalsContact CB-SD 3.54Å; W157-M177 HydrophobicContact CG-SD 4.25Å; W157-F185 PolarHBondContact NE1-O 2.8Å; W157-R186 WeakPolarHBondContact CZ2-O 3.32Å; W157-V188 HydrophobicContact CB-CB 4.11Å; W157-V188 HydrophobicContact CB-CG1 4.35Å; W157-V188 HydrophobicContact CE3-CB 4.44Å; W157-V188 HydrophobicContact CE3-CG1 3.82Å
158	H	75.5	Confident	84.9	Confident	43 Å²	43	68 Å²	68	20%	0.199	35%	0.353	C	S	.	.	H	α-helix	trans	-60	-47.1	168.9	172.9	70.2	0	0	0	111.7	Y154 V155 Y156 I160 A161 K162 Y175	Y154-H158 PolarHBondContact O-N 2.84Å; V155-H158 PolarHBondContact O-N 2.84Å; Y156-H158 PolarHBondContact O-N 3Å; H158-I160 PolarHBondContact O-N 2.88Å; H158-A161 PolarHBondContact O-N 3Å; H158-K162 WeakPolarHBondContact O-CB 3.38Å; H158-K162 PolarHBondContact O-N 2.97Å; H158-Y175 HydrophobicContact CB-CE2 3.9Å; H158-Y175 AromaticContact CE1-CE1 3.73Å; H158-Y175 AromaticContact CE1-CZ 3.93Å; H158-Y175 AromaticContact CG-CZ 3.88Å; H158-Y175 AromaticContact ND1-CD1 3.83Å; H158-Y175 AromaticContact ND1-CE1 3.21Å; H158-Y175 WeakPolarHBondContact ND1-CE1 3.43Å; H158-Y175 AromaticContact ND1-CE2 3.58Å; H158-Y175 AromaticContact ND1-CZ 3.08Å; H158-Y175 PolarHBondContact ND1-OH 2.59Å
159	N	82.4	Confident	85.3	Confident	70 Å²	70	71 Å²	71	37%	0.374	37%	0.37	S	S	.	.	H	α-helix	trans	-63.1	-42.5	180	-70.5	-19.2	0	0	0	111.4	V155 Y156 A161 K162 E163	V155-N159 VanDerWaalsContact O-CG 3.29Å; V155-N159 PolarHBondContact O-N 3.38Å; V155-N159 PolarHBondContact O-ND2 3.35Å; Y156-N159 PolarHBondContact O-N 3.07Å; N159-A161 PolarHBondContact O-N 3.23Å; N159-K162 WeakPolarHBondContact O-CB 3.44Å; N159-K162 PolarHBondContact O-N 3.06Å; N159-K162 VanDerWaalsContact O-N 3.16Å; N159-E163 WeakPolarHBondContact O-CB 3.46Å; N159-E163 WeakPolarHBondContact O-CG 3.49Å; N159-E163 PolarHBondContact O-N 3.14Å
160	I	91.7	Very high	85.7	Confident	31 Å²	31	65.3 Å²	65.3	16%	0.159	34%	0.34	C	S	.	.	H	α-helix	trans	-57.4	-49	173.6	-68.6	-66.4	0	0	0	111.7	Y156 W157 H158 K162 E163 E164	Y156-I160 HydrophobicContact CD1-CG1 4.2Å; Y156-I160 HydrophobicContact CE1-CG1 3.84Å; Y156-I160 WeakPolarHBondContact O-CG1 3.39Å; Y156-I160 PolarHBondContact O-N 3.42Å; W157-I160 HydrophobicContact CE3-CB 4.37Å; W157-I160 HydrophobicContact CE3-CG2 4.28Å; W157-I160 HydrophobicContact CZ3-CG2 4.4Å; H158-I160 PolarHBondContact O-N 2.88Å; I160-K162 VanDerWaalsContact C-N 3.26Å; I160-K162 PolarHBondContact O-N 3.08Å; I160-E163 PolarHBondContact O-N 3.42Å; I160-E164 WeakPolarHBondContact O-CG 3.42Å; I160-E164 PolarHBondContact O-N 2.86Å
161	A	88.6	Confident	85.8	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-60.6	-35.3	176.8	0	0	0	0	0	112.9	W157 H158 N159 C165 L172 V188 Y190	W157-A161 PolarHBondContact O-N 2.81Å; H158-A161 PolarHBondContact O-N 3Å; N159-A161 PolarHBondContact O-N 3.23Å; A161-C165 PolarHBondContact O-N 2.88Å; A161-C165 PolarHBondContact O-SG 3.31Å; A161-L172 HydrophobicContact CB-CD1 4.1Å; A161-L172 HydrophobicContact CB-CD2 4.22Å; A161-V188 HydrophobicContact CB-CG1 4.19Å; A161-V188 HydrophobicContact CB-CG2 4.05Å; A161-Y190 HydrophobicContact CB-CD1 3.65Å; A161-Y190 HydrophobicContact CB-CD2 4.17Å; A161-Y190 HydrophobicContact CB-CE1 4.19Å; A161-Y190 HydrophobicContact CB-CG 3.64Å
162	K	87.1	Confident	85.8	Confident	108 Å²	108	67.9 Å²	67.9	47%	0.47	35%	0.347	S	S	.	.	H	α-helix	trans	-73.1	-40.7	178.1	-172.1	178.9	-179	177.4	0	112.4	H158 N159 I160 T166 L172	H158-K162 WeakPolarHBondContact O-CB 3.38Å; H158-K162 PolarHBondContact O-N 2.97Å; N159-K162 WeakPolarHBondContact O-CB 3.44Å; N159-K162 PolarHBondContact O-N 3.06Å; N159-K162 VanDerWaalsContact O-N 3.16Å; I160-K162 VanDerWaalsContact C-N 3.26Å; I160-K162 PolarHBondContact O-N 3.08Å; K162-T166 WeakPolarHBondContact O-CB 3.22Å; K162-T166 VanDerWaalsContact O-CG2 3.27Å; K162-T166 WeakPolarHBondContact O-CG2 3.36Å; K162-T166 PolarHBondContact O-N 2.89Å; K162-T166 PolarHBondContact O-OG1 2.91Å; K162-L172 HydrophobicContact CB-CD2 3.96Å
163	E	93.3	Very high	85.6	Confident	123 Å²	123	69.4 Å²	69.4	58%	0.575	35%	0.354	S	S	*	.	H	α-helix	trans	-64.9	-47.5	176.3	-75.6	177.1	-167.6	0	0	111	N159 I160 C165 T166 A167	N159-E163 WeakPolarHBondContact O-CB 3.46Å; N159-E163 WeakPolarHBondContact O-CG 3.49Å; N159-E163 PolarHBondContact O-N 3.14Å; I160-E163 PolarHBondContact O-N 3.42Å; E163-C165 PolarHBondContact O-N 3.33Å; E163-T166 WeakPolarHBondContact CA-OG1 3.36Å; E163-T166 PolarHBondContact O-N 2.95Å; E163-T166 PolarHBondContact O-OG1 3.09Å; E163-A167 WeakPolarHBondContact O-CB 3.45Å; E163-A167 PolarHBondContact O-N 2.77Å
164	E	94.4	Very high	85.9	Confident	86 Å²	86	68.7 Å²	68.7	40%	0.402	35%	0.349	S	S	.	.	H	α-helix	trans	-64.2	-39.3	178.6	-66.8	-80.7	-167.5	0	0	112.2	Q145 I160 Y190	Q145-E164 PolarHBondContact NE2-OE1 3.38Å; I160-E164 WeakPolarHBondContact O-CG 3.42Å; I160-E164 PolarHBondContact O-N 2.86Å; E164-Y190 HydrophobicContact CB-CE2 4.06Å; E164-Y190 VanDerWaalsContact CB-OH 3.24Å; E164-Y190 WeakPolarHBondContact CB-OH 3.5Å; E164-Y190 WeakPolarHBondContact CG-OH 3.37Å
165	C	91.8	Very high	86.2	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-62.7	-47.4	171.6	-68.6	0	0	0	0	112.2	A161 E163 A167 E168 L170 L172 C192	A161-C165 PolarHBondContact O-N 2.88Å; A161-C165 PolarHBondContact O-SG 3.31Å; E163-C165 PolarHBondContact O-N 3.33Å; C165-A167 VanDerWaalsContact C-N 3.28Å; C165-A167 PolarHBondContact O-N 2.91Å; C165-E168 PolarHBondContact O-N 2.82Å; C165-E168 VanDerWaalsContact O-N 3.14Å; C165-L170 CarbonylContact C-O 3.6Å; C165-L170 HydrophobicContact CB-CB 4.48Å; C165-L170 WeakPolarHBondContact O-CA 3.41Å; C165-L170 WeakPolarHBondContact O-CB 3.46Å; C165-L170 PolarHBondContact O-N 3.28Å; C165-L170 VanDerWaalsContact O-O 3.06Å; C165-L172 HydrophobicContact CB-CB 4.32Å; C165-C192 WeakPolarHBondContact CA-SG 3.46Å; C165-C192 HydrophobicContact CB-CB 3.8Å; C165-C192 WeakPolarHBondContact CB-SG 3.38Å; C165-C192 VanDerWaalsContact SG-CA 3.5Å; C165-C192 WeakPolarHBondContact SG-CB 3.41Å; C165-C192 CovalentContact SG-SG 2.04Å; C165-C192 PolarHBondContact SG-SG 3.43Å
166	T	89.6	Confident	86.8	Confident	83 Å²	83	62.8 Å²	62.8	51%	0.509	32%	0.321	S	S	.	.	H	α-helix	trans	-68.8	-27.3	-177	54.9	0	0	0	0	112.3	K162 E163 E168 N169 L170	K162-T166 WeakPolarHBondContact O-CB 3.22Å; K162-T166 VanDerWaalsContact O-CG2 3.27Å; K162-T166 WeakPolarHBondContact O-CG2 3.36Å; K162-T166 PolarHBondContact O-N 2.89Å; K162-T166 PolarHBondContact O-OG1 2.91Å; E163-T166 WeakPolarHBondContact CA-OG1 3.36Å; E163-T166 PolarHBondContact O-N 2.95Å; E163-T166 PolarHBondContact O-OG1 3.09Å; T166-E168 VanDerWaalsContact C-N 3.3Å; T166-E168 PolarHBondContact O-N 3.22Å; T166-N169 WeakPolarHBondContact O-CA 3.32Å; T166-N169 PolarHBondContact O-N 3.03Å; T166-L170 PolarHBondContact N-O 3.08Å
167	A	90.1	Very high	86.6	Confident	75 Å²	75	59.7 Å²	59.7	62%	0.62	31%	0.31	S	S	*	.	H	α-helix	trans	-61.4	-32.8	171.4	0	0	0	0	0	113.4	E163 C165 N169	E163-A167 WeakPolarHBondContact O-CB 3.45Å; E163-A167 PolarHBondContact O-N 2.77Å; C165-A167 VanDerWaalsContact C-N 3.28Å; C165-A167 PolarHBondContact O-N 2.91Å; A167-N169 VanDerWaalsContact C-N 3.3Å
168	E	85.6	Confident	86.3	Confident	90 Å²	90	60.7 Å²	60.7	42%	0.421	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	3.6	171.4	-69.2	-148.3	122.4	0	0	113.9	R141 C165 T166 L170	R141-E168 WeakPolarHBondContact CD-OE2 3.4Å; R141-E168 IonicContact CZ-OE1 3.36Å; R141-E168 IonicContact CZ-OE2 3.78Å; R141-E168 IonicContact NE-OE2 3.75Å; R141-E168 IonicContact NH1-OE1 2.8Å; R141-E168 PolarHBondContact NH1-OE1 3.49Å; R141-E168 IonicContact NH1-OE2 2.69Å; R141-E168 PolarHBondContact NH1-OE2 2.97Å; C165-E168 PolarHBondContact O-N 2.82Å; C165-E168 VanDerWaalsContact O-N 3.14Å; T166-E168 VanDerWaalsContact C-N 3.3Å; T166-E168 PolarHBondContact O-N 3.22Å; E168-L170 VanDerWaalsContact C-N 3.3Å; E168-L170 HydrophobicContact CB-CD1 3.9Å; E168-L170 HydrophobicContact CB-CG 3.87Å
169	N	87.9	Confident	86.3	Confident	147 Å²	147	61.9 Å²	61.9	79%	0.786	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	36.8	-167.1	-57.2	-102.1	0	0	0	112.8	T166 A167	T166-N169 WeakPolarHBondContact O-CA 3.32Å; T166-N169 PolarHBondContact O-N 3.03Å; A167-N169 VanDerWaalsContact C-N 3.3Å
170	L	90.9	Very high	85.8	Confident	24 Å²	24	61.4 Å²	61.4	13%	0.126	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	155.1	175.8	-56.5	178.8	0	0	0	110.5	C165 T166 E168 C192 C193 P194	C165-L170 CarbonylContact C-O 3.6Å; C165-L170 HydrophobicContact CB-CB 4.48Å; C165-L170 WeakPolarHBondContact O-CA 3.41Å; C165-L170 WeakPolarHBondContact O-CB 3.46Å; C165-L170 PolarHBondContact O-N 3.28Å; C165-L170 VanDerWaalsContact O-O 3.06Å; T166-L170 PolarHBondContact N-O 3.08Å; E168-L170 VanDerWaalsContact C-N 3.3Å; E168-L170 HydrophobicContact CB-CD1 3.9Å; E168-L170 HydrophobicContact CB-CG 3.87Å; L170-C192 HydrophobicContact CB-CB 3.72Å; L170-C192 HydrophobicContact CD1-CB 3.64Å; L170-C192 HydrophobicContact CG-CB 4.34Å; L170-C193 CarbonylContact C-O 3.59Å; L170-C193 WeakPolarHBondContact CA-O 3.49Å; L170-C193 WeakPolarHBondContact CB-O 3.19Å; L170-P194 HydrophobicContact CD2-CB 4.35Å; L170-P194 HydrophobicContact CD2-CG 4.31Å
171	E	88.1	Confident	85.2	Confident	109 Å²	109	61.6 Å²	61.6	51%	0.509	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	137.1	174.6	-75.6	164.8	-159.2	0	0	109.8	H173 C192 C193 G195 R196	E171-H173 PolarHBondContact O-N 3.41Å; E171-C192 CarbonylContact O-C 3.52Å; E171-C192 WeakPolarHBondContact O-CA 3.34Å; E171-C193 PolarHBondContact N-O 3.48Å; E171-C193 PolarHBondContact O-N 2.92Å; E171-G195 WeakPolarHBondContact OE1-CA 3.2Å; E171-G195 VanDerWaalsContact OE2-CA 3.31Å; E171-G195 WeakPolarHBondContact OE2-CA 3.49Å; E171-R196 PolarHBondContact OE1-N 3.31Å
172	L	86.4	Confident	84.5	Confident	40 Å²	40	63.8 Å²	63.8	21%	0.209	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	113.2	173.3	178.4	65.6	0	0	0	109.5	A161 K162 C165 Y175 Y190	A161-L172 HydrophobicContact CB-CD1 4.1Å; A161-L172 HydrophobicContact CB-CD2 4.22Å; K162-L172 HydrophobicContact CB-CD2 3.96Å; C165-L172 HydrophobicContact CB-CB 4.32Å; L172-Y175 HydrophobicContact CD2-CD1 4Å; L172-Y175 HydrophobicContact CG-CD1 4.43Å; L172-Y190 HydrophobicContact CD1-CD2 4.42Å; L172-Y190 HydrophobicContact CD1-CG 4.45Å
173	H	84.3	Confident	83.2	Confident	107 Å²	107	63.9 Å²	63.9	50%	0.495	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-41.9	-175.1	172.7	-78.8	0	0	0	112.8	E171 V191 C193	E171-H173 PolarHBondContact O-N 3.41Å; H173-V191 HydrophobicContact CB-CB 4.47Å; H173-V191 HydrophobicContact CB-CG1 4.3Å; H173-V191 WeakPolarHBondContact CB-O 3.48Å; H173-V191 PolarHBondContact N-O 2.96Å; H173-C193 HydrophobicContact CB-CB 4.11Å; H173-C193 WeakPolarHBondContact CB-SG 3.44Å; H173-C193 VanDerWaalsContact CD2-SG 3.54Å; H173-C193 VanDerWaalsContact CG-SG 3.55Å
174	S	80.1	Confident	82.5	Confident	28 Å²	28	61.7 Å²	61.7	20%	0.196	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	152.6	179.3	44.7	0	0	0	0	110.2	Y190 V191	S174-Y190 CarbonylContact O-C 3.52Å; S174-Y190 WeakPolarHBondContact O-CA 3.28Å; S174-V191 PolarHBondContact O-N 3.25Å
175	Y	83.9	Confident	82.1	Confident	66 Å²	66	59.4 Å²	59.4	26%	0.259	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	156.8	179.7	64.9	-75.4	0	0	0	111.4	Y154 H158 L172 M177 V188 E189	Y154-Y175 AromaticContact CE1-CE2 3.88Å; Y154-Y175 HydrophobicContact CE1-CE2 3.88Å; Y154-Y175 WeakPolarHBondContact CE1-OH 3.48Å; Y154-Y175 AromaticContact CZ-CE2 3.7Å; Y154-Y175 WeakPolarHBondContact OH-CE2 3.24Å; Y154-Y175 PolarHBondContact OH-OH 3.12Å; H158-Y175 HydrophobicContact CB-CE2 3.9Å; H158-Y175 AromaticContact CE1-CE1 3.73Å; H158-Y175 AromaticContact CE1-CZ 3.93Å; H158-Y175 AromaticContact CG-CZ 3.88Å; H158-Y175 AromaticContact ND1-CD1 3.83Å; H158-Y175 AromaticContact ND1-CE1 3.21Å; H158-Y175 WeakPolarHBondContact ND1-CE1 3.43Å; H158-Y175 AromaticContact ND1-CE2 3.58Å; H158-Y175 AromaticContact ND1-CZ 3.08Å; H158-Y175 PolarHBondContact ND1-OH 2.59Å; L172-Y175 HydrophobicContact CD2-CD1 4Å; L172-Y175 HydrophobicContact CG-CD1 4.43Å; Y175-M177 HydrophobicContact CD2-CE 3.86Å; Y175-M177 HydrophobicContact CE2-CE 3.74Å; Y175-V188 HydrophobicContact CD2-CG2 4.27Å; Y175-E189 CarbonylContact C-O 3.57Å; Y175-E189 WeakPolarHBondContact CA-O 3.33Å; Y175-E189 WeakPolarHBondContact CB-O 3.35Å
176	G	78.9	Confident	81.9	Confident	15 Å²	15	62.7 Å²	62.7	16%	0.155	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	146.3	178.7	0	0	0	0	0	110.2	V188 E189	G176-V188 WeakPolarHBondContact O-CA 3.05Å; G176-V188 WeakPolarHBondContact O-CG2 3.41Å; G176-E189 PolarHBondContact N-O 2.84Å; G176-E189 WeakPolarHBondContact O-CG 3.46Å; G176-E189 PolarHBondContact O-N 3.34Å
177	M	82.1	Confident	81.8	Confident	8 Å²	8	58.8 Å²	58.8	4%	0.039	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	144.1	-176.2	-64.1	-60.6	161.3	0	0	111.9	Y154 W157 Y175 F185 V188	Y154-M177 HydrophobicContact CD1-CE 4.08Å; Y154-M177 HydrophobicContact CD2-CE 3.59Å; Y154-M177 HydrophobicContact CD2-CG 3.68Å; Y154-M177 HydrophobicContact CD2-SD 4.34Å; Y154-M177 HydrophobicContact CE1-CE 4.21Å; Y154-M177 HydrophobicContact CE2-CE 3.74Å; Y154-M177 HydrophobicContact CE2-CG 3.87Å; Y154-M177 HydrophobicContact CG-CE 3.77Å; Y154-M177 WeakPolarHBondContact O-CE 3.32Å; W157-M177 HydrophobicContact CB-CE 3.84Å; W157-M177 HydrophobicContact CB-SD 3.54Å; W157-M177 VanDerWaalsContact CB-SD 3.54Å; W157-M177 HydrophobicContact CG-SD 4.25Å; Y175-M177 HydrophobicContact CD2-CE 3.86Å; Y175-M177 HydrophobicContact CE2-CE 3.74Å; M177-F185 HydrophobicContact CB-CB 4.15Å; M177-F185 HydrophobicContact CB-CD1 3.43Å; M177-F185 VanDerWaalsContact CB-CD1 3.43Å; M177-F185 HydrophobicContact CB-CD2 4.01Å; M177-F185 HydrophobicContact CB-CE1 3.75Å; M177-F185 HydrophobicContact CB-CE2 4.31Å; M177-F185 HydrophobicContact CB-CG 3.57Å; M177-F185 HydrophobicContact CB-CZ 4.18Å; M177-F185 HydrophobicContact CG-CD1 4.14Å; M177-F185 HydrophobicContact CG-CD2 3.79Å; M177-F185 HydrophobicContact CG-CE1 4.32Å; M177-F185 HydrophobicContact CG-CE2 4Å; M177-F185 HydrophobicContact CG-CG 3.87Å; M177-F185 HydrophobicContact CG-CZ 4.26Å; M177-F185 HydrophobicContact SD-CB 4.42Å; M177-F185 HydrophobicContact SD-CD2 4.21Å; M177-F185 HydrophobicContact SD-CG 4.32Å; M177-V188 HydrophobicContact SD-CB 4.3Å; M177-V188 HydrophobicContact SD-CG2 4.3Å
178	L	80.1	Confident	81.9	Confident	21 Å²	21	55.2 Å²	55.2	11%	0.11	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	138.5	179.4	-63.5	178.3	0	0	0	111.4	H144 R186 G187 E189	H144-L178 HydrophobicContact CB-CD1 3.99Å; L178-R186 PolarHBondContact O-N 3.12Å; L178-R186 VanDerWaalsContact O-N 3.15Å; L178-G187 PolarHBondContact N-O 3.05Å; L178-G187 PolarHBondContact O-N 2.99Å; L178-E189 HydrophobicContact CD1-CB 4.13Å; L178-E189 HydrophobicContact CD2-CB 4.28Å; L178-E189 HydrophobicContact CD2-CG 3.87Å; L178-E189 HydrophobicContact CG-CB 4.26Å; L178-E189 HydrophobicContact CG-CG 4.18Å
179	L	75	Confident	82.1	Confident	68 Å²	68	52 Å²	52	36%	0.356	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.4	81.7	170.9	-58.5	179.3	0	0	0	113.2	E146 M148 R186	E146-L179 HydrophobicContact CG-CD1 3.97Å; M148-L179 HydrophobicContact SD-CD1 3.8Å; L179-R186 HydrophobicContact CB-CB 4.14Å; L179-R186 WeakPolarHBondContact O-CG 3.21Å; L179-R186 PolarHBondContact O-N 3.15Å; L179-R186 VanDerWaalsContact O-N 3.09Å
180	P	71.5	Confident	82.4	Confident	60 Å²	60	45.2 Å²	45.2	39%	0.39	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	147.1	174.9	24.6	-34.2	0	0	0	112.1	Y129 F185	Y129-P180 VanDerWaalsContact CD1-CD 3.49Å; Y129-P180 HydrophobicContact CD1-CG 4.23Å; Y129-P180 HydrophobicContact CD2-CG 4.1Å; Y129-P180 HydrophobicContact CG-CG 3.93Å; P180-F185 HydrophobicContact CB-CD1 4.11Å; P180-F185 HydrophobicContact CB-CE1 4.1Å
181	C	78.9	Confident	82.4	Confident	36 Å²	36	44.1 Å²	44.1	24%	0.243	24%	0.235	C	C	.	.			trans	-136.3	31.3	-176.2	56.5	0	0	0	0	113.1	C151 H184 R186	C151-C181 VanDerWaalsContact CA-SG 3.51Å; C151-C181 HydrophobicContact CB-CB 4.14Å; C151-C181 WeakPolarHBondContact CB-SG 3.19Å; C151-C181 WeakPolarHBondContact SG-CB 3.49Å; C151-C181 CovalentContact SG-SG 2.04Å; C151-C181 PolarHBondContact SG-SG 3.4Å; C181-H184 PolarHBondContact N-O 3.31Å; C181-H184 PolarHBondContact SG-O 3.44Å; C181-R186 HydrophobicContact CB-CG 3.85Å
182	G	74.1	Confident	82.8	Confident	45 Å²	45	39 Å²	39	46%	0.464	21%	0.211	S	C	.	.	S	Bend	trans	113.9	-146.4	-163	0	0	0	0	0	108.2	H184	G182-H184 PolarHBondContact O-N 2.95Å
183	D	59.2	Low	83	Confident	111 Å²	111	37.8 Å²	37.8	59%	0.594	21%	0.206	S	C	*	.	S	Bend	trans	-70.1	17.5	173.2	-50.7	-71.7	0	0	0	114	N74	N74-D183 VanDerWaalsContact ND2-CG 3.26Å; N74-D183 PolarHBondContact ND2-OD1 3.46Å; N74-D183 PolarHBondContact ND2-OD2 3.16Å
184	H	79.2	Confident	83.3	Confident	77 Å²	77	36.1 Å²	36.1	36%	0.356	21%	0.205	S	C	.	.	S	Bend	trans	-142.7	162	-164.9	-72.1	49.5	0	0	0	108.1	C151 E152 C181 G182	C151-H184 VanDerWaalsContact SG-CB 3.51Å; E152-H184 WeakPolarHBondContact O-CA 3.34Å; E152-H184 WeakPolarHBondContact O-CB 3.34Å; C181-H184 PolarHBondContact N-O 3.31Å; C181-H184 PolarHBondContact SG-O 3.44Å; G182-H184 PolarHBondContact O-N 2.95Å
185	F	85.9	Confident	82.8	Confident	38 Å²	38	35.6 Å²	35.6	17%	0.167	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	161.1	-174.7	-55.4	-82.4	0	0	0	111.2	C151 E152 Y154 W157 M177 P180	C151-F185 WeakPolarHBondContact CA-O 3.12Å; E152-F185 PolarHBondContact N-O 3.48Å; E152-F185 PolarHBondContact O-N 3.27Å; Y154-F185 HydrophobicContact CD2-CE2 4.1Å; W157-F185 PolarHBondContact NE1-O 2.8Å; M177-F185 HydrophobicContact CB-CB 4.15Å; M177-F185 HydrophobicContact CB-CD1 3.43Å; M177-F185 VanDerWaalsContact CB-CD1 3.43Å; M177-F185 HydrophobicContact CB-CD2 4.01Å; M177-F185 HydrophobicContact CB-CE1 3.75Å; M177-F185 HydrophobicContact CB-CE2 4.31Å; M177-F185 HydrophobicContact CB-CG 3.57Å; M177-F185 HydrophobicContact CB-CZ 4.18Å; M177-F185 HydrophobicContact CG-CD1 4.14Å; M177-F185 HydrophobicContact CG-CD2 3.79Å; M177-F185 HydrophobicContact CG-CE1 4.32Å; M177-F185 HydrophobicContact CG-CE2 4Å; M177-F185 HydrophobicContact CG-CG 3.87Å; M177-F185 HydrophobicContact CG-CZ 4.26Å; M177-F185 HydrophobicContact SD-CB 4.42Å; M177-F185 HydrophobicContact SD-CD2 4.21Å; M177-F185 HydrophobicContact SD-CG 4.32Å; P180-F185 HydrophobicContact CB-CD1 4.11Å; P180-F185 HydrophobicContact CB-CE1 4.1Å
186	R	87.8	Confident	81.7	Confident	69 Å²	69	44 Å²	44	26%	0.26	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-0.3	178.1	-55.7	-168.6	173.3	-77.9	-1.6	113.7	Q147 M148 I150 W157 L178 L179 C181	Q147-R186 PolarHBondContact N-O 2.85Å; M148-R186 PolarHBondContact O-NH1 3.02Å; M148-R186 VanDerWaalsContact O-NH1 3.11Å; I150-R186 WeakPolarHBondContact O-CG 3.43Å; I150-R186 PolarHBondContact O-NH1 3.22Å; W157-R186 WeakPolarHBondContact CZ2-O 3.32Å; L178-R186 PolarHBondContact O-N 3.12Å; L178-R186 VanDerWaalsContact O-N 3.15Å; L179-R186 HydrophobicContact CB-CB 4.14Å; L179-R186 WeakPolarHBondContact O-CG 3.21Å; L179-R186 PolarHBondContact O-N 3.15Å; L179-R186 VanDerWaalsContact O-N 3.09Å; C181-R186 HydrophobicContact CB-CG 3.85Å
187	G	87.9	Confident	80	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.5	-175.6	177.3	0	0	0	0	0	113.2	Q145 L178	Q145-G187 CarbonylContact O-C 3.04Å; Q145-G187 WeakPolarHBondContact O-CA 3.35Å; L178-G187 PolarHBondContact N-O 3.05Å; L178-G187 PolarHBondContact O-N 2.99Å
188	V	91.8	Very high	77.8	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	139.1	-179.3	58.5	0	0	0	0	109.8	H144 Q145 W157 A161 Y175 G176 M177 Y190	H144-V188 CarbonylContact C-O 3.58Å; H144-V188 WeakPolarHBondContact CA-O 3.36Å; H144-V188 WeakPolarHBondContact CB-O 3.42Å; Q145-V188 PolarHBondContact N-O 2.04Å; Q145-V188 PolarHBondContact O-N 3.07Å; W157-V188 HydrophobicContact CB-CB 4.11Å; W157-V188 HydrophobicContact CB-CG1 4.35Å; W157-V188 HydrophobicContact CE3-CB 4.44Å; W157-V188 HydrophobicContact CE3-CG1 3.82Å; A161-V188 HydrophobicContact CB-CG1 4.19Å; A161-V188 HydrophobicContact CB-CG2 4.05Å; Y175-V188 HydrophobicContact CD2-CG2 4.27Å; G176-V188 WeakPolarHBondContact O-CA 3.05Å; G176-V188 WeakPolarHBondContact O-CG2 3.41Å; M177-V188 HydrophobicContact SD-CB 4.3Å; M177-V188 HydrophobicContact SD-CG2 4.3Å; V188-Y190 HydrophobicContact CG1-CD1 3.91Å; V188-Y190 HydrophobicContact CG1-CE1 4.06Å; V188-Y190 HydrophobicContact CG2-CD1 4.24Å
189	E	90.9	Very high	75.8	Confident	22 Å²	22	58.1 Å²	58.1	10%	0.103	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	142.8	163.2	55.5	-177.7	-168.3	0	0	109.3	S131 L134 F142 L143 H144 Y175 G176 L178	S131-E189 WeakPolarHBondContact CB-OE1 3.27Å; S131-E189 VanDerWaalsContact OG-CD 3.27Å; S131-E189 PolarHBondContact OG-OE1 2.78Å; L134-E189 HydrophobicContact CD1-CB 4.47Å; L134-E189 HydrophobicContact CD1-CG 4.04Å; L134-E189 WeakPolarHBondContact CD1-O 3.08Å; L134-E189 HydrophobicContact CG-CG 4.48Å; F142-E189 HydrophobicContact CE2-CB 3.98Å; F142-E189 HydrophobicContact CE2-CG 4.42Å; F142-E189 HydrophobicContact CZ-CB 3.74Å; F142-E189 HydrophobicContact CZ-CG 4.4Å; F142-E189 WeakPolarHBondContact CZ-OE2 3.44Å; L143-E189 WeakPolarHBondContact O-CA 3.08Å; H144-E189 HydrophobicContact CB-CB 3.9Å; Y175-E189 CarbonylContact C-O 3.57Å; Y175-E189 WeakPolarHBondContact CA-O 3.33Å; Y175-E189 WeakPolarHBondContact CB-O 3.35Å; G176-E189 PolarHBondContact N-O 2.84Å; G176-E189 WeakPolarHBondContact O-CG 3.46Å; G176-E189 PolarHBondContact O-N 3.34Å; L178-E189 HydrophobicContact CD1-CB 4.13Å; L178-E189 HydrophobicContact CD2-CB 4.28Å; L178-E189 HydrophobicContact CD2-CG 3.87Å; L178-E189 HydrophobicContact CG-CB 4.26Å; L178-E189 HydrophobicContact CG-CG 4.18Å
190	Y	92.9	Very high	73.9	Confident	6 Å²	6	62.3 Å²	62.3	2%	0.024	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	154.4	-170.7	54.2	-87	0	0	0	113.3	F142 L143 Q145 A161 E164 L172 S174 V188	F142-Y190 WeakPolarHBondContact CA-O 3.29Å; L143-Y190 HydrophobicContact CB-CD2 3.93Å; L143-Y190 HydrophobicContact CB-CE1 4.34Å; L143-Y190 HydrophobicContact CB-CE2 3.51Å; L143-Y190 HydrophobicContact CB-CG 4.49Å; L143-Y190 HydrophobicContact CD1-CD2 4.47Å; L143-Y190 HydrophobicContact CD1-CE2 4.07Å; L143-Y190 HydrophobicContact CG-CE2 4.31Å; L143-Y190 PolarHBondContact N-O 2.82Å; L143-Y190 PolarHBondContact O-N 2.94Å; Q145-Y190 HydrophobicContact CB-CE1 4.32Å; A161-Y190 HydrophobicContact CB-CD1 3.65Å; A161-Y190 HydrophobicContact CB-CD2 4.17Å; A161-Y190 HydrophobicContact CB-CE1 4.19Å; A161-Y190 HydrophobicContact CB-CG 3.64Å; E164-Y190 HydrophobicContact CB-CE2 4.06Å; E164-Y190 VanDerWaalsContact CB-OH 3.24Å; E164-Y190 WeakPolarHBondContact CB-OH 3.5Å; E164-Y190 WeakPolarHBondContact CG-OH 3.37Å; L172-Y190 HydrophobicContact CD1-CD2 4.42Å; L172-Y190 HydrophobicContact CD1-CG 4.45Å; S174-Y190 CarbonylContact O-C 3.52Å; S174-Y190 WeakPolarHBondContact O-CA 3.28Å; V188-Y190 HydrophobicContact CG1-CD1 3.91Å; V188-Y190 HydrophobicContact CG1-CE1 4.06Å; V188-Y190 HydrophobicContact CG2-CD1 4.24Å
191	V	92.3	Very high	72.2	Confident	0 Å²	0	63 Å²	63	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116.6	178.4	-179.5	0	0	0	0	109	L134 V136 C140 R141 F142 H173 S174	L134-V191 HydrophobicContact CB-CG2 4.15Å; L134-V191 HydrophobicContact CD1-CG2 4.24Å; V136-V191 HydrophobicContact CG1-CG1 4.23Å; V136-V191 HydrophobicContact CG2-CG2 4.11Å; C140-V191 HydrophobicContact CB-CG1 3.66Å; R141-V191 CarbonylContact O-C 3.59Å; R141-V191 VanDerWaalsContact O-CA 3.28Å; R141-V191 WeakPolarHBondContact O-CA 3.48Å; F142-V191 HydrophobicContact CD2-CG2 4.06Å; H173-V191 HydrophobicContact CB-CB 4.47Å; H173-V191 HydrophobicContact CB-CG1 4.3Å; H173-V191 WeakPolarHBondContact CB-O 3.48Å; H173-V191 PolarHBondContact N-O 2.96Å; S174-V191 PolarHBondContact O-N 3.25Å
192	C	94.9	Very high	70	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.007	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.3	171.5	-53	0	0	0	0	109.6	C140 R141 L143 C165 L170 E171	C140-C192 CarbonylContact C-O 3.55Å; C140-C192 WeakPolarHBondContact CA-O 3.27Å; C140-C192 WeakPolarHBondContact CB-O 3.32Å; R141-C192 PolarHBondContact N-O 2.91Å; R141-C192 PolarHBondContact O-N 3.35Å; L143-C192 HydrophobicContact CD1-CB 4.16Å; L143-C192 VanDerWaalsContact CD1-SG 3.53Å; C165-C192 WeakPolarHBondContact CA-SG 3.46Å; C165-C192 HydrophobicContact CB-CB 3.8Å; C165-C192 WeakPolarHBondContact CB-SG 3.38Å; C165-C192 VanDerWaalsContact SG-CA 3.5Å; C165-C192 WeakPolarHBondContact SG-CB 3.41Å; C165-C192 CovalentContact SG-SG 2.04Å; C165-C192 PolarHBondContact SG-SG 3.43Å; L170-C192 HydrophobicContact CB-CB 3.72Å; L170-C192 HydrophobicContact CD1-CB 3.64Å; L170-C192 HydrophobicContact CG-CB 4.34Å; E171-C192 CarbonylContact O-C 3.52Å; E171-C192 WeakPolarHBondContact O-CA 3.34Å
193	C	90.9	Very high	68	Low	15 Å²	15	72.5 Å²	72.5	10%	0.101	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	150.4	177	-72.4	0	0	0	0	111.2	C140 L170 E171 H173 G195	C140-C193 HydrophobicContact CB-CB 4.03Å; C140-C193 WeakPolarHBondContact CB-SG 3.48Å; C140-C193 VanDerWaalsContact SG-CA 3.55Å; C140-C193 WeakPolarHBondContact SG-CB 3.46Å; C140-C193 CovalentContact SG-SG 2.03Å; C140-C193 PolarHBondContact SG-SG 2.98Å; L170-C193 CarbonylContact C-O 3.59Å; L170-C193 WeakPolarHBondContact CA-O 3.49Å; L170-C193 WeakPolarHBondContact CB-O 3.19Å; E171-C193 PolarHBondContact N-O 3.48Å; E171-C193 PolarHBondContact O-N 2.92Å; H173-C193 HydrophobicContact CB-CB 4.11Å; H173-C193 WeakPolarHBondContact CB-SG 3.44Å; H173-C193 VanDerWaalsContact CD2-SG 3.54Å; H173-C193 VanDerWaalsContact CG-SG 3.55Å; C193-G195 PolarHBondContact O-N 3.49Å; C193-G195 VanDerWaalsContact O-N 3.07Å
194	P	90.3	Very high	66.9	Low	73 Å²	73	76.5 Å²	76.5	47%	0.474	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	115.2	169.2	-21.6	33.4	0	0	0	109.9	R139 L170	R139-P194 HydrophobicContact CB-CG 4.3Å; R139-P194 WeakPolarHBondContact O-CD 3.44Å; L170-P194 HydrophobicContact CD2-CB 4.35Å; L170-P194 HydrophobicContact CD2-CG 4.31Å
195	G	71.6	Confident	64.5	Low	16 Å²	16	79.5 Å²	79.5	17%	0.165	46%	0.457	C	S	.	.			trans	-63	158.4	-176.9	0	0	0	0	0	113.1	E171 C193 S197	E171-G195 WeakPolarHBondContact OE1-CA 3.2Å; E171-G195 VanDerWaalsContact OE2-CA 3.31Å; E171-G195 WeakPolarHBondContact OE2-CA 3.49Å; C193-G195 PolarHBondContact O-N 3.49Å; C193-G195 VanDerWaalsContact O-N 3.07Å; G195-S197 PolarHBondContact O-N 2.99Å; G195-S197 PolarHBondContact O-OG 3.16Å
196	R	59.8	Low	62	Low	243 Å²	243	86 Å²	86	92%	0.917	49%	0.488	S	S	*	.			trans	-74.5	36.7	-176.6	-71.2	-171.5	177.1	-179.6	3.1	113.9	E171	E171-R196 PolarHBondContact OE1-N 3.31Å
197	S	42.5	Very low	59.3	Low	106 Å²	106	89.7 Å²	89.7	74%	0.741	51%	0.508	S	S	*	.			trans	-58.2	139.1	170.1	63.1	0	0	0	0	111.8	G195 S199	G195-S197 PolarHBondContact O-N 2.99Å; G195-S197 PolarHBondContact O-OG 3.16Å; S197-S199 PolarHBondContact O-N 3.29Å
198	S	37.4	Very low	56.5	Low	110 Å²	110	96.6 Å²	96.6	77%	0.769	54%	0.538	S	S	*	.			trans	-59.4	124.3	-167.7	-54.5	0	0	0	0	113.4	N200	S198-N200 PolarHBondContact O-N 2.83Å
199	S	36.5	Very low	53.4	Low	125 Å²	125	103.3 Å²	103.3	87%	0.874	57%	0.574	S	S	*	*			trans	-73.8	56.8	173	51.3	0	0	0	0	112.5	S197 G201	S197-S199 PolarHBondContact O-N 3.29Å; S199-G201 PolarHBondContact O-N 3.48Å
200	N	35	Very low	50.3	Low	155 Å²	155	108.4 Å²	108.4	83%	0.829	61%	0.606	S	S	*	*			trans	-73.7	94.3	179.6	-146.3	5.6	0	0	0	109.4	S198 K202	S198-N200 PolarHBondContact O-N 2.83Å; N200-K202 PolarHBondContact O-N 3.31Å
201	G	35.8	Very low	48.2	Very low	74 Å²	74	112.9 Å²	112.9	76%	0.763	64%	0.636	S	S	*	*			trans	-68.9	120	-161.9	0	0	0	0	0	115.7	S199	S199-G201 PolarHBondContact O-N 3.48Å
202	K	34.1	Very low	45.1	Very low	213 Å²	213	120.9 Å²	120.9	93%	0.926	67%	0.674	S	S	*	*			trans	-142.5	136.6	148.5	-100.7	169.6	-177.7	169.5	0	107.7	N200	N200-K202 PolarHBondContact O-N 3.31Å
203	G	30.7	Very low	41.8	Very low	69 Å²	69	126.1 Å²	126.1	71%	0.711	71%	0.706	S	S	*	*			trans	-121.6	-169.7	-164.4	0	0	0	0	0	115.1
204	E	36.4	Very low	38.7	Very low	194 Å²	194	132.9 Å²	132.9	91%	0.907	74%	0.74	S	S	*	*			trans	68.4	131.1	177.7	-52.2	179	159.9	0	0	112.8
205	T	29.4	Very low	35.6	Very low	141 Å²	141	133.8 Å²	133.8	87%	0.865	75%	0.754	S	S	*	*			cis	-140.4	-160.2	42.9	48.1	0	0	0	0	114.6
206	E	32.9	Very low	33.5	Very low	173 Å²	173	137.5 Å²	137.5	81%	0.808	78%	0.777	S	S	*	*			trans	-109	170.1	-153.4	-45.7	170.7	101.3	0	0	116.5
207	E	31.6	Very low	31.9	Very low	148 Å²	148	134.3 Å²	134.3	69%	0.692	77%	0.773	S	S	*	*			trans	68.9	152.8	157.2	-65	-160.7	145.7	0	0	118.4
208	K	29	Very low	31.2	Very low	145 Å²	145	135.7 Å²	135.7	63%	0.63	78%	0.777	S	S	*	*			cis	-161	154.2	1.1	-128.6	171.8	-171.1	134.3	0	113.6
209	D	26.4	Very low	30.6	Very low	141 Å²	141	135.3 Å²	135.3	75%	0.754	78%	0.78	S	S	*	*			trans	58.5	172.1	149.5	-81.7	-51.9	0	0	0	122.6
