A0A077Z0T7_TRITR Loading...

Serine hydroxymethyltransferase

Interconversion of serine and glycine.

AlphaFold DB , UniProt , Accession A0A077Z0T7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 494 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.8	Very low	38.3	Very low	237 Å²	237	173.3 Å²	173.3	100%	1.167	88%	0.881	S	S	*	*				0	97.6	0	-77.2	177.2	174.9	0	0	105.7
2	Y	37.1	Very low	38.5	Very low	239 Å²	239	168.8 Å²	168.8	94%	0.937	87%	0.873	S	S	*	*			cis	-128.9	144.2	48.2	-76.5	-104.4	0	0	0	112
3	L	29.7	Very low	38.4	Very low	176 Å²	176	165.8 Å²	165.8	92%	0.921	87%	0.866	S	S	*	*			trans	-101	136.7	163.9	-84.5	155.8	0	0	0	107.3
4	N	48	Very low	37.8	Very low	152 Å²	152	160.4 Å²	160.4	81%	0.813	85%	0.849	S	S	*	*			trans	-144	146.7	147.2	-168.7	10.9	0	0	0	109.4
5	E	38.5	Very low	37.7	Very low	179 Å²	179	161.3 Å²	161.3	84%	0.836	85%	0.853	S	S	*	*			trans	-84.6	120.1	-165.6	-67.4	162.2	160.6	0	0	110.8
6	S	51.4	Low	37.5	Very low	113 Å²	113	160.9 Å²	160.9	79%	0.79	85%	0.851	S	S	*	*			trans	-160.1	97.2	148.3	57.1	0	0	0	0	108.8	K8	S6-K8 PolarHBondContact O-N 2.65Å
7	N	36.4	Very low	37.2	Very low	172 Å²	172	155.6 Å²	155.6	92%	0.92	84%	0.844	S	S	*	*			trans	-58.3	102.1	164.8	-95.1	-20.3	0	0	0	109.4
8	K	39	Very low	37.4	Very low	187 Å²	187	154.5 Å²	154.5	81%	0.813	84%	0.844	S	S	*	*			trans	-167.5	119	149.1	-105.5	169.2	-172.2	-173	0	109.1	S6 L10	S6-K8 PolarHBondContact O-N 2.65Å; K8-L10 PolarHBondContact O-N 2.98Å
9	V	34.9	Very low	37.3	Very low	142 Å²	142	150.5 Å²	150.5	86%	0.861	84%	0.842	S	S	*	*			trans	-60.2	118.4	170.1	176.2	0	0	0	0	107.5
10	L	35.1	Very low	37.3	Very low	163 Å²	163	151.1 Å²	151.1	85%	0.853	84%	0.843	S	S	*	*			trans	-84.1	114.7	172	-75.2	166.8	0	0	0	108.3	K8	K8-L10 PolarHBondContact O-N 2.98Å
11	D	36.6	Very low	37.6	Very low	146 Å²	146	148.2 Å²	148.2	78%	0.781	84%	0.839	S	S	*	*			trans	-57.1	132.3	165.8	-80.7	-41.4	0	0	0	110.5	V13	D11-V13 PolarHBondContact O-N 2.85Å; D11-V13 VanDerWaalsContact O-N 3.09Å
12	P	40.4	Very low	38	Very low	120 Å²	120	145.6 Å²	145.6	78%	0.779	82%	0.824	S	S	*	*			trans	-76	101.1	165.8	30.2	-27.9	0	0	0	108.8
13	V	37	Very low	38.6	Very low	130 Å²	130	140.6 Å²	140.6	79%	0.788	82%	0.818	S	S	*	*			trans	24.1	111.1	145.6	-177.4	0	0	0	0	116.1	D11 L15	D11-V13 PolarHBondContact O-N 2.85Å; D11-V13 VanDerWaalsContact O-N 3.09Å; V13-L15 PolarHBondContact O-N 3.07Å
14	S	30.8	Very low	39.5	Very low	89 Å²	89	137.3 Å²	137.3	62%	0.622	81%	0.807	S	S	*	*			trans	-49.9	116.4	166.7	59.2	0	0	0	0	113.4
15	L	35.7	Very low	39.3	Very low	175 Å²	175	135.5 Å²	135.5	92%	0.916	81%	0.806	S	S	*	*			trans	-89.3	83.3	146.4	-83	162.4	0	0	0	107.4	V13 G17	V13-L15 PolarHBondContact O-N 3.07Å; L15-G17 PolarHBondContact O-N 2.76Å
16	N	35.1	Very low	39.8	Very low	154 Å²	154	136.6 Å²	136.6	82%	0.824	81%	0.809	S	S	*	*			trans	-70.6	113.9	166.3	-85	-17.6	0	0	0	108.6
17	G	31.5	Very low	39.7	Very low	71 Å²	71	136 Å²	136	73%	0.732	80%	0.804	S	S	*	*			trans	157.9	41.9	167.5	0	0	0	0	0	118.1	L15	L15-G17 PolarHBondContact O-N 2.76Å
18	T	41.2	Very low	40.2	Very low	136 Å²	136	133.8 Å²	133.8	83%	0.834	80%	0.799	S	S	*	*			trans	-145.4	116.7	158.4	51.3	0	0	0	0	109
19	G	35.3	Very low	40.6	Very low	78 Å²	78	131.9 Å²	131.9	80%	0.804	80%	0.797	S	S	*	*			trans	-60.9	133.8	179.8	0	0	0	0	0	112	A21	G19-A21 VanDerWaalsContact C-N 3.32Å; G19-A21 PolarHBondContact O-N 3.34Å
20	D	37.3	Very low	41.4	Very low	162 Å²	162	130.8 Å²	130.8	87%	0.866	80%	0.796	S	S	*	*			trans	-60.8	93.9	163.1	-78.7	-37.9	0	0	0	108.9	Q22	D20-Q22 VanDerWaalsContact C-N 3.27Å; D20-Q22 PolarHBondContact O-N 2.79Å
21	A	43.9	Very low	42	Very low	92 Å²	92	131.7 Å²	131.7	76%	0.76	80%	0.8	S	S	*	*			trans	-68.8	94.3	159.5	0	0	0	0	0	107.2	G19 V23	G19-A21 VanDerWaalsContact C-N 3.32Å; G19-A21 PolarHBondContact O-N 3.34Å; A21-V23 PolarHBondContact O-N 3.27Å
22	Q	44	Very low	43.2	Very low	182 Å²	182	128.8 Å²	128.8	85%	0.85	80%	0.797	S	S	*	*			trans	-52.9	107.2	165.1	-75	-178.4	-23.6	0	0	108.4	D20 P24	D20-Q22 VanDerWaalsContact C-N 3.27Å; D20-Q22 PolarHBondContact O-N 2.79Å; Q22-P24 WeakPolarHBondContact O-CD 3.38Å
23	V	48.7	Very low	44.3	Very low	133 Å²	133	129.4 Å²	129.4	81%	0.806	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-59.1	122.9	168.5	-178.6	0	0	0	0	106.9	A21 S25	A21-V23 PolarHBondContact O-N 3.27Å; V23-S25 PolarHBondContact O-N 2.96Å
24	P	48.5	Very low	45.9	Very low	108 Å²	108	128.5 Å²	128.5	70%	0.701	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-57.8	132.8	-177.8	-21.7	31.1	0	0	0	110.8	Q22 F26	Q22-P24 WeakPolarHBondContact O-CD 3.38Å; P24-F26 PolarHBondContact O-N 3.32Å
25	S	45	Very low	48.2	Very low	114 Å²	114	127.5 Å²	127.5	80%	0.797	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-59.8	117.5	174.1	60.3	0	0	0	0	110.1	V23 C27	V23-S25 PolarHBondContact O-N 2.96Å; S25-C27 PolarHBondContact O-N 2.94Å
26	F	48.4	Very low	50.3	Low	201 Å²	201	125.2 Å²	125.2	88%	0.882	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-59.8	124.3	173.8	-113.4	-99.1	0	0	0	110.2	P24 P28	P24-F26 PolarHBondContact O-N 3.32Å; F26-P28 VanDerWaalsContact O-CD 3.3Å; F26-P28 WeakPolarHBondContact O-CD 3.33Å
27	C	49.2	Very low	52.7	Low	102 Å²	102	123.4 Å²	123.4	69%	0.689	76%	0.761	S	S	*	*			trans	-70.4	114.5	165.9	-78.2	0	0	0	0	108.9	S25 N29	S25-C27 PolarHBondContact O-N 2.94Å; C27-N29 PolarHBondContact O-N 3.44Å
28	P	47.1	Very low	55.5	Low	125 Å²	125	126.5 Å²	126.5	81%	0.812	76%	0.76	S	S	*	*			trans	-79.8	91.3	176.6	31.8	-27.5	0	0	0	107.9	F26	F26-P28 VanDerWaalsContact O-CD 3.3Å; F26-P28 WeakPolarHBondContact O-CD 3.33Å
29	N	46.4	Very low	57.8	Low	146 Å²	146	124.3 Å²	124.3	78%	0.781	75%	0.747	S	S	*	*			trans	-127	124.2	177.3	-93.6	-15.7	0	0	0	112.8	C27	C27-N29 PolarHBondContact O-N 3.44Å
30	S	52.3	Low	60.6	Low	119 Å²	119	122.3 Å²	122.3	83%	0.832	72%	0.723	S	S	*	*			trans	84.6	103.7	174.7	77.9	0	0	0	0	118	A32	S30-A32 PolarHBondContact O-N 3.33Å
31	L	48.5	Very low	63.3	Low	182 Å²	182	118 Å²	118	95%	0.953	70%	0.703	S	S	*	*			trans	-67.2	81.7	172.8	-74.3	151	0	0	0	111
32	A	60.6	Low	65.7	Low	86 Å²	86	117 Å²	117	71%	0.711	68%	0.684	S	S	*	*			trans	-95.2	112.1	150.5	0	0	0	0	0	106.7	S30 L34	S30-A32 PolarHBondContact O-N 3.33Å; A32-L34 PolarHBondContact O-N 3Å; A32-L34 VanDerWaalsContact O-N 3.09Å
33	T	64.3	Low	68.1	Low	133 Å²	133	115.9 Å²	115.9	82%	0.816	67%	0.673	S	S	*	*			trans	-65.3	111.1	170.8	43.9	0	0	0	0	107.8
34	L	69.9	Low	70.3	Confident	111 Å²	111	112.8 Å²	112.8	58%	0.581	66%	0.661	S	S	*	*			trans	-50.3	147	164.5	-82.5	143.2	0	0	0	108.6	A32 D36 L38 T39	A32-L34 PolarHBondContact O-N 3Å; A32-L34 VanDerWaalsContact O-N 3.09Å; L34-D36 PolarHBondContact O-N 3Å; L34-L38 HydrophobicContact CD2-CD1 4.26Å; L34-T39 HydrophobicContact CB-CG2 3.93Å; L34-T39 HydrophobicContact CD1-CG2 4.04Å; L34-T39 HydrophobicContact CG-CG2 4.49Å
35	S	80.2	Confident	72.5	Confident	67 Å²	67	110.9 Å²	110.9	47%	0.469	65%	0.647	S	S	.	*			trans	-50.9	130.3	171.7	174.8	0	0	0	0	109.1	N37 L38	S35-N37 PolarHBondContact O-N 3.41Å; S35-L38 PolarHBondContact O-N 3.38Å
36	D	79	Confident	74.9	Confident	127 Å²	127	108.8 Å²	108.8	68%	0.679	63%	0.627	S	S	*	*	H	α-helix	trans	-49.3	-36.2	178.4	-68.2	-24.3	0	0	0	110.9	L34 L38 T39 A40	L34-D36 PolarHBondContact O-N 3Å; D36-L38 VanDerWaalsContact C-N 3.3Å; D36-L38 PolarHBondContact O-N 3.01Å; D36-T39 PolarHBondContact O-N 2.95Å; D36-A40 WeakPolarHBondContact O-CA 3.48Å; D36-A40 WeakPolarHBondContact O-CB 3.29Å; D36-A40 PolarHBondContact O-N 3.39Å
37	N	85.5	Confident	77.2	Confident	117 Å²	117	103.2 Å²	103.2	63%	0.626	61%	0.611	S	S	*	*	H	α-helix	trans	-64	-26	179.4	-69.2	-15.4	0	0	0	115.1	S35	S35-N37 PolarHBondContact O-N 3.41Å
38	L	90.6	Very high	79.6	Confident	135 Å²	135	105.3 Å²	105.3	71%	0.707	61%	0.611	S	S	*	*	H	α-helix	trans	-82.9	-17.5	179.2	-69.4	177.6	0	0	0	113	L34 S35 D36	L34-L38 HydrophobicContact CD2-CD1 4.26Å; S35-L38 PolarHBondContact O-N 3.38Å; D36-L38 VanDerWaalsContact C-N 3.3Å; D36-L38 PolarHBondContact O-N 3.01Å
39	T	90.2	Very high	81.9	Confident	91 Å²	91	100.6 Å²	100.6	56%	0.558	58%	0.582	S	S	*	*	H	α-helix	trans	-123.1	-15.8	-174.4	61.1	0	0	0	0	113.6	L34 D36	L34-T39 HydrophobicContact CB-CG2 3.93Å; L34-T39 HydrophobicContact CD1-CG2 4.04Å; L34-T39 HydrophobicContact CG-CG2 4.49Å; D36-T39 PolarHBondContact O-N 2.95Å
40	A	93	Very high	84.3	Confident	36 Å²	36	95 Å²	95	30%	0.298	55%	0.551	S	S	.	*	S	Bend	trans	-67.4	145.1	175.6	0	0	0	0	0	111.2	D36 V45	D36-A40 WeakPolarHBondContact O-CA 3.48Å; D36-A40 WeakPolarHBondContact O-CB 3.29Å; D36-A40 PolarHBondContact O-N 3.39Å; A40-V45 HydrophobicContact CB-CG2 3.56Å
41	P	93.6	Very high	86.5	Confident	70 Å²	70	91.4 Å²	91.4	46%	0.455	53%	0.526	S	S	.	.			trans	-68.1	153.3	178.1	30	-36	0	0	0	111.1	R43 A44 V45	P41-R43 VanDerWaalsContact C-N 3.25Å; P41-R43 HydrophobicContact CB-CG 4.2Å; P41-R43 HydrophobicContact CG-CG 4.12Å; P41-R43 PolarHBondContact O-N 3.17Å; P41-R43 VanDerWaalsContact O-N 3.12Å; P41-A44 HydrophobicContact CG-CB 4.09Å; P41-A44 WeakPolarHBondContact O-CB 3.49Å; P41-A44 PolarHBondContact O-N 3.36Å; P41-V45 PolarHBondContact O-N 2.8Å; P41-V45 VanDerWaalsContact O-N 3.15Å
42	L	94.3	Very high	88.9	Confident	71 Å²	71	87.7 Å²	87.7	37%	0.372	51%	0.506	S	S	.	.	H	α-helix	trans	-48.7	-44.4	-179.3	177.6	63.1	0	0	0	113.1	A44 V45 D46 F50 M53	L42-A44 PolarHBondContact O-N 3.21Å; L42-A44 VanDerWaalsContact O-N 3.09Å; L42-V45 PolarHBondContact O-N 2.99Å; L42-D46 HydrophobicContact CD1-CB 4.13Å; L42-D46 CarbonylContact O-C 3.51Å; L42-D46 PolarHBondContact O-N 3.04Å; L42-F50 HydrophobicContact CD2-CD2 4.3Å; L42-F50 HydrophobicContact CG-CB 4.35Å; L42-F50 HydrophobicContact CG-CD2 4.46Å; L42-M53 HydrophobicContact CD2-CE 3.79Å; L42-M53 HydrophobicContact CD2-SD 3.5Å; L42-M53 WeakPolarHBondContact CD2-SD 3.46Å
43	R	94.8	Very high	90.6	Very high	160 Å²	160	87.5 Å²	87.5	60%	0.604	49%	0.491	S	S	*	.	H	α-helix	trans	-57.5	-24.1	178.5	63.5	178.5	163.4	-159.5	-6.8	114.9	P41 F50	P41-R43 VanDerWaalsContact C-N 3.25Å; P41-R43 HydrophobicContact CB-CG 4.2Å; P41-R43 HydrophobicContact CG-CG 4.12Å; P41-R43 PolarHBondContact O-N 3.17Å; P41-R43 VanDerWaalsContact O-N 3.12Å; R43-F50 HydrophobicContact CB-CB 4.48Å; R43-F50 HydrophobicContact CB-CD1 3.85Å; R43-F50 HydrophobicContact CB-CD2 4.06Å; R43-F50 HydrophobicContact CB-CE1 4.03Å; R43-F50 HydrophobicContact CB-CE2 4.24Å; R43-F50 HydrophobicContact CB-CG 3.86Å; R43-F50 HydrophobicContact CB-CZ 4.23Å
44	A	94.7	Very high	92.2	Very high	68 Å²	68	85.1 Å²	85.1	56%	0.562	47%	0.471	S	S	*	.	H	α-helix	trans	-94	-38.8	177.5	0	0	0	0	0	111.7	P41 L42	P41-A44 HydrophobicContact CG-CB 4.09Å; P41-A44 WeakPolarHBondContact O-CB 3.49Å; P41-A44 PolarHBondContact O-N 3.36Å; L42-A44 PolarHBondContact O-N 3.21Å; L42-A44 VanDerWaalsContact O-N 3.09Å
45	V	94.8	Very high	93.5	Very high	67 Å²	67	86.4 Å²	86.4	41%	0.406	47%	0.472	S	S	.	.	H	α-helix	trans	-73.3	-45	-179.1	179.2	0	0	0	0	111.7	A40 P41 L42	A40-V45 HydrophobicContact CB-CG2 3.56Å; P41-V45 PolarHBondContact O-N 2.8Å; P41-V45 VanDerWaalsContact O-N 3.15Å; L42-V45 PolarHBondContact O-N 2.99Å
46	D	96.1	Very high	94.4	Very high	71 Å²	71	86.7 Å²	86.7	38%	0.38	47%	0.466	S	S	.	.			trans	-142.8	80.9	-176.8	-167	-21	0	0	0	110.7	L42 E48 A49 F50	L42-D46 HydrophobicContact CD1-CB 4.13Å; L42-D46 CarbonylContact O-C 3.51Å; L42-D46 PolarHBondContact O-N 3.04Å; D46-E48 PolarHBondContact O-N 3.09Å; D46-E48 PolarHBondContact OD1-N 3.04Å; D46-A49 HydrophobicContact CB-CB 4.07Å; D46-A49 PolarHBondContact O-N 2.79Å; D46-A49 WeakPolarHBondContact OD1-CB 3.37Å; D46-A49 PolarHBondContact OD1-N 3.37Å; D46-A49 WeakPolarHBondContact OD2-CB 3.29Å; D46-F50 PolarHBondContact O-N 2.85Å
47	P	96.6	Very high	95.2	Very high	84 Å²	84	81.3 Å²	81.3	55%	0.545	44%	0.436	S	S	.	.	H	α-helix	trans	-64.9	-23.4	178.9	25.3	-34.2	0	0	0	113.2	S51	P47-S51 WeakPolarHBondContact O-CB 3.38Å; P47-S51 PolarHBondContact O-N 3.43Å
48	E	98.3	Very high	95.8	Very high	146 Å²	146	79.1 Å²	79.1	68%	0.682	42%	0.424	S	S	*	.	H	α-helix	trans	-71.3	-50.1	177.4	-175.6	174.5	-178.1	0	0	110.6	D46 F50 S51 I52	D46-E48 PolarHBondContact O-N 3.09Å; D46-E48 PolarHBondContact OD1-N 3.04Å; E48-F50 VanDerWaalsContact C-N 3.31Å; E48-F50 PolarHBondContact O-N 3.24Å; E48-S51 WeakPolarHBondContact O-CB 3.08Å; E48-S51 PolarHBondContact O-N 3.04Å; E48-I52 WeakPolarHBondContact O-CG1 3.43Å; E48-I52 PolarHBondContact O-N 3.2Å; E48-I52 VanDerWaalsContact O-N 3.1Å
49	A	97.2	Very high	96.1	Very high	25 Å²	25	77 Å²	77	21%	0.207	41%	0.407	C	S	.	.	H	α-helix	trans	-59.4	-43.4	174.1	0	0	0	0	0	111.5	D46 S51 I52 M53	D46-A49 HydrophobicContact CB-CB 4.07Å; D46-A49 PolarHBondContact O-N 2.79Å; D46-A49 WeakPolarHBondContact OD1-CB 3.37Å; D46-A49 PolarHBondContact OD1-N 3.37Å; D46-A49 WeakPolarHBondContact OD2-CB 3.29Å; A49-S51 VanDerWaalsContact C-N 3.34Å; A49-S51 PolarHBondContact O-N 3.46Å; A49-I52 PolarHBondContact O-N 3.24Å; A49-M53 WeakPolarHBondContact O-CG 3.44Å; A49-M53 PolarHBondContact O-N 2.94Å
50	F	97	Very high	96.5	Very high	29 Å²	29	74.7 Å²	74.7	13%	0.127	39%	0.39	C	S	.	.	H	α-helix	trans	-58.4	-44.7	175.5	-174.7	-105.4	0	0	0	111.9	L42 R43 D46 E48 I52 M53 Q54 Y494	L42-F50 HydrophobicContact CD2-CD2 4.3Å; L42-F50 HydrophobicContact CG-CB 4.35Å; L42-F50 HydrophobicContact CG-CD2 4.46Å; R43-F50 HydrophobicContact CB-CB 4.48Å; R43-F50 HydrophobicContact CB-CD1 3.85Å; R43-F50 HydrophobicContact CB-CD2 4.06Å; R43-F50 HydrophobicContact CB-CE1 4.03Å; R43-F50 HydrophobicContact CB-CE2 4.24Å; R43-F50 HydrophobicContact CB-CG 3.86Å; R43-F50 HydrophobicContact CB-CZ 4.23Å; D46-F50 PolarHBondContact O-N 2.85Å; E48-F50 VanDerWaalsContact C-N 3.31Å; E48-F50 PolarHBondContact O-N 3.24Å; F50-I52 VanDerWaalsContact C-N 3.31Å; F50-I52 PolarHBondContact O-N 3.06Å; F50-M53 PolarHBondContact O-N 3.41Å; F50-Q54 HydrophobicContact CD1-CG 4.26Å; F50-Q54 HydrophobicContact CE1-CG 3.9Å; F50-Q54 HydrophobicContact CE2-CG 4.5Å; F50-Q54 HydrophobicContact CZ-CG 4.02Å; F50-Q54 WeakPolarHBondContact O-CG 3.38Å; F50-Q54 PolarHBondContact O-N 3.46Å; F50-Y494 AromaticContact CE2-CD1 3.95Å; F50-Y494 HydrophobicContact CE2-CD1 3.95Å; F50-Y494 HydrophobicContact CE2-CE1 4.38Å
51	S	97.7	Very high	96.7	Very high	44 Å²	44	75.2 Å²	75.2	31%	0.308	39%	0.387	S	S	.	.	H	α-helix	trans	-59.8	-39.4	177.1	-170.8	0	0	0	0	112.8	P47 E48 A49 Q54 K55	P47-S51 WeakPolarHBondContact O-CB 3.38Å; P47-S51 PolarHBondContact O-N 3.43Å; E48-S51 WeakPolarHBondContact O-CB 3.08Å; E48-S51 PolarHBondContact O-N 3.04Å; A49-S51 VanDerWaalsContact C-N 3.34Å; A49-S51 PolarHBondContact O-N 3.46Å; S51-Q54 PolarHBondContact O-N 3.48Å; S51-K55 WeakPolarHBondContact O-CG 3.4Å; S51-K55 PolarHBondContact O-N 2.81Å; S51-K55 VanDerWaalsContact O-N 3.1Å
52	I	98.1	Very high	96.9	Very high	104 Å²	104	77 Å²	77	53%	0.533	38%	0.384	S	S	.	.	H	α-helix	trans	-64.7	-44.9	176.6	-66.7	168.5	0	0	0	110.6	E48 A49 F50 Q54 K55 E56	E48-I52 WeakPolarHBondContact O-CG1 3.43Å; E48-I52 PolarHBondContact O-N 3.2Å; E48-I52 VanDerWaalsContact O-N 3.1Å; A49-I52 PolarHBondContact O-N 3.24Å; F50-I52 VanDerWaalsContact C-N 3.31Å; F50-I52 PolarHBondContact O-N 3.06Å; I52-Q54 VanDerWaalsContact C-N 3.34Å; I52-Q54 PolarHBondContact O-N 3.04Å; I52-K55 PolarHBondContact O-N 2.66Å; I52-E56 PolarHBondContact O-N 2.98Å
53	M	97.2	Very high	97.1	Very high	81 Å²	81	73.9 Å²	73.9	40%	0.399	37%	0.369	S	S	.	.	H	α-helix	trans	-61.5	-41.9	178.1	-65.4	177.4	-168.2	0	0	111.8	L42 A49 F50 K55 E56 K57	L42-M53 HydrophobicContact CD2-CE 3.79Å; L42-M53 HydrophobicContact CD2-SD 3.5Å; L42-M53 WeakPolarHBondContact CD2-SD 3.46Å; A49-M53 WeakPolarHBondContact O-CG 3.44Å; A49-M53 PolarHBondContact O-N 2.94Å; F50-M53 PolarHBondContact O-N 3.41Å; M53-K55 PolarHBondContact O-N 3.14Å; M53-E56 PolarHBondContact O-N 2.66Å; M53-K57 PolarHBondContact O-N 2.98Å
54	Q	97.4	Very high	97.3	Very high	83 Å²	83	66.3 Å²	66.3	39%	0.388	34%	0.341	S	S	.	.	H	α-helix	trans	-63.7	-38.8	175.8	-68.9	-167.7	-56.2	0	0	112.8	F50 S51 I52 K57 L58	F50-Q54 HydrophobicContact CD1-CG 4.26Å; F50-Q54 HydrophobicContact CE1-CG 3.9Å; F50-Q54 HydrophobicContact CE2-CG 4.5Å; F50-Q54 HydrophobicContact CZ-CG 4.02Å; F50-Q54 WeakPolarHBondContact O-CG 3.38Å; F50-Q54 PolarHBondContact O-N 3.46Å; S51-Q54 PolarHBondContact O-N 3.48Å; I52-Q54 VanDerWaalsContact C-N 3.34Å; I52-Q54 PolarHBondContact O-N 3.04Å; Q54-K57 PolarHBondContact O-N 3.39Å; Q54-L58 WeakPolarHBondContact O-CB 3.47Å; Q54-L58 PolarHBondContact O-N 2.98Å
55	K	97.6	Very high	97.5	Very high	139 Å²	139	63.2 Å²	63.2	60%	0.604	31%	0.314	S	S	*	.	H	α-helix	trans	-64.1	-40.8	175.4	-72.7	168.9	-174.1	168.5	0	111.7	S51 I52 M53 L58 R59	S51-K55 WeakPolarHBondContact O-CG 3.4Å; S51-K55 PolarHBondContact O-N 2.81Å; S51-K55 VanDerWaalsContact O-N 3.1Å; I52-K55 PolarHBondContact O-N 2.66Å; M53-K55 PolarHBondContact O-N 3.14Å; K55-L58 PolarHBondContact O-N 2.89Å; K55-R59 PolarHBondContact O-N 3.47Å
56	E	98	Very high	97.7	Very high	73 Å²	73	60 Å²	60	34%	0.341	30%	0.295	S	S	.	.	H	α-helix	trans	-66.8	-43	175.6	174.4	54.8	-160.4	0	0	111.9	I52 M53 L58 R59 Q60	I52-E56 PolarHBondContact O-N 2.98Å; M53-E56 PolarHBondContact O-N 2.66Å; E56-L58 VanDerWaalsContact C-N 3.27Å; E56-L58 PolarHBondContact O-N 3.45Å; E56-R59 VanDerWaalsContact CD-NE 3.35Å; E56-R59 WeakPolarHBondContact O-CB 3.36Å; E56-R59 PolarHBondContact O-N 3.3Å; E56-R59 VanDerWaalsContact O-N 3.12Å; E56-R59 IonicContact OE1-CZ 3.09Å; E56-R59 IonicContact OE1-NE 3.25Å; E56-R59 PolarHBondContact OE1-NE 3.47Å; E56-R59 IonicContact OE1-NH2 3.3Å; E56-R59 PolarHBondContact OE1-NH2 2.93Å; E56-R59 WeakPolarHBondContact OE2-CD 3.34Å; E56-R59 IonicContact OE2-CZ 2.89Å; E56-R59 IonicContact OE2-NE 2.64Å; E56-R59 PolarHBondContact OE2-NE 2.82Å; E56-R59 IonicContact OE2-NH2 3.67Å; E56-Q60 WeakPolarHBondContact O-CG 3.48Å; E56-Q60 PolarHBondContact O-N 3Å; E56-Q60 WeakPolarHBondContact OE1-CG 3.48Å; E56-Q60 PolarHBondContact OE1-NE2 3.29Å
57	K	97.3	Very high	97.8	Very high	13 Å²	13	58.3 Å²	58.3	6%	0.057	29%	0.286	C	S	.	.	H	α-helix	trans	-55.1	-46	172.8	179.2	64.9	177.8	-159.2	0	111.2	M53 Q54 R59 Q60 I61 M488 F491	M53-K57 PolarHBondContact O-N 2.98Å; Q54-K57 PolarHBondContact O-N 3.39Å; K57-R59 PolarHBondContact O-N 3.31Å; K57-Q60 PolarHBondContact O-N 3.01Å; K57-I61 HydrophobicContact CD-CD1 4.34Å; K57-I61 HydrophobicContact CG-CD1 4.04Å; K57-I61 WeakPolarHBondContact O-CG1 3.32Å; K57-I61 PolarHBondContact O-N 3.23Å; K57-M488 HydrophobicContact CD-CE 4.44Å; K57-F491 VanDerWaalsContact CE-O 3.32Å; K57-F491 WeakPolarHBondContact CE-O 3.3Å; K57-F491 PolarHBondContact NZ-O 3.09Å
58	L	97	Very high	97.9	Very high	72 Å²	72	54.4 Å²	54.4	38%	0.377	26%	0.26	S	S	.	.	H	α-helix	trans	-64.6	-38.6	177.8	-170.8	60.6	0	0	0	112.5	Q54 K55 E56 I61 R62	Q54-L58 WeakPolarHBondContact O-CB 3.47Å; Q54-L58 PolarHBondContact O-N 2.98Å; K55-L58 PolarHBondContact O-N 2.89Å; E56-L58 VanDerWaalsContact C-N 3.27Å; E56-L58 PolarHBondContact O-N 3.45Å; L58-I61 PolarHBondContact O-N 2.86Å; L58-R62 HydrophobicContact CD1-CG 4.24Å; L58-R62 VanDerWaalsContact CD1-NE 3.35Å; L58-R62 WeakPolarHBondContact O-CB 3.47Å; L58-R62 WeakPolarHBondContact O-CG 3.36Å; L58-R62 PolarHBondContact O-N 2.75Å
59	R	97.9	Very high	97.9	Very high	89 Å²	89	49 Å²	49	34%	0.336	24%	0.239	S	C	.	.	H	α-helix	trans	-58.2	-49.1	174	-172	-158.7	67.5	73	2.2	110.6	K55 E56 K57 I61 R62 S63 E65	K55-R59 PolarHBondContact O-N 3.47Å; E56-R59 VanDerWaalsContact CD-NE 3.35Å; E56-R59 WeakPolarHBondContact O-CB 3.36Å; E56-R59 PolarHBondContact O-N 3.3Å; E56-R59 VanDerWaalsContact O-N 3.12Å; E56-R59 IonicContact OE1-CZ 3.09Å; E56-R59 IonicContact OE1-NE 3.25Å; E56-R59 PolarHBondContact OE1-NE 3.47Å; E56-R59 IonicContact OE1-NH2 3.3Å; E56-R59 PolarHBondContact OE1-NH2 2.93Å; E56-R59 WeakPolarHBondContact OE2-CD 3.34Å; E56-R59 IonicContact OE2-CZ 2.89Å; E56-R59 IonicContact OE2-NE 2.64Å; E56-R59 PolarHBondContact OE2-NE 2.82Å; E56-R59 IonicContact OE2-NH2 3.67Å; K57-R59 PolarHBondContact O-N 3.31Å; R59-I61 PolarHBondContact O-N 3.24Å; R59-R62 CarbonylContact O-C 3.33Å; R59-R62 PolarHBondContact O-N 3.44Å; R59-S63 VanDerWaalsContact O-CB 3.25Å; R59-S63 WeakPolarHBondContact O-CB 3.45Å; R59-S63 PolarHBondContact O-N 3.5Å; R59-S63 PolarHBondContact O-OG 2.92Å; R59-E65 IonicContact CZ-OE1 3.61Å; R59-E65 IonicContact NH1-OE1 3.25Å; R59-E65 PolarHBondContact NH1-OE1 3.3Å; R59-E65 IonicContact NH1-OE2 2.8Å; R59-E65 IonicContact NH2-OE1 3.89Å; R59-E65 PolarHBondContact NH2-OE1 2.83Å
60	Q	98	Very high	98	Very high	44 Å²	44	51.3 Å²	51.3	21%	0.206	25%	0.245	C	C	.	.	H	α-helix	trans	-64	-39.9	-179.9	-66.4	173.2	12.2	0	0	112.5	E56 K57 R62 F72 R423 M488	E56-Q60 WeakPolarHBondContact O-CG 3.48Å; E56-Q60 PolarHBondContact O-N 3Å; E56-Q60 WeakPolarHBondContact OE1-CG 3.48Å; E56-Q60 PolarHBondContact OE1-NE2 3.29Å; K57-Q60 PolarHBondContact O-N 3.01Å; Q60-R62 VanDerWaalsContact C-N 3.33Å; Q60-R62 PolarHBondContact O-N 3.4Å; Q60-F72 HydrophobicContact CB-CE1 4.25Å; Q60-F72 HydrophobicContact CG-CE1 4.37Å; Q60-R423 PolarHBondContact O-NH1 3.49Å; Q60-R423 VanDerWaalsContact O-NH1 3.11Å; Q60-M488 HydrophobicContact CB-CE 3.39Å; Q60-M488 HydrophobicContact CB-SD 4.43Å; Q60-M488 HydrophobicContact CG-CE 4.23Å
61	I	97.8	Very high	98.1	Very high	46 Å²	46	50.9 Å²	50.9	24%	0.236	24%	0.244	C	C	.	.	H	α-helix	trans	-61.5	-43.7	175.6	-69.4	166.3	0	0	0	110.7	K57 L58 R59 R423 S483 T484 M488	K57-I61 HydrophobicContact CD-CD1 4.34Å; K57-I61 HydrophobicContact CG-CD1 4.04Å; K57-I61 WeakPolarHBondContact O-CG1 3.32Å; K57-I61 PolarHBondContact O-N 3.23Å; L58-I61 PolarHBondContact O-N 2.86Å; R59-I61 PolarHBondContact O-N 3.24Å; I61-R423 PolarHBondContact O-NH1 3.39Å; I61-R423 PolarHBondContact O-NH2 2.89Å; I61-R423 VanDerWaalsContact O-NH2 3.15Å; I61-S483 CarbonylContact O-C 3.59Å; I61-S483 PolarHBondContact O-OG 2.75Å; I61-T484 HydrophobicContact CG2-CG2 4.08Å; I61-M488 HydrophobicContact CG1-CB 3.92Å; I61-M488 HydrophobicContact CG1-CG 3.75Å; I61-M488 HydrophobicContact CG1-SD 4.45Å
62	R	98.1	Very high	98.1	Very high	107 Å²	107	49.6 Å²	49.6	40%	0.404	23%	0.233	S	C	.	.	H	α-helix	trans	-86.7	-1.3	-173.9	-68.1	-177.7	178.4	177	1.3	114.5	L58 R59 Q60 Q480 S483 T484	L58-R62 HydrophobicContact CD1-CG 4.24Å; L58-R62 VanDerWaalsContact CD1-NE 3.35Å; L58-R62 WeakPolarHBondContact O-CB 3.47Å; L58-R62 WeakPolarHBondContact O-CG 3.36Å; L58-R62 PolarHBondContact O-N 2.75Å; R59-R62 CarbonylContact O-C 3.33Å; R59-R62 PolarHBondContact O-N 3.44Å; Q60-R62 VanDerWaalsContact C-N 3.33Å; Q60-R62 PolarHBondContact O-N 3.4Å; R62-Q480 HydrophobicContact CB-CG 4.11Å; R62-Q480 WeakPolarHBondContact O-CG 3.41Å; R62-S483 WeakPolarHBondContact CA-OG 3.38Å; R62-S483 PolarHBondContact O-OG 3.36Å; R62-T484 HydrophobicContact CG-CG2 3.78Å
63	S	98.5	Very high	98.1	Very high	7 Å²	7	46.2 Å²	46.2	5%	0.049	22%	0.218	C	C	.	.	S	Bend	trans	-110.4	152.8	-176.9	-55.9	0	0	0	0	112.7	R59 E65 S393 R423	R59-S63 VanDerWaalsContact O-CB 3.25Å; R59-S63 WeakPolarHBondContact O-CB 3.45Å; R59-S63 PolarHBondContact O-N 3.5Å; R59-S63 PolarHBondContact O-OG 2.92Å; S63-E65 WeakPolarHBondContact CB-OE1 3.33Å; S63-S393 CarbonylContact C-O 3.59Å; S63-S393 VanDerWaalsContact CA-O 3.23Å; S63-S393 WeakPolarHBondContact CA-O 3.21Å; S63-S393 WeakPolarHBondContact CB-O 3.46Å; S63-R423 PolarHBondContact O-NH1 3.47Å
64	V	98.8	Very high	98.1	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	108.9	162.8	179.9	0	0	0	0	107.5	L66 S393 I394 A395 M420 V433 V479 F482	V64-L66 HydrophobicContact CG1-CD1 4.26Å; V64-L66 HydrophobicContact CG1-CD2 4Å; V64-L66 HydrophobicContact CG1-CG 3.94Å; V64-S393 PolarHBondContact N-O 3.01Å; V64-I394 HydrophobicContact CB-CG1 4.26Å; V64-I394 WeakPolarHBondContact O-CA 3.43Å; V64-A395 PolarHBondContact O-N 2.81Å; V64-M420 HydrophobicContact CB-CE 4.4Å; V64-M420 HydrophobicContact CG1-CE 4.26Å; V64-M420 HydrophobicContact CG1-CG 4.08Å; V64-M420 HydrophobicContact CG1-SD 4.4Å; V64-M420 HydrophobicContact CG2-CE 4.33Å; V64-V433 HydrophobicContact CG1-CG1 3.89Å; V64-V433 HydrophobicContact CG1-CG2 3.87Å; V64-V479 HydrophobicContact CG2-CG1 3.83Å; V64-F482 HydrophobicContact CG2-CD1 3.98Å; V64-F482 HydrophobicContact CG2-CE1 4.16Å
65	E	98.8	Very high	98.1	Very high	2 Å²	2	46 Å²	46	1%	0.009	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	101.6	-175.7	-64	-60.9	162.1	0	0	111.8	R59 S63 F72 A395 A419 M420	R59-E65 IonicContact CZ-OE1 3.61Å; R59-E65 IonicContact NH1-OE1 3.25Å; R59-E65 PolarHBondContact NH1-OE1 3.3Å; R59-E65 IonicContact NH1-OE2 2.8Å; R59-E65 IonicContact NH2-OE1 3.89Å; R59-E65 PolarHBondContact NH2-OE1 2.83Å; S63-E65 WeakPolarHBondContact CB-OE1 3.33Å; E65-F72 HydrophobicContact CB-CZ 4.38Å; E65-F72 HydrophobicContact CG-CZ 3.87Å; E65-A395 WeakPolarHBondContact OE2-CB 3.35Å; E65-A419 HydrophobicContact CB-CB 3.87Å; E65-M420 HydrophobicContact CB-SD 4.11Å; E65-M420 PolarHBondContact N-SD 2.94Å; E65-M420 WeakPolarHBondContact O-CG 3.41Å
66	L	98.8	Very high	98.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.202	C	C	.	.			trans	-110.7	8.5	-178.9	-56.4	177.4	0	0	0	113.4	V64 A68 I394 A395 C396 L415 G416 M420 F430 V433 I437	V64-L66 HydrophobicContact CG1-CD1 4.26Å; V64-L66 HydrophobicContact CG1-CD2 4Å; V64-L66 HydrophobicContact CG1-CG 3.94Å; L66-A68 PolarHBondContact O-N 2.81Å; L66-A68 VanDerWaalsContact O-N 3.07Å; L66-I394 HydrophobicContact CD1-CG2 3.82Å; L66-I394 HydrophobicContact CG-CG2 4.45Å; L66-A395 CarbonylContact C-O 3.57Å; L66-A395 VanDerWaalsContact CA-O 3.29Å; L66-A395 WeakPolarHBondContact CA-O 3.43Å; L66-A395 WeakPolarHBondContact CB-O 3.38Å; L66-A395 PolarHBondContact N-O 3.43Å; L66-C396 HydrophobicContact CB-CB 4.37Å; L66-L415 HydrophobicContact CB-CD2 4.13Å; L66-L415 HydrophobicContact CD1-CD2 4.03Å; L66-L415 CarbonylContact O-C 3.55Å; L66-L415 WeakPolarHBondContact O-CA 3.38Å; L66-G416 PolarHBondContact O-N 3.1Å; L66-M420 HydrophobicContact CD2-CG 4.41Å; L66-F430 HydrophobicContact CD2-CE1 4.2Å; L66-V433 HydrophobicContact CD1-CG1 3.75Å; L66-V433 HydrophobicContact CD2-CG1 4.15Å; L66-V433 HydrophobicContact CG-CG1 4.48Å; L66-I437 HydrophobicContact CD1-CD1 3.69Å; L66-I437 HydrophobicContact CD1-CG1 4.4Å
67	I	98.7	Very high	98.2	Very high	36 Å²	36	38 Å²	38	19%	0.185	19%	0.186	C	C	.	.			trans	-66.4	110.6	172	-62	176.3	0	0	0	108.5	S69 E70 A395	I67-S69 WeakPolarHBondContact CG2-OG 3.33Å; I67-S69 PolarHBondContact O-N 2.86Å; I67-E70 HydrophobicContact CB-CB 4.32Å; I67-E70 HydrophobicContact CB-CG 4.01Å; I67-E70 HydrophobicContact CG2-CB 4.47Å; I67-E70 HydrophobicContact CG2-CG 3.81Å; I67-E70 PolarHBondContact O-N 3.41Å; I67-A395 HydrophobicContact CD1-CB 4.26Å; I67-A395 HydrophobicContact CG1-CB 4.37Å; I67-A395 PolarHBondContact N-O 3.21Å
68	A	98.3	Very high	98.2	Very high	2 Å²	2	39.4 Å²	39.4	2%	0.017	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-10	-171.4	0	0	0	0	0	116.3	L66 H369 I370 R414	L66-A68 PolarHBondContact O-N 2.81Å; L66-A68 VanDerWaalsContact O-N 3.07Å; A68-H369 PolarHBondContact O-CD2 3.08Å; A68-H369 PolarHBondContact O-NE2 2.91Å; A68-I370 HydrophobicContact CB-CG1 4.11Å; A68-R414 HydrophobicContact CB-CG 4.19Å
69	S	98.3	Very high	98.3	Very high	32 Å²	32	40.3 Å²	40.3	22%	0.224	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-0.4	176.9	50.2	0	0	0	0	114.1	I67 K273	I67-S69 WeakPolarHBondContact CG2-OG 3.33Å; I67-S69 PolarHBondContact O-N 2.86Å; S69-K273 WeakPolarHBondContact O-CG 3.48Å
70	E	98.6	Very high	98.3	Very high	73 Å²	73	36.7 Å²	36.7	34%	0.341	19%	0.185	S	C	.	.			trans	-102.6	154.2	-179	-67.9	-174.4	178.4	0	0	112.2	I67	I67-E70 HydrophobicContact CB-CB 4.32Å; I67-E70 HydrophobicContact CB-CG 4.01Å; I67-E70 HydrophobicContact CG2-CB 4.47Å; I67-E70 HydrophobicContact CG2-CG 3.81Å; I67-E70 PolarHBondContact O-N 3.41Å
71	N	98.6	Very high	98.3	Very high	20 Å²	20	36.7 Å²	36.7	11%	0.107	19%	0.186	C	C	.	.			trans	-165	169.4	176.1	-147.8	-22.3	0	0	0	110.1	K273 R276 Y339 S422	N71-K273 WeakPolarHBondContact CB-O 3.26Å; N71-K273 PolarHBondContact ND2-O 3.45Å; N71-K273 VanDerWaalsContact ND2-O 3.07Å; N71-R276 HydrophobicContact CB-CG 4.49Å; N71-Y339 PolarHBondContact ND2-OH 3Å; N71-S422 WeakPolarHBondContact OD1-CB 3.45Å; N71-S422 PolarHBondContact OD1-OG 3.04Å
72	F	98.3	Very high	98.2	Very high	18 Å²	18	39.6 Å²	39.6	8%	0.079	21%	0.211	C	C	.	.			trans	-108.6	112.6	179.7	-54	-66.7	0	0	0	110.6	Q60 E65 R276 A419 R423 M488 P489	Q60-F72 HydrophobicContact CB-CE1 4.25Å; Q60-F72 HydrophobicContact CG-CE1 4.37Å; E65-F72 HydrophobicContact CB-CZ 4.38Å; E65-F72 HydrophobicContact CG-CZ 3.87Å; F72-R276 VanDerWaalsContact O-CD 3.24Å; F72-R276 WeakPolarHBondContact O-CD 3.45Å; F72-R276 WeakPolarHBondContact O-CG 3.3Å; F72-A419 HydrophobicContact CD2-CB 4.34Å; F72-A419 WeakPolarHBondContact CD2-O 3.24Å; F72-A419 HydrophobicContact CE2-CB 3.84Å; F72-A419 WeakPolarHBondContact CE2-O 3.49Å; F72-A419 HydrophobicContact CZ-CB 4.4Å; F72-R423 HydrophobicContact CD2-CG 3.92Å; F72-R423 HydrophobicContact CE2-CG 3.69Å; F72-M488 HydrophobicContact CD1-CE 3.65Å; F72-M488 HydrophobicContact CD1-SD 4.27Å; F72-M488 HydrophobicContact CE1-CE 3.52Å; F72-M488 HydrophobicContact CE1-SD 4.12Å; F72-M488 HydrophobicContact CG-CE 4.42Å; F72-M488 HydrophobicContact CZ-CE 4.17Å; F72-M488 HydrophobicContact CZ-SD 4.22Å; F72-P489 HydrophobicContact CB-CB 3.96Å; F72-P489 HydrophobicContact CB-CG 3.98Å