210	V	26.5	Very low	30.1	Very low	128 Å²	128	131.1 Å²	131.1	78%	0.776	76%	0.757	S	S	*	*			trans	-155	168.7	-152.8	177.3	0	0	0	0	108.2
211	P	48	Very low	29.7	Very low	101 Å²	101	132.2 Å²	132.2	66%	0.656	75%	0.754	S	S	*	*			cis	-123.5	-174.7	-26.3	27	-4.3	0	0	0	114.3
212	Q	28	Very low	29.2	Very low	168 Å²	168	134.9 Å²	134.9	79%	0.785	75%	0.751	S	S	*	*				146.2	138.6	119.9	-96.7	175.6	24.2	0	0	121.3
213	T	25.3	Very low	28.9	Very low	111 Å²	111	131.4 Å²	131.4	68%	0.681	74%	0.742	S	S	*	*			trans	79	119.2	139.8	52.3	0	0	0	0	126.7
214	L	25	Very low	28.7	Very low	157 Å²	157	132.9 Å²	132.9	82%	0.822	74%	0.741	S	S	*	*			trans	73.2	118.5	131	-92.2	80.6	0	0	0	125.2
215	A	25.7	Very low	28.2	Very low	92 Å²	92	129.6 Å²	129.6	76%	0.76	73%	0.734	S	S	*	*				68.6	161.9	128.5	0	0	0	0	0	119.9
216	S	26.8	Very low	28	Very low	93 Å²	93	127.2 Å²	127.2	65%	0.65	73%	0.729	S	S	*	*			cis	-160.7	150.3	2.1	-148	0	0	0	0	114.2
217	Q	27	Very low	27.6	Very low	176 Å²	176	127.9 Å²	127.9	82%	0.822	73%	0.73	S	S	*	*			trans	17	135.7	144.8	-57.6	167.6	39.5	0	0	123.3
218	T	26.8	Very low	27.3	Very low	135 Å²	135	125 Å²	125	83%	0.828	73%	0.731	S	S	*	*				-172	123.1	123.2	33.1	0	0	0	0	108.7
219	A	25.7	Very low	27	Very low	102 Å²	102	126 Å²	126	84%	0.843	74%	0.74	S	S	*	*				58.7	120.2	61.6	0	0	0	0	0	113.6
220	G	26.3	Very low	27	Very low	38 Å²	38	125.2 Å²	125.2	39%	0.392	74%	0.74	S	S	.	*			cis	173.3	-150.6	12.4	0	0	0	0	0	107
221	K	26.4	Very low	27.2	Very low	177 Å²	177	123.9 Å²	123.9	77%	0.77	73%	0.734	S	S	*	*			cis	-174.2	119.9	0.1	-178.4	172.3	179.9	167.4	0	112.8
222	L	26.1	Very low	26	Very low	131 Å²	131	125.1 Å²	125.1	69%	0.686	74%	0.74	S	S	*	*			trans	67.2	147.2	148.8	-68.5	176.7	0	0	0	125.2
223	N	26.1	Very low	26.1	Very low	139 Å²	139	122.4 Å²	122.4	74%	0.743	74%	0.737	S	S	*	*			trans	87.2	143.6	138.8	-78.2	-6.9	0	0	0	121.2
224	S	27.4	Very low	25.9	Very low	100 Å²	100	122.3 Å²	122.3	70%	0.699	74%	0.741	S	S	*	*			cis	125.6	142.3	16	-168.7	0	0	0	0	107.8
225	V	25.7	Very low	26.4	Very low	125 Å²	125	120.4 Å²	120.4	76%	0.758	74%	0.738	S	S	*	*			cis	-166.2	151.4	2.4	107.2	0	0	0	0	111.7
226	A	25.8	Very low	26.4	Very low	92 Å²	92	120.7 Å²	120.7	76%	0.76	73%	0.734	S	S	*	*			trans	52.5	169.3	154.1	0	0	0	0	0	120.1
227	K	24.9	Very low	27	Very low	187 Å²	187	121.2 Å²	121.2	81%	0.813	74%	0.735	S	S	*	*			cis	-172.1	115.5	43.4	179	176.1	178.3	175.8	0	116.6
228	A	23.7	Very low	27	Very low	88 Å²	88	120.4 Å²	120.4	73%	0.727	73%	0.732	S	S	*	*				55.2	159.6	129.6	0	0	0	0	0	125.4
229	M	24.3	Very low	27.1	Very low	165 Å²	165	120.9 Å²	120.9	81%	0.813	73%	0.734	S	S	*	*			trans	98.7	125.2	162.6	-61.1	169.6	58.8	0	0	117.3
230	V	25.5	Very low	27.3	Very low	125 Å²	125	122.5 Å²	122.5	76%	0.758	73%	0.729	S	S	*	*			cis	97.1	134.8	24.6	169.3	0	0	0	0	113
231	P	30.6	Very low	27.4	Very low	99 Å²	99	129.1 Å²	129.1	64%	0.643	75%	0.754	S	S	*	*			cis	-149.2	178.6	-25.3	42.9	-23.2	0	0	0	117.5
232	T	21.9	Very low	27.6	Very low	128 Å²	128	127.6 Å²	127.6	79%	0.785	76%	0.755	S	S	*	*			trans	48.2	176	148.8	37.8	0	0	0	0	122.1
233	P	31.3	Very low	28	Very low	110 Å²	110	129.2 Å²	129.2	71%	0.714	76%	0.759	S	S	*	*			cis	-129.9	168.7	-4.1	40.9	-24.1	0	0	0	118.5
234	S	21.6	Very low	28.1	Very low	110 Å²	110	128.3 Å²	128.3	77%	0.769	76%	0.758	S	S	*	*			trans	12.6	169.1	140	-41.8	0	0	0	0	123.6
235	P	35.4	Very low	28.1	Very low	116 Å²	116	130 Å²	130	75%	0.753	76%	0.759	S	S	*	*			cis	-143.3	177.6	13.1	44.4	-25	0	0	0	120
236	S	25.3	Very low	28.3	Very low	98 Å²	98	130.1 Å²	130.1	69%	0.685	75%	0.753	S	S	*	*			trans	3.1	172.8	145	-46.1	0	0	0	0	122.7
237	P	39.7	Very low	28.6	Very low	105 Å²	105	133 Å²	133	68%	0.682	75%	0.751	S	S	*	*			cis	-130.8	154.2	8.3	43.2	-26	0	0	0	116.2
238	E	25.9	Very low	28.8	Very low	159 Å²	159	131.2 Å²	131.2	74%	0.743	75%	0.75	S	S	*	*				66.4	128	85.4	-47.7	160	171.8	0	0	117.6
239	T	30.4	Very low	29.6	Very low	144 Å²	144	136.1 Å²	136.1	88%	0.883	76%	0.758	S	S	*	*			trans	-158.9	130.4	143.2	31.8	0	0	0	0	109.1
240	D	28.6	Very low	30	Very low	137 Å²	137	135.9 Å²	135.9	73%	0.733	76%	0.76	S	S	*	*			trans	-99.2	160.9	-171.6	-36.9	-86.6	0	0	0	113.8
241	L	29.7	Very low	30.4	Very low	176 Å²	176	137.7 Å²	137.7	92%	0.921	77%	0.765	S	S	*	*			trans	-150.5	112.2	154.7	-77	-175.3	0	0	0	110.8
242	D	30.1	Very low	30.5	Very low	146 Å²	146	141.8 Å²	141.8	78%	0.781	78%	0.776	S	S	*	*			trans	-80.9	-177.8	154.1	-52.3	-74.7	0	0	0	108.9
243	E	33	Very low	31.1	Very low	164 Å²	164	141.4 Å²	141.4	77%	0.766	77%	0.773	S	S	*	*			cis	-166.9	149.1	18.1	-155.7	178.9	-173	0	0	109.3
244	V	29.2	Very low	31.1	Very low	121 Å²	121	143.8 Å²	143.8	73%	0.733	78%	0.778	S	S	*	*			trans	55.6	162.6	162.3	-73.4	0	0	0	0	120.1
245	D	27.8	Very low	31.7	Very low	134 Å²	134	144.9 Å²	144.9	72%	0.717	78%	0.775	S	S	*	*			cis	-151.7	142.6	9.8	-136.2	15.2	0	0	0	113.4
246	M	29.3	Very low	31.7	Very low	129 Å²	129	146 Å²	146	64%	0.635	77%	0.77	S	S	*	*			trans	52.7	139.1	135.7	-63.9	-76.8	-82.8	0	0	126
247	E	31.4	Very low	32	Very low	153 Å²	153	149.6 Å²	149.6	72%	0.715	78%	0.777	S	S	*	*			trans	66.2	145	148.4	-69.1	166.5	170	0	0	117.9
248	D	30.9	Very low	31.7	Very low	149 Å²	149	149.3 Å²	149.3	80%	0.797	77%	0.766	S	S	*	*			cis	-135.6	177.8	13.3	-96.4	-51.3	0	0	0	113.4
249	E	39.3	Very low	31.8	Very low	191 Å²	191	150.3 Å²	150.3	89%	0.893	77%	0.771	S	S	*	*			trans	-97.5	133.3	167	-64	-179.3	133.8	0	0	110.9
250	D	32.6	Very low	32	Very low	159 Å²	159	149.6 Å²	149.6	85%	0.85	76%	0.758	S	S	*	*			trans	-142.8	142	164.8	-100.1	-43.4	0	0	0	110.3
251	D	35.4	Very low	32.1	Very low	163 Å²	163	151.5 Å²	151.5	87%	0.872	76%	0.762	S	S	*	*			trans	-87.3	103.5	178	-79.7	-53.2	0	0	0	110.3	V253	D251-V253 PolarHBondContact O-N 3.22Å
252	E	31.7	Very low	32.3	Very low	186 Å²	186	152 Å²	152	87%	0.869	76%	0.76	S	S	*	*			trans	-73.4	113.7	171.5	-75.7	-171.4	153.8	0	0	111.3
253	V	34.1	Very low	32.3	Very low	120 Å²	120	153.5 Å²	153.5	73%	0.727	76%	0.762	S	S	*	*			trans	-71.6	123.4	165.4	179.3	0	0	0	0	108.1	D251	D251-V253 PolarHBondContact O-N 3.22Å
254	I	32.1	Very low	32.4	Very low	160 Å²	160	154.2 Å²	154.2	82%	0.821	77%	0.765	S	S	*	*			trans	-94	112.3	169.7	-60.4	174.3	0	0	0	107
255	D	32.9	Very low	32.5	Very low	132 Å²	132	155.9 Å²	155.9	71%	0.706	77%	0.77	S	S	*	*			trans	-75	147.1	176.3	-79.2	-57.2	0	0	0	111.9	E257	D255-E257 PolarHBondContact O-N 2.9Å; D255-E257 VanDerWaalsContact O-N 3.15Å
256	E	36.8	Very low	32.6	Very low	139 Å²	139	155.9 Å²	155.9	65%	0.65	77%	0.77	S	S	*	*			trans	-78.9	83.2	174.1	-72.3	-178.6	-168.5	0	0	110.2	R417	E256-R417 IonicContact OE1-NH1 3.37Å; E256-R417 IonicContact OE2-CZ 3.72Å; E256-R417 IonicContact OE2-NH1 2.67Å; E256-R417 PolarHBondContact OE2-NH1 2.63Å; E256-R417 IonicContact OE2-NH2 3.84Å; E256-R417 PolarHBondContact OE2-NH2 3.35Å
257	E	31	Very low	32.9	Very low	175 Å²	175	156.4 Å²	156.4	82%	0.818	77%	0.774	S	S	*	*			trans	-97.2	99.5	163.5	-67.3	-165	150.8	0	0	110	D255 E259	D255-E257 PolarHBondContact O-N 2.9Å; D255-E257 VanDerWaalsContact O-N 3.15Å; E257-E259 PolarHBondContact O-N 3.33Å
258	E	32.9	Very low	32.9	Very low	99 Å²	99	154.9 Å²	154.9	46%	0.463	77%	0.771	S	S	.	*			trans	-80.3	94.6	170.7	-67.7	179.4	126.3	0	0	109.4	E260 K362 H481	E258-E260 PolarHBondContact O-N 2.83Å; E258-K362 IonicContact OE2-NZ 2.77Å; E258-K362 PolarHBondContact OE2-NZ 2.72Å; E258-H481 IonicContact OE1-CD2 2.81Å
259	E	29.2	Very low	32.9	Very low	180 Å²	180	156.3 Å²	156.3	84%	0.841	77%	0.773	S	S	*	*			trans	-71	91.4	167	-70.4	-173.4	139.5	0	0	110	E257 E261	E257-E259 PolarHBondContact O-N 3.33Å; E259-E261 PolarHBondContact O-N 2.92Å
260	E	33.6	Very low	32.5	Very low	129 Å²	129	154.6 Å²	154.6	60%	0.603	77%	0.769	S	S	*	*			trans	-82.2	95.1	163.5	-70.2	-167.1	140.5	0	0	109.1	E258 E262	E258-E260 PolarHBondContact O-N 2.83Å; E260-E262 PolarHBondContact O-N 3.06Å
261	E	31.7	Very low	32.5	Very low	177 Å²	177	156.3 Å²	156.3	83%	0.827	77%	0.772	S	S	*	*			trans	-66.7	126	172	-69	-170	128.3	0	0	111.2	E259 E263	E259-E261 PolarHBondContact O-N 2.92Å; E261-E263 PolarHBondContact O-N 3.48Å
262	E	32.3	Very low	32.3	Very low	186 Å²	186	153.5 Å²	153.5	87%	0.869	77%	0.772	S	S	*	*			trans	-82.2	91.2	175.4	-67.5	-170.9	137.1	0	0	110.8	E260 E264	E260-E262 PolarHBondContact O-N 3.06Å; E262-E264 PolarHBondContact O-N 3.01Å; E262-E264 VanDerWaalsContact O-N 3.16Å
263	E	31.9	Very low	32.4	Very low	177 Å²	177	153.9 Å²	153.9	83%	0.827	77%	0.774	S	S	*	*			trans	-68.5	100.8	161.9	-77.9	-79.4	178.5	0	0	109.6	E261 D265	E261-E263 PolarHBondContact O-N 3.48Å; E263-D265 PolarHBondContact O-N 3.2Å; E263-D265 VanDerWaalsContact O-N 3.16Å
264	E	34.4	Very low	32.4	Very low	180 Å²	180	157.8 Å²	157.8	84%	0.841	78%	0.784	S	S	*	*			trans	-71.9	98.9	173	-70	-165.8	124.4	0	0	110.8	E262 D266	E262-E264 PolarHBondContact O-N 3.01Å; E262-E264 VanDerWaalsContact O-N 3.16Å; E264-D266 PolarHBondContact O-N 2.61Å
265	D	31.6	Very low	32.4	Very low	156 Å²	156	159.2 Å²	159.2	83%	0.834	79%	0.787	S	S	*	*			trans	-58.1	102.9	171.2	-100.7	-38.6	0	0	0	110.6	E263 I267	E263-D265 PolarHBondContact O-N 3.2Å; E263-D265 VanDerWaalsContact O-N 3.16Å; D265-I267 PolarHBondContact O-N 2.93Å; D265-I267 VanDerWaalsContact O-N 3.08Å
266	D	30.3	Very low	32.3	Very low	133 Å²	133	161.9 Å²	161.9	71%	0.711	80%	0.795	S	S	*	*			trans	-64.4	98.8	-172	-173.5	16.6	0	0	0	113.8	E264 N268	E264-D266 PolarHBondContact O-N 2.61Å; D266-N268 PolarHBondContact O-N 2.81Å; D266-N268 PolarHBondContact O-ND2 2.86Å; D266-N268 PolarHBondContact OD2-ND2 3.18Å
267	I	34.8	Very low	32.1	Very low	140 Å²	140	163.6 Å²	163.6	72%	0.718	80%	0.803	S	S	*	*			trans	-78.4	91.2	178.8	-56.4	-177.1	0	0	0	110.5	D265 E269	D265-I267 PolarHBondContact O-N 2.93Å; D265-I267 VanDerWaalsContact O-N 3.08Å; I267-E269 HydrophobicContact CG2-CG 4Å; I267-E269 PolarHBondContact O-N 3.08Å
268	N	30.5	Very low	32	Very low	122 Å²	122	162.7 Å²	162.7	65%	0.652	80%	0.799	S	S	*	*			trans	-70	89.5	167.1	-81.7	-106.6	0	0	0	111	D266	D266-N268 PolarHBondContact O-N 2.81Å; D266-N268 PolarHBondContact O-ND2 2.86Å; D266-N268 PolarHBondContact OD2-ND2 3.18Å
269	E	32.3	Very low	31.9	Very low	179 Å²	179	165.8 Å²	165.8	84%	0.836	81%	0.814	S	S	*	*			trans	-100.1	67.2	163.9	-83.2	-167.6	166.2	0	0	111.6	I267 E271	I267-E269 HydrophobicContact CG2-CG 4Å; I267-E269 PolarHBondContact O-N 3.08Å; E269-E271 PolarHBondContact O-N 3.12Å
270	D	30.7	Very low	31.9	Very low	154 Å²	154	164.8 Å²	164.8	82%	0.824	81%	0.809	S	S	*	*			trans	-72.1	98.6	165.5	-100.4	-19	0	0	0	110.7
271	E	32.1	Very low	31.8	Very low	195 Å²	195	165 Å²	165	91%	0.911	81%	0.814	S	S	*	*			trans	177.3	98	136.2	-103.6	-170.9	-164.8	0	0	112	E269	E269-E271 PolarHBondContact O-N 3.12Å
272	A	32.2	Very low	31.8	Very low	105 Å²	105	164.1 Å²	164.1	87%	0.868	81%	0.81	S	S	*	*			trans	170.2	105.3	133.6	0	0	0	0	0	112.6
273	E	33.6	Very low	31.7	Very low	193 Å²	193	162.6 Å²	162.6	90%	0.902	80%	0.803	S	S	*	*			trans	-75	135.3	163	-56.3	170.3	147	0	0	110.5
274	E	32.5	Very low	31.5	Very low	202 Å²	202	162.3 Å²	162.3	94%	0.944	80%	0.802	S	S	*	*			trans	-144.8	142.3	135.3	-76.4	-157.4	152.5	0	0	108.5
275	E	32.6	Very low	31.3	Very low	190 Å²	190	160.4 Å²	160.4	89%	0.888	79%	0.793	S	S	*	*			trans	-90.1	157.5	-170.6	-54.5	169.1	132.1	0	0	112.6
276	E	31.9	Very low	31.1	Very low	188 Å²	188	158.1 Å²	158.1	88%	0.879	79%	0.785	S	S	*	*				-170.3	120.2	127.8	-107.3	175.4	-153.1	0	0	112.5
277	E	31.4	Very low	30.9	Very low	175 Å²	175	156.2 Å²	156.2	82%	0.818	79%	0.788	S	S	*	*			trans	12.4	151.4	138.3	-69	177.5	-166.2	0	0	121.4
278	E	29.3	Very low	30.6	Very low	157 Å²	157	153.6 Å²	153.6	73%	0.734	79%	0.787	S	S	*	*			cis	-174.7	170.3	-20.8	-146.7	172.8	-151.3	0	0	108.2
279	E	30.9	Very low	30.7	Very low	164 Å²	164	153.2 Å²	153.2	77%	0.766	79%	0.789	S	S	*	*			trans	58.6	163.2	163.9	-68.8	-170.4	176.9	0	0	119.8
280	E	29.6	Very low	30.6	Very low	158 Å²	158	152.9 Å²	152.9	74%	0.738	78%	0.784	S	S	*	*				-170.8	178.2	-51.7	-118	179	179.7	0	0	107.3
281	D	30.9	Very low	30.5	Very low	134 Å²	134	151.4 Å²	151.4	72%	0.717	78%	0.776	S	S	*	*			trans	62.2	155.5	159.4	-67.3	-0.5	0	0	0	122.6
282	E	31.3	Very low	30.5	Very low	158 Å²	158	151.1 Å²	151.1	74%	0.738	77%	0.767	S	S	*	*			cis	-168.6	175.9	-46.8	-127.4	-171.8	-178.2	0	0	109.3
283	E	29.9	Very low	30.4	Very low	155 Å²	155	152.5 Å²	152.5	72%	0.724	76%	0.756	S	S	*	*			trans	57.7	119.2	155	-77.5	-167.6	167.2	0	0	120
284	E	28.9	Very low	30.3	Very low	170 Å²	170	150 Å²	150	79%	0.794	74%	0.744	S	S	*	*				74.6	148.9	82.5	-80.8	-144.1	162.3	0	0	115.7
285	E	30	Very low	30.3	Very low	141 Å²	141	148.7 Å²	148.7	66%	0.659	73%	0.732	S	S	*	*			cis	-166.9	-166.9	-22.3	-160.4	-106.1	131.8	0	0	107.6
286	T	27.4	Very low	30.1	Very low	108 Å²	108	147.8 Å²	147.8	66%	0.663	73%	0.727	S	S	*	*			trans	94.9	119.1	155.2	75.3	0	0	0	0	120.8
287	A	26.7	Very low	30	Very low	93 Å²	93	149.2 Å²	149.2	77%	0.769	73%	0.726	S	S	*	*				75.6	142.7	126.2	0	0	0	0	0	122.1
288	A	28.3	Very low	30.1	Very low	84 Å²	84	145.5 Å²	145.5	69%	0.694	72%	0.717	S	S	*	*			cis	-170	144.2	-14.4	0	0	0	0	0	112.8
289	V	32	Very low	29.8	Very low	115 Å²	115	147.4 Å²	147.4	70%	0.697	72%	0.724	S	S	*	*			trans	59.5	121.4	136.3	174.5	0	0	0	0	119.1
290	K	30.8	Very low	29.7	Very low	172 Å²	172	148.3 Å²	148.3	75%	0.748	73%	0.728	S	S	*	*				-169.6	125.6	90.8	-153.5	138.7	-162.2	161.6	0	118
291	D	29.3	Very low	29.4	Very low	122 Å²	122	148.1 Å²	148.1	65%	0.652	73%	0.731	S	S	*	*			trans	26.7	140.4	148.9	-38.5	-15	0	0	0	120.3
292	R	30.6	Very low	29	Very low	189 Å²	189	145 Å²	145	71%	0.713	73%	0.73	S	S	*	*				178.3	126.1	63.7	170.1	173.6	168.9	64.3	27.3	114.4
293	E	31.4	Very low	29.4	Very low	135 Å²	135	143 Å²	143	63%	0.631	73%	0.731	S	S	*	*			trans	43.6	136.6	144.8	-70.5	156.7	-124.1	0	0	121.4
294	E	31.4	Very low	29.2	Very low	140 Å²	140	145.3 Å²	145.3	65%	0.654	74%	0.735	S	S	*	*			cis	-170.3	167.3	-1.9	-160.8	172.7	-174.5	0	0	110.8
295	Y	31.3	Very low	29	Very low	175 Å²	175	146.2 Å²	146.2	69%	0.686	74%	0.739	S	S	*	*			trans	75.8	90.1	169.7	-64.3	-71.6	0	0	0	121.8
296	E	28.6	Very low	28.8	Very low	170 Å²	170	144.9 Å²	144.9	79%	0.794	74%	0.74	S	S	*	*				46.8	131.6	100.5	-157.8	172.7	-133.8	0	0	119
297	Y	29.7	Very low	28.5	Very low	218 Å²	218	145.3 Å²	145.3	86%	0.855	75%	0.748	S	S	*	*			cis	-162.9	-167.8	-14.3	-144.4	-133.5	0	0	0	107.7
298	P	33.2	Very low	28.4	Very low	98 Å²	98	147.3 Å²	147.3	64%	0.636	75%	0.745	S	S	*	*				-120.4	158.7	-109.9	41.4	-25.6	0	0	0	117
299	F	23.9	Very low	28.2	Very low	197 Å²	197	153.4 Å²	153.4	86%	0.864	75%	0.752	S	S	*	*			trans	-161	122.8	143	-156.7	-92.9	0	0	0	108.3
300	E	27.5	Very low	27.8	Very low	182 Å²	182	154.7 Å²	154.7	85%	0.85	75%	0.754	S	S	*	*			trans	-91.2	148.2	-179.1	-70.8	-156.7	133.5	0	0	112.7
301	L	24.9	Very low	27.5	Very low	155 Å²	155	153.2 Å²	153.2	81%	0.812	75%	0.754	S	S	*	*			trans	-100.1	173.6	167.3	-68	76.6	0	0	0	108.4
302	G	22.9	Very low	27.3	Very low	68 Å²	68	151.4 Å²	151.4	70%	0.701	75%	0.751	S	S	*	*			trans	-69.4	-149	145.4	0	0	0	0	0	111.5
303	P	38.1	Very low	26.9	Very low	116 Å²	116	149.9 Å²	149.9	75%	0.753	75%	0.75	S	S	*	*			cis	-137	-174.3	-0.2	42.9	-25.4	0	0	0	114.1
304	Y	26.4	Very low	26.6	Very low	204 Å²	204	154.4 Å²	154.4	80%	0.8	76%	0.763	S	S	*	*			trans	14.8	135.6	145	-83.7	-103.9	0	0	0	120.1
305	Q	25.4	Very low	26.3	Very low	189 Å²	189	153.5 Å²	153.5	88%	0.883	76%	0.763	S	S	*	*				-166.6	168.4	85.9	-137.2	160.7	40	0	0	115.8
306	T	24.3	Very low	26	Very low	112 Å²	112	151.6 Å²	151.6	69%	0.687	76%	0.764	S	S	*	*			trans	-82.8	158.7	-168.3	-38.9	0	0	0	0	115.9
307	S	23	Very low	25.9	Very low	118 Å²	118	151.4 Å²	151.4	83%	0.825	76%	0.761	S	S	*	*			trans	-154.2	141.1	152.4	-161.9	0	0	0	0	112.6
308	D	24.1	Very low	25.6	Very low	134 Å²	134	144.9 Å²	144.9	72%	0.717	75%	0.747	S	S	*	*			trans	-93.9	156.9	-177.2	-43.7	-92.4	0	0	0	114
309	Y	22.9	Very low	25.4	Very low	213 Å²	213	148.9 Å²	148.9	84%	0.835	76%	0.757	S	S	*	*				-178.9	125.5	119.5	-116.9	-121.6	0	0	0	116.9
310	L	25.1	Very low	25.6	Very low	142 Å²	142	148.7 Å²	148.7	74%	0.743	76%	0.756	S	S	*	*			trans	72.7	93.1	130.4	-151.8	75.7	0	0	0	124.7
311	D	24.1	Very low	25.8	Very low	140 Å²	140	145.6 Å²	145.6	75%	0.749	75%	0.752	S	S	*	*				52.5	150.9	117.5	-160.9	32.2	0	0	0	125
312	S	24.5	Very low	25.7	Very low	84 Å²	84	145 Å²	145	59%	0.587	76%	0.755	S	S	*	*			trans	110.6	94.7	139.2	174.2	0	0	0	0	122.3
313	F	22.5	Very low	25.8	Very low	158 Å²	158	147.6 Å²	147.6	69%	0.693	76%	0.757	S	S	*	*			trans	61.2	130.8	136.1	-73.1	-79.3	0	0	0	123.9
314	Y	26	Very low	25.6	Very low	230 Å²	230	146.9 Å²	146.9	90%	0.902	75%	0.754	S	S	*	*				-155.4	167.6	97.6	-120.3	-88.1	0	0	0	113.1
315	N	24.9	Very low	25.6	Very low	121 Å²	121	141.7 Å²	141.7	65%	0.647	75%	0.754	S	S	*	*			trans	-124.3	160.4	-178.6	-84.1	-113.3	0	0	0	111.3
316	D	24.1	Very low	26.2	Very low	134 Å²	134	138.6 Å²	138.6	72%	0.717	75%	0.75	S	S	*	*			trans	-142.5	174.4	140.4	-145.5	-1.3	0	0	0	114.4
317	K	26.2	Very low	26.7	Very low	167 Å²	167	140.2 Å²	140.2	73%	0.726	75%	0.754	S	S	*	*			trans	-116.3	-176.5	-162.7	-40	135.8	-161.3	99.8	0	110.2
318	S	24.1	Very low	27.1	Very low	81 Å²	81	141.4 Å²	141.4	57%	0.566	76%	0.756	S	S	*	*			cis	-156.9	163.5	-3.2	17	0	0	0	0	107.3
319	H	28.7	Very low	27.8	Very low	181 Å²	181	144.8 Å²	144.8	84%	0.838	76%	0.758	S	S	*	*				-175.1	168.3	76.9	-86.7	-79.2	0	0	0	112.2
320	K	28	Very low	28	Very low	194 Å²	194	137.9 Å²	137.9	84%	0.843	75%	0.752	S	S	*	*			trans	-128.9	154.8	176.9	-127.2	172.9	-172.3	172.8	0	108.5
321	P	31	Very low	28.5	Very low	117 Å²	117	138.5 Å²	138.5	76%	0.76	76%	0.756	S	S	*	*				-153.6	160.9	89	39.9	-22.6	0	0	0	117
322	T	23	Very low	28.6	Very low	142 Å²	142	136.9 Å²	136.9	87%	0.871	76%	0.756	S	S	*	*			trans	-161.9	158.7	147.2	-77.9	0	0	0	0	108.3
323	T	26.5	Very low	28.9	Very low	123 Å²	123	142.1 Å²	142.1	76%	0.755	77%	0.769	S	S	*	*			trans	-110.5	131.7	-151.5	-62.4	0	0	0	0	115.1
324	S	32.4	Very low	29.1	Very low	100 Å²	100	140.9 Å²	140.9	70%	0.699	77%	0.774	S	S	*	*			trans	30.7	114	160.3	68.2	0	0	0	0	122
325	A	26.9	Very low	29.4	Very low	95 Å²	95	136.3 Å²	136.3	79%	0.785	77%	0.77	S	S	*	*				45.8	147.9	108.2	0	0	0	0	0	121
326	P	39	Very low	30.1	Very low	125 Å²	125	136.3 Å²	136.3	81%	0.812	78%	0.775	S	S	*	*			cis	-137.8	162.8	29.7	41.4	-23.5	0	0	0	119.5
327	L	34.4	Very low	31	Very low	145 Å²	145	140.5 Å²	140.5	76%	0.759	78%	0.781	S	S	*	*			trans	-38.6	137.5	168.7	-169.6	82.3	0	0	0	117.1
328	V	31.7	Very low	32.2	Very low	143 Å²	143	134.4 Å²	134.4	87%	0.867	76%	0.758	S	S	*	*			trans	-121.4	138.3	142.9	176	0	0	0	0	107.7
329	R	37.4	Very low	33.8	Very low	205 Å²	205	137.4 Å²	137.4	77%	0.774	77%	0.773	S	S	*	*			trans	-98.2	123	178	-179.9	-174.7	-63.5	166.4	-0.8	109.4
330	G	27.9	Very low	35.6	Very low	68 Å²	68	130.7 Å²	130.7	70%	0.701	74%	0.744	S	S	*	*			trans	-131.8	135.3	162.1	0	0	0	0	0	108.1	S332	G330-S332 PolarHBondContact O-N 3.22Å
331	D	35.7	Very low	37.7	Very low	155 Å²	155	122.6 Å²	122.6	83%	0.829	72%	0.715	S	S	*	*			trans	-76.2	104.8	-178.7	-59.1	-50.1	0	0	0	109.2
332	S	26.5	Very low	40	Very low	107 Å²	107	117.3 Å²	117.3	75%	0.748	68%	0.68	S	S	*	*			trans	-87.7	136.9	164.3	-171	0	0	0	0	108.6	G330 T334	G330-S332 PolarHBondContact O-N 3.22Å; S332-T334 PolarHBondContact O-N 3.47Å
333	F	29.9	Very low	42.8	Very low	194 Å²	194	113.9 Å²	113.9	85%	0.851	66%	0.657	S	S	*	*			trans	-56.3	133	161.9	-75.9	-103.7	0	0	0	108.1	T335	F333-T335 PolarHBondContact O-N 2.83Å; F333-T335 VanDerWaalsContact O-N 3.15Å
334	T	27.1	Very low	45.7	Very low	132 Å²	132	111.9 Å²	111.9	81%	0.81	64%	0.644	S	S	*	*			trans	-75.2	99.8	170.5	47.9	0	0	0	0	107.8	S332 T336	S332-T334 PolarHBondContact O-N 3.47Å; T334-T336 PolarHBondContact O-N 2.88Å; T334-T336 VanDerWaalsContact O-N 3.15Å
335	T	31.3	Very low	48.5	Very low	134 Å²	134	107.4 Å²	107.4	82%	0.822	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-50.2	122	156.8	-53	0	0	0	0	106.9	F333 R337	F333-T335 PolarHBondContact O-N 2.83Å; F333-T335 VanDerWaalsContact O-N 3.15Å; T335-R337 PolarHBondContact O-N 3.08Å
336	T	40	Very low	51.5	Low	121 Å²	121	104.9 Å²	104.9	74%	0.742	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-59.4	127.7	173.2	34.4	0	0	0	0	108.2	T334	T334-T336 PolarHBondContact O-N 2.88Å; T334-T336 VanDerWaalsContact O-N 3.15Å
337	R	44.2	Very low	53.9	Low	222 Å²	222	105.9 Å²	105.9	84%	0.838	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-50.8	134.1	170.6	-172.2	-176.7	-166.5	-173.5	2	108.3	T335 T339	T335-R337 PolarHBondContact O-N 3.08Å; R337-T339 PolarHBondContact O-N 3.27Å; R337-T339 VanDerWaalsContact O-N 3.14Å
338	P	49.8	Very low	56.3	Low	38 Å²	38	102 Å²	102	25%	0.247	55%	0.554	C	S	.	*	P	Polyproline II helix	trans	-52.7	122.9	-178.9	-29.2	35.6	0	0	0	111.5	D343 V344 E347	P338-D343 HydrophobicContact CB-CB 3.94Å; P338-D343 HydrophobicContact CG-CB 4.44Å; P338-V344 HydrophobicContact CB-CG2 4.13Å; P338-E347 HydrophobicContact CG-CG 4.46Å; P338-E347 WeakPolarHBondContact CG-OE1 3.4Å
339	T	57.9	Low	58.8	Low	144 Å²	144	99.9 Å²	99.9	88%	0.883	54%	0.543	S	S	*	.			trans	-110.7	11.9	171.8	50.9	0	0	0	0	111.3	R337	R337-T339 PolarHBondContact O-N 3.27Å; R337-T339 VanDerWaalsContact O-N 3.14Å
340	D	66.3	Low	61.1	Low	41 Å²	41	93.6 Å²	93.6	22%	0.219	53%	0.528	C	S	.	.	S	Bend	trans	-121.7	126.7	-172.1	-171.7	-53.6	0	0	0	108.4	V342 D343 V344 R368	D340-V342 PolarHBondContact O-N 3.39Å; D340-V342 WeakPolarHBondContact OD1-CB 3.18Å; D340-V342 PolarHBondContact OD1-N 3.08Å; D340-D343 HydrophobicContact CB-CB 4.21Å; D340-D343 PolarHBondContact O-N 3.27Å; D340-V344 WeakPolarHBondContact O-CG2 3.38Å; D340-V344 PolarHBondContact O-N 3.43Å; D340-R368 VanDerWaalsContact CG-NH1 3.26Å; D340-R368 VanDerWaalsContact CG-NH2 3.32Å; D340-R368 IonicContact OD1-CZ 2.97Å; D340-R368 IonicContact OD1-NH1 2.91Å; D340-R368 PolarHBondContact OD1-NH1 3.5Å; D340-R368 IonicContact OD1-NH2 3.77Å; D340-R368 PolarHBondContact OD1-NH2 2.88Å; D340-R368 IonicContact OD2-CZ 3.2Å; D340-R368 IonicContact OD2-NH1 3.36Å; D340-R368 PolarHBondContact OD2-NH1 3.32Å; D340-R368 IonicContact OD2-NH2 2.94Å; D340-R368 PolarHBondContact OD2-NH2 2.87Å
341	G	71.7	Confident	63.7	Low	23 Å²	23	92.7 Å²	92.7	24%	0.237	51%	0.507	C	S	.	.	H	α-helix	trans	-63	-28	-177	0	0	0	0	0	114	V344 Y345 D364	G341-V344 PolarHBondContact O-N 2.9Å; G341-Y345 PolarHBondContact O-N 3.03Å; G341-D364 WeakPolarHBondContact CA-OD2 3.5Å
342	V	79.3	Confident	65.8	Low	6 Å²	6	91.9 Å²	91.9	4%	0.036	50%	0.502	C	S	.	.	H	α-helix	trans	-74.5	-38.5	177.5	178.9	0	0	0	0	110.4	D340 Y345 F346 D364 L365 L420	D340-V342 PolarHBondContact O-N 3.39Å; D340-V342 WeakPolarHBondContact OD1-CB 3.18Å; D340-V342 PolarHBondContact OD1-N 3.08Å; V342-Y345 WeakPolarHBondContact O-CB 3.42Å; V342-Y345 PolarHBondContact O-N 3.23Å; V342-F346 HydrophobicContact CG1-CD2 4.29Å; V342-F346 HydrophobicContact CG1-CE2 3.61Å; V342-F346 HydrophobicContact CG1-CZ 4.16Å; V342-F346 WeakPolarHBondContact O-CD2 2.96Å; V342-F346 PolarHBondContact O-N 2.85Å; V342-D364 HydrophobicContact CG2-CB 4.48Å; V342-L365 HydrophobicContact CG2-CB 3.99Å; V342-L420 HydrophobicContact CG1-CD1 4.47Å
343	D	83.6	Confident	68.8	Low	71 Å²	71	90.3 Å²	90.3	38%	0.38	49%	0.488	S	S	.	.	H	α-helix	trans	-67.3	-36.6	170.5	-78	-28.8	0	0	0	112	P338 D340 Y345 F346 E347	P338-D343 HydrophobicContact CB-CB 3.94Å; P338-D343 HydrophobicContact CG-CB 4.44Å; D340-D343 HydrophobicContact CB-CB 4.21Å; D340-D343 PolarHBondContact O-N 3.27Å; D343-Y345 VanDerWaalsContact C-N 3.32Å; D343-Y345 PolarHBondContact O-N 2.86Å; D343-F346 PolarHBondContact O-N 2.87Å; D343-E347 PolarHBondContact O-N 2.95Å
344	V	86.5	Confident	71.7	Confident	80 Å²	80	81.2 Å²	81.2	49%	0.485	45%	0.448	S	S	.	.	H	α-helix	trans	-61.9	-39.8	173.4	170.8	0	0	0	0	111.2	P338 D340 G341 F346 E347 K348	P338-V344 HydrophobicContact CB-CG2 4.13Å; D340-V344 WeakPolarHBondContact O-CG2 3.38Å; D340-V344 PolarHBondContact O-N 3.43Å; G341-V344 PolarHBondContact O-N 2.9Å; V344-F346 VanDerWaalsContact C-N 3.35Å; V344-F346 PolarHBondContact O-N 3.07Å; V344-E347 PolarHBondContact O-N 3.4Å; V344-K348 PolarHBondContact O-N 2.8Å
345	Y	90.6	Very high	74.6	Confident	7 Å²	7	79.4 Å²	79.4	3%	0.027	43%	0.431	C	S	.	.	H	α-helix	trans	-59.5	-43.5	172.6	166.1	-89.7	0	0	0	111.9	G341 V342 D343 K348 E354 N357 F358 A361 L420 T423 H424 R427	G341-Y345 PolarHBondContact O-N 3.03Å; V342-Y345 WeakPolarHBondContact O-CB 3.42Å; V342-Y345 PolarHBondContact O-N 3.23Å; D343-Y345 VanDerWaalsContact C-N 3.32Å; D343-Y345 PolarHBondContact O-N 2.86Å; Y345-K348 PolarHBondContact O-N 2.95Å; Y345-E354 VanDerWaalsContact CE2-OE1 3.26Å; Y345-E354 WeakPolarHBondContact CE2-OE1 3.21Å; Y345-E354 VanDerWaalsContact CZ-OE1 3.32Å; Y345-E354 PolarHBondContact OH-OE1 3.42Å; Y345-N357 HydrophobicContact CD2-CB 4Å; Y345-N357 HydrophobicContact CE2-CB 4.35Å; Y345-F358 HydrophobicContact CE2-CB 4.03Å; Y345-A361 HydrophobicContact CD1-CB 4.47Å; Y345-A361 HydrophobicContact CD2-CB 4.15Å; Y345-A361 HydrophobicContact CG-CB 3.86Å; Y345-L420 HydrophobicContact CD1-CD1 3.36Å; Y345-L420 HydrophobicContact CE1-CD1 3.47Å; Y345-L420 VanDerWaalsContact CE1-CD1 3.47Å; Y345-L420 HydrophobicContact CG-CD1 4Å; Y345-T423 HydrophobicContact CE1-CG2 3.88Å; Y345-H424 VanDerWaalsContact OH-CA 3.26Å; Y345-H424 WeakPolarHBondContact OH-CA 3.36Å; Y345-H424 PolarHBondContact OH-N 3.37Å; Y345-R427 VanDerWaalsContact CE2-NH1 3.26Å; Y345-R427 VanDerWaalsContact CZ-NH1 3.33Å; Y345-R427 PolarHBondContact O-NH1 2.81Å; Y345-R427 VanDerWaalsContact O-NH1 3.16Å; Y345-R427 PolarHBondContact O-NH2 2.94Å
346	F	91.5	Very high	77.4	Confident	42 Å²	42	75.7 Å²	75.7	18%	0.184	41%	0.414	C	S	.	.	H	α-helix	trans	-67	-34.9	177.8	-66.2	-51.6	0	0	0	113.5	V342 D343 V344 R419 L420 T423 R427	V342-F346 HydrophobicContact CG1-CD2 4.29Å; V342-F346 HydrophobicContact CG1-CE2 3.61Å; V342-F346 HydrophobicContact CG1-CZ 4.16Å; V342-F346 WeakPolarHBondContact O-CD2 2.96Å; V342-F346 PolarHBondContact O-N 2.85Å; D343-F346 PolarHBondContact O-N 2.87Å; V344-F346 VanDerWaalsContact C-N 3.35Å; V344-F346 PolarHBondContact O-N 3.07Å; F346-R419 HydrophobicContact CE1-CG 4.22Å; F346-R419 HydrophobicContact CZ-CG 3.81Å; F346-L420 HydrophobicContact CZ-CD1 4.45Å; F346-T423 HydrophobicContact CD1-CG2 4.08Å; F346-T423 HydrophobicContact CE1-CG2 4.17Å; F346-T423 WeakPolarHBondContact CE1-OG1 3.15Å; F346-R427 PolarHBondContact O-NH2 2.7Å
347	E	88.1	Confident	79.8	Confident	146 Å²	146	71.1 Å²	71.1	68%	0.682	38%	0.384	S	S	*	.	H	α-helix	trans	-79.4	-21.3	175.5	-72.6	-163.8	173.9	0	0	114.1	P338 D343 V344	P338-E347 HydrophobicContact CG-CG 4.46Å; P338-E347 WeakPolarHBondContact CG-OE1 3.4Å; D343-E347 PolarHBondContact O-N 2.95Å; V344-E347 PolarHBondContact O-N 3.4Å
348	K	86.2	Confident	82.1	Confident	64 Å²	64	61.8 Å²	61.8	28%	0.278	35%	0.35	S	S	.	.	S	Bend	trans	-64.5	132.7	179	-158.5	-169	-171.6	-149.9	0	110.3	V344 Y345 D351 T353 N357 R427	V344-K348 PolarHBondContact O-N 2.8Å; Y345-K348 PolarHBondContact O-N 2.95Å; K348-D351 WeakPolarHBondContact CE-OD2 3.33Å; K348-D351 IonicContact NZ-OD1 3.06Å; K348-D351 PolarHBondContact NZ-OD1 3.09Å; K348-D351 IonicContact NZ-OD2 3.51Å; K348-D351 PolarHBondContact NZ-OD2 3.42Å; K348-T353 PolarHBondContact NZ-OG1 3.06Å; K348-N357 HydrophobicContact CD-CB 4.41Å; K348-N357 PolarHBondContact NZ-ND2 2.92Å; K348-N357 PolarHBondContact NZ-OD1 2.83Å; K348-R427 PolarHBondContact O-NH2 2.88Å
349	P	84.3	Confident	83.9	Confident	97 Å²	97	62.8 Å²	62.8	63%	0.63	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-63.3	154.6	170.7	28.5	-36.5	0	0	0	111.2	D351	P349-D351 PolarHBondContact O-N 3.46Å
350	V	85.8	Confident	85.4	Confident	74 Å²	74	63.5 Å²	63.5	45%	0.448	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-65.4	126	174.5	-170.4	0	0	0	0	109.4	R427 I431	V350-R427 HydrophobicContact CG1-CB 4.33Å; V350-R427 HydrophobicContact CG2-CB 4.47Å; V350-R427 HydrophobicContact CG2-CG 3.83Å; V350-I431 HydrophobicContact CG1-CD1 3.7Å; V350-I431 HydrophobicContact CG1-CG1 3.65Å
351	D	81.8	Confident	86.6	Confident	49 Å²	49	61.7 Å²	61.7	26%	0.262	33%	0.33	S	S	.	.			trans	-144.2	170.6	176.8	63.7	40.6	0	0	0	110.5	K348 P349 T353 E354 N357	K348-D351 WeakPolarHBondContact CE-OD2 3.33Å; K348-D351 IonicContact NZ-OD1 3.06Å; K348-D351 PolarHBondContact NZ-OD1 3.09Å; K348-D351 IonicContact NZ-OD2 3.51Å; K348-D351 PolarHBondContact NZ-OD2 3.42Å; P349-D351 PolarHBondContact O-N 3.46Å; D351-T353 PolarHBondContact O-N 3.27Å; D351-T353 WeakPolarHBondContact OD1-CA 3.3Å; D351-T353 WeakPolarHBondContact OD1-CB 3.41Å; D351-T353 PolarHBondContact OD1-N 2.85Å; D351-T353 PolarHBondContact OD1-OG1 3.08Å; D351-E354 VanDerWaalsContact O-CB 3.28Å; D351-E354 WeakPolarHBondContact O-CB 3.38Å; D351-E354 PolarHBondContact O-N 3.11Å; D351-E354 PolarHBondContact OD1-N 3.45Å; D351-N357 PolarHBondContact OD1-ND2 3.46Å
352	D	79.3	Confident	87.4	Confident	137 Å²	137	62.9 Å²	62.9	73%	0.733	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-8.9	-176.9	-56.3	-64.6	0	0	0	113.8
353	T	89.1	Confident	87.6	Confident	75 Å²	75	66.2 Å²	66.2	46%	0.46	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	5.6	175	72.9	0	0	0	0	113.1	K348 D351 H355 A356 N357	K348-T353 PolarHBondContact NZ-OG1 3.06Å; D351-T353 PolarHBondContact O-N 3.27Å; D351-T353 WeakPolarHBondContact OD1-CA 3.3Å; D351-T353 WeakPolarHBondContact OD1-CB 3.41Å; D351-T353 PolarHBondContact OD1-N 2.85Å; D351-T353 PolarHBondContact OD1-OG1 3.08Å; T353-H355 PolarHBondContact O-N 3.44Å; T353-A356 PolarHBondContact O-N 3.44Å; T353-N357 PolarHBondContact O-N 3.41Å; T353-N357 VanDerWaalsContact O-N 3.07Å; T353-N357 PolarHBondContact O-ND2 2.92Å; T353-N357 PolarHBondContact OG1-ND2 2.67Å
354	E	90.9	Very high	87.8	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.009	34%	0.344	C	S	.	.	H	α-helix	trans	-43.2	-42.6	-176.4	170.3	52.8	-154	0	0	114.3	Y345 D351 N357 F358 H424 R427 V428 I431	Y345-E354 VanDerWaalsContact CE2-OE1 3.26Å; Y345-E354 WeakPolarHBondContact CE2-OE1 3.21Å; Y345-E354 VanDerWaalsContact CZ-OE1 3.32Å; Y345-E354 PolarHBondContact OH-OE1 3.42Å; D351-E354 VanDerWaalsContact O-CB 3.28Å; D351-E354 WeakPolarHBondContact O-CB 3.38Å; D351-E354 PolarHBondContact O-N 3.11Å; D351-E354 PolarHBondContact OD1-N 3.45Å; E354-N357 WeakPolarHBondContact CA-ND2 3.49Å; E354-N357 PolarHBondContact N-ND2 3.41Å; E354-N357 WeakPolarHBondContact O-CB 3.35Å; E354-N357 PolarHBondContact O-N 2.8Å; E354-F358 PolarHBondContact O-N 2.91Å; E354-H424 IonicContact OE1-CE1 2.66Å; E354-H424 IonicContact OE1-CG 2.85Å; E354-H424 IonicContact OE1-ND1 2.66Å; E354-H424 PolarHBondContact OE1-ND1 3.18Å; E354-R427 HydrophobicContact CG-CB 3.95Å; E354-R427 WeakPolarHBondContact OE1-CD 3.28Å; E354-R427 IonicContact OE1-NH1 2.8Å; E354-R427 WeakPolarHBondContact OE2-CD 3.44Å; E354-R427 IonicContact OE2-CZ 3.39Å; E354-R427 IonicContact OE2-NE 3.9Å; E354-R427 IonicContact OE2-NH1 3.92Å; E354-R427 PolarHBondContact OE2-NH1 3.36Å; E354-V428 HydrophobicContact CG-CG2 4.43Å; E354-I431 HydrophobicContact CB-CD1 3.54Å; E354-I431 HydrophobicContact CG-CD1 3.88Å
355	H	89.3	Confident	87.9	Confident	95 Å²	95	61.8 Å²	61.8	44%	0.44	32%	0.323	S	S	.	.	H	α-helix	trans	-64.7	-46.1	178.3	-174.3	67.2	0	0	0	112.9	T353 N357 F358 L359 H424	T353-H355 PolarHBondContact O-N 3.44Å; H355-N357 PolarHBondContact O-N 2.87Å; H355-F358 WeakPolarHBondContact O-CB 3.38Å; H355-F358 PolarHBondContact O-N 3.16Å; H355-F358 VanDerWaalsContact O-N 3.11Å; H355-L359 WeakPolarHBondContact O-CG 3.34Å; H355-L359 PolarHBondContact O-N 3.38Å; H355-H424 AromaticContact ND1-NE2 3.65Å
356	A	89.5	Confident	87.5	Confident	56 Å²	56	65.2 Å²	65.2	46%	0.463	34%	0.339	S	S	.	.	H	α-helix	trans	-65.4	-25.8	173.9	0	0	0	0	0	113.1	T353 R360	T353-A356 PolarHBondContact O-N 3.44Å; A356-R360 PolarHBondContact O-N 3.38Å
357	N	90.8	Very high	87.2	Confident	24 Å²	24	69.8 Å²	69.8	13%	0.128	36%	0.361	C	S	.	.	H	α-helix	trans	-74.1	-38.9	171.6	-55.1	-59	0	0	0	111.7	Y345 K348 D351 T353 E354 H355 A361	Y345-N357 HydrophobicContact CD2-CB 4Å; Y345-N357 HydrophobicContact CE2-CB 4.35Å; K348-N357 HydrophobicContact CD-CB 4.41Å; K348-N357 PolarHBondContact NZ-ND2 2.92Å; K348-N357 PolarHBondContact NZ-OD1 2.83Å; D351-N357 PolarHBondContact OD1-ND2 3.46Å; T353-N357 PolarHBondContact O-N 3.41Å; T353-N357 VanDerWaalsContact O-N 3.07Å; T353-N357 PolarHBondContact O-ND2 2.92Å; T353-N357 PolarHBondContact OG1-ND2 2.67Å; E354-N357 WeakPolarHBondContact CA-ND2 3.49Å; E354-N357 PolarHBondContact N-ND2 3.41Å; E354-N357 WeakPolarHBondContact O-CB 3.35Å; E354-N357 PolarHBondContact O-N 2.8Å; H355-N357 PolarHBondContact O-N 2.87Å; N357-A361 PolarHBondContact O-N 3.16Å; N357-A361 VanDerWaalsContact O-N 3.11Å
358	F	91.9	Very high	87.1	Confident	26 Å²	26	64.6 Å²	64.6	11%	0.114	34%	0.335	C	S	.	.	H	α-helix	trans	-66.7	-46.8	175.8	165	-102.6	0	0	0	111.8	Y345 E354 H355 R360 A361 K362 L420 V421 H424	Y345-F358 HydrophobicContact CE2-CB 4.03Å; E354-F358 PolarHBondContact O-N 2.91Å; H355-F358 WeakPolarHBondContact O-CB 3.38Å; H355-F358 PolarHBondContact O-N 3.16Å; H355-F358 VanDerWaalsContact O-N 3.11Å; F358-R360 VanDerWaalsContact C-N 3.31Å; F358-R360 PolarHBondContact O-N 2.86Å; F358-A361 CarbonylContact O-C 3.58Å; F358-A361 WeakPolarHBondContact O-CA 3.33Å; F358-A361 WeakPolarHBondContact O-CB 3.26Å; F358-A361 PolarHBondContact O-N 3.34Å; F358-K362 PolarHBondContact O-N 2.99Å; F358-L420 HydrophobicContact CD2-CD1 4.37Å; F358-L420 HydrophobicContact CD2-CD2 4.28Å; F358-L420 HydrophobicContact CD2-CG 3.92Å; F358-L420 HydrophobicContact CE2-CD2 4.12Å; F358-L420 HydrophobicContact CE2-CG 3.88Å; F358-V421 HydrophobicContact CE2-CG2 4.07Å; F358-V421 HydrophobicContact CZ-CG2 4.11Å; F358-H424 HydrophobicContact CB-CB 4.34Å; F358-H424 WeakPolarHBondContact CB-ND1 3.38Å; F358-H424 AromaticContact CD1-CD2 3.5Å; F358-H424 AromaticContact CD1-CG 3.94Å; F358-H424 AromaticContact CD1-NE2 3.64Å; F358-H424 HydrophobicContact CD2-CB 3.46Å; F358-H424 VanDerWaalsContact CD2-CB 3.46Å; F358-H424 AromaticContact CD2-CD2 3.86Å; F358-H424 AromaticContact CD2-CG 3.54Å; F358-H424 AromaticContact CE1-CD2 3.82Å; F358-H424 HydrophobicContact CE2-CB 3.87Å; F358-H424 HydrophobicContact CG-CB 3.92Å; F358-H424 AromaticContact CG-CD2 3.52Å; F358-H424 AromaticContact CG-CE1 3.93Å; F358-H424 AromaticContact CG-CG 3.43Å; F358-H424 VanDerWaalsContact CG-CG 3.43Å; F358-H424 AromaticContact CG-ND1 3.69Å; F358-H424 AromaticContact CG-NE2 3.85Å
359	L	88.6	Confident	87	Confident	60 Å²	60	66.4 Å²	66.4	31%	0.314	34%	0.34	S	S	.	.	H	α-helix	trans	-56.8	-44.8	176.4	-70.8	176.5	0	0	0	111.4	H355 A361 K362 T363	H355-L359 WeakPolarHBondContact O-CG 3.34Å; H355-L359 PolarHBondContact O-N 3.38Å; L359-A361 VanDerWaalsContact C-N 3.31Å; L359-A361 PolarHBondContact O-N 3.06Å; L359-K362 WeakPolarHBondContact O-CB 3.44Å; L359-K362 PolarHBondContact O-N 2.79Å; L359-K362 VanDerWaalsContact O-N 3.17Å; L359-T363 PolarHBondContact O-N 3.42Å; L359-T363 PolarHBondContact O-OG1 3.2Å
360	R	89.1	Confident	86.9	Confident	159 Å²	159	66.6 Å²	66.6	60%	0.6	33%	0.334	S	S	*	.	H	α-helix	trans	-61	-38.5	173.8	-170.6	177.8	-58.1	167.4	6.1	112.8	A356 F358 T363 D364	A356-R360 PolarHBondContact O-N 3.38Å; F358-R360 VanDerWaalsContact C-N 3.31Å; F358-R360 PolarHBondContact O-N 2.86Å; R360-T363 WeakPolarHBondContact CA-OG1 3.3Å; R360-T363 PolarHBondContact O-OG1 3.41Å; R360-D364 VanDerWaalsContact O-CB 3.26Å; R360-D364 WeakPolarHBondContact O-CB 3.21Å; R360-D364 PolarHBondContact O-N 3.29Å
361	A	90.9	Very high	86.9	Confident	2 Å²	2	68.6 Å²	68.6	2%	0.017	34%	0.336	C	S	.	.	H	α-helix	trans	-71.4	-31.2	176.4	0	0	0	0	0	112.8	Y345 N357 F358 L359 L365 L420	Y345-A361 HydrophobicContact CD1-CB 4.47Å; Y345-A361 HydrophobicContact CD2-CB 4.15Å; Y345-A361 HydrophobicContact CG-CB 3.86Å; N357-A361 PolarHBondContact O-N 3.16Å; N357-A361 VanDerWaalsContact O-N 3.11Å; F358-A361 CarbonylContact O-C 3.58Å; F358-A361 WeakPolarHBondContact O-CA 3.33Å; F358-A361 WeakPolarHBondContact O-CB 3.26Å; F358-A361 PolarHBondContact O-N 3.34Å; L359-A361 VanDerWaalsContact C-N 3.31Å; L359-A361 PolarHBondContact O-N 3.06Å; A361-L365 VanDerWaalsContact O-CB 3.3Å; A361-L365 WeakPolarHBondContact O-CB 3.38Å; A361-L365 PolarHBondContact O-N 2.94Å; A361-L365 VanDerWaalsContact O-N 3.15Å; A361-L420 HydrophobicContact CB-CD1 3.61Å; A361-L420 HydrophobicContact CB-CD2 3.93Å; A361-L420 HydrophobicContact CB-CG 4.41Å
362	K	88.1	Confident	87.1	Confident	48 Å²	48	70 Å²	70	21%	0.209	34%	0.338	C	S	.	.	H	α-helix	trans	-61.7	-52.9	170.3	-177.4	-177.4	179	-174	0	109.3	E258 F358 L359 D364 L365 E366	E258-K362 IonicContact OE2-NZ 2.77Å; E258-K362 PolarHBondContact OE2-NZ 2.72Å; F358-K362 PolarHBondContact O-N 2.99Å; L359-K362 WeakPolarHBondContact O-CB 3.44Å; L359-K362 PolarHBondContact O-N 2.79Å; L359-K362 VanDerWaalsContact O-N 3.17Å; K362-D364 PolarHBondContact O-N 3.21Å; K362-L365 WeakPolarHBondContact O-CB 3.47Å; K362-L365 PolarHBondContact O-N 3.17Å; K362-E366 WeakPolarHBondContact CE-OE1 3.48Å; K362-E366 WeakPolarHBondContact CG-OE1 3.07Å; K362-E366 WeakPolarHBondContact O-CG 3.26Å; K362-E366 PolarHBondContact O-N 2.96Å
363	T	84.9	Confident	87.3	Confident	76 Å²	76	64.9 Å²	64.9	47%	0.466	31%	0.31	S	S	.	.	H	α-helix	trans	-63.4	-41.9	178.1	58	0	0	0	0	113.4	L359 R360 L365 E366 E367	L359-T363 PolarHBondContact O-N 3.42Å; L359-T363 PolarHBondContact O-OG1 3.2Å; R360-T363 WeakPolarHBondContact CA-OG1 3.3Å; R360-T363 PolarHBondContact O-OG1 3.41Å; T363-L365 PolarHBondContact O-N 3.04Å; T363-E366 PolarHBondContact O-N 3.33Å; T363-E367 PolarHBondContact O-N 3.26Å
364	D	87.1	Confident	87.1	Confident	52 Å²	52	65.9 Å²	65.9	28%	0.278	31%	0.313	S	S	.	.	H	α-helix	trans	-67.5	-20.4	178.9	-73.4	3.1	0	0	0	113	G341 V342 R360 K362 R368	G341-D364 WeakPolarHBondContact CA-OD2 3.5Å; V342-D364 HydrophobicContact CG2-CB 4.48Å; R360-D364 VanDerWaalsContact O-CB 3.26Å; R360-D364 WeakPolarHBondContact O-CB 3.21Å; R360-D364 PolarHBondContact O-N 3.29Å; K362-D364 PolarHBondContact O-N 3.21Å; D364-R368 WeakPolarHBondContact O-CB 3.46Å; D364-R368 PolarHBondContact O-NE 3.49Å; D364-R368 VanDerWaalsContact O-NE 3.09Å; D364-R368 PolarHBondContact O-NH2 2.96Å
365	L	87.6	Confident	87.1	Confident	6 Å²	6	70.7 Å²	70.7	3%	0.031	34%	0.335	C	S	.	.	H	α-helix	trans	-85.4	-39.9	171.9	-180	59.9	0	0	0	111.5	V342 A361 K362 T363 R368 R369 E416 R417	V342-L365 HydrophobicContact CG2-CB 3.99Å; A361-L365 VanDerWaalsContact O-CB 3.3Å; A361-L365 WeakPolarHBondContact O-CB 3.38Å; A361-L365 PolarHBondContact O-N 2.94Å; A361-L365 VanDerWaalsContact O-N 3.15Å; K362-L365 WeakPolarHBondContact O-CB 3.47Å; K362-L365 PolarHBondContact O-N 3.17Å; T363-L365 PolarHBondContact O-N 3.04Å; L365-R368 WeakPolarHBondContact O-CB 3.47Å; L365-R368 PolarHBondContact O-N 3.33Å; L365-R369 PolarHBondContact O-N 3.48Å; L365-E416 HydrophobicContact CD1-CB 3.74Å; L365-E416 VanDerWaalsContact CD1-OE2 3.23Å; L365-E416 WeakPolarHBondContact CD1-OE2 3.46Å; L365-E416 HydrophobicContact CD2-CB 4.01Å; L365-R417 HydrophobicContact CD2-CB 4.17Å
366	E	83.1	Confident	87.1	Confident	80 Å²	80	67.3 Å²	67.3	37%	0.374	32%	0.32	S	S	.	.	H	α-helix	trans	-72.2	-42.5	-178.9	-74.2	163.7	-176.8	0	0	112.7	K362 T363 R368 R369 M370	K362-E366 WeakPolarHBondContact CE-OE1 3.48Å; K362-E366 WeakPolarHBondContact CG-OE1 3.07Å; K362-E366 WeakPolarHBondContact O-CG 3.26Å; K362-E366 PolarHBondContact O-N 2.96Å; T363-E366 PolarHBondContact O-N 3.33Å; E366-R368 PolarHBondContact O-N 2.76Å; E366-R369 WeakPolarHBondContact O-CB 3.34Å; E366-R369 PolarHBondContact O-N 3.4Å; E366-M370 WeakPolarHBondContact O-CB 3.32Å; E366-M370 PolarHBondContact O-N 3.14Å
367	E	84.4	Confident	86.7	Confident	137 Å²	137	68.7 Å²	68.7	64%	0.64	32%	0.318	S	S	*	.	H	α-helix	trans	-57.4	-41.3	172.8	-165.2	-148.9	141.8	0	0	110.4	T363 M370 K371	T363-E367 PolarHBondContact O-N 3.26Å; E367-M370 PolarHBondContact O-N 3.2Å; E367-K371 VanDerWaalsContact O-CB 3.25Å; E367-K371 WeakPolarHBondContact O-CB 3.43Å; E367-K371 PolarHBondContact O-N 3.26Å
368	R	85.7	Confident	86.7	Confident	37 Å²	37	73.7 Å²	73.7	14%	0.14	34%	0.339	C	S	.	.	H	α-helix	trans	-69.2	-41.2	178.5	176.8	-160.6	-38.8	-164.5	-11.3	112.8	D340 D364 L365 E366 K371 R372 E416	D340-R368 VanDerWaalsContact CG-NH1 3.26Å; D340-R368 VanDerWaalsContact CG-NH2 3.32Å; D340-R368 IonicContact OD1-CZ 2.97Å; D340-R368 IonicContact OD1-NH1 2.91Å; D340-R368 PolarHBondContact OD1-NH1 3.5Å; D340-R368 IonicContact OD1-NH2 3.77Å; D340-R368 PolarHBondContact OD1-NH2 2.88Å; D340-R368 IonicContact OD2-CZ 3.2Å; D340-R368 IonicContact OD2-NH1 3.36Å; D340-R368 PolarHBondContact OD2-NH1 3.32Å; D340-R368 IonicContact OD2-NH2 2.94Å; D340-R368 PolarHBondContact OD2-NH2 2.87Å; D364-R368 WeakPolarHBondContact O-CB 3.46Å; D364-R368 PolarHBondContact O-NE 3.49Å; D364-R368 VanDerWaalsContact O-NE 3.09Å; D364-R368 PolarHBondContact O-NH2 2.96Å; L365-R368 WeakPolarHBondContact O-CB 3.47Å; L365-R368 PolarHBondContact O-N 3.33Å; E366-R368 PolarHBondContact O-N 2.76Å; R368-K371 PolarHBondContact O-N 3.21Å; R368-R372 WeakPolarHBondContact O-CB 3.43Å; R368-R372 WeakPolarHBondContact O-CG 3.43Å; R368-R372 PolarHBondContact O-N 3.02Å; R368-E416 IonicContact NH1-OE2 3.86Å; R368-E416 PolarHBondContact NH1-OE2 3.42Å
369	R	85.9	Confident	86.8	Confident	103 Å²	103	78.4 Å²	78.4	39%	0.389	36%	0.361	S	S	.	.	H	α-helix	trans	-55.5	-56	170	178	-165.7	175.1	-125.6	-3.4	109	L365 E366 K371 R372 I373 V413	L365-R369 PolarHBondContact O-N 3.48Å; E366-R369 WeakPolarHBondContact O-CB 3.34Å; E366-R369 PolarHBondContact O-N 3.4Å; R369-K371 VanDerWaalsContact C-N 3.32Å; R369-K371 PolarHBondContact O-N 3.25Å; R369-R372 PolarHBondContact O-N 2.86Å; R369-I373 HydrophobicContact CG-CD1 3.77Å; R369-I373 WeakPolarHBondContact O-CG1 3.35Å; R369-I373 PolarHBondContact O-N 2.81Å; R369-V413 HydrophobicContact CB-CG1 4.05Å; R369-V413 HydrophobicContact CB-CG2 4.26Å; R369-V413 HydrophobicContact CG-CG1 4.01Å; R369-V413 HydrophobicContact CG-CG2 4.27Å
370	M	82.1	Confident	86.9	Confident	101 Å²	101	78.7 Å²	78.7	50%	0.498	36%	0.358	S	S	.	.	H	α-helix	trans	-58.9	-42.7	-177.7	-173.5	56.1	73.3	0	0	111.7	E366 E367 I373 N374	E366-M370 WeakPolarHBondContact O-CB 3.32Å; E366-M370 PolarHBondContact O-N 3.14Å; E367-M370 PolarHBondContact O-N 3.2Å; M370-I373 PolarHBondContact O-N 3.15Å; M370-N374 WeakPolarHBondContact O-CB 3.47Å; M370-N374 PolarHBondContact O-N 3.11Å; M370-N374 PolarHBondContact O-ND2 3.09Å
371	K	85.4	Confident	86.9	Confident	115 Å²	115	74.1 Å²	74.1	50%	0.5	35%	0.354	S	S	.	.	H	α-helix	trans	-64.4	-48.2	176.8	-176.5	174	179.7	176	0	112.9	E367 R368 R369 I373 N374 E375	E367-K371 VanDerWaalsContact O-CB 3.25Å; E367-K371 WeakPolarHBondContact O-CB 3.43Å; E367-K371 PolarHBondContact O-N 3.26Å; R368-K371 PolarHBondContact O-N 3.21Å; R369-K371 VanDerWaalsContact C-N 3.32Å; R369-K371 PolarHBondContact O-N 3.25Å; K371-I373 VanDerWaalsContact C-N 3.34Å; K371-I373 PolarHBondContact O-N 2.94Å; K371-N374 PolarHBondContact O-N 2.86Å; K371-E375 WeakPolarHBondContact CE-OE1 3.35Å; K371-E375 WeakPolarHBondContact O-CG 3.43Å; K371-E375 PolarHBondContact O-N 2.92Å
372	R	86.5	Confident	86.9	Confident	80 Å²	80	79 Å²	79	30%	0.302	38%	0.377	S	S	.	.	H	α-helix	trans	-62.2	-40.8	177.3	-72	178.2	-175.7	171.3	6.8	111.3	R368 R369 E375 I376 L409	R368-R372 WeakPolarHBondContact O-CB 3.43Å; R368-R372 WeakPolarHBondContact O-CG 3.43Å; R368-R372 PolarHBondContact O-N 3.02Å; R369-R372 PolarHBondContact O-N 2.86Å; R372-E375 PolarHBondContact O-N 3.35Å; R372-I376 WeakPolarHBondContact O-CD1 3.36Å; R372-I376 VanDerWaalsContact O-CG1 3.3Å; R372-I376 WeakPolarHBondContact O-CG1 3.21Å; R372-I376 PolarHBondContact O-N 3.23Å; R372-L409 HydrophobicContact CB-CD1 4.09Å; R372-L409 HydrophobicContact CB-CD2 3.63Å; R372-L409 HydrophobicContact CG-CD1 4.47Å
373	I	83.1	Confident	87.1	Confident	29 Å²	29	77.7 Å²	77.7	15%	0.149	38%	0.375	C	S	.	.	H	α-helix	trans	-61	-48.6	174	-69.4	173.1	0	0	0	110.4	R369 M370 K371 E375 I376 M377 L409	R369-I373 HydrophobicContact CG-CD1 3.77Å; R369-I373 WeakPolarHBondContact O-CG1 3.35Å; R369-I373 PolarHBondContact O-N 2.81Å; M370-I373 PolarHBondContact O-N 3.15Å; K371-I373 VanDerWaalsContact C-N 3.34Å; K371-I373 PolarHBondContact O-N 2.94Å; I373-E375 VanDerWaalsContact C-N 3.32Å; I373-E375 PolarHBondContact O-N 3.15Å; I373-I376 PolarHBondContact O-N 2.77Å; I373-M377 HydrophobicContact CG2-CG 3.96Å; I373-M377 WeakPolarHBondContact O-CB 3.2Å; I373-M377 VanDerWaalsContact O-CG 3.24Å; I373-M377 WeakPolarHBondContact O-CG 3.43Å; I373-M377 PolarHBondContact O-N 2.79Å; I373-L409 HydrophobicContact CG1-CD2 3.77Å
374	N	83.4	Confident	87.3	Confident	95 Å²	95	75.9 Å²	75.9	51%	0.508	36%	0.363	S	S	.	.	H	α-helix	trans	-62.1	-36.4	178.8	-80.6	-58.3	0	0	0	113.2	M370 K371 K378	M370-N374 WeakPolarHBondContact O-CB 3.47Å; M370-N374 PolarHBondContact O-N 3.11Å; M370-N374 PolarHBondContact O-ND2 3.09Å; K371-N374 PolarHBondContact O-N 2.86Å; N374-K378 VanDerWaalsContact O-CB 3.31Å; N374-K378 WeakPolarHBondContact O-CB 3.47Å; N374-K378 PolarHBondContact O-N 3.02Å; N374-K378 VanDerWaalsContact O-N 3.08Å
375	E	91.1	Very high	87.4	Confident	104 Å²	104	78 Å²	78	49%	0.486	37%	0.374	S	S	.	.	H	α-helix	trans	-63.9	-46.9	173	-73.1	170.4	-175.6	0	0	111.1	K371 R372 I373 K378 E379	K371-E375 WeakPolarHBondContact CE-OE1 3.35Å; K371-E375 WeakPolarHBondContact O-CG 3.43Å; K371-E375 PolarHBondContact O-N 2.92Å; R372-E375 PolarHBondContact O-N 3.35Å; I373-E375 VanDerWaalsContact C-N 3.32Å; I373-E375 PolarHBondContact O-N 3.15Å; E375-K378 PolarHBondContact O-N 3.39Å; E375-E379 PolarHBondContact O-N 3.38Å
376	I	90	Very high	87.5	Confident	23 Å²	23	84.5 Å²	84.5	12%	0.118	40%	0.404	C	S	.	.	H	α-helix	trans	-65.4	-44.7	177.1	-65.5	159.3	0	0	0	112.1	R372 I373 K378 E379 W380 F402 V405 L406 L409	R372-I376 WeakPolarHBondContact O-CD1 3.36Å; R372-I376 VanDerWaalsContact O-CG1 3.3Å; R372-I376 WeakPolarHBondContact O-CG1 3.21Å; R372-I376 PolarHBondContact O-N 3.23Å; I373-I376 PolarHBondContact O-N 2.77Å; I376-K378 VanDerWaalsContact C-N 3.26Å; I376-K378 PolarHBondContact O-N 2.83Å; I376-E379 PolarHBondContact O-N 3.08Å; I376-W380 WeakPolarHBondContact O-CB 3.33Å; I376-W380 PolarHBondContact O-N 2.83Å; I376-F402 HydrophobicContact CG2-CD1 4.11Å; I376-V405 HydrophobicContact CD1-CG1 3.95Å; I376-V405 HydrophobicContact CG1-CG1 4.16Å; I376-V405 HydrophobicContact CG2-CG1 4.17Å; I376-L406 HydrophobicContact CB-CD2 4.17Å; I376-L406 HydrophobicContact CD1-CD2 4.27Å; I376-L406 HydrophobicContact CG2-CD2 3.67Å; I376-L406 HydrophobicContact CG2-CG 3.96Å; I376-L409 HydrophobicContact CD1-CB 4.41Å; I376-L409 HydrophobicContact CD1-CD2 3.59Å
377	M	81.9	Confident	87.7	Confident	86 Å²	86	80.8 Å²	80.8	42%	0.424	39%	0.387	S	S	.	.	H	α-helix	trans	-62.6	-35.5	179.5	-71.5	-64.7	-74.1	0	0	111.5	I373 W380 A381 L406	I373-M377 HydrophobicContact CG2-CG 3.96Å; I373-M377 WeakPolarHBondContact O-CB 3.2Å; I373-M377 VanDerWaalsContact O-CG 3.24Å; I373-M377 WeakPolarHBondContact O-CG 3.43Å; I373-M377 PolarHBondContact O-N 2.79Å; M377-W380 HydrophobicContact CE-CE3 4.28Å; M377-W380 HydrophobicContact CE-CZ3 4.26Å; M377-W380 HydrophobicContact SD-CE3 3.71Å; M377-W380 HydrophobicContact SD-CZ3 3.96Å; M377-A381 WeakPolarHBondContact O-CB 3.44Å; M377-A381 PolarHBondContact O-N 3.46Å; M377-L406 HydrophobicContact SD-CD1 4.27Å
378	K	89.4	Confident	87.7	Confident	129 Å²	129	80.5 Å²	80.5	56%	0.561	38%	0.383	S	S	*	.	H	α-helix	trans	-66.7	-47.8	171.8	-178.8	-172.7	166.2	-167.1	0	111.8	N374 E375 I376 W380 A381 E382	N374-K378 VanDerWaalsContact O-CB 3.31Å; N374-K378 WeakPolarHBondContact O-CB 3.47Å; N374-K378 PolarHBondContact O-N 3.02Å; N374-K378 VanDerWaalsContact O-N 3.08Å; E375-K378 PolarHBondContact O-N 3.39Å; I376-K378 VanDerWaalsContact C-N 3.26Å; I376-K378 PolarHBondContact O-N 2.83Å; K378-W380 VanDerWaalsContact C-N 3.29Å; K378-W380 PolarHBondContact O-N 3.33Å; K378-A381 PolarHBondContact O-N 3.18Å; K378-E382 WeakPolarHBondContact CE-OE1 3.4Å; K378-E382 IonicContact NZ-OE1 3.18Å; K378-E382 PolarHBondContact O-N 2.91Å
379	E	93.5	Very high	87.7	Confident	125 Å²	125	86 Å²	86	58%	0.584	42%	0.416	S	S	*	.	H	α-helix	trans	-60.2	-39.4	176.5	-73.2	-169.6	174.8	0	0	111.9	E375 I376 E382 A383 F402	E375-E379 PolarHBondContact O-N 3.38Å; I376-E379 PolarHBondContact O-N 3.08Å; E379-E382 PolarHBondContact O-N 3.48Å; E379-A383 WeakPolarHBondContact O-CB 3.33Å; E379-A383 PolarHBondContact O-N 3.4Å; E379-F402 HydrophobicContact CB-CE1 4.03Å; E379-F402 HydrophobicContact CB-CZ 4.35Å
380	W	91.8	Very high	87.8	Confident	66 Å²	66	85.3 Å²	85.3	25%	0.25	42%	0.419	C	S	.	.	H	α-helix	trans	-64	-43.8	175.1	-173.8	19.8	0	0	0	112.1	I376 M377 K378 A383 D384 N399 F402 L406	I376-W380 WeakPolarHBondContact O-CB 3.33Å; I376-W380 PolarHBondContact O-N 2.83Å; M377-W380 HydrophobicContact CE-CE3 4.28Å; M377-W380 HydrophobicContact CE-CZ3 4.26Å; M377-W380 HydrophobicContact SD-CE3 3.71Å; M377-W380 HydrophobicContact SD-CZ3 3.96Å; K378-W380 VanDerWaalsContact C-N 3.29Å; K378-W380 PolarHBondContact O-N 3.33Å; W380-A383 PolarHBondContact O-N 3.15Å; W380-D384 PolarHBondContact O-N 3.36Å; W380-N399 PolarHBondContact NE1-OD1 2.9Å; W380-F402 HydrophobicContact CB-CB 4.3Å; W380-F402 HydrophobicContact CB-CD1 3.69Å; W380-F402 HydrophobicContact CB-CD2 3.99Å; W380-F402 HydrophobicContact CB-CE1 3.94Å; W380-F402 HydrophobicContact CB-CE2 4.23Å; W380-F402 HydrophobicContact CB-CG 3.72Å; W380-F402 HydrophobicContact CB-CZ 4.2Å; W380-F402 AromaticContact CD1-CD2 3.32Å; W380-F402 AromaticContact CD1-CE2 3.91Å; W380-F402 AromaticContact CD1-CG 3.67Å; W380-F402 HydrophobicContact CD2-CB 4.07Å; W380-F402 HydrophobicContact CD2-CG 4.38Å; W380-F402 HydrophobicContact CG-CB 3.86Å; W380-F402 HydrophobicContact CG-CD1 4.15Å; W380-F402 AromaticContact CG-CD2 3.77Å; W380-F402 HydrophobicContact CG-CD2 3.77Å; W380-F402 HydrophobicContact CG-CE2 4.36Å; W380-F402 AromaticContact CG-CG 3.66Å; W380-F402 HydrophobicContact CG-CG 3.66Å; W380-L406 HydrophobicContact CZ3-CD1 4.42Å
381	A	88	Confident	88.3	Confident	63 Å²	63	83.9 Å²	83.9	52%	0.521	42%	0.418	S	S	.	.	H	α-helix	trans	-64.6	-40.9	176.1	0	0	0	0	0	112.6	M377 K378 A383 N385	M377-A381 WeakPolarHBondContact O-CB 3.44Å; M377-A381 PolarHBondContact O-N 3.46Å; K378-A381 PolarHBondContact O-N 3.18Å; A381-A383 VanDerWaalsContact C-N 3.32Å; A381-N385 VanDerWaalsContact O-CB 3.26Å; A381-N385 WeakPolarHBondContact O-CB 3.33Å; A381-N385 PolarHBondContact O-N 3.23Å
382	E	92.1	Very high	88.5	Confident	104 Å²	104	86.9 Å²	86.9	49%	0.486	43%	0.431	S	S	.	.	H	α-helix	trans	-64.9	-36.2	173.4	-73.2	-172.7	-158.1	0	0	111.8	K378 E379 Q386	K378-E382 WeakPolarHBondContact CE-OE1 3.4Å; K378-E382 IonicContact NZ-OE1 3.18Å; K378-E382 PolarHBondContact O-N 2.91Å; E379-E382 PolarHBondContact O-N 3.48Å; E382-Q386 WeakPolarHBondContact O-CG 3.35Å; E382-Q386 PolarHBondContact O-N 3.5Å; E382-Q386 PolarHBondContact O-NE2 3.37Å
383	A	91.8	Very high	88.7	Confident	21 Å²	21	89.8 Å²	89.8	17%	0.174	45%	0.451	C	S	.	.	H	α-helix	trans	-75.7	-45.5	179.4	0	0	0	0	0	113.4	E379 W380 A381 N385 Q386 S387 L398 F402	E379-A383 WeakPolarHBondContact O-CB 3.33Å; E379-A383 PolarHBondContact O-N 3.4Å; W380-A383 PolarHBondContact O-N 3.15Å; A381-A383 VanDerWaalsContact C-N 3.32Å; A383-N385 VanDerWaalsContact C-N 3.27Å; A383-N385 PolarHBondContact O-N 3.33Å; A383-Q386 PolarHBondContact O-N 3.31Å; A383-S387 WeakPolarHBondContact O-CB 3.47Å; A383-S387 PolarHBondContact O-N 3.34Å; A383-L398 HydrophobicContact CB-CD1 4.27Å; A383-L398 HydrophobicContact CB-CD2 4.06Å; A383-F402 HydrophobicContact CB-CE2 3.58Å; A383-F402 HydrophobicContact CB-CZ 3.84Å
384	D	88.3	Confident	89.1	Confident	38 Å²	38	93.7 Å²	93.7	20%	0.203	47%	0.469	C	S	.	.	H	α-helix	trans	-59.7	-42.3	174.2	175.9	81.8	0	0	0	110.2	W380 Q386 S387 K388 R395	W380-D384 PolarHBondContact O-N 3.36Å; D384-Q386 VanDerWaalsContact C-N 3.26Å; D384-Q386 PolarHBondContact O-N 3.37Å; D384-S387 WeakPolarHBondContact CA-OG 3.37Å; D384-S387 WeakPolarHBondContact O-CA 3.46Å; D384-S387 WeakPolarHBondContact O-CB 3.4Å; D384-S387 PolarHBondContact O-N 3.16Å; D384-S387 PolarHBondContact O-OG 3.17Å; D384-S387 PolarHBondContact OD1-OG 3.14Å; D384-K388 PolarHBondContact O-N 3Å; D384-R395 IonicContact OD1-CZ 3.79Å; D384-R395 IonicContact OD1-NH1 2.71Å; D384-R395 PolarHBondContact OD1-NH1 3.41Å
385	N	90.6	Very high	89.3	Confident	97 Å²	97	94.2 Å²	94.2	52%	0.519	46%	0.464	S	S	.	.	H	α-helix	trans	-58.7	-37.2	178.2	-167.8	39.7	0	0	0	112.9	A381 A383 K388	A381-N385 VanDerWaalsContact O-CB 3.26Å; A381-N385 WeakPolarHBondContact O-CB 3.33Å; A381-N385 PolarHBondContact O-N 3.23Å; A383-N385 VanDerWaalsContact C-N 3.27Å; A383-N385 PolarHBondContact O-N 3.33Å; N385-K388 PolarHBondContact OD1-NZ 3.02Å
386	Q	88.8	Confident	89.3	Confident	142 Å²	142	93.8 Å²	93.8	66%	0.664	46%	0.462	S	S	*	.	H	α-helix	trans	-73	-35.1	171.7	-70.7	170.9	76.6	0	0	112.2	E382 A383 D384 K388	E382-Q386 WeakPolarHBondContact O-CG 3.35Å; E382-Q386 PolarHBondContact O-N 3.5Å; E382-Q386 PolarHBondContact O-NE2 3.37Å; A383-Q386 PolarHBondContact O-N 3.31Å; D384-Q386 VanDerWaalsContact C-N 3.26Å; D384-Q386 PolarHBondContact O-N 3.37Å; Q386-K388 PolarHBondContact O-N 2.88Å
387	S	87.3	Confident	89.4	Confident	1 Å²	1	94.3 Å²	94.3	1%	0.007	47%	0.473	C	S	.	.	H	α-helix	trans	-69.4	-12.5	-177.2	84.8	0	0	0	0	115.3	A383 D384 N389 L390 R395	A383-S387 WeakPolarHBondContact O-CB 3.47Å; A383-S387 PolarHBondContact O-N 3.34Å; D384-S387 WeakPolarHBondContact CA-OG 3.37Å; D384-S387 WeakPolarHBondContact O-CA 3.46Å; D384-S387 WeakPolarHBondContact O-CB 3.4Å; D384-S387 PolarHBondContact O-N 3.16Å; D384-S387 PolarHBondContact O-OG 3.17Å; D384-S387 PolarHBondContact OD1-OG 3.14Å; S387-N389 PolarHBondContact O-N 3.45Å; S387-L390 WeakPolarHBondContact O-CB 3.46Å; S387-L390 PolarHBondContact O-N 2.85Å; S387-R395 WeakPolarHBondContact OG-CD 3.43Å; S387-R395 VanDerWaalsContact OG-CG 3.29Å; S387-R395 WeakPolarHBondContact OG-CG 3.26Å
388	K	85.9	Confident	89.9	Confident	131 Å²	131	92.2 Å²	92.2	57%	0.57	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-17.5	-175.5	-75.1	168.4	-174.8	166.2	0	115.3	D384 N385 Q386	D384-K388 PolarHBondContact O-N 3Å; N385-K388 PolarHBondContact OD1-NZ 3.02Å; Q386-K388 PolarHBondContact O-N 2.88Å
389	N	85.2	Confident	89.9	Confident	154 Å²	154	88.2 Å²	88.2	82%	0.824	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	1.2	176.6	-60.9	-71.6	0	0	0	114.2	S387	S387-N389 PolarHBondContact O-N 3.45Å
390	L	88.2	Confident	90	Very high	87 Å²	87	87 Å²	87	46%	0.455	44%	0.442	S	S	.	.	S	Bend	trans	-86.3	157.7	-177.5	-60.7	-178.6	0	0	0	112.4	S387 E394	S387-L390 WeakPolarHBondContact O-CB 3.46Å; S387-L390 PolarHBondContact O-N 2.85Å; L390-E394 HydrophobicContact CB-CB 4.26Å; L390-E394 HydrophobicContact CD1-CB 4.45Å
391	P	91.8	Very high	90.1	Very high	72 Å²	72	89 Å²	89	47%	0.468	45%	0.454	S	S	.	.			trans	-55	145.9	168.4	-24.9	35.4	0	0	0	112.5	L393 E394 R395	P391-L393 PolarHBondContact O-N 3.45Å; P391-E394 WeakPolarHBondContact CD-OE2 3.39Å; P391-E394 PolarHBondContact O-N 3.21Å; P391-R395 PolarHBondContact O-N 3.22Å; P391-R395 VanDerWaalsContact O-N 3.16Å
392	K	88.8	Confident	90.4	Very high	178 Å²	178	86.8 Å²	86.8	77%	0.774	43%	0.433	S	S	*	.	H	α-helix	trans	-51.5	-36.9	-179.2	-175.2	-179.1	176.5	-175.3	0	113.2	Q396	K392-Q396 WeakPolarHBondContact O-CB 3.31Å; K392-Q396 PolarHBondContact O-N 2.92Å
393	L	91.4	Very high	90.4	Very high	140 Å²	140	87.3 Å²	87.3	73%	0.733	44%	0.435	S	S	*	.	H	α-helix	trans	-65.3	-40.1	179.3	-174.2	66.9	0	0	0	112.6	P391 Q396 G397	P391-L393 PolarHBondContact O-N 3.45Å; L393-Q396 PolarHBondContact O-N 3.39Å; L393-G397 PolarHBondContact O-N 3.02Å; L393-G397 VanDerWaalsContact O-N 3.09Å
394	E	90.6	Very high	90.7	Very high	111 Å²	111	89.2 Å²	89.2	52%	0.519	45%	0.447	S	S	.	.	H	α-helix	trans	-71.7	-39.1	178.9	-69	170.3	-148.9	0	0	110.9	L390 P391 Q396 G397 L398	L390-E394 HydrophobicContact CB-CB 4.26Å; L390-E394 HydrophobicContact CD1-CB 4.45Å; P391-E394 WeakPolarHBondContact CD-OE2 3.39Å; P391-E394 PolarHBondContact O-N 3.21Å; E394-Q396 VanDerWaalsContact C-N 3.33Å; E394-Q396 PolarHBondContact O-N 3.14Å; E394-G397 PolarHBondContact O-N 2.94Å; E394-L398 PolarHBondContact O-N 3.4Å
395	R	88.6	Confident	91	Very high	107 Å²	107	89.7 Å²	89.7	40%	0.404	45%	0.452	S	S	.	.	H	α-helix	trans	-68.5	-30.2	173.8	-164.9	169.9	83	96.2	4.3	113.1	D384 S387 P391 N399	D384-R395 IonicContact OD1-CZ 3.79Å; D384-R395 IonicContact OD1-NH1 2.71Å; D384-R395 PolarHBondContact OD1-NH1 3.41Å; S387-R395 WeakPolarHBondContact OG-CD 3.43Å; S387-R395 VanDerWaalsContact OG-CG 3.29Å; S387-R395 WeakPolarHBondContact OG-CG 3.26Å; P391-R395 PolarHBondContact O-N 3.22Å; P391-R395 VanDerWaalsContact O-N 3.16Å; R395-N399 PolarHBondContact O-N 3.01Å
396	Q	90.8	Very high	91	Very high	95 Å²	95	86.3 Å²	86.3	44%	0.444	43%	0.433	S	S	.	.	H	α-helix	trans	-65.8	-51	171.6	178.3	175.5	-22.4	0	0	110.9	K392 L393 E394 L398 N399 E400	K392-Q396 WeakPolarHBondContact O-CB 3.31Å; K392-Q396 PolarHBondContact O-N 2.92Å; L393-Q396 PolarHBondContact O-N 3.39Å; E394-Q396 VanDerWaalsContact C-N 3.33Å; E394-Q396 PolarHBondContact O-N 3.14Å; Q396-L398 PolarHBondContact O-N 2.91Å; Q396-N399 PolarHBondContact O-N 3.39Å; Q396-E400 HydrophobicContact CG-CG 4.41Å; Q396-E400 VanDerWaalsContact CG-OE1 3.27Å; Q396-E400 WeakPolarHBondContact CG-OE1 3.49Å; Q396-E400 PolarHBondContact NE2-OE1 2.96Å; Q396-E400 WeakPolarHBondContact O-CG 3.49Å; Q396-E400 PolarHBondContact O-N 3.08Å
397	G	93.1	Very high	91.2	Very high	34 Å²	34	84.6 Å²	84.6	35%	0.351	43%	0.425	S	S	.	.	H	α-helix	trans	-61.4	-27.6	177.6	0	0	0	0	0	114	L393 E394 H401	L393-G397 PolarHBondContact O-N 3.02Å; L393-G397 VanDerWaalsContact O-N 3.09Å; E394-G397 PolarHBondContact O-N 2.94Å; G397-H401 WeakPolarHBondContact O-CB 3.44Å; G397-H401 PolarHBondContact O-N 2.79Å