73	P	97.8	Very high	98.1	Very high	33 Å²	33	36.3 Å²	36.3	21%	0.214	20%	0.204	C	C	.	.			trans	-65.5	156.6	176.9	29.3	-35.5	0	0	0	111.5	V77 L78	P73-V77 HydrophobicContact CB-CB 4.25Å; P73-V77 HydrophobicContact CB-CG1 3.89Å; P73-L78 HydrophobicContact CB-CD2 4.37Å; P73-L78 HydrophobicContact CB-CG 4.49Å; P73-L78 HydrophobicContact CG-CD1 4.42Å; P73-L78 HydrophobicContact CG-CD2 3.61Å; P73-L78 HydrophobicContact CG-CG 4.02Å
74	S	97.7	Very high	98.1	Very high	27 Å²	27	40.2 Å²	40.2	19%	0.189	23%	0.231	C	C	.	.			trans	-68.7	156.4	174	71.8	0	0	0	0	111.6	A76 V77 L78 L330	S74-A76 VanDerWaalsContact C-N 3.25Å; S74-A76 PolarHBondContact O-N 3.06Å; S74-V77 WeakPolarHBondContact O-CB 3.46Å; S74-V77 PolarHBondContact O-N 3.49Å; S74-V77 VanDerWaalsContact O-N 3.08Å; S74-V77 WeakPolarHBondContact OG-CG2 3.28Å; S74-V77 PolarHBondContact OG-N 3.33Å; S74-L78 PolarHBondContact O-N 3.08Å; S74-L78 VanDerWaalsContact O-N 3.13Å; S74-L330 VanDerWaalsContact OG-CD1 3.24Å; S74-L330 WeakPolarHBondContact OG-CD1 3.33Å
75	R	97.9	Very high	98	Very high	132 Å²	132	41.9 Å²	41.9	50%	0.498	24%	0.24	S	C	.	.	H	α-helix	trans	-53.6	-42.4	172.7	178.2	174.4	169	162.8	0.6	112.3	V77 L78 E79 F491	R75-V77 VanDerWaalsContact C-N 3.3Å; R75-V77 PolarHBondContact O-N 3.44Å; R75-L78 WeakPolarHBondContact O-CB 3.34Å; R75-L78 PolarHBondContact O-N 3.41Å; R75-L78 VanDerWaalsContact O-N 3.09Å; R75-E79 HydrophobicContact CG-CG 4.27Å; R75-E79 IonicContact CZ-OE1 2.8Å; R75-E79 IonicContact NE-OE1 3.5Å; R75-E79 PolarHBondContact NE-OE1 3.05Å; R75-E79 IonicContact NH2-OE1 2.7Å; R75-E79 PolarHBondContact NH2-OE1 2.91Å; R75-E79 WeakPolarHBondContact O-CG 3.28Å; R75-E79 PolarHBondContact O-N 3.05Å; R75-F491 HydrophobicContact CG-CD1 4.16Å; R75-F491 HydrophobicContact CG-CE1 3.87Å; R75-F491 HydrophobicContact CG-CZ 4.45Å
76	A	98.3	Very high	98	Very high	45 Å²	45	47.9 Å²	47.9	37%	0.372	27%	0.268	S	S	.	.	H	α-helix	trans	-61.9	-35.9	178.4	0	0	0	0	0	113.1	S74 A80 V326	S74-A76 VanDerWaalsContact C-N 3.25Å; S74-A76 PolarHBondContact O-N 3.06Å; A76-A80 WeakPolarHBondContact O-CB 3.39Å; A76-A80 PolarHBondContact O-N 2.9Å; A76-A80 VanDerWaalsContact O-N 3.1Å; A76-V326 HydrophobicContact CB-CG1 3.85Å
77	V	98.6	Very high	97.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-66.9	-40.9	173.9	166.5	0	0	0	0	110.8	P73 S74 R75 A80 L81 P278 A323 V326 A327 L330	P73-V77 HydrophobicContact CB-CB 4.25Å; P73-V77 HydrophobicContact CB-CG1 3.89Å; S74-V77 WeakPolarHBondContact O-CB 3.46Å; S74-V77 PolarHBondContact O-N 3.49Å; S74-V77 VanDerWaalsContact O-N 3.08Å; S74-V77 WeakPolarHBondContact OG-CG2 3.28Å; S74-V77 PolarHBondContact OG-N 3.33Å; R75-V77 VanDerWaalsContact C-N 3.3Å; R75-V77 PolarHBondContact O-N 3.44Å; V77-A80 PolarHBondContact O-N 3.27Å; V77-L81 PolarHBondContact O-N 3.14Å; V77-P278 HydrophobicContact CG1-CB 4.38Å; V77-A323 HydrophobicContact CG1-CB 4.22Å; V77-V326 HydrophobicContact CG2-CB 4.26Å; V77-V326 HydrophobicContact CG2-CG1 3.89Å; V77-A327 HydrophobicContact CG2-CB 3.87Å; V77-L330 HydrophobicContact CG2-CD1 4.44Å
78	L	98	Very high	97.9	Very high	42 Å²	42	55.5 Å²	55.5	22%	0.22	31%	0.306	C	S	.	.	H	α-helix	trans	-67.8	-40.5	177.5	-63.4	175	0	0	0	112.2	P73 S74 R75 A80 L81 S82 F491	P73-L78 HydrophobicContact CB-CD2 4.37Å; P73-L78 HydrophobicContact CB-CG 4.49Å; P73-L78 HydrophobicContact CG-CD1 4.42Å; P73-L78 HydrophobicContact CG-CD2 3.61Å; P73-L78 HydrophobicContact CG-CG 4.02Å; S74-L78 PolarHBondContact O-N 3.08Å; S74-L78 VanDerWaalsContact O-N 3.13Å; R75-L78 WeakPolarHBondContact O-CB 3.34Å; R75-L78 PolarHBondContact O-N 3.41Å; R75-L78 VanDerWaalsContact O-N 3.09Å; L78-A80 VanDerWaalsContact C-N 3.34Å; L78-A80 PolarHBondContact O-N 3.42Å; L78-L81 HydrophobicContact CD2-CD1 4.29Å; L78-L81 WeakPolarHBondContact O-CB 3.44Å; L78-L81 PolarHBondContact O-N 3.43Å; L78-S82 PolarHBondContact O-N 2.9Å; L78-F491 HydrophobicContact CB-CD2 4.36Å; L78-F491 HydrophobicContact CB-CE2 3.62Å; L78-F491 HydrophobicContact CB-CZ 4.16Å; L78-F491 HydrophobicContact CD1-CD2 4.06Å; L78-F491 HydrophobicContact CD1-CE2 4.15Å
79	E	98.1	Very high	97.9	Very high	90 Å²	90	61.5 Å²	61.5	42%	0.421	33%	0.329	S	S	.	.	H	α-helix	trans	-61	-42.4	174.2	-72.8	176.5	175.7	0	0	111.4	R75 L81 S82 C83 F491	R75-E79 HydrophobicContact CG-CG 4.27Å; R75-E79 IonicContact CZ-OE1 2.8Å; R75-E79 IonicContact NE-OE1 3.5Å; R75-E79 PolarHBondContact NE-OE1 3.05Å; R75-E79 IonicContact NH2-OE1 2.7Å; R75-E79 PolarHBondContact NH2-OE1 2.91Å; R75-E79 WeakPolarHBondContact O-CG 3.28Å; R75-E79 PolarHBondContact O-N 3.05Å; E79-L81 VanDerWaalsContact C-N 3.35Å; E79-L81 PolarHBondContact O-N 3.02Å; E79-S82 PolarHBondContact O-N 2.78Å; E79-C83 PolarHBondContact O-N 2.82Å; E79-F491 HydrophobicContact CG-CE1 3.93Å; E79-F491 HydrophobicContact CG-CZ 3.71Å
80	A	98.4	Very high	97.9	Very high	13 Å²	13	60 Å²	60	11%	0.107	32%	0.318	C	S	.	.	H	α-helix	trans	-65.4	-35	174.9	0	0	0	0	0	112.9	A76 V77 L78 S82 C83 A322 A323 V326	A76-A80 WeakPolarHBondContact O-CB 3.39Å; A76-A80 PolarHBondContact O-N 2.9Å; A76-A80 VanDerWaalsContact O-N 3.1Å; V77-A80 PolarHBondContact O-N 3.27Å; L78-A80 VanDerWaalsContact C-N 3.34Å; L78-A80 PolarHBondContact O-N 3.42Å; A80-S82 PolarHBondContact O-N 3.47Å; A80-C83 PolarHBondContact O-N 2.8Å; A80-C83 PolarHBondContact O-SG 2.94Å; A80-A322 HydrophobicContact CB-CB 4.5Å; A80-A323 HydrophobicContact CB-CB 3.95Å; A80-V326 HydrophobicContact CB-CG2 4.1Å
81	L	97.4	Very high	97.9	Very high	44 Å²	44	58 Å²	58	23%	0.23	31%	0.309	C	S	.	.	H	α-helix	trans	-63.4	-30.1	175.8	-83.7	173.4	0	0	0	113.1	V77 L78 E79 P278 N319 A323	V77-L81 PolarHBondContact O-N 3.14Å; L78-L81 HydrophobicContact CD2-CD1 4.29Å; L78-L81 WeakPolarHBondContact O-CB 3.44Å; L78-L81 PolarHBondContact O-N 3.43Å; E79-L81 VanDerWaalsContact C-N 3.35Å; E79-L81 PolarHBondContact O-N 3.02Å; L81-P278 HydrophobicContact CD1-CB 3.93Å; L81-P278 HydrophobicContact CD2-CB 3.75Å; L81-P278 HydrophobicContact CG-CB 4.06Å; L81-N319 PolarHBondContact O-ND2 3.15Å; L81-A323 HydrophobicContact CD2-CB 3.84Å; L81-A323 HydrophobicContact CG-CB 3.65Å
82	S	95.9	Very high	97.8	Very high	108 Å²	108	57.1 Å²	57.1	76%	0.755	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	14.3	-178.1	-62.4	0	0	0	0	113.6	L78 E79 A80	L78-S82 PolarHBondContact O-N 2.9Å; E79-S82 PolarHBondContact O-N 2.78Å; A80-S82 PolarHBondContact O-N 3.47Å
83	C	96.3	Very high	97.9	Very high	38 Å²	38	58 Å²	58	26%	0.257	31%	0.308	S	S	.	.	S	Bend	trans	-80.8	171.3	-179.1	79.3	0	0	0	0	113.4	E79 A80 L85 H86	E79-C83 PolarHBondContact O-N 2.82Å; A80-C83 PolarHBondContact O-N 2.8Å; A80-C83 PolarHBondContact O-SG 2.94Å; C83-L85 PolarHBondContact O-N 3.21Å; C83-L85 VanDerWaalsContact O-N 3.11Å; C83-H86 WeakPolarHBondContact O-CB 3.17Å; C83-H86 PolarHBondContact O-N 3.45Å
84	S	97.7	Very high	97.9	Very high	89 Å²	89	57.3 Å²	57.3	62%	0.622	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-64.1	-15.1	-176.2	56.8	0	0	0	0	115	H86 N87	S84-H86 PolarHBondContact O-N 2.81Å; S84-H86 VanDerWaalsContact O-N 3.11Å; S84-N87 WeakPolarHBondContact O-CB 3.19Å; S84-N87 PolarHBondContact O-N 3.33Å
85	L	98	Very high	97.8	Very high	36 Å²	36	62.7 Å²	62.7	19%	0.188	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-60.3	-21.3	174.4	-80.5	62	0	0	0	111.6	C83 N87 K88 I105 M108 E318 N319 A322	C83-L85 PolarHBondContact O-N 3.21Å; C83-L85 VanDerWaalsContact O-N 3.11Å; L85-N87 PolarHBondContact O-N 3.13Å; L85-N87 VanDerWaalsContact O-N 3.1Å; L85-K88 PolarHBondContact O-N 2.64Å; L85-K88 VanDerWaalsContact O-N 3.17Å; L85-I105 HydrophobicContact CD2-CD1 4.49Å; L85-I105 HydrophobicContact CG-CD1 4.03Å; L85-M108 HydrophobicContact CD2-CB 4.34Å; L85-M108 HydrophobicContact CD2-CE 4.3Å; L85-M108 HydrophobicContact CD2-CG 3.94Å; L85-E318 HydrophobicContact CB-CB 4.02Å; L85-N319 HydrophobicContact CB-CB 4.48Å; L85-A322 HydrophobicContact CD2-CB 3.73Å
86	H	97.2	Very high	97.8	Very high	128 Å²	128	59.5 Å²	59.5	59%	0.593	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-53.5	-29	172.1	-173	70	0	0	0	113.3	C83 S84 N319	C83-H86 WeakPolarHBondContact O-CB 3.17Å; C83-H86 PolarHBondContact O-N 3.45Å; S84-H86 PolarHBondContact O-N 2.81Å; S84-H86 VanDerWaalsContact O-N 3.11Å; H86-N319 HydrophobicContact CB-CB 4.1Å; H86-N319 PolarHBondContact ND1-ND2 3.09Å
87	N	97.8	Very high	97.8	Very high	137 Å²	137	59.1 Å²	59.1	73%	0.733	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-81.2	-15.3	-174.9	-59.8	-23.5	0	0	0	113.4	S84 L85	S84-N87 WeakPolarHBondContact O-CB 3.19Å; S84-N87 PolarHBondContact O-N 3.33Å; L85-N87 PolarHBondContact O-N 3.13Å; L85-N87 VanDerWaalsContact O-N 3.1Å
88	K	98.2	Very high	97.8	Very high	59 Å²	59	66.4 Å²	66.4	26%	0.257	35%	0.35	S	S	.	.			trans	-95.9	124.8	-167.7	-168.1	57.1	174.7	73.9	0	112.2	L85 G100 G101 N102 I105	L85-K88 PolarHBondContact O-N 2.64Å; L85-K88 VanDerWaalsContact O-N 3.17Å; K88-G100 WeakPolarHBondContact CE-O 3.41Å; K88-G100 PolarHBondContact NZ-O 2.77Å; K88-G101 WeakPolarHBondContact CE-O 3.37Å; K88-N102 WeakPolarHBondContact CE-OD1 3.47Å; K88-N102 VanDerWaalsContact NZ-CG 3.31Å; K88-N102 PolarHBondContact NZ-ND2 3.23Å; K88-N102 PolarHBondContact NZ-OD1 2.61Å; K88-I105 HydrophobicContact CB-CD1 3.91Å; K88-I105 HydrophobicContact CB-CG1 4.16Å; K88-I105 HydrophobicContact CG-CD1 3.93Å; K88-I105 HydrophobicContact CG-CG1 3.59Å
89	Y	98	Very high	97.7	Very high	128 Å²	128	70 Å²	70	50%	0.502	36%	0.361	S	S	.	.			trans	-89.4	123.9	170.5	-140.8	-80.6	0	0	0	110.4	E91 Y99 G315	Y89-E91 HydrophobicContact CD1-CG 4Å; Y89-E91 VanDerWaalsContact CE1-CD 3.48Å; Y89-E91 HydrophobicContact CE1-CG 3.51Å; Y89-Y99 AromaticContact CD1-CD2 3.96Å; Y89-Y99 HydrophobicContact CD1-CD2 3.96Å; Y89-Y99 AromaticContact CD1-CE2 3.49Å; Y89-Y99 HydrophobicContact CD1-CE2 3.49Å; Y89-Y99 VanDerWaalsContact CD1-CE2 3.49Å; Y89-Y99 AromaticContact CE1-CE2 3.99Å; Y89-Y99 HydrophobicContact CE1-CE2 3.99Å; Y89-Y99 HydrophobicContact CG-CE2 4.38Å; Y89-G315 PolarHBondContact OH-N 3.01Å
90	A	98.2	Very high	97.7	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.372	C	S	.	.			trans	-139.7	45.9	-169.4	0	0	0	0	0	113.4	G92 R97 N102 I105 P316 E318	A90-G92 PolarHBondContact O-N 2.78Å; A90-R97 WeakPolarHBondContact O-CD 3.41Å; A90-R97 PolarHBondContact O-NH1 3.07Å; A90-N102 VanDerWaalsContact CB-OD1 3.25Å; A90-N102 WeakPolarHBondContact CB-OD1 3.49Å; A90-I105 HydrophobicContact CB-CG2 3.72Å; A90-P316 HydrophobicContact CB-CG 4.16Å; A90-P316 WeakPolarHBondContact O-CD 3.19Å; A90-P316 WeakPolarHBondContact O-CG 3.33Å; A90-E318 HydrophobicContact CB-CG 4.25Å; A90-E318 WeakPolarHBondContact CB-OE1 3.25Å
91	E	98.5	Very high	97.7	Very high	31 Å²	31	71.4 Å²	71.4	15%	0.145	40%	0.401	C	S	.	.			trans	-51.3	140.5	174.9	-82.5	179.5	151.1	0	0	112.8	Y89 R97 Y98 Y99 F309	Y89-E91 HydrophobicContact CD1-CG 4Å; Y89-E91 VanDerWaalsContact CE1-CD 3.48Å; Y89-E91 HydrophobicContact CE1-CG 3.51Å; E91-R97 VanDerWaalsContact O-CA 3.31Å; E91-R97 WeakPolarHBondContact O-CA 3.18Å; E91-Y98 HydrophobicContact CB-CD2 4.2Å; E91-Y98 HydrophobicContact CB-CG 4.44Å; E91-Y98 WeakPolarHBondContact O-CD2 3.23Å; E91-Y98 PolarHBondContact O-N 3.12Å; E91-Y99 HydrophobicContact CB-CE2 4.3Å; E91-Y99 WeakPolarHBondContact OE2-CE2 3.23Å; E91-Y99 PolarHBondContact OE2-OH 2.87Å; E91-Y99 VanDerWaalsContact OE2-OH 3.13Å; E91-F309 HydrophobicContact CB-CE2 3.81Å; E91-F309 HydrophobicContact CB-CZ 3.7Å; E91-F309 HydrophobicContact CG-CD2 4.32Å; E91-F309 HydrophobicContact CG-CE2 3.53Å; E91-F309 HydrophobicContact CG-CZ 3.95Å
92	G	98.3	Very high	97.7	Very high	2 Å²	2	69.7 Å²	69.7	2%	0.021	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	98.4	-156.8	-170.2	0	0	0	0	0	112.5	A90 R97 Q132	A90-G92 PolarHBondContact O-N 2.78Å; G92-R97 PolarHBondContact O-NH1 3.29Å; G92-R97 VanDerWaalsContact O-NH1 3.1Å; G92-Q132 PolarHBondContact O-NE2 3.31Å
93	Y	98.6	Very high	97.8	Very high	35 Å²	35	71.1 Å²	71.1	14%	0.137	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	165.4	-178.1	-69.1	-76.1	0	0	0	109.8	N95 A96 R97 N130 Q132 D305	Y93-N95 PolarHBondContact O-N 3.24Å; Y93-A96 PolarHBondContact N-O 3Å; Y93-A96 CarbonylContact O-C 3.19Å; Y93-A96 WeakPolarHBondContact O-CA 3.42Å; Y93-A96 PolarHBondContact O-N 3.44Å; Y93-R97 WeakPolarHBondContact O-CD 3.13Å; Y93-R97 PolarHBondContact O-N 2.86Å; Y93-R97 PolarHBondContact O-NE 3.47Å; Y93-N130 WeakPolarHBondContact CE1-ND2 2.97Å; Y93-N130 PolarHBondContact OH-ND2 3.38Å; Y93-Q132 VanDerWaalsContact CD1-NE2 3.34Å; Y93-Q132 HydrophobicContact CE1-CG 4.42Å; Y93-D305 HydrophobicContact CD2-CB 4.42Å; Y93-D305 HydrophobicContact CE1-CB 4.32Å; Y93-D305 HydrophobicContact CE2-CB 3.64Å; Y93-D305 VanDerWaalsContact OH-C 3.26Å; Y93-D305 WeakPolarHBondContact OH-CA 3.35Å; Y93-D305 PolarHBondContact OH-O 3.48Å
94	P	98.5	Very high	97.9	Very high	19 Å²	19	75.3 Å²	75.3	12%	0.123	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	133.9	178.9	-30.1	36.6	0	0	0	112.9	A96 D106 E109 L110	P94-A96 PolarHBondContact O-N 3.28Å; P94-D106 HydrophobicContact CB-CB 4.07Å; P94-E109 HydrophobicContact CG-CB 3.94Å; P94-E109 HydrophobicContact CG-CG 3.98Å; P94-L110 HydrophobicContact CB-CD1 4.13Å; P94-L110 HydrophobicContact CB-CD2 3.93Å; P94-L110 HydrophobicContact CB-CG 3.8Å; P94-L110 HydrophobicContact CG-CD2 4.19Å; P94-L110 HydrophobicContact CG-CG 4.07Å
95	N	96	Very high	97.9	Very high	140 Å²	140	71.5 Å²	71.5	75%	0.749	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	7	-174.3	-49.3	-68	0	0	0	115.8	Y93 D106	Y93-N95 PolarHBondContact O-N 3.24Å; N95-D106 PolarHBondContact N-OD2 3.05Å
96	A	97.7	Very high	98	Very high	66 Å²	66	70.6 Å²	70.6	55%	0.545	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	47.4	179.8	0	0	0	0	0	110.9	Y93 P94	Y93-A96 PolarHBondContact N-O 3Å; Y93-A96 CarbonylContact O-C 3.19Å; Y93-A96 WeakPolarHBondContact O-CA 3.42Å; Y93-A96 PolarHBondContact O-N 3.44Å; P94-A96 PolarHBondContact O-N 3.28Å
97	R	98.2	Very high	98	Very high	37 Å²	37	69.9 Å²	69.9	14%	0.14	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	149.9	-179	-58.3	-67.4	-171.3	-175.7	-4	111.6	A90 E91 G92 Y93 Y99 N102 D106 E109 E318	A90-R97 WeakPolarHBondContact O-CD 3.41Å; A90-R97 PolarHBondContact O-NH1 3.07Å; E91-R97 VanDerWaalsContact O-CA 3.31Å; E91-R97 WeakPolarHBondContact O-CA 3.18Å; G92-R97 PolarHBondContact O-NH1 3.29Å; G92-R97 VanDerWaalsContact O-NH1 3.1Å; Y93-R97 WeakPolarHBondContact O-CD 3.13Å; Y93-R97 PolarHBondContact O-N 2.86Å; Y93-R97 PolarHBondContact O-NE 3.47Å; R97-Y99 VanDerWaalsContact C-N 3.33Å; R97-N102 HydrophobicContact CG-CB 3.91Å; R97-D106 IonicContact CZ-OD1 3.23Å; R97-D106 VanDerWaalsContact CZ-OD1 3.23Å; R97-D106 IonicContact NE-OD1 2.74Å; R97-D106 PolarHBondContact NE-OD1 3.44Å; R97-D106 IonicContact NH2-OD1 2.82Å; R97-D106 PolarHBondContact NH2-OD1 3.05Å; R97-E109 IonicContact CZ-OE2 3.26Å; R97-E109 VanDerWaalsContact CZ-OE2 3.26Å; R97-E109 IonicContact NH1-OE2 2.99Å; R97-E109 PolarHBondContact NH1-OE2 3.44Å; R97-E109 IonicContact NH2-OE2 2.67Å; R97-E109 PolarHBondContact NH2-OE2 3.43Å; R97-E318 IonicContact NH1-OE1 3.95Å
98	Y	97.8	Very high	98.1	Very high	153 Å²	153	65.9 Å²	65.9	60%	0.6	35%	0.345	S	S	*	.	S	Bend	trans	-77.5	-23.1	174.2	-73.8	-107.9	0	0	0	112.3	E91 F309	E91-Y98 HydrophobicContact CB-CD2 4.2Å; E91-Y98 HydrophobicContact CB-CG 4.44Å; E91-Y98 WeakPolarHBondContact O-CD2 3.23Å; E91-Y98 PolarHBondContact O-N 3.12Å; Y98-F309 HydrophobicContact CD2-CE1 4.01Å; Y98-F309 HydrophobicContact CD2-CZ 4.02Å; Y98-F309 AromaticContact CE2-CE1 3.4Å; Y98-F309 HydrophobicContact CE2-CE1 3.4Å; Y98-F309 AromaticContact CE2-CZ 3.71Å; Y98-F309 HydrophobicContact CE2-CZ 3.71Å; Y98-F309 AromaticContact CZ-CE1 3.98Å
99	Y	97.4	Very high	98.1	Very high	117 Å²	117	63.1 Å²	63.1	46%	0.459	33%	0.333	S	S	.	.	S	Bend	trans	-122.4	153.9	-175.8	-52	-44.2	0	0	0	111.8	Y89 E91 R97 N102	Y89-Y99 AromaticContact CD1-CD2 3.96Å; Y89-Y99 HydrophobicContact CD1-CD2 3.96Å; Y89-Y99 AromaticContact CD1-CE2 3.49Å; Y89-Y99 HydrophobicContact CD1-CE2 3.49Å; Y89-Y99 VanDerWaalsContact CD1-CE2 3.49Å; Y89-Y99 AromaticContact CE1-CE2 3.99Å; Y89-Y99 HydrophobicContact CE1-CE2 3.99Å; Y89-Y99 HydrophobicContact CG-CE2 4.38Å; E91-Y99 HydrophobicContact CB-CE2 4.3Å; E91-Y99 WeakPolarHBondContact OE2-CE2 3.23Å; E91-Y99 PolarHBondContact OE2-OH 2.87Å; E91-Y99 VanDerWaalsContact OE2-OH 3.13Å; R97-Y99 VanDerWaalsContact C-N 3.33Å; Y99-N102 PolarHBondContact O-ND2 3.37Å
100	G	97.7	Very high	98.1	Very high	63 Å²	63	60.5 Å²	60.5	65%	0.649	33%	0.327	S	S	*	.	S	Bend	trans	-76.5	176.2	174.1	0	0	0	0	0	114.2	K88	K88-G100 WeakPolarHBondContact CE-O 3.41Å; K88-G100 PolarHBondContact NZ-O 2.77Å
101	G	97.7	Very high	98.2	Very high	69 Å²	69	63.6 Å²	63.6	71%	0.711	34%	0.343	S	S	*	.			trans	74.2	23.8	175.5	0	0	0	0	0	115	K88	K88-G101 WeakPolarHBondContact CE-O 3.37Å
102	N	98.1	Very high	98.2	Very high	9 Å²	9	62.1 Å²	62.1	5%	0.048	34%	0.336	C	S	.	.			trans	-101.7	13.7	-175.1	-75.1	-47.6	0	0	0	114.3	K88 A90 R97 Y99 H104 I105 D106	K88-N102 WeakPolarHBondContact CE-OD1 3.47Å; K88-N102 VanDerWaalsContact NZ-CG 3.31Å; K88-N102 PolarHBondContact NZ-ND2 3.23Å; K88-N102 PolarHBondContact NZ-OD1 2.61Å; A90-N102 VanDerWaalsContact CB-OD1 3.25Å; A90-N102 WeakPolarHBondContact CB-OD1 3.49Å; R97-N102 HydrophobicContact CG-CB 3.91Å; Y99-N102 PolarHBondContact O-ND2 3.37Å; N102-H104 PolarHBondContact O-N 3.45Å; N102-I105 HydrophobicContact CB-CB 4.18Å; N102-I105 WeakPolarHBondContact O-CB 3.39Å; N102-I105 PolarHBondContact O-N 2.97Å; N102-I105 VanDerWaalsContact O-N 3.1Å; N102-D106 WeakPolarHBondContact O-CB 3.35Å; N102-D106 PolarHBondContact O-N 3.3Å
103	E	97.9	Very high	98.2	Very high	138 Å²	138	64 Å²	64	65%	0.645	34%	0.344	S	S	*	.	H	α-helix	trans	-50.5	-57.8	-178.3	-178.2	177.2	178	0	0	112.3	I105 D106 E107	E103-I105 VanDerWaalsContact C-N 3.31Å; E103-I105 PolarHBondContact O-N 2.97Å; E103-D106 PolarHBondContact O-N 3.08Å; E103-E107 WeakPolarHBondContact O-CG 3.41Å; E103-E107 PolarHBondContact O-N 3.03Å; E103-E107 VanDerWaalsContact O-N 3.12Å
104	H	98.3	Very high	98.2	Very high	125 Å²	125	69.3 Å²	69.3	58%	0.579	37%	0.368	S	S	*	.	H	α-helix	trans	-75	-20.1	179.3	-54.5	-47.5	0	0	0	114.1	N102 E107 M108	N102-H104 PolarHBondContact O-N 3.45Å; H104-E107 IonicContact CE1-OE2 3.93Å; H104-E107 IonicContact CG-OE2 3.76Å; H104-E107 IonicContact ND1-OE2 2.89Å; H104-E107 PolarHBondContact ND1-OE2 3.48Å; H104-M108 WeakPolarHBondContact O-CB 3.43Å; H104-M108 PolarHBondContact O-N 3.01Å; H104-M108 VanDerWaalsContact O-N 3.09Å
105	I	98.5	Very high	98.2	Very high	10 Å²	10	71.2 Å²	71.2	5%	0.051	37%	0.373	C	S	.	.	H	α-helix	trans	-69.7	-45	172.9	-62.6	-52.6	0	0	0	109.8	L85 K88 A90 N102 E103 E107 M108 E109 E318	L85-I105 HydrophobicContact CD2-CD1 4.49Å; L85-I105 HydrophobicContact CG-CD1 4.03Å; K88-I105 HydrophobicContact CB-CD1 3.91Å; K88-I105 HydrophobicContact CB-CG1 4.16Å; K88-I105 HydrophobicContact CG-CD1 3.93Å; K88-I105 HydrophobicContact CG-CG1 3.59Å; A90-I105 HydrophobicContact CB-CG2 3.72Å; N102-I105 HydrophobicContact CB-CB 4.18Å; N102-I105 WeakPolarHBondContact O-CB 3.39Å; N102-I105 PolarHBondContact O-N 2.97Å; N102-I105 VanDerWaalsContact O-N 3.1Å; E103-I105 VanDerWaalsContact C-N 3.31Å; E103-I105 PolarHBondContact O-N 2.97Å; I105-E107 VanDerWaalsContact C-N 3.34Å; I105-E107 PolarHBondContact O-N 3.49Å; I105-M108 PolarHBondContact O-N 3.29Å; I105-E109 PolarHBondContact O-N 3.06Å; I105-E318 HydrophobicContact CD1-CB 4.14Å; I105-E318 HydrophobicContact CD1-CG 4.08Å; I105-E318 HydrophobicContact CG2-CG 3.78Å; I105-E318 VanDerWaalsContact CG2-OE1 3.31Å; I105-E318 WeakPolarHBondContact CG2-OE1 3.48Å; I105-E318 WeakPolarHBondContact CG2-OE2 3.4Å
106	D	98.7	Very high	98.4	Very high	17 Å²	17	64.5 Å²	64.5	9%	0.091	34%	0.337	C	S	.	.	H	α-helix	trans	-64	-41.5	177.2	-71.4	0.8	0	0	0	110.6	P94 N95 R97 N102 E103 M108 E109 L110	P94-D106 HydrophobicContact CB-CB 4.07Å; N95-D106 PolarHBondContact N-OD2 3.05Å; R97-D106 IonicContact CZ-OD1 3.23Å; R97-D106 VanDerWaalsContact CZ-OD1 3.23Å; R97-D106 IonicContact NE-OD1 2.74Å; R97-D106 PolarHBondContact NE-OD1 3.44Å; R97-D106 IonicContact NH2-OD1 2.82Å; R97-D106 PolarHBondContact NH2-OD1 3.05Å; N102-D106 WeakPolarHBondContact O-CB 3.35Å; N102-D106 PolarHBondContact O-N 3.3Å; E103-D106 PolarHBondContact O-N 3.08Å; D106-M108 PolarHBondContact O-N 3.01Å; D106-E109 PolarHBondContact O-N 2.88Å; D106-L110 VanDerWaalsContact O-CB 3.25Å; D106-L110 WeakPolarHBondContact O-CB 3.47Å; D106-L110 WeakPolarHBondContact O-CD1 3.44Å; D106-L110 WeakPolarHBondContact O-CG 3.32Å; D106-L110 PolarHBondContact O-N 3.47Å
107	E	98.6	Very high	98.4	Very high	112 Å²	112	62.1 Å²	62.1	52%	0.523	32%	0.315	S	S	.	.	H	α-helix	trans	-56.1	-47.2	171.8	-70.4	177.3	151.7	0	0	112.2	E103 H104 I105 L111	E103-E107 WeakPolarHBondContact O-CG 3.41Å; E103-E107 PolarHBondContact O-N 3.03Å; E103-E107 VanDerWaalsContact O-N 3.12Å; H104-E107 IonicContact CE1-OE2 3.93Å; H104-E107 IonicContact CG-OE2 3.76Å; H104-E107 IonicContact ND1-OE2 2.89Å; H104-E107 PolarHBondContact ND1-OE2 3.48Å; I105-E107 VanDerWaalsContact C-N 3.34Å; I105-E107 PolarHBondContact O-N 3.49Å; E107-L111 VanDerWaalsContact O-CB 3.23Å; E107-L111 WeakPolarHBondContact O-CB 3.35Å; E107-L111 PolarHBondContact O-N 3.2Å
108	M	98.7	Very high	98.4	Very high	54 Å²	54	66.9 Å²	66.9	27%	0.266	34%	0.339	S	S	.	.	H	α-helix	trans	-67.8	-43.6	-179.1	-174.8	60.3	69.4	0	0	112.3	L85 H104 I105 D106 L111 C112 A322 A325	L85-M108 HydrophobicContact CD2-CB 4.34Å; L85-M108 HydrophobicContact CD2-CE 4.3Å; L85-M108 HydrophobicContact CD2-CG 3.94Å; H104-M108 WeakPolarHBondContact O-CB 3.43Å; H104-M108 PolarHBondContact O-N 3.01Å; H104-M108 VanDerWaalsContact O-N 3.09Å; I105-M108 PolarHBondContact O-N 3.29Å; D106-M108 PolarHBondContact O-N 3.01Å; M108-L111 PolarHBondContact O-N 3.04Å; M108-L111 HydrophobicContact SD-CD2 4.41Å; M108-C112 WeakPolarHBondContact O-CB 3.47Å; M108-C112 PolarHBondContact O-N 2.89Å; M108-A322 HydrophobicContact CE-CB 4.18Å; M108-A322 HydrophobicContact CG-CB 3.91Å; M108-A322 HydrophobicContact SD-CB 3.91Å; M108-A325 HydrophobicContact SD-CB 4.21Å
109	E	98.9	Very high	98.5	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-67.6	-43	179.3	-170	177.8	161.9	0	0	111.2	P94 R97 I105 D106 L111 C112 Q113 V131 Q132 I321	P94-E109 HydrophobicContact CG-CB 3.94Å; P94-E109 HydrophobicContact CG-CG 3.98Å; R97-E109 IonicContact CZ-OE2 3.26Å; R97-E109 VanDerWaalsContact CZ-OE2 3.26Å; R97-E109 IonicContact NH1-OE2 2.99Å; R97-E109 PolarHBondContact NH1-OE2 3.44Å; R97-E109 IonicContact NH2-OE2 2.67Å; R97-E109 PolarHBondContact NH2-OE2 3.43Å; I105-E109 PolarHBondContact O-N 3.06Å; D106-E109 PolarHBondContact O-N 2.88Å; E109-L111 VanDerWaalsContact C-N 3.34Å; E109-L111 PolarHBondContact O-N 3.26Å; E109-C112 WeakPolarHBondContact O-CB 3.49Å; E109-C112 PolarHBondContact O-N 2.8Å; E109-C112 VanDerWaalsContact O-N 3.16Å; E109-Q113 VanDerWaalsContact O-CG 3.28Å; E109-Q113 WeakPolarHBondContact O-CG 3.26Å; E109-Q113 PolarHBondContact O-N 3.18Å; E109-Q113 PolarHBondContact OE1-NE2 3.49Å; E109-V131 HydrophobicContact CG-CG2 3.76Å; E109-Q132 PolarHBondContact OE1-NE2 2.96Å; E109-Q132 PolarHBondContact OE2-NE2 3.44Å; E109-I321 HydrophobicContact CB-CG2 4.25Å; E109-I321 HydrophobicContact CG-CD1 4.44Å; E109-I321 HydrophobicContact CG-CG2 4.27Å
110	L	98.8	Very high	98.5	Very high	74 Å²	74	55.1 Å²	55.1	39%	0.387	30%	0.295	S	S	.	.	H	α-helix	trans	-62.4	-40.4	174.6	-71	169.1	0	0	0	111.7	P94 D106 C112 Q113 K114	P94-L110 HydrophobicContact CB-CD1 4.13Å; P94-L110 HydrophobicContact CB-CD2 3.93Å; P94-L110 HydrophobicContact CB-CG 3.8Å; P94-L110 HydrophobicContact CG-CD2 4.19Å; P94-L110 HydrophobicContact CG-CG 4.07Å; D106-L110 VanDerWaalsContact O-CB 3.25Å; D106-L110 WeakPolarHBondContact O-CB 3.47Å; D106-L110 WeakPolarHBondContact O-CD1 3.44Å; D106-L110 WeakPolarHBondContact O-CG 3.32Å; D106-L110 PolarHBondContact O-N 3.47Å; L110-C112 VanDerWaalsContact C-N 3.33Å; L110-C112 PolarHBondContact O-N 3.1Å; L110-Q113 PolarHBondContact O-N 3.03Å; L110-K114 WeakPolarHBondContact O-CB 3.45Å; L110-K114 PolarHBondContact O-N 3.37Å
111	L	98.8	Very high	98.6	Very high	64 Å²	64	55.6 Å²	55.6	34%	0.335	30%	0.299	S	S	.	.	H	α-helix	trans	-61.1	-42.9	173.1	176.6	62.9	0	0	0	111.6	E107 M108 E109 K114 R115	E107-L111 VanDerWaalsContact O-CB 3.23Å; E107-L111 WeakPolarHBondContact O-CB 3.35Å; E107-L111 PolarHBondContact O-N 3.2Å; M108-L111 PolarHBondContact O-N 3.04Å; M108-L111 HydrophobicContact SD-CD2 4.41Å; E109-L111 VanDerWaalsContact C-N 3.34Å; E109-L111 PolarHBondContact O-N 3.26Å; L111-K114 PolarHBondContact O-N 2.66Å; L111-R115 HydrophobicContact CD1-CG 4.25Å; L111-R115 WeakPolarHBondContact O-CB 3.27Å; L111-R115 WeakPolarHBondContact O-CG 3.36Å; L111-R115 PolarHBondContact O-N 3.34Å
112	C	98.9	Very high	98.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.8	-48	177.3	-170.2	0	0	0	0	111.4	M108 E109 L110 K114 R115 A116 V131 I321 I324 A325	M108-C112 WeakPolarHBondContact O-CB 3.47Å; M108-C112 PolarHBondContact O-N 2.89Å; E109-C112 WeakPolarHBondContact O-CB 3.49Å; E109-C112 PolarHBondContact O-N 2.8Å; E109-C112 VanDerWaalsContact O-N 3.16Å; L110-C112 VanDerWaalsContact C-N 3.33Å; L110-C112 PolarHBondContact O-N 3.1Å; C112-K114 PolarHBondContact O-N 2.61Å; C112-R115 PolarHBondContact O-N 3.27Å; C112-A116 WeakPolarHBondContact O-CB 3.44Å; C112-A116 PolarHBondContact O-N 3.46Å; C112-V131 HydrophobicContact CB-CG2 4.41Å; C112-I321 HydrophobicContact CB-CG2 3.74Å; C112-I321 PolarHBondContact SG-O 3.41Å; C112-I324 WeakPolarHBondContact SG-CG2 3.27Å; C112-A325 HydrophobicContact CB-CB 3.87Å
113	Q	98.9	Very high	98.6	Very high	41 Å²	41	56.5 Å²	56.5	19%	0.192	29%	0.288	C	S	.	.	H	α-helix	trans	-58.9	-47.3	176.6	-67.5	171.5	7.6	0	0	111.4	E109 L110 R115 A116 L117 V129 V131	E109-Q113 VanDerWaalsContact O-CG 3.28Å; E109-Q113 WeakPolarHBondContact O-CG 3.26Å; E109-Q113 PolarHBondContact O-N 3.18Å; E109-Q113 PolarHBondContact OE1-NE2 3.49Å; L110-Q113 PolarHBondContact O-N 3.03Å; Q113-R115 PolarHBondContact O-N 3.05Å; Q113-A116 WeakPolarHBondContact O-CB 3.43Å; Q113-A116 PolarHBondContact O-N 3.15Å; Q113-L117 PolarHBondContact O-N 3.44Å; Q113-L117 VanDerWaalsContact O-N 3.11Å; Q113-V129 HydrophobicContact CB-CG1 3.7Å; Q113-V129 HydrophobicContact CG-CG1 3.96Å; Q113-V131 HydrophobicContact CG-CG1 4.08Å; Q113-V131 HydrophobicContact CG-CG2 4.05Å
114	K	98.8	Very high	98.5	Very high	148 Å²	148	56 Å²	56	64%	0.643	29%	0.285	S	S	*	.	H	α-helix	trans	-59.2	-46.6	176.2	-179.9	176.6	179.4	173.5	0	112.1	L110 L111 C112 A116 L117 H118	L110-K114 WeakPolarHBondContact O-CB 3.45Å; L110-K114 PolarHBondContact O-N 3.37Å; L111-K114 PolarHBondContact O-N 2.66Å; C112-K114 PolarHBondContact O-N 2.61Å; K114-A116 VanDerWaalsContact C-N 3.29Å; K114-A116 PolarHBondContact O-N 3.21Å; K114-L117 PolarHBondContact O-N 2.88Å; K114-H118 WeakPolarHBondContact O-CB 2.92Å; K114-H118 PolarHBondContact O-N 3.04Å
115	R	98.8	Very high	98.4	Very high	58 Å²	58	55.9 Å²	55.9	22%	0.219	29%	0.289	C	S	.	.	H	α-helix	trans	-65.2	-33.3	177.8	-74.8	-177.1	179.7	168.7	7.8	112.2	L111 C112 Q113 H118 A119 A325 L328	L111-R115 HydrophobicContact CD1-CG 4.25Å; L111-R115 WeakPolarHBondContact O-CB 3.27Å; L111-R115 WeakPolarHBondContact O-CG 3.36Å; L111-R115 PolarHBondContact O-N 3.34Å; C112-R115 PolarHBondContact O-N 3.27Å; Q113-R115 PolarHBondContact O-N 3.05Å; R115-H118 PolarHBondContact O-N 3.05Å; R115-A119 WeakPolarHBondContact O-CB 3.35Å; R115-A119 PolarHBondContact O-N 3.32Å; R115-A325 WeakPolarHBondContact CD-O 3.26Å; R115-A325 PolarHBondContact NH1-O 3.36Å; R115-L328 HydrophobicContact CB-CB 3.87Å; R115-L328 HydrophobicContact CB-CD1 4.25Å
116	A	98.9	Very high	98.3	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-65.6	-48.3	177.6	0	0	0	0	0	110.4	C112 Q113 K114 H118 F120 V129 I282 F284 L328	C112-A116 WeakPolarHBondContact O-CB 3.44Å; C112-A116 PolarHBondContact O-N 3.46Å; Q113-A116 WeakPolarHBondContact O-CB 3.43Å; Q113-A116 PolarHBondContact O-N 3.15Å; K114-A116 VanDerWaalsContact C-N 3.29Å; K114-A116 PolarHBondContact O-N 3.21Å; A116-H118 PolarHBondContact O-N 3.3Å; A116-F120 WeakPolarHBondContact O-CD2 3.4Å; A116-V129 HydrophobicContact CB-CG1 4.33Å; A116-V129 HydrophobicContact CB-CG2 4.07Å; A116-I282 HydrophobicContact CB-CD1 4.09Å; A116-F284 HydrophobicContact CB-CE1 3.92Å; A116-F284 HydrophobicContact CB-CZ 4.06Å; A116-L328 HydrophobicContact CB-CD1 3.73Å
117	L	98.8	Very high	98.3	Very high	15 Å²	15	59.7 Å²	59.7	8%	0.079	31%	0.306	C	S	.	.	H	α-helix	trans	-61.7	-44.8	175.7	-62.2	177.4	0	0	0	111.5	Q113 K114 F120 G121 L122 E124 W127 V129 F284	Q113-L117 PolarHBondContact O-N 3.44Å; Q113-L117 VanDerWaalsContact O-N 3.11Å; K114-L117 PolarHBondContact O-N 2.88Å; L117-F120 PolarHBondContact O-N 3.04Å; L117-G121 PolarHBondContact O-N 2.85Å; L117-L122 HydrophobicContact CB-CB 4.34Å; L117-L122 HydrophobicContact CD2-CB 4.14Å; L117-L122 HydrophobicContact CD2-CD1 4.06Å; L117-L122 PolarHBondContact O-N 2.84Å; L117-E124 HydrophobicContact CD1-CB 3.84Å; L117-W127 HydrophobicContact CD2-CB 3.89Å; L117-V129 HydrophobicContact CD2-CB 4.21Å; L117-V129 HydrophobicContact CD2-CG1 4.25Å; L117-V129 HydrophobicContact CG-CG1 4.16Å; L117-F284 HydrophobicContact CD2-CD1 4.21Å; L117-F284 HydrophobicContact CD2-CE1 4.42Å
118	H	98.6	Very high	98.3	Very high	138 Å²	138	54.5 Å²	54.5	64%	0.639	28%	0.282	S	S	*	.	H	α-helix	trans	-62	-47.2	179.6	-178.5	66.2	0	0	0	113.3	K114 R115 A116 F120 G121	K114-H118 WeakPolarHBondContact O-CB 2.92Å; K114-H118 PolarHBondContact O-N 3.04Å; R115-H118 PolarHBondContact O-N 3.05Å; A116-H118 PolarHBondContact O-N 3.3Å; H118-F120 PolarHBondContact O-N 3.06Å; H118-F120 VanDerWaalsContact O-N 3.13Å; H118-G121 PolarHBondContact O-N 2.85Å
119	A	98.5	Very high	98.3	Very high	7 Å²	7	52.3 Å²	52.3	6%	0.058	27%	0.272	C	S	.	.	H	α-helix	trans	-63.5	-19.8	-177.8	0	0	0	0	0	113.6	R115 A253 L328	R115-A119 WeakPolarHBondContact O-CB 3.35Å; R115-A119 PolarHBondContact O-N 3.32Å; A119-A253 WeakPolarHBondContact O-CA 3.25Å; A119-L328 HydrophobicContact CB-CB 4.49Å; A119-L328 HydrophobicContact CB-CD2 4Å
120	F	98.7	Very high	98.3	Very high	16 Å²	16	52.3 Å²	52.3	7%	0.07	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	9.2	176.3	-71	-79.6	0	0	0	113.1	A116 L117 H118 L122 I245 G249 V252 A253 F261 L275 F284 L328	A116-F120 WeakPolarHBondContact O-CD2 3.4Å; L117-F120 PolarHBondContact O-N 3.04Å; H118-F120 PolarHBondContact O-N 3.06Å; H118-F120 VanDerWaalsContact O-N 3.13Å; F120-L122 VanDerWaalsContact C-N 3.34Å; F120-L122 HydrophobicContact CB-CD1 3.97Å; F120-L122 HydrophobicContact CB-CD2 4.39Å; F120-L122 HydrophobicContact CB-CG 3.84Å; F120-L122 WeakPolarHBondContact O-CD2 3.24Å; F120-L122 PolarHBondContact O-N 2.89Å; F120-I245 HydrophobicContact CE1-CD1 3.98Å; F120-I245 HydrophobicContact CZ-CD1 4.5Å; F120-G249 WeakPolarHBondContact CE1-O 3.38Å; F120-V252 HydrophobicContact CD1-CG1 3.92Å; F120-V252 HydrophobicContact CE1-CB 4.24Å; F120-V252 HydrophobicContact CE1-CG1 4.08Å; F120-A253 HydrophobicContact CD1-CB 4.15Å; F120-A253 HydrophobicContact CE1-CB 3.79Å; F120-A253 HydrophobicContact CZ-CB 4.05Å; F120-F261 HydrophobicContact CB-CD2 4.48Å; F120-F261 HydrophobicContact CB-CE2 3.85Å; F120-F261 HydrophobicContact CB-CZ 4.02Å; F120-F261 HydrophobicContact CD1-CD2 4.48Å; F120-F261 AromaticContact CD1-CE2 3.49Å; F120-F261 HydrophobicContact CD1-CE2 3.49Å; F120-F261 VanDerWaalsContact CD1-CE2 3.49Å; F120-F261 AromaticContact CD1-CZ 4Å; F120-F261 HydrophobicContact CD1-CZ 4Å; F120-F261 HydrophobicContact CE1-CE2 4.23Å; F120-F261 AromaticContact CG-CE2 3.83Å; F120-F261 HydrophobicContact CG-CE2 3.83Å; F120-F261 AromaticContact CG-CZ 3.96Å; F120-F261 HydrophobicContact CG-CZ 3.96Å; F120-L275 HydrophobicContact CZ-CD2 4.38Å; F120-F284 HydrophobicContact CD2-CE1 4.09Å; F120-F284 HydrophobicContact CD2-CE2 4.08Å; F120-F284 AromaticContact CD2-CZ 3.43Å; F120-F284 HydrophobicContact CD2-CZ 3.43Å; F120-F284 VanDerWaalsContact CD2-CZ 3.43Å; F120-F284 AromaticContact CE2-CE2 3.99Å; F120-F284 HydrophobicContact CE2-CE2 3.99Å; F120-F284 AromaticContact CE2-CZ 3.63Å; F120-F284 HydrophobicContact CE2-CZ 3.63Å; F120-F284 HydrophobicContact CG-CZ 4.33Å; F120-L328 HydrophobicContact CE2-CD2 4.39Å
121	G	98.2	Very high	98.3	Very high	72 Å²	72	48.9 Å²	48.9	74%	0.742	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	34	177.6	0	0	0	0	0	114.1	L117 H118	L117-G121 PolarHBondContact O-N 2.85Å; H118-G121 PolarHBondContact O-N 2.85Å
122	L	98.6	Very high	98.3	Very high	22 Å²	22	46.1 Å²	46.1	12%	0.115	24%	0.239	C	C	.	.			trans	-98.4	135.9	-173.5	-51.3	178.3	0	0	0	111.7	L117 F120 W127 F261 F284	L117-L122 HydrophobicContact CB-CB 4.34Å; L117-L122 HydrophobicContact CD2-CB 4.14Å; L117-L122 HydrophobicContact CD2-CD1 4.06Å; L117-L122 PolarHBondContact O-N 2.84Å; F120-L122 VanDerWaalsContact C-N 3.34Å; F120-L122 HydrophobicContact CB-CD1 3.97Å; F120-L122 HydrophobicContact CB-CD2 4.39Å; F120-L122 HydrophobicContact CB-CG 3.84Å; F120-L122 WeakPolarHBondContact O-CD2 3.24Å; F120-L122 PolarHBondContact O-N 2.89Å; L122-W127 HydrophobicContact CB-CB 4.09Å; L122-W127 HydrophobicContact CB-CG 4.09Å; L122-W127 HydrophobicContact CD1-CB 4.26Å; L122-W127 HydrophobicContact CD1-CD2 4.27Å; L122-W127 HydrophobicContact CD1-CG 4.08Å; L122-W127 HydrophobicContact CD2-CG 4.41Å; L122-W127 HydrophobicContact CG-CG 4.42Å; L122-F261 HydrophobicContact CD1-CD1 3.63Å; L122-F261 HydrophobicContact CD1-CE1 3.36Å; L122-F261 HydrophobicContact CD1-CG 4.39Å; L122-F261 HydrophobicContact CD1-CZ 3.92Å; L122-F261 HydrophobicContact CD2-CB 3.68Å; L122-F261 HydrophobicContact CD2-CD1 3.45Å; L122-F261 VanDerWaalsContact CD2-CD1 3.45Å; L122-F261 HydrophobicContact CD2-CD2 4.11Å; L122-F261 HydrophobicContact CD2-CE1 4.04Å; L122-F261 HydrophobicContact CD2-CG 3.49Å; L122-F261 VanDerWaalsContact CD2-CG 3.49Å; L122-F261 HydrophobicContact CG-CD1 4.18Å; L122-F261 HydrophobicContact CG-CE1 4.29Å; L122-F284 HydrophobicContact CD1-CD1 3.67Å; L122-F284 HydrophobicContact CD1-CE1 3.99Å; L122-F284 HydrophobicContact CD1-CG 4.41Å
123	N	97.6	Very high	98.3	Very high	76 Å²	76	46.2 Å²	46.2	41%	0.406	24%	0.24	S	C	.	.			trans	-74.4	130.1	169.4	-173.8	-16.8	0	0	0	110.2	D125 E126 W127	N123-D125 PolarHBondContact O-N 3.11Å; N123-D125 WeakPolarHBondContact OD1-CB 3.48Å; N123-D125 PolarHBondContact OD1-N 3.23Å; N123-E126 HydrophobicContact CB-CB 4.41Å; N123-E126 HydrophobicContact CB-CG 4.28Å; N123-E126 PolarHBondContact O-N 3.3Å; N123-E126 VanDerWaalsContact O-N 3.13Å; N123-W127 PolarHBondContact O-N 3.21Å
124	E	97	Very high	98.3	Very high	127 Å²	127	47.7 Å²	47.7	59%	0.593	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-20.2	179.7	64.6	-176	-171.1	0	0	114.7	L117 W127 K287	L117-E124 HydrophobicContact CD1-CB 3.84Å; E124-W127 CarbonylContact C-O 3.51Å; E124-K287 PolarHBondContact O-NZ 2.9Å
125	D	95	Very high	98.3	Very high	123 Å²	123	42.6 Å²	42.6	66%	0.658	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-29.9	172.6	-67	-34.2	0	0	0	112	N123 K287	N123-D125 PolarHBondContact O-N 3.11Å; N123-D125 WeakPolarHBondContact OD1-CB 3.48Å; N123-D125 PolarHBondContact OD1-N 3.23Å; D125-K287 WeakPolarHBondContact O-CB 3.09Å
126	E	96.1	Very high	98.2	Very high	103 Å²	103	40.3 Å²	40.3	48%	0.481	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-20.9	-176.9	-62.5	-175.5	175.2	0	0	113	N123 R286 K287	N123-E126 HydrophobicContact CB-CB 4.41Å; N123-E126 HydrophobicContact CB-CG 4.28Å; N123-E126 PolarHBondContact O-N 3.3Å; N123-E126 VanDerWaalsContact O-N 3.13Å; E126-R286 CarbonylContact O-C 3.56Å; E126-R286 WeakPolarHBondContact O-CA 3.3Å; E126-K287 PolarHBondContact O-N 2.92Å
127	W	98.6	Very high	98.2	Very high	4 Å²	4	43 Å²	43	2%	0.015	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	140.6	-174.8	-73.2	94.2	0	0	0	112.4	L117 L122 N123 E124 F261 V267 F284 Y285 R286 K287	L117-W127 HydrophobicContact CD2-CB 3.89Å; L122-W127 HydrophobicContact CB-CB 4.09Å; L122-W127 HydrophobicContact CB-CG 4.09Å; L122-W127 HydrophobicContact CD1-CB 4.26Å; L122-W127 HydrophobicContact CD1-CD2 4.27Å; L122-W127 HydrophobicContact CD1-CG 4.08Å; L122-W127 HydrophobicContact CD2-CG 4.41Å; L122-W127 HydrophobicContact CG-CG 4.42Å; N123-W127 PolarHBondContact O-N 3.21Å; E124-W127 CarbonylContact C-O 3.51Å; W127-F261 HydrophobicContact CD2-CD1 4.27Å; W127-F261 AromaticContact CE2-CD1 3.93Å; W127-F261 HydrophobicContact CE3-CD1 4.31Å; W127-F261 HydrophobicContact CE3-CE1 4.5Å; W127-F261 AromaticContact CH2-CD1 3.79Å; W127-F261 HydrophobicContact CH2-CD1 3.79Å; W127-F261 HydrophobicContact CH2-CE1 4.45Å; W127-F261 HydrophobicContact CZ2-CB 4.15Å; W127-F261 AromaticContact CZ2-CD1 3.68Å; W127-F261 HydrophobicContact CZ2-CD1 3.68Å; W127-F261 HydrophobicContact CZ2-CG 4.42Å; W127-F261 WeakPolarHBondContact CZ2-O 3.31Å; W127-F261 HydrophobicContact CZ3-CD1 4.1Å; W127-F261 HydrophobicContact CZ3-CE1 4.36Å; W127-V267 HydrophobicContact CH2-CG2 4.12Å; W127-V267 HydrophobicContact CZ3-CG2 4.39Å; W127-F284 HydrophobicContact CE3-CB 3.96Å; W127-F284 HydrophobicContact CZ3-CB 4.04Å; W127-Y285 WeakPolarHBondContact CA-O 3.38Å; W127-Y285 VanDerWaalsContact CE3-O 3.27Å; W127-R286 HydrophobicContact CH2-CG 3.95Å; W127-R286 HydrophobicContact CZ2-CG 4.12Å; W127-R286 HydrophobicContact CZ3-CG 4.25Å; W127-K287 WeakPolarHBondContact O-CE 3.4Å; W127-K287 PolarHBondContact O-NZ 3Å
128	G	98.5	Very high	98.2	Very high	2 Å²	2	44.8 Å²	44.8	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	171.2	162	0	0	0	0	0	110.9	F284 Y285 K287	G128-F284 WeakPolarHBondContact O-CA 3.19Å; G128-Y285 VanDerWaalsContact CA-CE2 3.46Å; G128-Y285 PolarHBondContact N-O 3.26Å; G128-Y285 PolarHBondContact O-N 2.99Å; G128-K287 VanDerWaalsContact CA-CE 3.42Å
129	V	98.8	Very high	98.3	Very high	8 Å²	8	38.2 Å²	38.2	5%	0.048	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	141.1	-176.5	65.9	0	0	0	0	110.1	Q113 A116 L117 V131 I282 I283 F284	Q113-V129 HydrophobicContact CB-CG1 3.7Å; Q113-V129 HydrophobicContact CG-CG1 3.96Å; A116-V129 HydrophobicContact CB-CG1 4.33Å; A116-V129 HydrophobicContact CB-CG2 4.07Å; L117-V129 HydrophobicContact CD2-CB 4.21Å; L117-V129 HydrophobicContact CD2-CG1 4.25Å; L117-V129 HydrophobicContact CG-CG1 4.16Å; V129-V131 HydrophobicContact CG1-CG1 4.43Å; V129-V131 HydrophobicContact CG2-CG1 4.01Å; V129-I282 HydrophobicContact CG2-CG2 3.07Å; V129-I283 CarbonylContact C-O 3.58Å; V129-I283 VanDerWaalsContact CA-O 3.3Å; V129-I283 WeakPolarHBondContact CA-O 3.25Å; V129-F284 HydrophobicContact CB-CD1 3.92Å; V129-F284 HydrophobicContact CB-CE1 4.17Å; V129-F284 HydrophobicContact CG2-CD1 3.69Å; V129-F284 HydrophobicContact CG2-CE1 3.68Å; V129-F284 HydrophobicContact CG2-CG 4.23Å; V129-F284 HydrophobicContact CG2-CZ 4.22Å
130	N	98.9	Very high	98.3	Very high	1 Å²	1	38 Å²	38	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	122.3	167.4	-171.8	-47	0	0	0	108.4	Y93 Q132 P133 I282 I283 Y285 I304 D305	Y93-N130 WeakPolarHBondContact CE1-ND2 2.97Å; Y93-N130 PolarHBondContact OH-ND2 3.38Å; N130-Q132 WeakPolarHBondContact OD1-CB 3.26Å; N130-Q132 PolarHBondContact OD1-N 3.23Å; N130-P133 WeakPolarHBondContact OD1-CD 3.46Å; N130-I282 WeakPolarHBondContact O-CA 3.29Å; N130-I283 PolarHBondContact N-O 2.96Å; N130-I283 PolarHBondContact O-N 3.16Å; N130-Y285 HydrophobicContact CB-CE1 4.41Å; N130-I304 HydrophobicContact CB-CG2 4.36Å; N130-D305 PolarHBondContact ND2-OD1 3.17Å
131	V	98.8	Very high	98.3	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.012	23%	0.227	C	C	.	.			trans	-106.6	5.5	-173.1	-59.8	0	0	0	0	113.1	E109 C112 Q113 V129 P133 I282 I321	E109-V131 HydrophobicContact CG-CG2 3.76Å; C112-V131 HydrophobicContact CB-CG2 4.41Å; Q113-V131 HydrophobicContact CG-CG1 4.08Å; Q113-V131 HydrophobicContact CG-CG2 4.05Å; V129-V131 HydrophobicContact CG1-CG1 4.43Å; V129-V131 HydrophobicContact CG2-CG1 4.01Å; V131-P133 VanDerWaalsContact C-CD 3.45Å; V131-I282 HydrophobicContact CG1-CD1 4.4Å; V131-I282 HydrophobicContact CG1-CG1 4.21Å; V131-I321 HydrophobicContact CG2-CD1 4.46Å; V131-I321 HydrophobicContact CG2-CG1 4.44Å; V131-I321 HydrophobicContact CG2-CG2 4.21Å
132	Q	98.9	Very high	98.3	Very high	5 Å²	5	36.1 Å²	36.1	2%	0.023	19%	0.192	C	C	.	.			trans	-88.1	-13.5	-177.4	-56.5	-171	5.6	0	0	116.5	G92 Y93 E109 N130 Y134 V308 Q313 P316 I321	G92-Q132 PolarHBondContact O-NE2 3.31Å; Y93-Q132 VanDerWaalsContact CD1-NE2 3.34Å; Y93-Q132 HydrophobicContact CE1-CG 4.42Å; E109-Q132 PolarHBondContact OE1-NE2 2.96Å; E109-Q132 PolarHBondContact OE2-NE2 3.44Å; N130-Q132 WeakPolarHBondContact OD1-CB 3.26Å; N130-Q132 PolarHBondContact OD1-N 3.23Å; Q132-Y134 PolarHBondContact O-N 3.05Å; Q132-V308 HydrophobicContact CB-CG1 4.12Å; Q132-Q313 PolarHBondContact O-NE2 2.77Å; Q132-P316 HydrophobicContact CB-CB 4.37Å; Q132-P316 HydrophobicContact CG-CB 4.05Å; Q132-I321 HydrophobicContact CG-CD1 4.17Å
133	P	98.9	Very high	98.3	Very high	2 Å²	2	35 Å²	35	1%	0.013	19%	0.187	C	C	.	.			trans	-60	126.9	179.5	-26.1	35.1	0	0	0	113.2	N130 V131 S135 A139 A281 I283 V308	N130-P133 WeakPolarHBondContact OD1-CD 3.46Å; V131-P133 VanDerWaalsContact C-CD 3.45Å; P133-S135 PolarHBondContact O-N 3.03Å; P133-S135 VanDerWaalsContact O-N 3.15Å; P133-A139 HydrophobicContact CB-CB 3.63Å; P133-A139 HydrophobicContact CG-CB 4.05Å; P133-A281 HydrophobicContact CB-CB 4.23Å; P133-A281 PolarHBondContact O-N 2.89Å; P133-A281 VanDerWaalsContact O-N 3.15Å; P133-I283 HydrophobicContact CG-CD1 3.62Å; P133-I283 HydrophobicContact CG-CG1 3.91Å; P133-V308 HydrophobicContact CG-CG2 4.32Å
134	Y	98.7	Very high	98.4	Very high	72 Å²	72	31.4 Å²	31.4	28%	0.282	17%	0.168	S	C	.	.	S	Bend	trans	-63.7	-25.6	-174.7	-58.5	-39.5	0	0	0	113.8	Q132 Q313 G315 H317	Q132-Y134 PolarHBondContact O-N 3.05Å; Y134-Q313 HydrophobicContact CD2-CG 3.97Å; Y134-Q313 VanDerWaalsContact CD2-OE1 3.29Å; Y134-Q313 HydrophobicContact CE2-CB 3.79Å; Y134-Q313 HydrophobicContact CE2-CG 3.63Å; Y134-G315 PolarHBondContact OH-O 3.33Å; Y134-H317 AromaticContact CD1-CD2 3.91Å; Y134-H317 AromaticContact CD1-CE1 3.84Å; Y134-H317 AromaticContact CD1-CG 3.87Å; Y134-H317 AromaticContact CD1-ND1 3.83Å; Y134-H317 AromaticContact CD1-NE2 3.89Å; Y134-H317 AromaticContact CE1-CD2 3.42Å; Y134-H317 VanDerWaalsContact CE1-CD2 3.42Å; Y134-H317 WeakPolarHBondContact CE1-CD2 3.46Å; Y134-H317 AromaticContact CE1-CE1 3.99Å; Y134-H317 AromaticContact CE1-CG 3.82Å; Y134-H317 AromaticContact CE1-NE2 3.55Å; Y134-H317 AromaticContact CZ-NE2 3.94Å
135	S	98.7	Very high	98.5	Very high	41 Å²	41	27.9 Å²	27.9	29%	0.287	16%	0.155	S	C	.	.	S	Bend	trans	-165.8	179.5	175.4	-164.3	0	0	0	0	111	P133 S137 P138 A139 A281	P133-S135 PolarHBondContact O-N 3.03Å; P133-S135 VanDerWaalsContact O-N 3.15Å; S135-S137 PolarHBondContact O-N 3.05Å; S135-P138 WeakPolarHBondContact O-CD 3.43Å; S135-A139 WeakPolarHBondContact O-CB 3.21Å; S135-A139 PolarHBondContact O-N 2.61Å; S135-A281 VanDerWaalsContact O-CB 3.29Å; S135-A281 WeakPolarHBondContact O-CB 3.44Å
136	G	98.7	Very high	98.6	Very high	10 Å²	10	22.9 Å²	22.9	10%	0.103	13%	0.13	C	C	.	.	H	α-helix	trans	-63.4	-40.8	-176.1	0	0	0	0	0	113.8	A139 N140	G136-A139 WeakPolarHBondContact O-CB 3.47Å; G136-A139 PolarHBondContact O-N 3.22Å; G136-N140 PolarHBondContact O-N 2.92Å
137	S	98.8	Very high	98.7	Very high	58 Å²	58	18.4 Å²	18.4	41%	0.406	11%	0.11	S	C	.	.	H	α-helix	trans	-65.3	-48.7	180	-51.3	0	0	0	0	112.9	S135 A139 N140 F141 T166	S135-S137 PolarHBondContact O-N 3.05Å; S137-A139 VanDerWaalsContact C-N 3.33Å; S137-A139 PolarHBondContact O-N 2.91Å; S137-N140 PolarHBondContact O-N 2.79Å; S137-F141 WeakPolarHBondContact O-CB 3.22Å; S137-F141 PolarHBondContact O-N 3.24Å; S137-T166 VanDerWaalsContact CB-CG2 3.44Å; S137-T166 VanDerWaalsContact OG-CG2 3.25Å; S137-T166 WeakPolarHBondContact OG-CG2 3.17Å
138	P	98.8	Very high	98.6	Very high	52 Å²	52	19.1 Å²	19.1	34%	0.338	11%	0.114	S	C	.	.	H	α-helix	trans	-58.9	-38.7	170	-25.9	34.5	0	0	0	113.9	S135 N140 F141 A142	S135-P138 WeakPolarHBondContact O-CD 3.43Å; P138-N140 PolarHBondContact O-N 3.35Å; P138-F141 PolarHBondContact O-N 3.32Å; P138-A142 WeakPolarHBondContact O-CB 3.29Å; P138-A142 PolarHBondContact O-N 3.5Å
139	A	98.9	Very high	98.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.8	-48.4	178.4	0	0	0	0	0	112.1	P133 S135 G136 S137 F141 A142 V143 A281 I283	P133-A139 HydrophobicContact CB-CB 3.63Å; P133-A139 HydrophobicContact CG-CB 4.05Å; S135-A139 WeakPolarHBondContact O-CB 3.21Å; S135-A139 PolarHBondContact O-N 2.61Å; G136-A139 WeakPolarHBondContact O-CB 3.47Å; G136-A139 PolarHBondContact O-N 3.22Å; S137-A139 VanDerWaalsContact C-N 3.33Å; S137-A139 PolarHBondContact O-N 2.91Å; A139-F141 PolarHBondContact O-N 2.64Å; A139-A142 PolarHBondContact O-N 2.81Å; A139-V143 PolarHBondContact O-N 3.33Å; A139-A281 HydrophobicContact CB-CB 3.7Å; A139-I283 HydrophobicContact CB-CD1 4.22Å; A139-I283 HydrophobicContact CB-CG1 3.9Å
140	N	98.9	Very high	98.2	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.016	16%	0.157	C	C	.	.	H	α-helix	trans	-61.5	-44.9	176	-73.1	-12.4	0	0	0	111.2	G136 S137 P138 A142 V143 Y144 T166 M242 D244 T268	G136-N140 PolarHBondContact O-N 2.92Å; S137-N140 PolarHBondContact O-N 2.79Å; P138-N140 PolarHBondContact O-N 3.35Å; N140-A142 VanDerWaalsContact C-N 3.33Å; N140-A142 PolarHBondContact O-N 2.84Å; N140-V143 PolarHBondContact O-N 3.41Å; N140-Y144 HydrophobicContact CB-CE2 4.06Å; N140-Y144 WeakPolarHBondContact O-CD1 3.38Å; N140-Y144 VanDerWaalsContact O-CD2 3.24Å; N140-Y144 WeakPolarHBondContact O-CD2 3.42Å; N140-Y144 WeakPolarHBondContact O-CE2 3.22Å; N140-Y144 PolarHBondContact O-N 2.8Å; N140-Y144 VanDerWaalsContact O-N 3.13Å; N140-T166 PolarHBondContact ND2-OG1 2.81Å; N140-M242 HydrophobicContact CB-CE 4Å; N140-M242 WeakPolarHBondContact OD1-CE 3.47Å; N140-D244 PolarHBondContact ND2-OD2 2.91Å; N140-T268 VanDerWaalsContact OD1-CB 3.28Å; N140-T268 WeakPolarHBondContact OD1-CB 3.28Å; N140-T268 PolarHBondContact OD1-OG1 3.31Å
141	F	98.8	Very high	98.2	Very high	44 Å²	44	30.9 Å²	30.9	19%	0.193	18%	0.184	C	C	.	.	H	α-helix	trans	-63.2	-38.1	179.3	-161.3	-95	0	0	0	112.5	S137 P138 A139 V143 Y144 T145 A178 F182 F183 L312	S137-F141 WeakPolarHBondContact O-CB 3.22Å; S137-F141 PolarHBondContact O-N 3.24Å; P138-F141 PolarHBondContact O-N 3.32Å; A139-F141 PolarHBondContact O-N 2.64Å; F141-V143 PolarHBondContact O-N 2.84Å; F141-Y144 PolarHBondContact O-N 2.97Å; F141-T145 PolarHBondContact O-N 2.77Å; F141-T145 PolarHBondContact O-OG1 3.01Å; F141-T145 VanDerWaalsContact O-OG1 3.11Å; F141-A178 HydrophobicContact CE2-CB 4.13Å; F141-F182 HydrophobicContact CE2-CB 4.41Å; F141-F182 AromaticContact CE2-CD2 3.76Å; F141-F182 HydrophobicContact CE2-CD2 3.76Å; F141-F182 HydrophobicContact CE2-CG 4.45Å; F141-F182 HydrophobicContact CZ-CB 4.22Å; F141-F182 AromaticContact CZ-CD2 3.52Å; F141-F182 HydrophobicContact CZ-CD2 3.52Å; F141-F182 HydrophobicContact CZ-CE2 4.15Å; F141-F182 HydrophobicContact CZ-CG 4.05Å; F141-F183 HydrophobicContact CD2-CE2 4.04Å; F141-F183 HydrophobicContact CE2-CD2 4.39Å; F141-F183 AromaticContact CE2-CE2 3.62Å; F141-F183 HydrophobicContact CE2-CE2 3.62Å; F141-F183 HydrophobicContact CE2-CZ 4.5Å; F141-F183 AromaticContact CZ-CE2 4Å; F141-F183 HydrophobicContact CZ-CE2 4Å; F141-F183 HydrophobicContact CZ-CZ 4.49Å; F141-L312 HydrophobicContact CD1-CD1 3.92Å; F141-L312 HydrophobicContact CD1-CD2 4.03Å; F141-L312 HydrophobicContact CE1-CD2 3.99Å
142	A	98.8	Very high	98.2	Very high	3 Å²	3	31.4 Å²	31.4	3%	0.025	19%	0.19	C	C	.	.	H	α-helix	trans	-62.6	-40.6	175.3	0	0	0	0	0	112.4	P138 A139 N140 Y144 T145 A146 I283 A307 V308 L312	P138-A142 WeakPolarHBondContact O-CB 3.29Å; P138-A142 PolarHBondContact O-N 3.5Å; A139-A142 PolarHBondContact O-N 2.81Å; N140-A142 VanDerWaalsContact C-N 3.33Å; N140-A142 PolarHBondContact O-N 2.84Å; A142-Y144 VanDerWaalsContact C-N 3.33Å; A142-Y144 PolarHBondContact O-N 3.27Å; A142-T145 PolarHBondContact O-N 3.11Å; A142-A146 VanDerWaalsContact O-CB 3.25Å; A142-A146 WeakPolarHBondContact O-CB 3.45Å; A142-A146 PolarHBondContact O-N 3.08Å; A142-I283 HydrophobicContact CB-CD1 4.19Å; A142-A307 WeakPolarHBondContact O-CB 3.3Å; A142-V308 HydrophobicContact CB-CG2 3.77Å; A142-L312 VanDerWaalsContact CA-CD1 3.47Å; A142-L312 HydrophobicContact CB-CD1 3.79Å
143	V	98.8	Very high	98.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.9	-43.5	173.4	173	0	0	0	0	111.1	A139 N140 F141 A146 L147 I213 M242 I266 T268 I283	A139-V143 PolarHBondContact O-N 3.33Å; N140-V143 PolarHBondContact O-N 3.41Å; F141-V143 PolarHBondContact O-N 2.84Å; V143-A146 PolarHBondContact O-N 3.41Å; V143-L147 HydrophobicContact CG1-CD1 4.29Å; V143-L147 WeakPolarHBondContact O-CB 3.42Å; V143-L147 PolarHBondContact O-N 2.95Å; V143-I213 HydrophobicContact CG1-CD1 4.26Å; V143-M242 HydrophobicContact CB-SD 4.21Å; V143-M242 HydrophobicContact CG1-SD 3.69Å; V143-I266 HydrophobicContact CG1-CD1 3.74Å; V143-I266 HydrophobicContact CG1-CG2 4.12Å; V143-I266 HydrophobicContact CG2-CG2 3.92Å; V143-T268 HydrophobicContact CG2-CG2 3.88Å; V143-I283 HydrophobicContact CG2-CD1 4.11Å; V143-I283 HydrophobicContact CG2-CG1 4.22Å; V143-I283 HydrophobicContact CG2-CG2 3.65Å
144	Y	98.7	Very high	98.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.9	-44.7	178.7	-51	-29.9	0	0	0	111.5	N140 F141 A142 A146 L147 L148 L154 T166 T179 F183 I213 I215 M242	N140-Y144 HydrophobicContact CB-CE2 4.06Å; N140-Y144 WeakPolarHBondContact O-CD1 3.38Å; N140-Y144 VanDerWaalsContact O-CD2 3.24Å; N140-Y144 WeakPolarHBondContact O-CD2 3.42Å; N140-Y144 WeakPolarHBondContact O-CE2 3.22Å; N140-Y144 PolarHBondContact O-N 2.8Å; N140-Y144 VanDerWaalsContact O-N 3.13Å; F141-Y144 PolarHBondContact O-N 2.97Å; A142-Y144 VanDerWaalsContact C-N 3.33Å; A142-Y144 PolarHBondContact O-N 3.27Å; Y144-A146 VanDerWaalsContact C-N 3.3Å; Y144-A146 PolarHBondContact O-N 3.3Å; Y144-L147 PolarHBondContact O-N 3.34Å; Y144-L148 HydrophobicContact CD1-CD1 4.29Å; Y144-L148 HydrophobicContact CG-CD1 4.33Å; Y144-L148 WeakPolarHBondContact O-CA 3.33Å; Y144-L148 WeakPolarHBondContact O-CB 3.44Å; Y144-L148 PolarHBondContact O-N 2.66Å; Y144-L154 HydrophobicContact CD1-CD2 4.48Å; Y144-L154 HydrophobicContact CG-CD2 4.41Å; Y144-T166 WeakPolarHBondContact CE2-O 3.45Å; Y144-T166 PolarHBondContact OH-O 3.5Å; Y144-T179 HydrophobicContact CD2-CG2 4.05Å; Y144-T179 HydrophobicContact CE2-CG2 3.77Å; Y144-F183 VanDerWaalsContact CB-CE2 3.4Å; Y144-F183 HydrophobicContact CD2-CD2 4.22Å; Y144-F183 HydrophobicContact CD2-CE2 4Å; Y144-F183 HydrophobicContact CG-CD2 4.46Å; Y144-F183 HydrophobicContact CG-CE2 4.18Å; Y144-I213 HydrophobicContact CD1-CD1 4.19Å; Y144-I215 HydrophobicContact CE1-CD1 3.95Å; Y144-I215 WeakPolarHBondContact OH-CD1 3.45Å; Y144-M242 HydrophobicContact CD1-SD 4.35Å; Y144-M242 HydrophobicContact CE1-CE 3.97Å; Y144-M242 HydrophobicContact CE1-SD 3.6Å; Y144-M242 VanDerWaalsContact CE1-SD 3.6Å
145	T	98.6	Very high	98.2	Very high	52 Å²	52	33.2 Å²	33.2	32%	0.319	20%	0.196	S	C	.	.	H	α-helix	trans	-58.8	-43.4	175.1	-63	0	0	0	0	111.3	F141 A142 L147 A307 L312	F141-T145 PolarHBondContact O-N 2.77Å; F141-T145 PolarHBondContact O-OG1 3.01Å; F141-T145 VanDerWaalsContact O-OG1 3.11Å; A142-T145 PolarHBondContact O-N 3.11Å; T145-L147 PolarHBondContact O-N 2.7Å; T145-A307 HydrophobicContact CG2-CB 4.2Å; T145-L312 HydrophobicContact CG2-CD1 4.48Å
146	A	98.4	Very high	98.2	Very high	18 Å²	18	31.4 Å²	31.4	15%	0.149	18%	0.183	C	C	.	.	H	α-helix	trans	-62.6	-38.8	178.8	0	0	0	0	0	113.4	A142 V143 Y144 K303 I304 A307	A142-A146 VanDerWaalsContact O-CB 3.25Å; A142-A146 WeakPolarHBondContact O-CB 3.45Å; A142-A146 PolarHBondContact O-N 3.08Å; V143-A146 PolarHBondContact O-N 3.41Å; Y144-A146 VanDerWaalsContact C-N 3.3Å; Y144-A146 PolarHBondContact O-N 3.3Å; A146-K303 HydrophobicContact CB-CB 4.05Å; A146-K303 VanDerWaalsContact CB-O 3.31Å; A146-K303 WeakPolarHBondContact CB-O 3.48Å; A146-I304 HydrophobicContact CB-CG1 4.09Å; A146-A307 HydrophobicContact CB-CB 3.71Å
147	L	97.7	Very high	98.2	Very high	10 Å²	10	31 Å²	31	5%	0.052	18%	0.179	C	C	.	.	H	α-helix	trans	-113.7	-28.3	-166.2	-62.6	-166.5	0	0	0	115.4	V143 Y144 T145 K212 I213 Y240 I266 F300 K303	V143-L147 HydrophobicContact CG1-CD1 4.29Å; V143-L147 WeakPolarHBondContact O-CB 3.42Å; V143-L147 PolarHBondContact O-N 2.95Å; Y144-L147 PolarHBondContact O-N 3.34Å; T145-L147 PolarHBondContact O-N 2.7Å; L147-K212 WeakPolarHBondContact O-CD 3.36Å; L147-K212 WeakPolarHBondContact O-CE 3.24Å; L147-K212 PolarHBondContact O-NZ 2.78Å; L147-I213 HydrophobicContact CB-CD1 4.06Å; L147-I213 HydrophobicContact CD1-CD1 4.15Å; L147-Y240 HydrophobicContact CD1-CD2 3.98Å; L147-Y240 HydrophobicContact CD1-CE2 4.4Å; L147-I266 HydrophobicContact CD1-CD1 3.32Å; L147-I266 HydrophobicContact CG-CD1 4.32Å; L147-F300 HydrophobicContact CD1-CD1 4.27Å; L147-F300 HydrophobicContact CD1-CE1 3.92Å; L147-F300 HydrophobicContact CD2-CD1 3.8Å; L147-F300 HydrophobicContact CD2-CE1 3.98Å; L147-K303 HydrophobicContact CD2-CB 4.49Å; L147-K303 HydrophobicContact CD2-CD 4.16Å
148	L	97.6	Very high	98	Very high	18 Å²	18	29.2 Å²	29.2	9%	0.094	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-45.2	-175	-61.6	-175.6	0	0	0	111.9	Y144 L154 F183 K212 I213	Y144-L148 HydrophobicContact CD1-CD1 4.29Å; Y144-L148 HydrophobicContact CG-CD1 4.33Å; Y144-L148 WeakPolarHBondContact O-CA 3.33Å; Y144-L148 WeakPolarHBondContact O-CB 3.44Å; Y144-L148 PolarHBondContact O-N 2.66Å; L148-L154 HydrophobicContact CD1-CB 3.92Å; L148-L154 HydrophobicContact CD1-CD2 3.49Å; L148-L154 VanDerWaalsContact CD1-CD2 3.49Å; L148-L154 HydrophobicContact CD1-CG 4.32Å; L148-F183 HydrophobicContact CB-CD1 3.75Å; L148-F183 HydrophobicContact CB-CE1 3.81Å; L148-F183 HydrophobicContact CD1-CD1 3.9Å; L148-F183 HydrophobicContact CD1-CE1 4.39Å; L148-F183 HydrophobicContact CD1-CG 4.2Å; L148-F183 HydrophobicContact CG-CD1 4.47Å; L148-K212 HydrophobicContact CD2-CB 3.57Å; L148-K212 HydrophobicContact CD2-CD 3.96Å; L148-K212 HydrophobicContact CD2-CG 3.9Å; L148-I213 HydrophobicContact CD1-CD1 4.21Å; L148-I213 HydrophobicContact CD2-CB 4.29Å; L148-I213 HydrophobicContact CD2-CD1 3.82Å; L148-I213 HydrophobicContact CD2-CG1 3.78Å; L148-I213 HydrophobicContact CG-CD1 3.83Å; L148-I213 HydrophobicContact CG-CG1 4.35Å
149	G	91.4	Very high	97.8	Very high	25 Å²	25	28.8 Å²	28.8	26%	0.258	16%	0.159	S	C	.	.			trans	66.3	171.5	-162.2	0	0	0	0	0	112.3	H151 G152 F183	G149-H151 PolarHBondContact O-N 3.23Å; G149-G152 PolarHBondContact O-N 3.4Å; G149-G152 VanDerWaalsContact O-N 3.08Å; G149-F183 WeakPolarHBondContact O-CD1 3.1Å; G149-F183 WeakPolarHBondContact O-CE1 3.41Å
150	P	97	Very high	97.4	Very high	111 Å²	111	30.1 Å²	30.1	72%	0.721	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	136.9	178.7	-26.6	35.1	0	0	0	112.5	G152	P150-G152 PolarHBondContact O-N 3.35Å; P150-G152 VanDerWaalsContact O-N 3.13Å
151	H	98.4	Very high	97.3	Very high	122 Å²	122	30.9 Å²	30.9	57%	0.565	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.7	6.4	-177.2	-50.1	-69.4	0	0	0	116.1	G149 F182 E184	G149-H151 PolarHBondContact O-N 3.23Å; H151-F182 PolarHBondContact N-O 3.46Å; H151-E184 HydrophobicContact CB-CG 4.34Å; H151-E184 IonicContact ND1-OE1 3.39Å; H151-E184 PolarHBondContact ND1-OE1 2.79Å
152	G	98.3	Very high	97.1	Very high	14 Å²	14	28.9 Å²	28.9	14%	0.144	16%	0.164	C	C	.	.			trans	-60.7	148.2	172	0	0	0	0	0	111.4	G149 P150 F183 E184	G149-G152 PolarHBondContact O-N 3.4Å; G149-G152 VanDerWaalsContact O-N 3.08Å; P150-G152 PolarHBondContact O-N 3.35Å; P150-G152 VanDerWaalsContact O-N 3.13Å; G152-F183 WeakPolarHBondContact O-CB 3.48Å; G152-E184 PolarHBondContact O-N 2.89Å
153	R	98.7	Very high	97	Very high	117 Å²	117	29 Å²	29	44%	0.442	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	134.4	-170.7	-66.7	-176.6	-172.6	172.8	1.9	112.3	E184 F209 K212 I213	R153-E184 CarbonylContact C-O 3.58Å; R153-E184 VanDerWaalsContact CA-O 3.28Å; R153-E184 WeakPolarHBondContact CA-O 3.36Å; R153-E184 HydrophobicContact CG-CB 4.17Å; R153-F209 HydrophobicContact CB-CD1 4.32Å; R153-F209 HydrophobicContact CB-CE1 3.69Å; R153-F209 HydrophobicContact CB-CZ 3.97Å; R153-F209 WeakPolarHBondContact CD-O 3.14Å; R153-F209 HydrophobicContact CG-CE1 4.1Å; R153-F209 HydrophobicContact CG-CE2 4.36Å; R153-F209 HydrophobicContact CG-CZ 3.87Å; R153-F209 PolarHBondContact NH1-O 3.41Å; R153-K212 PolarHBondContact O-N 2.74Å; R153-I213 PolarHBondContact O-N 3.32Å
154	L	98.8	Very high	96.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	154.9	173.2	67.4	99.9	0	0	0	112.6	Y144 L148 H167 T179 F183 E184 S185 L186 F209 I213 I215	Y144-L154 HydrophobicContact CD1-CD2 4.48Å; Y144-L154 HydrophobicContact CG-CD2 4.41Å; L148-L154 HydrophobicContact CD1-CB 3.92Å; L148-L154 HydrophobicContact CD1-CD2 3.49Å; L148-L154 VanDerWaalsContact CD1-CD2 3.49Å; L148-L154 HydrophobicContact CD1-CG 4.32Å; L154-H167 WeakPolarHBondContact CD1-O 3.22Å; L154-T179 HydrophobicContact CD1-CG2 3.95Å; L154-T179 HydrophobicContact CD2-CG2 3.58Å; L154-T179 HydrophobicContact CG-CG2 4.35Å; L154-F183 HydrophobicContact CD2-CB 3.7Å; L154-F183 HydrophobicContact CD2-CD2 4.37Å; L154-F183 HydrophobicContact CD2-CG 4.12Å; L154-E184 PolarHBondContact N-O 2.85Å; L154-S185 WeakPolarHBondContact O-CA 3.3Å; L154-L186 PolarHBondContact O-N 3.17Å; L154-F209 WeakPolarHBondContact O-CE1 3.2Å; L154-I213 CarbonylContact C-O 3.47Å; L154-I213 VanDerWaalsContact CA-O 3.23Å; L154-I213 WeakPolarHBondContact CA-O 3.5Å; L154-I213 HydrophobicContact CB-CB 4.32Å; L154-I215 HydrophobicContact CD1-CD1 3.92Å
155	M	98.9	Very high	96.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	135.9	172.5	-67.6	-177.8	61.9	0	0	111.1	L186 Y188 R205 A206 F209 P211 I213 I214 I215	M155-L186 VanDerWaalsContact CA-O 3.27Å; M155-L186 WeakPolarHBondContact CA-O 3.46Å; M155-L186 WeakPolarHBondContact CB-O 3.35Å; M155-L186 HydrophobicContact CG-CB 4.27Å; M155-L186 VanDerWaalsContact CG-O 3.27Å; M155-L186 WeakPolarHBondContact CG-O 3.35Å; M155-Y188 HydrophobicContact CB-CD1 4.35Å; M155-R205 HydrophobicContact CE-CB 3.71Å; M155-A206 VanDerWaalsContact SD-CA 3.6Å; M155-A206 HydrophobicContact SD-CB 3.9Å; M155-F209 HydrophobicContact CG-CD1 3.76Å; M155-F209 HydrophobicContact CG-CE1 4.22Å; M155-F209 HydrophobicContact SD-CB 4.43Å; M155-F209 HydrophobicContact SD-CD1 4.14Å; M155-P211 HydrophobicContact CB-CB 4.48Å; M155-P211 HydrophobicContact CG-CB 3.91Å; M155-P211 HydrophobicContact CG-CG 3.97Å; M155-P211 HydrophobicContact SD-CB 4.32Å; M155-P211 HydrophobicContact SD-CG 3.72Å; M155-I213 PolarHBondContact N-O 3Å; M155-I214 HydrophobicContact CB-CG1 4.49Å; M155-I215 PolarHBondContact O-N 3.3Å
156	G	98.7	Very high	96.9	Very high	2 Å²	2	33.6 Å²	33.6	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	168.1	175.2	0	0	0	0	0	111	P187 Y188	G156-P187 CarbonylContact O-C 3.19Å; G156-P187 VanDerWaalsContact O-CA 3.25Å; G156-P187 WeakPolarHBondContact O-CA 3.44Å; G156-Y188 VanDerWaalsContact C-CD1 3.43Å; G156-Y188 VanDerWaalsContact O-CD1 3.29Å; G156-Y188 WeakPolarHBondContact O-CD1 3.06Å; G156-Y188 PolarHBondContact O-N 2.89Å