398	L	92.4	Very high	91.6	Very high	42 Å²	42	87.5 Å²	87.5	22%	0.22	44%	0.443	C	S	.	.	H	α-helix	trans	-65.7	-45.7	171.7	-173.1	66.9	0	0	0	112.1	A383 E394 Q396 H401 F402	A383-L398 HydrophobicContact CB-CD1 4.27Å; A383-L398 HydrophobicContact CB-CD2 4.06Å; E394-L398 PolarHBondContact O-N 3.4Å; Q396-L398 PolarHBondContact O-N 2.91Å; L398-H401 WeakPolarHBondContact O-CB 3.19Å; L398-H401 PolarHBondContact O-N 3.09Å; L398-F402 HydrophobicContact CD1-CD2 4.27Å; L398-F402 HydrophobicContact CD1-CE2 3.78Å; L398-F402 HydrophobicContact CG-CD2 4.24Å; L398-F402 HydrophobicContact CG-CE2 4.09Å; L398-F402 VanDerWaalsContact O-CD2 3.31Å; L398-F402 WeakPolarHBondContact O-CD2 3.38Å; L398-F402 PolarHBondContact O-N 2.8Å; L398-F402 VanDerWaalsContact O-N 3.15Å
399	N	89.6	Confident	91.9	Very high	45 Å²	45	81.8 Å²	81.8	24%	0.241	42%	0.419	C	S	.	.	H	α-helix	trans	-68.2	-41.4	177.5	-74.2	-1.8	0	0	0	111.7	W380 R395 Q396 H401 F402 Q403	W380-N399 PolarHBondContact NE1-OD1 2.9Å; R395-N399 PolarHBondContact O-N 3.01Å; Q396-N399 PolarHBondContact O-N 3.39Å; N399-H401 PolarHBondContact O-N 3.48Å; N399-F402 PolarHBondContact O-N 3.1Å; N399-Q403 WeakPolarHBondContact O-CB 3.32Å; N399-Q403 VanDerWaalsContact O-CG 3.31Å; N399-Q403 WeakPolarHBondContact O-CG 3.14Å; N399-Q403 PolarHBondContact O-N 2.9Å
400	E	94.8	Very high	92	Very high	98 Å²	98	79 Å²	79	46%	0.458	40%	0.401	S	S	.	.	H	α-helix	trans	-58.6	-35.3	173.9	-70.1	169.3	-179.9	0	0	111.5	Q396 S404	Q396-E400 HydrophobicContact CG-CG 4.41Å; Q396-E400 VanDerWaalsContact CG-OE1 3.27Å; Q396-E400 WeakPolarHBondContact CG-OE1 3.49Å; Q396-E400 PolarHBondContact NE2-OE1 2.96Å; Q396-E400 WeakPolarHBondContact O-CG 3.49Å; Q396-E400 PolarHBondContact O-N 3.08Å; E400-S404 WeakPolarHBondContact O-CB 3.23Å; E400-S404 PolarHBondContact O-N 2.8Å
401	H	94.8	Very high	92.1	Very high	109 Å²	109	80.5 Å²	80.5	51%	0.505	41%	0.405	S	S	.	.	H	α-helix	trans	-66.4	-50.2	173.7	178.9	37.4	0	0	0	112.7	G397 L398 N399 Q403 S404 V405	G397-H401 WeakPolarHBondContact O-CB 3.44Å; G397-H401 PolarHBondContact O-N 2.79Å; L398-H401 WeakPolarHBondContact O-CB 3.19Å; L398-H401 PolarHBondContact O-N 3.09Å; N399-H401 PolarHBondContact O-N 3.48Å; H401-Q403 PolarHBondContact O-N 2.98Å; H401-S404 PolarHBondContact O-N 3.25Å; H401-V405 WeakPolarHBondContact O-CG2 3.3Å; H401-V405 PolarHBondContact O-N 2.99Å
402	F	93.5	Very high	92	Very high	17 Å²	17	81.8 Å²	81.8	8%	0.075	41%	0.405	C	S	.	.	H	α-helix	trans	-66	-36.5	179.3	-78.7	-72.1	0	0	0	112.7	I376 E379 W380 A383 L398 N399 V405 L406	I376-F402 HydrophobicContact CG2-CD1 4.11Å; E379-F402 HydrophobicContact CB-CE1 4.03Å; E379-F402 HydrophobicContact CB-CZ 4.35Å; W380-F402 HydrophobicContact CB-CB 4.3Å; W380-F402 HydrophobicContact CB-CD1 3.69Å; W380-F402 HydrophobicContact CB-CD2 3.99Å; W380-F402 HydrophobicContact CB-CE1 3.94Å; W380-F402 HydrophobicContact CB-CE2 4.23Å; W380-F402 HydrophobicContact CB-CG 3.72Å; W380-F402 HydrophobicContact CB-CZ 4.2Å; W380-F402 AromaticContact CD1-CD2 3.32Å; W380-F402 AromaticContact CD1-CE2 3.91Å; W380-F402 AromaticContact CD1-CG 3.67Å; W380-F402 HydrophobicContact CD2-CB 4.07Å; W380-F402 HydrophobicContact CD2-CG 4.38Å; W380-F402 HydrophobicContact CG-CB 3.86Å; W380-F402 HydrophobicContact CG-CD1 4.15Å; W380-F402 AromaticContact CG-CD2 3.77Å; W380-F402 HydrophobicContact CG-CD2 3.77Å; W380-F402 HydrophobicContact CG-CE2 4.36Å; W380-F402 AromaticContact CG-CG 3.66Å; W380-F402 HydrophobicContact CG-CG 3.66Å; A383-F402 HydrophobicContact CB-CE2 3.58Å; A383-F402 HydrophobicContact CB-CZ 3.84Å; L398-F402 HydrophobicContact CD1-CD2 4.27Å; L398-F402 HydrophobicContact CD1-CE2 3.78Å; L398-F402 HydrophobicContact CG-CD2 4.24Å; L398-F402 HydrophobicContact CG-CE2 4.09Å; L398-F402 VanDerWaalsContact O-CD2 3.31Å; L398-F402 WeakPolarHBondContact O-CD2 3.38Å; L398-F402 PolarHBondContact O-N 2.8Å; L398-F402 VanDerWaalsContact O-N 3.15Å; N399-F402 PolarHBondContact O-N 3.1Å; F402-V405 PolarHBondContact O-N 3.36Å; F402-L406 WeakPolarHBondContact O-CG 3.4Å; F402-L406 PolarHBondContact O-N 2.93Å
403	Q	92.5	Very high	92	Very high	114 Å²	114	74 Å²	74	53%	0.533	37%	0.372	S	S	.	.	H	α-helix	trans	-59.7	-46	171.2	-73.7	175.2	-39.4	0	0	111.6	N399 H401 V405 L406 Q407	N399-Q403 WeakPolarHBondContact O-CB 3.32Å; N399-Q403 VanDerWaalsContact O-CG 3.31Å; N399-Q403 WeakPolarHBondContact O-CG 3.14Å; N399-Q403 PolarHBondContact O-N 2.9Å; H401-Q403 PolarHBondContact O-N 2.98Å; Q403-V405 VanDerWaalsContact C-N 3.32Å; Q403-V405 PolarHBondContact O-N 2.94Å; Q403-L406 PolarHBondContact O-N 3.44Å; Q403-Q407 WeakPolarHBondContact O-CB 3.48Å; Q403-Q407 PolarHBondContact O-N 2.98Å
404	S	96.6	Very high	91.8	Very high	62 Å²	62	70 Å²	70	43%	0.434	36%	0.36	S	S	.	.	H	α-helix	trans	-64	-34.4	175.9	177.3	0	0	0	0	112.9	E400 H401 T408	E400-S404 WeakPolarHBondContact O-CB 3.23Å; E400-S404 PolarHBondContact O-N 2.8Å; H401-S404 PolarHBondContact O-N 3.25Å; S404-T408 WeakPolarHBondContact O-CB 3.39Å; S404-T408 PolarHBondContact O-N 3.24Å; S404-T408 PolarHBondContact O-OG1 3.05Å
405	V	95.3	Very high	91.7	Very high	48 Å²	48	66.6 Å²	66.6	29%	0.291	36%	0.355	S	S	.	.	H	α-helix	trans	-69.9	-42.9	175.9	169.5	0	0	0	0	111.6	I376 H401 F402 Q403 T408 L409	I376-V405 HydrophobicContact CD1-CG1 3.95Å; I376-V405 HydrophobicContact CG1-CG1 4.16Å; I376-V405 HydrophobicContact CG2-CG1 4.17Å; H401-V405 WeakPolarHBondContact O-CG2 3.3Å; H401-V405 PolarHBondContact O-N 2.99Å; F402-V405 PolarHBondContact O-N 3.36Å; Q403-V405 VanDerWaalsContact C-N 3.32Å; Q403-V405 PolarHBondContact O-N 2.94Å; V405-T408 PolarHBondContact O-N 3.01Å; V405-L409 PolarHBondContact O-N 3.38Å
406	L	91.4	Very high	91.7	Very high	26 Å²	26	64.1 Å²	64.1	14%	0.136	35%	0.347	C	S	.	.	H	α-helix	trans	-62.5	-50.1	174.8	-72.5	169.6	0	0	0	111.2	I376 M377 W380 F402 Q403 T408 L409 E410	I376-L406 HydrophobicContact CB-CD2 4.17Å; I376-L406 HydrophobicContact CD1-CD2 4.27Å; I376-L406 HydrophobicContact CG2-CD2 3.67Å; I376-L406 HydrophobicContact CG2-CG 3.96Å; M377-L406 HydrophobicContact SD-CD1 4.27Å; W380-L406 HydrophobicContact CZ3-CD1 4.42Å; F402-L406 WeakPolarHBondContact O-CG 3.4Å; F402-L406 PolarHBondContact O-N 2.93Å; Q403-L406 PolarHBondContact O-N 3.44Å; L406-T408 VanDerWaalsContact C-N 3.28Å; L406-T408 PolarHBondContact O-N 3.28Å; L406-L409 WeakPolarHBondContact O-CA 3.35Å; L406-L409 WeakPolarHBondContact O-CB 3.16Å; L406-L409 PolarHBondContact O-N 2.66Å; L406-E410 WeakPolarHBondContact O-CG 3.4Å; L406-E410 PolarHBondContact O-N 2.87Å
407	Q	92.8	Very high	91.5	Very high	105 Å²	105	64 Å²	64	49%	0.491	34%	0.343	S	S	.	.	H	α-helix	trans	-55.6	-43.6	175.5	-176.5	-172.4	-17.8	0	0	111.6	Q403 L409 E410 E411	Q403-Q407 WeakPolarHBondContact O-CB 3.48Å; Q403-Q407 PolarHBondContact O-N 2.98Å; Q407-L409 VanDerWaalsContact C-N 3.29Å; Q407-L409 PolarHBondContact O-N 2.85Å; Q407-E410 PolarHBondContact O-N 2.66Å; Q407-E411 HydrophobicContact CG-CG 4.48Å; Q407-E411 WeakPolarHBondContact CG-OE1 3.3Å; Q407-E411 PolarHBondContact NE2-OE1 3.2Å; Q407-E411 WeakPolarHBondContact O-CB 3.48Å; Q407-E411 WeakPolarHBondContact O-CG 3.3Å; Q407-E411 PolarHBondContact O-N 2.94Å
408	T	95.1	Very high	91.3	Very high	62 Å²	62	67.8 Å²	67.8	38%	0.38	35%	0.352	S	S	.	.	H	α-helix	trans	-64.4	-33.5	178.4	-56.9	0	0	0	0	112.2	S404 V405 L406 Q412	S404-T408 WeakPolarHBondContact O-CB 3.39Å; S404-T408 PolarHBondContact O-N 3.24Å; S404-T408 PolarHBondContact O-OG1 3.05Å; V405-T408 PolarHBondContact O-N 3.01Å; L406-T408 VanDerWaalsContact C-N 3.28Å; L406-T408 PolarHBondContact O-N 3.28Å; T408-Q412 VanDerWaalsContact O-CG 3.23Å; T408-Q412 WeakPolarHBondContact O-CG 3.38Å; T408-Q412 PolarHBondContact O-N 3.14Å
409	L	91.9	Very high	91.2	Very high	12 Å²	12	72 Å²	72	6%	0.063	36%	0.364	C	S	.	.	H	α-helix	trans	-71.7	-41.8	173.9	175.8	64.4	0	0	0	111.5	R372 I373 I376 V405 L406 Q407 Q412 V413	R372-L409 HydrophobicContact CB-CD1 4.09Å; R372-L409 HydrophobicContact CB-CD2 3.63Å; R372-L409 HydrophobicContact CG-CD1 4.47Å; I373-L409 HydrophobicContact CG1-CD2 3.77Å; I376-L409 HydrophobicContact CD1-CB 4.41Å; I376-L409 HydrophobicContact CD1-CD2 3.59Å; V405-L409 PolarHBondContact O-N 3.38Å; L406-L409 WeakPolarHBondContact O-CA 3.35Å; L406-L409 WeakPolarHBondContact O-CB 3.16Å; L406-L409 PolarHBondContact O-N 2.66Å; Q407-L409 VanDerWaalsContact C-N 3.29Å; Q407-L409 PolarHBondContact O-N 2.85Å; L409-Q412 PolarHBondContact O-N 2.84Å; L409-V413 HydrophobicContact CD1-CG2 4.01Å; L409-V413 HydrophobicContact CG-CG2 4.39Å; L409-V413 WeakPolarHBondContact O-CG2 3.5Å; L409-V413 PolarHBondContact O-N 3.39Å
410	E	87.1	Confident	91.2	Very high	96 Å²	96	70 Å²	70	45%	0.449	35%	0.354	S	S	.	.	H	α-helix	trans	-64.2	-44.5	179.1	-71	169	157.4	0	0	111.3	L406 Q407 Q412 V413 A414	L406-E410 WeakPolarHBondContact O-CG 3.4Å; L406-E410 PolarHBondContact O-N 2.87Å; Q407-E410 PolarHBondContact O-N 2.66Å; E410-Q412 VanDerWaalsContact C-N 3.31Å; E410-Q412 PolarHBondContact O-N 2.9Å; E410-V413 PolarHBondContact O-N 2.81Å; E410-A414 VanDerWaalsContact O-CB 3.29Å; E410-A414 WeakPolarHBondContact O-CB 3.48Å; E410-A414 PolarHBondContact O-N 3.23Å
411	E	91.6	Very high	90.9	Very high	117 Å²	117	67.7 Å²	67.7	55%	0.547	35%	0.346	S	S	.	.	H	α-helix	trans	-59.9	-38.6	172.9	-72.9	175.7	-167.3	0	0	112.3	Q407 G415	Q407-E411 HydrophobicContact CG-CG 4.48Å; Q407-E411 WeakPolarHBondContact CG-OE1 3.3Å; Q407-E411 PolarHBondContact NE2-OE1 3.2Å; Q407-E411 WeakPolarHBondContact O-CB 3.48Å; Q407-E411 WeakPolarHBondContact O-CG 3.3Å; Q407-E411 PolarHBondContact O-N 2.94Å; E411-G415 PolarHBondContact O-N 3.04Å; E411-G415 VanDerWaalsContact O-N 3.15Å
412	Q	90.2	Very high	90.6	Very high	100 Å²	100	67.6 Å²	67.6	47%	0.467	35%	0.346	S	S	.	.	H	α-helix	trans	-67.8	-46.7	175.4	-76.2	171.7	22.5	0	0	112.3	T408 L409 E410 G415 E416	T408-Q412 VanDerWaalsContact O-CG 3.23Å; T408-Q412 WeakPolarHBondContact O-CG 3.38Å; T408-Q412 PolarHBondContact O-N 3.14Å; L409-Q412 PolarHBondContact O-N 2.84Å; E410-Q412 VanDerWaalsContact C-N 3.31Å; E410-Q412 PolarHBondContact O-N 2.9Å; Q412-G415 PolarHBondContact O-N 2.77Å; Q412-E416 PolarHBondContact O-N 2.04Å
413	V	88.3	Confident	90.5	Very high	13 Å²	13	68.7 Å²	68.7	8%	0.079	35%	0.354	C	S	.	.	H	α-helix	trans	-68.9	-34.9	-179.5	173.5	0	0	0	0	111.4	R369 L409 E410 G415 E416 R417	R369-V413 HydrophobicContact CB-CG1 4.05Å; R369-V413 HydrophobicContact CB-CG2 4.26Å; R369-V413 HydrophobicContact CG-CG1 4.01Å; R369-V413 HydrophobicContact CG-CG2 4.27Å; L409-V413 HydrophobicContact CD1-CG2 4.01Å; L409-V413 HydrophobicContact CG-CG2 4.39Å; L409-V413 WeakPolarHBondContact O-CG2 3.5Å; L409-V413 PolarHBondContact O-N 3.39Å; E410-V413 PolarHBondContact O-N 2.81Å; V413-G415 VanDerWaalsContact C-N 3.34Å; V413-E416 PolarHBondContact O-N 2.93Å; V413-R417 WeakPolarHBondContact O-CB 3.36Å; V413-R417 PolarHBondContact O-N 3.16Å
414	A	86.3	Confident	90.3	Very high	58 Å²	58	64.1 Å²	64.1	48%	0.479	33%	0.333	S	S	.	.	H	α-helix	trans	-61.2	-42.7	171.2	0	0	0	0	0	111.5	E410 R417 Q418	E410-A414 VanDerWaalsContact O-CB 3.29Å; E410-A414 WeakPolarHBondContact O-CB 3.48Å; E410-A414 PolarHBondContact O-N 3.23Å; A414-R417 PolarHBondContact O-N 3.37Å; A414-Q418 WeakPolarHBondContact O-CB 3.44Å; A414-Q418 PolarHBondContact O-N 3.31Å
415	G	88.4	Confident	89.8	Confident	39 Å²	39	63.1 Å²	63.1	40%	0.402	32%	0.323	S	S	.	.	H	α-helix	trans	-64.3	-38	173.4	0	0	0	0	0	113.8	E411 Q412 V413 R419	E411-G415 PolarHBondContact O-N 3.04Å; E411-G415 VanDerWaalsContact O-N 3.15Å; Q412-G415 PolarHBondContact O-N 2.77Å; V413-G415 VanDerWaalsContact C-N 3.34Å; G415-R419 WeakPolarHBondContact O-CB 3.49Å; G415-R419 PolarHBondContact O-N 3.38Å
416	E	88.8	Confident	89.6	Confident	54 Å²	54	63.2 Å²	63.2	25%	0.252	33%	0.328	S	S	.	.	H	α-helix	trans	-67.2	-44.8	172.9	-72.6	178.5	-143	0	0	111.5	L365 R368 Q412 V413 R419 L420	L365-E416 HydrophobicContact CD1-CB 3.74Å; L365-E416 VanDerWaalsContact CD1-OE2 3.23Å; L365-E416 WeakPolarHBondContact CD1-OE2 3.46Å; L365-E416 HydrophobicContact CD2-CB 4.01Å; R368-E416 IonicContact NH1-OE2 3.86Å; R368-E416 PolarHBondContact NH1-OE2 3.42Å; Q412-E416 PolarHBondContact O-N 2.04Å; V413-E416 PolarHBondContact O-N 2.93Å; E416-R419 PolarHBondContact O-N 3.36Å; E416-L420 WeakPolarHBondContact O-CB 3.07Å; E416-L420 PolarHBondContact O-N 3.4Å
417	R	87.4	Confident	89.6	Confident	93 Å²	93	63.1 Å²	63.1	35%	0.351	33%	0.326	S	S	.	.	H	α-helix	trans	-60.1	-47.2	175.4	-174	178.1	-179.9	-175.9	4.3	110.4	E256 L365 V413 A414 L420 V421	E256-R417 IonicContact OE1-NH1 3.37Å; E256-R417 IonicContact OE2-CZ 3.72Å; E256-R417 IonicContact OE2-NH1 2.67Å; E256-R417 PolarHBondContact OE2-NH1 2.63Å; E256-R417 IonicContact OE2-NH2 3.84Å; E256-R417 PolarHBondContact OE2-NH2 3.35Å; L365-R417 HydrophobicContact CD2-CB 4.17Å; V413-R417 WeakPolarHBondContact O-CB 3.36Å; V413-R417 PolarHBondContact O-N 3.16Å; A414-R417 PolarHBondContact O-N 3.37Å; R417-L420 PolarHBondContact O-N 2.99Å; R417-V421 WeakPolarHBondContact O-CG2 3.41Å; R417-V421 PolarHBondContact O-N 3.04Å
418	Q	87.6	Confident	89.5	Confident	114 Å²	114	59.3 Å²	59.3	53%	0.533	31%	0.31	S	S	.	.	H	α-helix	trans	-60.7	-51.6	178.1	-179.9	175.9	-7.6	0	0	111.9	A414 L420 V421 E422	A414-Q418 WeakPolarHBondContact O-CB 3.44Å; A414-Q418 PolarHBondContact O-N 3.31Å; Q418-L420 VanDerWaalsContact C-N 3.25Å; Q418-L420 PolarHBondContact O-N 2.53Å; Q418-V421 PolarHBondContact O-N 3.15Å; Q418-E422 HydrophobicContact CG-CG 4.23Å; Q418-E422 WeakPolarHBondContact CG-OE1 3.08Å; Q418-E422 PolarHBondContact NE2-OE1 2.67Å; Q418-E422 WeakPolarHBondContact O-CB 3.45Å; Q418-E422 WeakPolarHBondContact O-CG 3.38Å; Q418-E422 PolarHBondContact O-N 2.94Å
419	R	90.5	Very high	89	Confident	129 Å²	129	61.4 Å²	61.4	49%	0.487	32%	0.316	S	S	.	.	H	α-helix	trans	-60.2	-36.4	179.8	-179.8	-175.2	164.7	-147.8	-9.7	112.2	F346 G415 E416 T423	F346-R419 HydrophobicContact CE1-CG 4.22Å; F346-R419 HydrophobicContact CZ-CG 3.81Å; G415-R419 WeakPolarHBondContact O-CB 3.49Å; G415-R419 PolarHBondContact O-N 3.38Å; E416-R419 PolarHBondContact O-N 3.36Å; R419-T423 WeakPolarHBondContact O-CB 3.45Å; R419-T423 PolarHBondContact O-N 3.49Å; R419-T423 VanDerWaalsContact O-N 3.15Å; R419-T423 PolarHBondContact O-OG1 2.85Å
420	L	90.7	Very high	88.9	Confident	4 Å²	4	64.4 Å²	64.4	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-65.2	-51	176.7	-176.6	66.8	0	0	0	111	V342 Y345 F346 F358 A361 E416 R417 Q418 T423 H424	V342-L420 HydrophobicContact CG1-CD1 4.47Å; Y345-L420 HydrophobicContact CD1-CD1 3.36Å; Y345-L420 HydrophobicContact CE1-CD1 3.47Å; Y345-L420 VanDerWaalsContact CE1-CD1 3.47Å; Y345-L420 HydrophobicContact CG-CD1 4Å; F346-L420 HydrophobicContact CZ-CD1 4.45Å; F358-L420 HydrophobicContact CD2-CD1 4.37Å; F358-L420 HydrophobicContact CD2-CD2 4.28Å; F358-L420 HydrophobicContact CD2-CG 3.92Å; F358-L420 HydrophobicContact CE2-CD2 4.12Å; F358-L420 HydrophobicContact CE2-CG 3.88Å; A361-L420 HydrophobicContact CB-CD1 3.61Å; A361-L420 HydrophobicContact CB-CD2 3.93Å; A361-L420 HydrophobicContact CB-CG 4.41Å; E416-L420 WeakPolarHBondContact O-CB 3.07Å; E416-L420 PolarHBondContact O-N 3.4Å; R417-L420 PolarHBondContact O-N 2.99Å; Q418-L420 VanDerWaalsContact C-N 3.25Å; Q418-L420 PolarHBondContact O-N 2.53Å; L420-T423 PolarHBondContact O-N 3.37Å; L420-H424 PolarHBondContact O-N 2.91Å
421	V	88.2	Confident	89	Confident	50 Å²	50	61.2 Å²	61.2	30%	0.303	32%	0.32	S	S	.	.	H	α-helix	trans	-62.8	-44.8	178.6	171.9	0	0	0	0	112	F358 R417 Q418 T423 H424 L425	F358-V421 HydrophobicContact CE2-CG2 4.07Å; F358-V421 HydrophobicContact CZ-CG2 4.11Å; R417-V421 WeakPolarHBondContact O-CG2 3.41Å; R417-V421 PolarHBondContact O-N 3.04Å; Q418-V421 PolarHBondContact O-N 3.15Å; V421-T423 VanDerWaalsContact C-N 3.28Å; V421-T423 PolarHBondContact O-N 3.31Å; V421-H424 PolarHBondContact O-N 2.99Å; V421-L425 HydrophobicContact CG1-CD1 3.79Å; V421-L425 HydrophobicContact CG1-CG 4.28Å; V421-L425 WeakPolarHBondContact O-CG 3.07Å; V421-L425 PolarHBondContact O-N 3.02Å
422	E	87.8	Confident	88.9	Confident	107 Å²	107	56.1 Å²	56.1	50%	0.5	30%	0.296	S	S	.	.	H	α-helix	trans	-59.6	-38.9	176.5	-74.5	175.8	173.6	0	0	112.1	Q418 A426	Q418-E422 HydrophobicContact CG-CG 4.23Å; Q418-E422 WeakPolarHBondContact CG-OE1 3.08Å; Q418-E422 PolarHBondContact NE2-OE1 2.67Å; Q418-E422 WeakPolarHBondContact O-CB 3.45Å; Q418-E422 WeakPolarHBondContact O-CG 3.38Å; Q418-E422 PolarHBondContact O-N 2.94Å; E422-A426 WeakPolarHBondContact O-CB 3.41Å; E422-A426 PolarHBondContact O-N 2.98Å
423	T	91.2	Very high	88.9	Confident	40 Å²	40	53.9 Å²	53.9	25%	0.245	29%	0.287	C	S	.	.	H	α-helix	trans	-69.2	-41.9	175.8	-56.2	0	0	0	0	111.5	Y345 F346 R419 L420 V421 A426 R427	Y345-T423 HydrophobicContact CE1-CG2 3.88Å; F346-T423 HydrophobicContact CD1-CG2 4.08Å; F346-T423 HydrophobicContact CE1-CG2 4.17Å; F346-T423 WeakPolarHBondContact CE1-OG1 3.15Å; R419-T423 WeakPolarHBondContact O-CB 3.45Å; R419-T423 PolarHBondContact O-N 3.49Å; R419-T423 VanDerWaalsContact O-N 3.15Å; R419-T423 PolarHBondContact O-OG1 2.85Å; L420-T423 PolarHBondContact O-N 3.37Å; V421-T423 VanDerWaalsContact C-N 3.28Å; V421-T423 PolarHBondContact O-N 3.31Å; T423-A426 PolarHBondContact O-N 3.44Å; T423-R427 WeakPolarHBondContact O-CG 3.46Å; T423-R427 PolarHBondContact O-N 2.94Å
424	H	90	Very high	89	Confident	17 Å²	17	56.6 Å²	56.6	8%	0.079	30%	0.302	C	S	.	.	H	α-helix	trans	-62.4	-49.3	178.8	-175.5	50.9	0	0	0	111.7	Y345 E354 H355 F358 L420 V421 A426 R427 V428	Y345-H424 VanDerWaalsContact OH-CA 3.26Å; Y345-H424 WeakPolarHBondContact OH-CA 3.36Å; Y345-H424 PolarHBondContact OH-N 3.37Å; E354-H424 IonicContact OE1-CE1 2.66Å; E354-H424 IonicContact OE1-CG 2.85Å; E354-H424 IonicContact OE1-ND1 2.66Å; E354-H424 PolarHBondContact OE1-ND1 3.18Å; H355-H424 AromaticContact ND1-NE2 3.65Å; F358-H424 HydrophobicContact CB-CB 4.34Å; F358-H424 WeakPolarHBondContact CB-ND1 3.38Å; F358-H424 AromaticContact CD1-CD2 3.5Å; F358-H424 AromaticContact CD1-CG 3.94Å; F358-H424 AromaticContact CD1-NE2 3.64Å; F358-H424 HydrophobicContact CD2-CB 3.46Å; F358-H424 VanDerWaalsContact CD2-CB 3.46Å; F358-H424 AromaticContact CD2-CD2 3.86Å; F358-H424 AromaticContact CD2-CG 3.54Å; F358-H424 AromaticContact CE1-CD2 3.82Å; F358-H424 HydrophobicContact CE2-CB 3.87Å; F358-H424 HydrophobicContact CG-CB 3.92Å; F358-H424 AromaticContact CG-CD2 3.52Å; F358-H424 AromaticContact CG-CE1 3.93Å; F358-H424 AromaticContact CG-CG 3.43Å; F358-H424 VanDerWaalsContact CG-CG 3.43Å; F358-H424 AromaticContact CG-ND1 3.69Å; F358-H424 AromaticContact CG-NE2 3.85Å; L420-H424 PolarHBondContact O-N 2.91Å; V421-H424 PolarHBondContact O-N 2.99Å; H424-A426 VanDerWaalsContact C-N 3.34Å; H424-A426 PolarHBondContact O-N 3.17Å; H424-R427 PolarHBondContact O-N 3.47Å; H424-R427 VanDerWaalsContact O-N 3.08Å; H424-V428 WeakPolarHBondContact CE1-CG2 3.26Å; H424-V428 WeakPolarHBondContact O-CG2 3.42Å; H424-V428 PolarHBondContact O-N 3.22Å
425	L	86.3	Confident	89.3	Confident	42 Å²	42	57.1 Å²	57.1	22%	0.22	30%	0.296	C	S	.	.	H	α-helix	trans	-57.4	-45.8	178.1	-68.7	168.6	0	0	0	111.7	V421 R427 V428 E429	V421-L425 HydrophobicContact CG1-CD1 3.79Å; V421-L425 HydrophobicContact CG1-CG 4.28Å; V421-L425 WeakPolarHBondContact O-CG 3.07Å; V421-L425 PolarHBondContact O-N 3.02Å; L425-R427 VanDerWaalsContact C-N 3.32Å; L425-R427 PolarHBondContact O-N 3.34Å; L425-V428 PolarHBondContact O-N 3.05Å; L425-E429 WeakPolarHBondContact O-CB 3.43Å; L425-E429 PolarHBondContact O-N 3.05Å
426	A	89.9	Confident	89.5	Confident	50 Å²	50	57 Å²	57	41%	0.413	28%	0.283	S	S	.	.	H	α-helix	trans	-64.7	-33	177.1	0	0	0	0	0	113.2	E422 T423 H424 V430	E422-A426 WeakPolarHBondContact O-CB 3.41Å; E422-A426 PolarHBondContact O-N 2.98Å; T423-A426 PolarHBondContact O-N 3.44Å; H424-A426 VanDerWaalsContact C-N 3.34Å; H424-A426 PolarHBondContact O-N 3.17Å; A426-V430 WeakPolarHBondContact O-CG2 3.35Å; A426-V430 PolarHBondContact O-N 2.78Å
427	R	91.8	Very high	89.6	Confident	24 Å²	24	60.4 Å²	60.4	9%	0.091	29%	0.294	C	S	.	.	H	α-helix	trans	-72.9	-43.9	173.7	-71.9	-179	178.3	-179.8	3.6	112	Y345 F346 K348 V350 E354 T423 H424 L425 V430 I431	Y345-R427 VanDerWaalsContact CE2-NH1 3.26Å; Y345-R427 VanDerWaalsContact CZ-NH1 3.33Å; Y345-R427 PolarHBondContact O-NH1 2.81Å; Y345-R427 VanDerWaalsContact O-NH1 3.16Å; Y345-R427 PolarHBondContact O-NH2 2.94Å; F346-R427 PolarHBondContact O-NH2 2.7Å; K348-R427 PolarHBondContact O-NH2 2.88Å; V350-R427 HydrophobicContact CG1-CB 4.33Å; V350-R427 HydrophobicContact CG2-CB 4.47Å; V350-R427 HydrophobicContact CG2-CG 3.83Å; E354-R427 HydrophobicContact CG-CB 3.95Å; E354-R427 WeakPolarHBondContact OE1-CD 3.28Å; E354-R427 IonicContact OE1-NH1 2.8Å; E354-R427 WeakPolarHBondContact OE2-CD 3.44Å; E354-R427 IonicContact OE2-CZ 3.39Å; E354-R427 IonicContact OE2-NE 3.9Å; E354-R427 IonicContact OE2-NH1 3.92Å; E354-R427 PolarHBondContact OE2-NH1 3.36Å; T423-R427 WeakPolarHBondContact O-CG 3.46Å; T423-R427 PolarHBondContact O-N 2.94Å; H424-R427 PolarHBondContact O-N 3.47Å; H424-R427 VanDerWaalsContact O-N 3.08Å; L425-R427 VanDerWaalsContact C-N 3.32Å; L425-R427 PolarHBondContact O-N 3.34Å; R427-V430 PolarHBondContact O-N 2.96Å; R427-I431 WeakPolarHBondContact O-CG1 3.13Å; R427-I431 PolarHBondContact O-N 3.16Å
428	V	89.9	Confident	90	Very high	24 Å²	24	60.4 Å²	60.4	15%	0.145	30%	0.301	C	S	.	.	H	α-helix	trans	-62.9	-43	177.8	172.3	0	0	0	0	110.7	E354 H424 L425 V430 I431 L432 H474	E354-V428 HydrophobicContact CG-CG2 4.43Å; H424-V428 WeakPolarHBondContact CE1-CG2 3.26Å; H424-V428 WeakPolarHBondContact O-CG2 3.42Å; H424-V428 PolarHBondContact O-N 3.22Å; L425-V428 PolarHBondContact O-N 3.05Å; V428-V430 VanDerWaalsContact C-N 3.32Å; V428-V430 PolarHBondContact O-N 3.33Å; V428-I431 PolarHBondContact O-N 2.57Å; V428-I431 VanDerWaalsContact O-N 3.15Å; V428-L432 HydrophobicContact CG1-CD1 3.75Å; V428-L432 HydrophobicContact CG1-CG 4.14Å; V428-L432 WeakPolarHBondContact O-CB 3.45Å; V428-L432 VanDerWaalsContact O-CG 3.26Å; V428-L432 WeakPolarHBondContact O-CG 3.36Å; V428-L432 PolarHBondContact O-N 3.3Å; V428-H474 WeakPolarHBondContact CG1-NE2 3.35Å
429	E	85.1	Confident	90.4	Very high	107 Å²	107	55.6 Å²	55.6	50%	0.5	28%	0.281	S	S	.	.	H	α-helix	trans	-55.2	-45.7	172	-178.8	-177.4	-179	0	0	111.7	L425 L432 N433	L425-E429 WeakPolarHBondContact O-CB 3.43Å; L425-E429 PolarHBondContact O-N 3.05Å; E429-L432 PolarHBondContact O-N 3.36Å; E429-N433 WeakPolarHBondContact CG-ND2 3.26Å; E429-N433 WeakPolarHBondContact O-CB 3.37Å; E429-N433 PolarHBondContact O-N 3.02Å; E429-N433 PolarHBondContact O-ND2 3.15Å
430	V	90.6	Very high	90.5	Very high	74 Å²	74	51.9 Å²	51.9	45%	0.448	27%	0.27	S	S	.	.	H	α-helix	trans	-66.6	-36.9	177.5	169.3	0	0	0	0	112.1	A426 R427 V428 N434	A426-V430 WeakPolarHBondContact O-CG2 3.35Å; A426-V430 PolarHBondContact O-N 2.78Å; R427-V430 PolarHBondContact O-N 2.96Å; V428-V430 VanDerWaalsContact C-N 3.32Å; V428-V430 PolarHBondContact O-N 3.33Å; V430-N434 WeakPolarHBondContact O-CB 3.34Å; V430-N434 PolarHBondContact O-N 3.25Å; V430-N434 VanDerWaalsContact O-N 3.08Å; V430-N434 PolarHBondContact O-ND2 2.95Å
431	I	89.1	Confident	90.8	Very high	30 Å²	30	55.9 Å²	55.9	15%	0.154	29%	0.289	C	S	.	.	H	α-helix	trans	-66.4	-49.2	175.5	-68.8	164.1	0	0	0	110.4	V350 E354 R427 V428 N433 N434 N435	V350-I431 HydrophobicContact CG1-CD1 3.7Å; V350-I431 HydrophobicContact CG1-CG1 3.65Å; E354-I431 HydrophobicContact CB-CD1 3.54Å; E354-I431 HydrophobicContact CG-CD1 3.88Å; R427-I431 WeakPolarHBondContact O-CG1 3.13Å; R427-I431 PolarHBondContact O-N 3.16Å; V428-I431 PolarHBondContact O-N 2.57Å; V428-I431 VanDerWaalsContact O-N 3.15Å; I431-N433 PolarHBondContact O-N 2.82Å; I431-N434 PolarHBondContact O-N 2.87Å; I431-N435 WeakPolarHBondContact CG2-ND2 3.41Å; I431-N435 WeakPolarHBondContact O-CB 3.36Å; I431-N435 PolarHBondContact O-N 3.35Å
432	L	89.9	Confident	91.1	Very high	10 Å²	10	57.8 Å²	57.8	5%	0.052	30%	0.297	C	S	.	.	H	α-helix	trans	-58.1	-50.3	178	-70.3	168.9	0	0	0	111.5	V428 E429 N434 N435 R436 K470 H474	V428-L432 HydrophobicContact CG1-CD1 3.75Å; V428-L432 HydrophobicContact CG1-CG 4.14Å; V428-L432 WeakPolarHBondContact O-CB 3.45Å; V428-L432 VanDerWaalsContact O-CG 3.26Å; V428-L432 WeakPolarHBondContact O-CG 3.36Å; V428-L432 PolarHBondContact O-N 3.3Å; E429-L432 PolarHBondContact O-N 3.36Å; L432-N434 VanDerWaalsContact C-N 3.34Å; L432-N434 PolarHBondContact O-N 3.18Å; L432-N435 PolarHBondContact O-N 3.28Å; L432-R436 VanDerWaalsContact O-CB 3.26Å; L432-R436 WeakPolarHBondContact O-CB 3.49Å; L432-R436 PolarHBondContact O-N 2.93Å; L432-K470 HydrophobicContact CD2-CB 4.08Å; L432-K470 HydrophobicContact CD2-CD 4.4Å; L432-K470 HydrophobicContact CD2-CG 3.88Å; L432-H474 HydrophobicContact CD1-CB 3.99Å
433	N	89.4	Confident	91.5	Very high	52 Å²	52	52.7 Å²	52.7	28%	0.278	27%	0.273	S	S	.	.	H	α-helix	trans	-60.5	-39.8	177.9	-81.9	-71.2	0	0	0	112.5	E429 I431 R436 R437	E429-N433 WeakPolarHBondContact CG-ND2 3.26Å; E429-N433 WeakPolarHBondContact O-CB 3.37Å; E429-N433 PolarHBondContact O-N 3.02Å; E429-N433 PolarHBondContact O-ND2 3.15Å; I431-N433 PolarHBondContact O-N 2.82Å; N433-R436 PolarHBondContact OD1-NH1 3.45Å; N433-R436 PolarHBondContact OD1-NH2 3.07Å; N433-R437 WeakPolarHBondContact O-CB 3.38Å; N433-R437 PolarHBondContact O-N 2.74Å; N433-R437 VanDerWaalsContact O-N 3.08Å
434	N	90.7	Very high	91.6	Very high	71 Å²	71	53.4 Å²	53.4	38%	0.38	28%	0.275	S	S	.	.	H	α-helix	trans	-70.1	-43.4	176.6	-83.3	-60.9	0	0	0	112.6	V430 I431 L432 R437 L438	V430-N434 WeakPolarHBondContact O-CB 3.34Å; V430-N434 PolarHBondContact O-N 3.25Å; V430-N434 VanDerWaalsContact O-N 3.08Å; V430-N434 PolarHBondContact O-ND2 2.95Å; I431-N434 PolarHBondContact O-N 2.87Å; L432-N434 VanDerWaalsContact C-N 3.34Å; L432-N434 PolarHBondContact O-N 3.18Å; N434-R437 PolarHBondContact O-N 3.49Å; N434-L438 WeakPolarHBondContact O-CB 3.37Å; N434-L438 PolarHBondContact O-N 3.27Å
435	N	91.6	Very high	91.9	Very high	68 Å²	68	56.7 Å²	56.7	36%	0.364	30%	0.296	S	S	.	.	H	α-helix	trans	-66.3	-42.3	-180	-73.3	-13.4	0	0	0	111.3	I431 L432 R437 L438 A439	I431-N435 WeakPolarHBondContact CG2-ND2 3.41Å; I431-N435 WeakPolarHBondContact O-CB 3.36Å; I431-N435 PolarHBondContact O-N 3.35Å; L432-N435 PolarHBondContact O-N 3.28Å; N435-R437 PolarHBondContact O-N 2.75Å; N435-L438 PolarHBondContact O-N 3Å; N435-A439 WeakPolarHBondContact O-CB 3.4Å; N435-A439 PolarHBondContact O-N 3.36Å
436	R	92.4	Very high	92.3	Very high	36 Å²	36	54.8 Å²	54.8	14%	0.136	29%	0.287	C	S	.	.	H	α-helix	trans	-57	-48.5	170.7	-172.9	-177	74	-130.8	-1.2	111.7	L432 N433 A439 L440 Y464 E468 D471 R507	L432-R436 VanDerWaalsContact O-CB 3.26Å; L432-R436 WeakPolarHBondContact O-CB 3.49Å; L432-R436 PolarHBondContact O-N 2.93Å; N433-R436 PolarHBondContact OD1-NH1 3.45Å; N433-R436 PolarHBondContact OD1-NH2 3.07Å; R436-A439 PolarHBondContact O-N 3.44Å; R436-L440 WeakPolarHBondContact O-CB 3.48Å; R436-L440 PolarHBondContact O-N 2.97Å; R436-Y464 HydrophobicContact CG-CE2 4.29Å; R436-E468 WeakPolarHBondContact CD-OE1 3.25Å; R436-E468 VanDerWaalsContact CD-OE2 3.26Å; R436-E468 WeakPolarHBondContact CD-OE2 3.23Å; R436-E468 HydrophobicContact CG-CG 4.5Å; R436-D471 IonicContact NH1-OD2 3.43Å; R436-D471 PolarHBondContact NH1-OD2 2.99Å; R436-R507 VanDerWaalsContact CD-CZ 3.46Å
437	R	92.6	Very high	92.4	Very high	126 Å²	126	53.9 Å²	53.9	48%	0.475	28%	0.276	S	S	.	.	H	α-helix	trans	-63.1	-44.2	178.8	-175.7	176	64.4	80.3	2.9	112	N433 N434 N435 L440 E441	N433-R437 WeakPolarHBondContact O-CB 3.38Å; N433-R437 PolarHBondContact O-N 2.74Å; N433-R437 VanDerWaalsContact O-N 3.08Å; N434-R437 PolarHBondContact O-N 3.49Å; N435-R437 PolarHBondContact O-N 2.75Å; R437-L440 PolarHBondContact O-N 2.83Å; R437-E441 WeakPolarHBondContact CD-OE1 3.09Å; R437-E441 HydrophobicContact CG-CG 4.44Å; R437-E441 VanDerWaalsContact CG-OE1 3.26Å; R437-E441 WeakPolarHBondContact CG-OE1 3.08Å; R437-E441 IonicContact CZ-OE1 3.21Å; R437-E441 IonicContact NE-OE1 2.98Å; R437-E441 IonicContact NH1-OE1 2.71Å; R437-E441 PolarHBondContact NH1-OE1 3.06Å; R437-E441 IonicContact NH1-OE2 3.96Å; R437-E441 PolarHBondContact NH1-OE2 2.99Å; R437-E441 WeakPolarHBondContact O-CB 3.37Å; R437-E441 WeakPolarHBondContact O-CG 3.33Å; R437-E441 PolarHBondContact O-N 3.04Å
438	L	94.2	Very high	92.4	Very high	94 Å²	94	59.8 Å²	59.8	49%	0.492	31%	0.305	S	S	.	.	H	α-helix	trans	-64.8	-42	178.3	-179	61.9	0	0	0	111.7	N434 N435 N442	N434-L438 WeakPolarHBondContact O-CB 3.37Å; N434-L438 PolarHBondContact O-N 3.27Å; N435-L438 PolarHBondContact O-N 3Å; L438-N442 WeakPolarHBondContact O-CB 3.49Å; L438-N442 PolarHBondContact O-N 3.28Å; L438-N442 PolarHBondContact O-ND2 3.46Å