157	L	98.2	Very high	96.9	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	138.1	174.5	-177.3	60	0	0	0	109.3	D161 G163 Y188 V190 I197 V218	L157-D161 HydrophobicContact CD1-CB 3.91Å; L157-D161 WeakPolarHBondContact CD2-O 3.25Å; L157-D161 HydrophobicContact CG-CB 4.25Å; L157-G163 WeakPolarHBondContact O-CA 3.5Å; L157-Y188 HydrophobicContact CB-CD2 4.23Å; L157-Y188 HydrophobicContact CB-CE2 3.53Å; L157-Y188 HydrophobicContact CD1-CD2 3.73Å; L157-Y188 HydrophobicContact CD1-CE2 3.61Å; L157-Y188 HydrophobicContact CG-CE2 4.11Å; L157-Y188 VanDerWaalsContact N-CE1 3.32Å; L157-V190 HydrophobicContact CD1-CG1 4.16Å; L157-I197 HydrophobicContact CD1-CG1 4.44Å; L157-V218 HydrophobicContact CD2-CG1 3.66Å
158	D	95.8	Very high	96.9	Very high	21 Å²	21	32.8 Å²	32.8	11%	0.112	18%	0.181	C	C	.	.			trans	-57	141.4	177.1	-154.3	-0.3	0	0	0	110.7	P160 D161 G162 G163 P187 Y188 K189	D158-P160 VanDerWaalsContact C-CD 3.46Å; D158-P160 VanDerWaalsContact CG-CD 3.47Å; D158-P160 VanDerWaalsContact OD1-CD 3.31Å; D158-P160 WeakPolarHBondContact OD1-CD 3.5Å; D158-D161 HydrophobicContact CB-CB 4.1Å; D158-D161 CarbonylContact O-C 3.53Å; D158-D161 PolarHBondContact O-N 2.97Å; D158-G162 PolarHBondContact O-N 3.4Å; D158-G163 PolarHBondContact O-N 2.86Å; D158-P187 HydrophobicContact CB-CB 3.71Å; D158-Y188 PolarHBondContact N-O 3.47Å; D158-K189 HydrophobicContact CB-CG 4.36Å; D158-K189 WeakPolarHBondContact OD2-CE 3.47Å; D158-K189 IonicContact OD2-NZ 2.77Å; D158-K189 PolarHBondContact OD2-NZ 3.46Å
159	L	93.5	Very high	96.9	Very high	43 Å²	43	33.1 Å²	33.1	23%	0.225	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-58.7	-44.1	-176.8	-177.2	66.7	0	0	0	113	D161 G162 L165 F169	L159-D161 PolarHBondContact O-N 3.47Å; L159-G162 PolarHBondContact O-N 3.34Å; L159-L165 HydrophobicContact CD1-CG 4.32Å; L159-L165 HydrophobicContact CD2-CD2 3.68Å; L159-L165 HydrophobicContact CD2-CG 4.28Å; L159-F169 HydrophobicContact CB-CD2 3.66Å; L159-F169 HydrophobicContact CB-CE2 4.01Å; L159-F169 HydrophobicContact CB-CG 4.19Å; L159-F169 HydrophobicContact CD2-CB 4.43Å; L159-F169 HydrophobicContact CD2-CD1 3.66Å; L159-F169 HydrophobicContact CD2-CD2 3.79Å; L159-F169 HydrophobicContact CD2-CE1 3.76Å; L159-F169 HydrophobicContact CD2-CE2 3.89Å; L159-F169 HydrophobicContact CD2-CG 3.69Å; L159-F169 HydrophobicContact CD2-CZ 3.88Å; L159-F169 HydrophobicContact CG-CD2 4.4Å
160	P	92.3	Very high	97.1	Very high	28 Å²	28	36.1 Å²	36.1	18%	0.182	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-66.3	-24	176.5	-12.9	27.5	0	0	0	113.3	D158 G162 A400 V407	D158-P160 VanDerWaalsContact C-CD 3.46Å; D158-P160 VanDerWaalsContact CG-CD 3.47Å; D158-P160 VanDerWaalsContact OD1-CD 3.31Å; D158-P160 WeakPolarHBondContact OD1-CD 3.5Å; P160-G162 VanDerWaalsContact C-N 3.27Å; P160-G162 PolarHBondContact O-N 3.22Å; P160-A400 HydrophobicContact CB-CB 4.11Å; P160-V407 HydrophobicContact CB-CG1 3.95Å; P160-V407 HydrophobicContact CG-CG1 3.58Å
161	D	94.8	Very high	96.9	Very high	19 Å²	19	34 Å²	34	10%	0.102	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-89.3	5.6	-178	-68.1	0.5	0	0	0	112.1	L157 D158 L159 K189 V190	L157-D161 HydrophobicContact CD1-CB 3.91Å; L157-D161 WeakPolarHBondContact CD2-O 3.25Å; L157-D161 HydrophobicContact CG-CB 4.25Å; D158-D161 HydrophobicContact CB-CB 4.1Å; D158-D161 CarbonylContact O-C 3.53Å; D158-D161 PolarHBondContact O-N 2.97Å; L159-D161 PolarHBondContact O-N 3.47Å; D161-K189 WeakPolarHBondContact OD2-CA 3.37Å; D161-K189 WeakPolarHBondContact OD2-CB 3.49Å; D161-K189 WeakPolarHBondContact OD2-CG 3.36Å; D161-V190 HydrophobicContact CB-CG1 4.22Å; D161-V190 HydrophobicContact CB-CG2 3.89Å; D161-V190 PolarHBondContact OD2-N 3.16Å; D161-V190 VanDerWaalsContact OD2-N 3.08Å
162	G	95.4	Very high	96.5	Very high	2 Å²	2	37.6 Å²	37.6	2%	0.021	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.6	6.9	176.2	0	0	0	0	0	115.5	D158 L159 P160 S219 C220	D158-G162 PolarHBondContact O-N 3.4Å; L159-G162 PolarHBondContact O-N 3.34Å; P160-G162 VanDerWaalsContact C-N 3.27Å; P160-G162 PolarHBondContact O-N 3.22Å; G162-S219 PolarHBondContact O-N 3.32Å; G162-C220 VanDerWaalsContact CA-O 3.24Å; G162-C220 WeakPolarHBondContact CA-O 3.19Å; G162-C220 PolarHBondContact O-N 3.3Å
163	G	96.8	Very high	96.3	Very high	4 Å²	4	46.3 Å²	46.3	4%	0.041	22%	0.222	C	C	.	.			trans	-66.8	-175.9	173.1	0	0	0	0	0	113.9	L157 D158	L157-G163 WeakPolarHBondContact O-CA 3.5Å; D158-G163 PolarHBondContact O-N 2.86Å
164	H	97.9	Very high	96.1	Very high	55 Å²	55	47.3 Å²	47.3	26%	0.255	23%	0.229	S	C	.	.			trans	-119.9	150.6	174.8	-170.4	-111.8	0	0	0	111.2	T166 H167 S219	H164-T166 VanDerWaalsContact CE1-CG2 3.48Å; H164-T166 WeakPolarHBondContact CE1-CG2 3.32Å; H164-T166 WeakPolarHBondContact ND1-CG2 3.23Å; H164-T166 PolarHBondContact ND1-N 3.32Å; H164-T166 PolarHBondContact ND1-OG1 3.12Å; H164-T166 PolarHBondContact O-N 3.48Å; H164-H167 PolarHBondContact N-ND1 2.95Å; H164-H167 WeakPolarHBondContact O-CB 3.23Å; H164-H167 PolarHBondContact O-N 2.87Å; H164-S219 WeakPolarHBondContact CB-OG 3.42Å; H164-S219 PolarHBondContact CD2-OG 3.48Å
165	L	97.5	Very high	96	Very high	82 Å²	82	51.3 Å²	51.3	43%	0.429	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-51.1	-35.2	179.3	-76.7	166.4	0	0	0	113	L159 H167 G168 F169 S177	L159-L165 HydrophobicContact CD1-CG 4.32Å; L159-L165 HydrophobicContact CD2-CD2 3.68Å; L159-L165 HydrophobicContact CD2-CG 4.28Å; L165-H167 PolarHBondContact O-N 3.23Å; L165-G168 PolarHBondContact O-N 2.88Å; L165-F169 HydrophobicContact CD2-CB 4.17Å; L165-F169 HydrophobicContact CD2-CD1 3.75Å; L165-F169 HydrophobicContact CD2-CG 4.26Å; L165-S177 WeakPolarHBondContact O-CB 3.37Å
166	T	98.5	Very high	95.9	Very high	12 Å²	12	55.1 Å²	55.1	7%	0.074	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-75.7	-8.1	-177.6	62	0	0	0	0	113.7	S137 N140 Y144 H164 G168 T179	S137-T166 VanDerWaalsContact CB-CG2 3.44Å; S137-T166 VanDerWaalsContact OG-CG2 3.25Å; S137-T166 WeakPolarHBondContact OG-CG2 3.17Å; N140-T166 PolarHBondContact ND2-OG1 2.81Å; Y144-T166 WeakPolarHBondContact CE2-O 3.45Å; Y144-T166 PolarHBondContact OH-O 3.5Å; H164-T166 VanDerWaalsContact CE1-CG2 3.48Å; H164-T166 WeakPolarHBondContact CE1-CG2 3.32Å; H164-T166 WeakPolarHBondContact ND1-CG2 3.23Å; H164-T166 PolarHBondContact ND1-N 3.32Å; H164-T166 PolarHBondContact ND1-OG1 3.12Å; H164-T166 PolarHBondContact O-N 3.48Å; T166-G168 VanDerWaalsContact C-N 3.27Å; T166-T179 PolarHBondContact O-OG1 3.08Å
167	H	98.7	Very high	95.8	Very high	3 Å²	3	55.6 Å²	55.6	1%	0.014	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-90.9	4.4	177.7	-52.3	162	0	0	0	112.2	L154 H164 L165 I215 D244	L154-H167 WeakPolarHBondContact CD1-O 3.22Å; H164-H167 PolarHBondContact N-ND1 2.95Å; H164-H167 WeakPolarHBondContact O-CB 3.23Å; H164-H167 PolarHBondContact O-N 2.87Å; L165-H167 PolarHBondContact O-N 3.23Å; H167-I215 HydrophobicContact CB-CD1 3.86Å; H167-D244 IonicContact CD2-OD2 3.19Å; H167-D244 IonicContact CE1-OD2 2.79Å; H167-D244 IonicContact NE2-OD2 3.41Å; H167-D244 PolarHBondContact NE2-OD2 3Å
168	G	98	Very high	95.8	Very high	8 Å²	8	57.9 Å²	57.9	8%	0.082	29%	0.288	C	S	.	.			trans	104.4	119.6	-178.4	0	0	0	0	0	110.9	L165 T166 S180	L165-G168 PolarHBondContact O-N 2.88Å; T166-G168 VanDerWaalsContact C-N 3.27Å; G168-S180 WeakPolarHBondContact CA-OG 3.35Å
169	F	96.9	Very high	96	Very high	25 Å²	25	57.1 Å²	57.1	11%	0.11	28%	0.284	C	S	.	.			trans	-144.5	129.5	173.5	-177	-122.5	0	0	0	111.4	L159 L165 T171 I176 S177 S180	L159-F169 HydrophobicContact CB-CD2 3.66Å; L159-F169 HydrophobicContact CB-CE2 4.01Å; L159-F169 HydrophobicContact CB-CG 4.19Å; L159-F169 HydrophobicContact CD2-CB 4.43Å; L159-F169 HydrophobicContact CD2-CD1 3.66Å; L159-F169 HydrophobicContact CD2-CD2 3.79Å; L159-F169 HydrophobicContact CD2-CE1 3.76Å; L159-F169 HydrophobicContact CD2-CE2 3.89Å; L159-F169 HydrophobicContact CD2-CG 3.69Å; L159-F169 HydrophobicContact CD2-CZ 3.88Å; L159-F169 HydrophobicContact CG-CD2 4.4Å; L165-F169 HydrophobicContact CD2-CB 4.17Å; L165-F169 HydrophobicContact CD2-CD1 3.75Å; L165-F169 HydrophobicContact CD2-CG 4.26Å; F169-T171 HydrophobicContact CZ-CG2 4.3Å; F169-I176 HydrophobicContact CD1-CB 3.61Å; F169-I176 HydrophobicContact CD1-CG1 3.9Å; F169-I176 HydrophobicContact CD1-CG2 3.81Å; F169-I176 HydrophobicContact CE1-CB 4.06Å; F169-I176 HydrophobicContact CE1-CG1 3.86Å; F169-I176 HydrophobicContact CE1-CG2 4.15Å; F169-I176 PolarHBondContact O-N 2.9Å; F169-S177 PolarHBondContact N-OG 3.15Å; F169-S177 PolarHBondContact O-N 3.33Å; F169-S177 PolarHBondContact O-OG 2.96Å; F169-S180 PolarHBondContact N-OG 3.35Å; F169-S180 PolarHBondContact O-OG 2.61Å
170	Y	95.5	Very high	96.2	Very high	88 Å²	88	55 Å²	55	35%	0.345	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	154.7	176	59.9	-84.3	0	0	0	109.2	K174 S185 P187	Y170-K174 CarbonylContact C-O 3.6Å; Y170-K174 VanDerWaalsContact CA-O 3.31Å; Y170-K174 WeakPolarHBondContact CA-O 3.34Å; Y170-S185 WeakPolarHBondContact CE1-O 3.27Å; Y170-P187 WeakPolarHBondContact OH-CD 3.39Å
171	T	92.7	Very high	96.5	Very high	66 Å²	66	58.3 Å²	58.3	41%	0.405	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	175.2	167.9	69.9	0	0	0	0	109.1	F169 K173 K174 I176	F169-T171 HydrophobicContact CZ-CG2 4.3Å; T171-K173 PolarHBondContact O-N 3.44Å; T171-K173 PolarHBondContact OG1-N 2.86Å; T171-K174 PolarHBondContact N-O 3.46Å; T171-K174 PolarHBondContact O-N 3.35Å; T171-K174 PolarHBondContact OG1-N 2.91Å; T171-I176 HydrophobicContact CG2-CG1 4.35Å
172	E	91	Very high	96.6	Very high	199 Å²	199	62.5 Å²	62.5	93%	0.93	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-28.1	174.4	-63.7	179.4	172.5	0	0	113.6
173	K	93.6	Very high	96.8	Very high	197 Å²	197	62.6 Å²	62.6	86%	0.857	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	-16	-172.8	-61.1	-176.2	-178.8	-180	0	114.2	T171	T171-K173 PolarHBondContact O-N 3.44Å; T171-K173 PolarHBondContact OG1-N 2.86Å
174	K	95.3	Very high	96.9	Very high	138 Å²	138	65.4 Å²	65.4	60%	0.6	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.6	130.6	-168.7	-171.5	175.5	175.7	-178.5	0	112.9	Y170 T171 I176	Y170-K174 CarbonylContact C-O 3.6Å; Y170-K174 VanDerWaalsContact CA-O 3.31Å; Y170-K174 WeakPolarHBondContact CA-O 3.34Å; T171-K174 PolarHBondContact N-O 3.46Å; T171-K174 PolarHBondContact O-N 3.35Å; T171-K174 PolarHBondContact OG1-N 2.91Å; K174-I176 HydrophobicContact CB-CD1 4.08Å; K174-I176 HydrophobicContact CD-CD1 3.72Å; K174-I176 HydrophobicContact CG-CD1 3.8Å; K174-I176 PolarHBondContact O-N 3.16Å
175	K	96.4	Very high	96.9	Very high	84 Å²	84	63.3 Å²	63.3	37%	0.365	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	119.2	162.4	-71.2	171.1	161.2	-149.1	0	108.5	S180 E184	K175-S180 WeakPolarHBondContact CD-O 3.48Å; K175-S180 WeakPolarHBondContact CE-O 3.38Å; K175-S180 PolarHBondContact NZ-O 2.87Å; K175-E184 IonicContact NZ-OE1 2.81Å; K175-E184 PolarHBondContact NZ-OE1 2.85Å; K175-E184 IonicContact NZ-OE2 3.55Å; K175-E184 PolarHBondContact NZ-OE2 3.47Å; K175-E184 VanDerWaalsContact NZ-OE2 3.09Å
176	I	96.2	Very high	97	Very high	79 Å²	79	61.2 Å²	61.2	41%	0.405	30%	0.299	S	S	.	.			trans	-98.2	-51.6	-173.2	-56.9	-65.3	0	0	0	110.7	F169 T171 K174	F169-I176 HydrophobicContact CD1-CB 3.61Å; F169-I176 HydrophobicContact CD1-CG1 3.9Å; F169-I176 HydrophobicContact CD1-CG2 3.81Å; F169-I176 HydrophobicContact CE1-CB 4.06Å; F169-I176 HydrophobicContact CE1-CG1 3.86Å; F169-I176 HydrophobicContact CE1-CG2 4.15Å; F169-I176 PolarHBondContact O-N 2.9Å; T171-I176 HydrophobicContact CG2-CG1 4.35Å; K174-I176 HydrophobicContact CB-CD1 4.08Å; K174-I176 HydrophobicContact CD-CD1 3.72Å; K174-I176 HydrophobicContact CG-CD1 3.8Å; K174-I176 PolarHBondContact O-N 3.16Å
177	S	97.6	Very high	96.9	Very high	12 Å²	12	61.6 Å²	61.6	8%	0.084	30%	0.302	C	S	.	.	S	Bend	trans	-75.5	146.2	177.9	70.6	0	0	0	0	111.5	L165 F169 T179 S180 L181	L165-S177 WeakPolarHBondContact O-CB 3.37Å; F169-S177 PolarHBondContact N-OG 3.15Å; F169-S177 PolarHBondContact O-N 3.33Å; F169-S177 PolarHBondContact O-OG 2.96Å; S177-T179 PolarHBondContact O-N 2.73Å; S177-S180 PolarHBondContact O-N 2.64Å; S177-S180 WeakPolarHBondContact OG-CB 3.33Å; S177-S180 PolarHBondContact OG-N 3.23Å; S177-S180 PolarHBondContact OG-OG 3.23Å; S177-S180 VanDerWaalsContact OG-OG 3.06Å; S177-L181 PolarHBondContact O-N 3.48Å; S177-L181 VanDerWaalsContact O-N 3.11Å
178	A	98.3	Very high	96.9	Very high	51 Å²	51	61.4 Å²	61.4	42%	0.421	30%	0.301	S	S	.	.	H	α-helix	trans	-57.9	-33.7	168.9	0	0	0	0	0	111.4	F141 S180 L181 F182	F141-A178 HydrophobicContact CE2-CB 4.13Å; A178-S180 PolarHBondContact O-N 2.79Å; A178-L181 WeakPolarHBondContact O-CB 3.26Å; A178-L181 PolarHBondContact O-N 3.46Å; A178-L181 VanDerWaalsContact O-N 3.09Å; A178-F182 HydrophobicContact CB-CD2 4.25Å; A178-F182 HydrophobicContact CB-CE2 4.26Å; A178-F182 VanDerWaalsContact O-CD2 3.22Å; A178-F182 WeakPolarHBondContact O-CD2 3.29Å; A178-F182 PolarHBondContact O-N 3.05Å
179	T	98.6	Very high	96.9	Very high	4 Å²	4	65 Å²	65	3%	0.025	31%	0.314	C	S	.	.	H	α-helix	trans	-54.4	-52.7	173.9	-57	0	0	0	0	111.4	Y144 L154 T166 S177 L181 F183	Y144-T179 HydrophobicContact CD2-CG2 4.05Å; Y144-T179 HydrophobicContact CE2-CG2 3.77Å; L154-T179 HydrophobicContact CD1-CG2 3.95Å; L154-T179 HydrophobicContact CD2-CG2 3.58Å; L154-T179 HydrophobicContact CG-CG2 4.35Å; T166-T179 PolarHBondContact O-OG1 3.08Å; S177-T179 PolarHBondContact O-N 2.73Å; T179-L181 VanDerWaalsContact C-N 3.26Å; T179-L181 PolarHBondContact O-N 3.25Å; T179-F183 HydrophobicContact CG2-CD2 4.35Å; T179-F183 WeakPolarHBondContact O-CA 3.1Å; T179-F183 VanDerWaalsContact O-CB 3.25Å; T179-F183 WeakPolarHBondContact O-CB 3.36Å; T179-F183 WeakPolarHBondContact O-CD2 3.42Å; T179-F183 PolarHBondContact O-N 3.18Å
180	S	98.3	Very high	96.9	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-70.6	-20.8	177.7	-56.2	0	0	0	0	113.7	G168 F169 K175 S177 A178 F183 S185	G168-S180 WeakPolarHBondContact CA-OG 3.35Å; F169-S180 PolarHBondContact N-OG 3.35Å; F169-S180 PolarHBondContact O-OG 2.61Å; K175-S180 WeakPolarHBondContact CD-O 3.48Å; K175-S180 WeakPolarHBondContact CE-O 3.38Å; K175-S180 PolarHBondContact NZ-O 2.87Å; S177-S180 PolarHBondContact O-N 2.64Å; S177-S180 WeakPolarHBondContact OG-CB 3.33Å; S177-S180 PolarHBondContact OG-N 3.23Å; S177-S180 PolarHBondContact OG-OG 3.23Å; S177-S180 VanDerWaalsContact OG-OG 3.06Å; A178-S180 PolarHBondContact O-N 2.79Å; S180-F183 CarbonylContact C-O 3.47Å; S180-F183 WeakPolarHBondContact CA-O 3.48Å; S180-S185 WeakPolarHBondContact CB-OG 3.48Å; S180-S185 PolarHBondContact OG-OG 2.88Å
181	L	98.1	Very high	96.9	Very high	97 Å²	97	62.8 Å²	62.8	51%	0.508	31%	0.31	S	S	.	.	H	α-helix	trans	-72	-49	176.6	-176.6	62.5	0	0	0	111.6	S177 A178 T179	S177-L181 PolarHBondContact O-N 3.48Å; S177-L181 VanDerWaalsContact O-N 3.11Å; A178-L181 WeakPolarHBondContact O-CB 3.26Å; A178-L181 PolarHBondContact O-N 3.46Å; A178-L181 VanDerWaalsContact O-N 3.09Å; T179-L181 VanDerWaalsContact C-N 3.26Å; T179-L181 PolarHBondContact O-N 3.25Å
182	F	98.4	Very high	96.9	Very high	106 Å²	106	64 Å²	64	47%	0.465	32%	0.318	S	S	.	.	H	α-helix	trans	-94.2	-20	-174.4	-63.5	-72	0	0	0	113.8	F141 H151 A178	F141-F182 HydrophobicContact CE2-CB 4.41Å; F141-F182 AromaticContact CE2-CD2 3.76Å; F141-F182 HydrophobicContact CE2-CD2 3.76Å; F141-F182 HydrophobicContact CE2-CG 4.45Å; F141-F182 HydrophobicContact CZ-CB 4.22Å; F141-F182 AromaticContact CZ-CD2 3.52Å; F141-F182 HydrophobicContact CZ-CD2 3.52Å; F141-F182 HydrophobicContact CZ-CE2 4.15Å; F141-F182 HydrophobicContact CZ-CG 4.05Å; H151-F182 PolarHBondContact N-O 3.46Å; A178-F182 HydrophobicContact CB-CD2 4.25Å; A178-F182 HydrophobicContact CB-CE2 4.26Å; A178-F182 VanDerWaalsContact O-CD2 3.22Å; A178-F182 WeakPolarHBondContact O-CD2 3.29Å; A178-F182 PolarHBondContact O-N 3.05Å
183	F	98.7	Very high	97	Very high	4 Å²	4	63.2 Å²	63.2	2%	0.018	32%	0.315	C	S	.	.	S	Bend	trans	-125.5	161.7	179.4	-50.9	-75.8	0	0	0	110.2	F141 Y144 L148 G149 G152 L154 T179 S180	F141-F183 HydrophobicContact CD2-CE2 4.04Å; F141-F183 HydrophobicContact CE2-CD2 4.39Å; F141-F183 AromaticContact CE2-CE2 3.62Å; F141-F183 HydrophobicContact CE2-CE2 3.62Å; F141-F183 HydrophobicContact CE2-CZ 4.5Å; F141-F183 AromaticContact CZ-CE2 4Å; F141-F183 HydrophobicContact CZ-CE2 4Å; F141-F183 HydrophobicContact CZ-CZ 4.49Å; Y144-F183 VanDerWaalsContact CB-CE2 3.4Å; Y144-F183 HydrophobicContact CD2-CD2 4.22Å; Y144-F183 HydrophobicContact CD2-CE2 4Å; Y144-F183 HydrophobicContact CG-CD2 4.46Å; Y144-F183 HydrophobicContact CG-CE2 4.18Å; L148-F183 HydrophobicContact CB-CD1 3.75Å; L148-F183 HydrophobicContact CB-CE1 3.81Å; L148-F183 HydrophobicContact CD1-CD1 3.9Å; L148-F183 HydrophobicContact CD1-CE1 4.39Å; L148-F183 HydrophobicContact CD1-CG 4.2Å; L148-F183 HydrophobicContact CG-CD1 4.47Å; G149-F183 WeakPolarHBondContact O-CD1 3.1Å; G149-F183 WeakPolarHBondContact O-CE1 3.41Å; G152-F183 WeakPolarHBondContact O-CB 3.48Å; L154-F183 HydrophobicContact CD2-CB 3.7Å; L154-F183 HydrophobicContact CD2-CD2 4.37Å; L154-F183 HydrophobicContact CD2-CG 4.12Å; T179-F183 HydrophobicContact CG2-CD2 4.35Å; T179-F183 WeakPolarHBondContact O-CA 3.1Å; T179-F183 VanDerWaalsContact O-CB 3.25Å; T179-F183 WeakPolarHBondContact O-CB 3.36Å; T179-F183 WeakPolarHBondContact O-CD2 3.42Å; T179-F183 PolarHBondContact O-N 3.18Å; S180-F183 CarbonylContact C-O 3.47Å; S180-F183 WeakPolarHBondContact CA-O 3.48Å
184	E	98.6	Very high	97.1	Very high	63 Å²	63	56.9 Å²	56.9	29%	0.294	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	107.5	173.5	-60.1	-50.1	143.3	0	0	109.6	H151 G152 R153 L154 K175 F209	H151-E184 HydrophobicContact CB-CG 4.34Å; H151-E184 IonicContact ND1-OE1 3.39Å; H151-E184 PolarHBondContact ND1-OE1 2.79Å; G152-E184 PolarHBondContact O-N 2.89Å; R153-E184 CarbonylContact C-O 3.58Å; R153-E184 VanDerWaalsContact CA-O 3.28Å; R153-E184 WeakPolarHBondContact CA-O 3.36Å; R153-E184 HydrophobicContact CG-CB 4.17Å; L154-E184 PolarHBondContact N-O 2.85Å; K175-E184 IonicContact NZ-OE1 2.81Å; K175-E184 PolarHBondContact NZ-OE1 2.85Å; K175-E184 IonicContact NZ-OE2 3.55Å; K175-E184 PolarHBondContact NZ-OE2 3.47Å; K175-E184 VanDerWaalsContact NZ-OE2 3.09Å; E184-F209 HydrophobicContact CB-CZ 4.23Å; E184-F209 WeakPolarHBondContact O-CZ 3.35Å
185	S	98.4	Very high	97.1	Very high	11 Å²	11	50.5 Å²	50.5	8%	0.077	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	138.5	179.6	60.2	0	0	0	0	111.7	L154 Y170 S180	L154-S185 WeakPolarHBondContact O-CA 3.3Å; Y170-S185 WeakPolarHBondContact CE1-O 3.27Å; S180-S185 WeakPolarHBondContact CB-OG 3.48Å; S180-S185 PolarHBondContact OG-OG 2.88Å
186	L	98.4	Very high	97.2	Very high	39 Å²	39	50.2 Å²	50.2	20%	0.204	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	124.7	167.1	-178.9	68.2	0	0	0	109.9	L154 M155 R205 F209	L154-L186 PolarHBondContact O-N 3.17Å; M155-L186 VanDerWaalsContact CA-O 3.27Å; M155-L186 WeakPolarHBondContact CA-O 3.46Å; M155-L186 WeakPolarHBondContact CB-O 3.35Å; M155-L186 HydrophobicContact CG-CB 4.27Å; M155-L186 VanDerWaalsContact CG-O 3.27Å; M155-L186 WeakPolarHBondContact CG-O 3.35Å; L186-R205 HydrophobicContact CD2-CB 4.43Å; L186-F209 HydrophobicContact CB-CD1 3.63Å; L186-F209 HydrophobicContact CB-CD2 3.98Å; L186-F209 HydrophobicContact CB-CE1 3.56Å; L186-F209 HydrophobicContact CB-CE2 3.93Å; L186-F209 HydrophobicContact CB-CG 3.84Å; L186-F209 HydrophobicContact CB-CZ 3.72Å; L186-F209 HydrophobicContact CD2-CB 3.52Å; L186-F209 HydrophobicContact CD2-CD1 4.06Å; L186-F209 HydrophobicContact CD2-CD2 3.8Å; L186-F209 HydrophobicContact CD2-CG 3.53Å; L186-F209 HydrophobicContact CG-CD2 4.47Å; L186-F209 HydrophobicContact CG-CG 4.33Å
187	P	97.9	Very high	97.3	Very high	19 Å²	19	46.9 Å²	46.9	12%	0.123	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	146.4	179.9	28.3	-35.1	0	0	0	112.9	G156 D158 Y170	G156-P187 CarbonylContact O-C 3.19Å; G156-P187 VanDerWaalsContact O-CA 3.25Å; G156-P187 WeakPolarHBondContact O-CA 3.44Å; D158-P187 HydrophobicContact CB-CB 3.71Å; Y170-P187 WeakPolarHBondContact OH-CD 3.39Å
188	Y	98.4	Very high	97.3	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	164.5	152.6	63	-99.7	0	0	0	109.7	M155 G156 L157 D158 I197 L202 I214 I215 F230	M155-Y188 HydrophobicContact CB-CD1 4.35Å; G156-Y188 VanDerWaalsContact C-CD1 3.43Å; G156-Y188 VanDerWaalsContact O-CD1 3.29Å; G156-Y188 WeakPolarHBondContact O-CD1 3.06Å; G156-Y188 PolarHBondContact O-N 2.89Å; L157-Y188 HydrophobicContact CB-CD2 4.23Å; L157-Y188 HydrophobicContact CB-CE2 3.53Å; L157-Y188 HydrophobicContact CD1-CD2 3.73Å; L157-Y188 HydrophobicContact CD1-CE2 3.61Å; L157-Y188 HydrophobicContact CG-CE2 4.11Å; L157-Y188 VanDerWaalsContact N-CE1 3.32Å; D158-Y188 PolarHBondContact N-O 3.47Å; Y188-I197 HydrophobicContact CD2-CG2 4.16Å; Y188-I197 HydrophobicContact CE2-CD1 4.26Å; Y188-I197 HydrophobicContact CE2-CG2 4.15Å; Y188-L202 HydrophobicContact CD1-CD1 3.51Å; Y188-L202 HydrophobicContact CD1-CG 3.97Å; Y188-L202 HydrophobicContact CD2-CD1 3.63Å; Y188-L202 HydrophobicContact CD2-CG 4.42Å; Y188-L202 HydrophobicContact CE1-CD1 3.82Å; Y188-L202 HydrophobicContact CE2-CD1 3.93Å; Y188-L202 HydrophobicContact CG-CB 4.44Å; Y188-L202 HydrophobicContact CG-CD1 3.4Å; Y188-L202 VanDerWaalsContact CG-CD1 3.4Å; Y188-L202 HydrophobicContact CG-CG 3.82Å; Y188-I214 HydrophobicContact CE1-CG2 4.44Å; Y188-I215 WeakPolarHBondContact CE1-O 3.39Å; Y188-I215 PolarHBondContact OH-O 2.96Å; Y188-F230 HydrophobicContact CE1-CE1 4.15Å; Y188-F230 HydrophobicContact CE2-CE1 4.43Å; Y188-F230 HydrophobicContact CE2-CZ 4.17Å; Y188-F230 AromaticContact CZ-CE1 3.85Å; Y188-F230 AromaticContact CZ-CZ 3.87Å; Y188-F230 WeakPolarHBondContact OH-CZ 3.36Å
189	K	97.5	Very high	97.4	Very high	83 Å²	83	48.6 Å²	48.6	36%	0.361	25%	0.249	S	C	.	.			trans	-127.9	167.1	-167.3	-66.9	-155.9	169.2	-121	0	112.7	D158 D161 D198	D158-K189 HydrophobicContact CB-CG 4.36Å; D158-K189 WeakPolarHBondContact OD2-CE 3.47Å; D158-K189 IonicContact OD2-NZ 2.77Å; D158-K189 PolarHBondContact OD2-NZ 3.46Å; D161-K189 WeakPolarHBondContact OD2-CA 3.37Å; D161-K189 WeakPolarHBondContact OD2-CB 3.49Å; D161-K189 WeakPolarHBondContact OD2-CG 3.36Å; K189-D198 PolarHBondContact O-N 2.89Å; K189-D198 VanDerWaalsContact O-N 3.11Å
190	V	97.5	Very high	97.3	Very high	11 Å²	11	52.4 Å²	52.4	7%	0.067	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-88	158	161.2	-60.1	0	0	0	0	110.7	L157 D161 L196 I197 P402	L157-V190 HydrophobicContact CD1-CG1 4.16Å; D161-V190 HydrophobicContact CB-CG1 4.22Å; D161-V190 HydrophobicContact CB-CG2 3.89Å; D161-V190 PolarHBondContact OD2-N 3.16Å; D161-V190 VanDerWaalsContact OD2-N 3.08Å; V190-L196 CarbonylContact C-O 3.45Å; V190-L196 WeakPolarHBondContact CA-O 3.14Å; V190-L196 VanDerWaalsContact CB-O 3.29Å; V190-L196 WeakPolarHBondContact CB-O 3.34Å; V190-I197 HydrophobicContact CG1-CG1 4.1Å; V190-P402 HydrophobicContact CG2-CB 3.87Å; V190-P402 HydrophobicContact CG2-CG 3.84Å
191	D	95.7	Very high	97.3	Very high	56 Å²	56	52.6 Å²	52.6	30%	0.299	27%	0.271	S	S	.	.			trans	-69.1	123	162.1	177.1	-60.6	0	0	0	108.4	E193 T194 G195 L196	D191-E193 VanDerWaalsContact C-N 3.26Å; D191-E193 PolarHBondContact O-N 3.45Å; D191-E193 WeakPolarHBondContact OD1-CA 3.45Å; D191-E193 WeakPolarHBondContact OD1-CB 3.33Å; D191-E193 PolarHBondContact OD1-N 3.28Å; D191-T194 WeakPolarHBondContact CB-OG1 3.24Å; D191-T194 PolarHBondContact OD1-N 3.21Å; D191-T194 PolarHBondContact OD1-OG1 3.19Å; D191-G195 VanDerWaalsContact O-CA 3.23Å; D191-G195 WeakPolarHBondContact O-CA 3.34Å; D191-G195 PolarHBondContact O-N 2.86Å; D191-L196 PolarHBondContact N-O 3.37Å
192	P	92.7	Very high	97.3	Very high	90 Å²	90	48 Å²	48	58%	0.584	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-18.5	-174.7	28.5	-35.3	0	0	0	114.1
193	E	92.7	Very high	97.4	Very high	184 Å²	184	44.3 Å²	44.3	86%	0.86	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-42.8	179	-58.7	-174.4	167.7	0	0	111	D191	D191-E193 VanDerWaalsContact C-N 3.26Å; D191-E193 PolarHBondContact O-N 3.45Å; D191-E193 WeakPolarHBondContact OD1-CA 3.45Å; D191-E193 WeakPolarHBondContact OD1-CB 3.33Å; D191-E193 PolarHBondContact OD1-N 3.28Å
194	T	95.5	Very high	97.3	Very high	64 Å²	64	51.5 Å²	51.5	39%	0.393	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-24.7	-177.5	68.5	0	0	0	0	113.4	D191 L196	D191-T194 WeakPolarHBondContact CB-OG1 3.24Å; D191-T194 PolarHBondContact OD1-N 3.21Å; D191-T194 PolarHBondContact OD1-OG1 3.19Å; T194-L196 PolarHBondContact O-N 3.21Å; T194-L196 PolarHBondContact OG1-N 2.84Å
195	G	96.2	Very high	97.3	Very high	3 Å²	3	53.6 Å²	53.6	3%	0.031	27%	0.265	C	S	.	.			trans	72.3	6.9	-170.8	0	0	0	0	0	114.4	D191 H221	D191-G195 VanDerWaalsContact O-CA 3.23Å; D191-G195 WeakPolarHBondContact O-CA 3.34Å; D191-G195 PolarHBondContact O-N 2.86Å; G195-H221 PolarHBondContact O-CE1 3.34Å; G195-H221 VanDerWaalsContact O-CE1 3.23Å
196	L	97.9	Very high	97.3	Very high	78 Å²	78	53.1 Å²	53.1	41%	0.408	26%	0.261	S	S	.	.	S	Bend	trans	-90.5	151.3	179.3	-59.2	177.3	0	0	0	111.1	V190 D191 T194 D198 R223 T363	V190-L196 CarbonylContact C-O 3.45Å; V190-L196 WeakPolarHBondContact CA-O 3.14Å; V190-L196 VanDerWaalsContact CB-O 3.29Å; V190-L196 WeakPolarHBondContact CB-O 3.34Å; D191-L196 PolarHBondContact N-O 3.37Å; T194-L196 PolarHBondContact O-N 3.21Å; T194-L196 PolarHBondContact OG1-N 2.84Å; L196-D198 PolarHBondContact O-N 3.5Å; L196-R223 HydrophobicContact CD2-CB 4.38Å; L196-R223 HydrophobicContact CD2-CG 3.77Å; L196-T363 HydrophobicContact CD2-CG2 4Å
197	I	98.3	Very high	97.4	Very high	10 Å²	10	57.1 Å²	57.1	5%	0.051	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-60	127.7	176.2	-67.2	172.7	0	0	0	110.5	L157 Y188 V190 Y199 L225 F230	L157-I197 HydrophobicContact CD1-CG1 4.44Å; Y188-I197 HydrophobicContact CD2-CG2 4.16Å; Y188-I197 HydrophobicContact CE2-CD1 4.26Å; Y188-I197 HydrophobicContact CE2-CG2 4.15Å; V190-I197 HydrophobicContact CG1-CG1 4.1Å; I197-Y199 HydrophobicContact CB-CD2 4.36Å; I197-Y199 HydrophobicContact CB-CE2 3.91Å; I197-Y199 HydrophobicContact CG2-CD1 4.16Å; I197-Y199 HydrophobicContact CG2-CD2 4.22Å; I197-Y199 HydrophobicContact CG2-CE1 4.06Å; I197-Y199 HydrophobicContact CG2-CE2 4.11Å; I197-Y199 HydrophobicContact CG2-CG 4.24Å; I197-Y199 WeakPolarHBondContact O-CD2 3.49Å; I197-Y199 PolarHBondContact O-N 2.88Å; I197-L225 HydrophobicContact CD1-CD2 3.41Å; I197-L225 VanDerWaalsContact CD1-CD2 3.41Å; I197-F230 HydrophobicContact CD1-CZ 4.34Å
198	D	98.2	Very high	97.4	Very high	57 Å²	57	60.3 Å²	60.3	31%	0.305	30%	0.301	S	S	.	.			trans	-79.5	84.9	172.7	176.6	11.3	0	0	0	109.5	K189 L196 D200 G201 L202 R204	K189-D198 PolarHBondContact O-N 2.89Å; K189-D198 VanDerWaalsContact O-N 3.11Å; L196-D198 PolarHBondContact O-N 3.5Å; D198-D200 PolarHBondContact O-N 3.17Å; D198-D200 PolarHBondContact OD1-N 3.45Å; D198-G201 VanDerWaalsContact CG-N 3.26Å; D198-G201 PolarHBondContact O-N 3.1Å; D198-G201 PolarHBondContact OD1-N 3.22Å; D198-G201 VanDerWaalsContact OD2-CA 3.24Å; D198-G201 WeakPolarHBondContact OD2-CA 3.44Å; D198-G201 PolarHBondContact OD2-N 3.07Å; D198-L202 WeakPolarHBondContact O-CB 3.48Å; D198-L202 PolarHBondContact O-N 3.25Å; D198-R204 IonicContact OD2-NH2 3.24Å
199	Y	98.5	Very high	97.4	Very high	42 Å²	42	62.1 Å²	62.1	17%	0.165	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-29.7	-179.7	-68.2	-83.7	0	0	0	113.1	I197 L202 L203 D226 R229 F230 I233	I197-Y199 HydrophobicContact CB-CD2 4.36Å; I197-Y199 HydrophobicContact CB-CE2 3.91Å; I197-Y199 HydrophobicContact CG2-CD1 4.16Å; I197-Y199 HydrophobicContact CG2-CD2 4.22Å; I197-Y199 HydrophobicContact CG2-CE1 4.06Å; I197-Y199 HydrophobicContact CG2-CE2 4.11Å; I197-Y199 HydrophobicContact CG2-CG 4.24Å; I197-Y199 WeakPolarHBondContact O-CD2 3.49Å; I197-Y199 PolarHBondContact O-N 2.88Å; Y199-L202 WeakPolarHBondContact O-CB 3.39Å; Y199-L202 PolarHBondContact O-N 3.32Å; Y199-L203 PolarHBondContact O-N 3.38Å; Y199-D226 HydrophobicContact CE1-CB 4.07Å; Y199-D226 HydrophobicContact CE2-CB 4.32Å; Y199-D226 PolarHBondContact OH-N 3.15Å; Y199-R229 HydrophobicContact CD1-CB 4.12Å; Y199-R229 HydrophobicContact CD1-CG 3.68Å; Y199-R229 HydrophobicContact CE1-CB 4.42Å; Y199-R229 HydrophobicContact CE1-CG 4.46Å; Y199-R229 HydrophobicContact CG-CG 3.85Å; Y199-F230 AromaticContact CE1-CD2 3.77Å; Y199-F230 HydrophobicContact CE1-CD2 3.77Å; Y199-F230 AromaticContact CE1-CE2 3.53Å; Y199-F230 HydrophobicContact CE1-CE2 3.53Å; Y199-F230 HydrophobicContact CE1-CG 4.47Å; Y199-F230 HydrophobicContact CE1-CZ 4.08Å; Y199-I233 WeakPolarHBondContact O-CD1 3.33Å
200	D	98.2	Very high	97.4	Very high	83 Å²	83	65 Å²	65	44%	0.444	32%	0.318	S	S	.	.	H	α-helix	trans	-76.4	-39.1	178.1	-68.7	-24.5	0	0	0	110.7	D198 L202 L203 R204 R229	D198-D200 PolarHBondContact O-N 3.17Å; D198-D200 PolarHBondContact OD1-N 3.45Å; D200-L202 VanDerWaalsContact C-N 3.32Å; D200-L203 PolarHBondContact O-N 3.16Å; D200-R204 VanDerWaalsContact C-NH1 3.33Å; D200-R204 WeakPolarHBondContact O-CG 3.5Å; D200-R204 PolarHBondContact O-N 3.34Å; D200-R204 PolarHBondContact O-NH1 2.99Å; D200-R229 IonicContact OD1-CZ 2.92Å; D200-R229 IonicContact OD1-NH2 3.78Å; D200-R229 PolarHBondContact OD1-NH2 3.45Å
201	G	98.1	Very high	97.5	Very high	4 Å²	4	64.7 Å²	64.7	4%	0.041	32%	0.316	C	S	.	.	H	α-helix	trans	-61.4	-39.3	168.5	0	0	0	0	0	112.8	D198 R204 R205	D198-G201 VanDerWaalsContact CG-N 3.26Å; D198-G201 PolarHBondContact O-N 3.1Å; D198-G201 PolarHBondContact OD1-N 3.22Å; D198-G201 VanDerWaalsContact OD2-CA 3.24Å; D198-G201 WeakPolarHBondContact OD2-CA 3.44Å; D198-G201 PolarHBondContact OD2-N 3.07Å; G201-R204 VanDerWaalsContact CA-NH2 3.27Å; G201-R204 PolarHBondContact O-N 3.21Å; G201-R205 WeakPolarHBondContact O-CB 3.42Å; G201-R205 VanDerWaalsContact O-CG 3.31Å; G201-R205 WeakPolarHBondContact O-CG 3.19Å; G201-R205 PolarHBondContact O-N 2.94Å
202	L	98.6	Very high	97.6	Very high	1 Å²	1	66.8 Å²	66.8	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-57.9	-51.9	172.2	-169.5	159.2	0	0	0	110.6	Y188 D198 Y199 D200 R204 R205 A206 I214 F230 I233	Y188-L202 HydrophobicContact CD1-CD1 3.51Å; Y188-L202 HydrophobicContact CD1-CG 3.97Å; Y188-L202 HydrophobicContact CD2-CD1 3.63Å; Y188-L202 HydrophobicContact CD2-CG 4.42Å; Y188-L202 HydrophobicContact CE1-CD1 3.82Å; Y188-L202 HydrophobicContact CE2-CD1 3.93Å; Y188-L202 HydrophobicContact CG-CB 4.44Å; Y188-L202 HydrophobicContact CG-CD1 3.4Å; Y188-L202 VanDerWaalsContact CG-CD1 3.4Å; Y188-L202 HydrophobicContact CG-CG 3.82Å; D198-L202 WeakPolarHBondContact O-CB 3.48Å; D198-L202 PolarHBondContact O-N 3.25Å; Y199-L202 WeakPolarHBondContact O-CB 3.39Å; Y199-L202 PolarHBondContact O-N 3.32Å; D200-L202 VanDerWaalsContact C-N 3.32Å; L202-R204 PolarHBondContact O-N 3.23Å; L202-R205 PolarHBondContact O-N 3.11Å; L202-A206 VanDerWaalsContact O-CB 3.3Å; L202-A206 WeakPolarHBondContact O-CB 3.31Å; L202-A206 PolarHBondContact O-N 3.37Å; L202-I214 HydrophobicContact CD2-CD1 4.3Å; L202-I214 HydrophobicContact CD2-CG2 4.32Å; L202-F230 HydrophobicContact CD1-CD1 4.14Å; L202-F230 HydrophobicContact CD1-CE1 3.45Å; L202-F230 VanDerWaalsContact CD1-CE1 3.45Å; L202-F230 HydrophobicContact CD1-CZ 4.08Å; L202-I233 HydrophobicContact CD2-CB 4.31Å; L202-I233 HydrophobicContact CD2-CD1 3.74Å; L202-I233 HydrophobicContact CD2-CG2 3.59Å
203	L	98.6	Very high	97.9	Very high	29 Å²	29	62.5 Å²	62.5	15%	0.152	30%	0.295	C	S	.	.	H	α-helix	trans	-59	-47.3	178.2	176.2	58.7	0	0	0	112.1	Y199 D200 R205 A206 R207 I233 D236	Y199-L203 PolarHBondContact O-N 3.38Å; D200-L203 PolarHBondContact O-N 3.16Å; L203-R205 VanDerWaalsContact C-N 3.34Å; L203-R205 PolarHBondContact O-N 2.94Å; L203-A206 PolarHBondContact O-N 2.87Å; L203-R207 HydrophobicContact CD1-CG 4.28Å; L203-R207 PolarHBondContact O-N 2.8Å; L203-I233 HydrophobicContact CB-CD1 4.08Å; L203-I233 HydrophobicContact CB-CG1 4.08Å; L203-I233 HydrophobicContact CB-CG2 4.34Å; L203-I233 HydrophobicContact CD1-CB 4.38Å; L203-I233 HydrophobicContact CD1-CG1 4.15Å; L203-I233 HydrophobicContact CD1-CG2 3.85Å; L203-D236 HydrophobicContact CD1-CB 4.37Å; L203-D236 WeakPolarHBondContact CD1-OD2 3.44Å
204	R	98.4	Very high	98.2	Very high	154 Å²	154	53.8 Å²	53.8	58%	0.581	25%	0.254	S	S	*	.	H	α-helix	trans	-57.1	-47.2	177.8	-72.5	-171.3	-56.7	-85.9	1.9	111.4	D198 D200 G201 L202 A208	D198-R204 IonicContact OD2-NH2 3.24Å; D200-R204 VanDerWaalsContact C-NH1 3.33Å; D200-R204 WeakPolarHBondContact O-CG 3.5Å; D200-R204 PolarHBondContact O-N 3.34Å; D200-R204 PolarHBondContact O-NH1 2.99Å; G201-R204 VanDerWaalsContact CA-NH2 3.27Å; G201-R204 PolarHBondContact O-N 3.21Å; L202-R204 PolarHBondContact O-N 3.23Å; R204-A208 PolarHBondContact O-N 2.86Å
205	R	98.4	Very high	98.3	Very high	108 Å²	108	50.7 Å²	50.7	41%	0.408	24%	0.235	S	C	.	.	H	α-helix	trans	-66.2	-41.6	178.2	-72.6	173.4	-177.3	-90.3	-3.6	112	M155 L186 G201 L202 L203 R207 A208 F209	M155-R205 HydrophobicContact CE-CB 3.71Å; L186-R205 HydrophobicContact CD2-CB 4.43Å; G201-R205 WeakPolarHBondContact O-CB 3.42Å; G201-R205 VanDerWaalsContact O-CG 3.31Å; G201-R205 WeakPolarHBondContact O-CG 3.19Å; G201-R205 PolarHBondContact O-N 2.94Å; L202-R205 PolarHBondContact O-N 3.11Å; L203-R205 VanDerWaalsContact C-N 3.34Å; L203-R205 PolarHBondContact O-N 2.94Å; R205-R207 PolarHBondContact O-N 2.97Å; R205-A208 PolarHBondContact O-N 3.49Å; R205-F209 VanDerWaalsContact O-CB 3.29Å; R205-F209 WeakPolarHBondContact O-CB 3.3Å; R205-F209 PolarHBondContact O-N 2.94Å
206	A	98.7	Very high	98.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.2	-40.5	179.1	0	0	0	0	0	112.2	M155 L202 L203 A208 F209 R210 P211 I214 I233 V237	M155-A206 VanDerWaalsContact SD-CA 3.6Å; M155-A206 HydrophobicContact SD-CB 3.9Å; L202-A206 VanDerWaalsContact O-CB 3.3Å; L202-A206 WeakPolarHBondContact O-CB 3.31Å; L202-A206 PolarHBondContact O-N 3.37Å; L203-A206 PolarHBondContact O-N 2.87Å; A206-A208 VanDerWaalsContact C-N 3.33Å; A206-A208 PolarHBondContact O-N 2.94Å; A206-F209 PolarHBondContact O-N 3.23Å; A206-R210 WeakPolarHBondContact O-CA 3.47Å; A206-R210 PolarHBondContact O-N 3.4Å; A206-P211 HydrophobicContact CB-CG 4.25Å; A206-P211 VanDerWaalsContact O-CD 3.23Å; A206-P211 WeakPolarHBondContact O-CD 3.31Å; A206-I214 HydrophobicContact CB-CD1 4.08Å; A206-I233 HydrophobicContact CB-CG2 4.17Å; A206-V237 HydrophobicContact CB-CG1 4.02Å; A206-V237 HydrophobicContact CB-CG2 4.28Å
207	R	98.5	Very high	98.5	Very high	123 Å²	123	46.9 Å²	46.9	46%	0.464	21%	0.214	S	C	.	.	H	α-helix	trans	-62.2	-39	175.7	-75.9	177.8	171.4	172.1	-3.3	113	L203 R205 R210 D236 V237	L203-R207 HydrophobicContact CD1-CG 4.28Å; L203-R207 PolarHBondContact O-N 2.8Å; R205-R207 PolarHBondContact O-N 2.97Å; R207-R210 WeakPolarHBondContact O-CD 3.36Å; R207-R210 PolarHBondContact O-NE 2.87Å; R207-D236 IonicContact CZ-OD1 3.37Å; R207-D236 IonicContact CZ-OD2 3.88Å; R207-D236 IonicContact NE-OD1 2.66Å; R207-D236 IonicContact NE-OD2 3.77Å; R207-D236 PolarHBondContact NE-OD2 2.99Å; R207-D236 VanDerWaalsContact NH2-CG 3.33Å; R207-D236 IonicContact NH2-OD1 3.4Å; R207-D236 PolarHBondContact NH2-OD1 2.71Å; R207-D236 IonicContact NH2-OD2 3.71Å; R207-D236 PolarHBondContact NH2-OD2 2.92Å; R207-D236 VanDerWaalsContact NH2-OD2 3.08Å; R207-V237 HydrophobicContact CG-CG1 3.83Å
208	A	98.3	Very high	98.4	Very high	86 Å²	86	47.2 Å²	47.2	71%	0.711	22%	0.217	S	C	*	.	H	α-helix	trans	-74.3	-42.6	177.7	0	0	0	0	0	112.2	R204 R205 A206	R204-A208 PolarHBondContact O-N 2.86Å; R205-A208 PolarHBondContact O-N 3.49Å; A206-A208 VanDerWaalsContact C-N 3.33Å; A206-A208 PolarHBondContact O-N 2.94Å
209	F	98.5	Very high	98.4	Very high	38 Å²	38	45.2 Å²	45.2	17%	0.167	21%	0.208	C	C	.	.	H	α-helix	trans	-84.6	-25.8	-173.3	-170.9	-119.6	0	0	0	113.7	R153 L154 M155 E184 L186 R205 A206 P211	R153-F209 HydrophobicContact CB-CD1 4.32Å; R153-F209 HydrophobicContact CB-CE1 3.69Å; R153-F209 HydrophobicContact CB-CZ 3.97Å; R153-F209 WeakPolarHBondContact CD-O 3.14Å; R153-F209 HydrophobicContact CG-CE1 4.1Å; R153-F209 HydrophobicContact CG-CE2 4.36Å; R153-F209 HydrophobicContact CG-CZ 3.87Å; R153-F209 PolarHBondContact NH1-O 3.41Å; L154-F209 WeakPolarHBondContact O-CE1 3.2Å; M155-F209 HydrophobicContact CG-CD1 3.76Å; M155-F209 HydrophobicContact CG-CE1 4.22Å; M155-F209 HydrophobicContact SD-CB 4.43Å; M155-F209 HydrophobicContact SD-CD1 4.14Å; E184-F209 HydrophobicContact CB-CZ 4.23Å; E184-F209 WeakPolarHBondContact O-CZ 3.35Å; L186-F209 HydrophobicContact CB-CD1 3.63Å; L186-F209 HydrophobicContact CB-CD2 3.98Å; L186-F209 HydrophobicContact CB-CE1 3.56Å; L186-F209 HydrophobicContact CB-CE2 3.93Å; L186-F209 HydrophobicContact CB-CG 3.84Å; L186-F209 HydrophobicContact CB-CZ 3.72Å; L186-F209 HydrophobicContact CD2-CB 3.52Å; L186-F209 HydrophobicContact CD2-CD1 4.06Å; L186-F209 HydrophobicContact CD2-CD2 3.8Å; L186-F209 HydrophobicContact CD2-CG 3.53Å; L186-F209 HydrophobicContact CG-CD2 4.47Å; L186-F209 HydrophobicContact CG-CG 4.33Å; R205-F209 VanDerWaalsContact O-CB 3.29Å; R205-F209 WeakPolarHBondContact O-CB 3.3Å; R205-F209 PolarHBondContact O-N 2.94Å; A206-F209 PolarHBondContact O-N 3.23Å; F209-P211 HydrophobicContact CD1-CB 4.23Å
210	R	98.3	Very high	98.3	Very high	145 Å²	145	43.4 Å²	43.4	55%	0.547	20%	0.201	S	C	.	.			trans	51.4	61.3	-176.6	-59.4	-64.3	-174.4	161.6	1.5	112.3	A206 R207	A206-R210 WeakPolarHBondContact O-CA 3.47Å; A206-R210 PolarHBondContact O-N 3.4Å; R207-R210 WeakPolarHBondContact O-CD 3.36Å; R207-R210 PolarHBondContact O-NE 2.87Å
211	P	98.6	Very high	98.2	Very high	4 Å²	4	40 Å²	40	3%	0.026	18%	0.182	C	C	.	.			trans	-64.3	154.5	175	29.1	-33.4	0	0	0	111	M155 A206 F209 I214 V237 S239	M155-P211 HydrophobicContact CB-CB 4.48Å; M155-P211 HydrophobicContact CG-CB 3.91Å; M155-P211 HydrophobicContact CG-CG 3.97Å; M155-P211 HydrophobicContact SD-CB 4.32Å; M155-P211 HydrophobicContact SD-CG 3.72Å; A206-P211 HydrophobicContact CB-CG 4.25Å; A206-P211 VanDerWaalsContact O-CD 3.23Å; A206-P211 WeakPolarHBondContact O-CD 3.31Å; F209-P211 HydrophobicContact CD1-CB 4.23Å; P211-I214 HydrophobicContact CB-CG1 4.27Å; P211-I214 HydrophobicContact CG-CD1 4.01Å; P211-I214 HydrophobicContact CG-CG1 3.69Å; P211-V237 HydrophobicContact CG-CG2 4.44Å; P211-S239 PolarHBondContact O-OG 3.23Å
212	K	98.3	Very high	98.2	Very high	99 Å²	99	39.9 Å²	39.9	43%	0.43	18%	0.181	S	C	.	.	S	Bend	trans	-96	-23	168.1	-174.7	175.1	-172.6	-173.9	0	111.6	L147 L148 R153 S239 Y240	L147-K212 WeakPolarHBondContact O-CD 3.36Å; L147-K212 WeakPolarHBondContact O-CE 3.24Å; L147-K212 PolarHBondContact O-NZ 2.78Å; L148-K212 HydrophobicContact CD2-CB 3.57Å; L148-K212 HydrophobicContact CD2-CD 3.96Å; L148-K212 HydrophobicContact CD2-CG 3.9Å; R153-K212 PolarHBondContact O-N 2.74Å; K212-S239 WeakPolarHBondContact O-CA 3.43Å; K212-Y240 PolarHBondContact O-N 3.48Å
213	I	98.7	Very high	98.2	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.8	170.2	-66.9	175.2	0	0	0	109.7	V143 Y144 L147 L148 R153 L154 M155 I215 Y240 M242	V143-I213 HydrophobicContact CG1-CD1 4.26Å; Y144-I213 HydrophobicContact CD1-CD1 4.19Å; L147-I213 HydrophobicContact CB-CD1 4.06Å; L147-I213 HydrophobicContact CD1-CD1 4.15Å; L148-I213 HydrophobicContact CD1-CD1 4.21Å; L148-I213 HydrophobicContact CD2-CB 4.29Å; L148-I213 HydrophobicContact CD2-CD1 3.82Å; L148-I213 HydrophobicContact CD2-CG1 3.78Å; L148-I213 HydrophobicContact CG-CD1 3.83Å; L148-I213 HydrophobicContact CG-CG1 4.35Å; R153-I213 PolarHBondContact O-N 3.32Å; L154-I213 CarbonylContact C-O 3.47Å; L154-I213 VanDerWaalsContact CA-O 3.23Å; L154-I213 WeakPolarHBondContact CA-O 3.5Å; L154-I213 HydrophobicContact CB-CB 4.32Å; M155-I213 PolarHBondContact N-O 3Å; I213-I215 HydrophobicContact CG2-CG1 3.93Å; I213-Y240 WeakPolarHBondContact CA-O 3.48Å; I213-M242 HydrophobicContact CG2-CB 3.77Å; I213-M242 HydrophobicContact CG2-SD 4.42Å
214	I	98.9	Very high	98.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128	162.8	-58.8	177.3	0	0	0	107.5	M155 Y188 L202 A206 P211 F230 I233 V237 Y240 M242	M155-I214 HydrophobicContact CB-CG1 4.49Å; Y188-I214 HydrophobicContact CE1-CG2 4.44Å; L202-I214 HydrophobicContact CD2-CD1 4.3Å; L202-I214 HydrophobicContact CD2-CG2 4.32Å; A206-I214 HydrophobicContact CB-CD1 4.08Å; P211-I214 HydrophobicContact CB-CG1 4.27Å; P211-I214 HydrophobicContact CG-CD1 4.01Å; P211-I214 HydrophobicContact CG-CG1 3.69Å; I214-F230 HydrophobicContact CG2-CD1 3.95Å; I214-F230 HydrophobicContact CG2-CE1 4.1Å; I214-I233 HydrophobicContact CD1-CG2 3.94Å; I214-V237 HydrophobicContact CD1-CG2 4.19Å; I214-Y240 PolarHBondContact N-O 3.14Å; I214-M242 PolarHBondContact O-N 2.94Å
215	I	98.9	Very high	98.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	122	-177.3	-56.2	164.3	0	0	0	109.2	Y144 L154 M155 H167 Y188 I213 M242 D244	Y144-I215 HydrophobicContact CE1-CD1 3.95Å; Y144-I215 WeakPolarHBondContact OH-CD1 3.45Å; L154-I215 HydrophobicContact CD1-CD1 3.92Å; M155-I215 PolarHBondContact O-N 3.3Å; H167-I215 HydrophobicContact CB-CD1 3.86Å; Y188-I215 WeakPolarHBondContact CE1-O 3.39Å; Y188-I215 PolarHBondContact OH-O 2.96Å; I213-I215 HydrophobicContact CG2-CG1 3.93Å; I215-M242 CarbonylContact C-O 3.52Å; I215-M242 VanDerWaalsContact CA-O 3.23Å; I215-M242 WeakPolarHBondContact CA-O 3.35Å; I215-M242 HydrophobicContact CG1-SD 4.4Å; I215-D244 HydrophobicContact CG2-CB 4.33Å
216	A	98.9	Very high	98.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	85.2	169	0	0	0	0	0	109.4	L225 Y227 F230 L241 M242 A243 D244	A216-L225 HydrophobicContact CB-CD1 4.15Å; A216-Y227 HydrophobicContact CB-CD1 4.03Å; A216-Y227 HydrophobicContact CB-CE1 3.95Å; A216-F230 HydrophobicContact CB-CB 4.46Å; A216-F230 HydrophobicContact CB-CD1 3.96Å; A216-F230 HydrophobicContact CB-CD2 3.66Å; A216-F230 HydrophobicContact CB-CE1 4.02Å; A216-F230 HydrophobicContact CB-CE2 3.76Å; A216-F230 HydrophobicContact CB-CG 3.79Å; A216-F230 HydrophobicContact CB-CZ 3.94Å; A216-L241 HydrophobicContact CB-CD1 3.83Å; A216-M242 PolarHBondContact N-O 3.39Å; A216-A243 VanDerWaalsContact O-CA 3.3Å; A216-A243 WeakPolarHBondContact O-CA 3.3Å; A216-D244 PolarHBondContact O-N 3.02Å
217	G	97.8	Very high	98.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	149.1	-177.6	0	0	0	0	0	112.3	D244	G217-D244 WeakPolarHBondContact CA-O 3.31Å
218	V	97.4	Very high	98.2	Very high	17 Å²	17	38 Å²	38	10%	0.103	19%	0.186	C	C	.	.			trans	-143.2	146.6	-167.2	-64.2	0	0	0	0	111.1	L157 H221 L225	L157-V218 HydrophobicContact CD2-CG1 3.66Å; V218-H221 HydrophobicContact CB-CB 3.76Å; V218-H221 HydrophobicContact CG1-CB 3.77Å; V218-H221 HydrophobicContact CG2-CB 3.9Å; V218-L225 HydrophobicContact CG1-CD1 4.36Å; V218-L225 HydrophobicContact CG1-CD2 4.06Å
219	S	97	Very high	98.2	Very high	16 Å²	16	38 Å²	38	11%	0.112	17%	0.167	C	C	.	.	S	Bend	trans	-105.3	-24.7	168.5	-68.2	0	0	0	0	113.1	G162 H164 H247 R414	G162-S219 PolarHBondContact O-N 3.32Å; H164-S219 WeakPolarHBondContact CB-OG 3.42Å; H164-S219 PolarHBondContact CD2-OG 3.48Å; S219-H247 PolarHBondContact O-CE1 3.47Å; S219-R414 PolarHBondContact O-NH1 3.22Å
220	C	97.1	Very high	98.2	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.027	16%	0.159	C	C	.	.	S	Bend	trans	-144.7	78.2	177.8	-165.9	0	0	0	0	110.9	G162 N399 R414	G162-C220 VanDerWaalsContact CA-O 3.24Å; G162-C220 WeakPolarHBondContact CA-O 3.19Å; G162-C220 PolarHBondContact O-N 3.3Å; C220-N399 PolarHBondContact SG-ND2 3.34Å; C220-N399 VanDerWaalsContact SG-ND2 3.37Å; C220-R414 HydrophobicContact CB-CG 4.5Å; C220-R414 WeakPolarHBondContact SG-CD 3.39Å; C220-R414 VanDerWaalsContact SG-CG 3.6Å
221	H	97.1	Very high	98.2	Very high	10 Å²	10	31.7 Å²	31.7	5%	0.046	14%	0.142	C	C	.	.			trans	-146.8	125.3	173	-167.2	71.9	0	0	0	108.2	G195 V218 R223 N368	G195-H221 PolarHBondContact O-CE1 3.34Å; G195-H221 VanDerWaalsContact O-CE1 3.23Å; V218-H221 HydrophobicContact CB-CB 3.76Å; V218-H221 HydrophobicContact CG1-CB 3.77Å; V218-H221 HydrophobicContact CG2-CB 3.9Å; H221-R223 VanDerWaalsContact C-N 3.34Å; H221-N368 PolarHBondContact O-ND2 2.92Å
222	S	97.5	Very high	98.2	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.021	16%	0.162	C	C	.	.			trans	-87.7	-0.8	-170.4	59.8	0	0	0	0	113.9	T363 G365 T366 D367 I370	S222-T363 PolarHBondContact OG-OG1 3.05Å; S222-G365 PolarHBondContact OG-O 3.28Å; S222-G365 VanDerWaalsContact OG-O 3.06Å; S222-T366 PolarHBondContact O-OG1 3.33Å; S222-D367 PolarHBondContact O-N 3.24Å; S222-I370 WeakPolarHBondContact CB-O 3.49Å
223	R	98.4	Very high	98.2	Very high	53 Å²	53	29.9 Å²	29.9	20%	0.2	14%	0.142	C	C	.	.	S	Bend	trans	-111	159	-176	-57.4	-62.7	-179.4	178.7	-0.3	112.4	L196 H221 T363 D367	L196-R223 HydrophobicContact CD2-CB 4.38Å; L196-R223 HydrophobicContact CD2-CG 3.77Å; H221-R223 VanDerWaalsContact C-N 3.34Å; R223-T363 HydrophobicContact CG-CG2 3.97Å; R223-T363 PolarHBondContact NE-OG1 3.39Å; R223-T363 PolarHBondContact NH2-O 2.8Å; R223-T363 PolarHBondContact NH2-OG1 3.23Å; R223-D367 WeakPolarHBondContact CD-OD2 3.4Å; R223-D367 IonicContact CZ-OD2 3.46Å; R223-D367 IonicContact NE-OD2 2.66Å; R223-D367 IonicContact NH1-OD1 2.75Å; R223-D367 PolarHBondContact NH1-OD1 3.05Å; R223-D367 IonicContact NH1-OD2 3.71Å; R223-D367 PolarHBondContact NH1-OD2 3Å
224	H	98.3	Very high	98.2	Very high	74 Å²	74	29.8 Å²	29.8	34%	0.343	14%	0.142	S	C	.	.			trans	-67.4	146.8	170.6	-62.3	-32.6	0	0	0	111.3	V257 P258 D367	H224-V257 VanDerWaalsContact CE1-CG1 3.48Å; H224-V257 WeakPolarHBondContact CE1-CG1 3.48Å; H224-P258 HydrophobicContact CB-CG 4.35Å; H224-P258 WeakPolarHBondContact NE2-CD 3.42Å; H224-D367 PolarHBondContact CE1-O 2.78Å
225	L	98.6	Very high	98.1	Very high	12 Å²	12	34 Å²	34	6%	0.063	16%	0.164	C	C	.	.			trans	-86.1	138.1	173.2	-58.2	-175.1	0	0	0	109.9	I197 A216 V218 Y227 F230	I197-L225 HydrophobicContact CD1-CD2 3.41Å; I197-L225 VanDerWaalsContact CD1-CD2 3.41Å; A216-L225 HydrophobicContact CB-CD1 4.15Å; V218-L225 HydrophobicContact CG1-CD1 4.36Å; V218-L225 HydrophobicContact CG1-CD2 4.06Å; L225-Y227 VanDerWaalsContact C-N 3.29Å; L225-Y227 HydrophobicContact CB-CD1 4.27Å; L225-Y227 HydrophobicContact CB-CE1 3.88Å; L225-Y227 HydrophobicContact CB-CE2 4.35Å; L225-Y227 HydrophobicContact CD1-CE1 4.01Å; L225-Y227 PolarHBondContact O-N 3.37Å; L225-F230 HydrophobicContact CB-CE2 4.16Å; L225-F230 HydrophobicContact CD1-CE2 4.43Å; L225-F230 HydrophobicContact CD2-CE2 4.5Å
226	D	98.4	Very high	98	Very high	78 Å²	78	37.6 Å²	37.6	42%	0.417	18%	0.183	S	C	.	.			trans	-80.5	80.7	172.2	-172.3	-16.4	0	0	0	109.5	Y199 K228 R229 F230	Y199-D226 HydrophobicContact CE1-CB 4.07Å; Y199-D226 HydrophobicContact CE2-CB 4.32Å; Y199-D226 PolarHBondContact OH-N 3.15Å; D226-K228 PolarHBondContact O-N 3.29Å; D226-K228 WeakPolarHBondContact OD1-CB 3.16Å; D226-K228 PolarHBondContact OD1-N 2.86Å; D226-R229 HydrophobicContact CB-CB 3.9Å; D226-R229 PolarHBondContact O-N 3.3Å; D226-R229 VanDerWaalsContact O-N 3.11Å; D226-R229 PolarHBondContact OD1-N 2.88Å; D226-R229 WeakPolarHBondContact OD2-CB 3.49Å; D226-F230 WeakPolarHBondContact O-CD2 3.41Å; D226-F230 PolarHBondContact O-N 3.08Å
227	Y	98.7	Very high	98	Very high	10 Å²	10	38.3 Å²	38.3	4%	0.039	19%	0.188	C	C	.	.	H	α-helix	trans	-59.8	-28.9	179.9	-64.3	-61.9	0	0	0	113	A216 L225 R231 A243 P260	A216-Y227 HydrophobicContact CB-CD1 4.03Å; A216-Y227 HydrophobicContact CB-CE1 3.95Å; L225-Y227 VanDerWaalsContact C-N 3.29Å; L225-Y227 HydrophobicContact CB-CD1 4.27Å; L225-Y227 HydrophobicContact CB-CE1 3.88Å; L225-Y227 HydrophobicContact CB-CE2 4.35Å; L225-Y227 HydrophobicContact CD1-CE1 4.01Å; L225-Y227 PolarHBondContact O-N 3.37Å; Y227-R231 WeakPolarHBondContact O-CB 3.44Å; Y227-R231 PolarHBondContact O-N 3.12Å; Y227-A243 HydrophobicContact CE1-CB 4.18Å; Y227-P260 HydrophobicContact CD1-CB 3.94Å; Y227-P260 HydrophobicContact CD2-CB 4.11Å; Y227-P260 HydrophobicContact CE1-CB 3.74Å; Y227-P260 HydrophobicContact CE2-CB 3.9Å; Y227-P260 HydrophobicContact CG-CB 4.13Å
228	K	98.5	Very high	97.9	Very high	147 Å²	147	41.4 Å²	41.4	64%	0.639	22%	0.22	S	C	*	.	H	α-helix	trans	-67.9	-44.4	175.4	-176.7	-178.2	178	-178.6	0	110.4	D226 R231 S232	D226-K228 PolarHBondContact O-N 3.29Å; D226-K228 WeakPolarHBondContact OD1-CB 3.16Å; D226-K228 PolarHBondContact OD1-N 2.86Å; K228-R231 PolarHBondContact O-N 3.08Å; K228-S232 PolarHBondContact O-N 3.37Å
229	R	98.5	Very high	97.9	Very high	86 Å²	86	40.9 Å²	40.9	33%	0.325	22%	0.217	S	C	.	.	H	α-helix	trans	-65	-43.7	175.1	-172.8	60.8	170.6	178.7	-3.7	111.5	Y199 D200 D226 R231 S232 I233	Y199-R229 HydrophobicContact CD1-CB 4.12Å; Y199-R229 HydrophobicContact CD1-CG 3.68Å; Y199-R229 HydrophobicContact CE1-CB 4.42Å; Y199-R229 HydrophobicContact CE1-CG 4.46Å; Y199-R229 HydrophobicContact CG-CG 3.85Å; D200-R229 IonicContact OD1-CZ 2.92Å; D200-R229 IonicContact OD1-NH2 3.78Å; D200-R229 PolarHBondContact OD1-NH2 3.45Å; D226-R229 HydrophobicContact CB-CB 3.9Å; D226-R229 PolarHBondContact O-N 3.3Å; D226-R229 VanDerWaalsContact O-N 3.11Å; D226-R229 PolarHBondContact OD1-N 2.88Å; D226-R229 WeakPolarHBondContact OD2-CB 3.49Å; R229-R231 VanDerWaalsContact C-N 3.31Å; R229-R231 PolarHBondContact O-N 2.75Å; R229-S232 PolarHBondContact O-N 2.92Å; R229-I233 HydrophobicContact CG-CD1 4.18Å; R229-I233 VanDerWaalsContact O-CG1 3.31Å; R229-I233 WeakPolarHBondContact O-CG1 3.32Å; R229-I233 PolarHBondContact O-N 3.02Å
230	F	98.8	Very high	97.9	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-54.9	-46.9	171.9	-88.6	-72.4	0	0	0	112.1	Y188 I197 Y199 L202 I214 A216 L225 D226 I233 C234 L241	Y188-F230 HydrophobicContact CE1-CE1 4.15Å; Y188-F230 HydrophobicContact CE2-CE1 4.43Å; Y188-F230 HydrophobicContact CE2-CZ 4.17Å; Y188-F230 AromaticContact CZ-CE1 3.85Å; Y188-F230 AromaticContact CZ-CZ 3.87Å; Y188-F230 WeakPolarHBondContact OH-CZ 3.36Å; I197-F230 HydrophobicContact CD1-CZ 4.34Å; Y199-F230 AromaticContact CE1-CD2 3.77Å; Y199-F230 HydrophobicContact CE1-CD2 3.77Å; Y199-F230 AromaticContact CE1-CE2 3.53Å; Y199-F230 HydrophobicContact CE1-CE2 3.53Å; Y199-F230 HydrophobicContact CE1-CG 4.47Å; Y199-F230 HydrophobicContact CE1-CZ 4.08Å; L202-F230 HydrophobicContact CD1-CD1 4.14Å; L202-F230 HydrophobicContact CD1-CE1 3.45Å; L202-F230 VanDerWaalsContact CD1-CE1 3.45Å; L202-F230 HydrophobicContact CD1-CZ 4.08Å; I214-F230 HydrophobicContact CG2-CD1 3.95Å; I214-F230 HydrophobicContact CG2-CE1 4.1Å; A216-F230 HydrophobicContact CB-CB 4.46Å; A216-F230 HydrophobicContact CB-CD1 3.96Å; A216-F230 HydrophobicContact CB-CD2 3.66Å; A216-F230 HydrophobicContact CB-CE1 4.02Å; A216-F230 HydrophobicContact CB-CE2 3.76Å; A216-F230 HydrophobicContact CB-CG 3.79Å; A216-F230 HydrophobicContact CB-CZ 3.94Å; L225-F230 HydrophobicContact CB-CE2 4.16Å; L225-F230 HydrophobicContact CD1-CE2 4.43Å; L225-F230 HydrophobicContact CD2-CE2 4.5Å; D226-F230 WeakPolarHBondContact O-CD2 3.41Å; D226-F230 PolarHBondContact O-N 3.08Å; F230-I233 PolarHBondContact O-N 3.28Å; F230-C234 PolarHBondContact O-N 2.84Å; F230-C234 PolarHBondContact O-SG 3.42Å; F230-L241 HydrophobicContact CB-CD1 3.82Å; F230-L241 HydrophobicContact CB-CD2 4.06Å; F230-L241 HydrophobicContact CD1-CD1 4.37Å; F230-L241 HydrophobicContact CG-CD1 4.31Å
231	R	98.2	Very high	98	Very high	52 Å²	52	42.8 Å²	42.8	20%	0.196	22%	0.221	C	C	.	.	H	α-helix	trans	-62	-46.7	179.2	175	58.9	-165.7	-127.4	16.7	111.8	Y227 K228 R229 I233 C234 D235 L241 H263 H265	Y227-R231 WeakPolarHBondContact O-CB 3.44Å; Y227-R231 PolarHBondContact O-N 3.12Å; K228-R231 PolarHBondContact O-N 3.08Å; R229-R231 VanDerWaalsContact C-N 3.31Å; R229-R231 PolarHBondContact O-N 2.75Å; R231-I233 VanDerWaalsContact C-N 3.26Å; R231-I233 PolarHBondContact O-N 3.31Å; R231-C234 WeakPolarHBondContact O-CB 3.45Å; R231-C234 PolarHBondContact O-N 2.99Å; R231-C234 VanDerWaalsContact O-N 3.12Å; R231-D235 IonicContact CZ-OD1 3.97Å; R231-D235 VanDerWaalsContact CZ-OD1 3.25Å; R231-D235 IonicContact CZ-OD2 2.78Å; R231-D235 IonicContact NE-OD1 2.61Å; R231-D235 PolarHBondContact NE-OD1 3.45Å; R231-D235 IonicContact NE-OD2 3.9Å; R231-D235 PolarHBondContact NE-OD2 3.35Å; R231-D235 IonicContact NH2-OD1 3.9Å; R231-D235 PolarHBondContact NH2-OD1 3.42Å; R231-D235 IonicContact NH2-OD2 2.8Å; R231-D235 PolarHBondContact O-N 3.48Å; R231-L241 HydrophobicContact CB-CD2 4Å; R231-H263 HydrophobicContact CB-CB 4.04Å; R231-H263 WeakPolarHBondContact CD-O 3.29Å; R231-H263 PolarHBondContact NH1-O 3.09Å; R231-H265 PolarHBondContact NH1-CE1 2.69Å; R231-H265 PolarHBondContact NH1-NE2 2.88Å; R231-H265 PolarHBondContact NH2-NE2 2.92Å
232	S	98.4	Very high	98.1	Very high	63 Å²	63	42.4 Å²	42.4	44%	0.441	22%	0.22	S	C	.	.	H	α-helix	trans	-57.4	-39.2	176.2	175.5	0	0	0	0	112.4	K228 R229 D236	K228-S232 PolarHBondContact O-N 3.37Å; R229-S232 PolarHBondContact O-N 2.92Å; S232-D236 PolarHBondContact O-N 3.15Å; S232-D236 VanDerWaalsContact O-N 3.08Å
233	I	98.6	Very high	98.2	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-69.3	-41.8	176.7	-64	168	0	0	0	110.9	Y199 L202 L203 A206 I214 R229 F230 R231 D235 D236 V237	Y199-I233 WeakPolarHBondContact O-CD1 3.33Å; L202-I233 HydrophobicContact CD2-CB 4.31Å; L202-I233 HydrophobicContact CD2-CD1 3.74Å; L202-I233 HydrophobicContact CD2-CG2 3.59Å; L203-I233 HydrophobicContact CB-CD1 4.08Å; L203-I233 HydrophobicContact CB-CG1 4.08Å; L203-I233 HydrophobicContact CB-CG2 4.34Å; L203-I233 HydrophobicContact CD1-CB 4.38Å; L203-I233 HydrophobicContact CD1-CG1 4.15Å; L203-I233 HydrophobicContact CD1-CG2 3.85Å; A206-I233 HydrophobicContact CB-CG2 4.17Å; I214-I233 HydrophobicContact CD1-CG2 3.94Å; R229-I233 HydrophobicContact CG-CD1 4.18Å; R229-I233 VanDerWaalsContact O-CG1 3.31Å; R229-I233 WeakPolarHBondContact O-CG1 3.32Å; R229-I233 PolarHBondContact O-N 3.02Å; F230-I233 PolarHBondContact O-N 3.28Å; R231-I233 VanDerWaalsContact C-N 3.26Å; R231-I233 PolarHBondContact O-N 3.31Å; I233-D235 VanDerWaalsContact C-N 3.34Å; I233-D235 PolarHBondContact O-N 2.87Å; I233-D236 PolarHBondContact O-N 2.78Å; I233-V237 WeakPolarHBondContact O-CG2 3.39Å; I233-V237 PolarHBondContact O-N 2.92Å
234	C	98.3	Very high	98.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.8	-44.6	175.8	-67.3	0	0	0	0	111.7	F230 R231 D236 V237 G238 S239 L241	F230-C234 PolarHBondContact O-N 2.84Å; F230-C234 PolarHBondContact O-SG 3.42Å; R231-C234 WeakPolarHBondContact O-CB 3.45Å; R231-C234 PolarHBondContact O-N 2.99Å; R231-C234 VanDerWaalsContact O-N 3.12Å; C234-D236 VanDerWaalsContact C-N 3.35Å; C234-D236 PolarHBondContact O-N 3.31Å; C234-V237 PolarHBondContact O-N 3.46Å; C234-G238 CarbonylContact O-C 3.43Å; C234-G238 WeakPolarHBondContact O-CA 3.25Å; C234-G238 PolarHBondContact O-N 3.45Å; C234-S239 WeakPolarHBondContact CB-O 3.29Å; C234-S239 PolarHBondContact O-N 2.95Å; C234-L241 HydrophobicContact CB-CB 4.41Å
235	D	96.6	Very high	98.2	Very high	88 Å²	88	36.9 Å²	36.9	47%	0.471	20%	0.197	S	C	.	.	H	α-helix	trans	-64	-38.8	177.4	-66.8	-34.4	0	0	0	111.7	R231 I233 V237	R231-D235 IonicContact CZ-OD1 3.97Å; R231-D235 VanDerWaalsContact CZ-OD1 3.25Å; R231-D235 IonicContact CZ-OD2 2.78Å; R231-D235 IonicContact NE-OD1 2.61Å; R231-D235 PolarHBondContact NE-OD1 3.45Å; R231-D235 IonicContact NE-OD2 3.9Å; R231-D235 PolarHBondContact NE-OD2 3.35Å; R231-D235 IonicContact NH2-OD1 3.9Å; R231-D235 PolarHBondContact NH2-OD1 3.42Å; R231-D235 IonicContact NH2-OD2 2.8Å; R231-D235 PolarHBondContact O-N 3.48Å; I233-D235 VanDerWaalsContact C-N 3.34Å; I233-D235 PolarHBondContact O-N 2.87Å; D235-V237 PolarHBondContact O-N 3.37Å
236	D	97.3	Very high	98.2	Very high	75 Å²	75	36.8 Å²	36.8	40%	0.401	20%	0.198	S	C	.	.	H	α-helix	trans	-62.7	-38.6	177.8	-178.9	82.4	0	0	0	113	L203 R207 S232 I233 C234	L203-D236 HydrophobicContact CD1-CB 4.37Å; L203-D236 WeakPolarHBondContact CD1-OD2 3.44Å; R207-D236 IonicContact CZ-OD1 3.37Å; R207-D236 IonicContact CZ-OD2 3.88Å; R207-D236 IonicContact NE-OD1 2.66Å; R207-D236 IonicContact NE-OD2 3.77Å; R207-D236 PolarHBondContact NE-OD2 2.99Å; R207-D236 VanDerWaalsContact NH2-CG 3.33Å; R207-D236 IonicContact NH2-OD1 3.4Å; R207-D236 PolarHBondContact NH2-OD1 2.71Å; R207-D236 IonicContact NH2-OD2 3.71Å; R207-D236 PolarHBondContact NH2-OD2 2.92Å; R207-D236 VanDerWaalsContact NH2-OD2 3.08Å; S232-D236 PolarHBondContact O-N 3.15Å; S232-D236 VanDerWaalsContact O-N 3.08Å; I233-D236 PolarHBondContact O-N 2.78Å; C234-D236 VanDerWaalsContact C-N 3.35Å; C234-D236 PolarHBondContact O-N 3.31Å
237	V	97.8	Very high	98.2	Very high	15 Å²	15	33.4 Å²	33.4	9%	0.091	18%	0.179	C	C	.	.	H	α-helix	trans	-102	-2.6	-176.8	-53.2	0	0	0	0	114.2	A206 R207 P211 I214 I233 C234 D235 S239	A206-V237 HydrophobicContact CB-CG1 4.02Å; A206-V237 HydrophobicContact CB-CG2 4.28Å; R207-V237 HydrophobicContact CG-CG1 3.83Å; P211-V237 HydrophobicContact CG-CG2 4.44Å; I214-V237 HydrophobicContact CD1-CG2 4.19Å; I233-V237 WeakPolarHBondContact O-CG2 3.39Å; I233-V237 PolarHBondContact O-N 2.92Å; C234-V237 PolarHBondContact O-N 3.46Å; D235-V237 PolarHBondContact O-N 3.37Å; V237-S239 WeakPolarHBondContact CG2-OG 3.4Å
238	G	96	Very high	98.2	Very high	66 Å²	66	34 Å²	34	68%	0.68	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	75	32.2	-178.9	0	0	0	0	0	114.6	C234	C234-G238 CarbonylContact O-C 3.43Å; C234-G238 WeakPolarHBondContact O-CA 3.25Å; C234-G238 PolarHBondContact O-N 3.45Å
239	S	97.6	Very high	98.2	Very high	6 Å²	6	27 Å²	27	4%	0.042	15%	0.152	C	C	.	.			trans	-96.1	160.9	177.1	-55	0	0	0	0	113	P211 K212 C234 V237	P211-S239 PolarHBondContact O-OG 3.23Å; K212-S239 WeakPolarHBondContact O-CA 3.43Å; C234-S239 WeakPolarHBondContact CB-O 3.29Å; C234-S239 PolarHBondContact O-N 2.95Å; V237-S239 WeakPolarHBondContact CG2-OG 3.4Å
240	Y	98	Very high	98.2	Very high	59 Å²	59	22.9 Å²	22.9	23%	0.231	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	149.2	158.7	-62	-58.2	0	0	0	111.4	L147 K212 I213 I214 H265 L290 F300	L147-Y240 HydrophobicContact CD1-CD2 3.98Å; L147-Y240 HydrophobicContact CD1-CE2 4.4Å; K212-Y240 PolarHBondContact O-N 3.48Å; I213-Y240 WeakPolarHBondContact CA-O 3.48Å; I214-Y240 PolarHBondContact N-O 3.14Å; Y240-H265 HydrophobicContact CD1-CB 4.25Å; Y240-H265 AromaticContact CD1-CG 3.96Å; Y240-L290 HydrophobicContact CE1-CD1 4.03Å; Y240-F300 HydrophobicContact CD1-CE1 4.25Å; Y240-F300 AromaticContact CD1-CZ 3.69Å; Y240-F300 HydrophobicContact CD1-CZ 3.69Å; Y240-F300 HydrophobicContact CD2-CE1 4.43Å; Y240-F300 AromaticContact CE1-CE1 3.92Å; Y240-F300 HydrophobicContact CE1-CE1 3.92Å; Y240-F300 AromaticContact CE1-CZ 3.57Å; Y240-F300 HydrophobicContact CE1-CZ 3.57Å; Y240-F300 HydrophobicContact CE2-CE1 4.11Å; Y240-F300 HydrophobicContact CE2-CZ 4.5Å; Y240-F300 HydrophobicContact CG-CE1 4.48Å; Y240-F300 HydrophobicContact CG-CZ 4.21Å; Y240-F300 AromaticContact CZ-CE1 3.84Å