439	A	95.8	Very high	92.5	Very high	13 Å²	13	60.2 Å²	60.2	11%	0.107	31%	0.311	C	S	.	.	H	α-helix	trans	-64.8	-40.9	175.3	0	0	0	0	0	111.6	N435 R436 N442 Y443 Y464 A467	N435-A439 WeakPolarHBondContact O-CB 3.4Å; N435-A439 PolarHBondContact O-N 3.36Å; R436-A439 PolarHBondContact O-N 3.44Å; A439-N442 PolarHBondContact O-N 3.47Å; A439-Y443 WeakPolarHBondContact O-CB 3.06Å; A439-Y443 PolarHBondContact O-N 2.93Å; A439-Y464 HydrophobicContact CB-CD2 4.3Å; A439-A467 HydrophobicContact CB-CB 4.32Å
440	L	94.3	Very high	92.7	Very high	51 Å²	51	63 Å²	63	27%	0.267	33%	0.33	S	S	.	.	H	α-helix	trans	-63.6	-45.6	175.7	-174.7	53.4	0	0	0	112.3	R436 R437 N442 Y443 L444 Y464	R436-L440 WeakPolarHBondContact O-CB 3.48Å; R436-L440 PolarHBondContact O-N 2.97Å; R437-L440 PolarHBondContact O-N 2.83Å; L440-N442 VanDerWaalsContact C-N 3.3Å; L440-N442 PolarHBondContact O-N 2.97Å; L440-Y443 HydrophobicContact CD1-CD1 4.25Å; L440-Y443 PolarHBondContact O-N 3.07Å; L440-L444 HydrophobicContact CD1-CD1 4.04Å; L440-L444 HydrophobicContact CD1-CG 3.99Å; L440-L444 HydrophobicContact CG-CD1 3.88Å; L440-L444 HydrophobicContact CG-CG 4.3Å; L440-L444 VanDerWaalsContact O-CB 3.26Å; L440-L444 WeakPolarHBondContact O-CB 3.35Å; L440-L444 VanDerWaalsContact O-CG 3.24Å; L440-L444 WeakPolarHBondContact O-CG 3.49Å; L440-L444 PolarHBondContact O-N 3.36Å; L440-Y464 HydrophobicContact CB-CD2 3.8Å; L440-Y464 HydrophobicContact CB-CE2 3.63Å; L440-Y464 HydrophobicContact CD1-CD2 4.18Å; L440-Y464 HydrophobicContact CD1-CE2 3.69Å; L440-Y464 HydrophobicContact CD2-CE2 4.26Å; L440-Y464 HydrophobicContact CG-CE2 4.03Å
441	E	95.4	Very high	92.6	Very high	88 Å²	88	64.2 Å²	64.2	41%	0.411	34%	0.339	S	S	.	.	H	α-helix	trans	-61	-39.3	176.9	-76.2	172.1	-164.9	0	0	111.3	R437 T445	R437-E441 WeakPolarHBondContact CD-OE1 3.09Å; R437-E441 HydrophobicContact CG-CG 4.44Å; R437-E441 VanDerWaalsContact CG-OE1 3.26Å; R437-E441 WeakPolarHBondContact CG-OE1 3.08Å; R437-E441 IonicContact CZ-OE1 3.21Å; R437-E441 IonicContact NE-OE1 2.98Å; R437-E441 IonicContact NH1-OE1 2.71Å; R437-E441 PolarHBondContact NH1-OE1 3.06Å; R437-E441 IonicContact NH1-OE2 3.96Å; R437-E441 PolarHBondContact NH1-OE2 2.99Å; R437-E441 WeakPolarHBondContact O-CB 3.37Å; R437-E441 WeakPolarHBondContact O-CG 3.33Å; R437-E441 PolarHBondContact O-N 3.04Å; E441-T445 WeakPolarHBondContact O-CB 3.35Å; E441-T445 PolarHBondContact O-N 2.91Å; E441-T445 PolarHBondContact O-OG1 3.24Å
442	N	95.9	Very high	92.6	Very high	90 Å²	90	64.4 Å²	64.4	48%	0.481	34%	0.342	S	S	.	.	H	α-helix	trans	-67.2	-45.9	174	-78.1	-58.5	0	0	0	112.8	L438 A439 L440 T445 A446	L438-N442 WeakPolarHBondContact O-CB 3.49Å; L438-N442 PolarHBondContact O-N 3.28Å; L438-N442 PolarHBondContact O-ND2 3.46Å; A439-N442 PolarHBondContact O-N 3.47Å; L440-N442 VanDerWaalsContact C-N 3.3Å; L440-N442 PolarHBondContact O-N 2.97Å; N442-T445 WeakPolarHBondContact O-CB 3.17Å; N442-T445 PolarHBondContact O-N 2.88Å; N442-A446 PolarHBondContact O-N 3.46Å
443	Y	95.8	Very high	92.7	Very high	0 Å²	0	69 Å²	69	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-62.9	-46.9	177.1	168.4	-117.4	0	0	0	112	A439 L440 T445 A446 V447 V457 A460 L461 S511 L514 L515	A439-Y443 WeakPolarHBondContact O-CB 3.06Å; A439-Y443 PolarHBondContact O-N 2.93Å; L440-Y443 HydrophobicContact CD1-CD1 4.25Å; L440-Y443 PolarHBondContact O-N 3.07Å; Y443-T445 PolarHBondContact O-N 3.29Å; Y443-A446 PolarHBondContact O-N 3.17Å; Y443-A446 VanDerWaalsContact O-N 3.08Å; Y443-V447 HydrophobicContact CD2-CG2 3.9Å; Y443-V447 HydrophobicContact CE2-CG2 3.45Å; Y443-V447 VanDerWaalsContact CE2-CG2 3.45Å; Y443-V447 WeakPolarHBondContact O-CG2 3.4Å; Y443-V447 PolarHBondContact O-N 3.47Å; Y443-V457 HydrophobicContact CE2-CG1 4.17Å; Y443-A460 HydrophobicContact CD2-CB 4.45Å; Y443-L461 HydrophobicContact CD2-CB 3.96Å; Y443-L461 HydrophobicContact CD2-CD1 4.44Å; Y443-L461 HydrophobicContact CE1-CD1 4.45Å; Y443-L461 HydrophobicContact CE2-CB 3.87Å; Y443-L461 HydrophobicContact CE2-CD1 3.98Å; Y443-L461 HydrophobicContact CE2-CG 4.4Å; Y443-S511 WeakPolarHBondContact CE1-O 3.19Å; Y443-S511 PolarHBondContact OH-O 2.92Å; Y443-L514 HydrophobicContact CE1-CD1 4.07Å; Y443-L515 HydrophobicContact CE2-CD2 4.19Å; Y443-L515 WeakPolarHBondContact OH-CD2 3.46Å; Y443-L515 WeakPolarHBondContact OH-CG 3.47Å
444	L	94.1	Very high	92.9	Very high	55 Å²	55	68 Å²	68	29%	0.288	36%	0.359	S	S	.	.	H	α-helix	trans	-57.6	-36.9	173.4	-75.2	172.9	0	0	0	112.1	L440 Q448 L514	L440-L444 HydrophobicContact CD1-CD1 4.04Å; L440-L444 HydrophobicContact CD1-CG 3.99Å; L440-L444 HydrophobicContact CG-CD1 3.88Å; L440-L444 HydrophobicContact CG-CG 4.3Å; L440-L444 VanDerWaalsContact O-CB 3.26Å; L440-L444 WeakPolarHBondContact O-CB 3.35Å; L440-L444 VanDerWaalsContact O-CG 3.24Å; L440-L444 WeakPolarHBondContact O-CG 3.49Å; L440-L444 PolarHBondContact O-N 3.36Å; L444-Q448 VanDerWaalsContact O-CB 3.28Å; L444-Q448 WeakPolarHBondContact O-CB 3.42Å; L444-Q448 VanDerWaalsContact O-CG 3.29Å; L444-Q448 WeakPolarHBondContact O-CG 3.42Å; L444-Q448 PolarHBondContact O-N 3.04Å; L444-Q448 VanDerWaalsContact O-N 3.11Å; L444-Q448 PolarHBondContact O-NE2 3.03Å; L444-L514 HydrophobicContact CD2-CD1 3.57Å
445	T	95.1	Very high	93.1	Very high	85 Å²	85	72.7 Å²	72.7	52%	0.521	38%	0.379	S	S	.	.	H	α-helix	trans	-71.6	-33.5	176.7	-59.4	0	0	0	0	112.3	E441 N442 Y443 A449	E441-T445 WeakPolarHBondContact O-CB 3.35Å; E441-T445 PolarHBondContact O-N 2.91Å; E441-T445 PolarHBondContact O-OG1 3.24Å; N442-T445 WeakPolarHBondContact O-CB 3.17Å; N442-T445 PolarHBondContact O-N 2.88Å; Y443-T445 PolarHBondContact O-N 3.29Å; T445-A449 PolarHBondContact O-N 2.89Å
446	A	94.5	Very high	93.2	Very high	3 Å²	3	75.6 Å²	75.6	3%	0.025	39%	0.385	C	S	.	.	H	α-helix	trans	-70.8	-44.1	174.9	0	0	0	0	0	112.1	N442 Y443 Q448 A449 R456 V457 A460	N442-A446 PolarHBondContact O-N 3.46Å; Y443-A446 PolarHBondContact O-N 3.17Å; Y443-A446 VanDerWaalsContact O-N 3.08Å; A446-Q448 VanDerWaalsContact C-N 3.31Å; A446-Q448 PolarHBondContact O-N 3.19Å; A446-A449 WeakPolarHBondContact O-CB 3.23Å; A446-A449 PolarHBondContact O-N 3.03Å; A446-R456 HydrophobicContact CB-CG 4.32Å; A446-V457 HydrophobicContact CB-CG2 3.95Å; A446-A460 HydrophobicContact CB-CB 4.15Å
447	V	92.4	Very high	93.3	Very high	31 Å²	31	73.9 Å²	73.9	19%	0.188	38%	0.378	C	S	.	.	H	α-helix	trans	-69.7	-26.2	179	175.4	0	0	0	0	112.5	Y443 V457 L515	Y443-V447 HydrophobicContact CD2-CG2 3.9Å; Y443-V447 HydrophobicContact CE2-CG2 3.45Å; Y443-V447 VanDerWaalsContact CE2-CG2 3.45Å; Y443-V447 WeakPolarHBondContact O-CG2 3.4Å; Y443-V447 PolarHBondContact O-N 3.47Å; V447-V457 HydrophobicContact CG2-CG1 3.78Å; V447-V457 HydrophobicContact CG2-CG2 4.14Å; V447-L515 HydrophobicContact CG2-CD2 3.82Å
448	Q	91.2	Very high	93.4	Very high	147 Å²	147	69 Å²	69	69%	0.687	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	10.3	177.8	-69.1	170.8	84	0	0	114.1	L444 A446	L444-Q448 VanDerWaalsContact O-CB 3.28Å; L444-Q448 WeakPolarHBondContact O-CB 3.42Å; L444-Q448 VanDerWaalsContact O-CG 3.29Å; L444-Q448 WeakPolarHBondContact O-CG 3.42Å; L444-Q448 PolarHBondContact O-N 3.04Å; L444-Q448 VanDerWaalsContact O-N 3.11Å; L444-Q448 PolarHBondContact O-NE2 3.03Å; A446-Q448 VanDerWaalsContact C-N 3.31Å; A446-Q448 PolarHBondContact O-N 3.19Å
449	A	92.3	Very high	93.4	Very high	33 Å²	33	69.7 Å²	69.7	27%	0.273	36%	0.362	S	S	.	.	S	Bend	trans	-70.3	151.4	171.1	0	0	0	0	0	111.4	T445 A446 P451 P452	T445-A449 PolarHBondContact O-N 2.89Å; A446-A449 WeakPolarHBondContact O-CB 3.23Å; A446-A449 PolarHBondContact O-N 3.03Å; A449-P451 VanDerWaalsContact C-C 3.48Å; A449-P451 CarbonylContact C-O 3.18Å; A449-P451 CarbonylContact O-C 3.48Å; A449-P451 VanDerWaalsContact O-C 3.24Å; A449-P452 WeakPolarHBondContact O-CD 3.47Å; A449-P452 VanDerWaalsContact O-N 3.08Å
450	D	90.1	Very high	93.4	Very high	167 Å²	167	69.7 Å²	69.7	89%	0.893	36%	0.362	S	S	*	.	S	Bend	trans	-124.6	104.1	179.4	-178.2	13.7	0	0	0	109.9
451	P	87.1	Confident	93.4	Very high	99 Å²	99	67.2 Å²	67.2	64%	0.643	35%	0.349	S	S	*	.	S	Bend	cis	-72.1	159.6	-9.3	32.8	-36.2	0	0	0	112.4	A449	A449-P451 VanDerWaalsContact C-C 3.48Å; A449-P451 CarbonylContact C-O 3.18Å; A449-P451 CarbonylContact O-C 3.48Å; A449-P451 VanDerWaalsContact O-C 3.24Å
452	P	89.4	Confident	93.3	Very high	34 Å²	34	68 Å²	68	22%	0.221	35%	0.352	C	S	.	.			trans	-66.1	151.5	169.5	29.1	-34.5	0	0	0	110.8	A449 L521	A449-P452 WeakPolarHBondContact O-CD 3.47Å; A449-P452 VanDerWaalsContact O-N 3.08Å; P452-L521 HydrophobicContact CB-CD1 4.44Å; P452-L521 HydrophobicContact CB-CD2 3.99Å; P452-L521 HydrophobicContact CG-CD2 4.26Å
453	Q	93.5	Very high	93.2	Very high	106 Å²	106	71.4 Å²	71.4	50%	0.495	36%	0.357	S	S	.	.			trans	-113.3	111.6	179.2	-72.1	-178.6	-45.2	0	0	109.4	E455 R456 V457	Q453-E455 PolarHBondContact O-N 3.22Å; Q453-R456 HydrophobicContact CB-CB 3.9Å; Q453-R456 PolarHBondContact O-N 2.85Å; Q453-R456 VanDerWaalsContact O-N 3.14Å; Q453-V457 WeakPolarHBondContact O-CG2 3.34Å; Q453-V457 PolarHBondContact O-N 2.65Å
454	P	93.3	Very high	93.2	Very high	30 Å²	30	71.5 Å²	71.5	20%	0.195	36%	0.358	C	S	.	.	H	α-helix	trans	-52.3	-55.7	-173.2	-28.5	34.1	0	0	0	113.9	R456 V457 L458 L521 E524 L525	P454-R456 VanDerWaalsContact C-N 3.27Å; P454-R456 PolarHBondContact O-N 2.78Å; P454-V457 PolarHBondContact O-N 2.9Å; P454-V457 VanDerWaalsContact O-N 3.12Å; P454-L458 WeakPolarHBondContact O-CB 3.24Å; P454-L458 PolarHBondContact O-N 2.76Å; P454-L521 HydrophobicContact CB-CD1 4.21Å; P454-L521 HydrophobicContact CG-CD1 4.06Å; P454-E524 HydrophobicContact CB-CG 4.43Å; P454-E524 VanDerWaalsContact CG-CD 3.46Å; P454-E524 HydrophobicContact CG-CG 4.41Å; P454-E524 WeakPolarHBondContact CG-OE2 3.45Å; P454-L525 HydrophobicContact CB-CD2 3.84Å; P454-L525 HydrophobicContact CB-CG 4.22Å
455	E	93.6	Very high	93	Very high	170 Å²	170	68.9 Å²	68.9	79%	0.794	34%	0.344	S	S	*	.	H	α-helix	trans	-52.9	-42.8	178.2	-62.1	170	173.3	0	0	112.7	Q453 L458 Q459	Q453-E455 PolarHBondContact O-N 3.22Å; E455-L458 PolarHBondContact O-N 3.22Å; E455-Q459 WeakPolarHBondContact O-CB 3.36Å; E455-Q459 PolarHBondContact O-N 2.76Å
456	R	94.8	Very high	92.8	Very high	129 Å²	129	67.2 Å²	67.2	49%	0.487	34%	0.339	S	S	.	.	H	α-helix	trans	-74.4	-35.2	-178.1	-173.6	178.5	174.6	-172.2	-2.9	112.3	A446 Q453 P454 A460	A446-R456 HydrophobicContact CB-CG 4.32Å; Q453-R456 HydrophobicContact CB-CB 3.9Å; Q453-R456 PolarHBondContact O-N 2.85Å; Q453-R456 VanDerWaalsContact O-N 3.14Å; P454-R456 VanDerWaalsContact C-N 3.27Å; P454-R456 PolarHBondContact O-N 2.78Å; R456-A460 VanDerWaalsContact O-CB 3.3Å; R456-A460 WeakPolarHBondContact O-CB 3.43Å; R456-A460 PolarHBondContact O-N 3.31Å; R456-A460 VanDerWaalsContact O-N 3.08Å
457	V	94.8	Very high	92.8	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-64.8	-46.5	171.9	168.5	0	0	0	0	109.7	Y443 A446 V447 Q453 P454 A460 L461 L515 L521 L525	Y443-V457 HydrophobicContact CE2-CG1 4.17Å; A446-V457 HydrophobicContact CB-CG2 3.95Å; V447-V457 HydrophobicContact CG2-CG1 3.78Å; V447-V457 HydrophobicContact CG2-CG2 4.14Å; Q453-V457 WeakPolarHBondContact O-CG2 3.34Å; Q453-V457 PolarHBondContact O-N 2.65Å; P454-V457 PolarHBondContact O-N 2.9Å; P454-V457 VanDerWaalsContact O-N 3.12Å; V457-A460 PolarHBondContact O-N 3.04Å; V457-L461 WeakPolarHBondContact O-CB 3.44Å; V457-L461 PolarHBondContact O-N 3.14Å; V457-L515 HydrophobicContact CG1-CD2 3.66Å; V457-L521 HydrophobicContact CG1-CD2 4.33Å; V457-L521 HydrophobicContact CG2-CD1 4.44Å; V457-L521 HydrophobicContact CG2-CD2 4.26Å; V457-L525 HydrophobicContact CB-CD1 4.15Å; V457-L525 HydrophobicContact CG1-CD1 3.82Å
458	L	93.6	Very high	92.7	Very high	23 Å²	23	66.4 Å²	66.4	12%	0.12	34%	0.336	C	S	.	.	H	α-helix	trans	-62	-47.3	177.4	-177	66.8	0	0	0	112.1	P454 E455 A460 L461 K462 L525 D528	P454-L458 WeakPolarHBondContact O-CB 3.24Å; P454-L458 PolarHBondContact O-N 2.76Å; E455-L458 PolarHBondContact O-N 3.22Å; L458-A460 VanDerWaalsContact C-N 3.32Å; L458-A460 PolarHBondContact O-N 3.06Å; L458-L461 PolarHBondContact O-N 2.88Å; L458-K462 WeakPolarHBondContact O-CG 3.07Å; L458-K462 PolarHBondContact O-N 2.68Å; L458-L525 HydrophobicContact CB-CD2 4.09Å; L458-L525 HydrophobicContact CD2-CD2 4.5Å; L458-D528 HydrophobicContact CD1-CB 3.75Å; L458-D528 HydrophobicContact CD2-CB 3.81Å; L458-D528 WeakPolarHBondContact CD2-OD2 3.35Å; L458-D528 HydrophobicContact CG-CB 4.45Å
459	Q	95.3	Very high	92.6	Very high	109 Å²	109	59.6 Å²	59.6	51%	0.509	30%	0.304	S	S	.	.	H	α-helix	trans	-63.3	-38.6	178.4	-168	-172.5	62.3	0	0	111.9	E455 R463	E455-Q459 WeakPolarHBondContact O-CB 3.36Å; E455-Q459 PolarHBondContact O-N 2.76Å; Q459-R463 WeakPolarHBondContact O-CG 3.29Å; Q459-R463 PolarHBondContact O-N 2.91Å
460	A	95.7	Very high	92.4	Very high	13 Å²	13	64.7 Å²	64.7	11%	0.107	32%	0.32	C	S	.	.	H	α-helix	trans	-70.4	-35.6	175.8	0	0	0	0	0	112.4	Y443 A446 R456 V457 L458 Y464	Y443-A460 HydrophobicContact CD2-CB 4.45Å; A446-A460 HydrophobicContact CB-CB 4.15Å; R456-A460 VanDerWaalsContact O-CB 3.3Å; R456-A460 WeakPolarHBondContact O-CB 3.43Å; R456-A460 PolarHBondContact O-N 3.31Å; R456-A460 VanDerWaalsContact O-N 3.08Å; V457-A460 PolarHBondContact O-N 3.04Å; L458-A460 VanDerWaalsContact C-N 3.32Å; L458-A460 PolarHBondContact O-N 3.06Å; A460-Y464 PolarHBondContact O-N 3.14Å
461	L	93.8	Very high	92.4	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.4	-47	173.2	178.8	63.3	0	0	0	111.7	Y443 V457 L458 R463 Y464 M465 L512 L515 I529 L532	Y443-L461 HydrophobicContact CD2-CB 3.96Å; Y443-L461 HydrophobicContact CD2-CD1 4.44Å; Y443-L461 HydrophobicContact CE1-CD1 4.45Å; Y443-L461 HydrophobicContact CE2-CB 3.87Å; Y443-L461 HydrophobicContact CE2-CD1 3.98Å; Y443-L461 HydrophobicContact CE2-CG 4.4Å; V457-L461 WeakPolarHBondContact O-CB 3.44Å; V457-L461 PolarHBondContact O-N 3.14Å; L458-L461 PolarHBondContact O-N 2.88Å; L461-R463 VanDerWaalsContact C-N 3.31Å; L461-R463 PolarHBondContact O-N 2.93Å; L461-Y464 WeakPolarHBondContact O-CB 3.27Å; L461-Y464 PolarHBondContact O-N 3.21Å; L461-M465 HydrophobicContact CD1-CG 4.06Å; L461-M465 HydrophobicContact CD1-SD 3.96Å; L461-M465 HydrophobicContact CD2-SD 4.41Å; L461-M465 HydrophobicContact CG-CG 4.4Å; L461-M465 HydrophobicContact CG-SD 3.94Å; L461-M465 PolarHBondContact O-N 2.88Å; L461-L512 HydrophobicContact CD1-CD2 3.95Å; L461-L512 HydrophobicContact CD2-CD2 3.87Å; L461-L512 HydrophobicContact CG-CD2 4.47Å; L461-L515 HydrophobicContact CD2-CD1 4.24Å; L461-I529 HydrophobicContact CD2-CG1 4.01Å; L461-L532 HydrophobicContact CD2-CD2 4.42Å; L461-L532 HydrophobicContact CG-CD2 4.34Å
462	K	93.1	Very high	92.5	Very high	105 Å²	105	53.4 Å²	53.4	46%	0.457	25%	0.252	S	S	.	.	H	α-helix	trans	-53.7	-47.2	174.9	-75.9	-175.2	176	-168.7	0	111.2	L458 Y464 M465 A466 L532	L458-K462 WeakPolarHBondContact O-CG 3.07Å; L458-K462 PolarHBondContact O-N 2.68Å; K462-Y464 VanDerWaalsContact C-N 3.33Å; K462-Y464 PolarHBondContact O-N 3.22Å; K462-M465 PolarHBondContact O-N 2.91Å; K462-A466 WeakPolarHBondContact O-CB 3.42Å; K462-A466 PolarHBondContact O-N 2.94Å; K462-L532 HydrophobicContact CG-CD1 3.96Å; K462-L532 HydrophobicContact CG-CD2 3.62Å; K462-L532 HydrophobicContact CG-CG 4.43Å
463	R	94.2	Very high	92.3	Very high	160 Å²	160	55.5 Å²	55.5	60%	0.604	26%	0.256	S	S	*	.	H	α-helix	trans	-64	-32.5	176	-71.6	176.2	179.1	178	1.6	113.8	Q459 L461 A467	Q459-R463 WeakPolarHBondContact O-CG 3.29Å; Q459-R463 PolarHBondContact O-N 2.91Å; L461-R463 VanDerWaalsContact C-N 3.31Å; L461-R463 PolarHBondContact O-N 2.93Å; R463-A467 PolarHBondContact O-N 2.94Å
464	Y	94.6	Very high	92	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-73.7	-45.2	175.5	173.4	-95.6	0	0	0	112.4	R436 A439 L440 A460 L461 K462 A467 E468 R507 S511	R436-Y464 HydrophobicContact CG-CE2 4.29Å; A439-Y464 HydrophobicContact CB-CD2 4.3Å; L440-Y464 HydrophobicContact CB-CD2 3.8Å; L440-Y464 HydrophobicContact CB-CE2 3.63Å; L440-Y464 HydrophobicContact CD1-CD2 4.18Å; L440-Y464 HydrophobicContact CD1-CE2 3.69Å; L440-Y464 HydrophobicContact CD2-CE2 4.26Å; L440-Y464 HydrophobicContact CG-CE2 4.03Å; A460-Y464 PolarHBondContact O-N 3.14Å; L461-Y464 WeakPolarHBondContact O-CB 3.27Å; L461-Y464 PolarHBondContact O-N 3.21Å; K462-Y464 VanDerWaalsContact C-N 3.33Å; K462-Y464 PolarHBondContact O-N 3.22Å; Y464-A467 WeakPolarHBondContact O-CB 3.11Å; Y464-A467 PolarHBondContact O-N 2.8Å; Y464-A467 VanDerWaalsContact O-N 3.14Å; Y464-E468 HydrophobicContact CD1-CG 4.25Å; Y464-E468 HydrophobicContact CE1-CG 3.75Å; Y464-E468 HydrophobicContact CE2-CG 4.23Å; Y464-E468 PolarHBondContact O-N 2.92Å; Y464-E468 PolarHBondContact OH-OE1 3.3Å; Y464-R507 PolarHBondContact OH-O 3Å; Y464-S511 WeakPolarHBondContact CE1-OG 3.39Å
465	M	91.9	Very high	91.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.1	-45.1	178.1	-70.3	179.7	63.3	0	0	111.1	L461 K462 A467 E468 Q469 M508 L512 L532 V533 E536	L461-M465 HydrophobicContact CD1-CG 4.06Å; L461-M465 HydrophobicContact CD1-SD 3.96Å; L461-M465 HydrophobicContact CD2-SD 4.41Å; L461-M465 HydrophobicContact CG-CG 4.4Å; L461-M465 HydrophobicContact CG-SD 3.94Å; L461-M465 PolarHBondContact O-N 2.88Å; K462-M465 PolarHBondContact O-N 2.91Å; M465-A467 PolarHBondContact O-N 2.71Å; M465-E468 PolarHBondContact O-N 3.11Å; M465-E468 VanDerWaalsContact O-N 3.14Å; M465-Q469 WeakPolarHBondContact O-CB 3.25Å; M465-Q469 WeakPolarHBondContact O-CG 3.42Å; M465-Q469 PolarHBondContact O-N 3.11Å; M465-M508 HydrophobicContact CE-SD 4.02Å; M465-M508 HydrophobicContact CG-CG 4.47Å; M465-L512 HydrophobicContact SD-CD2 4.25Å; M465-L532 HydrophobicContact CE-CD2 4.27Å; M465-L532 HydrophobicContact CE-CG 3.94Å; M465-L532 HydrophobicContact SD-CD2 3.49Å; M465-L532 WeakPolarHBondContact SD-CD2 3.12Å; M465-L532 HydrophobicContact SD-CG 3.86Å; M465-V533 HydrophobicContact CE-CG2 3.76Å; M465-E536 WeakPolarHBondContact CB-OE1 3.14Å; M465-E536 HydrophobicContact CE-CB 4.21Å; M465-E536 HydrophobicContact CE-CG 4.01Å
466	A	90.9	Very high	91.6	Very high	50 Å²	50	44.4 Å²	44.4	41%	0.413	20%	0.203	S	C	.	.	H	α-helix	trans	-57.5	-34.4	173	0	0	0	0	0	113.4	K462 K470	K462-A466 WeakPolarHBondContact O-CB 3.42Å; K462-A466 PolarHBondContact O-N 2.94Å; A466-K470 WeakPolarHBondContact O-CB 3.33Å; A466-K470 PolarHBondContact O-N 3.36Å
467	A	92.7	Very high	91.3	Very high	17 Å²	17	45.8 Å²	45.8	14%	0.14	21%	0.208	C	C	.	.	H	α-helix	trans	-71.3	-43.5	176	0	0	0	0	0	112.5	A439 R463 Y464 M465 Q469 K470 D471	A439-A467 HydrophobicContact CB-CB 4.32Å; R463-A467 PolarHBondContact O-N 2.94Å; Y464-A467 WeakPolarHBondContact O-CB 3.11Å; Y464-A467 PolarHBondContact O-N 2.8Å; Y464-A467 VanDerWaalsContact O-N 3.14Å; M465-A467 PolarHBondContact O-N 2.71Å; A467-Q469 VanDerWaalsContact C-N 3.27Å; A467-Q469 PolarHBondContact O-N 3.07Å; A467-K470 PolarHBondContact O-N 2.98Å; A467-D471 PolarHBondContact O-N 3.36Å; A467-D471 VanDerWaalsContact O-N 3.16Å
468	E	91	Very high	90.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.4	-36.1	172.1	-68.3	-73.6	-165.2	0	0	112	R436 Y464 M465 D471 R472 I504 R507 M508	R436-E468 WeakPolarHBondContact CD-OE1 3.25Å; R436-E468 VanDerWaalsContact CD-OE2 3.26Å; R436-E468 WeakPolarHBondContact CD-OE2 3.23Å; R436-E468 HydrophobicContact CG-CG 4.5Å; Y464-E468 HydrophobicContact CD1-CG 4.25Å; Y464-E468 HydrophobicContact CE1-CG 3.75Å; Y464-E468 HydrophobicContact CE2-CG 4.23Å; Y464-E468 PolarHBondContact O-N 2.92Å; Y464-E468 PolarHBondContact OH-OE1 3.3Å; M465-E468 PolarHBondContact O-N 3.11Å; M465-E468 VanDerWaalsContact O-N 3.14Å; E468-D471 VanDerWaalsContact O-CB 3.31Å; E468-D471 WeakPolarHBondContact O-CB 3.46Å; E468-D471 PolarHBondContact O-N 2.98Å; E468-R472 WeakPolarHBondContact O-CB 3.46Å; E468-R472 PolarHBondContact O-N 3.04Å; E468-I504 HydrophobicContact CB-CG2 4.24Å; E468-R507 WeakPolarHBondContact OE1-CD 3.34Å; E468-R507 WeakPolarHBondContact OE1-CG 3.26Å; E468-R507 IonicContact OE1-CZ 3.71Å; E468-R507 IonicContact OE1-NE 3.3Å; E468-R507 PolarHBondContact OE1-NE 2.92Å; E468-R507 IonicContact OE1-NH2 3.38Å; E468-R507 IonicContact OE2-CZ 2.66Å; E468-R507 VanDerWaalsContact OE2-CZ 3.3Å; E468-R507 IonicContact OE2-NE 2.92Å; E468-R507 PolarHBondContact OE2-NE 2.67Å; E468-R507 VanDerWaalsContact OE2-NE 3.11Å; E468-R507 IonicContact OE2-NH2 4Å; E468-R507 PolarHBondContact OE2-NH2 3.36Å; E468-M508 HydrophobicContact CB-CE 3.88Å
469	Q	89.2	Confident	90.5	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.019	22%	0.216	C	C	.	.	H	α-helix	trans	-79.8	-28.8	-177.4	-68.5	-86.7	79.9	0	0	112	M465 A467 R472 R473 M508 E536	M465-Q469 WeakPolarHBondContact O-CB 3.25Å; M465-Q469 WeakPolarHBondContact O-CG 3.42Å; M465-Q469 PolarHBondContact O-N 3.11Å; A467-Q469 VanDerWaalsContact C-N 3.27Å; A467-Q469 PolarHBondContact O-N 3.07Å; Q469-R472 PolarHBondContact O-N 2.81Å; Q469-R473 WeakPolarHBondContact O-CB 3.23Å; Q469-R473 WeakPolarHBondContact O-CG 3.48Å; Q469-R473 PolarHBondContact O-N 3.28Å; Q469-M508 HydrophobicContact CG-CE 3.89Å; Q469-E536 VanDerWaalsContact CG-OE2 3.23Å; Q469-E536 WeakPolarHBondContact CG-OE2 3.37Å; Q469-E536 PolarHBondContact NE2-O 3.44Å; Q469-E536 PolarHBondContact NE2-OE2 2.82Å
470	K	88.4	Confident	90.1	Very high	140 Å²	140	45.1 Å²	45.1	61%	0.609	20%	0.204	S	C	*	.	H	α-helix	trans	-65.3	-39.7	166	-160.4	168.6	-176	160.6	0	111.6	L432 A466 A467 H474	L432-K470 HydrophobicContact CD2-CB 4.08Å; L432-K470 HydrophobicContact CD2-CD 4.4Å; L432-K470 HydrophobicContact CD2-CG 3.88Å; A466-K470 WeakPolarHBondContact O-CB 3.33Å; A466-K470 PolarHBondContact O-N 3.36Å; A467-K470 PolarHBondContact O-N 2.98Å; K470-H474 VanDerWaalsContact O-CB 3.25Å; K470-H474 WeakPolarHBondContact O-CB 3.36Å; K470-H474 PolarHBondContact O-N 3.29Å
471	D	89.4	Confident	89.6	Confident	6 Å²	6	48 Å²	48	3%	0.032	21%	0.214	C	C	.	.	H	α-helix	trans	-61.2	-44.2	172.8	-158.3	5.8	0	0	0	110.9	R436 A467 E468 T475 H500 I504 R507	R436-D471 IonicContact NH1-OD2 3.43Å; R436-D471 PolarHBondContact NH1-OD2 2.99Å; A467-D471 PolarHBondContact O-N 3.36Å; A467-D471 VanDerWaalsContact O-N 3.16Å; E468-D471 VanDerWaalsContact O-CB 3.31Å; E468-D471 WeakPolarHBondContact O-CB 3.46Å; E468-D471 PolarHBondContact O-N 2.98Å; D471-T475 WeakPolarHBondContact O-CB 3.45Å; D471-T475 PolarHBondContact O-N 3.06Å; D471-T475 PolarHBondContact O-OG1 3.01Å; D471-H500 IonicContact OD1-CE1 3.08Å; D471-H500 PolarHBondContact OD1-CE1 2.9Å; D471-H500 IonicContact OD2-CE1 3.76Å; D471-I504 HydrophobicContact CB-CD1 4.38Å; D471-R507 IonicContact OD2-NH2 2.7Å; D471-R507 PolarHBondContact OD2-NH2 3.3Å; D471-R507 VanDerWaalsContact OD2-NH2 3.08Å
472	R	88.6	Confident	89.2	Confident	24 Å²	24	48.5 Å²	48.5	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-64.4	-51.2	176.2	-162	-173.7	-176.4	-81.7	-9.6	113.4	E468 Q469 T475 L476 L501 I504 M544	E468-R472 WeakPolarHBondContact O-CB 3.46Å; E468-R472 PolarHBondContact O-N 3.04Å; Q469-R472 PolarHBondContact O-N 2.81Å; R472-T475 WeakPolarHBondContact O-CB 3.28Å; R472-T475 PolarHBondContact O-N 3.15Å; R472-L476 VanDerWaalsContact NH1-CD1 3.27Å; R472-L476 PolarHBondContact O-N 2.88Å; R472-L501 HydrophobicContact CG-CD2 3.62Å; R472-I504 HydrophobicContact CB-CD1 4.25Å; R472-I504 HydrophobicContact CB-CG2 4.38Å; R472-M544 VanDerWaalsContact NH2-CG 3.3Å; R472-M544 PolarHBondContact NH2-SD 2.93Å
473	R	87.3	Confident	88.8	Confident	78 Å²	78	45.8 Å²	45.8	29%	0.294	21%	0.209	S	C	.	.	H	α-helix	trans	-64.8	-39.1	-179.5	-71	-170.7	-69	-149.3	11.9	111.2	Q469 L476 R477 D539 L543	Q469-R473 WeakPolarHBondContact O-CB 3.23Å; Q469-R473 WeakPolarHBondContact O-CG 3.48Å; Q469-R473 PolarHBondContact O-N 3.28Å; R473-L476 PolarHBondContact O-N 3.23Å; R473-R477 WeakPolarHBondContact O-CB 3.36Å; R473-R477 WeakPolarHBondContact O-CG 3.49Å; R473-R477 PolarHBondContact O-N 2.87Å; R473-D539 IonicContact CZ-OD2 3.3Å; R473-D539 IonicContact NH1-OD2 2.9Å; R473-D539 PolarHBondContact NH1-OD2 3.02Å; R473-L543 HydrophobicContact CG-CD2 4.42Å
474	H	87.1	Confident	88.4	Confident	56 Å²	56	42.1 Å²	42.1	26%	0.259	21%	0.213	S	C	.	.	H	α-helix	trans	-61.6	-46.8	171.7	175.6	-105.9	0	0	0	112.2	V428 L432 K470 L476 R477 H478	V428-H474 WeakPolarHBondContact CG1-NE2 3.35Å; L432-H474 HydrophobicContact CD1-CB 3.99Å; K470-H474 VanDerWaalsContact O-CB 3.25Å; K470-H474 WeakPolarHBondContact O-CB 3.36Å; K470-H474 PolarHBondContact O-N 3.29Å; H474-L476 VanDerWaalsContact C-N 3.31Å; H474-L476 PolarHBondContact O-N 2.81Å; H474-R477 PolarHBondContact O-N 3.4Å; H474-H478 WeakPolarHBondContact O-CB 3.45Å; H474-H478 PolarHBondContact O-N 2.71Å
475	T	89.1	Confident	87.9	Confident	17 Å²	17	46.3 Å²	46.3	10%	0.104	24%	0.239	C	C	.	.	H	α-helix	trans	-57.8	-41.5	177.7	-62.3	0	0	0	0	112.2	D471 R472 Y479 V497 H500 L501	D471-T475 WeakPolarHBondContact O-CB 3.45Å; D471-T475 PolarHBondContact O-N 3.06Å; D471-T475 PolarHBondContact O-OG1 3.01Å; R472-T475 WeakPolarHBondContact O-CB 3.28Å; R472-T475 PolarHBondContact O-N 3.15Å; T475-Y479 PolarHBondContact O-N 3.31Å; T475-V497 HydrophobicContact CG2-CG1 4.13Å; T475-H500 HydrophobicContact CG2-CB 4.46Å; T475-H500 PolarHBondContact OG1-ND1 2.03Å; T475-L501 HydrophobicContact CG2-CD2 3.92Å; T475-L501 HydrophobicContact CG2-CG 4.09Å
476	L	89.1	Confident	87.4	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-72.5	-49.6	178.3	-74.3	172.4	0	0	0	112.8	R472 R473 H474 H478 Y479 Q480 L501 L543 M544	R472-L476 VanDerWaalsContact NH1-CD1 3.27Å; R472-L476 PolarHBondContact O-N 2.88Å; R473-L476 PolarHBondContact O-N 3.23Å; H474-L476 VanDerWaalsContact C-N 3.31Å; H474-L476 PolarHBondContact O-N 2.81Å; L476-H478 VanDerWaalsContact C-N 3.29Å; L476-H478 PolarHBondContact O-N 3.31Å; L476-Y479 CarbonylContact O-C 3.55Å; L476-Y479 WeakPolarHBondContact O-CA 3.32Å; L476-Y479 WeakPolarHBondContact O-CB 3.39Å; L476-Y479 PolarHBondContact O-N 3.18Å; L476-Q480 WeakPolarHBondContact O-CG 3.46Å; L476-Q480 PolarHBondContact O-N 2.83Å; L476-L501 HydrophobicContact CD2-CD1 3.7Å; L476-L501 HydrophobicContact CD2-CD2 4.36Å; L476-L501 HydrophobicContact CG-CD1 4.33Å; L476-L501 HydrophobicContact CG-CD2 4.08Å; L476-L543 HydrophobicContact CB-CD2 3.78Å; L476-L543 HydrophobicContact CD1-CB 4.11Å; L476-L543 HydrophobicContact CD1-CD2 3.82Å; L476-L543 HydrophobicContact CG-CD2 4.46Å; L476-M544 HydrophobicContact CD1-SD 4.09Å; L476-M544 HydrophobicContact CD2-SD 3.97Å
477	R	86.7	Confident	87.3	Confident	157 Å²	157	51 Å²	51	59%	0.592	26%	0.262	S	S	*	.	H	α-helix	trans	-59.1	-39.6	179.1	-71.6	177	-179.8	165.4	-2.2	112.1	R473 H474 Y479 Q480 H481	R473-R477 WeakPolarHBondContact O-CB 3.36Å; R473-R477 WeakPolarHBondContact O-CG 3.49Å; R473-R477 PolarHBondContact O-N 2.87Å; H474-R477 PolarHBondContact O-N 3.4Å; R477-Y479 VanDerWaalsContact C-N 3.34Å; R477-Y479 PolarHBondContact O-N 3.33Å; R477-Q480 PolarHBondContact O-N 3.46Å; R477-H481 PolarHBondContact O-N 3.19Å
478	H	85.6	Confident	87.1	Confident	56 Å²	56	57.7 Å²	57.7	26%	0.259	29%	0.29	S	S	.	.	H	α-helix	trans	-62.1	-39.8	173	-177.5	63.5	0	0	0	112.5	H474 L476 I482	H474-H478 WeakPolarHBondContact O-CB 3.45Å; H474-H478 PolarHBondContact O-N 2.71Å; L476-H478 VanDerWaalsContact C-N 3.29Å; L476-H478 PolarHBondContact O-N 3.31Å; H478-I482 VanDerWaalsContact O-CG1 3.28Å; H478-I482 WeakPolarHBondContact O-CG1 3.41Å; H478-I482 PolarHBondContact O-N 3.19Å
479	Y	86.8	Confident	86.8	Confident	12 Å²	12	62 Å²	62	5%	0.047	31%	0.308	C	S	.	.	H	α-helix	trans	-67.3	-43.3	174.9	-179	-104.4	0	0	0	112	T475 L476 R477 I482 V483 A490 K494 V497 F548	T475-Y479 PolarHBondContact O-N 3.31Å; L476-Y479 CarbonylContact O-C 3.55Å; L476-Y479 WeakPolarHBondContact O-CA 3.32Å; L476-Y479 WeakPolarHBondContact O-CB 3.39Å; L476-Y479 PolarHBondContact O-N 3.18Å; R477-Y479 VanDerWaalsContact C-N 3.34Å; R477-Y479 PolarHBondContact O-N 3.33Å; Y479-I482 CarbonylContact O-C 3.52Å; Y479-I482 PolarHBondContact O-N 3.19Å; Y479-V483 HydrophobicContact CD1-CG2 4.03Å; Y479-V483 HydrophobicContact CE1-CG2 3.6Å; Y479-V483 HydrophobicContact CE2-CG2 4.18Å; Y479-V483 HydrophobicContact CG-CG2 4.47Å; Y479-V483 WeakPolarHBondContact O-CG2 3.43Å; Y479-V483 PolarHBondContact O-N 2.85Å; Y479-A490 HydrophobicContact CE2-CB 4.2Å; Y479-K494 HydrophobicContact CE2-CB 4.19Å; Y479-V497 HydrophobicContact CD2-CB 4.32Å; Y479-V497 HydrophobicContact CD2-CG1 4.29Å; Y479-V497 HydrophobicContact CD2-CG2 3.82Å; Y479-V497 HydrophobicContact CG-CG1 4.12Å; Y479-V497 HydrophobicContact CG-CG2 4.28Å; Y479-F548 HydrophobicContact CE1-CE1 4.5Å
480	Q	87.8	Confident	86.6	Confident	51 Å²	51	61.9 Å²	61.9	24%	0.238	31%	0.309	C	S	.	.	H	α-helix	trans	-57.7	-51.2	176.6	-69.6	171.8	-80.5	0	0	111.8	L476 R477 I482 V483 A484 S547	L476-Q480 WeakPolarHBondContact O-CG 3.46Å; L476-Q480 PolarHBondContact O-N 2.83Å; R477-Q480 PolarHBondContact O-N 3.46Å; Q480-I482 VanDerWaalsContact C-N 3.29Å; Q480-I482 PolarHBondContact O-N 3.16Å; Q480-V483 WeakPolarHBondContact O-CB 3.17Å; Q480-V483 PolarHBondContact O-N 2.97Å; Q480-V483 VanDerWaalsContact O-N 3.08Å; Q480-A484 PolarHBondContact O-N 2.66Å; Q480-S547 WeakPolarHBondContact CG-OG 3.48Å