241	L	98.7	Very high	98.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	114.9	173.4	176	55.9	0	0	0	107.8	A216 F230 R231 C234 H263 A264 H265 I266	A216-L241 HydrophobicContact CB-CD1 3.83Å; F230-L241 HydrophobicContact CB-CD1 3.82Å; F230-L241 HydrophobicContact CB-CD2 4.06Å; F230-L241 HydrophobicContact CD1-CD1 4.37Å; F230-L241 HydrophobicContact CG-CD1 4.31Å; R231-L241 HydrophobicContact CB-CD2 4Å; C234-L241 HydrophobicContact CB-CB 4.41Å; L241-H263 HydrophobicContact CD2-CB 4.23Å; L241-A264 HydrophobicContact CG-CB 4.38Å; L241-H265 PolarHBondContact N-ND1 3.31Å; L241-H265 WeakPolarHBondContact O-CB 3.36Å; L241-H265 PolarHBondContact O-N 3.32Å; L241-I266 PolarHBondContact O-N 2.98Å
242	M	98.9	Very high	98.3	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.01	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.9	172.6	175.7	178.9	158.3	0	0	108.9	N140 V143 Y144 I213 I214 I215 A216 I266 T268	N140-M242 HydrophobicContact CB-CE 4Å; N140-M242 WeakPolarHBondContact OD1-CE 3.47Å; V143-M242 HydrophobicContact CB-SD 4.21Å; V143-M242 HydrophobicContact CG1-SD 3.69Å; Y144-M242 HydrophobicContact CD1-SD 4.35Å; Y144-M242 HydrophobicContact CE1-CE 3.97Å; Y144-M242 HydrophobicContact CE1-SD 3.6Å; Y144-M242 VanDerWaalsContact CE1-SD 3.6Å; I213-M242 HydrophobicContact CG2-CB 3.77Å; I213-M242 HydrophobicContact CG2-SD 4.42Å; I214-M242 PolarHBondContact O-N 2.94Å; I215-M242 CarbonylContact C-O 3.52Å; I215-M242 VanDerWaalsContact CA-O 3.23Å; I215-M242 WeakPolarHBondContact CA-O 3.35Å; I215-M242 HydrophobicContact CG1-SD 4.4Å; A216-M242 PolarHBondContact N-O 3.39Å; M242-I266 CarbonylContact C-O 3.57Å; M242-I266 WeakPolarHBondContact CA-O 3.08Å; M242-I266 HydrophobicContact CG-CG2 4.26Å; M242-T268 HydrophobicContact CE-CG2 3.69Å; M242-T268 WeakPolarHBondContact CE-OG1 3.49Å
243	A	98.9	Very high	98.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	120.5	172.1	0	0	0	0	0	110.1	A216 Y227 I245 P260 A264 I266 V267 T268	A216-A243 VanDerWaalsContact O-CA 3.3Å; A216-A243 WeakPolarHBondContact O-CA 3.3Å; Y227-A243 HydrophobicContact CE1-CB 4.18Å; A243-I245 HydrophobicContact CB-CG2 4.31Å; A243-P260 HydrophobicContact CB-CB 3.55Å; A243-P260 HydrophobicContact CB-CG 4.15Å; A243-A264 HydrophobicContact CB-CB 4.06Å; A243-I266 PolarHBondContact N-O 2.71Å; A243-V267 HydrophobicContact CB-CG1 4.41Å; A243-V267 HydrophobicContact CB-CG2 4.26Å; A243-V267 CarbonylContact O-C 3.59Å; A243-V267 VanDerWaalsContact O-CA 3.25Å; A243-V267 WeakPolarHBondContact O-CA 3.44Å; A243-T268 PolarHBondContact O-N 3.33Å
244	D	98.9	Very high	98.3	Very high	14 Å²	14	19.2 Å²	19.2	8%	0.075	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	102.1	169.4	-179.2	-15.2	0	0	0	108.1	N140 H167 I215 A216 G217 A246	N140-D244 PolarHBondContact ND2-OD2 2.91Å; H167-D244 IonicContact CD2-OD2 3.19Å; H167-D244 IonicContact CE1-OD2 2.79Å; H167-D244 IonicContact NE2-OD2 3.41Å; H167-D244 PolarHBondContact NE2-OD2 3Å; I215-D244 HydrophobicContact CG2-CB 4.33Å; A216-D244 PolarHBondContact O-N 3.02Å; G217-D244 WeakPolarHBondContact CA-O 3.31Å; D244-A246 WeakPolarHBondContact OD1-CB 3.42Å; D244-A246 PolarHBondContact OD1-N 3.16Å
245	I	98.8	Very high	98.3	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	15%	0.152	C	C	.	.			trans	-97.9	17.6	-177.1	64.9	173.6	0	0	0	112.8	F120 A243 H247 I248 G249 V252 P260 F261 V267 T268	F120-I245 HydrophobicContact CE1-CD1 3.98Å; F120-I245 HydrophobicContact CZ-CD1 4.5Å; A243-I245 HydrophobicContact CB-CG2 4.31Å; I245-H247 PolarHBondContact O-N 3.43Å; I245-I248 HydrophobicContact CB-CD1 4.45Å; I245-I248 HydrophobicContact CB-CG1 3.85Å; I245-I248 HydrophobicContact CG2-CD1 4.22Å; I245-I248 HydrophobicContact CG2-CG1 4.16Å; I245-I248 CarbonylContact O-C 3.6Å; I245-I248 PolarHBondContact O-N 3.3Å; I245-G249 WeakPolarHBondContact O-CA 3.4Å; I245-G249 PolarHBondContact O-N 3.15Å; I245-V252 HydrophobicContact CD1-CB 4.36Å; I245-V252 HydrophobicContact CD1-CG1 4.33Å; I245-V252 HydrophobicContact CD1-CG2 4.44Å; I245-P260 HydrophobicContact CG2-CB 4.41Å; I245-P260 HydrophobicContact CG2-CG 3.7Å; I245-F261 HydrophobicContact CD1-CE2 4.21Å; I245-V267 HydrophobicContact CD1-CG1 3.62Å; I245-V267 HydrophobicContact CG1-CG1 3.73Å; I245-V267 HydrophobicContact CG2-CG1 4.21Å; I245-T268 PolarHBondContact N-O 3.49Å
246	A	98.8	Very high	98.4	Very high	10 Å²	10	19.7 Å²	19.7	8%	0.083	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45	-43.5	-175.1	0	0	0	0	0	114.1	D244 T270 K273	D244-A246 WeakPolarHBondContact OD1-CB 3.42Å; D244-A246 PolarHBondContact OD1-N 3.16Å; A246-T270 HydrophobicContact CB-CG2 4.12Å; A246-T270 WeakPolarHBondContact CB-OG1 3.36Å; A246-T270 PolarHBondContact O-OG1 3.26Å; A246-K273 HydrophobicContact CB-CD 4.44Å; A246-K273 WeakPolarHBondContact O-CB 3.42Å; A246-K273 WeakPolarHBondContact O-CD 3.33Å
247	H	98.7	Very high	98.5	Very high	6 Å²	6	16.8 Å²	16.8	3%	0.028	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-35.2	-179.9	-98.4	-91.1	0	0	0	113.4	S219 I245 S274 H369 I370	S219-H247 PolarHBondContact O-CE1 3.47Å; I245-H247 PolarHBondContact O-N 3.43Å; H247-S274 VanDerWaalsContact O-CB 3.31Å; H247-S274 WeakPolarHBondContact O-CB 3.44Å; H247-S274 PolarHBondContact O-OG 3Å; H247-H369 AromaticContact ND1-CE1 3.7Å; H247-H369 AromaticContact ND1-NE2 3.51Å; H247-H369 PolarHBondContact O-CE1 3.24Å; H247-H369 PolarHBondContact O-NE2 3.32Å; H247-I370 HydrophobicContact CB-CD1 4.49Å
248	I	98.7	Very high	98.5	Very high	22 Å²	22	19.1 Å²	19.1	11%	0.113	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	6.8	-173.9	64.4	168.3	0	0	0	113.7	I245 G250 L251 V252	I245-I248 HydrophobicContact CB-CD1 4.45Å; I245-I248 HydrophobicContact CB-CG1 3.85Å; I245-I248 HydrophobicContact CG2-CD1 4.22Å; I245-I248 HydrophobicContact CG2-CG1 4.16Å; I245-I248 CarbonylContact O-C 3.6Å; I245-I248 PolarHBondContact O-N 3.3Å; I248-G250 VanDerWaalsContact C-N 3.26Å; I248-G250 PolarHBondContact O-N 2.97Å; I248-G250 VanDerWaalsContact O-N 3.17Å; I248-L251 HydrophobicContact CB-CB 4.43Å; I248-L251 HydrophobicContact CB-CD1 4.18Å; I248-L251 HydrophobicContact CG2-CD1 4.06Å; I248-L251 WeakPolarHBondContact O-CA 3.49Å; I248-L251 WeakPolarHBondContact O-CB 3.44Å; I248-L251 PolarHBondContact O-N 3.11Å; I248-V252 HydrophobicContact CD1-CG2 3.85Å; I248-V252 HydrophobicContact CG1-CG2 3.96Å; I248-V252 WeakPolarHBondContact O-CG2 3.23Å; I248-V252 PolarHBondContact O-N 2.79Å
249	G	98.5	Very high	98.6	Very high	0 Å²	0	18 Å²	18	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-54.5	-39	-173.8	0	0	0	0	0	113.8	F120 I245 A253 S274	F120-G249 WeakPolarHBondContact CE1-O 3.38Å; I245-G249 WeakPolarHBondContact O-CA 3.4Å; I245-G249 PolarHBondContact O-N 3.15Å; G249-A253 WeakPolarHBondContact O-CB 3.36Å; G249-A253 PolarHBondContact O-N 3.46Å; G249-S274 PolarHBondContact N-OG 3.11Å
250	G	98.8	Very high	98.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-69.2	-38.6	173.8	0	0	0	0	0	113.8	I248 A253 A254 S274	I248-G250 VanDerWaalsContact C-N 3.26Å; I248-G250 PolarHBondContact O-N 2.97Å; I248-G250 VanDerWaalsContact O-N 3.17Å; G250-A253 PolarHBondContact O-N 2.91Å; G250-A254 WeakPolarHBondContact O-CB 3.37Å; G250-A254 PolarHBondContact O-N 3.31Å; G250-S274 PolarHBondContact N-OG 3.41Å
251	L	98.8	Very high	98.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65.6	-39.9	176.7	-60	173	0	0	0	111.3	I248 G255 V256 V257 Q340 V343 L344 N368 H369	I248-L251 HydrophobicContact CB-CB 4.43Å; I248-L251 HydrophobicContact CB-CD1 4.18Å; I248-L251 HydrophobicContact CG2-CD1 4.06Å; I248-L251 WeakPolarHBondContact O-CA 3.49Å; I248-L251 WeakPolarHBondContact O-CB 3.44Å; I248-L251 PolarHBondContact O-N 3.11Å; L251-G255 PolarHBondContact O-N 3.39Å; L251-V256 HydrophobicContact CB-CG2 4.01Å; L251-V256 HydrophobicContact CD2-CG2 3.85Å; L251-V256 WeakPolarHBondContact O-CG2 3.36Å; L251-V256 PolarHBondContact O-N 3.41Å; L251-V256 VanDerWaalsContact O-N 3.12Å; L251-V257 HydrophobicContact CB-CB 4.41Å; L251-V257 HydrophobicContact CB-CG1 3.93Å; L251-V257 HydrophobicContact CB-CG2 3.58Å; L251-V257 HydrophobicContact CD1-CG1 4.18Å; L251-Q340 HydrophobicContact CD2-CB 4.12Å; L251-Q340 VanDerWaalsContact CD2-OE1 3.24Å; L251-V343 HydrophobicContact CD2-CG1 4.32Å; L251-L344 HydrophobicContact CD1-CD2 4.09Å; L251-L344 HydrophobicContact CD2-CD2 3.89Å; L251-L344 HydrophobicContact CD2-CG 4.03Å; L251-N368 HydrophobicContact CD1-CB 4.2Å; L251-H369 HydrophobicContact CD1-CB 4.42Å
252	V	98.8	Very high	98.6	Very high	10 Å²	10	19.3 Å²	19.3	6%	0.061	14%	0.137	C	C	.	.	H	α-helix	trans	-67.3	-46.1	175.9	175.9	0	0	0	0	110.5	F120 I245 I248 A254 G255 V257 F261	F120-V252 HydrophobicContact CD1-CG1 3.92Å; F120-V252 HydrophobicContact CE1-CB 4.24Å; F120-V252 HydrophobicContact CE1-CG1 4.08Å; I245-V252 HydrophobicContact CD1-CB 4.36Å; I245-V252 HydrophobicContact CD1-CG1 4.33Å; I245-V252 HydrophobicContact CD1-CG2 4.44Å; I248-V252 HydrophobicContact CD1-CG2 3.85Å; I248-V252 HydrophobicContact CG1-CG2 3.96Å; I248-V252 WeakPolarHBondContact O-CG2 3.23Å; I248-V252 PolarHBondContact O-N 2.79Å; V252-A254 VanDerWaalsContact C-N 3.27Å; V252-A254 PolarHBondContact O-N 3.12Å; V252-G255 PolarHBondContact O-N 3.01Å; V252-V257 HydrophobicContact CG2-CG2 3.81Å; V252-F261 HydrophobicContact CG1-CD2 4.29Å; V252-F261 HydrophobicContact CG1-CE2 4.12Å
253	A	98.7	Very high	98.6	Very high	18 Å²	18	22 Å²	22	15%	0.149	15%	0.149	C	C	.	.	H	α-helix	trans	-59.5	-37.9	177.5	0	0	0	0	0	112.3	A119 F120 G249 G250 G255 L275	A119-A253 WeakPolarHBondContact O-CA 3.25Å; F120-A253 HydrophobicContact CD1-CB 4.15Å; F120-A253 HydrophobicContact CE1-CB 3.79Å; F120-A253 HydrophobicContact CZ-CB 4.05Å; G249-A253 WeakPolarHBondContact O-CB 3.36Å; G249-A253 PolarHBondContact O-N 3.46Å; G250-A253 PolarHBondContact O-N 2.91Å; A253-G255 VanDerWaalsContact C-N 3.26Å; A253-G255 PolarHBondContact O-N 3.28Å; A253-L275 HydrophobicContact CB-CD1 3.86Å
254	A	98.7	Very high	98.6	Very high	12 Å²	12	22 Å²	22	10%	0.099	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-3.8	175.8	0	0	0	0	0	114.6	G250 V252 V256 F336 V337 Q340	G250-A254 WeakPolarHBondContact O-CB 3.37Å; G250-A254 PolarHBondContact O-N 3.31Å; V252-A254 VanDerWaalsContact C-N 3.27Å; V252-A254 PolarHBondContact O-N 3.12Å; A254-V256 VanDerWaalsContact C-N 3.26Å; A254-V256 HydrophobicContact CB-CG1 4.24Å; A254-V256 HydrophobicContact CB-CG2 4.29Å; A254-V256 PolarHBondContact O-N 3.47Å; A254-F336 HydrophobicContact CB-CD1 4.33Å; A254-F336 HydrophobicContact CB-CE1 4.47Å; A254-V337 HydrophobicContact CB-CB 4.48Å; A254-V337 HydrophobicContact CB-CG2 4.15Å; A254-Q340 HydrophobicContact CB-CB 3.67Å; A254-Q340 HydrophobicContact CB-CG 3.58Å
255	G	98.5	Very high	98.5	Very high	63 Å²	63	21.5 Å²	21.5	65%	0.649	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.7	21.8	-179.6	0	0	0	0	0	114.8	L251 V252 A253	L251-G255 PolarHBondContact O-N 3.39Å; V252-G255 PolarHBondContact O-N 3.01Å; A253-G255 VanDerWaalsContact C-N 3.26Å; A253-G255 PolarHBondContact O-N 3.28Å
256	V	98.6	Very high	98.5	Very high	34 Å²	34	21.6 Å²	21.6	21%	0.206	15%	0.146	C	C	.	.	S	Bend	trans	-96	-3.5	-176.5	-61.4	0	0	0	0	113.8	L251 A254 Q340 K341 L344	L251-V256 HydrophobicContact CB-CG2 4.01Å; L251-V256 HydrophobicContact CD2-CG2 3.85Å; L251-V256 WeakPolarHBondContact O-CG2 3.36Å; L251-V256 PolarHBondContact O-N 3.41Å; L251-V256 VanDerWaalsContact O-N 3.12Å; A254-V256 VanDerWaalsContact C-N 3.26Å; A254-V256 HydrophobicContact CB-CG1 4.24Å; A254-V256 HydrophobicContact CB-CG2 4.29Å; A254-V256 PolarHBondContact O-N 3.47Å; V256-Q340 HydrophobicContact CG2-CB 3.91Å; V256-K341 HydrophobicContact CG1-CG 3.67Å; V256-L344 HydrophobicContact CB-CD1 3.9Å; V256-L344 HydrophobicContact CG2-CD1 3.81Å
257	V	98.6	Very high	98.5	Very high	14 Å²	14	21.1 Å²	21.1	9%	0.085	14%	0.143	C	C	.	.	S	Bend	trans	-138.9	161.3	173.9	-59.6	0	0	0	0	110.2	H224 L251 V252 S259 L344	H224-V257 VanDerWaalsContact CE1-CG1 3.48Å; H224-V257 WeakPolarHBondContact CE1-CG1 3.48Å; L251-V257 HydrophobicContact CB-CB 4.41Å; L251-V257 HydrophobicContact CB-CG1 3.93Å; L251-V257 HydrophobicContact CB-CG2 3.58Å; L251-V257 HydrophobicContact CD1-CG1 4.18Å; V252-V257 HydrophobicContact CG2-CG2 3.81Å; V257-S259 PolarHBondContact O-N 2.93Å; V257-L344 HydrophobicContact CG1-CD1 4.28Å; V257-L344 HydrophobicContact CG1-CD2 4.36Å
258	P	98.3	Very high	98.6	Very high	64 Å²	64	20.9 Å²	20.9	42%	0.416	14%	0.142	S	C	.	.			trans	-55.8	128.9	178.6	-26.9	36	0	0	0	112.9	H224	H224-P258 HydrophobicContact CB-CG 4.35Å; H224-P258 WeakPolarHBondContact NE2-CD 3.42Å
259	S	98.6	Very high	98.6	Very high	44 Å²	44	19.9 Å²	19.9	31%	0.308	14%	0.137	S	C	.	.			trans	-78.4	137.3	178.1	176.1	0	0	0	0	111.3	V257 F261 P262	V257-S259 PolarHBondContact O-N 2.93Å; S259-F261 VanDerWaalsContact C-N 3.31Å; S259-F261 WeakPolarHBondContact OG-CD2 3.37Å; S259-F261 PolarHBondContact OG-N 3.2Å; S259-P262 VanDerWaalsContact O-CD 3.28Å; S259-P262 WeakPolarHBondContact O-CD 3.41Å
260	P	98.6	Very high	98.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-76.9	-20	172.3	34.9	-39.9	0	0	0	112.8	Y227 A243 I245 P262 H263 A264 V267	Y227-P260 HydrophobicContact CD1-CB 3.94Å; Y227-P260 HydrophobicContact CD2-CB 4.11Å; Y227-P260 HydrophobicContact CE1-CB 3.74Å; Y227-P260 HydrophobicContact CE2-CB 3.9Å; Y227-P260 HydrophobicContact CG-CB 4.13Å; A243-P260 HydrophobicContact CB-CB 3.55Å; A243-P260 HydrophobicContact CB-CG 4.15Å; I245-P260 HydrophobicContact CG2-CB 4.41Å; I245-P260 HydrophobicContact CG2-CG 3.7Å; P260-P262 VanDerWaalsContact C-N 3.31Å; P260-H263 PolarHBondContact O-N 2.99Å; P260-A264 HydrophobicContact CB-CB 4.43Å; P260-A264 WeakPolarHBondContact O-CB 3.45Å; P260-A264 PolarHBondContact O-N 2.93Å; P260-V267 HydrophobicContact CG-CG1 4.2Å; P260-V267 HydrophobicContact CG-CG2 4.19Å
261	F	98.6	Very high	98.6	Very high	7 Å²	7	20.1 Å²	20.1	3%	0.031	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.8	-170.1	-70.2	-83	0	0	0	114.6	F120 L122 W127 I245 V252 S259 H263 V267 F284 R286	F120-F261 HydrophobicContact CB-CD2 4.48Å; F120-F261 HydrophobicContact CB-CE2 3.85Å; F120-F261 HydrophobicContact CB-CZ 4.02Å; F120-F261 HydrophobicContact CD1-CD2 4.48Å; F120-F261 AromaticContact CD1-CE2 3.49Å; F120-F261 HydrophobicContact CD1-CE2 3.49Å; F120-F261 VanDerWaalsContact CD1-CE2 3.49Å; F120-F261 AromaticContact CD1-CZ 4Å; F120-F261 HydrophobicContact CD1-CZ 4Å; F120-F261 HydrophobicContact CE1-CE2 4.23Å; F120-F261 AromaticContact CG-CE2 3.83Å; F120-F261 HydrophobicContact CG-CE2 3.83Å; F120-F261 AromaticContact CG-CZ 3.96Å; F120-F261 HydrophobicContact CG-CZ 3.96Å; L122-F261 HydrophobicContact CD1-CD1 3.63Å; L122-F261 HydrophobicContact CD1-CE1 3.36Å; L122-F261 HydrophobicContact CD1-CG 4.39Å; L122-F261 HydrophobicContact CD1-CZ 3.92Å; L122-F261 HydrophobicContact CD2-CB 3.68Å; L122-F261 HydrophobicContact CD2-CD1 3.45Å; L122-F261 VanDerWaalsContact CD2-CD1 3.45Å; L122-F261 HydrophobicContact CD2-CD2 4.11Å; L122-F261 HydrophobicContact CD2-CE1 4.04Å; L122-F261 HydrophobicContact CD2-CG 3.49Å; L122-F261 VanDerWaalsContact CD2-CG 3.49Å; L122-F261 HydrophobicContact CG-CD1 4.18Å; L122-F261 HydrophobicContact CG-CE1 4.29Å; W127-F261 HydrophobicContact CD2-CD1 4.27Å; W127-F261 AromaticContact CE2-CD1 3.93Å; W127-F261 HydrophobicContact CE3-CD1 4.31Å; W127-F261 HydrophobicContact CE3-CE1 4.5Å; W127-F261 AromaticContact CH2-CD1 3.79Å; W127-F261 HydrophobicContact CH2-CD1 3.79Å; W127-F261 HydrophobicContact CH2-CE1 4.45Å; W127-F261 HydrophobicContact CZ2-CB 4.15Å; W127-F261 AromaticContact CZ2-CD1 3.68Å; W127-F261 HydrophobicContact CZ2-CD1 3.68Å; W127-F261 HydrophobicContact CZ2-CG 4.42Å; W127-F261 WeakPolarHBondContact CZ2-O 3.31Å; W127-F261 HydrophobicContact CZ3-CD1 4.1Å; W127-F261 HydrophobicContact CZ3-CE1 4.36Å; I245-F261 HydrophobicContact CD1-CE2 4.21Å; V252-F261 HydrophobicContact CG1-CD2 4.29Å; V252-F261 HydrophobicContact CG1-CE2 4.12Å; S259-F261 VanDerWaalsContact C-N 3.31Å; S259-F261 WeakPolarHBondContact OG-CD2 3.37Å; S259-F261 PolarHBondContact OG-N 3.2Å; F261-H263 VanDerWaalsContact C-N 3.25Å; F261-H263 PolarHBondContact O-N 2.9Å; F261-V267 HydrophobicContact CD1-CB 4.36Å; F261-V267 HydrophobicContact CD1-CG2 3.71Å; F261-V267 HydrophobicContact CE1-CB 3.73Å; F261-V267 HydrophobicContact CE1-CG1 4.12Å; F261-V267 HydrophobicContact CE1-CG2 3.6Å; F261-V267 HydrophobicContact CE2-CG1 4.32Å; F261-V267 HydrophobicContact CG-CG2 4.3Å; F261-V267 HydrophobicContact CZ-CB 3.98Å; F261-V267 HydrophobicContact CZ-CG1 3.83Å; F261-V267 HydrophobicContact CZ-CG2 4.12Å; F261-F284 HydrophobicContact CE1-CB 3.83Å; F261-F284 HydrophobicContact CE1-CD1 4.19Å; F261-F284 HydrophobicContact CE1-CD2 4.07Å; F261-F284 AromaticContact CE1-CG 3.78Å; F261-F284 HydrophobicContact CE1-CG 3.78Å; F261-F284 HydrophobicContact CZ-CD1 4.46Å; F261-F284 AromaticContact CZ-CD2 3.92Å; F261-F284 HydrophobicContact CZ-CD2 3.92Å; F261-F284 HydrophobicContact CZ-CE2 4.2Å; F261-F284 HydrophobicContact CZ-CG 4.06Å; F261-R286 PolarHBondContact O-NH1 2.81Å; F261-R286 PolarHBondContact O-NH2 2.66Å
262	P	97.5	Very high	98.6	Very high	85 Å²	85	21.6 Å²	21.6	55%	0.552	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-22.8	170.4	-25.7	37.4	0	0	0	114.1	S259 P260 R286	S259-P262 VanDerWaalsContact O-CD 3.28Å; S259-P262 WeakPolarHBondContact O-CD 3.41Å; P260-P262 VanDerWaalsContact C-N 3.31Å; P262-R286 VanDerWaalsContact C-NH2 3.33Å; P262-R286 PolarHBondContact O-NH2 3.03Å; P262-R286 VanDerWaalsContact O-NH2 3.16Å
263	H	98	Very high	98.6	Very high	57 Å²	57	22.3 Å²	22.3	26%	0.264	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-38.1	-169.1	-62.6	-58.6	0	0	0	113.4	R231 L241 P260 F261	R231-H263 HydrophobicContact CB-CB 4.04Å; R231-H263 WeakPolarHBondContact CD-O 3.29Å; R231-H263 PolarHBondContact NH1-O 3.09Å; L241-H263 HydrophobicContact CD2-CB 4.23Å; P260-H263 PolarHBondContact O-N 2.99Å; F261-H263 VanDerWaalsContact C-N 3.25Å; F261-H263 PolarHBondContact O-N 2.9Å
264	A	98.4	Very high	98.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	14%	0.14	C	C	.	.			trans	-67.6	152	-175.2	0	0	0	0	0	112.7	L241 A243 P260 V267 R286	L241-A264 HydrophobicContact CG-CB 4.38Å; A243-A264 HydrophobicContact CB-CB 4.06Å; P260-A264 HydrophobicContact CB-CB 4.43Å; P260-A264 WeakPolarHBondContact O-CB 3.45Å; P260-A264 PolarHBondContact O-N 2.93Å; A264-V267 HydrophobicContact CB-CG2 3.71Å; A264-R286 PolarHBondContact O-NE 2.8Å; A264-R286 VanDerWaalsContact O-NE 3.07Å; A264-R286 PolarHBondContact O-NH2 2.99Å
265	H	98.3	Very high	98.5	Very high	4 Å²	4	21 Å²	21	2%	0.019	14%	0.136	C	C	.	.	S	Bend	trans	-90.5	-37.3	170.3	-67.4	106.8	0	0	0	111.1	R231 Y240 L241 R286 Y298 F300	R231-H265 PolarHBondContact NH1-CE1 2.69Å; R231-H265 PolarHBondContact NH1-NE2 2.88Å; R231-H265 PolarHBondContact NH2-NE2 2.92Å; Y240-H265 HydrophobicContact CD1-CB 4.25Å; Y240-H265 AromaticContact CD1-CG 3.96Å; L241-H265 PolarHBondContact N-ND1 3.31Å; L241-H265 WeakPolarHBondContact O-CB 3.36Å; L241-H265 PolarHBondContact O-N 3.32Å; H265-R286 WeakPolarHBondContact O-CG 3.46Å; H265-R286 PolarHBondContact O-N 3.19Å; H265-R286 VanDerWaalsContact O-N 3.08Å; H265-Y298 AromaticContact CD2-CE1 3.63Å; H265-Y298 AromaticContact CD2-CZ 3.79Å; H265-Y298 PolarHBondContact CD2-OH 3.29Å; H265-Y298 PolarHBondContact NE2-OH 3.17Å; H265-F300 HydrophobicContact CB-CE2 4Å; H265-F300 HydrophobicContact CB-CZ 4.13Å
266	I	98.8	Very high	98.5	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.015	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	142	177.5	-68.4	177	0	0	0	107.9	V143 L147 L241 M242 A243 T268 I283 F284 F300 I304	V143-I266 HydrophobicContact CG1-CD1 3.74Å; V143-I266 HydrophobicContact CG1-CG2 4.12Å; V143-I266 HydrophobicContact CG2-CG2 3.92Å; L147-I266 HydrophobicContact CD1-CD1 3.32Å; L147-I266 HydrophobicContact CG-CD1 4.32Å; L241-I266 PolarHBondContact O-N 2.98Å; M242-I266 CarbonylContact C-O 3.57Å; M242-I266 WeakPolarHBondContact CA-O 3.08Å; M242-I266 HydrophobicContact CG-CG2 4.26Å; A243-I266 PolarHBondContact N-O 2.71Å; I266-T268 HydrophobicContact CG2-CG2 4.28Å; I266-I283 HydrophobicContact CG2-CG2 4.05Å; I266-F284 CarbonylContact C-O 3.48Å; I266-F284 VanDerWaalsContact CA-O 3.32Å; I266-F284 WeakPolarHBondContact CA-O 3.23Å; I266-F284 WeakPolarHBondContact CG2-O 3.27Å; I266-F300 HydrophobicContact CD1-CD1 4.38Å; I266-F300 HydrophobicContact CD1-CE1 4.43Å; I266-F300 HydrophobicContact CD1-CG 4.49Å; I266-F300 HydrophobicContact CG1-CD2 4.32Å; I266-F300 HydrophobicContact CG1-CE2 4.29Å; I266-I304 HydrophobicContact CD1-CD1 3.81Å; I266-I304 HydrophobicContact CG1-CD1 4.34Å
267	V	98.9	Very high	98.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126	172.1	-175.2	0	0	0	0	108.7	W127 A243 I245 P260 F261 A264 F284	W127-V267 HydrophobicContact CH2-CG2 4.12Å; W127-V267 HydrophobicContact CZ3-CG2 4.39Å; A243-V267 HydrophobicContact CB-CG1 4.41Å; A243-V267 HydrophobicContact CB-CG2 4.26Å; A243-V267 CarbonylContact O-C 3.59Å; A243-V267 VanDerWaalsContact O-CA 3.25Å; A243-V267 WeakPolarHBondContact O-CA 3.44Å; I245-V267 HydrophobicContact CD1-CG1 3.62Å; I245-V267 HydrophobicContact CG1-CG1 3.73Å; I245-V267 HydrophobicContact CG2-CG1 4.21Å; P260-V267 HydrophobicContact CG-CG1 4.2Å; P260-V267 HydrophobicContact CG-CG2 4.19Å; F261-V267 HydrophobicContact CD1-CB 4.36Å; F261-V267 HydrophobicContact CD1-CG2 3.71Å; F261-V267 HydrophobicContact CE1-CB 3.73Å; F261-V267 HydrophobicContact CE1-CG1 4.12Å; F261-V267 HydrophobicContact CE1-CG2 3.6Å; F261-V267 HydrophobicContact CE2-CG1 4.32Å; F261-V267 HydrophobicContact CG-CG2 4.3Å; F261-V267 HydrophobicContact CZ-CB 3.98Å; F261-V267 HydrophobicContact CZ-CG1 3.83Å; F261-V267 HydrophobicContact CZ-CG2 4.12Å; A264-V267 HydrophobicContact CB-CG2 3.71Å; V267-F284 HydrophobicContact CB-CB 4.17Å; V267-F284 HydrophobicContact CB-CD2 4.35Å; V267-F284 PolarHBondContact N-O 2.92Å; V267-F284 PolarHBondContact O-N 2.88Å
268	T	99	Very high	98.5	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	147.3	172	59.1	0	0	0	0	110.1	N140 V143 M242 A243 I245 I266 I282 I283	N140-T268 VanDerWaalsContact OD1-CB 3.28Å; N140-T268 WeakPolarHBondContact OD1-CB 3.28Å; N140-T268 PolarHBondContact OD1-OG1 3.31Å; V143-T268 HydrophobicContact CG2-CG2 3.88Å; M242-T268 HydrophobicContact CE-CG2 3.69Å; M242-T268 WeakPolarHBondContact CE-OG1 3.49Å; A243-T268 PolarHBondContact O-N 3.33Å; I245-T268 PolarHBondContact N-O 3.49Å; I266-T268 HydrophobicContact CG2-CG2 4.28Å; T268-I282 WeakPolarHBondContact CA-O 3.39Å; T268-I283 HydrophobicContact CG2-CG1 4.08Å; T268-I283 HydrophobicContact CG2-CG2 4.26Å
269	T	98.9	Very high	98.6	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.012	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	147.6	175.9	-169.6	0	0	0	0	111.9	I271 A281 I282 F284	T269-I271 HydrophobicContact CG2-CD1 4.06Å; T269-A281 CarbonylContact O-C 3.46Å; T269-A281 WeakPolarHBondContact O-CA 3.49Å; T269-A281 WeakPolarHBondContact O-CB 3.41Å; T269-I282 HydrophobicContact CG2-CB 4.2Å; T269-I282 PolarHBondContact N-O 3.22Å; T269-I282 PolarHBondContact O-N 2.99Å; T269-F284 HydrophobicContact CG2-CE2 4.04Å
270	T	98.9	Very high	98.6	Very high	4 Å²	4	22.4 Å²	22.4	3%	0.025	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	150.8	162.7	52.7	0	0	0	0	111.6	A246 H272 K273 A280	A246-T270 HydrophobicContact CB-CG2 4.12Å; A246-T270 WeakPolarHBondContact CB-OG1 3.36Å; A246-T270 PolarHBondContact O-OG1 3.26Å; T270-H272 WeakPolarHBondContact CB-CE1 3.21Å; T270-H272 VanDerWaalsContact CG2-CE1 3.43Å; T270-H272 WeakPolarHBondContact CG2-CE1 3.3Å; T270-K273 PolarHBondContact OG1-NZ 2.88Å; T270-A280 WeakPolarHBondContact CA-O 3.36Å
271	I	98.7	Very high	98.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	-92.9	-20.3	-177.5	-47	-54.6	0	0	0	113	T269 L275 R276 G277 P278 A280 I282 I324 A327	T269-I271 HydrophobicContact CG2-CD1 4.06Å; I271-L275 HydrophobicContact CD1-CD2 3.76Å; I271-L275 HydrophobicContact CG2-CD2 4.05Å; I271-L275 CarbonylContact O-C 3.49Å; I271-L275 WeakPolarHBondContact O-CB 3.35Å; I271-R276 PolarHBondContact O-N 3.07Å; I271-G277 WeakPolarHBondContact O-CA 3.45Å; I271-G277 PolarHBondContact O-N 2.89Å; I271-P278 CarbonylContact C-O 3.51Å; I271-P278 HydrophobicContact CG2-CG 4.41Å; I271-A280 HydrophobicContact CG1-CB 4.42Å; I271-A280 PolarHBondContact N-O 3.5Å; I271-I282 HydrophobicContact CD1-CB 4.2Å; I271-I282 HydrophobicContact CD1-CD1 3.41Å; I271-I282 VanDerWaalsContact CD1-CD1 3.41Å; I271-I282 HydrophobicContact CD1-CG1 3.61Å; I271-I282 HydrophobicContact CG1-CD1 4.28Å; I271-I282 HydrophobicContact CG1-CG1 4.21Å; I271-I324 HydrophobicContact CG1-CD1 4.48Å; I271-I324 HydrophobicContact CG1-CG1 4.17Å; I271-I324 HydrophobicContact CG1-CG2 4.35Å; I271-I324 HydrophobicContact CG2-CG1 4.35Å; I271-I324 HydrophobicContact CG2-CG2 4.42Å; I271-A327 HydrophobicContact CG2-CB 4.27Å
272	H	98.5	Very high	98.6	Very high	31 Å²	31	22.1 Å²	22.1	14%	0.144	10%	0.102	C	C	.	.	S	Bend	trans	-83.5	-18.7	-171.8	50.3	-89.5	0	0	0	116.8	T270 G277 P278 R279	T270-H272 WeakPolarHBondContact CB-CE1 3.21Å; T270-H272 VanDerWaalsContact CG2-CE1 3.43Å; T270-H272 WeakPolarHBondContact CG2-CE1 3.3Å; H272-G277 WeakPolarHBondContact CA-O 3.46Å; H272-P278 WeakPolarHBondContact CB-O 3.36Å; H272-P278 PolarHBondContact N-O 2.92Å; H272-R279 HydrophobicContact CB-CG 4.29Å
273	K	98.7	Very high	98.7	Very high	25 Å²	25	18 Å²	18	11%	0.109	8%	0.076	C	C	.	.	S	Bend	trans	-80.8	-116.6	-172.8	-56.2	-170.5	-178.8	58.5	0	111.6	S69 N71 A246 T270 L275 R276	S69-K273 WeakPolarHBondContact O-CG 3.48Å; N71-K273 WeakPolarHBondContact CB-O 3.26Å; N71-K273 PolarHBondContact ND2-O 3.45Å; N71-K273 VanDerWaalsContact ND2-O 3.07Å; A246-K273 HydrophobicContact CB-CD 4.44Å; A246-K273 WeakPolarHBondContact O-CB 3.42Å; A246-K273 WeakPolarHBondContact O-CD 3.33Å; T270-K273 PolarHBondContact OG1-NZ 2.88Å; K273-L275 PolarHBondContact O-N 3.37Å; K273-R276 PolarHBondContact O-N 2.77Å; K273-R276 VanDerWaalsContact O-N 3.12Å
274	S	98.6	Very high	98.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.5	176.4	52	0	0	0	0	113.2	H247 G249 G250 R276 Q340	H247-S274 VanDerWaalsContact O-CB 3.31Å; H247-S274 WeakPolarHBondContact O-CB 3.44Å; H247-S274 PolarHBondContact O-OG 3Å; G249-S274 PolarHBondContact N-OG 3.11Å; G250-S274 PolarHBondContact N-OG 3.41Å; S274-R276 VanDerWaalsContact C-N 3.32Å; S274-Q340 PolarHBondContact O-NE2 3.47Å
275	L	98.5	Very high	98.7	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.01	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-9	177.6	-161	67.1	0	0	0	114	F120 A253 I271 K273 G277 L328 A331 F336	F120-L275 HydrophobicContact CZ-CD2 4.38Å; A253-L275 HydrophobicContact CB-CD1 3.86Å; I271-L275 HydrophobicContact CD1-CD2 3.76Å; I271-L275 HydrophobicContact CG2-CD2 4.05Å; I271-L275 CarbonylContact O-C 3.49Å; I271-L275 WeakPolarHBondContact O-CB 3.35Å; K273-L275 PolarHBondContact O-N 3.37Å; L275-G277 VanDerWaalsContact C-N 3.27Å; L275-G277 PolarHBondContact O-N 3.48Å; L275-G277 VanDerWaalsContact O-N 3.16Å; L275-L328 HydrophobicContact CD2-CD2 4.18Å; L275-A331 HydrophobicContact CD1-CB 3.81Å; L275-F336 HydrophobicContact CD1-CZ 4.18Å
276	R	98.4	Very high	98.7	Very high	47 Å²	47	17 Å²	17	18%	0.177	7%	0.069	C	C	.	.			trans	56.4	31.3	167.9	-157.7	169.2	66.6	-178.2	2.5	115.7	N71 F72 I271 K273 S274 F336 S422	N71-R276 HydrophobicContact CB-CG 4.49Å; F72-R276 VanDerWaalsContact O-CD 3.24Å; F72-R276 WeakPolarHBondContact O-CD 3.45Å; F72-R276 WeakPolarHBondContact O-CG 3.3Å; I271-R276 PolarHBondContact O-N 3.07Å; K273-R276 PolarHBondContact O-N 2.77Å; K273-R276 VanDerWaalsContact O-N 3.12Å; S274-R276 VanDerWaalsContact C-N 3.32Å; R276-F336 HydrophobicContact CB-CE2 4.46Å; R276-S422 WeakPolarHBondContact CD-OG 3.21Å; R276-S422 PolarHBondContact NH1-OG 3.46Å; R276-S422 VanDerWaalsContact NH1-OG 3.15Å
277	G	98.6	Very high	98.5	Very high	4 Å²	4	20.3 Å²	20.3	4%	0.041	8%	0.084	C	C	.	.			trans	-109.4	-156.2	174.1	0	0	0	0	0	113.6	I271 H272 L275	I271-G277 WeakPolarHBondContact O-CA 3.45Å; I271-G277 PolarHBondContact O-N 2.89Å; H272-G277 WeakPolarHBondContact CA-O 3.46Å; L275-G277 VanDerWaalsContact C-N 3.27Å; L275-G277 PolarHBondContact O-N 3.48Å; L275-G277 VanDerWaalsContact O-N 3.16Å
278	P	98.5	Very high	98.1	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.019	10%	0.098	C	C	.	.			trans	-73.8	168.4	-176.8	33.3	-39	0	0	0	112.8	V77 L81 I271 H272 A280 A323 I324	V77-P278 HydrophobicContact CG1-CB 4.38Å; L81-P278 HydrophobicContact CD1-CB 3.93Å; L81-P278 HydrophobicContact CD2-CB 3.75Å; L81-P278 HydrophobicContact CG-CB 4.06Å; I271-P278 CarbonylContact C-O 3.51Å; I271-P278 HydrophobicContact CG2-CG 4.41Å; H272-P278 WeakPolarHBondContact CB-O 3.36Å; H272-P278 PolarHBondContact N-O 2.92Å; P278-A280 VanDerWaalsContact C-N 3.35Å; P278-A280 PolarHBondContact O-N 2.91Å; P278-A323 HydrophobicContact CB-CB 3.93Å; P278-A323 HydrophobicContact CG-CB 3.74Å; P278-I324 HydrophobicContact CG-CB 4.45Å; P278-I324 HydrophobicContact CG-CG1 3.63Å
279	R	98.7	Very high	97.4	Very high	193 Å²	193	24.9 Å²	24.9	73%	0.728	12%	0.118	S	C	*	.	S	Bend	trans	-69.8	92.2	166.5	-69.3	-176.3	-177.2	-86.5	0.7	109.8	H272	H272-R279 HydrophobicContact CB-CG 4.29Å
280	A	98.7	Very high	96.5	Very high	3 Å²	3	26.7 Å²	26.7	3%	0.025	13%	0.127	C	C	.	.			trans	-156	-178	173.3	0	0	0	0	0	110	T270 I271 P278 I324	T270-A280 WeakPolarHBondContact CA-O 3.36Å; I271-A280 HydrophobicContact CG1-CB 4.42Å; I271-A280 PolarHBondContact N-O 3.5Å; P278-A280 VanDerWaalsContact C-N 3.35Å; P278-A280 PolarHBondContact O-N 2.91Å; A280-I324 HydrophobicContact CB-CD1 3.46Å; A280-I324 VanDerWaalsContact CB-CD1 3.46Å; A280-I324 HydrophobicContact CB-CG1 3.89Å
281	A	98.9	Very high	95.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	164.6	172	0	0	0	0	0	112.8	P133 S135 A139 T269	P133-A281 HydrophobicContact CB-CB 4.23Å; P133-A281 PolarHBondContact O-N 2.89Å; P133-A281 VanDerWaalsContact O-N 3.15Å; S135-A281 VanDerWaalsContact O-CB 3.29Å; S135-A281 WeakPolarHBondContact O-CB 3.44Å; A139-A281 HydrophobicContact CB-CB 3.7Å; T269-A281 CarbonylContact O-C 3.46Å; T269-A281 WeakPolarHBondContact O-CA 3.49Å; T269-A281 WeakPolarHBondContact O-CB 3.41Å
282	I	98.9	Very high	93.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141.5	177.3	-67.7	174.5	0	0	0	108.7	A116 V129 N130 V131 T268 T269 I271 F284 I324 L328	A116-I282 HydrophobicContact CB-CD1 4.09Å; V129-I282 HydrophobicContact CG2-CG2 3.07Å; N130-I282 WeakPolarHBondContact O-CA 3.29Å; V131-I282 HydrophobicContact CG1-CD1 4.4Å; V131-I282 HydrophobicContact CG1-CG1 4.21Å; T268-I282 WeakPolarHBondContact CA-O 3.39Å; T269-I282 HydrophobicContact CG2-CB 4.2Å; T269-I282 PolarHBondContact N-O 3.22Å; T269-I282 PolarHBondContact O-N 2.99Å; I271-I282 HydrophobicContact CD1-CB 4.2Å; I271-I282 HydrophobicContact CD1-CD1 3.41Å; I271-I282 VanDerWaalsContact CD1-CD1 3.41Å; I271-I282 HydrophobicContact CD1-CG1 3.61Å; I271-I282 HydrophobicContact CG1-CD1 4.28Å; I271-I282 HydrophobicContact CG1-CG1 4.21Å; I282-F284 HydrophobicContact CB-CE2 4.09Å; I282-F284 HydrophobicContact CB-CZ 4.47Å; I282-F284 HydrophobicContact CG2-CD1 4.45Å; I282-F284 HydrophobicContact CG2-CD2 3.79Å; I282-F284 HydrophobicContact CG2-CE1 4.12Å; I282-F284 HydrophobicContact CG2-CE2 3.39Å; I282-F284 HydrophobicContact CG2-CG 4.3Å; I282-F284 HydrophobicContact CG2-CZ 3.58Å; I282-I324 HydrophobicContact CD1-CG2 3.81Å; I282-I324 HydrophobicContact CG1-CG2 4.43Å; I282-L328 HydrophobicContact CD1-CD1 4.14Å
283	I	99	Very high	92	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	114.4	169.5	-56.4	161.7	0	0	0	108.4	V129 N130 P133 A139 A142 V143 I266 T268 I304 V308	V129-I283 CarbonylContact C-O 3.58Å; V129-I283 VanDerWaalsContact CA-O 3.3Å; V129-I283 WeakPolarHBondContact CA-O 3.25Å; N130-I283 PolarHBondContact N-O 2.96Å; N130-I283 PolarHBondContact O-N 3.16Å; P133-I283 HydrophobicContact CG-CD1 3.62Å; P133-I283 HydrophobicContact CG-CG1 3.91Å; A139-I283 HydrophobicContact CB-CD1 4.22Å; A139-I283 HydrophobicContact CB-CG1 3.9Å; A142-I283 HydrophobicContact CB-CD1 4.19Å; V143-I283 HydrophobicContact CG2-CD1 4.11Å; V143-I283 HydrophobicContact CG2-CG1 4.22Å; V143-I283 HydrophobicContact CG2-CG2 3.65Å; I266-I283 HydrophobicContact CG2-CG2 4.05Å; T268-I283 HydrophobicContact CG2-CG1 4.08Å; T268-I283 HydrophobicContact CG2-CG2 4.26Å; I283-I304 HydrophobicContact CB-CG2 4.32Å; I283-I304 HydrophobicContact CD1-CG2 3.96Å; I283-I304 HydrophobicContact CG2-CD1 4.01Å; I283-I304 HydrophobicContact CG2-CG2 3.9Å; I283-V308 HydrophobicContact CD1-CG2 3.97Å
284	F	98.9	Very high	90.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	142.9	168.9	-58.1	-91.7	0	0	0	110.2	A116 L117 F120 L122 W127 G128 V129 F261 I266 V267 T269 I282	A116-F284 HydrophobicContact CB-CE1 3.92Å; A116-F284 HydrophobicContact CB-CZ 4.06Å; L117-F284 HydrophobicContact CD2-CD1 4.21Å; L117-F284 HydrophobicContact CD2-CE1 4.42Å; F120-F284 HydrophobicContact CD2-CE1 4.09Å; F120-F284 HydrophobicContact CD2-CE2 4.08Å; F120-F284 AromaticContact CD2-CZ 3.43Å; F120-F284 HydrophobicContact CD2-CZ 3.43Å; F120-F284 VanDerWaalsContact CD2-CZ 3.43Å; F120-F284 AromaticContact CE2-CE2 3.99Å; F120-F284 HydrophobicContact CE2-CE2 3.99Å; F120-F284 AromaticContact CE2-CZ 3.63Å; F120-F284 HydrophobicContact CE2-CZ 3.63Å; F120-F284 HydrophobicContact CG-CZ 4.33Å; L122-F284 HydrophobicContact CD1-CD1 3.67Å; L122-F284 HydrophobicContact CD1-CE1 3.99Å; L122-F284 HydrophobicContact CD1-CG 4.41Å; W127-F284 HydrophobicContact CE3-CB 3.96Å; W127-F284 HydrophobicContact CZ3-CB 4.04Å; G128-F284 WeakPolarHBondContact O-CA 3.19Å; V129-F284 HydrophobicContact CB-CD1 3.92Å; V129-F284 HydrophobicContact CB-CE1 4.17Å; V129-F284 HydrophobicContact CG2-CD1 3.69Å; V129-F284 HydrophobicContact CG2-CE1 3.68Å; V129-F284 HydrophobicContact CG2-CG 4.23Å; V129-F284 HydrophobicContact CG2-CZ 4.22Å; F261-F284 HydrophobicContact CE1-CB 3.83Å; F261-F284 HydrophobicContact CE1-CD1 4.19Å; F261-F284 HydrophobicContact CE1-CD2 4.07Å; F261-F284 AromaticContact CE1-CG 3.78Å; F261-F284 HydrophobicContact CE1-CG 3.78Å; F261-F284 HydrophobicContact CZ-CD1 4.46Å; F261-F284 AromaticContact CZ-CD2 3.92Å; F261-F284 HydrophobicContact CZ-CD2 3.92Å; F261-F284 HydrophobicContact CZ-CE2 4.2Å; F261-F284 HydrophobicContact CZ-CG 4.06Å; I266-F284 CarbonylContact C-O 3.48Å; I266-F284 VanDerWaalsContact CA-O 3.32Å; I266-F284 WeakPolarHBondContact CA-O 3.23Å; I266-F284 WeakPolarHBondContact CG2-O 3.27Å; V267-F284 HydrophobicContact CB-CB 4.17Å; V267-F284 HydrophobicContact CB-CD2 4.35Å; V267-F284 PolarHBondContact N-O 2.92Å; V267-F284 PolarHBondContact O-N 2.88Å; T269-F284 HydrophobicContact CG2-CE2 4.04Å; I282-F284 HydrophobicContact CB-CE2 4.09Å; I282-F284 HydrophobicContact CB-CZ 4.47Å; I282-F284 HydrophobicContact CG2-CD1 4.45Å; I282-F284 HydrophobicContact CG2-CD2 3.79Å; I282-F284 HydrophobicContact CG2-CE1 4.12Å; I282-F284 HydrophobicContact CG2-CE2 3.39Å; I282-F284 HydrophobicContact CG2-CG 4.3Å; I282-F284 HydrophobicContact CG2-CZ 3.58Å
285	Y	98.8	Very high	89.6	Confident	5 Å²	5	47.8 Å²	47.8	2%	0.02	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	146.1	179.3	51.4	-100.3	0	0	0	112	W127 G128 N130 K287 F300 K301 I304	W127-Y285 WeakPolarHBondContact CA-O 3.38Å; W127-Y285 VanDerWaalsContact CE3-O 3.27Å; G128-Y285 VanDerWaalsContact CA-CE2 3.46Å; G128-Y285 PolarHBondContact N-O 3.26Å; G128-Y285 PolarHBondContact O-N 2.99Å; N130-Y285 HydrophobicContact CB-CE1 4.41Å; Y285-K287 HydrophobicContact CE2-CG 4.44Å; Y285-F300 HydrophobicContact CD2-CB 4.06Å; Y285-F300 HydrophobicContact CG-CB 4.02Å; Y285-K301 HydrophobicContact CD2-CB 4.4Å; Y285-K301 HydrophobicContact CE2-CB 3.57Å; Y285-K301 HydrophobicContact CE2-CG 4.19Å; Y285-K301 WeakPolarHBondContact OH-CG 3.46Å; Y285-I304 HydrophobicContact CD1-CB 4.45Å; Y285-I304 HydrophobicContact CD1-CD1 3.65Å; Y285-I304 HydrophobicContact CD1-CG2 4.34Å; Y285-I304 HydrophobicContact CE1-CG2 4.49Å; Y285-I304 HydrophobicContact CG-CD1 3.86Å
286	R	97.7	Very high	88.8	Confident	33 Å²	33	51.6 Å²	51.6	13%	0.125	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	147.9	173.4	-68.7	-75.3	-167.9	-166.8	4.8	112.3	E126 W127 F261 P262 A264 H265 Y298 F300	E126-R286 CarbonylContact O-C 3.56Å; E126-R286 WeakPolarHBondContact O-CA 3.3Å; W127-R286 HydrophobicContact CH2-CG 3.95Å; W127-R286 HydrophobicContact CZ2-CG 4.12Å; W127-R286 HydrophobicContact CZ3-CG 4.25Å; F261-R286 PolarHBondContact O-NH1 2.81Å; F261-R286 PolarHBondContact O-NH2 2.66Å; P262-R286 VanDerWaalsContact C-NH2 3.33Å; P262-R286 PolarHBondContact O-NH2 3.03Å; P262-R286 VanDerWaalsContact O-NH2 3.16Å; A264-R286 PolarHBondContact O-NE 2.8Å; A264-R286 VanDerWaalsContact O-NE 3.07Å; A264-R286 PolarHBondContact O-NH2 2.99Å; H265-R286 WeakPolarHBondContact O-CG 3.46Å; H265-R286 PolarHBondContact O-N 3.19Å; H265-R286 VanDerWaalsContact O-N 3.08Å; R286-Y298 HydrophobicContact CB-CD1 4.17Å; R286-Y298 HydrophobicContact CB-CD2 3.64Å; R286-Y298 HydrophobicContact CB-CE1 4.14Å; R286-Y298 HydrophobicContact CB-CE2 3.61Å; R286-Y298 HydrophobicContact CB-CG 3.92Å; R286-Y298 HydrophobicContact CG-CE2 4.18Å; R286-F300 HydrophobicContact CB-CD2 4.18Å; R286-F300 HydrophobicContact CB-CE2 4.2Å
287	K	95.7	Very high	88.4	Confident	73 Å²	73	54.6 Å²	54.6	32%	0.317	32%	0.322	S	S	.	.			trans	-120.1	170.5	166	-65	175.2	-179.6	158.1	0	109.3	E124 D125 E126 W127 G128 Y285 Y298	E124-K287 PolarHBondContact O-NZ 2.9Å; D125-K287 WeakPolarHBondContact O-CB 3.09Å; E126-K287 PolarHBondContact O-N 2.92Å; W127-K287 WeakPolarHBondContact O-CE 3.4Å; W127-K287 PolarHBondContact O-NZ 3Å; G128-K287 VanDerWaalsContact CA-CE 3.42Å; Y285-K287 HydrophobicContact CE2-CG 4.44Å; K287-Y298 WeakPolarHBondContact O-CD2 3.43Å
288	G	90.8	Very high	88	Confident	30 Å²	30	55.9 Å²	55.9	31%	0.309	33%	0.326	S	S	.	.	S	Bend	trans	82.1	-149.8	179.2	0	0	0	0	0	112.9	Q297 Y298	G288-Q297 VanDerWaalsContact CA-OE1 3.3Å; G288-Q297 CarbonylContact O-C 3.56Å; G288-Q297 VanDerWaalsContact O-CA 3.31Å; G288-Q297 WeakPolarHBondContact O-CA 3.29Å; G288-Q297 PolarHBondContact O-OE1 3.31Å; G288-Y298 WeakPolarHBondContact O-CD2 3.44Å; G288-Y298 PolarHBondContact O-N 3.18Å
289	V	84.2	Confident	87.7	Confident	68 Å²	68	59.2 Å²	59.2	41%	0.412	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-84.3	130.6	-168.5	-169.7	0	0	0	0	111.9	Q291 A294 Y298	V289-Q291 WeakPolarHBondContact CG1-O 3.24Å; V289-A294 WeakPolarHBondContact CG1-O 3.2Å; V289-Y298 VanDerWaalsContact O-CE2 3.3Å; V289-Y298 WeakPolarHBondContact O-CE2 3.42Å
290	L	79.8	Confident	87.7	Confident	39 Å²	39	50.1 Å²	50.1	20%	0.204	31%	0.309	C	S	.	.	S	Bend	trans	-67	-39.7	179.5	174.1	64.5	0	0	0	113.2	Y240 V296 Y298	Y240-L290 HydrophobicContact CE1-CD1 4.03Å; L290-V296 HydrophobicContact CB-CG1 4.45Å; L290-V296 WeakPolarHBondContact CB-O 3.41Å; L290-V296 HydrophobicContact CD2-CG1 4.06Å; L290-V296 PolarHBondContact N-O 2.73Å; L290-Y298 HydrophobicContact CB-CD1 4.35Å; L290-Y298 HydrophobicContact CB-CE1 4.2Å; L290-Y298 HydrophobicContact CD1-CD1 3.79Å; L290-Y298 HydrophobicContact CD1-CE1 3.12Å; L290-Y298 HydrophobicContact CG-CE1 4.23Å
291	Q	72.3	Confident	87.6	Confident	130 Å²	130	54.5 Å²	54.5	61%	0.607	33%	0.328	S	S	*	.	S	Bend	trans	-136.2	127.4	179.7	-75.3	177.6	-3.2	0	0	109.4	V289 G293 A294	V289-Q291 WeakPolarHBondContact CG1-O 3.24Å; Q291-G293 PolarHBondContact O-N 2.69Å; Q291-A294 HydrophobicContact CB-CB 3.93Å; Q291-A294 WeakPolarHBondContact O-CB 3.46Å; Q291-A294 PolarHBondContact O-N 2.82Å
292	S	65.2	Low	87.5	Confident	136 Å²	136	58.7 Å²	58.7	95%	0.951	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	124.2	176.5	-170.2	0	0	0	0	110.3
293	G	63.7	Low	87.5	Confident	88 Å²	88	62.9 Å²	62.9	91%	0.907	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	-6.1	-176.2	0	0	0	0	0	115.9	Q291	Q291-G293 PolarHBondContact O-N 2.69Å
294	A	67	Low	87.5	Confident	34 Å²	34	62.9 Å²	62.9	28%	0.281	37%	0.369	S	S	.	.			trans	-95.5	152.3	171.8	0	0	0	0	0	111.4	V289 Q291 V296	V289-A294 WeakPolarHBondContact CG1-O 3.2Å; Q291-A294 HydrophobicContact CB-CB 3.93Å; Q291-A294 WeakPolarHBondContact O-CB 3.46Å; Q291-A294 PolarHBondContact O-N 2.82Å; A294-V296 PolarHBondContact O-N 2.87Å
295	S	78.5	Confident	87.4	Confident	115 Å²	115	63.4 Å²	63.4	80%	0.804	37%	0.371	S	S	*	.	S	Bend	trans	-82.4	1	173.2	54	0	0	0	0	113.6	Q297	S295-Q297 PolarHBondContact O-N 3.12Å
296	V	83.5	Confident	87.4	Confident	83 Å²	83	69.2 Å²	69.2	50%	0.503	40%	0.398	S	S	.	.			trans	-82.6	115	-175.6	-174.1	0	0	0	0	110	L290 A294	L290-V296 HydrophobicContact CB-CG1 4.45Å; L290-V296 WeakPolarHBondContact CB-O 3.41Å; L290-V296 HydrophobicContact CD2-CG1 4.06Å; L290-V296 PolarHBondContact N-O 2.73Å; A294-V296 PolarHBondContact O-N 2.87Å
297	Q	88.3	Confident	87.5	Confident	109 Å²	109	67.9 Å²	67.9	51%	0.509	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-85	152.7	175.1	-58.2	-68.4	-35.2	0	0	110.9	G288 S295 D299	G288-Q297 VanDerWaalsContact CA-OE1 3.3Å; G288-Q297 CarbonylContact O-C 3.56Å; G288-Q297 VanDerWaalsContact O-CA 3.31Å; G288-Q297 WeakPolarHBondContact O-CA 3.29Å; G288-Q297 PolarHBondContact O-OE1 3.31Å; S295-Q297 PolarHBondContact O-N 3.12Å; Q297-D299 PolarHBondContact O-N 2.9Å
298	Y	91.3	Very high	87.6	Confident	32 Å²	32	64.5 Å²	64.5	13%	0.125	38%	0.38	C	S	.	.			trans	-63.4	125.1	163.4	-72.3	-69.1	0	0	0	109.8	H265 R286 K287 G288 V289 L290 F300	H265-Y298 AromaticContact CD2-CE1 3.63Å; H265-Y298 AromaticContact CD2-CZ 3.79Å; H265-Y298 PolarHBondContact CD2-OH 3.29Å; H265-Y298 PolarHBondContact NE2-OH 3.17Å; R286-Y298 HydrophobicContact CB-CD1 4.17Å; R286-Y298 HydrophobicContact CB-CD2 3.64Å; R286-Y298 HydrophobicContact CB-CE1 4.14Å; R286-Y298 HydrophobicContact CB-CE2 3.61Å; R286-Y298 HydrophobicContact CB-CG 3.92Å; R286-Y298 HydrophobicContact CG-CE2 4.18Å; K287-Y298 WeakPolarHBondContact O-CD2 3.43Å; G288-Y298 WeakPolarHBondContact O-CD2 3.44Å; G288-Y298 PolarHBondContact O-N 3.18Å; V289-Y298 VanDerWaalsContact O-CE2 3.3Å; V289-Y298 WeakPolarHBondContact O-CE2 3.42Å; L290-Y298 HydrophobicContact CB-CD1 4.35Å; L290-Y298 HydrophobicContact CB-CE1 4.2Å; L290-Y298 HydrophobicContact CD1-CD1 3.79Å; L290-Y298 HydrophobicContact CD1-CE1 3.12Å; L290-Y298 HydrophobicContact CG-CE1 4.23Å; Y298-F300 AromaticContact CD1-CD2 3.67Å; Y298-F300 HydrophobicContact CD1-CD2 3.67Å; Y298-F300 HydrophobicContact CD1-CE1 4.41Å; Y298-F300 AromaticContact CD1-CE2 3.15Å; Y298-F300 HydrophobicContact CD1-CE2 3.15Å; Y298-F300 HydrophobicContact CD1-CG 4.48Å; Y298-F300 AromaticContact CD1-CZ 3.59Å; Y298-F300 HydrophobicContact CD1-CZ 3.59Å; Y298-F300 HydrophobicContact CE1-CD2 4.36Å; Y298-F300 AromaticContact CE1-CE2 3.48Å; Y298-F300 HydrophobicContact CE1-CE2 3.48Å; Y298-F300 VanDerWaalsContact CE1-CE2 3.48Å; Y298-F300 AromaticContact CE1-CZ 3.85Å; Y298-F300 HydrophobicContact CE1-CZ 3.85Å; Y298-F300 HydrophobicContact CG-CD2 4.15Å; Y298-F300 HydrophobicContact CG-CE2 4.05Å
299	D	92.9	Very high	88	Confident	72 Å²	72	63.7 Å²	63.7	39%	0.385	37%	0.368	S	S	.	.			trans	-109.5	40.8	173.1	-176.8	30.6	0	0	0	110.5	Q297 N302 K303	Q297-D299 PolarHBondContact O-N 2.9Å; D299-N302 PolarHBondContact OD1-ND2 3.18Å; D299-N302 VanDerWaalsContact OD1-ND2 3.13Å; D299-K303 WeakPolarHBondContact O-CD 3.42Å; D299-K303 WeakPolarHBondContact O-CG 3.19Å; D299-K303 VanDerWaalsContact OD2-CE 3.26Å; D299-K303 WeakPolarHBondContact OD2-CE 3.24Å; D299-K303 IonicContact OD2-NZ 3.74Å
300	F	97.5	Very high	88.7	Confident	3 Å²	3	64.7 Å²	64.7	1%	0.013	38%	0.376	C	S	.	.	H	α-helix	trans	-76.9	-38.1	-178.4	-67.5	-33.1	0	0	0	112.6	L147 Y240 H265 I266 Y285 R286 Y298 N302 K303 I304	L147-F300 HydrophobicContact CD1-CD1 4.27Å; L147-F300 HydrophobicContact CD1-CE1 3.92Å; L147-F300 HydrophobicContact CD2-CD1 3.8Å; L147-F300 HydrophobicContact CD2-CE1 3.98Å; Y240-F300 HydrophobicContact CD1-CE1 4.25Å; Y240-F300 AromaticContact CD1-CZ 3.69Å; Y240-F300 HydrophobicContact CD1-CZ 3.69Å; Y240-F300 HydrophobicContact CD2-CE1 4.43Å; Y240-F300 AromaticContact CE1-CE1 3.92Å; Y240-F300 HydrophobicContact CE1-CE1 3.92Å; Y240-F300 AromaticContact CE1-CZ 3.57Å; Y240-F300 HydrophobicContact CE1-CZ 3.57Å; Y240-F300 HydrophobicContact CE2-CE1 4.11Å; Y240-F300 HydrophobicContact CE2-CZ 4.5Å; Y240-F300 HydrophobicContact CG-CE1 4.48Å; Y240-F300 HydrophobicContact CG-CZ 4.21Å; Y240-F300 AromaticContact CZ-CE1 3.84Å; H265-F300 HydrophobicContact CB-CE2 4Å; H265-F300 HydrophobicContact CB-CZ 4.13Å; I266-F300 HydrophobicContact CD1-CD1 4.38Å; I266-F300 HydrophobicContact CD1-CE1 4.43Å; I266-F300 HydrophobicContact CD1-CG 4.49Å; I266-F300 HydrophobicContact CG1-CD2 4.32Å; I266-F300 HydrophobicContact CG1-CE2 4.29Å; Y285-F300 HydrophobicContact CD2-CB 4.06Å; Y285-F300 HydrophobicContact CG-CB 4.02Å; R286-F300 HydrophobicContact CB-CD2 4.18Å; R286-F300 HydrophobicContact CB-CE2 4.2Å; Y298-F300 AromaticContact CD1-CD2 3.67Å; Y298-F300 HydrophobicContact CD1-CD2 3.67Å; Y298-F300 HydrophobicContact CD1-CE1 4.41Å; Y298-F300 AromaticContact CD1-CE2 3.15Å; Y298-F300 HydrophobicContact CD1-CE2 3.15Å; Y298-F300 HydrophobicContact CD1-CG 4.48Å; Y298-F300 AromaticContact CD1-CZ 3.59Å; Y298-F300 HydrophobicContact CD1-CZ 3.59Å; Y298-F300 HydrophobicContact CE1-CD2 4.36Å; Y298-F300 AromaticContact CE1-CE2 3.48Å; Y298-F300 HydrophobicContact CE1-CE2 3.48Å; Y298-F300 VanDerWaalsContact CE1-CE2 3.48Å; Y298-F300 AromaticContact CE1-CZ 3.85Å; Y298-F300 HydrophobicContact CE1-CZ 3.85Å; Y298-F300 HydrophobicContact CG-CD2 4.15Å; Y298-F300 HydrophobicContact CG-CE2 4.05Å; F300-N302 PolarHBondContact O-N 3.47Å; F300-K303 PolarHBondContact O-N 3.49Å; F300-I304 HydrophobicContact CB-CD1 3.99Å; F300-I304 VanDerWaalsContact O-CB 3.3Å; F300-I304 WeakPolarHBondContact O-CB 3.32Å; F300-I304 WeakPolarHBondContact O-CG1 3.45Å; F300-I304 PolarHBondContact O-N 2.94Å
301	K	97.3	Very high	89.5	Confident	95 Å²	95	65.2 Å²	65.2	41%	0.413	39%	0.391	S	S	.	.	H	α-helix	trans	-51.9	-60.6	-178.1	175.1	165	166	50.9	0	111.3	Y285 K303 I304 D305	Y285-K301 HydrophobicContact CD2-CB 4.4Å; Y285-K301 HydrophobicContact CE2-CB 3.57Å; Y285-K301 HydrophobicContact CE2-CG 4.19Å; Y285-K301 WeakPolarHBondContact OH-CG 3.46Å; K301-K303 VanDerWaalsContact C-N 3.34Å; K301-K303 PolarHBondContact O-N 3.26Å; K301-I304 PolarHBondContact O-N 2.8Å; K301-D305 WeakPolarHBondContact CG-OD2 3.42Å; K301-D305 IonicContact NZ-OD2 2.64Å; K301-D305 PolarHBondContact NZ-OD2 2.93Å; K301-D305 WeakPolarHBondContact O-CB 3.35Å; K301-D305 PolarHBondContact O-N 2.6Å
302	N	96.5	Very high	90.8	Very high	87 Å²	87	62.8 Å²	62.8	47%	0.465	38%	0.381	S	S	.	.	H	α-helix	trans	-62.2	-43	-175	-63.1	-34.4	0	0	0	111.5	D299 F300 Q306	D299-N302 PolarHBondContact OD1-ND2 3.18Å; D299-N302 VanDerWaalsContact OD1-ND2 3.13Å; F300-N302 PolarHBondContact O-N 3.47Å; N302-Q306 WeakPolarHBondContact O-CB 3.37Å; N302-Q306 WeakPolarHBondContact O-CG 3.32Å; N302-Q306 PolarHBondContact O-N 2.96Å
303	K	98	Very high	92.4	Very high	89 Å²	89	57.2 Å²	57.2	39%	0.387	34%	0.341	S	S	.	.	H	α-helix	trans	-66.5	-45.7	-178.6	-68	179.7	-179.1	166.8	0	112.8	A146 L147 D299 F300 K301 A307	A146-K303 HydrophobicContact CB-CB 4.05Å; A146-K303 VanDerWaalsContact CB-O 3.31Å; A146-K303 WeakPolarHBondContact CB-O 3.48Å; L147-K303 HydrophobicContact CD2-CB 4.49Å; L147-K303 HydrophobicContact CD2-CD 4.16Å; D299-K303 WeakPolarHBondContact O-CD 3.42Å; D299-K303 WeakPolarHBondContact O-CG 3.19Å; D299-K303 VanDerWaalsContact OD2-CE 3.26Å; D299-K303 WeakPolarHBondContact OD2-CE 3.24Å; D299-K303 IonicContact OD2-NZ 3.74Å; F300-K303 PolarHBondContact O-N 3.49Å; K301-K303 VanDerWaalsContact C-N 3.34Å; K301-K303 PolarHBondContact O-N 3.26Å; K303-A307 VanDerWaalsContact O-CB 3.25Å; K303-A307 WeakPolarHBondContact O-CB 3.4Å; K303-A307 PolarHBondContact O-N 3.05Å
304	I	98.7	Very high	94	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-68.7	-46.9	179.7	-69.3	169.6	0	0	0	109.7	N130 A146 I266 I283 Y285 F300 K301 Q306 A307 V308	N130-I304 HydrophobicContact CB-CG2 4.36Å; A146-I304 HydrophobicContact CB-CG1 4.09Å; I266-I304 HydrophobicContact CD1-CD1 3.81Å; I266-I304 HydrophobicContact CG1-CD1 4.34Å; I283-I304 HydrophobicContact CB-CG2 4.32Å; I283-I304 HydrophobicContact CD1-CG2 3.96Å; I283-I304 HydrophobicContact CG2-CD1 4.01Å; I283-I304 HydrophobicContact CG2-CG2 3.9Å; Y285-I304 HydrophobicContact CD1-CB 4.45Å; Y285-I304 HydrophobicContact CD1-CD1 3.65Å; Y285-I304 HydrophobicContact CD1-CG2 4.34Å; Y285-I304 HydrophobicContact CE1-CG2 4.49Å; Y285-I304 HydrophobicContact CG-CD1 3.86Å; F300-I304 HydrophobicContact CB-CD1 3.99Å; F300-I304 VanDerWaalsContact O-CB 3.3Å; F300-I304 WeakPolarHBondContact O-CB 3.32Å; F300-I304 WeakPolarHBondContact O-CG1 3.45Å; F300-I304 PolarHBondContact O-N 2.94Å; K301-I304 PolarHBondContact O-N 2.8Å; I304-Q306 PolarHBondContact O-N 3.27Å; I304-A307 PolarHBondContact O-N 2.81Å; I304-V308 HydrophobicContact CG2-CG2 4.46Å; I304-V308 WeakPolarHBondContact O-CG2 3.32Å; I304-V308 PolarHBondContact O-N 3.45Å
305	D	98.6	Very high	95.5	Very high	10 Å²	10	52.9 Å²	52.9	5%	0.053	30%	0.299	C	S	.	.	H	α-helix	trans	-60.4	-46.9	179.8	-72.6	-8.6	0	0	0	110.7	Y93 N130 K301 A307 V308 F309	Y93-D305 HydrophobicContact CD2-CB 4.42Å; Y93-D305 HydrophobicContact CE1-CB 4.32Å; Y93-D305 HydrophobicContact CE2-CB 3.64Å; Y93-D305 VanDerWaalsContact OH-C 3.26Å; Y93-D305 WeakPolarHBondContact OH-CA 3.35Å; Y93-D305 PolarHBondContact OH-O 3.48Å; N130-D305 PolarHBondContact ND2-OD1 3.17Å; K301-D305 WeakPolarHBondContact CG-OD2 3.42Å; K301-D305 IonicContact NZ-OD2 2.64Å; K301-D305 PolarHBondContact NZ-OD2 2.93Å; K301-D305 WeakPolarHBondContact O-CB 3.35Å; K301-D305 PolarHBondContact O-N 2.6Å; D305-A307 VanDerWaalsContact C-N 3.33Å; D305-A307 PolarHBondContact O-N 2.86Å; D305-V308 PolarHBondContact O-N 2.89Å; D305-F309 CarbonylContact C-O 3.57Å; D305-F309 CarbonylContact O-C 3.56Å; D305-F309 PolarHBondContact O-N 3.4Å
306	Q	98.3	Very high	96.4	Very high	127 Å²	127	47.8 Å²	47.8	59%	0.593	26%	0.263	S	S	*	.	H	α-helix	trans	-65.2	-33.6	177.2	-72	173.3	12.1	0	0	113.3	N302 I304 F309 G311	N302-Q306 WeakPolarHBondContact O-CB 3.37Å; N302-Q306 WeakPolarHBondContact O-CG 3.32Å; N302-Q306 PolarHBondContact O-N 2.96Å; I304-Q306 PolarHBondContact O-N 3.27Å; Q306-F309 CarbonylContact C-O 3.59Å; Q306-F309 VanDerWaalsContact CA-O 3.29Å; Q306-F309 WeakPolarHBondContact CA-O 3.36Å; Q306-F309 CarbonylContact O-C 3.29Å; Q306-F309 VanDerWaalsContact O-C 3.29Å; Q306-G311 WeakPolarHBondContact O-CA 3.33Å; Q306-G311 PolarHBondContact O-N 3.24Å
307	A	98.6	Very high	97.1	Very high	6 Å²	6	48.2 Å²	48.2	5%	0.05	26%	0.26	C	S	.	.	I	π-helix	trans	-70.9	-38.8	176	0	0	0	0	0	112.1	A142 T145 A146 K303 I304 D305 G311 L312	A142-A307 WeakPolarHBondContact O-CB 3.3Å; T145-A307 HydrophobicContact CG2-CB 4.2Å; A146-A307 HydrophobicContact CB-CB 3.71Å; K303-A307 VanDerWaalsContact O-CB 3.25Å; K303-A307 WeakPolarHBondContact O-CB 3.4Å; K303-A307 PolarHBondContact O-N 3.05Å; I304-A307 PolarHBondContact O-N 2.81Å; D305-A307 VanDerWaalsContact C-N 3.33Å; D305-A307 PolarHBondContact O-N 2.86Å; A307-G311 CarbonylContact O-C 3.55Å; A307-G311 WeakPolarHBondContact O-CA 3.44Å; A307-L312 WeakPolarHBondContact O-CB 3.49Å; A307-L312 WeakPolarHBondContact O-CD1 3.42Å; A307-L312 VanDerWaalsContact O-CG 3.24Å; A307-L312 WeakPolarHBondContact O-CG 3.46Å; A307-L312 PolarHBondContact O-N 3.43Å
308	V	98.8	Very high	97.6	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	24%	0.236	C	C	.	.	I	π-helix	trans	-65.1	-54.9	173.4	171.8	0	0	0	0	109.5	Q132 P133 A142 I283 I304 D305 L312 Q313	Q132-V308 HydrophobicContact CB-CG1 4.12Å; P133-V308 HydrophobicContact CG-CG2 4.32Å; A142-V308 HydrophobicContact CB-CG2 3.77Å; I283-V308 HydrophobicContact CD1-CG2 3.97Å; I304-V308 HydrophobicContact CG2-CG2 4.46Å; I304-V308 WeakPolarHBondContact O-CG2 3.32Å; I304-V308 PolarHBondContact O-N 3.45Å; D305-V308 PolarHBondContact O-N 2.89Å; V308-L312 PolarHBondContact O-N 2.86Å; V308-Q313 WeakPolarHBondContact O-CB 3.16Å; V308-Q313 PolarHBondContact O-N 3.43Å
309	F	98.7	Very high	98	Very high	14 Å²	14	42.5 Å²	42.5	6%	0.061	23%	0.234	C	C	.	.	I	π-helix	trans	-143.2	128	177.8	172.6	-87.4	0	0	0	109.8	E91 Y98 D305 Q306 Q313 G314	E91-F309 HydrophobicContact CB-CE2 3.81Å; E91-F309 HydrophobicContact CB-CZ 3.7Å; E91-F309 HydrophobicContact CG-CD2 4.32Å; E91-F309 HydrophobicContact CG-CE2 3.53Å; E91-F309 HydrophobicContact CG-CZ 3.95Å; Y98-F309 HydrophobicContact CD2-CE1 4.01Å; Y98-F309 HydrophobicContact CD2-CZ 4.02Å; Y98-F309 AromaticContact CE2-CE1 3.4Å; Y98-F309 HydrophobicContact CE2-CE1 3.4Å; Y98-F309 AromaticContact CE2-CZ 3.71Å; Y98-F309 HydrophobicContact CE2-CZ 3.71Å; Y98-F309 AromaticContact CZ-CE1 3.98Å; D305-F309 CarbonylContact C-O 3.57Å; D305-F309 CarbonylContact O-C 3.56Å; D305-F309 PolarHBondContact O-N 3.4Å; Q306-F309 CarbonylContact C-O 3.59Å; Q306-F309 VanDerWaalsContact CA-O 3.29Å; Q306-F309 WeakPolarHBondContact CA-O 3.36Å; Q306-F309 CarbonylContact O-C 3.29Å; Q306-F309 VanDerWaalsContact O-C 3.29Å; F309-Q313 WeakPolarHBondContact CD2-O 3.43Å; F309-G314 WeakPolarHBondContact CD2-O 3.45Å
310	P	98.3	Very high	98.2	Very high	88 Å²	88	39.8 Å²	39.8	57%	0.571	22%	0.221	S	C	*	.	I	π-helix	cis	-90.3	10.1	8.6	36.5	-37.5	0	0	0	114.1
311	G	98.1	Very high	98.3	Very high	50 Å²	50	39.8 Å²	39.8	52%	0.515	22%	0.221	S	C	.	.	I	π-helix	trans	-65.7	-42.4	-169.8	0	0	0	0	0	115.3	Q306 A307	Q306-G311 WeakPolarHBondContact O-CA 3.33Å; Q306-G311 PolarHBondContact O-N 3.24Å; A307-G311 CarbonylContact O-C 3.55Å; A307-G311 WeakPolarHBondContact O-CA 3.44Å
312	L	98.4	Very high	98.4	Very high	79 Å²	79	35.4 Å²	35.4	41%	0.414	20%	0.203	S	C	.	.	I	π-helix	trans	-131.3	-27.8	-170.3	-66.7	169.3	0	0	0	114.5	F141 A142 T145 A307 V308	F141-L312 HydrophobicContact CD1-CD1 3.92Å; F141-L312 HydrophobicContact CD1-CD2 4.03Å; F141-L312 HydrophobicContact CE1-CD2 3.99Å; A142-L312 VanDerWaalsContact CA-CD1 3.47Å; A142-L312 HydrophobicContact CB-CD1 3.79Å; T145-L312 HydrophobicContact CG2-CD1 4.48Å; A307-L312 WeakPolarHBondContact O-CB 3.49Å; A307-L312 WeakPolarHBondContact O-CD1 3.42Å; A307-L312 VanDerWaalsContact O-CG 3.24Å; A307-L312 WeakPolarHBondContact O-CG 3.46Å; A307-L312 PolarHBondContact O-N 3.43Å; V308-L312 PolarHBondContact O-N 2.86Å
313	Q	98.7	Very high	98.5	Very high	20 Å²	20	31.3 Å²	31.3	9%	0.093	18%	0.181	C	C	.	.			trans	-120	161.7	-178.8	-55.5	-170.3	163.1	0	0	110.9	Q132 Y134 V308 F309	Q132-Q313 PolarHBondContact O-NE2 2.77Å; Y134-Q313 HydrophobicContact CD2-CG 3.97Å; Y134-Q313 VanDerWaalsContact CD2-OE1 3.29Å; Y134-Q313 HydrophobicContact CE2-CB 3.79Å; Y134-Q313 HydrophobicContact CE2-CG 3.63Å; V308-Q313 WeakPolarHBondContact O-CB 3.16Å; V308-Q313 PolarHBondContact O-N 3.43Å; F309-Q313 WeakPolarHBondContact CD2-O 3.43Å
314	G	98.4	Very high	98.5	Very high	23 Å²	23	27.1 Å²	27.1	24%	0.237	16%	0.163	C	C	.	.			trans	-101.2	-125.6	169.5	0	0	0	0	0	110.6	F309	F309-G314 WeakPolarHBondContact CD2-O 3.45Å
315	G	97.4	Very high	98.5	Very high	8 Å²	8	27.1 Å²	27.1	8%	0.082	16%	0.163	C	C	.	.	S	Bend	trans	-58.2	130.5	177.3	0	0	0	0	0	114.5	Y89 Y134	Y89-G315 PolarHBondContact OH-N 3.01Å; Y134-G315 PolarHBondContact OH-O 3.33Å
316	P	98.4	Very high	98.5	Very high	7 Å²	7	28.3 Å²	28.3	5%	0.045	17%	0.171	C	C	.	.			trans	-62.2	151.9	171.9	26.3	-36.2	0	0	0	112.4	A90 Q132 E318 I321	A90-P316 HydrophobicContact CB-CG 4.16Å; A90-P316 WeakPolarHBondContact O-CD 3.19Å; A90-P316 WeakPolarHBondContact O-CG 3.33Å; Q132-P316 HydrophobicContact CB-CB 4.37Å; Q132-P316 HydrophobicContact CG-CB 4.05Å; P316-E318 WeakPolarHBondContact CG-OE1 3.23Å; P316-E318 PolarHBondContact O-N 2.69Å; P316-I321 HydrophobicContact CB-CD1 4Å
317	H	98.7	Very high	98.6	Very high	93 Å²	93	22.4 Å²	22.4	43%	0.431	14%	0.144	S	C	.	.			trans	-88	87.8	175.2	-69	-176.2	0	0	0	110.4	Y134 N319 S320 I321	Y134-H317 AromaticContact CD1-CD2 3.91Å; Y134-H317 AromaticContact CD1-CE1 3.84Å; Y134-H317 AromaticContact CD1-CG 3.87Å; Y134-H317 AromaticContact CD1-ND1 3.83Å; Y134-H317 AromaticContact CD1-NE2 3.89Å; Y134-H317 AromaticContact CE1-CD2 3.42Å; Y134-H317 VanDerWaalsContact CE1-CD2 3.42Å; Y134-H317 WeakPolarHBondContact CE1-CD2 3.46Å; Y134-H317 AromaticContact CE1-CE1 3.99Å; Y134-H317 AromaticContact CE1-CG 3.82Å; Y134-H317 AromaticContact CE1-NE2 3.55Å; Y134-H317 AromaticContact CZ-NE2 3.94Å; H317-N319 PolarHBondContact O-N 3.07Å; H317-S320 WeakPolarHBondContact O-CA 3.42Å; H317-S320 VanDerWaalsContact O-CB 3.28Å; H317-S320 WeakPolarHBondContact O-CB 3.44Å; H317-S320 PolarHBondContact O-N 3.15Å; H317-I321 PolarHBondContact O-N 2.74Å
318	E	98.6	Very high	98.6	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.009	14%	0.141	C	C	.	.	H	α-helix	trans	-64.2	-35.2	-170.3	-62.8	-58.7	164.1	0	0	114.5	L85 A90 R97 I105 P316 S320 I321 A322	L85-E318 HydrophobicContact CB-CB 4.02Å; A90-E318 HydrophobicContact CB-CG 4.25Å; A90-E318 WeakPolarHBondContact CB-OE1 3.25Å; R97-E318 IonicContact NH1-OE1 3.95Å; I105-E318 HydrophobicContact CD1-CB 4.14Å; I105-E318 HydrophobicContact CD1-CG 4.08Å; I105-E318 HydrophobicContact CG2-CG 3.78Å; I105-E318 VanDerWaalsContact CG2-OE1 3.31Å; I105-E318 WeakPolarHBondContact CG2-OE1 3.48Å; I105-E318 WeakPolarHBondContact CG2-OE2 3.4Å; P316-E318 WeakPolarHBondContact CG-OE1 3.23Å; P316-E318 PolarHBondContact O-N 2.69Å; E318-S320 VanDerWaalsContact C-N 3.27Å; E318-S320 PolarHBondContact O-N 3.27Å; E318-I321 PolarHBondContact O-N 2.97Å; E318-A322 PolarHBondContact O-N 3.4Å
319	N	98.5	Very high	98.6	Very high	18 Å²	18	28.2 Å²	28.2	10%	0.096	17%	0.168	C	C	.	.	H	α-helix	trans	-61.1	-36.1	170.2	62.6	-41.9	0	0	0	112.3	L81 L85 H86 H317 A323	L81-N319 PolarHBondContact O-ND2 3.15Å; L85-N319 HydrophobicContact CB-CB 4.48Å; H86-N319 HydrophobicContact CB-CB 4.1Å; H86-N319 PolarHBondContact ND1-ND2 3.09Å; H317-N319 PolarHBondContact O-N 3.07Å; N319-A323 WeakPolarHBondContact O-CB 3.41Å; N319-A323 PolarHBondContact O-N 3.03Å
320	S	98.6	Very high	98.6	Very high	16 Å²	16	30.4 Å²	30.4	11%	0.112	18%	0.18	C	C	.	.	H	α-helix	trans	-69.5	-42.3	174.5	-60.1	0	0	0	0	110.8	H317 E318 A322 A323 I324	H317-S320 WeakPolarHBondContact O-CA 3.42Å; H317-S320 VanDerWaalsContact O-CB 3.28Å; H317-S320 WeakPolarHBondContact O-CB 3.44Å; H317-S320 PolarHBondContact O-N 3.15Å; E318-S320 VanDerWaalsContact C-N 3.27Å; E318-S320 PolarHBondContact O-N 3.27Å; S320-A322 VanDerWaalsContact C-N 3.32Å; S320-A322 PolarHBondContact O-N 3.47Å; S320-A323 CarbonylContact O-C 3.4Å; S320-A323 PolarHBondContact O-N 3.25Å; S320-I324 WeakPolarHBondContact O-CG1 3.23Å; S320-I324 PolarHBondContact O-N 3.42Å