481	H	83.8	Confident	86.4	Confident	72 Å²	72	60.7 Å²	60.7	33%	0.333	31%	0.305	S	S	.	.	H	α-helix	trans	-55.8	-42.6	174.8	164	-73.6	0	0	0	111.8	E258 R477 A484 V485	E258-H481 IonicContact OE1-CD2 2.81Å; R477-H481 PolarHBondContact O-N 3.19Å; H481-A484 PolarHBondContact O-N 3.29Å; H481-V485 WeakPolarHBondContact O-CB 3.31Å; H481-V485 WeakPolarHBondContact O-CG2 3.46Å; H481-V485 PolarHBondContact O-N 3.06Å
482	I	85.3	Confident	86.4	Confident	11 Å²	11	67.3 Å²	67.3	6%	0.056	34%	0.336	C	S	.	.	H	α-helix	trans	-73.8	-27.7	178.9	-59.4	-71.6	0	0	0	112.2	H478 Y479 Q480 A484 D486 K489 A490 M493	H478-I482 VanDerWaalsContact O-CG1 3.28Å; H478-I482 WeakPolarHBondContact O-CG1 3.41Å; H478-I482 PolarHBondContact O-N 3.19Å; Y479-I482 CarbonylContact O-C 3.52Å; Y479-I482 PolarHBondContact O-N 3.19Å; Q480-I482 VanDerWaalsContact C-N 3.29Å; Q480-I482 PolarHBondContact O-N 3.16Å; I482-A484 VanDerWaalsContact C-N 3.33Å; I482-D486 CarbonylContact O-C 3.47Å; I482-D486 WeakPolarHBondContact O-CA 3.49Å; I482-D486 PolarHBondContact O-N 3.17Å; I482-K489 HydrophobicContact CG2-CB 4.15Å; I482-K489 HydrophobicContact CG2-CD 4.02Å; I482-K489 HydrophobicContact CG2-CG 3.99Å; I482-A490 HydrophobicContact CG2-CB 4.25Å; I482-M493 HydrophobicContact CB-CE 3.92Å; I482-M493 HydrophobicContact CG1-CE 4.03Å; I482-M493 HydrophobicContact CG2-CE 3.56Å
483	V	85.8	Confident	86.1	Confident	48 Å²	48	67.7 Å²	67.7	29%	0.291	34%	0.339	S	S	.	.	H	α-helix	trans	-63	-40.6	168.5	168.7	0	0	0	0	110.9	Y479 Q480 P487 A490	Y479-V483 HydrophobicContact CD1-CG2 4.03Å; Y479-V483 HydrophobicContact CE1-CG2 3.6Å; Y479-V483 HydrophobicContact CE2-CG2 4.18Å; Y479-V483 HydrophobicContact CG-CG2 4.47Å; Y479-V483 WeakPolarHBondContact O-CG2 3.43Å; Y479-V483 PolarHBondContact O-N 2.85Å; Q480-V483 WeakPolarHBondContact O-CB 3.17Å; Q480-V483 PolarHBondContact O-N 2.97Å; Q480-V483 VanDerWaalsContact O-N 3.08Å; V483-P487 WeakPolarHBondContact O-CG 3.01Å; V483-A490 HydrophobicContact CB-CB 4.38Å; V483-A490 HydrophobicContact CG2-CB 3.68Å
484	A	85.1	Confident	85.8	Confident	83 Å²	83	67.8 Å²	67.8	69%	0.686	34%	0.342	S	S	*	.	H	α-helix	trans	-68.5	-47.3	176.6	0	0	0	0	0	112.7	Q480 H481 I482	Q480-A484 PolarHBondContact O-N 2.66Å; H481-A484 PolarHBondContact O-N 3.29Å; I482-A484 VanDerWaalsContact C-N 3.33Å
485	V	83.6	Confident	85.7	Confident	91 Å²	91	72.5 Å²	72.5	55%	0.552	36%	0.362	S	S	*	.	H	α-helix	trans	-87.8	-35.4	-170.9	178.4	0	0	0	0	113.9	H481	H481-V485 WeakPolarHBondContact O-CB 3.31Å; H481-V485 WeakPolarHBondContact O-CG2 3.46Å; H481-V485 PolarHBondContact O-N 3.06Å
486	D	83.1	Confident	85.4	Confident	63 Å²	63	76.6 Å²	76.6	34%	0.337	38%	0.38	S	S	.	.			trans	-147.4	85.1	177.9	-175.5	-11.1	0	0	0	112.1	I482 Q488 K489 A490	I482-D486 CarbonylContact O-C 3.47Å; I482-D486 WeakPolarHBondContact O-CA 3.49Å; I482-D486 PolarHBondContact O-N 3.17Å; D486-Q488 PolarHBondContact O-N 3.47Å; D486-Q488 VanDerWaalsContact O-N 3.1Å; D486-Q488 WeakPolarHBondContact OD1-CA 3.42Å; D486-Q488 WeakPolarHBondContact OD1-CB 3.41Å; D486-Q488 PolarHBondContact OD1-N 2.91Å; D486-K489 HydrophobicContact CB-CB 3.92Å; D486-K489 PolarHBondContact O-N 3.07Å; D486-K489 VanDerWaalsContact O-N 3.13Å; D486-K489 PolarHBondContact OD1-N 2.91Å; D486-K489 WeakPolarHBondContact OD2-CB 3.49Å; D486-A490 PolarHBondContact O-N 3.19Å
487	P	87.5	Confident	85.4	Confident	85 Å²	85	77.4 Å²	77.4	55%	0.552	38%	0.384	S	S	*	.	H	α-helix	trans	-55.5	-26.8	176.2	-25.8	31.7	0	0	0	114.7	V483 E491	V483-P487 WeakPolarHBondContact O-CG 3.01Å; P487-E491 PolarHBondContact O-N 2.85Å
488	Q	88.1	Confident	85.3	Confident	157 Å²	157	77.1 Å²	77.1	73%	0.734	39%	0.385	S	S	*	.	H	α-helix	trans	-77.7	-36.1	-179.4	-60.4	-171.4	27.9	0	0	111.5	D486 Q492	D486-Q488 PolarHBondContact O-N 3.47Å; D486-Q488 VanDerWaalsContact O-N 3.1Å; D486-Q488 WeakPolarHBondContact OD1-CA 3.42Å; D486-Q488 WeakPolarHBondContact OD1-CB 3.41Å; D486-Q488 PolarHBondContact OD1-N 2.91Å; Q488-Q492 WeakPolarHBondContact O-CG 3.24Å; Q488-Q492 PolarHBondContact O-NE2 3.09Å
489	K	84.6	Confident	85.2	Confident	90 Å²	90	77.3 Å²	77.3	39%	0.391	39%	0.39	S	S	.	.	H	α-helix	trans	-71.3	-38.6	170	-178.8	-179.2	178	-174.7	0	111.3	I482 D486 E491 Q492 M493	I482-K489 HydrophobicContact CG2-CB 4.15Å; I482-K489 HydrophobicContact CG2-CD 4.02Å; I482-K489 HydrophobicContact CG2-CG 3.99Å; D486-K489 HydrophobicContact CB-CB 3.92Å; D486-K489 PolarHBondContact O-N 3.07Å; D486-K489 VanDerWaalsContact O-N 3.13Å; D486-K489 PolarHBondContact OD1-N 2.91Å; D486-K489 WeakPolarHBondContact OD2-CB 3.49Å; K489-E491 PolarHBondContact O-N 3.13Å; K489-Q492 WeakPolarHBondContact O-CB 3.32Å; K489-Q492 PolarHBondContact O-N 3Å; K489-M493 HydrophobicContact CD-SD 4.45Å; K489-M493 HydrophobicContact CG-CE 4.27Å; K489-M493 HydrophobicContact CG-CG 4.35Å; K489-M493 HydrophobicContact CG-SD 3.89Å; K489-M493 WeakPolarHBondContact O-CG 3.48Å; K489-M493 PolarHBondContact O-N 3.1Å
490	A	85.8	Confident	85.2	Confident	3 Å²	3	79.6 Å²	79.6	3%	0.025	40%	0.401	C	S	.	.	H	α-helix	trans	-55.1	-52.9	176.1	0	0	0	0	0	112	Y479 I482 V483 D486 Q492 M493 K494	Y479-A490 HydrophobicContact CE2-CB 4.2Å; I482-A490 HydrophobicContact CG2-CB 4.25Å; V483-A490 HydrophobicContact CB-CB 4.38Å; V483-A490 HydrophobicContact CG2-CB 3.68Å; D486-A490 PolarHBondContact O-N 3.19Å; A490-Q492 PolarHBondContact O-N 2.9Å; A490-M493 PolarHBondContact O-N 2.86Å; A490-K494 PolarHBondContact O-N 2.83Å
491	E	84.8	Confident	85.3	Confident	114 Å²	114	77.9 Å²	77.9	53%	0.533	39%	0.393	S	S	.	.	H	α-helix	trans	-61.3	-31.5	179.7	-167.8	63.4	-153.2	0	0	112.8	P487 K489 K494	P487-E491 PolarHBondContact O-N 2.85Å; K489-E491 PolarHBondContact O-N 3.13Å; E491-K494 VanDerWaalsContact CD-CD 3.48Å; E491-K494 WeakPolarHBondContact O-CB 3.48Å; E491-K494 WeakPolarHBondContact OE1-CD 3.48Å; E491-K494 IonicContact OE1-NZ 3.69Å; E491-K494 PolarHBondContact OE1-NZ 2.83Å; E491-K494 VanDerWaalsContact OE2-CD 3.23Å; E491-K494 WeakPolarHBondContact OE2-CD 3.31Å; E491-K494 IonicContact OE2-NZ 2.64Å; E491-K494 PolarHBondContact OE2-NZ 2.94Å
492	Q	88.1	Confident	85.3	Confident	145 Å²	145	79.1 Å²	79.1	68%	0.678	40%	0.399	S	S	*	.	H	α-helix	trans	-71	-33.8	174.6	-71.4	172	74.8	0	0	113.1	Q488 K489 A490	Q488-Q492 WeakPolarHBondContact O-CG 3.24Å; Q488-Q492 PolarHBondContact O-NE2 3.09Å; K489-Q492 WeakPolarHBondContact O-CB 3.32Å; K489-Q492 PolarHBondContact O-N 3Å; A490-Q492 PolarHBondContact O-N 2.9Å
493	M	82.2	Confident	85.5	Confident	32 Å²	32	81.6 Å²	81.6	16%	0.158	41%	0.414	C	S	.	.	H	α-helix	trans	-88	-21.1	-179.2	-62.7	-173.1	-34.4	0	0	113.4	I482 K489 A490 F495 Q496 V497	I482-M493 HydrophobicContact CB-CE 3.92Å; I482-M493 HydrophobicContact CG1-CE 4.03Å; I482-M493 HydrophobicContact CG2-CE 3.56Å; K489-M493 HydrophobicContact CD-SD 4.45Å; K489-M493 HydrophobicContact CG-CE 4.27Å; K489-M493 HydrophobicContact CG-CG 4.35Å; K489-M493 HydrophobicContact CG-SD 3.89Å; K489-M493 WeakPolarHBondContact O-CG 3.48Å; K489-M493 PolarHBondContact O-N 3.1Å; A490-M493 PolarHBondContact O-N 2.86Å; M493-F495 VanDerWaalsContact C-N 3.28Å; M493-F495 PolarHBondContact O-N 3.48Å; M493-F495 VanDerWaalsContact O-N 3.1Å; M493-Q496 WeakPolarHBondContact O-CA 3.46Å; M493-Q496 VanDerWaalsContact O-CB 3.3Å; M493-Q496 WeakPolarHBondContact O-CB 3.47Å; M493-Q496 PolarHBondContact O-N 3.49Å; M493-V497 PolarHBondContact O-N 3.03Å
494	K	82.9	Confident	85.6	Confident	81 Å²	81	79.4 Å²	79.4	35%	0.352	40%	0.401	S	S	.	.	H	α-helix	trans	-43.9	-43.4	-178.3	-172	175.4	-178.3	-179.7	0	114.9	Y479 A490 E491 Y498	Y479-K494 HydrophobicContact CE2-CB 4.19Å; A490-K494 PolarHBondContact O-N 2.83Å; E491-K494 VanDerWaalsContact CD-CD 3.48Å; E491-K494 WeakPolarHBondContact O-CB 3.48Å; E491-K494 WeakPolarHBondContact OE1-CD 3.48Å; E491-K494 IonicContact OE1-NZ 3.69Å; E491-K494 PolarHBondContact OE1-NZ 2.83Å; E491-K494 VanDerWaalsContact OE2-CD 3.23Å; E491-K494 WeakPolarHBondContact OE2-CD 3.31Å; E491-K494 IonicContact OE2-NZ 2.64Å; E491-K494 PolarHBondContact OE2-NZ 2.94Å; K494-Y498 WeakPolarHBondContact O-CB 3.42Å; K494-Y498 PolarHBondContact O-N 2.98Å
495	F	83.8	Confident	85.7	Confident	155 Å²	155	79.5 Å²	79.5	68%	0.68	39%	0.387	S	S	*	.	H	α-helix	trans	-66.9	-37.4	175.7	174.4	-99	0	0	0	113.1	M493 T499	M493-F495 VanDerWaalsContact C-N 3.28Å; M493-F495 PolarHBondContact O-N 3.48Å; M493-F495 VanDerWaalsContact O-N 3.1Å; F495-T499 WeakPolarHBondContact O-CB 3.24Å; F495-T499 PolarHBondContact O-N 3.07Å; F495-T499 PolarHBondContact O-OG1 2.85Å
496	Q	83.4	Confident	85.8	Confident	102 Å²	102	80 Å²	80	48%	0.477	38%	0.383	S	S	.	.	H	α-helix	trans	-69.4	-44.9	178.1	-52.5	-179.5	11.4	0	0	110.1	M493 T499 H500	M493-Q496 WeakPolarHBondContact O-CA 3.46Å; M493-Q496 VanDerWaalsContact O-CB 3.3Å; M493-Q496 WeakPolarHBondContact O-CB 3.47Å; M493-Q496 PolarHBondContact O-N 3.49Å; Q496-T499 PolarHBondContact O-N 3.37Å; Q496-H500 PolarHBondContact O-N 2.87Å
497	V	87.8	Confident	86.1	Confident	17 Å²	17	79.2 Å²	79.2	10%	0.103	38%	0.376	C	S	.	.	H	α-helix	trans	-58.5	-51.2	174.5	171.3	0	0	0	0	111.1	T475 Y479 M493 T499 H500 L501	T475-V497 HydrophobicContact CG2-CG1 4.13Å; Y479-V497 HydrophobicContact CD2-CB 4.32Å; Y479-V497 HydrophobicContact CD2-CG1 4.29Å; Y479-V497 HydrophobicContact CD2-CG2 3.82Å; Y479-V497 HydrophobicContact CG-CG1 4.12Å; Y479-V497 HydrophobicContact CG-CG2 4.28Å; M493-V497 PolarHBondContact O-N 3.03Å; V497-T499 VanDerWaalsContact C-N 3.31Å; V497-T499 PolarHBondContact O-N 2.7Å; V497-H500 PolarHBondContact O-N 2.93Å; V497-H500 VanDerWaalsContact O-N 3.16Å; V497-L501 HydrophobicContact CG1-CD1 3.89Å; V497-L501 HydrophobicContact CG1-CG 4.48Å; V497-L501 VanDerWaalsContact O-CG 3.3Å; V497-L501 WeakPolarHBondContact O-CG 3.35Å; V497-L501 PolarHBondContact O-N 3.47Å
498	Y	84.6	Confident	86.2	Confident	152 Å²	152	76.1 Å²	76.1	60%	0.596	35%	0.354	S	S	*	.	H	α-helix	trans	-57.6	-43	176	-179	-93.9	0	0	0	112.3	K494 L501 H502	K494-Y498 WeakPolarHBondContact O-CB 3.42Å; K494-Y498 PolarHBondContact O-N 2.98Å; Y498-L501 PolarHBondContact O-N 3.43Å; Y498-H502 WeakPolarHBondContact O-CB 3.49Å; Y498-H502 PolarHBondContact O-N 2.91Å
499	T	84.8	Confident	86.2	Confident	59 Å²	59	72.4 Å²	72.4	36%	0.362	34%	0.339	S	S	.	.	H	α-helix	trans	-62.7	-42.6	176.8	-57.6	0	0	0	0	111.5	F495 Q496 V497 H502 V503	F495-T499 WeakPolarHBondContact O-CB 3.24Å; F495-T499 PolarHBondContact O-N 3.07Å; F495-T499 PolarHBondContact O-OG1 2.85Å; Q496-T499 PolarHBondContact O-N 3.37Å; V497-T499 VanDerWaalsContact C-N 3.31Å; V497-T499 PolarHBondContact O-N 2.7Å; T499-H502 PolarHBondContact O-N 2.99Å; T499-V503 WeakPolarHBondContact O-CG2 3.02Å; T499-V503 PolarHBondContact O-N 3.43Å
500	H	86.5	Confident	86.5	Confident	61 Å²	61	73.3 Å²	73.3	28%	0.282	35%	0.345	S	S	.	.	H	α-helix	trans	-65.6	-45.5	179	-167.9	-133.8	0	0	0	111.9	D471 T475 Q496 V497 H502 V503 I504	D471-H500 IonicContact OD1-CE1 3.08Å; D471-H500 PolarHBondContact OD1-CE1 2.9Å; D471-H500 IonicContact OD2-CE1 3.76Å; T475-H500 HydrophobicContact CG2-CB 4.46Å; T475-H500 PolarHBondContact OG1-ND1 2.03Å; Q496-H500 PolarHBondContact O-N 2.87Å; V497-H500 PolarHBondContact O-N 2.93Å; V497-H500 VanDerWaalsContact O-N 3.16Å; H500-H502 VanDerWaalsContact C-N 3.31Å; H500-H502 PolarHBondContact O-N 3.17Å; H500-V503 PolarHBondContact O-N 2.69Å; H500-V503 VanDerWaalsContact O-N 3.16Å; H500-I504 WeakPolarHBondContact O-CG1 3.36Å; H500-I504 PolarHBondContact O-N 2.9Å
501	L	89.1	Confident	86.7	Confident	14 Å²	14	73.4 Å²	73.4	7%	0.073	35%	0.345	C	S	.	.	H	α-helix	trans	-60.2	-39.7	176.8	-65.6	169.8	0	0	0	112.2	R472 T475 L476 V497 Y498 I504 E505	R472-L501 HydrophobicContact CG-CD2 3.62Å; T475-L501 HydrophobicContact CG2-CD2 3.92Å; T475-L501 HydrophobicContact CG2-CG 4.09Å; L476-L501 HydrophobicContact CD2-CD1 3.7Å; L476-L501 HydrophobicContact CD2-CD2 4.36Å; L476-L501 HydrophobicContact CG-CD1 4.33Å; L476-L501 HydrophobicContact CG-CD2 4.08Å; V497-L501 HydrophobicContact CG1-CD1 3.89Å; V497-L501 HydrophobicContact CG1-CG 4.48Å; V497-L501 VanDerWaalsContact O-CG 3.3Å; V497-L501 WeakPolarHBondContact O-CG 3.35Å; V497-L501 PolarHBondContact O-N 3.47Å; Y498-L501 PolarHBondContact O-N 3.43Å; L501-I504 PolarHBondContact O-N 3.18Å; L501-E505 PolarHBondContact O-N 2.85Å
502	H	85.5	Confident	87	Confident	98 Å²	98	69 Å²	69	45%	0.454	33%	0.326	S	S	.	.	H	α-helix	trans	-69.4	-36.8	175.8	-169.8	53.8	0	0	0	112.5	Y498 T499 H500 E505 E506	Y498-H502 WeakPolarHBondContact O-CB 3.49Å; Y498-H502 PolarHBondContact O-N 2.91Å; T499-H502 PolarHBondContact O-N 2.99Å; H500-H502 VanDerWaalsContact C-N 3.31Å; H500-H502 PolarHBondContact O-N 3.17Å; H502-E505 PolarHBondContact O-N 3.21Å; H502-E506 PolarHBondContact O-N 3.34Å
503	V	88.8	Confident	87.1	Confident	63 Å²	63	64.6 Å²	64.6	38%	0.382	31%	0.313	S	S	.	.	H	α-helix	trans	-64.8	-38.3	173.2	167.4	0	0	0	0	111.5	T499 H500 R507	T499-V503 WeakPolarHBondContact O-CG2 3.02Å; T499-V503 PolarHBondContact O-N 3.43Å; H500-V503 PolarHBondContact O-N 2.69Å; H500-V503 VanDerWaalsContact O-N 3.16Å; V503-R507 WeakPolarHBondContact O-CB 3.46Å; V503-R507 PolarHBondContact O-N 3.27Å
504	I	88.6	Confident	87.4	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-61.3	-48.9	172.6	-67.1	160.1	0	0	0	110.4	E468 D471 R472 H500 L501 R507 M508	E468-I504 HydrophobicContact CB-CG2 4.24Å; D471-I504 HydrophobicContact CB-CD1 4.38Å; R472-I504 HydrophobicContact CB-CD1 4.25Å; R472-I504 HydrophobicContact CB-CG2 4.38Å; H500-I504 WeakPolarHBondContact O-CG1 3.36Å; H500-I504 PolarHBondContact O-N 2.9Å; L501-I504 PolarHBondContact O-N 3.18Å; I504-R507 PolarHBondContact O-N 3.49Å; I504-M508 WeakPolarHBondContact O-CB 3.06Å; I504-M508 PolarHBondContact O-N 2.95Å
505	E	85.9	Confident	87.7	Confident	85 Å²	85	61.1 Å²	61.1	40%	0.397	30%	0.299	S	S	.	.	H	α-helix	trans	-63.9	-43	178.5	-178.1	170.8	-144.9	0	0	112.3	L501 H502 M508 N509 R537	L501-E505 PolarHBondContact O-N 2.85Å; H502-E505 PolarHBondContact O-N 3.21Å; E505-M508 PolarHBondContact O-N 2.96Å; E505-N509 VanDerWaalsContact CG-ND2 3.32Å; E505-N509 WeakPolarHBondContact CG-ND2 3.38Å; E505-N509 WeakPolarHBondContact O-CB 3.43Å; E505-N509 PolarHBondContact O-N 3.48Å; E505-N509 PolarHBondContact O-ND2 2.91Å; E505-R537 IonicContact OE1-CZ 3.86Å; E505-R537 IonicContact OE1-NH2 2.67Å; E505-R537 PolarHBondContact OE1-NH2 2.79Å
506	E	86.9	Confident	87.8	Confident	101 Å²	101	61.6 Å²	61.6	47%	0.472	30%	0.298	S	S	.	.	H	α-helix	trans	-62.8	-45.2	176.9	-159.4	-163.1	155.9	0	0	110.8	H502 M508 N509 Q510	H502-E506 PolarHBondContact O-N 3.34Å; E506-M508 PolarHBondContact O-N 3.33Å; E506-N509 PolarHBondContact O-N 2.97Å; E506-Q510 WeakPolarHBondContact O-CB 3.41Å; E506-Q510 VanDerWaalsContact O-CG 3.27Å; E506-Q510 WeakPolarHBondContact O-CG 3.36Å; E506-Q510 PolarHBondContact O-N 2.97Å; E506-Q510 PolarHBondContact OE1-NE2 3.49Å
507	R	89.1	Confident	87.9	Confident	47 Å²	47	64.5 Å²	64.5	18%	0.177	31%	0.309	C	S	.	.	H	α-helix	trans	-63.8	-36.9	179.8	-173.5	171.5	64.2	-147.9	7.1	112.5	R436 Y464 E468 D471 V503 I504 S511	R436-R507 VanDerWaalsContact CD-CZ 3.46Å; Y464-R507 PolarHBondContact OH-O 3Å; E468-R507 WeakPolarHBondContact OE1-CD 3.34Å; E468-R507 WeakPolarHBondContact OE1-CG 3.26Å; E468-R507 IonicContact OE1-CZ 3.71Å; E468-R507 IonicContact OE1-NE 3.3Å; E468-R507 PolarHBondContact OE1-NE 2.92Å; E468-R507 IonicContact OE1-NH2 3.38Å; E468-R507 IonicContact OE2-CZ 2.66Å; E468-R507 VanDerWaalsContact OE2-CZ 3.3Å; E468-R507 IonicContact OE2-NE 2.92Å; E468-R507 PolarHBondContact OE2-NE 2.67Å; E468-R507 VanDerWaalsContact OE2-NE 3.11Å; E468-R507 IonicContact OE2-NH2 4Å; E468-R507 PolarHBondContact OE2-NH2 3.36Å; D471-R507 IonicContact OD2-NH2 2.7Å; D471-R507 PolarHBondContact OD2-NH2 3.3Å; D471-R507 VanDerWaalsContact OD2-NH2 3.08Å; V503-R507 WeakPolarHBondContact O-CB 3.46Å; V503-R507 PolarHBondContact O-N 3.27Å; I504-R507 PolarHBondContact O-N 3.49Å; R507-S511 PolarHBondContact O-N 3.09Å; R507-S511 VanDerWaalsContact O-N 3.12Å
508	M	88.8	Confident	87.9	Confident	20 Å²	20	66.1 Å²	66.1	10%	0.099	32%	0.317	C	S	.	.	H	α-helix	trans	-67.7	-46.7	172.3	-169.5	-171.3	-66.2	0	0	111.8	M465 E468 Q469 I504 E505 E506 Q510 S511 L512	M465-M508 HydrophobicContact CE-SD 4.02Å; M465-M508 HydrophobicContact CG-CG 4.47Å; E468-M508 HydrophobicContact CB-CE 3.88Å; Q469-M508 HydrophobicContact CG-CE 3.89Å; I504-M508 WeakPolarHBondContact O-CB 3.06Å; I504-M508 PolarHBondContact O-N 2.95Å; E505-M508 PolarHBondContact O-N 2.96Å; E506-M508 PolarHBondContact O-N 3.33Å; M508-Q510 VanDerWaalsContact C-N 3.33Å; M508-Q510 PolarHBondContact O-N 3Å; M508-S511 PolarHBondContact O-N 3.46Å; M508-S511 VanDerWaalsContact O-N 3.15Å; M508-S511 PolarHBondContact O-OG 3Å; M508-S511 VanDerWaalsContact O-OG 3.09Å; M508-L512 WeakPolarHBondContact O-CG 3.42Å; M508-L512 PolarHBondContact O-N 3.36Å; M508-L512 VanDerWaalsContact O-N 3.07Å
509	N	89.4	Confident	88.1	Confident	79 Å²	79	63.3 Å²	63.3	42%	0.422	32%	0.317	S	S	.	.	H	α-helix	trans	-63	-37.9	176.2	-77.7	-68.9	0	0	0	112.3	E505 E506 S511 A513	E505-N509 VanDerWaalsContact CG-ND2 3.32Å; E505-N509 WeakPolarHBondContact CG-ND2 3.38Å; E505-N509 WeakPolarHBondContact O-CB 3.43Å; E505-N509 PolarHBondContact O-N 3.48Å; E505-N509 PolarHBondContact O-ND2 2.91Å; E506-N509 PolarHBondContact O-N 2.97Å; N509-S511 VanDerWaalsContact C-N 3.33Å; N509-S511 PolarHBondContact O-N 2.89Å; N509-A513 WeakPolarHBondContact O-CB 3.36Å; N509-A513 PolarHBondContact O-N 2.9Å
510	Q	90.3	Very high	88.3	Confident	109 Å²	109	65 Å²	65	51%	0.509	33%	0.327	S	S	.	.	H	α-helix	trans	-63.5	-35.7	173.7	-74.9	-179.8	23.5	0	0	112.4	E506 M508	E506-Q510 WeakPolarHBondContact O-CB 3.41Å; E506-Q510 VanDerWaalsContact O-CG 3.27Å; E506-Q510 WeakPolarHBondContact O-CG 3.36Å; E506-Q510 PolarHBondContact O-N 2.97Å; E506-Q510 PolarHBondContact OE1-NE2 3.49Å; M508-Q510 VanDerWaalsContact C-N 3.33Å; M508-Q510 PolarHBondContact O-N 3Å
511	S	90.2	Very high	88.4	Confident	5 Å²	5	62.3 Å²	62.3	4%	0.035	32%	0.315	C	S	.	.	H	α-helix	trans	-73.4	-39.7	178.5	90.5	0	0	0	0	112.2	Y443 Y464 R507 M508 N509 A513 L514	Y443-S511 WeakPolarHBondContact CE1-O 3.19Å; Y443-S511 PolarHBondContact OH-O 2.92Å; Y464-S511 WeakPolarHBondContact CE1-OG 3.39Å; R507-S511 PolarHBondContact O-N 3.09Å; R507-S511 VanDerWaalsContact O-N 3.12Å; M508-S511 PolarHBondContact O-N 3.46Å; M508-S511 VanDerWaalsContact O-N 3.15Å; M508-S511 PolarHBondContact O-OG 3Å; M508-S511 VanDerWaalsContact O-OG 3.09Å; N509-S511 VanDerWaalsContact C-N 3.33Å; N509-S511 PolarHBondContact O-N 2.89Å; S511-A513 VanDerWaalsContact C-N 3.32Å; S511-A513 PolarHBondContact O-N 3.38Å; S511-L514 VanDerWaalsContact O-CB 3.29Å; S511-L514 WeakPolarHBondContact O-CB 3.41Å; S511-L514 WeakPolarHBondContact O-CG 3.46Å; S511-L514 PolarHBondContact O-N 3.38Å
512	L	90.4	Very high	88.5	Confident	23 Å²	23	62.2 Å²	62.2	12%	0.12	32%	0.316	C	S	.	.	H	α-helix	trans	-62.2	-39.8	172.5	-68.7	170.5	0	0	0	111.2	L461 M465 M508 L514 L515 I529 V533	L461-L512 HydrophobicContact CD1-CD2 3.95Å; L461-L512 HydrophobicContact CD2-CD2 3.87Å; L461-L512 HydrophobicContact CG-CD2 4.47Å; M465-L512 HydrophobicContact SD-CD2 4.25Å; M508-L512 WeakPolarHBondContact O-CG 3.42Å; M508-L512 PolarHBondContact O-N 3.36Å; M508-L512 VanDerWaalsContact O-N 3.07Å; L512-L514 PolarHBondContact O-N 3.08Å; L512-L515 PolarHBondContact O-N 2.98Å; L512-L515 VanDerWaalsContact O-N 3.09Å; L512-I529 HydrophobicContact CD2-CG2 3.94Å; L512-V533 HydrophobicContact CD1-CG2 3.91Å
513	A	89.9	Confident	88.8	Confident	51 Å²	51	65.1 Å²	65.1	42%	0.421	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-12.5	177.6	0	0	0	0	0	114.4	N509 S511 L515	N509-A513 WeakPolarHBondContact O-CB 3.36Å; N509-A513 PolarHBondContact O-N 2.9Å; S511-A513 VanDerWaalsContact C-N 3.32Å; S511-A513 PolarHBondContact O-N 3.38Å; A513-L515 VanDerWaalsContact C-N 3.31Å
514	L	88.8	Confident	89	Confident	35 Å²	35	68.3 Å²	68.3	18%	0.183	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-27.3	173.5	-59.7	174.4	0	0	0	112.7	Y443 L444 S511 L512 K517	Y443-L514 HydrophobicContact CE1-CD1 4.07Å; L444-L514 HydrophobicContact CD2-CD1 3.57Å; S511-L514 VanDerWaalsContact O-CB 3.29Å; S511-L514 WeakPolarHBondContact O-CB 3.41Å; S511-L514 WeakPolarHBondContact O-CG 3.46Å; S511-L514 PolarHBondContact O-N 3.38Å; L512-L514 PolarHBondContact O-N 3.08Å; L514-K517 WeakPolarHBondContact O-CB 3.46Å; L514-K517 WeakPolarHBondContact O-CG 3.26Å; L514-K517 PolarHBondContact O-N 3.49Å
515	L	88.8	Confident	89.1	Confident	6 Å²	6	68.5 Å²	68.5	3%	0.031	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-69.1	-37.6	-177.6	-61.2	175.7	0	0	0	111.9	Y443 V447 V457 L461 L512 A513 K517 D518 L521 A522 I529	Y443-L515 HydrophobicContact CE2-CD2 4.19Å; Y443-L515 WeakPolarHBondContact OH-CD2 3.46Å; Y443-L515 WeakPolarHBondContact OH-CG 3.47Å; V447-L515 HydrophobicContact CG2-CD2 3.82Å; V457-L515 HydrophobicContact CG1-CD2 3.66Å; L461-L515 HydrophobicContact CD2-CD1 4.24Å; L512-L515 PolarHBondContact O-N 2.98Å; L512-L515 VanDerWaalsContact O-N 3.09Å; A513-L515 VanDerWaalsContact C-N 3.31Å; L515-K517 PolarHBondContact O-N 3.2Å; L515-D518 CarbonylContact O-C 3.54Å; L515-D518 PolarHBondContact O-N 3.2Å; L515-L521 HydrophobicContact CD2-CD2 4.23Å; L515-A522 HydrophobicContact CB-CB 4.46Å; L515-I529 HydrophobicContact CD1-CD1 3.36Å; L515-I529 HydrophobicContact CD1-CG1 4.41Å
516	Y	86.3	Confident	89.4	Confident	165 Å²	165	69.1 Å²	69.1	65%	0.647	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-61.9	-1.1	176.1	-58.5	-58.5	0	0	0	114.8	A522	Y516-A522 HydrophobicContact CD1-CB 4.06Å
517	K	85.7	Confident	89.6	Confident	162 Å²	162	66.3 Å²	66.3	70%	0.704	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-73.5	-28.2	168	-64.5	176	-179.1	174.9	0	112.6	L514 L515	L514-K517 WeakPolarHBondContact O-CB 3.46Å; L514-K517 WeakPolarHBondContact O-CG 3.26Å; L514-K517 PolarHBondContact O-N 3.49Å; L515-K517 PolarHBondContact O-N 3.2Å
518	D	88.1	Confident	89.7	Confident	51 Å²	51	67.2 Å²	67.2	27%	0.273	35%	0.351	S	S	.	.	S	Bend	trans	-116.3	103.1	167.8	-173.2	-29.3	0	0	0	108.7	L515 T520 L521 A522	L515-D518 CarbonylContact O-C 3.54Å; L515-D518 PolarHBondContact O-N 3.2Å; D518-T520 PolarHBondContact O-N 3.17Å; D518-T520 WeakPolarHBondContact OD1-CB 3.37Å; D518-T520 PolarHBondContact OD1-N 3.16Å; D518-T520 PolarHBondContact OD1-OG1 3.16Å; D518-L521 HydrophobicContact CB-CB 3.99Å; D518-L521 PolarHBondContact O-N 3.15Å; D518-L521 PolarHBondContact OD1-N 2.98Å; D518-A522 WeakPolarHBondContact O-CB 3.3Å; D518-A522 PolarHBondContact O-N 2.96Å
519	P	87.9	Confident	89.8	Confident	94 Å²	94	67.5 Å²	67.5	61%	0.61	35%	0.353	S	S	*	.	H	α-helix	trans	-67.2	-19.2	-177.2	28.7	-35.3	0	0	0	113.2	E523	P519-E523 WeakPolarHBondContact O-CB 3.18Å; P519-E523 PolarHBondContact O-N 3.32Å; P519-E523 VanDerWaalsContact O-N 3.08Å
520	T	89.1	Confident	89.8	Confident	93 Å²	93	68.5 Å²	68.5	57%	0.571	36%	0.355	S	S	*	.	H	α-helix	trans	-78.6	-46.2	179.3	63.4	0	0	0	0	111	D518 A522 E523 E524	D518-T520 PolarHBondContact O-N 3.17Å; D518-T520 WeakPolarHBondContact OD1-CB 3.37Å; D518-T520 PolarHBondContact OD1-N 3.16Å; D518-T520 PolarHBondContact OD1-OG1 3.16Å; T520-A522 VanDerWaalsContact C-N 3.29Å; T520-A522 PolarHBondContact O-N 2.89Å; T520-E523 PolarHBondContact O-N 2.66Å; T520-E524 WeakPolarHBondContact O-CB 3.38Å; T520-E524 PolarHBondContact O-N 2.67Å
521	L	89.7	Confident	89.9	Confident	6 Å²	6	69.9 Å²	69.9	3%	0.031	36%	0.361	C	S	.	.	H	α-helix	trans	-60.7	-38.1	171.4	-177.9	67.6	0	0	0	112	P452 P454 V457 L515 D518 L525	P452-L521 HydrophobicContact CB-CD1 4.44Å; P452-L521 HydrophobicContact CB-CD2 3.99Å; P452-L521 HydrophobicContact CG-CD2 4.26Å; P454-L521 HydrophobicContact CB-CD1 4.21Å; P454-L521 HydrophobicContact CG-CD1 4.06Å; V457-L521 HydrophobicContact CG1-CD2 4.33Å; V457-L521 HydrophobicContact CG2-CD1 4.44Å; V457-L521 HydrophobicContact CG2-CD2 4.26Å; L515-L521 HydrophobicContact CD2-CD2 4.23Å; D518-L521 HydrophobicContact CB-CB 3.99Å; D518-L521 PolarHBondContact O-N 3.15Å; D518-L521 PolarHBondContact OD1-N 2.98Å; L521-L525 HydrophobicContact CD1-CD1 3.82Å; L521-L525 HydrophobicContact CD1-CG 4.36Å; L521-L525 HydrophobicContact CG-CD1 4.23Å; L521-L525 WeakPolarHBondContact O-CB 3.38Å; L521-L525 PolarHBondContact O-N 3.26Å; L521-L525 VanDerWaalsContact O-N 3.12Å
522	A	90.6	Very high	89.7	Confident	11 Å²	11	70.8 Å²	70.8	9%	0.091	37%	0.366	C	S	.	.	H	α-helix	trans	-74.1	-26.2	178.7	0	0	0	0	0	114.1	L515 Y516 D518 T520 H526	L515-A522 HydrophobicContact CB-CB 4.46Å; Y516-A522 HydrophobicContact CD1-CB 4.06Å; D518-A522 WeakPolarHBondContact O-CB 3.3Å; D518-A522 PolarHBondContact O-N 2.96Å; T520-A522 VanDerWaalsContact C-N 3.29Å; T520-A522 PolarHBondContact O-N 2.89Å; A522-H526 WeakPolarHBondContact O-CB 3.23Å
523	E	91.4	Very high	89.5	Confident	159 Å²	159	71.3 Å²	71.3	74%	0.743	37%	0.37	S	S	*	.	H	α-helix	trans	-77.8	-42.4	172.9	-175	171.1	-162.5	0	0	110.8	P519 T520 H526	P519-E523 WeakPolarHBondContact O-CB 3.18Å; P519-E523 PolarHBondContact O-N 3.32Å; P519-E523 VanDerWaalsContact O-N 3.08Å; T520-E523 PolarHBondContact O-N 2.66Å; E523-H526 PolarHBondContact O-N 3.24Å
524	E	92.6	Very high	89.3	Confident	131 Å²	131	74.9 Å²	74.9	61%	0.612	38%	0.376	S	S	*	.	H	α-helix	trans	-64.1	-46.2	179	-173.2	169.5	-170.6	0	0	112.6	P454 T520 H526	P454-E524 HydrophobicContact CB-CG 4.43Å; P454-E524 VanDerWaalsContact CG-CD 3.46Å; P454-E524 HydrophobicContact CG-CG 4.41Å; P454-E524 WeakPolarHBondContact CG-OE2 3.45Å; T520-E524 WeakPolarHBondContact O-CB 3.38Å; T520-E524 PolarHBondContact O-N 2.67Å; E524-H526 VanDerWaalsContact C-N 3.33Å; E524-H526 PolarHBondContact O-N 2.84Å
525	L	92.3	Very high	89.1	Confident	5 Å²	5	76.1 Å²	76.1	3%	0.026	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	3.4	-178.8	-64.3	179	0	0	0	114.4	P454 V457 L458 L521 G527 D528 I529	P454-L525 HydrophobicContact CB-CD2 3.84Å; P454-L525 HydrophobicContact CB-CG 4.22Å; V457-L525 HydrophobicContact CB-CD1 4.15Å; V457-L525 HydrophobicContact CG1-CD1 3.82Å; L458-L525 HydrophobicContact CB-CD2 4.09Å; L458-L525 HydrophobicContact CD2-CD2 4.5Å; L521-L525 HydrophobicContact CD1-CD1 3.82Å; L521-L525 HydrophobicContact CD1-CG 4.36Å; L521-L525 HydrophobicContact CG-CD1 4.23Å; L521-L525 WeakPolarHBondContact O-CB 3.38Å; L521-L525 PolarHBondContact O-N 3.26Å; L521-L525 VanDerWaalsContact O-N 3.12Å; L525-G527 VanDerWaalsContact C-N 3.33Å; L525-G527 PolarHBondContact O-N 3.26Å; L525-D528 PolarHBondContact O-N 3.4Å; L525-I529 HydrophobicContact CB-CD1 3.54Å; L525-I529 HydrophobicContact CB-CG1 4.16Å; L525-I529 WeakPolarHBondContact O-CB 3.34Å; L525-I529 VanDerWaalsContact O-CD1 3.3Å; L525-I529 WeakPolarHBondContact O-CD1 3.39Å; L525-I529 WeakPolarHBondContact O-CG1 3.34Å; L525-I529 PolarHBondContact O-N 2.91Å
526	H	90.6	Very high	88.4	Confident	99 Å²	99	77 Å²	77	46%	0.458	40%	0.395	S	S	.	.	H	α-helix	trans	-60.2	-39.6	-168.5	-167.8	66	0	0	0	113.6	A522 E523 E524 Q530	A522-H526 WeakPolarHBondContact O-CB 3.23Å; E523-H526 PolarHBondContact O-N 3.24Å; E524-H526 VanDerWaalsContact C-N 3.33Å; E524-H526 PolarHBondContact O-N 2.84Å; H526-Q530 WeakPolarHBondContact O-CB 3.29Å; H526-Q530 PolarHBondContact O-N 2.76Å; H526-Q530 VanDerWaalsContact O-N 3.09Å
527	G	91.7	Very high	87.7	Confident	42 Å²	42	75.2 Å²	75.2	43%	0.433	39%	0.387	S	S	.	.	H	α-helix	trans	-64.3	-58.6	178.1	0	0	0	0	0	111.8	L525 I529 Q530 E531	L525-G527 VanDerWaalsContact C-N 3.33Å; L525-G527 PolarHBondContact O-N 3.26Å; G527-I529 PolarHBondContact O-N 3.06Å; G527-Q530 WeakPolarHBondContact O-CA 3.49Å; G527-Q530 WeakPolarHBondContact O-CB 3.48Å; G527-Q530 PolarHBondContact O-N 2.94Å; G527-E531 PolarHBondContact O-N 3.02Å
528	D	91.9	Very high	86.8	Confident	66 Å²	66	69.4 Å²	69.4	35%	0.353	37%	0.373	S	S	.	.	H	α-helix	trans	-56.2	-37.6	-178.1	-47.7	-16.4	0	0	0	112.5	L458 L525 L532	L458-D528 HydrophobicContact CD1-CB 3.75Å; L458-D528 HydrophobicContact CD2-CB 3.81Å; L458-D528 WeakPolarHBondContact CD2-OD2 3.35Å; L458-D528 HydrophobicContact CG-CB 4.45Å; L525-D528 PolarHBondContact O-N 3.4Å; D528-L532 WeakPolarHBondContact O-CB 3.42Å; D528-L532 PolarHBondContact O-N 2.91Å
529	I	90.4	Very high	85.7	Confident	25 Å²	25	70.1 Å²	70.1	13%	0.128	38%	0.377	C	S	.	.	H	α-helix	trans	-71.5	-40.1	176.4	-64.8	161.8	0	0	0	110.8	L461 L512 L515 L525 G527 E531 L532 V533	L461-I529 HydrophobicContact CD2-CG1 4.01Å; L512-I529 HydrophobicContact CD2-CG2 3.94Å; L515-I529 HydrophobicContact CD1-CD1 3.36Å; L515-I529 HydrophobicContact CD1-CG1 4.41Å; L525-I529 HydrophobicContact CB-CD1 3.54Å; L525-I529 HydrophobicContact CB-CG1 4.16Å; L525-I529 WeakPolarHBondContact O-CB 3.34Å; L525-I529 VanDerWaalsContact O-CD1 3.3Å; L525-I529 WeakPolarHBondContact O-CD1 3.39Å; L525-I529 WeakPolarHBondContact O-CG1 3.34Å; L525-I529 PolarHBondContact O-N 2.91Å; G527-I529 PolarHBondContact O-N 3.06Å; I529-E531 VanDerWaalsContact C-N 3.33Å; I529-L532 PolarHBondContact O-N 3.08Å; I529-V533 HydrophobicContact CG2-CG2 4.22Å; I529-V533 VanDerWaalsContact O-CB 3.3Å; I529-V533 WeakPolarHBondContact O-CB 3.37Å; I529-V533 VanDerWaalsContact O-CG2 3.23Å; I529-V533 WeakPolarHBondContact O-CG2 3.39Å; I529-V533 PolarHBondContact O-N 3.24Å
530	Q	89.6	Confident	84.4	Confident	101 Å²	101	67.3 Å²	67.3	47%	0.472	36%	0.357	S	S	.	.	H	α-helix	trans	-67	-36.8	177.2	-160.1	-163.9	44.1	0	0	111.5	H526 G527 K534	H526-Q530 WeakPolarHBondContact O-CB 3.29Å; H526-Q530 PolarHBondContact O-N 2.76Å; H526-Q530 VanDerWaalsContact O-N 3.09Å; G527-Q530 WeakPolarHBondContact O-CA 3.49Å; G527-Q530 WeakPolarHBondContact O-CB 3.48Å; G527-Q530 PolarHBondContact O-N 2.94Å; Q530-K534 WeakPolarHBondContact O-CB 3.4Å; Q530-K534 WeakPolarHBondContact O-CD 3.44Å; Q530-K534 WeakPolarHBondContact O-CG 3.49Å; Q530-K534 PolarHBondContact O-N 3.28Å; Q530-K534 VanDerWaalsContact O-N 3.08Å
531	E	90.9	Very high	82.8	Confident	137 Å²	137	66.4 Å²	66.4	64%	0.64	35%	0.354	S	S	*	.	H	α-helix	trans	-66.3	-50.4	173.5	-175.5	172	-165.8	0	0	111.4	G527 I529 V533 K534 A535	G527-E531 PolarHBondContact O-N 3.02Å; I529-E531 VanDerWaalsContact C-N 3.33Å; E531-V533 PolarHBondContact O-N 2.99Å; E531-K534 WeakPolarHBondContact O-CB 3.47Å; E531-K534 PolarHBondContact O-N 2.78Å; E531-A535 PolarHBondContact O-N 2.63Å
532	L	87.6	Confident	81.5	Confident	24 Å²	24	72.5 Å²	72.5	13%	0.126	38%	0.382	C	S	.	.	H	α-helix	trans	-55.9	-48.3	176.5	-178.7	61.7	0	0	0	111.9	L461 K462 M465 D528 I529 K534 A535 E536	L461-L532 HydrophobicContact CD2-CD2 4.42Å; L461-L532 HydrophobicContact CG-CD2 4.34Å; K462-L532 HydrophobicContact CG-CD1 3.96Å; K462-L532 HydrophobicContact CG-CD2 3.62Å; K462-L532 HydrophobicContact CG-CG 4.43Å; M465-L532 HydrophobicContact CE-CD2 4.27Å; M465-L532 HydrophobicContact CE-CG 3.94Å; M465-L532 HydrophobicContact SD-CD2 3.49Å; M465-L532 WeakPolarHBondContact SD-CD2 3.12Å; M465-L532 HydrophobicContact SD-CG 3.86Å; D528-L532 WeakPolarHBondContact O-CB 3.42Å; D528-L532 PolarHBondContact O-N 2.91Å; I529-L532 PolarHBondContact O-N 3.08Å; L532-K534 VanDerWaalsContact C-N 3.27Å; L532-K534 PolarHBondContact O-N 3.09Å; L532-A535 PolarHBondContact O-N 3.3Å; L532-E536 HydrophobicContact CD1-CG 4.06Å; L532-E536 HydrophobicContact CG-CG 4.45Å; L532-E536 WeakPolarHBondContact O-CB 3.49Å; L532-E536 WeakPolarHBondContact O-CG 3.29Å; L532-E536 PolarHBondContact O-N 3.14Å
533	V	86.5	Confident	79.9	Confident	35 Å²	35	73.4 Å²	73.4	21%	0.212	39%	0.385	C	S	.	.	H	α-helix	trans	-68.7	-22	178.1	172.4	0	0	0	0	112.8	M465 L512 I529 E531 R537	M465-V533 HydrophobicContact CE-CG2 3.76Å; L512-V533 HydrophobicContact CD1-CG2 3.91Å; I529-V533 HydrophobicContact CG2-CG2 4.22Å; I529-V533 VanDerWaalsContact O-CB 3.3Å; I529-V533 WeakPolarHBondContact O-CB 3.37Å; I529-V533 VanDerWaalsContact O-CG2 3.23Å; I529-V533 WeakPolarHBondContact O-CG2 3.39Å; I529-V533 PolarHBondContact O-N 3.24Å; E531-V533 PolarHBondContact O-N 2.99Å; V533-R537 WeakPolarHBondContact O-CB 3.41Å; V533-R537 PolarHBondContact O-N 3.04Å
534	K	85.7	Confident	78.1	Confident	126 Å²	126	68.7 Å²	68.7	55%	0.548	36%	0.364	S	S	.	.	H	α-helix	trans	-77.1	-51.3	172.6	-80.9	165.1	-179.6	165.8	0	111.5	Q530 E531 L532 E536 R537 G538	Q530-K534 WeakPolarHBondContact O-CB 3.4Å; Q530-K534 WeakPolarHBondContact O-CD 3.44Å; Q530-K534 WeakPolarHBondContact O-CG 3.49Å; Q530-K534 PolarHBondContact O-N 3.28Å; Q530-K534 VanDerWaalsContact O-N 3.08Å; E531-K534 WeakPolarHBondContact O-CB 3.47Å; E531-K534 PolarHBondContact O-N 2.78Å; L532-K534 VanDerWaalsContact C-N 3.27Å; L532-K534 PolarHBondContact O-N 3.09Å; K534-E536 VanDerWaalsContact C-N 3.33Å; K534-E536 PolarHBondContact O-N 3.27Å; K534-R537 CarbonylContact O-C 3.57Å; K534-R537 WeakPolarHBondContact O-CA 3.49Å; K534-R537 PolarHBondContact O-N 2.98Å; K534-G538 PolarHBondContact O-N 3.14Å
535	A	83.8	Confident	76.4	Confident	61 Å²	61	66.2 Å²	66.2	50%	0.504	36%	0.358	S	S	.	.	H	α-helix	trans	-55.8	-51.7	176.7	0	0	0	0	0	110	E531 L532 R537 G538	E531-A535 PolarHBondContact O-N 2.63Å; L532-A535 PolarHBondContact O-N 3.3Å; A535-R537 PolarHBondContact O-N 2.88Å; A535-G538 PolarHBondContact O-N 2.94Å
536	E	74.4	Confident	74.5	Confident	25 Å²	25	69 Å²	69	12%	0.117	38%	0.375	C	S	.	.	H	α-helix	trans	-63	-15.9	176.8	-66.1	-88.9	-138.1	0	0	113.5	M465 Q469 L532 K534 I540	M465-E536 WeakPolarHBondContact CB-OE1 3.14Å; M465-E536 HydrophobicContact CE-CB 4.21Å; M465-E536 HydrophobicContact CE-CG 4.01Å; Q469-E536 VanDerWaalsContact CG-OE2 3.23Å; Q469-E536 WeakPolarHBondContact CG-OE2 3.37Å; Q469-E536 PolarHBondContact NE2-O 3.44Å; Q469-E536 PolarHBondContact NE2-OE2 2.82Å; L532-E536 HydrophobicContact CD1-CG 4.06Å; L532-E536 HydrophobicContact CG-CG 4.45Å; L532-E536 WeakPolarHBondContact O-CB 3.49Å; L532-E536 WeakPolarHBondContact O-CG 3.29Å; L532-E536 PolarHBondContact O-N 3.14Å; K534-E536 VanDerWaalsContact C-N 3.33Å; K534-E536 PolarHBondContact O-N 3.27Å; E536-I540 WeakPolarHBondContact O-CD1 3.43Å; E536-I540 WeakPolarHBondContact O-CG1 3.48Å
537	R	70.9	Confident	72.3	Confident	127 Å²	127	64.8 Å²	64.8	48%	0.479	36%	0.357	S	S	.	.	H	α-helix	trans	-91.4	-16.5	169.8	-94.9	-172	169.5	141.4	1	114.8	E505 V533 K534 A535 I540 S541	E505-R537 IonicContact OE1-CZ 3.86Å; E505-R537 IonicContact OE1-NH2 2.67Å; E505-R537 PolarHBondContact OE1-NH2 2.79Å; V533-R537 WeakPolarHBondContact O-CB 3.41Å; V533-R537 PolarHBondContact O-N 3.04Å; K534-R537 CarbonylContact O-C 3.57Å; K534-R537 WeakPolarHBondContact O-CA 3.49Å; K534-R537 PolarHBondContact O-N 2.98Å; A535-R537 PolarHBondContact O-N 2.88Å; R537-I540 HydrophobicContact CG-CD1 4.42Å; R537-S541 PolarHBondContact O-N 3.42Å
538	G	67.1	Low	70.2	Confident	40 Å²	40	67.5 Å²	67.5	41%	0.412	36%	0.357	S	S	.	.	H	α-helix	trans	-63.2	-67.8	172.9	0	0	0	0	0	110.6	K534 A535 I540 S541 E542	K534-G538 PolarHBondContact O-N 3.14Å; A535-G538 PolarHBondContact O-N 2.94Å; G538-I540 PolarHBondContact O-N 2.86Å; G538-I540 VanDerWaalsContact O-N 3.07Å; G538-S541 PolarHBondContact O-N 3.4Å; G538-E542 PolarHBondContact O-N 2.87Å
539	D	64.7	Low	67.8	Low	65 Å²	65	68 Å²	68	35%	0.348	37%	0.366	S	S	.	.	H	α-helix	trans	-41.8	-45.5	171.5	-66.6	42.9	0	0	0	112.7	R473 S541 L543	R473-D539 IonicContact CZ-OD2 3.3Å; R473-D539 IonicContact NH1-OD2 2.9Å; R473-D539 PolarHBondContact NH1-OD2 3.02Å; D539-S541 PolarHBondContact O-N 2.89Å; D539-L543 WeakPolarHBondContact O-CB 3.49Å; D539-L543 PolarHBondContact O-N 2.81Å
540	I	60	Low	65.3	Low	36 Å²	36	74 Å²	74	19%	0.185	39%	0.393	C	S	.	.	H	α-helix	trans	-60.4	-44.4	-178.5	-81.4	-179.9	0	0	0	111.7	E536 R537 G538 M544	E536-I540 WeakPolarHBondContact O-CD1 3.43Å; E536-I540 WeakPolarHBondContact O-CG1 3.48Å; R537-I540 HydrophobicContact CG-CD1 4.42Å; G538-I540 PolarHBondContact O-N 2.86Å; G538-I540 VanDerWaalsContact O-N 3.07Å; I540-M544 WeakPolarHBondContact O-CB 3.35Å; I540-M544 WeakPolarHBondContact O-CG 3.27Å; I540-M544 PolarHBondContact O-N 2.64Å
541	S	56.4	Low	62.7	Low	73 Å²	73	75.3 Å²	75.3	51%	0.51	41%	0.409	S	S	.	.	H	α-helix	trans	-69.8	-46.8	-176.2	-167.8	0	0	0	0	110.1	R537 G538 D539 M544 T545	R537-S541 PolarHBondContact O-N 3.42Å; G538-S541 PolarHBondContact O-N 3.4Å; D539-S541 PolarHBondContact O-N 2.89Å; S541-M544 PolarHBondContact O-N 2.94Å; S541-T545 PolarHBondContact O-N 3.42Å; S541-T545 PolarHBondContact O-OG1 3.3Å
542	E	61.3	Low	60	Low	135 Å²	135	79.5 Å²	79.5	63%	0.631	42%	0.419	S	S	*	.	H	α-helix	trans	-60.3	-52.4	-178.7	-175.1	158.9	-150.4	0	0	112.2	G538 M544 T545 T546	G538-E542 PolarHBondContact O-N 2.87Å; E542-M544 PolarHBondContact O-N 2.9Å; E542-T545 VanDerWaalsContact CA-OG1 3.31Å; E542-T545 WeakPolarHBondContact CA-OG1 3.38Å; E542-T545 PolarHBondContact O-N 3.26Å; E542-T545 VanDerWaalsContact O-N 3.09Å; E542-T545 PolarHBondContact O-OG1 3.26Å; E542-T546 PolarHBondContact O-N 2.85Å; E542-T546 PolarHBondContact O-OG1 3.27Å
543	L	57.3	Low	57.2	Low	30 Å²	30	83.7 Å²	83.7	16%	0.157	45%	0.445	C	S	.	.	H	α-helix	trans	-62.4	-26.1	177.1	-118	102.4	0	0	0	113.3	R473 L476 D539 T546 S547	R473-L543 HydrophobicContact CG-CD2 4.42Å; L476-L543 HydrophobicContact CB-CD2 3.78Å; L476-L543 HydrophobicContact CD1-CB 4.11Å; L476-L543 HydrophobicContact CD1-CD2 3.82Å; L476-L543 HydrophobicContact CG-CD2 4.46Å; D539-L543 WeakPolarHBondContact O-CB 3.49Å; D539-L543 PolarHBondContact O-N 2.81Å; L543-T546 WeakPolarHBondContact CA-OG1 3.34Å; L543-T546 PolarHBondContact O-OG1 2.92Å; L543-S547 WeakPolarHBondContact O-CB 3.35Å; L543-S547 PolarHBondContact O-N 3.21Å; L543-S547 VanDerWaalsContact O-N 3.17Å; L543-S547 PolarHBondContact O-OG 2.88Å
544	M	55.2	Low	54.5	Low	60 Å²	60	88.8 Å²	88.8	30%	0.296	48%	0.476	S	S	.	.	H	α-helix	trans	-79.4	-40.4	174.4	-69	-76.1	-65.7	0	0	111.2	R472 L476 I540 S541 E542 T546 S547 F548	R472-M544 VanDerWaalsContact NH2-CG 3.3Å; R472-M544 PolarHBondContact NH2-SD 2.93Å; L476-M544 HydrophobicContact CD1-SD 4.09Å; L476-M544 HydrophobicContact CD2-SD 3.97Å; I540-M544 WeakPolarHBondContact O-CB 3.35Å; I540-M544 WeakPolarHBondContact O-CG 3.27Å; I540-M544 PolarHBondContact O-N 2.64Å; S541-M544 PolarHBondContact O-N 2.94Å; E542-M544 PolarHBondContact O-N 2.9Å; M544-T546 VanDerWaalsContact C-N 3.33Å; M544-T546 PolarHBondContact O-N 3.19Å; M544-S547 PolarHBondContact O-N 3.27Å; M544-F548 HydrophobicContact CE-CD2 3.95Å; M544-F548 HydrophobicContact CE-CE2 3.56Å; M544-F548 HydrophobicContact CE-CZ 4.48Å; M544-F548 WeakPolarHBondContact O-CB 3.33Å; M544-F548 WeakPolarHBondContact O-CD2 3.43Å; M544-F548 PolarHBondContact O-N 3.23Å; M544-F548 VanDerWaalsContact O-N 3.09Å; M544-F548 HydrophobicContact SD-CD2 4.26Å; M544-F548 HydrophobicContact SD-CE2 3.8Å
545	T	56.2	Low	52.1	Low	79 Å²	79	91.8 Å²	91.8	49%	0.485	49%	0.492	S	S	.	.	H	α-helix	trans	-64.3	-35.9	176.6	41.6	0	0	0	0	112.5	S541 E542 S549	S541-T545 PolarHBondContact O-N 3.42Å; S541-T545 PolarHBondContact O-OG1 3.3Å; E542-T545 VanDerWaalsContact CA-OG1 3.31Å; E542-T545 WeakPolarHBondContact CA-OG1 3.38Å; E542-T545 PolarHBondContact O-N 3.26Å; E542-T545 VanDerWaalsContact O-N 3.09Å; E542-T545 PolarHBondContact O-OG1 3.26Å; T545-S549 WeakPolarHBondContact O-CB 3.33Å; T545-S549 PolarHBondContact O-N 2.9Å; T545-S549 PolarHBondContact O-OG 3.36Å
546	T	51.3	Low	49.7	Very low	62 Å²	62	97.2 Å²	97.2	38%	0.38	51%	0.507	S	S	.	.	H	α-helix	trans	-69	-59.1	170.5	51.7	0	0	0	0	110.8	E542 L543 M544 F548 S549	E542-T546 PolarHBondContact O-N 2.85Å; E542-T546 PolarHBondContact O-OG1 3.27Å; L543-T546 WeakPolarHBondContact CA-OG1 3.34Å; L543-T546 PolarHBondContact O-OG1 2.92Å; M544-T546 VanDerWaalsContact C-N 3.33Å; M544-T546 PolarHBondContact O-N 3.19Å; T546-F548 PolarHBondContact O-N 3.49Å; T546-S549 PolarHBondContact O-N 2.92Å; T546-S549 VanDerWaalsContact O-N 3.14Å
547	S	46.1	Very low	47.5	Very low	12 Å²	12	103 Å²	103	8%	0.084	54%	0.538	C	S	.	.	H	α-helix	trans	-53.8	-24.8	-176	-63	0	0	0	0	116	Q480 L543 M544	Q480-S547 WeakPolarHBondContact CG-OG 3.48Å; L543-S547 WeakPolarHBondContact O-CB 3.35Å; L543-S547 PolarHBondContact O-N 3.21Å; L543-S547 VanDerWaalsContact O-N 3.17Å; L543-S547 PolarHBondContact O-OG 2.88Å; M544-S547 PolarHBondContact O-N 3.27Å
548	F	47.3	Very low	45.6	Very low	99 Å²	99	103.5 Å²	103.5	43%	0.434	56%	0.555	S	S	.	*	H	α-helix	trans	-113.5	-4.3	-177.6	-71	-81.1	0	0	0	115.1	Y479 M544 T546	Y479-F548 HydrophobicContact CE1-CE1 4.5Å; M544-F548 HydrophobicContact CE-CD2 3.95Å; M544-F548 HydrophobicContact CE-CE2 3.56Å; M544-F548 HydrophobicContact CE-CZ 4.48Å; M544-F548 WeakPolarHBondContact O-CB 3.33Å; M544-F548 WeakPolarHBondContact O-CD2 3.43Å; M544-F548 PolarHBondContact O-N 3.23Å; M544-F548 VanDerWaalsContact O-N 3.09Å; M544-F548 HydrophobicContact SD-CD2 4.26Å; M544-F548 HydrophobicContact SD-CE2 3.8Å; T546-F548 PolarHBondContact O-N 3.49Å
549	S	41.1	Very low	44	Very low	77 Å²	77	106.8 Å²	106.8	54%	0.538	57%	0.569	S	S	.	*	H	α-helix	trans	-97	-16.6	177.2	-57.1	0	0	0	0	114.1	T545 T546 T551	T545-S549 WeakPolarHBondContact O-CB 3.33Å; T545-S549 PolarHBondContact O-N 2.9Å; T545-S549 PolarHBondContact O-OG 3.36Å; T546-S549 PolarHBondContact O-N 2.92Å; T546-S549 VanDerWaalsContact O-N 3.14Å; S549-T551 PolarHBondContact O-N 3.45Å
550	E	37.8	Very low	42.2	Very low	149 Å²	149	108.6 Å²	108.6	70%	0.696	59%	0.593	S	S	*	*			trans	-76.3	23.3	-173.7	-66.5	-164.2	118.6	0	0	115.9	R552	E550-R552 PolarHBondContact O-N 2.95Å; E550-R552 VanDerWaalsContact O-N 3.14Å
551	T	35	Very low	40.7	Very low	130 Å²	130	114.9 Å²	114.9	80%	0.798	62%	0.622	S	S	*	*	S	Bend	trans	-84.5	61.8	154.7	56.3	0	0	0	0	110.9	S549 T553	S549-T551 PolarHBondContact O-N 3.45Å; T551-T553 PolarHBondContact O-N 3.29Å
552	R	34.3	Very low	39.4	Very low	225 Å²	225	116.4 Å²	116.4	85%	0.849	63%	0.632	S	S	*	*			trans	22.8	82.6	169	-157.4	168.5	-171.9	148.3	2.3	118.2	E550	E550-R552 PolarHBondContact O-N 2.95Å; E550-R552 VanDerWaalsContact O-N 3.14Å
553	T	29.3	Very low	37.8	Very low	112 Å²	112	119.8 Å²	119.8	69%	0.687	65%	0.648	S	S	*	*			trans	33.6	127.7	132.2	49.3	0	0	0	0	121.3	T551	T551-T553 PolarHBondContact O-N 3.29Å
554	T	29.2	Very low	36.4	Very low	141 Å²	141	127 Å²	127	87%	0.865	68%	0.681	S	S	*	*				-130.8	129.1	125.5	55.2	0	0	0	0	108.6
555	E	34.1	Very low	35.1	Very low	189 Å²	189	131.4 Å²	131.4	88%	0.883	70%	0.701	S	S	*	*			trans	-62.5	134.1	174	-63.1	159.9	89	0	0	111.6
556	E	33.4	Very low	33.9	Very low	176 Å²	176	135.4 Å²	135.4	82%	0.822	71%	0.712	S	S	*	*				-166.1	170.7	107.2	-148.4	-176.8	145.5	0	0	108.8
557	L	30.2	Very low	33	Very low	146 Å²	146	139.8 Å²	139.8	76%	0.764	73%	0.733	S	S	*	*			trans	75.5	81.2	173.1	-50.3	-179	0	0	0	116.9	P559	L557-P559 WeakPolarHBondContact O-CD 3.33Å
558	V	30.3	Very low	32.2	Very low	137 Å²	137	147.4 Å²	147.4	83%	0.83	77%	0.773	S	S	*	*			trans	-65	126.5	145.2	-178.6	0	0	0	0	108.5	A560	V558-A560 PolarHBondContact O-N 2.82Å
559	P	32.4	Very low	31.3	Very low	110 Å²	110	151.4 Å²	151.4	71%	0.714	79%	0.793	S	S	*	*			trans	-77	112.2	167.3	-9.8	27.1	0	0	0	109.4	L557 E561	L557-P559 WeakPolarHBondContact O-CD 3.33Å; P559-E561 PolarHBondContact O-N 3.45Å
560	A	28.1	Very low	30.8	Very low	103 Å²	103	156.9 Å²	156.9	85%	0.851	81%	0.81	S	S	*	*			trans	-81	103	165.8	0	0	0	0	0	108.9	V558	V558-A560 PolarHBondContact O-N 2.82Å
561	E	27.9	Very low	30.4	Very low	168 Å²	168	156.4 Å²	156.4	79%	0.785	81%	0.807	S	S	*	*			trans	-108.2	126.6	173.7	-67	-154.8	144.8	0	0	112	P559	P559-E561 PolarHBondContact O-N 3.45Å
562	S	28.8	Very low	30.1	Very low	104 Å²	104	158.6 Å²	158.6	73%	0.727	81%	0.809	S	S	*	*			trans	39.7	93.8	156	57.7	0	0	0	0	118.7	E564	S562-E564 PolarHBondContact O-N 3.24Å
563	E	27.8	Very low	29.9	Very low	206 Å²	206	157.5 Å²	157.5	96%	0.963	81%	0.813	S	S	*	*			trans	-72.5	101.8	145.7	-72.7	179.2	-154.8	0	0	109.3
564	E	28.8	Very low	30	Very low	181 Å²	181	160.8 Å²	160.8	85%	0.846	81%	0.813	S	S	*	*			trans	-114.7	103.8	155.7	-77.5	-163.4	171.4	0	0	108.9	S562	S562-E564 PolarHBondContact O-N 3.24Å
565	E	28	Very low	30	Very low	153 Å²	153	157.8 Å²	157.8	72%	0.715	80%	0.803	S	S	*	*				-160.7	127.4	127.1	-106	-159.5	171.6	0	0	113.9
566	K	30.3	Very low	29.6	Very low	163 Å²	163	158.4 Å²	158.4	71%	0.709	80%	0.803	S	S	*	*			trans	64.8	132.6	144.5	-66.6	168.6	-170.4	148.9	0	121.6
567	D	32.5	Very low	29.3	Very low	154 Å²	154	158.4 Å²	158.4	82%	0.824	80%	0.803	S	S	*	*			trans	-55.7	138.9	153.2	-44.7	-80.8	0	0	0	111.6
568	D	30.3	Very low	29.2	Very low	173 Å²	173	159.2 Å²	159.2	93%	0.925	81%	0.808	S	S	*	*			trans	-144	138.3	134.1	-107.1	-37.5	0	0	0	108
569	E	28.2	Very low	29	Very low	182 Å²	182	162.6 Å²	162.6	85%	0.85	81%	0.806	S	S	*	*			trans	-92.6	167.1	-174.5	-70.7	-167.2	143.4	0	0	113.1
570	E	30.1	Very low	28.9	Very low	193 Å²	193	162.7 Å²	162.7	90%	0.902	81%	0.806	S	S	*	*			trans	93.2	147.4	167.9	-51	-157	125	0	0	118.9
571	E	30	Very low	28.7	Very low	138 Å²	138	167.5 Å²	167.5	65%	0.645	80%	0.804	S	S	*	*	S	Bend	trans	75.6	66.4	166.4	-161.9	150.5	-173.1	0	0	120.9	R574	E571-R574 IonicContact OE1-CZ 3.12Å; E571-R574 IonicContact OE1-NH1 2.67Å; E571-R574 PolarHBondContact OE1-NH1 3.38Å; E571-R574 IonicContact OE1-NH2 2.73Å; E571-R574 PolarHBondContact OE1-NH2 3.04Å; E571-R574 IonicContact OE2-CZ 3.93Å; E571-R574 IonicContact OE2-NH2 3Å; E571-R574 PolarHBondContact OE2-NH2 3.01Å
572	E	28.8	Very low	29.2	Very low	176 Å²	176	164.5 Å²	164.5	82%	0.822	80%	0.799	S	S	*	*	S	Bend		-155.7	10.1	112.5	-123.6	-156.5	152.9	0	0	120.2	R574	E572-R574 PolarHBondContact O-N 3.38Å
573	E	29.3	Very low	29.5	Very low	203 Å²	203	165.1 Å²	165.1	95%	0.949	80%	0.8	S	S	*	*			trans	-77.3	61.3	169.8	-88	-108.6	133.2	0	0	113.1	A575	E573-A575 PolarHBondContact O-N 3.05Å
574	R	30.7	Very low	29.4	Very low	180 Å²	180	165.8 Å²	165.8	68%	0.679	79%	0.794	S	S	*	*			trans	-93.8	41.9	173.9	-72.2	-155.3	-167	98.4	-3.3	114.6	E571 E572	E571-R574 IonicContact OE1-CZ 3.12Å; E571-R574 IonicContact OE1-NH1 2.67Å; E571-R574 PolarHBondContact OE1-NH1 3.38Å; E571-R574 IonicContact OE1-NH2 2.73Å; E571-R574 PolarHBondContact OE1-NH2 3.04Å; E571-R574 IonicContact OE2-CZ 3.93Å; E571-R574 IonicContact OE2-NH2 3Å; E571-R574 PolarHBondContact OE2-NH2 3.01Å; E572-R574 PolarHBondContact O-N 3.38Å
575	A	29.4	Very low	29.3	Very low	79 Å²	79	165 Å²	165	65%	0.653	79%	0.794	S	S	*	*			trans	-150.6	73.6	173.5	0	0	0	0	0	115.9	E573	E573-A575 PolarHBondContact O-N 3.05Å
576	F	26.8	Very low	29.2	Very low	201 Å²	201	164.1 Å²	164.1	88%	0.882	79%	0.794	S	S	*	*				179.3	119	110.1	-107.2	-78.3	0	0	0	112.5
577	Q	26.5	Very low	29	Very low	177 Å²	177	164.4 Å²	164.4	83%	0.827	80%	0.803	S	S	*	*			trans	-73.9	128.2	167.2	-64.9	179.3	-3.6	0	0	110.4
578	N	28.4	Very low	28.6	Very low	163 Å²	163	165.1 Å²	165.1	87%	0.872	80%	0.801	S	S	*	*			trans	-173.7	123.8	134.8	-94.5	-44.4	0	0	0	113.6
579	R	25.5	Very low	28.3	Very low	208 Å²	208	162.3 Å²	162.3	79%	0.785	80%	0.795	S	S	*	*			trans	-73	163.8	160.5	-87.8	-178.8	173.8	177.2	-0.7	109.6
580	P	29.7	Very low	28.1	Very low	111 Å²	111	160.8 Å²	160.8	72%	0.721	79%	0.793	S	S	*	*			cis	-156.5	134.1	39.5	38.3	-13.9	0	0	0	120.9
581	Y	24.3	Very low	27.8	Very low	204 Å²	204	159.8 Å²	159.8	80%	0.8	79%	0.785	S	S	*	*			trans	60.9	172.2	138.8	-90.6	-38.7	0	0	0	120.9
582	P	38.6	Very low	27.5	Very low	106 Å²	106	160.9 Å²	160.9	69%	0.688	79%	0.788	S	S	*	*			trans	-122	-169.6	-148.8	43.7	-25.9	0	0	0	113.6
583	P	34.8	Very low	27.3	Very low	116 Å²	116	158.4 Å²	158.4	75%	0.753	78%	0.777	S	S	*	*				-153.5	162.8	89.3	40.5	-22.1	0	0	0	118.2
584	R	25.4	Very low	27.1	Very low	220 Å²	220	155 Å²	155	83%	0.83	77%	0.765	S	S	*	*			trans	11.5	147	145.6	-69.1	-179.6	168.2	177.1	-4.8	121.3
585	I	28.3	Very low	26.9	Very low	166 Å²	166	153.9 Å²	153.9	85%	0.851	77%	0.767	S	S	*	*				-164.1	131.8	106.3	-97.3	152.9	0	0	0	111.1
586	D	24.8	Very low	26.8	Very low	133 Å²	133	159.4 Å²	159.4	71%	0.711	77%	0.773	S	S	*	*			trans	-86	149.3	164.6	-54.3	-87.6	0	0	0	110.6
587	L	26.5	Very low	26.7	Very low	170 Å²	170	156.6 Å²	156.6	89%	0.89	77%	0.767	S	S	*	*				-177.9	166.8	117.7	-101.4	156.6	0	0	0	114.7
588	Q	23.8	Very low	26.6	Very low	168 Å²	168	156.8 Å²	156.8	79%	0.785	76%	0.761	S	S	*	*			trans	-98.2	177	-172.6	-58.7	171.3	-25.4	0	0	113.2
589	S	23.5	Very low	26.6	Very low	115 Å²	115	153.3 Å²	153.3	80%	0.804	75%	0.746	S	S	*	*			trans	85.6	129.1	155.7	72.9	0	0	0	0	117.4
590	N	24.2	Very low	26.8	Very low	150 Å²	150	149.6 Å²	149.6	80%	0.802	75%	0.747	S	S	*	*			cis	94.6	150.6	31	-169.9	10	0	0	0	112.5
591	K	23.9	Very low	26.9	Very low	171 Å²	171	149.4 Å²	149.4	74%	0.743	75%	0.748	S	S	*	*			trans	86.4	118.8	-174.4	-63.1	-167.5	177.7	-177.3	0	114.2
592	K	24.5	Very low	27.2	Very low	162 Å²	162	146.4 Å²	146.4	70%	0.704	74%	0.741	S	S	*	*				86.3	158	70.2	-80.7	178.1	141	-140.2	0	111.1
593	E	24.6	Very low	26.6	Very low	124 Å²	124	151.3 Å²	151.3	58%	0.579	75%	0.746	S	S	*	*			cis	-159.2	177.7	20.3	-135.3	142.6	175.7	0	0	110.7
594	D	26	Very low	26.4	Very low	132 Å²	132	149.2 Å²	149.2	71%	0.706	75%	0.746	S	S	*	*			trans	69.5	157.4	150.3	-61.7	-21.4	0	0	0	120.3
595	E	26.4	Very low	27.3	Very low	155 Å²	155	144 Å²	144	72%	0.724	74%	0.741	S	S	*	*			cis	-165	131.9	-5.5	144.6	131.5	-121.7	0	0	113
596	Y	26.2	Very low	27.4	Very low	196 Å²	196	141.2 Å²	141.2	77%	0.769	73%	0.731	S	S	*	*			trans	24.5	117.1	157.1	-51.9	-102.7	0	0	0	122.4
597	D	24.6	Very low	27.7	Very low	141 Å²	141	144.2 Å²	144.2	75%	0.754	73%	0.734	S	S	*	*				89.1	-179.7	98.6	-140.6	6.7	0	0	0	113.9
598	Y	24.8	Very low	27.9	Very low	181 Å²	181	144.1 Å²	144.1	71%	0.71	73%	0.729	S	S	*	*			cis	-156.5	106	8.7	176.1	-98.2	0	0	0	115
599	T	29.1	Very low	28.2	Very low	90 Å²	90	145.6 Å²	145.6	55%	0.552	73%	0.729	S	S	*	*			trans	66.5	167.4	150.6	77.9	0	0	0	0	125.3
600	T	29.5	Very low	28.8	Very low	131 Å²	131	146.9 Å²	146.9	80%	0.804	72%	0.722	S	S	*	*			trans	82.9	125.5	149.8	-57.3	0	0	0	0	117.3
601	S	31	Very low	29	Very low	107 Å²	107	145.6 Å²	145.6	75%	0.748	71%	0.711	S	S	*	*			cis	-167.2	-179.5	-12.6	-156.3	0	0	0	0	106.8
602	E	31	Very low	29.4	Very low	140 Å²	140	145 Å²	145	65%	0.654	71%	0.709	S	S	*	*			cis	-142.9	-155.2	15.2	-57.2	-177.4	121.7	0	0	108.9
603	R	25.8	Very low	29.4	Very low	209 Å²	209	144.8 Å²	144.8	79%	0.789	71%	0.714	S	S	*	*			cis	-151.5	-41.5	2.7	-154	173.9	178	88.2	19	116.9
604	G	30.6	Very low	29.4	Very low	73 Å²	73	145.4 Å²	145.4	75%	0.753	72%	0.721	S	S	*	*			trans	110.2	-157.8	177.6	0	0	0	0	0	116.1
605	P	45.6	Very low	29.3	Very low	111 Å²	111	145.5 Å²	145.5	72%	0.721	73%	0.726	S	S	*	*			cis	-137.1	-179.2	14.9	43.4	-26.6	0	0	0	118.4
606	T	28.9	Very low	29.1	Very low	107 Å²	107	143.4 Å²	143.4	66%	0.656	73%	0.729	S	S	*	*			trans	68.5	153.6	159.6	43.4	0	0	0	0	118.7
607	Y	31.7	Very low	29.1	Very low	196 Å²	196	138.3 Å²	138.3	77%	0.769	73%	0.727	S	S	*	*			cis	-177.6	173.1	-18.2	55.5	-176.8	0	0	0	109.4
608	E	29.6	Very low	29.1	Very low	167 Å²	167	140 Å²	140	78%	0.78	73%	0.73	S	S	*	*			cis	-174.9	156.8	-23.8	-97.6	159.2	-123.3	0	0	106.2
609	Y	31.4	Very low	29.1	Very low	200 Å²	200	138.3 Å²	138.3	78%	0.784	73%	0.733	S	S	*	*			cis	-159.2	-163.2	-7.2	-166.8	-117.6	0	0	0	110.7
610	E	35.2	Very low	29.1	Very low	141 Å²	141	141.2 Å²	141.2	66%	0.659	74%	0.738	S	S	*	*			trans	-94.2	-177.3	-172.8	-55.7	-175.9	75.9	0	0	114.5
611	E	28.5	Very low	28.9	Very low	124 Å²	124	142.5 Å²	142.5	58%	0.579	74%	0.735	S	S	*	*			cis	-152.2	-130.8	18.2	-146.5	-89.1	148.4	0	0	113.3
612	K	33	Very low	28.6	Very low	159 Å²	159	143 Å²	143	69%	0.691	73%	0.733	S	S	*	*			trans	-126.8	169.4	-167.4	-55.8	173.5	-171.3	91.8	0	115.3
613	I	24.6	Very low	28.4	Very low	157 Å²	157	144 Å²	144	81%	0.805	74%	0.742	S	S	*	*			trans	154.9	150.6	131.9	-79.5	163	0	0	0	113.3
614	N	23.2	Very low	28.6	Very low	137 Å²	137	143.1 Å²	143.1	73%	0.733	74%	0.744	S	S	*	*			trans	-53.1	150.1	179.3	-53.5	-32.5	0	0	0	115.6
615	T	24.1	Very low	29	Very low	134 Å²	134	144.5 Å²	144.5	82%	0.822	74%	0.74	S	S	*	*				173.7	140.9	104.2	32.6	0	0	0	0	116.1
616	S	23.2	Very low	28.2	Very low	110 Å²	110	145.4 Å²	145.4	77%	0.769	74%	0.739	S	S	*	*			trans	10.5	143	150.2	65.1	0	0	0	0	125.2
617	A	25	Very low	28	Very low	89 Å²	89	147.9 Å²	147.9	74%	0.736	74%	0.743	S	S	*	*			trans	98.4	133.6	130.8	0	0	0	0	0	121.9
618	E	25	Very low	28.1	Very low	176 Å²	176	146.5 Å²	146.5	82%	0.822	75%	0.747	S	S	*	*			trans	26.5	133.5	150.2	-57.2	-170	102.4	0	0	121.5
619	L	25.6	Very low	28	Very low	147 Å²	147	142.9 Å²	142.9	77%	0.77	75%	0.745	S	S	*	*				-170.1	143.8	100.4	-165	56.2	0	0	0	114.7
620	K	28.1	Very low	28.2	Very low	150 Å²	150	145.2 Å²	145.2	65%	0.652	75%	0.753	S	S	*	*			trans	-23.4	159.8	151.7	-66.7	168	-169.7	160.8	0	116.6
621	Q	25.6	Very low	27.8	Very low	159 Å²	159	146 Å²	146	74%	0.743	76%	0.762	S	S	*	*			cis	-174.2	172.2	10.5	-121.5	169.3	-31	0	0	112.7
622	V	25.8	Very low	28	Very low	116 Å²	116	147.4 Å²	147.4	70%	0.703	77%	0.768	S	S	*	*			trans	59.5	116.8	143	171.1	0	0	0	0	120
623	L	25.6	Very low	27.9	Very low	163 Å²	163	148.1 Å²	148.1	85%	0.853	78%	0.778	S	S	*	*				-156.4	137.3	111.7	-149.3	61.3	0	0	0	113.3
624	K	30.5	Very low	28.2	Very low	189 Å²	189	148.4 Å²	148.4	82%	0.822	78%	0.777	S	S	*	*			trans	-128.4	170.2	161.6	-87.1	-166.3	176.5	-171	0	105.5
625	P	39.3	Very low	29.2	Very low	102 Å²	102	147.7 Å²	147.7	66%	0.662	78%	0.779	S	S	*	*			cis	-142.9	-169.8	18.1	41.4	-20.1	0	0	0	115.6
626	N	27.6	Very low	29.6	Very low	131 Å²	131	149.2 Å²	149.2	70%	0.701	78%	0.783	S	S	*	*			trans	48.5	161	136.7	-71.3	25.4	0	0	0	121.8
627	E	26	Very low	30.3	Very low	159 Å²	159	147.9 Å²	147.9	74%	0.743	78%	0.778	S	S	*	*			cis	-162.6	-162.6	-0.1	-124.5	167.7	126.2	0	0	110.2
628	I	32.6	Very low	31	Very low	167 Å²	167	151.5 Å²	151.5	86%	0.856	78%	0.784	S	S	*	*			trans	81.3	132.8	160.9	-47.7	-179.5	0	0	0	115.6
629	A	28.6	Very low	32.1	Very low	90 Å²	90	150.8 Å²	150.8	74%	0.744	79%	0.786	S	S	*	*			cis	-163	166.6	-25.5	0	0	0	0	0	109.2
630	R	34.8	Very low	33.5	Very low	249 Å²	249	149.5 Å²	149.5	94%	0.94	78%	0.784	S	S	*	*			trans	-96.9	156.5	159.1	-81.5	-175.2	168.9	128.6	-2.9	109.6
631	D	27.8	Very low	34.5	Very low	159 Å²	159	151.5 Å²	151.5	85%	0.85	79%	0.793	S	S	*	*			trans	-139.6	162.3	157.5	-149.4	-17.2	0	0	0	109.8
632	E	31.1	Very low	36.1	Very low	153 Å²	153	149.7 Å²	149.7	72%	0.715	79%	0.789	S	S	*	*			trans	-102.5	162.4	-165.6	-60.3	178.9	69.7	0	0	113.7
633	L	31.5	Very low	37.8	Very low	173 Å²	173	155 Å²	155	91%	0.906	80%	0.796	S	S	*	*				-164.1	171.9	115.6	-125.5	67.2	0	0	0	113
634	Q	31.7	Very low	39.4	Very low	164 Å²	164	150.2 Å²	150.2	77%	0.766	79%	0.786	S	S	*	*			trans	-97.1	157.7	-160.1	-66.5	175.2	2	0	0	114.7
635	P	42.9	Very low	40.9	Very low	122 Å²	122	143.6 Å²	143.6	79%	0.792	77%	0.766	S	S	*	*			trans	-87.2	157.2	170.6	36.6	-34.8	0	0	0	112.3
636	D	33	Very low	42	Very low	166 Å²	166	145 Å²	145	89%	0.888	77%	0.766	S	S	*	*			trans	-155.8	160.8	155.3	-143.7	-20.8	0	0	0	113.1
637	A	37.3	Very low	43.9	Very low	81 Å²	81	143 Å²	143	67%	0.669	76%	0.758	S	S	*	*			trans	61.5	80.8	164.9	0	0	0	0	0	120.5
638	L	40.2	Very low	46	Very low	165 Å²	165	137.1 Å²	137.1	86%	0.864	74%	0.74	S	S	*	*			trans	-152.8	36.1	132.7	-148.9	81.7	0	0	0	115.1	T640	L638-T640 PolarHBondContact O-N 3.38Å
639	D	48.7	Very low	48.1	Very low	162 Å²	162	135 Å²	135	87%	0.866	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	102.2	173.7	-171.5	14.4	0	0	0	111.2
640	T	54	Low	50.3	Low	119 Å²	119	135.5 Å²	135.5	73%	0.73	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-169.8	-29.1	161.5	3.5	0	0	0	0	114.3	L638	L638-T640 PolarHBondContact O-N 3.38Å
641	F	50.1	Low	52.5	Low	192 Å²	192	128.3 Å²	128.3	84%	0.842	70%	0.703	S	S	*	*	S	Bend	trans	-114.5	79.1	-173.3	-87.5	-88.4	0	0	0	113.4
642	N	59.5	Low	54.9	Low	122 Å²	122	124.6 Å²	124.6	65%	0.652	69%	0.686	S	S	*	*			trans	-164.1	0.1	154.6	-107.8	-32.9	0	0	0	116.6	G644 A645 M646	N642-G644 VanDerWaalsContact C-N 3.25Å; N642-G644 PolarHBondContact O-N 3.29Å; N642-A645 PolarHBondContact O-N 3.01Å; N642-A645 VanDerWaalsContact O-N 3.1Å; N642-A645 VanDerWaalsContact OD1-CB 3.31Å; N642-A645 WeakPolarHBondContact OD1-CB 3.45Å; N642-M646 PolarHBondContact O-N 3.42Å
643	R	60.3	Low	57.2	Low	228 Å²	228	119.9 Å²	119.9	86%	0.86	67%	0.673	S	S	*	*	H	α-helix	trans	-61.3	-29.5	-174.9	-139.9	174	-166.8	163.3	5.6	114.1	V647	R643-V647 WeakPolarHBondContact O-CG2 3.37Å
644	G	60.3	Low	59.8	Low	61 Å²	61	116 Å²	116	63%	0.629	66%	0.657	S	S	*	*	H	α-helix	trans	-74.1	-43.1	172.8	0	0	0	0	0	113.3	N642 V647 G648	N642-G644 VanDerWaalsContact C-N 3.25Å; N642-G644 PolarHBondContact O-N 3.29Å; G644-V647 PolarHBondContact O-N 3.37Å; G644-G648 PolarHBondContact O-N 2.92Å
645	A	61.3	Low	62.1	Low	50 Å²	50	110.8 Å²	110.8	41%	0.413	64%	0.641	S	S	.	*	H	α-helix	trans	-64.4	-41.6	179.8	0	0	0	0	0	112	N642 V647 G648 L649	N642-A645 PolarHBondContact O-N 3.01Å; N642-A645 VanDerWaalsContact O-N 3.1Å; N642-A645 VanDerWaalsContact OD1-CB 3.31Å; N642-A645 WeakPolarHBondContact OD1-CB 3.45Å; A645-V647 VanDerWaalsContact C-N 3.35Å; A645-V647 PolarHBondContact O-N 3.25Å; A645-G648 PolarHBondContact O-N 2.95Å; A645-L649 WeakPolarHBondContact O-CG 3.41Å; A645-L649 PolarHBondContact O-N 3.05Å
646	M	62.4	Low	64.2	Low	132 Å²	132	109.5 Å²	109.5	65%	0.65	63%	0.627	S	S	*	*	H	α-helix	trans	-64.7	-38	176.8	-162.6	-175	-164.6	0	0	112.3	N642 L650	N642-M646 PolarHBondContact O-N 3.42Å; M646-L650 HydrophobicContact CG-CD1 4.38Å; M646-L650 WeakPolarHBondContact O-CB 3.42Å; M646-L650 VanDerWaalsContact O-CG 3.27Å; M646-L650 WeakPolarHBondContact O-CG 3.46Å; M646-L650 PolarHBondContact O-N 2.95Å
647	V	68.1	Low	66.7	Low	88 Å²	88	103.9 Å²	103.9	53%	0.533	60%	0.603	S	S	.	*	H	α-helix	trans	-67.3	-40.7	174.2	171.1	0	0	0	0	111.1	R643 G644 A645 L650 V651	R643-V647 WeakPolarHBondContact O-CG2 3.37Å; G644-V647 PolarHBondContact O-N 3.37Å; A645-V647 VanDerWaalsContact C-N 3.35Å; A645-V647 PolarHBondContact O-N 3.25Å; V647-L650 PolarHBondContact O-N 2.9Å; V647-V651 WeakPolarHBondContact O-CG2 3.36Å; V647-V651 PolarHBondContact O-N 3.37Å
648	G	70.4	Confident	69	Low	36 Å²	36	105.2 Å²	105.2	37%	0.371	60%	0.597	S	S	.	*	H	α-helix	trans	-59.3	-49.6	173.7	0	0	0	0	0	112.6	G644 A645 L650 V651 V652	G644-G648 PolarHBondContact O-N 2.92Å; A645-G648 PolarHBondContact O-N 2.95Å; G648-L650 VanDerWaalsContact C-N 3.34Å; G648-L650 PolarHBondContact O-N 3.23Å; G648-V651 PolarHBondContact O-N 3.38Å; G648-V652 WeakPolarHBondContact O-CG2 3.46Å; G648-V652 PolarHBondContact O-N 3.35Å
649	L	75.4	Confident	71.1	Confident	124 Å²	124	101.8 Å²	101.8	65%	0.649	58%	0.583	S	S	*	*	H	α-helix	trans	-61.7	-38.8	176.8	-73.6	170	0	0	0	112.5	A645 V652 A653	A645-L649 WeakPolarHBondContact O-CG 3.41Å; A645-L649 PolarHBondContact O-N 3.05Å; L649-V652 PolarHBondContact O-N 2.73Å; L649-A653 VanDerWaalsContact O-CB 3.27Å; L649-A653 WeakPolarHBondContact O-CB 3.41Å; L649-A653 PolarHBondContact O-N 3.36Å
650	L	76.1	Confident	72.8	Confident	100 Å²	100	99.7 Å²	99.7	52%	0.524	57%	0.569	S	S	.	*	H	α-helix	trans	-65.3	-39.5	175	-76.3	167.6	0	0	0	112.4	M646 V647 G648 A653 V654	M646-L650 HydrophobicContact CG-CD1 4.38Å; M646-L650 WeakPolarHBondContact O-CB 3.42Å; M646-L650 VanDerWaalsContact O-CG 3.27Å; M646-L650 WeakPolarHBondContact O-CG 3.46Å; M646-L650 PolarHBondContact O-N 2.95Å; V647-L650 PolarHBondContact O-N 2.9Å; G648-L650 VanDerWaalsContact C-N 3.34Å; G648-L650 PolarHBondContact O-N 3.23Å; L650-A653 PolarHBondContact O-N 3.33Å; L650-V654 WeakPolarHBondContact O-CB 3.06Å; L650-V654 VanDerWaalsContact O-CG2 3.29Å; L650-V654 WeakPolarHBondContact O-CG2 3.09Å; L650-V654 PolarHBondContact O-N 2.87Å
651	V	79.9	Confident	74.1	Confident	97 Å²	97	97.7 Å²	97.7	59%	0.588	56%	0.556	S	S	*	*	H	α-helix	trans	-66.1	-42	175.5	171.2	0	0	0	0	111.2	V647 G648 V654 A655	V647-V651 WeakPolarHBondContact O-CG2 3.36Å; V647-V651 PolarHBondContact O-N 3.37Å; G648-V651 PolarHBondContact O-N 3.38Å; V651-V654 PolarHBondContact O-N 2.97Å; V651-A655 WeakPolarHBondContact O-CB 3.49Å; V651-A655 PolarHBondContact O-N 2.04Å
652	V	78.8	Confident	75.5	Confident	82 Å²	82	92.8 Å²	92.8	50%	0.497	54%	0.538	S	S	.	.	H	α-helix	trans	-64.7	-43.8	175.3	172.6	0	0	0	0	111.3	G648 L649 V654 A655 I656	G648-V652 WeakPolarHBondContact O-CG2 3.46Å; G648-V652 PolarHBondContact O-N 3.35Å; L649-V652 PolarHBondContact O-N 2.73Å; V652-V654 PolarHBondContact O-N 3.06Å; V652-A655 PolarHBondContact O-N 2.97Å; V652-I656 HydrophobicContact CG1-CD1 3.81Å; V652-I656 HydrophobicContact CG1-CG1 4.48Å; V652-I656 WeakPolarHBondContact O-CG1 3.45Å; V652-I656 PolarHBondContact O-N 2.91Å
653	A	80.4	Confident	76.3	Confident	54 Å²	54	89.8 Å²	89.8	45%	0.446	53%	0.527	S	S	.	.	H	α-helix	trans	-62.5	-40.5	176.8	0	0	0	0	0	112.3	L649 L650 I656 A657	L649-A653 VanDerWaalsContact O-CB 3.27Å; L649-A653 WeakPolarHBondContact O-CB 3.41Å; L649-A653 PolarHBondContact O-N 3.36Å; L650-A653 PolarHBondContact O-N 3.33Å; A653-I656 PolarHBondContact O-N 2.96Å; A653-A657 VanDerWaalsContact O-CB 3.29Å; A653-A657 WeakPolarHBondContact O-CB 3.48Å; A653-A657 PolarHBondContact O-N 2.79Å
654	V	85.1	Confident	77	Confident	92 Å²	92	83.2 Å²	83.2	56%	0.558	51%	0.508	S	S	*	.	H	α-helix	trans	-65.8	-39.3	173.9	168.8	0	0	0	0	111.4	L650 V651 V652 A657 M658	L650-V654 WeakPolarHBondContact O-CB 3.06Å; L650-V654 VanDerWaalsContact O-CG2 3.29Å; L650-V654 WeakPolarHBondContact O-CG2 3.09Å; L650-V654 PolarHBondContact O-N 2.87Å; V651-V654 PolarHBondContact O-N 2.97Å; V652-V654 PolarHBondContact O-N 3.06Å; V654-A657 PolarHBondContact O-N 3.13Å; V654-M658 HydrophobicContact CG1-CG 4.38Å; V654-M658 WeakPolarHBondContact O-CB 3.47Å; V654-M658 VanDerWaalsContact O-CG 3.24Å; V654-M658 WeakPolarHBondContact O-CG 3.49Å; V654-M658 PolarHBondContact O-N 2.87Å
655	A	80.9	Confident	77.4	Confident	54 Å²	54	84.7 Å²	84.7	45%	0.446	50%	0.501	S	S	.	.	H	α-helix	trans	-63.1	-46.3	175.3	0	0	0	0	0	112	V651 V652 M658 V659	V651-A655 WeakPolarHBondContact O-CB 3.49Å; V651-A655 PolarHBondContact O-N 2.04Å; V652-A655 PolarHBondContact O-N 2.97Å; A655-M658 PolarHBondContact O-N 2.76Å; A655-V659 WeakPolarHBondContact O-CG2 3.26Å; A655-V659 PolarHBondContact O-N 3.03Å
656	I	86.4	Confident	77.6	Confident	94 Å²	94	88 Å²	88	48%	0.482	51%	0.511	S	S	.	.	H	α-helix	trans	-62.3	-43.6	176.1	-67.7	167.1	0	0	0	110.9	V652 A653 M658 V659 M660	V652-I656 HydrophobicContact CG1-CD1 3.81Å; V652-I656 HydrophobicContact CG1-CG1 4.48Å; V652-I656 WeakPolarHBondContact O-CG1 3.45Å; V652-I656 PolarHBondContact O-N 2.91Å; A653-I656 PolarHBondContact O-N 2.96Å; I656-M658 PolarHBondContact O-N 3.19Å; I656-V659 PolarHBondContact O-N 3.41Å; I656-M660 HydrophobicContact CG2-CE 3.91Å; I656-M660 PolarHBondContact O-N 3.4Å
657	A	85.4	Confident	77.7	Confident	48 Å²	48	86.5 Å²	86.5	40%	0.397	51%	0.509	S	S	.	.	H	α-helix	trans	-63	-40.8	176.3	0	0	0	0	0	112.2	A653 V654 M660 V661	A653-A657 VanDerWaalsContact O-CB 3.29Å; A653-A657 WeakPolarHBondContact O-CB 3.48Å; A653-A657 PolarHBondContact O-N 2.79Å; V654-A657 PolarHBondContact O-N 3.13Å; A657-M660 PolarHBondContact O-N 2.91Å; A657-V661 WeakPolarHBondContact O-CB 3.39Å; A657-V661 VanDerWaalsContact O-CG2 3.29Å; A657-V661 WeakPolarHBondContact O-CG2 3.32Å; A657-V661 PolarHBondContact O-N 2.94Å
658	M	84.5	Confident	77.1	Confident	110 Å²	110	91.1 Å²	91.1	54%	0.542	52%	0.517	S	S	.	.	H	α-helix	trans	-64.3	-41.7	174.9	-75.2	-68.3	-68.3	0	0	112	V654 A655 I656 V661 I662	V654-M658 HydrophobicContact CG1-CG 4.38Å; V654-M658 WeakPolarHBondContact O-CB 3.47Å; V654-M658 VanDerWaalsContact O-CG 3.24Å; V654-M658 WeakPolarHBondContact O-CG 3.49Å; V654-M658 PolarHBondContact O-N 2.87Å; A655-M658 PolarHBondContact O-N 2.76Å; I656-M658 PolarHBondContact O-N 3.19Å; M658-V661 PolarHBondContact O-N 3.02Å; M658-I662 WeakPolarHBondContact O-CB 3.47Å; M658-I662 WeakPolarHBondContact O-CD1 3.26Å; M658-I662 VanDerWaalsContact O-CG1 3.23Å; M658-I662 WeakPolarHBondContact O-CG1 3.31Å; M658-I662 PolarHBondContact O-N 3.47Å
659	V	85.3	Confident	76	Confident	93 Å²	93	99 Å²	99	56%	0.564	54%	0.536	S	S	*	.	H	α-helix	trans	-62.8	-46.8	173.9	171.4	0	0	0	0	110.8	A655 I656 V661 I662 S663	A655-V659 WeakPolarHBondContact O-CG2 3.26Å; A655-V659 PolarHBondContact O-N 3.03Å; I656-V659 PolarHBondContact O-N 3.41Å; V659-V661 PolarHBondContact O-N 3.37Å; V659-I662 PolarHBondContact O-N 3.5Å; V659-S663 PolarHBondContact O-N 3.04Å; V659-S663 PolarHBondContact O-OG 3.15Å
660	M	84.1	Confident	74.4	Confident	118 Å²	118	101 Å²	101	58%	0.581	54%	0.539	S	S	*	.	H	α-helix	trans	-62.5	-39.1	176.4	-77	-156.3	-86.3	0	0	112.8	I656 A657 S663 L664	I656-M660 HydrophobicContact CG2-CE 3.91Å; I656-M660 PolarHBondContact O-N 3.4Å; A657-M660 PolarHBondContact O-N 2.91Å; M660-S663 PolarHBondContact O-N 3.23Å; M660-L664 VanDerWaalsContact O-CB 3.3Å; M660-L664 WeakPolarHBondContact O-CB 3.21Å; M660-L664 VanDerWaalsContact O-CG 3.26Å; M660-L664 WeakPolarHBondContact O-CG 3.25Å; M660-L664 PolarHBondContact O-N 3.48Å
661	V	82.1	Confident	72.9	Confident	76 Å²	76	102 Å²	102	46%	0.461	55%	0.552	S	S	.	*	H	α-helix	trans	-66.6	-40.2	174.9	168.1	0	0	0	0	111.4	A657 M658 V659 L664 L665	A657-V661 WeakPolarHBondContact O-CB 3.39Å; A657-V661 VanDerWaalsContact O-CG2 3.29Å; A657-V661 WeakPolarHBondContact O-CG2 3.32Å; A657-V661 PolarHBondContact O-N 2.94Å; M658-V661 PolarHBondContact O-N 3.02Å; V659-V661 PolarHBondContact O-N 3.37Å; V661-L664 PolarHBondContact O-N 3.26Å; V661-L665 HydrophobicContact CG1-CD1 3.83Å; V661-L665 HydrophobicContact CG1-CG 4.36Å; V661-L665 VanDerWaalsContact O-CB 3.29Å; V661-L665 WeakPolarHBondContact O-CB 3.3Å; V661-L665 WeakPolarHBondContact O-CG 3.42Å; V661-L665 PolarHBondContact O-N 2.93Å
662	I	79.6	Confident	70.7	Confident	90 Å²	90	107.9 Å²	107.9	46%	0.462	57%	0.565	S	S	.	*	H	α-helix	trans	-64.2	-46.8	175	-70.8	164.4	0	0	0	110.5	M658 V659 L664 L665 L666	M658-I662 WeakPolarHBondContact O-CB 3.47Å; M658-I662 WeakPolarHBondContact O-CD1 3.26Å; M658-I662 VanDerWaalsContact O-CG1 3.23Å; M658-I662 WeakPolarHBondContact O-CG1 3.31Å; M658-I662 PolarHBondContact O-N 3.47Å; V659-I662 PolarHBondContact O-N 3.5Å; I662-L664 PolarHBondContact O-N 2.84Å; I662-L665 CarbonylContact O-C 3.54Å; I662-L665 PolarHBondContact O-N 2.81Å; I662-L666 HydrophobicContact CG2-CD1 4.08Å; I662-L666 HydrophobicContact CG2-CG 4.5Å; I662-L666 WeakPolarHBondContact O-CG 3.4Å; I662-L666 PolarHBondContact O-N 3.31Å
663	S	75.9	Confident	68.6	Low	59 Å²	59	107.6 Å²	107.6	41%	0.413	58%	0.579	S	S	.	*	H	α-helix	trans	-60.1	-44.9	175.4	-64.6	0	0	0	0	112.1	V659 M660 L665 L666 V667	V659-S663 PolarHBondContact O-N 3.04Å; V659-S663 PolarHBondContact O-OG 3.15Å; M660-S663 PolarHBondContact O-N 3.23Å; S663-L665 VanDerWaalsContact C-N 3.31Å; S663-L665 PolarHBondContact O-N 3.31Å; S663-L666 PolarHBondContact O-N 2.9Å; S663-V667 WeakPolarHBondContact O-CG2 3.24Å; S663-V667 PolarHBondContact O-N 3.15Å
664	L	73.8	Confident	66.3	Low	89 Å²	89	110.7 Å²	110.7	47%	0.466	59%	0.593	S	S	.	*	H	α-helix	trans	-66	-31.1	175.7	-74.9	170	0	0	0	112.9	M660 V661 I662 R668	M660-L664 VanDerWaalsContact O-CB 3.3Å; M660-L664 WeakPolarHBondContact O-CB 3.21Å; M660-L664 VanDerWaalsContact O-CG 3.26Å; M660-L664 WeakPolarHBondContact O-CG 3.25Å; M660-L664 PolarHBondContact O-N 3.48Å; V661-L664 PolarHBondContact O-N 3.26Å; I662-L664 PolarHBondContact O-N 2.84Å; L664-R668 VanDerWaalsContact O-CB 3.25Å; L664-R668 WeakPolarHBondContact O-CB 3.39Å; L664-R668 WeakPolarHBondContact O-CG 3.41Å; L664-R668 PolarHBondContact O-N 2.97Å
665	L	69.7	Low	63.9	Low	93 Å²	93	114.1 Å²	114.1	49%	0.487	61%	0.606	S	S	.	*	H	α-helix	trans	-75.6	-30.9	173.6	-76.3	171.1	0	0	0	112.6	V661 I662 S663 R669	V661-L665 HydrophobicContact CG1-CD1 3.83Å; V661-L665 HydrophobicContact CG1-CG 4.36Å; V661-L665 VanDerWaalsContact O-CB 3.29Å; V661-L665 WeakPolarHBondContact O-CB 3.3Å; V661-L665 WeakPolarHBondContact O-CG 3.42Å; V661-L665 PolarHBondContact O-N 2.93Å; I662-L665 CarbonylContact O-C 3.54Å; I662-L665 PolarHBondContact O-N 2.81Å; S663-L665 VanDerWaalsContact C-N 3.31Å; S663-L665 PolarHBondContact O-N 3.31Å; L665-R669 WeakPolarHBondContact O-CB 3.44Å; L665-R669 WeakPolarHBondContact O-CG 3.45Å; L665-R669 PolarHBondContact O-N 2.76Å
666	L	65.9	Low	61.4	Low	118 Å²	118	116.8 Å²	116.8	62%	0.618	62%	0.622	S	S	*	*	H	α-helix	trans	-70.7	-44.6	171.2	-70.6	170.2	0	0	0	110.8	I662 S663 R669 K670	I662-L666 HydrophobicContact CG2-CD1 4.08Å; I662-L666 HydrophobicContact CG2-CG 4.5Å; I662-L666 WeakPolarHBondContact O-CG 3.4Å; I662-L666 PolarHBondContact O-N 3.31Å; S663-L666 PolarHBondContact O-N 2.9Å; L666-R669 PolarHBondContact O-N 3.36Å; L666-R669 VanDerWaalsContact O-N 3.1Å; L666-K670 PolarHBondContact O-N 2.87Å
667	V	64.6	Low	59	Low	101 Å²	101	122.1 Å²	122.1	61%	0.612	64%	0.644	S	S	*	*	H	α-helix	trans	-60.5	-46.4	173.8	170.7	0	0	0	0	111.1	S663 R669 K670	S663-V667 WeakPolarHBondContact O-CG2 3.24Å; S663-V667 PolarHBondContact O-N 3.15Å; V667-R669 PolarHBondContact O-N 3.26Å; V667-K670 PolarHBondContact O-N 3.3Å
668	R	55.3	Low	56.3	Low	186 Å²	186	123 Å²	123	70%	0.702	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-2.5	174.9	-73.7	-173.7	167.6	106.2	-2.2	114.9	L664	L664-R668 VanDerWaalsContact O-CB 3.25Å; L664-R668 WeakPolarHBondContact O-CB 3.39Å; L664-R668 WeakPolarHBondContact O-CG 3.41Å; L664-R668 PolarHBondContact O-N 2.97Å
669	R	45.8	Very low	54.2	Low	202 Å²	202	125.5 Å²	125.5	76%	0.762	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	10.1	172.7	-81.6	179.8	169.1	-172.3	-2.7	114	L665 L666 V667 P671	L665-R669 WeakPolarHBondContact O-CB 3.44Å; L665-R669 WeakPolarHBondContact O-CG 3.45Å; L665-R669 PolarHBondContact O-N 2.76Å; L666-R669 PolarHBondContact O-N 3.36Å; L666-R669 VanDerWaalsContact O-N 3.1Å; V667-R669 PolarHBondContact O-N 3.26Å; R669-P671 WeakPolarHBondContact O-CD 3.31Å
670	K	42.8	Very low	51.9	Low	165 Å²	165	126.2 Å²	126.2	72%	0.717	68%	0.675	S	S	*	*	S	Bend	trans	-59.4	120.9	152.3	-74.5	-171.2	174.6	-176.3	0	107.6	L666 V667 Y672	L666-K670 PolarHBondContact O-N 2.87Å; V667-K670 PolarHBondContact O-N 3.3Å; K670-Y672 PolarHBondContact O-N 3.42Å
671	P	43.8	Very low	49.9	Very low	122 Å²	122	129.3 Å²	129.3	79%	0.792	69%	0.689	S	S	*	*			trans	-69	127.8	-178.7	27.3	-33.2	0	0	0	109.7	R669 G673	R669-P671 WeakPolarHBondContact O-CD 3.31Å; P671-G673 VanDerWaalsContact C-N 3.31Å; P671-G673 PolarHBondContact O-N 3.18Å
672	Y	35.3	Very low	48	Very low	219 Å²	219	130.8 Å²	130.8	86%	0.859	70%	0.697	S	S	*	*			trans	-70.8	90	167.8	-75.3	-88.3	0	0	0	108.8	K670 T674	K670-Y672 PolarHBondContact O-N 3.42Å; Y672-T674 PolarHBondContact O-N 3.43Å
673	G	33.8	Very low	46.2	Very low	77 Å²	77	130.2 Å²	130.2	79%	0.794	70%	0.695	S	S	*	*			trans	-66.2	118.9	171.7	0	0	0	0	0	110.2	P671	P671-G673 VanDerWaalsContact C-N 3.31Å; P671-G673 PolarHBondContact O-N 3.18Å
674	T	31.9	Very low	44.8	Very low	119 Å²	119	132.6 Å²	132.6	73%	0.73	71%	0.709	S	S	*	*			trans	-95	128.2	-178.6	51.9	0	0	0	0	111.7	Y672	Y672-T674 PolarHBondContact O-N 3.43Å
675	I	35.3	Very low	43.3	Very low	163 Å²	163	134.5 Å²	134.5	84%	0.836	72%	0.717	S	S	*	*			trans	66.9	112.6	152.3	-54.3	158.2	0	0	0	117
676	S	27	Very low	42.3	Very low	111 Å²	111	132 Å²	132	78%	0.776	71%	0.705	S	S	*	*				-171.6	146	117.4	54.7	0	0	0	0	111.4
677	H	36.3	Very low	42	Very low	206 Å²	206	129.7 Å²	129.7	95%	0.954	70%	0.695	S	S	*	*			trans	-67	137.4	164.3	-88.6	-101.7	0	0	0	110.2
678	G	28.4	Very low	41.6	Very low	65 Å²	65	129.7 Å²	129.7	67%	0.67	70%	0.697	S	S	*	*			trans	172.3	119.9	172.4	0	0	0	0	0	108.5	V680	G678-V680 PolarHBondContact O-N 2.04Å
679	I	41.8	Very low	41.7	Very low	163 Å²	163	128 Å²	128	84%	0.836	70%	0.697	S	S	*	*			trans	-74.5	113	-179.3	-64.7	171.5	0	0	0	108.1	E681	I679-E681 HydrophobicContact CG2-CG 4.49Å
680	V	36.9	Very low	42.6	Very low	108 Å²	108	122.8 Å²	122.8	66%	0.655	68%	0.681	S	S	*	*			trans	-136.6	104.9	158.8	-180	0	0	0	0	105.2	G678 V682	G678-V680 PolarHBondContact O-N 2.04Å; V680-V682 HydrophobicContact CG1-CG2 4.08Å; V680-V682 PolarHBondContact O-N 2.8Å
681	E	41.6	Very low	43.7	Very low	184 Å²	184	120.1 Å²	120.1	86%	0.86	67%	0.667	S	S	*	*			trans	-68.1	122.5	170.2	-67.9	173.1	155.4	0	0	107.4	I679	I679-E681 HydrophobicContact CG2-CG 4.49Å
682	V	41.6	Very low	44.4	Very low	106 Å²	106	120 Å²	120	64%	0.642	66%	0.656	S	S	*	*			trans	-112.6	102.9	178	-179.4	0	0	0	0	107	V680	V680-V682 HydrophobicContact CG1-CG2 4.08Å; V680-V682 PolarHBondContact O-N 2.8Å
683	D	41.8	Very low	45.8	Very low	79 Å²	79	114.5 Å²	114.5	42%	0.422	64%	0.641	S	S	.	*			trans	-58.3	132.4	-173.5	-156	-64.7	0	0	0	111.9	M685 L686 R691	D683-M685 PolarHBondContact O-N 2.97Å; D683-M685 WeakPolarHBondContact OD1-CB 3.42Å; D683-M685 WeakPolarHBondContact OD1-CG 3.44Å; D683-M685 PolarHBondContact OD1-N 3.18Å; D683-L686 HydrophobicContact CB-CD1 3.77Å; D683-R691 PolarHBondContact O-NH2 2.88Å
684	P	47.4	Very low	47.1	Very low	109 Å²	109	113.8 Å²	113.8	71%	0.708	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-23.9	176.8	24.6	-34.3	0	0	0	113.7	L686 R691	P684-L686 PolarHBondContact O-N 3.25Å; P684-R691 PolarHBondContact O-NH2 3.23Å; P684-R691 VanDerWaalsContact O-NH2 3.17Å
685	M	41.3	Very low	48.4	Very low	128 Å²	128	114.6 Å²	114.6	63%	0.631	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-24.2	-168.9	-61.2	-112.5	64.5	0	0	115.2	D683	D683-M685 PolarHBondContact O-N 2.97Å; D683-M685 WeakPolarHBondContact OD1-CB 3.42Å; D683-M685 WeakPolarHBondContact OD1-CG 3.44Å; D683-M685 PolarHBondContact OD1-N 3.18Å
686	L	49.1	Very low	49.4	Very low	42 Å²	42	111.1 Å²	111.1	22%	0.22	59%	0.594	C	S	.	*			trans	-64.9	134.6	-171.8	-76.4	78.9	0	0	0	114.2	D683 P684 E690 R691 N694	D683-L686 HydrophobicContact CB-CD1 3.77Å; P684-L686 PolarHBondContact O-N 3.25Å; L686-E690 HydrophobicContact CB-CB 4.2Å; L686-E690 HydrophobicContact CD2-CB 4.02Å; L686-E690 HydrophobicContact CG-CB 4.23Å; L686-R691 HydrophobicContact CB-CB 4.37Å; L686-N694 HydrophobicContact CD2-CB 4Å
687	T	60.1	Low	51.1	Low	68 Å²	68	112.7 Å²	112.7	42%	0.417	59%	0.588	S	S	.	*			trans	-63	165.7	171.6	68.1	0	0	0	0	112.3	E689 E690 R691	T687-E689 PolarHBondContact O-N 3.41Å; T687-E689 VanDerWaalsContact O-N 3.16Å; T687-E690 WeakPolarHBondContact CB-OE2 3.38Å; T687-E690 WeakPolarHBondContact CG2-OE2 3.24Å; T687-E690 PolarHBondContact N-OE2 2.88Å; T687-E690 PolarHBondContact O-N 2.92Å; T687-E690 VanDerWaalsContact OG1-CD 3.23Å; T687-E690 WeakPolarHBondContact OG1-CG 3.27Å; T687-E690 PolarHBondContact OG1-N 3.37Å; T687-E690 PolarHBondContact OG1-OE2 2.84Å; T687-R691 VanDerWaalsContact O-CB 3.23Å; T687-R691 WeakPolarHBondContact O-CB 3.09Å; T687-R691 PolarHBondContact O-N 3Å
688	P	56.3	Low	52	Low	101 Å²	101	108.2 Å²	108.2	66%	0.656	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	-25.8	179.4	-25.5	36.1	0	0	0	114.8	Q692	P688-Q692 WeakPolarHBondContact O-CG 3.31Å
689	E	56.5	Low	53.5	Low	152 Å²	152	112.4 Å²	112.4	71%	0.71	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-43.8	-177.4	-56	-164	164.7	0	0	111.1	T687 R691 Q692 L693	T687-E689 PolarHBondContact O-N 3.41Å; T687-E689 VanDerWaalsContact O-N 3.16Å; E689-R691 VanDerWaalsContact C-N 3.3Å; E689-R691 PolarHBondContact O-N 3.04Å; E689-Q692 CarbonylContact O-C 3.46Å; E689-Q692 WeakPolarHBondContact O-CA 3.08Å; E689-Q692 WeakPolarHBondContact O-CB 2.96Å; E689-Q692 PolarHBondContact O-N 3.4Å; E689-L693 PolarHBondContact O-N 3.03Å
690	E	66.3	Low	53.8	Low	91 Å²	91	106.7 Å²	106.7	43%	0.425	56%	0.555	S	S	.	*	H	α-helix	trans	-62.7	-38	171.8	-63.6	160.9	134.8	0	0	111.4	L686 T687 Q692 L693 N694	L686-E690 HydrophobicContact CB-CB 4.2Å; L686-E690 HydrophobicContact CD2-CB 4.02Å; L686-E690 HydrophobicContact CG-CB 4.23Å; T687-E690 WeakPolarHBondContact CB-OE2 3.38Å; T687-E690 WeakPolarHBondContact CG2-OE2 3.24Å; T687-E690 PolarHBondContact N-OE2 2.88Å; T687-E690 PolarHBondContact O-N 2.92Å; T687-E690 VanDerWaalsContact OG1-CD 3.23Å; T687-E690 WeakPolarHBondContact OG1-CG 3.27Å; T687-E690 PolarHBondContact OG1-N 3.37Å; T687-E690 PolarHBondContact OG1-OE2 2.84Å; E690-Q692 PolarHBondContact O-N 3.08Å; E690-L693 PolarHBondContact O-N 3.06Å; E690-L693 VanDerWaalsContact O-N 3.13Å; E690-N694 VanDerWaalsContact O-CB 3.23Å; E690-N694 WeakPolarHBondContact O-CB 3.46Å; E690-N694 PolarHBondContact O-N 3Å
691	R	66.2	Low	54.5	Low	109 Å²	109	110.1 Å²	110.1	41%	0.411	56%	0.557	S	S	.	*	H	α-helix	trans	-66.5	-15.6	172.9	-170.2	172.2	-77.3	151.3	-0.8	113	D683 P684 L686 T687 E689 K695	D683-R691 PolarHBondContact O-NH2 2.88Å; P684-R691 PolarHBondContact O-NH2 3.23Å; P684-R691 VanDerWaalsContact O-NH2 3.17Å; L686-R691 HydrophobicContact CB-CB 4.37Å; T687-R691 VanDerWaalsContact O-CB 3.23Å; T687-R691 WeakPolarHBondContact O-CB 3.09Å; T687-R691 PolarHBondContact O-N 3Å; E689-R691 VanDerWaalsContact C-N 3.3Å; E689-R691 PolarHBondContact O-N 3.04Å; R691-K695 WeakPolarHBondContact O-CG 3.46Å
692	Q	57.1	Low	55.3	Low	120 Å²	120	106.7 Å²	106.7	56%	0.561	54%	0.541	S	S	*	.	H	α-helix	trans	-86.6	-43.8	165.2	-72.1	-175	39.8	0	0	112.1	P688 E689 E690 K695 M696	P688-Q692 WeakPolarHBondContact O-CG 3.31Å; E689-Q692 CarbonylContact O-C 3.46Å; E689-Q692 WeakPolarHBondContact O-CA 3.08Å; E689-Q692 WeakPolarHBondContact O-CB 2.96Å; E689-Q692 PolarHBondContact O-N 3.4Å; E690-Q692 PolarHBondContact O-N 3.08Å; Q692-K695 WeakPolarHBondContact O-CA 3.31Å; Q692-K695 WeakPolarHBondContact O-CB 3.2Å; Q692-K695 PolarHBondContact O-N 3.49Å; Q692-M696 WeakPolarHBondContact O-CG 3.43Å; Q692-M696 PolarHBondContact O-N 3.09Å
693	L	65.3	Low	55.7	Low	104 Å²	104	104.8 Å²	104.8	55%	0.545	53%	0.527	S	S	.	.	H	α-helix	trans	-59.7	-48.7	177.2	-74	166.1	0	0	0	112.2	E689 E690 K695 M696 Q697	E689-L693 PolarHBondContact O-N 3.03Å; E690-L693 PolarHBondContact O-N 3.06Å; E690-L693 VanDerWaalsContact O-N 3.13Å; L693-K695 PolarHBondContact O-N 3.3Å; L693-M696 CarbonylContact O-C 3.53Å; L693-M696 WeakPolarHBondContact O-CA 3.4Å; L693-M696 WeakPolarHBondContact O-CB 3.47Å; L693-M696 PolarHBondContact O-N 3.43Å; L693-Q697 WeakPolarHBondContact O-CG 3.35Å; L693-Q697 PolarHBondContact O-N 2.96Å
694	N	61.6	Low	56.6	Low	61 Å²	61	105.1 Å²	105.1	33%	0.326	53%	0.534	S	S	.	.	H	α-helix	trans	-62.3	-32.8	176.6	-167.1	-33.2	0	0	0	111.1	L686 E690 Q697 N698	L686-N694 HydrophobicContact CD2-CB 4Å; E690-N694 VanDerWaalsContact O-CB 3.23Å; E690-N694 WeakPolarHBondContact O-CB 3.46Å; E690-N694 PolarHBondContact O-N 3Å; N694-Q697 PolarHBondContact O-N 3.16Å; N694-N698 WeakPolarHBondContact O-CB 3.39Å; N694-N698 PolarHBondContact O-N 3.29Å; N694-N698 PolarHBondContact O-ND2 3.02Å; N694-N698 PolarHBondContact OD1-ND2 3.21Å
695	K	57.9	Low	57.1	Low	137 Å²	137	103.6 Å²	103.6	60%	0.596	52%	0.523	S	S	*	.	H	α-helix	trans	-66.6	-39.5	168.2	-88.6	-176.3	174.7	-177.6	0	113.5	R691 Q692 L693 H699	R691-K695 WeakPolarHBondContact O-CG 3.46Å; Q692-K695 WeakPolarHBondContact O-CA 3.31Å; Q692-K695 WeakPolarHBondContact O-CB 3.2Å; Q692-K695 PolarHBondContact O-N 3.49Å; L693-K695 PolarHBondContact O-N 3.3Å; K695-H699 PolarHBondContact O-N 2.93Å; K695-H699 PolarHBondContact O-ND1 2.97Å
696	M	57.1	Low	57.7	Low	90 Å²	90	105.4 Å²	105.4	44%	0.443	52%	0.523	S	S	.	.	H	α-helix	trans	-70.7	-32.5	176	-66.6	-174.5	-158.8	0	0	112.4	Q692 L693 G700 Y701	Q692-M696 WeakPolarHBondContact O-CG 3.43Å; Q692-M696 PolarHBondContact O-N 3.09Å; L693-M696 CarbonylContact O-C 3.53Å; L693-M696 WeakPolarHBondContact O-CA 3.4Å; L693-M696 WeakPolarHBondContact O-CB 3.47Å; L693-M696 PolarHBondContact O-N 3.43Å; M696-G700 CarbonylContact O-C 3.19Å; M696-G700 VanDerWaalsContact O-CA 3.26Å; M696-G700 WeakPolarHBondContact O-CA 3.41Å; M696-G700 PolarHBondContact O-N 3.42Å; M696-Y701 HydrophobicContact SD-CD2 4.31Å; M696-Y701 HydrophobicContact SD-CE2 4.47Å
697	Q	62.6	Low	58.1	Low	143 Å²	143	107.5 Å²	107.5	67%	0.668	53%	0.531	S	S	*	.	H	α-helix	trans	-66	-53.2	172.6	-72.9	169	-35.8	0	0	110.7	L693 N694 H699 G700	L693-Q697 WeakPolarHBondContact O-CG 3.35Å; L693-Q697 PolarHBondContact O-N 2.96Å; N694-Q697 PolarHBondContact O-N 3.16Å; Q697-H699 VanDerWaalsContact C-N 3.27Å; Q697-H699 PolarHBondContact O-N 3.29Å; Q697-G700 PolarHBondContact O-N 2.86Å
698	N	54.5	Low	58.3	Low	112 Å²	112	110 Å²	110	60%	0.599	54%	0.536	S	S	*	.	H	α-helix	trans	-68.4	-17.3	-176.1	-73.4	-31.5	0	0	0	115.5	N694	N694-N698 WeakPolarHBondContact O-CB 3.39Å; N694-N698 PolarHBondContact O-N 3.29Å; N694-N698 PolarHBondContact O-ND2 3.02Å; N694-N698 PolarHBondContact OD1-ND2 3.21Å
699	H	59.8	Low	58.5	Low	154 Å²	154	111.4 Å²	111.4	71%	0.713	53%	0.532	S	S	*	.	H	α-helix	trans	-109.2	-6.1	175.2	-60.9	78.8	0	0	0	113.3	K695 Q697	K695-H699 PolarHBondContact O-N 2.93Å; K695-H699 PolarHBondContact O-ND1 2.97Å; Q697-H699 VanDerWaalsContact C-N 3.27Å; Q697-H699 PolarHBondContact O-N 3.29Å
700	G	49.7	Very low	59.1	Low	43 Å²	43	110.7 Å²	110.7	44%	0.443	53%	0.529	S	S	.	.			trans	72.4	149.6	-168.6	0	0	0	0	0	113.5	M696 Q697 E702	M696-G700 CarbonylContact O-C 3.19Å; M696-G700 VanDerWaalsContact O-CA 3.26Å; M696-G700 WeakPolarHBondContact O-CA 3.41Å; M696-G700 PolarHBondContact O-N 3.42Å; Q697-G700 PolarHBondContact O-N 2.86Å; G700-E702 VanDerWaalsContact C-N 3.33Å; G700-E702 PolarHBondContact O-N 2.93Å
701	Y	51.8	Low	59	Low	180 Å²	180	113.4 Å²	113.4	71%	0.706	54%	0.542	S	S	*	.			trans	-77.7	83.2	173.4	-169.4	-92	0	0	0	110.7	M696 N703	M696-Y701 HydrophobicContact SD-CD2 4.31Å; M696-Y701 HydrophobicContact SD-CE2 4.47Å; Y701-N703 PolarHBondContact O-N 3.24Å; Y701-N703 VanDerWaalsContact O-N 3.1Å
702	E	56.5	Low	58.6	Low	112 Å²	112	114.4 Å²	114.4	52%	0.523	55%	0.552	S	S	.	*			trans	-70.6	102.2	175.1	-167.9	-164.9	-132.1	0	0	110.1	G700 P704 K707	G700-E702 VanDerWaalsContact C-N 3.33Å; G700-E702 PolarHBondContact O-N 2.93Å; E702-P704 WeakPolarHBondContact O-CD 3.44Å; E702-P704 VanDerWaalsContact O-N 3.16Å; E702-K707 IonicContact OE1-NZ 2.84Å; E702-K707 PolarHBondContact OE1-NZ 3.48Å; E702-K707 WeakPolarHBondContact OE2-CD 3.26Å; E702-K707 WeakPolarHBondContact OE2-CE 3.34Å; E702-K707 IonicContact OE2-NZ 2.65Å; E702-K707 PolarHBondContact OE2-NZ 2.92Å
703	N	50.7	Low	58	Low	66 Å²	66	119 Å²	119	35%	0.353	58%	0.581	S	S	.	*			trans	-58.6	117.7	-176.4	175.3	-15.8	0	0	0	110.9	Y701 T705 Y706	Y701-N703 PolarHBondContact O-N 3.24Å; Y701-N703 VanDerWaalsContact O-N 3.1Å; N703-T705 PolarHBondContact O-N 3.17Å; N703-T705 WeakPolarHBondContact OD1-CB 3.32Å; N703-T705 PolarHBondContact OD1-N 3.26Å; N703-T705 PolarHBondContact OD1-OG1 3.17Å; N703-Y706 HydrophobicContact CB-CD2 4.1Å; N703-Y706 PolarHBondContact O-N 3.24Å
704	P	60.9	Low	57.6	Low	85 Å²	85	119.8 Å²	119.8	55%	0.552	58%	0.583	S	S	*	*	H	α-helix	trans	-63	-17.9	-171.5	24.7	-35	0	0	0	113.7	E702 Y706 K707 F708	E702-P704 WeakPolarHBondContact O-CD 3.44Å; E702-P704 VanDerWaalsContact O-N 3.16Å; P704-Y706 VanDerWaalsContact C-N 3.33Å; P704-Y706 PolarHBondContact O-N 2.69Å; P704-K707 PolarHBondContact O-N 3.24Å; P704-F708 PolarHBondContact O-N 2.84Å
705	T	58.3	Low	57.4	Low	78 Å²	78	122.8 Å²	122.8	48%	0.479	60%	0.596	S	S	.	*	H	α-helix	trans	-59.9	-41.8	172.8	-46.3	0	0	0	0	111.8	N703 F708 F709	N703-T705 PolarHBondContact O-N 3.17Å; N703-T705 WeakPolarHBondContact OD1-CB 3.32Å; N703-T705 PolarHBondContact OD1-N 3.26Å; N703-T705 PolarHBondContact OD1-OG1 3.17Å; T705-F708 PolarHBondContact O-N 3.38Å; T705-F709 HydrophobicContact CG2-CD2 4.36Å; T705-F709 HydrophobicContact CG2-CE2 3.91Å; T705-F709 WeakPolarHBondContact O-CD2 3.06Å; T705-F709 PolarHBondContact O-N 2.71Å
706	Y	53.9	Low	57.4	Low	165 Å²	165	122.1 Å²	122.1	65%	0.647	60%	0.596	S	S	*	*	H	α-helix	trans	-71	-43.2	179.9	-77.9	-90.8	0	0	0	111.2	N703 P704 F708 F709 E710	N703-Y706 HydrophobicContact CB-CD2 4.1Å; N703-Y706 PolarHBondContact O-N 3.24Å; P704-Y706 VanDerWaalsContact C-N 3.33Å; P704-Y706 PolarHBondContact O-N 2.69Å; Y706-F708 PolarHBondContact O-N 2.81Å; Y706-F708 VanDerWaalsContact O-N 3.17Å; Y706-F709 PolarHBondContact O-N 2.73Å; Y706-E710 PolarHBondContact O-N 2.67Å
707	K	57.1	Low	57.4	Low	86 Å²	86	123.9 Å²	123.9	37%	0.374	61%	0.605	S	S	.	*	H	α-helix	trans	-59	-29.2	177.3	-151.1	176.6	-158.5	69.8	0	112.9	E702 P704 Q711	E702-K707 IonicContact OE1-NZ 2.84Å; E702-K707 PolarHBondContact OE1-NZ 3.48Å; E702-K707 WeakPolarHBondContact OE2-CD 3.26Å; E702-K707 WeakPolarHBondContact OE2-CE 3.34Å; E702-K707 IonicContact OE2-NZ 2.65Å; E702-K707 PolarHBondContact OE2-NZ 2.92Å; P704-K707 PolarHBondContact O-N 3.24Å; K707-Q711 WeakPolarHBondContact O-CG 3.29Å; K707-Q711 PolarHBondContact O-N 3.06Å
708	F	64.8	Low	57.1	Low	121 Å²	121	122.8 Å²	122.8	53%	0.531	60%	0.601	S	S	.	*	H	α-helix	trans	-71.6	-36.8	173.5	-167	-90.9	0	0	0	112.9	P704 T705 Y706 M712	P704-F708 PolarHBondContact O-N 2.84Å; T705-F708 PolarHBondContact O-N 3.38Å; Y706-F708 PolarHBondContact O-N 2.81Å; Y706-F708 VanDerWaalsContact O-N 3.17Å; F708-M712 HydrophobicContact CD1-CE 4.34Å; F708-M712 HydrophobicContact CE1-CE 3.44Å; F708-M712 VanDerWaalsContact CE1-CE 3.44Å; F708-M712 HydrophobicContact CE1-SD 4Å; F708-M712 HydrophobicContact CZ-CE 3.6Å
709	F	60.6	Low	57.2	Low	131 Å²	131	123.5 Å²	123.5	58%	0.575	60%	0.602	S	S	*	*	H	α-helix	trans	-77.3	-33.6	176.9	-71.7	-61.8	0	0	0	113	T705 Y706 Q711 M712	T705-F709 HydrophobicContact CG2-CD2 4.36Å; T705-F709 HydrophobicContact CG2-CE2 3.91Å; T705-F709 WeakPolarHBondContact O-CD2 3.06Å; T705-F709 PolarHBondContact O-N 2.71Å; Y706-F709 PolarHBondContact O-N 2.73Å; F709-Q711 PolarHBondContact O-N 2.84Å; F709-M712 PolarHBondContact O-N 3.48Å; F709-M712 VanDerWaalsContact O-N 3.13Å
710	E	67.7	Low	57	Low	137 Å²	137	121.3 Å²	121.3	64%	0.64	59%	0.594	S	S	*	*	H	α-helix	trans	-64.8	-26.8	172.8	-69.7	-173.9	149.6	0	0	112.9	Y706 M712	Y706-E710 PolarHBondContact O-N 2.67Å; E710-M712 VanDerWaalsContact C-N 3.27Å; E710-M712 PolarHBondContact O-N 2.8Å
711	Q	65.3	Low	57.6	Low	148 Å²	148	127.3 Å²	127.3	69%	0.692	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	4.1	174.5	-70.2	177.9	13.6	0	0	114.1	K707 F709	K707-Q711 WeakPolarHBondContact O-CG 3.29Å; K707-Q711 PolarHBondContact O-N 3.06Å; F709-Q711 PolarHBondContact O-N 2.84Å
712	M	56.8	Low	58.1	Low	129 Å²	129	122.9 Å²	122.9	64%	0.635	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.2	7.9	178.6	-72.2	-163.2	171.3	0	0	114.7	F708 F709 E710	F708-M712 HydrophobicContact CD1-CE 4.34Å; F708-M712 HydrophobicContact CE1-CE 3.44Å; F708-M712 VanDerWaalsContact CE1-CE 3.44Å; F708-M712 HydrophobicContact CE1-SD 4Å; F708-M712 HydrophobicContact CZ-CE 3.6Å; F709-M712 PolarHBondContact O-N 3.48Å; F709-M712 VanDerWaalsContact O-N 3.13Å; E710-M712 VanDerWaalsContact C-N 3.27Å; E710-M712 PolarHBondContact O-N 2.8Å
713	N	44.6	Very low	58.2	Low	217 Å²	217	123.9 Å²	123.9	100%	1.16	60%	0.603	S	S	*	*			trans	-112.9	0	168.9	-85	-29.5	0	0	0	111.7

Retrieved 713 of 713 residues in 383.4 ms (Link to these results)

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