321	I	98.8	Very high	98.6	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-60.3	-42.1	176	-67.3	171.6	0	0	0	111.1	E109 C112 V131 Q132 P316 H317 E318 I324 A325	E109-I321 HydrophobicContact CB-CG2 4.25Å; E109-I321 HydrophobicContact CG-CD1 4.44Å; E109-I321 HydrophobicContact CG-CG2 4.27Å; C112-I321 HydrophobicContact CB-CG2 3.74Å; C112-I321 PolarHBondContact SG-O 3.41Å; V131-I321 HydrophobicContact CG2-CD1 4.46Å; V131-I321 HydrophobicContact CG2-CG1 4.44Å; V131-I321 HydrophobicContact CG2-CG2 4.21Å; Q132-I321 HydrophobicContact CG-CD1 4.17Å; P316-I321 HydrophobicContact CB-CD1 4Å; H317-I321 PolarHBondContact O-N 2.74Å; E318-I321 PolarHBondContact O-N 2.97Å; I321-I324 WeakPolarHBondContact O-CB 3.47Å; I321-I324 PolarHBondContact O-N 3.04Å; I321-A325 PolarHBondContact O-N 3.21Å
322	A	98.8	Very high	98.6	Very high	4 Å²	4	26.3 Å²	26.3	3%	0.033	15%	0.148	C	C	.	.	H	α-helix	trans	-60.7	-45.9	173.6	0	0	0	0	0	112.1	A80 L85 M108 E318 S320 I324 A325 V326	A80-A322 HydrophobicContact CB-CB 4.5Å; L85-A322 HydrophobicContact CD2-CB 3.73Å; M108-A322 HydrophobicContact CE-CB 4.18Å; M108-A322 HydrophobicContact CG-CB 3.91Å; M108-A322 HydrophobicContact SD-CB 3.91Å; E318-A322 PolarHBondContact O-N 3.4Å; S320-A322 VanDerWaalsContact C-N 3.32Å; S320-A322 PolarHBondContact O-N 3.47Å; A322-I324 VanDerWaalsContact C-N 3.33Å; A322-I324 PolarHBondContact O-N 3.49Å; A322-A325 WeakPolarHBondContact O-CB 3.21Å; A322-A325 PolarHBondContact O-N 3.02Å; A322-A325 VanDerWaalsContact O-N 3.17Å; A322-V326 WeakPolarHBondContact O-CG2 3.37Å; A322-V326 PolarHBondContact O-N 3.43Å
323	A	98.8	Very high	98.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.1	-35.2	176.4	0	0	0	0	0	112.9	V77 A80 L81 P278 N319 S320 V326 A327	V77-A323 HydrophobicContact CG1-CB 4.22Å; A80-A323 HydrophobicContact CB-CB 3.95Å; L81-A323 HydrophobicContact CD2-CB 3.84Å; L81-A323 HydrophobicContact CG-CB 3.65Å; P278-A323 HydrophobicContact CB-CB 3.93Å; P278-A323 HydrophobicContact CG-CB 3.74Å; N319-A323 WeakPolarHBondContact O-CB 3.41Å; N319-A323 PolarHBondContact O-N 3.03Å; S320-A323 CarbonylContact O-C 3.4Å; S320-A323 PolarHBondContact O-N 3.25Å; A323-V326 PolarHBondContact O-N 2.8Å; A323-A327 WeakPolarHBondContact O-CB 3.03Å; A323-A327 PolarHBondContact O-N 2.66Å
324	I	98.9	Very high	98.6	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-62.7	-47.2	171.5	-64.9	165.9	0	0	0	109.5	C112 I271 P278 A280 I282 S320 I321 A322 V326 A327 L328	C112-I324 WeakPolarHBondContact SG-CG2 3.27Å; I271-I324 HydrophobicContact CG1-CD1 4.48Å; I271-I324 HydrophobicContact CG1-CG1 4.17Å; I271-I324 HydrophobicContact CG1-CG2 4.35Å; I271-I324 HydrophobicContact CG2-CG1 4.35Å; I271-I324 HydrophobicContact CG2-CG2 4.42Å; P278-I324 HydrophobicContact CG-CB 4.45Å; P278-I324 HydrophobicContact CG-CG1 3.63Å; A280-I324 HydrophobicContact CB-CD1 3.46Å; A280-I324 VanDerWaalsContact CB-CD1 3.46Å; A280-I324 HydrophobicContact CB-CG1 3.89Å; I282-I324 HydrophobicContact CD1-CG2 3.81Å; I282-I324 HydrophobicContact CG1-CG2 4.43Å; S320-I324 WeakPolarHBondContact O-CG1 3.23Å; S320-I324 PolarHBondContact O-N 3.42Å; I321-I324 WeakPolarHBondContact O-CB 3.47Å; I321-I324 PolarHBondContact O-N 3.04Å; A322-I324 VanDerWaalsContact C-N 3.33Å; A322-I324 PolarHBondContact O-N 3.49Å; I324-V326 VanDerWaalsContact C-N 3.27Å; I324-V326 PolarHBondContact O-N 3.07Å; I324-A327 PolarHBondContact O-N 3Å; I324-A327 VanDerWaalsContact O-N 3.14Å; I324-L328 HydrophobicContact CG2-CD1 3.59Å; I324-L328 HydrophobicContact CG2-CG 4.12Å; I324-L328 WeakPolarHBondContact O-CB 3.45Å; I324-L328 VanDerWaalsContact O-CG 3.29Å; I324-L328 WeakPolarHBondContact O-CG 3.28Å; I324-L328 PolarHBondContact O-N 2.99Å
325	A	98.9	Very high	98.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59	-39.1	178.8	0	0	0	0	0	111.9	M108 C112 R115 I321 A322 K329	M108-A325 HydrophobicContact SD-CB 4.21Å; C112-A325 HydrophobicContact CB-CB 3.87Å; R115-A325 WeakPolarHBondContact CD-O 3.26Å; R115-A325 PolarHBondContact NH1-O 3.36Å; I321-A325 PolarHBondContact O-N 3.21Å; A322-A325 WeakPolarHBondContact O-CB 3.21Å; A322-A325 PolarHBondContact O-N 3.02Å; A322-A325 VanDerWaalsContact O-N 3.17Å; A325-K329 PolarHBondContact O-N 3.12Å; A325-K329 VanDerWaalsContact O-N 3.17Å
326	V	98.8	Very high	98.6	Very high	36 Å²	36	36.6 Å²	36.6	22%	0.218	19%	0.194	C	C	.	.	H	α-helix	trans	-65.5	-48.6	173.8	175.9	0	0	0	0	111	A76 V77 A80 A322 A323 I324 L328 K329 L330	A76-V326 HydrophobicContact CB-CG1 3.85Å; V77-V326 HydrophobicContact CG2-CB 4.26Å; V77-V326 HydrophobicContact CG2-CG1 3.89Å; A80-V326 HydrophobicContact CB-CG2 4.1Å; A322-V326 WeakPolarHBondContact O-CG2 3.37Å; A322-V326 PolarHBondContact O-N 3.43Å; A323-V326 PolarHBondContact O-N 2.8Å; I324-V326 VanDerWaalsContact C-N 3.27Å; I324-V326 PolarHBondContact O-N 3.07Å; V326-L328 VanDerWaalsContact C-N 3.31Å; V326-L328 PolarHBondContact O-N 3.37Å; V326-K329 WeakPolarHBondContact O-CB 3.37Å; V326-K329 PolarHBondContact O-N 2.94Å; V326-K329 VanDerWaalsContact O-N 3.17Å; V326-L330 HydrophobicContact CG1-CD1 4.4Å; V326-L330 PolarHBondContact O-N 3.44Å; V326-L330 VanDerWaalsContact O-N 3.11Å
327	A	98.8	Very high	98.6	Very high	3 Å²	3	37.9 Å²	37.9	3%	0.025	20%	0.201	C	C	.	.	H	α-helix	trans	-59.1	-41.4	179.2	0	0	0	0	0	112.3	V77 I271 A323 I324 L330 A331	V77-A327 HydrophobicContact CG2-CB 3.87Å; I271-A327 HydrophobicContact CG2-CB 4.27Å; A323-A327 WeakPolarHBondContact O-CB 3.03Å; A323-A327 PolarHBondContact O-N 2.66Å; I324-A327 PolarHBondContact O-N 3Å; I324-A327 VanDerWaalsContact O-N 3.14Å; A327-L330 PolarHBondContact O-N 2.99Å; A327-A331 WeakPolarHBondContact O-CB 3.46Å; A327-A331 PolarHBondContact O-N 3Å
328	L	98.9	Very high	98.6	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-68.1	-33.5	178	-68.3	166.9	0	0	0	112.8	R115 A116 A119 F120 L275 I282 I324 V326 L330 A331 A332	R115-L328 HydrophobicContact CB-CB 3.87Å; R115-L328 HydrophobicContact CB-CD1 4.25Å; A116-L328 HydrophobicContact CB-CD1 3.73Å; A119-L328 HydrophobicContact CB-CB 4.49Å; A119-L328 HydrophobicContact CB-CD2 4Å; F120-L328 HydrophobicContact CE2-CD2 4.39Å; L275-L328 HydrophobicContact CD2-CD2 4.18Å; I282-L328 HydrophobicContact CD1-CD1 4.14Å; I324-L328 HydrophobicContact CG2-CD1 3.59Å; I324-L328 HydrophobicContact CG2-CG 4.12Å; I324-L328 WeakPolarHBondContact O-CB 3.45Å; I324-L328 VanDerWaalsContact O-CG 3.29Å; I324-L328 WeakPolarHBondContact O-CG 3.28Å; I324-L328 PolarHBondContact O-N 2.99Å; V326-L328 VanDerWaalsContact C-N 3.31Å; V326-L328 PolarHBondContact O-N 3.37Å; L328-L330 VanDerWaalsContact C-N 3.34Å; L328-A331 PolarHBondContact O-N 2.75Å; L328-A332 PolarHBondContact O-N 3.24Å
329	K	98.8	Very high	98.7	Very high	128 Å²	128	39.2 Å²	39.2	56%	0.557	21%	0.207	S	C	*	.	H	α-helix	trans	-62.2	-44.3	171.3	-178.1	-172.2	170	87.2	0	110.6	A325 V326 A332	A325-K329 PolarHBondContact O-N 3.12Å; A325-K329 VanDerWaalsContact O-N 3.17Å; V326-K329 WeakPolarHBondContact O-CB 3.37Å; V326-K329 PolarHBondContact O-N 2.94Å; V326-K329 VanDerWaalsContact O-N 3.17Å; K329-A332 PolarHBondContact O-N 3.18Å
330	L	98.6	Very high	98.7	Very high	60 Å²	60	38.3 Å²	38.3	31%	0.314	20%	0.202	S	C	.	.	H	α-helix	trans	-67.1	-39.1	177.4	-63.7	173.4	0	0	0	111.5	S74 V77 V326 A327 L328 A332 T333 F336	S74-L330 VanDerWaalsContact OG-CD1 3.24Å; S74-L330 WeakPolarHBondContact OG-CD1 3.33Å; V77-L330 HydrophobicContact CG2-CD1 4.44Å; V326-L330 HydrophobicContact CG1-CD1 4.4Å; V326-L330 PolarHBondContact O-N 3.44Å; V326-L330 VanDerWaalsContact O-N 3.11Å; A327-L330 PolarHBondContact O-N 2.99Å; L328-L330 VanDerWaalsContact C-N 3.34Å; L330-A332 PolarHBondContact O-N 2.78Å; L330-T333 WeakPolarHBondContact O-CB 3.19Å; L330-T333 WeakPolarHBondContact O-CG2 3.31Å; L330-T333 PolarHBondContact O-N 3.35Å; L330-T333 VanDerWaalsContact O-N 3.09Å; L330-T333 PolarHBondContact O-OG1 3.38Å; L330-F336 WeakPolarHBondContact O-CB 3.24Å
331	A	98.6	Very high	98.7	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.008	21%	0.214	C	C	.	.	H	α-helix	trans	-61.6	-23.7	178.6	0	0	0	0	0	113.6	L275 A327 L328 T333 F336	L275-A331 HydrophobicContact CD1-CB 3.81Å; A327-A331 WeakPolarHBondContact O-CB 3.46Å; A327-A331 PolarHBondContact O-N 3Å; L328-A331 PolarHBondContact O-N 2.75Å; A331-T333 VanDerWaalsContact C-N 3.35Å; A331-F336 HydrophobicContact CB-CD1 4.12Å; A331-F336 HydrophobicContact CB-CE1 3.9Å; A331-F336 HydrophobicContact CB-CE2 4.46Å; A331-F336 HydrophobicContact CB-CG 4.48Å; A331-F336 HydrophobicContact CB-CZ 4.06Å; A331-F336 VanDerWaalsContact O-CD1 3.24Å; A331-F336 WeakPolarHBondContact O-CD1 3.22Å
332	A	97.8	Very high	98.7	Very high	50 Å²	50	42.3 Å²	42.3	41%	0.413	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	10.3	177.6	0	0	0	0	0	114.1	L328 K329 L330	L328-A332 PolarHBondContact O-N 3.24Å; K329-A332 PolarHBondContact O-N 3.18Å; L330-A332 PolarHBondContact O-N 2.78Å
333	T	98.5	Very high	98.7	Very high	50 Å²	50	42.1 Å²	42.1	31%	0.307	22%	0.216	S	C	.	.	S	Bend	trans	-95	152	179.2	64.2	0	0	0	0	112.3	L330 A331 E335 F336 V337	L330-T333 WeakPolarHBondContact O-CB 3.19Å; L330-T333 WeakPolarHBondContact O-CG2 3.31Å; L330-T333 PolarHBondContact O-N 3.35Å; L330-T333 VanDerWaalsContact O-N 3.09Å; L330-T333 PolarHBondContact O-OG1 3.38Å; A331-T333 VanDerWaalsContact C-N 3.35Å; T333-E335 PolarHBondContact O-N 2.86Å; T333-F336 WeakPolarHBondContact O-CB 2.99Å; T333-F336 PolarHBondContact O-N 2.88Å; T333-F336 VanDerWaalsContact O-N 3.07Å; T333-F336 PolarHBondContact OG1-N 2.63Å; T333-V337 PolarHBondContact O-N 2.86Å; T333-V337 VanDerWaalsContact O-N 3.14Å
334	D	98.5	Very high	98.7	Very high	139 Å²	139	43.9 Å²	43.9	74%	0.743	23%	0.225	S	C	*	.	H	α-helix	trans	-59.6	-35.7	173.9	-66.9	-21	0	0	0	112.2	F336 V337 E338	D334-F336 VanDerWaalsContact C-N 3.28Å; D334-F336 PolarHBondContact O-N 2.98Å; D334-V337 WeakPolarHBondContact O-CB 3.06Å; D334-V337 PolarHBondContact O-N 3.35Å; D334-V337 VanDerWaalsContact O-N 3.15Å; D334-E338 PolarHBondContact O-N 3.02Å
335	E	98.4	Very high	98.7	Very high	154 Å²	154	48.8 Å²	48.8	72%	0.72	25%	0.247	S	C	*	.	H	α-helix	trans	-58.4	-41.3	174.7	-172.6	-171.1	162.1	0	0	111.5	T333 E338 Y339	T333-E335 PolarHBondContact O-N 2.86Å; E335-E338 PolarHBondContact O-N 3.4Å; E335-Y339 WeakPolarHBondContact O-CB 3.48Å; E335-Y339 PolarHBondContact O-N 3.07Å
336	F	98.7	Very high	98.7	Very high	3 Å²	3	48.8 Å²	48.8	1%	0.013	25%	0.247	C	C	.	.	H	α-helix	trans	-69.1	-37.6	176.8	-171.6	-93.7	0	0	0	112.1	A254 L275 R276 L330 A331 T333 D334 Y339 Q340	A254-F336 HydrophobicContact CB-CD1 4.33Å; A254-F336 HydrophobicContact CB-CE1 4.47Å; L275-F336 HydrophobicContact CD1-CZ 4.18Å; R276-F336 HydrophobicContact CB-CE2 4.46Å; L330-F336 WeakPolarHBondContact O-CB 3.24Å; A331-F336 HydrophobicContact CB-CD1 4.12Å; A331-F336 HydrophobicContact CB-CE1 3.9Å; A331-F336 HydrophobicContact CB-CE2 4.46Å; A331-F336 HydrophobicContact CB-CG 4.48Å; A331-F336 HydrophobicContact CB-CZ 4.06Å; A331-F336 VanDerWaalsContact O-CD1 3.24Å; A331-F336 WeakPolarHBondContact O-CD1 3.22Å; T333-F336 WeakPolarHBondContact O-CB 2.99Å; T333-F336 PolarHBondContact O-N 2.88Å; T333-F336 VanDerWaalsContact O-N 3.07Å; T333-F336 PolarHBondContact OG1-N 2.63Å; D334-F336 VanDerWaalsContact C-N 3.28Å; D334-F336 PolarHBondContact O-N 2.98Å; F336-Y339 HydrophobicContact CD2-CD1 4Å; F336-Y339 HydrophobicContact CD2-CE1 4.5Å; F336-Y339 HydrophobicContact CE2-CD1 4.07Å; F336-Y339 HydrophobicContact CE2-CE1 4.12Å; F336-Y339 HydrophobicContact CG-CD1 4.48Å; F336-Y339 WeakPolarHBondContact O-CB 3.44Å; F336-Y339 PolarHBondContact O-N 3.47Å; F336-Q340 HydrophobicContact CD1-CG 3.96Å; F336-Q340 HydrophobicContact CE1-CG 3.7Å; F336-Q340 HydrophobicContact CZ-CG 4.23Å; F336-Q340 WeakPolarHBondContact O-CG 3.37Å; F336-Q340 PolarHBondContact O-N 2.88Å
337	V	98.7	Very high	98.7	Very high	34 Å²	34	47.1 Å²	47.1	21%	0.206	24%	0.237	C	C	.	.	H	α-helix	trans	-60.9	-46.8	173.9	175.8	0	0	0	0	110.8	A254 T333 D334 Y339 Q340 K341	A254-V337 HydrophobicContact CB-CB 4.48Å; A254-V337 HydrophobicContact CB-CG2 4.15Å; T333-V337 PolarHBondContact O-N 2.86Å; T333-V337 VanDerWaalsContact O-N 3.14Å; D334-V337 WeakPolarHBondContact O-CB 3.06Å; D334-V337 PolarHBondContact O-N 3.35Å; D334-V337 VanDerWaalsContact O-N 3.15Å; V337-Y339 PolarHBondContact O-N 2.8Å; V337-Q340 PolarHBondContact O-N 2.8Å; V337-K341 WeakPolarHBondContact O-CG 3.34Å; V337-K341 PolarHBondContact O-N 2.8Å
338	E	98.7	Very high	98.7	Very high	104 Å²	104	52.1 Å²	52.1	49%	0.486	26%	0.258	S	S	.	.	H	α-helix	trans	-64.4	-38.2	176.5	-69.4	-52.1	121.8	0	0	112.4	D334 E335 K341 Q342	D334-E338 PolarHBondContact O-N 3.02Å; E335-E338 PolarHBondContact O-N 3.4Å; E338-K341 PolarHBondContact O-N 3.23Å; E338-K341 WeakPolarHBondContact OE1-CD 3.44Å; E338-K341 IonicContact OE1-NZ 2.82Å; E338-K341 PolarHBondContact OE1-NZ 3.19Å; E338-Q342 WeakPolarHBondContact O-CB 3.48Å; E338-Q342 PolarHBondContact O-N 2.91Å
339	Y	98.8	Very high	98.7	Very high	19 Å²	19	52.5 Å²	52.5	8%	0.075	26%	0.261	C	S	.	.	H	α-helix	trans	-57.3	-48.7	170.7	157.1	-103.9	0	0	0	111.6	N71 E335 F336 V337 K341 Q342 V343 S418 T421 S422	N71-Y339 PolarHBondContact ND2-OH 3Å; E335-Y339 WeakPolarHBondContact O-CB 3.48Å; E335-Y339 PolarHBondContact O-N 3.07Å; F336-Y339 HydrophobicContact CD2-CD1 4Å; F336-Y339 HydrophobicContact CD2-CE1 4.5Å; F336-Y339 HydrophobicContact CE2-CD1 4.07Å; F336-Y339 HydrophobicContact CE2-CE1 4.12Å; F336-Y339 HydrophobicContact CG-CD1 4.48Å; F336-Y339 WeakPolarHBondContact O-CB 3.44Å; F336-Y339 PolarHBondContact O-N 3.47Å; V337-Y339 PolarHBondContact O-N 2.8Å; Y339-K341 PolarHBondContact O-N 3Å; Y339-Q342 WeakPolarHBondContact O-CA 3.33Å; Y339-Q342 WeakPolarHBondContact O-CB 3.44Å; Y339-Q342 PolarHBondContact O-N 3.38Å; Y339-Q342 VanDerWaalsContact O-N 3.12Å; Y339-V343 HydrophobicContact CD2-CG2 4.13Å; Y339-V343 HydrophobicContact CE1-CG2 4.19Å; Y339-V343 HydrophobicContact CE2-CG2 3.58Å; Y339-V343 WeakPolarHBondContact O-CG2 3.48Å; Y339-V343 PolarHBondContact O-N 3.41Å; Y339-S418 PolarHBondContact OH-O 2.94Å; Y339-T421 HydrophobicContact CD2-CG2 3.87Å; Y339-T421 HydrophobicContact CE2-CG2 3.89Å; Y339-S422 VanDerWaalsContact CE2-OG 3.25Å; Y339-S422 WeakPolarHBondContact CE2-OG 3.4Å; Y339-S422 PolarHBondContact OH-OG 3.43Å
340	Q	98.9	Very high	98.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-67.3	-35.6	-179.7	-65.6	-64.6	-2.4	0	0	112.8	L251 A254 V256 S274 F336 V337 Q342 V343 L344	L251-Q340 HydrophobicContact CD2-CB 4.12Å; L251-Q340 VanDerWaalsContact CD2-OE1 3.24Å; A254-Q340 HydrophobicContact CB-CB 3.67Å; A254-Q340 HydrophobicContact CB-CG 3.58Å; V256-Q340 HydrophobicContact CG2-CB 3.91Å; S274-Q340 PolarHBondContact O-NE2 3.47Å; F336-Q340 HydrophobicContact CD1-CG 3.96Å; F336-Q340 HydrophobicContact CE1-CG 3.7Å; F336-Q340 HydrophobicContact CZ-CG 4.23Å; F336-Q340 WeakPolarHBondContact O-CG 3.37Å; F336-Q340 PolarHBondContact O-N 2.88Å; V337-Q340 PolarHBondContact O-N 2.8Å; Q340-Q342 VanDerWaalsContact C-N 3.3Å; Q340-Q342 PolarHBondContact O-N 3.03Å; Q340-V343 WeakPolarHBondContact O-CB 3.37Å; Q340-V343 PolarHBondContact O-N 2.94Å; Q340-L344 PolarHBondContact O-N 3.39Å
341	K	98.9	Very high	98.7	Very high	83 Å²	83	43.5 Å²	43.5	36%	0.361	22%	0.22	S	C	.	.	H	α-helix	trans	-60.4	-42.8	170.1	-70	175.9	-173.4	163.5	0	110.9	V256 V337 E338 Y339 V343 L344 K345	V256-K341 HydrophobicContact CG1-CG 3.67Å; V337-K341 WeakPolarHBondContact O-CG 3.34Å; V337-K341 PolarHBondContact O-N 2.8Å; E338-K341 PolarHBondContact O-N 3.23Å; E338-K341 WeakPolarHBondContact OE1-CD 3.44Å; E338-K341 IonicContact OE1-NZ 2.82Å; E338-K341 PolarHBondContact OE1-NZ 3.19Å; Y339-K341 PolarHBondContact O-N 3Å; K341-V343 VanDerWaalsContact C-N 3.34Å; K341-V343 PolarHBondContact O-N 3.19Å; K341-L344 PolarHBondContact O-N 2.99Å; K341-K345 WeakPolarHBondContact O-CG 3.43Å; K341-K345 PolarHBondContact O-N 3.31Å; K341-K345 VanDerWaalsContact O-N 3.08Å
342	Q	98.9	Very high	98.7	Very high	18 Å²	18	46 Å²	46	8%	0.084	23%	0.233	C	C	.	.	H	α-helix	trans	-63.6	-38.9	176.2	-169.6	68.7	58.5	0	0	111.9	E338 Y339 Q340 L344 K345 N346 T421 K426 E427	E338-Q342 WeakPolarHBondContact O-CB 3.48Å; E338-Q342 PolarHBondContact O-N 2.91Å; Y339-Q342 WeakPolarHBondContact O-CA 3.33Å; Y339-Q342 WeakPolarHBondContact O-CB 3.44Å; Y339-Q342 PolarHBondContact O-N 3.38Å; Y339-Q342 VanDerWaalsContact O-N 3.12Å; Q340-Q342 VanDerWaalsContact C-N 3.3Å; Q340-Q342 PolarHBondContact O-N 3.03Å; Q342-L344 VanDerWaalsContact C-N 3.28Å; Q342-L344 PolarHBondContact O-N 2.81Å; Q342-K345 PolarHBondContact O-N 2.83Å; Q342-N346 PolarHBondContact NE2-OD1 2.95Å; Q342-N346 VanDerWaalsContact O-CB 3.25Å; Q342-N346 WeakPolarHBondContact O-CB 3.39Å; Q342-N346 PolarHBondContact O-N 2.91Å; Q342-T421 HydrophobicContact CB-CG2 3.81Å; Q342-T421 HydrophobicContact CG-CG2 3.64Å; Q342-K426 HydrophobicContact CG-CD 3.88Å; Q342-E427 VanDerWaalsContact NE2-CD 3.26Å; Q342-E427 PolarHBondContact NE2-OE2 3.26Å
343	V	98.9	Very high	98.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-55.6	-44.2	176	168.9	0	0	0	0	110.8	L251 Y339 Q340 K341 S347 H369 S417 T421	L251-V343 HydrophobicContact CD2-CG1 4.32Å; Y339-V343 HydrophobicContact CD2-CG2 4.13Å; Y339-V343 HydrophobicContact CE1-CG2 4.19Å; Y339-V343 HydrophobicContact CE2-CG2 3.58Å; Y339-V343 WeakPolarHBondContact O-CG2 3.48Å; Y339-V343 PolarHBondContact O-N 3.41Å; Q340-V343 WeakPolarHBondContact O-CB 3.37Å; Q340-V343 PolarHBondContact O-N 2.94Å; K341-V343 VanDerWaalsContact C-N 3.34Å; K341-V343 PolarHBondContact O-N 3.19Å; V343-S347 PolarHBondContact O-N 3.02Å; V343-S347 PolarHBondContact O-OG 3.44Å; V343-H369 HydrophobicContact CG1-CB 3.42Å; V343-H369 VanDerWaalsContact CG1-CB 3.42Å; V343-S417 WeakPolarHBondContact CG1-OG 3.45Å; V343-S417 PolarHBondContact O-OG 2.81Å; V343-T421 HydrophobicContact CG2-CG2 3.71Å
344	L	98.9	Very high	98.8	Very high	37 Å²	37	44.1 Å²	44.1	19%	0.194	21%	0.209	C	C	.	.	H	α-helix	trans	-68	-42.8	177	-63.6	178.6	0	0	0	112.9	L251 V256 V257 Q340 K341 Q342 N346 S347 K348	L251-L344 HydrophobicContact CD1-CD2 4.09Å; L251-L344 HydrophobicContact CD2-CD2 3.89Å; L251-L344 HydrophobicContact CD2-CG 4.03Å; V256-L344 HydrophobicContact CB-CD1 3.9Å; V256-L344 HydrophobicContact CG2-CD1 3.81Å; V257-L344 HydrophobicContact CG1-CD1 4.28Å; V257-L344 HydrophobicContact CG1-CD2 4.36Å; Q340-L344 PolarHBondContact O-N 3.39Å; K341-L344 PolarHBondContact O-N 2.99Å; Q342-L344 VanDerWaalsContact C-N 3.28Å; Q342-L344 PolarHBondContact O-N 2.81Å; L344-N346 VanDerWaalsContact C-N 3.3Å; L344-N346 PolarHBondContact O-N 2.94Å; L344-S347 PolarHBondContact O-OG 2.89Å; L344-K348 WeakPolarHBondContact O-CB 3.47Å; L344-K348 PolarHBondContact O-N 2.61Å; L344-K348 VanDerWaalsContact O-N 3.08Å
345	K	98.9	Very high	98.8	Very high	104 Å²	104	40.8 Å²	40.8	45%	0.452	19%	0.191	S	C	.	.	H	α-helix	trans	-62.3	-41	176.6	-67.4	177.9	-173.1	179.1	0	111.4	K341 Q342 K348 A349 E427	K341-K345 WeakPolarHBondContact O-CG 3.43Å; K341-K345 PolarHBondContact O-N 3.31Å; K341-K345 VanDerWaalsContact O-N 3.08Å; Q342-K345 PolarHBondContact O-N 2.83Å; K345-K348 PolarHBondContact O-N 3.27Å; K345-A349 WeakPolarHBondContact O-CB 3.32Å; K345-A349 PolarHBondContact O-N 3.41Å; K345-E427 HydrophobicContact CB-CG 3.93Å; K345-E427 VanDerWaalsContact CD-OE1 3.23Å; K345-E427 WeakPolarHBondContact CD-OE1 3.42Å
346	N	98.9	Very high	98.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-68.4	-44.1	-179.8	-76.7	-4.5	0	0	0	112.9	Q342 L344 K348 A349 L350 T421 L425 K426 E427 F430	Q342-N346 PolarHBondContact NE2-OD1 2.95Å; Q342-N346 VanDerWaalsContact O-CB 3.25Å; Q342-N346 WeakPolarHBondContact O-CB 3.39Å; Q342-N346 PolarHBondContact O-N 2.91Å; L344-N346 VanDerWaalsContact C-N 3.3Å; L344-N346 PolarHBondContact O-N 2.94Å; N346-K348 VanDerWaalsContact C-N 3.3Å; N346-K348 PolarHBondContact O-N 3.02Å; N346-A349 PolarHBondContact O-N 3.01Å; N346-L350 WeakPolarHBondContact O-CB 3.36Å; N346-L350 PolarHBondContact O-N 3.26Å; N346-T421 PolarHBondContact ND2-OG1 2.82Å; N346-L425 PolarHBondContact ND2-O 3.13Å; N346-K426 WeakPolarHBondContact OD1-CA 3.19Å; N346-E427 PolarHBondContact OD1-N 3.49Å; N346-E427 VanDerWaalsContact OD1-N 3.12Å; N346-F430 HydrophobicContact CB-CD1 4.36Å; N346-F430 HydrophobicContact CB-CD2 3.41Å; N346-F430 VanDerWaalsContact CB-CD2 3.41Å; N346-F430 HydrophobicContact CB-CE1 4.42Å; N346-F430 HydrophobicContact CB-CE2 3.5Å; N346-F430 VanDerWaalsContact CB-CE2 3.5Å; N346-F430 HydrophobicContact CB-CG 3.86Å; N346-F430 HydrophobicContact CB-CZ 4Å; N346-F430 WeakPolarHBondContact ND2-CE2 3.44Å
347	S	98.8	Very high	98.8	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.014	19%	0.19	C	C	.	.	H	α-helix	trans	-64.5	-37.5	175.4	55.4	0	0	0	0	111.6	V343 L344 L350 A351 N368 V371	V343-S347 PolarHBondContact O-N 3.02Å; V343-S347 PolarHBondContact O-OG 3.44Å; L344-S347 PolarHBondContact O-OG 2.89Å; S347-L350 PolarHBondContact O-N 3.09Å; S347-A351 WeakPolarHBondContact O-CB 3.4Å; S347-A351 PolarHBondContact O-N 3.18Å; S347-N368 VanDerWaalsContact CB-O 3.27Å; S347-N368 WeakPolarHBondContact CB-O 3.14Å; S347-N368 PolarHBondContact OG-O 2.72Å; S347-V371 WeakPolarHBondContact O-CG2 3.07Å
348	K	98.8	Very high	98.7	Very high	107 Å²	107	41.6 Å²	41.6	47%	0.465	21%	0.21	S	C	.	.	H	α-helix	trans	-62.9	-47.4	172.1	179	162.1	176.3	45.3	0	112.1	L344 K345 N346 L350 A351 D352	L344-K348 WeakPolarHBondContact O-CB 3.47Å; L344-K348 PolarHBondContact O-N 2.61Å; L344-K348 VanDerWaalsContact O-N 3.08Å; K345-K348 PolarHBondContact O-N 3.27Å; N346-K348 VanDerWaalsContact C-N 3.3Å; N346-K348 PolarHBondContact O-N 3.02Å; K348-L350 VanDerWaalsContact C-N 3.3Å; K348-L350 PolarHBondContact O-N 2.82Å; K348-A351 PolarHBondContact O-N 3.48Å; K348-D352 WeakPolarHBondContact CE-OD2 3.46Å; K348-D352 WeakPolarHBondContact CG-OD2 3.39Å; K348-D352 VanDerWaalsContact NZ-CG 3.35Å; K348-D352 IonicContact NZ-OD1 2.79Å; K348-D352 PolarHBondContact NZ-OD1 3.27Å; K348-D352 IonicContact NZ-OD2 3.88Å; K348-D352 PolarHBondContact NZ-OD2 3.36Å; K348-D352 WeakPolarHBondContact O-CB 3.28Å; K348-D352 PolarHBondContact O-N 2.76Å
349	A	98.9	Very high	98.7	Very high	9 Å²	9	37.3 Å²	37.3	7%	0.074	19%	0.189	C	C	.	.	H	α-helix	trans	-59.7	-39.9	177.9	0	0	0	0	0	112.6	K345 N346 R353 E427 F430 R431	K345-A349 WeakPolarHBondContact O-CB 3.32Å; K345-A349 PolarHBondContact O-N 3.41Å; N346-A349 PolarHBondContact O-N 3.01Å; A349-R353 WeakPolarHBondContact O-CB 3Å; A349-R353 PolarHBondContact O-N 3.42Å; A349-E427 HydrophobicContact CB-CB 3.81Å; A349-E427 HydrophobicContact CB-CG 4.16Å; A349-F430 HydrophobicContact CB-CB 4.41Å; A349-R431 HydrophobicContact CB-CG 4.37Å
350	L	98.9	Very high	98.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.9	-50.1	173.7	177.7	57.9	0	0	0	111.9	N346 S347 K348 R353 L354 V371 L415 F430 A434 I437	N346-L350 WeakPolarHBondContact O-CB 3.36Å; N346-L350 PolarHBondContact O-N 3.26Å; S347-L350 PolarHBondContact O-N 3.09Å; K348-L350 VanDerWaalsContact C-N 3.3Å; K348-L350 PolarHBondContact O-N 2.82Å; L350-R353 PolarHBondContact O-N 3.29Å; L350-L354 HydrophobicContact CD1-CD1 3.85Å; L350-L354 HydrophobicContact CD1-CG 4.23Å; L350-L354 HydrophobicContact CG-CD1 4.05Å; L350-L354 WeakPolarHBondContact O-CG 3.42Å; L350-L354 PolarHBondContact O-N 3.34Å; L350-V371 HydrophobicContact CD2-CG2 4.36Å; L350-V371 HydrophobicContact CG-CG2 4.5Å; L350-L415 HydrophobicContact CD2-CB 4.08Å; L350-L415 HydrophobicContact CD2-CD1 4.32Å; L350-F430 HydrophobicContact CB-CB 4.48Å; L350-F430 HydrophobicContact CB-CD1 3.99Å; L350-F430 HydrophobicContact CD2-CD1 4.14Å; L350-F430 HydrophobicContact CD2-CE1 4.39Å; L350-A434 HydrophobicContact CD1-CB 3.79Å; L350-I437 HydrophobicContact CD1-CD1 4.09Å
351	A	98.8	Very high	98.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.6	-48.2	179.2	0	0	0	0	0	111.8	S347 K348 R353 L354 I355 T366 V371	S347-A351 WeakPolarHBondContact O-CB 3.4Å; S347-A351 PolarHBondContact O-N 3.18Å; K348-A351 PolarHBondContact O-N 3.48Å; A351-R353 VanDerWaalsContact C-N 3.32Å; A351-R353 PolarHBondContact O-N 3.4Å; A351-L354 PolarHBondContact O-N 3.39Å; A351-I355 VanDerWaalsContact O-CG1 3.29Å; A351-I355 WeakPolarHBondContact O-CG1 3.41Å; A351-I355 PolarHBondContact O-N 3.43Å; A351-T366 HydrophobicContact CB-CG2 4.1Å; A351-V371 HydrophobicContact CB-CG1 4.09Å; A351-V371 HydrophobicContact CB-CG2 3.93Å
352	D	98.8	Very high	98.5	Very high	53 Å²	53	34.9 Å²	34.9	28%	0.283	19%	0.185	S	C	.	.	H	α-helix	trans	-59.8	-43.7	-179.7	-68.3	-13.7	0	0	0	110.3	K348 I355 E356	K348-D352 WeakPolarHBondContact CE-OD2 3.46Å; K348-D352 WeakPolarHBondContact CG-OD2 3.39Å; K348-D352 VanDerWaalsContact NZ-CG 3.35Å; K348-D352 IonicContact NZ-OD1 2.79Å; K348-D352 PolarHBondContact NZ-OD1 3.27Å; K348-D352 IonicContact NZ-OD2 3.88Å; K348-D352 PolarHBondContact NZ-OD2 3.36Å; K348-D352 WeakPolarHBondContact O-CB 3.28Å; K348-D352 PolarHBondContact O-N 2.76Å; D352-I355 PolarHBondContact O-N 3.13Å; D352-E356 WeakPolarHBondContact O-CG 3.21Å; D352-E356 PolarHBondContact O-N 3.36Å
353	R	98.8	Very high	98.4	Very high	60 Å²	60	35.4 Å²	35.4	23%	0.226	19%	0.189	C	C	.	.	H	α-helix	trans	-67.9	-40.5	178.5	-175.8	55.7	177.4	160.4	7.1	113.3	A349 L350 A351 I355 E356 L357 R431 A434 D435	A349-R353 WeakPolarHBondContact O-CB 3Å; A349-R353 PolarHBondContact O-N 3.42Å; L350-R353 PolarHBondContact O-N 3.29Å; A351-R353 VanDerWaalsContact C-N 3.32Å; A351-R353 PolarHBondContact O-N 3.4Å; R353-I355 VanDerWaalsContact C-N 3.29Å; R353-I355 PolarHBondContact O-N 2.99Å; R353-E356 WeakPolarHBondContact CD-OE2 3.17Å; R353-E356 IonicContact NH1-OE2 3.24Å; R353-E356 PolarHBondContact NH1-OE2 2.84Å; R353-E356 VanDerWaalsContact NH1-OE2 3.07Å; R353-E356 WeakPolarHBondContact O-CB 3.3Å; R353-E356 PolarHBondContact O-N 2.87Å; R353-L357 HydrophobicContact CG-CD1 4.01Å; R353-L357 WeakPolarHBondContact O-CD1 3.5Å; R353-L357 VanDerWaalsContact O-CG 3.29Å; R353-L357 WeakPolarHBondContact O-CG 3.49Å; R353-L357 PolarHBondContact O-N 2.84Å; R353-R431 HydrophobicContact CB-CB 4.35Å; R353-R431 HydrophobicContact CB-CG 4.06Å; R353-R431 HydrophobicContact CG-CB 4.14Å; R353-R431 HydrophobicContact CG-CG 4.36Å; R353-A434 HydrophobicContact CB-CB 3.74Å; R353-A434 HydrophobicContact CG-CB 3.44Å; R353-A434 VanDerWaalsContact CG-CB 3.44Å; R353-D435 IonicContact CZ-OD1 3.07Å; R353-D435 IonicContact NE-OD1 2.76Å; R353-D435 PolarHBondContact NE-OD1 3.11Å; R353-D435 IonicContact NH2-OD1 3.21Å; R353-D435 PolarHBondContact NH2-OD1 3.23Å; R353-D435 IonicContact NH2-OD2 2.61Å
354	L	98.7	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.9	-36.7	175	-72.2	168.2	0	0	0	111.7	L350 A351 L357 G358 Y359 V361 V371 L373 L415 A434 I437	L350-L354 HydrophobicContact CD1-CD1 3.85Å; L350-L354 HydrophobicContact CD1-CG 4.23Å; L350-L354 HydrophobicContact CG-CD1 4.05Å; L350-L354 WeakPolarHBondContact O-CG 3.42Å; L350-L354 PolarHBondContact O-N 3.34Å; A351-L354 PolarHBondContact O-N 3.39Å; L354-L357 PolarHBondContact O-N 2.98Å; L354-G358 PolarHBondContact O-N 3.33Å; L354-Y359 HydrophobicContact CB-CD2 4.5Å; L354-Y359 HydrophobicContact CD2-CD2 4.01Å; L354-Y359 HydrophobicContact CD2-CE2 4.46Å; L354-Y359 WeakPolarHBondContact O-CB 3.25Å; L354-Y359 WeakPolarHBondContact O-CD2 3.14Å; L354-Y359 PolarHBondContact O-N 3.49Å; L354-V361 HydrophobicContact CB-CG2 4.5Å; L354-V371 HydrophobicContact CD1-CG1 4.36Å; L354-L373 HydrophobicContact CB-CD1 4.21Å; L354-L373 HydrophobicContact CD1-CD1 4.12Å; L354-L373 HydrophobicContact CD2-CD2 4.43Å; L354-L415 HydrophobicContact CD1-CD1 3.79Å; L354-A434 HydrophobicContact CD2-CB 4.19Å; L354-A434 HydrophobicContact CG-CB 4.13Å; L354-I437 HydrophobicContact CD2-CB 4.49Å; L354-I437 HydrophobicContact CD2-CG2 4.13Å
355	I	98.5	Very high	98.2	Very high	69 Å²	69	36.6 Å²	36.6	35%	0.354	21%	0.21	S	C	.	.	H	α-helix	trans	-66.3	-44.6	174.1	-68	165.7	0	0	0	110.9	A351 D352 R353 L357 G358 V361	A351-I355 VanDerWaalsContact O-CG1 3.29Å; A351-I355 WeakPolarHBondContact O-CG1 3.41Å; A351-I355 PolarHBondContact O-N 3.43Å; D352-I355 PolarHBondContact O-N 3.13Å; R353-I355 VanDerWaalsContact C-N 3.29Å; R353-I355 PolarHBondContact O-N 2.99Å; I355-L357 PolarHBondContact O-N 3.47Å; I355-G358 WeakPolarHBondContact O-CA 3.11Å; I355-G358 PolarHBondContact O-N 3.48Å; I355-V361 HydrophobicContact CD1-CB 4.24Å; I355-V361 HydrophobicContact CD1-CG2 4.17Å; I355-V361 HydrophobicContact CG1-CB 4.24Å; I355-V361 HydrophobicContact CG1-CG2 3.8Å
356	E	98.6	Very high	98.2	Very high	103 Å²	103	32.3 Å²	32.3	48%	0.481	19%	0.193	S	C	.	.	H	α-helix	trans	-59	-34.1	175.1	-71.2	167.4	-155	0	0	112.8	D352 R353 G358 R431	D352-E356 WeakPolarHBondContact O-CG 3.21Å; D352-E356 PolarHBondContact O-N 3.36Å; R353-E356 WeakPolarHBondContact CD-OE2 3.17Å; R353-E356 IonicContact NH1-OE2 3.24Å; R353-E356 PolarHBondContact NH1-OE2 2.84Å; R353-E356 VanDerWaalsContact NH1-OE2 3.07Å; R353-E356 WeakPolarHBondContact O-CB 3.3Å; R353-E356 PolarHBondContact O-N 2.87Å; E356-G358 PolarHBondContact O-N 3.16Å; E356-R431 IonicContact OE1-CZ 3.39Å; E356-R431 IonicContact OE1-NH1 2.85Å; E356-R431 PolarHBondContact OE1-NH1 3.43Å; E356-R431 IonicContact OE1-NH2 2.98Å; E356-R431 PolarHBondContact OE1-NH2 3.08Å; E356-R431 IonicContact OE2-CZ 3.57Å; E356-R431 IonicContact OE2-NH1 3.74Å; E356-R431 IonicContact OE2-NH2 2.65Å; E356-R431 PolarHBondContact OE2-NH2 2.82Å
357	L	98.3	Very high	98.2	Very high	46 Å²	46	35.5 Å²	35.5	24%	0.241	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-0.9	175.3	-68.4	163.4	0	0	0	113.1	R353 L354 I355 Y359 A434 D438	R353-L357 HydrophobicContact CG-CD1 4.01Å; R353-L357 WeakPolarHBondContact O-CD1 3.5Å; R353-L357 VanDerWaalsContact O-CG 3.29Å; R353-L357 WeakPolarHBondContact O-CG 3.49Å; R353-L357 PolarHBondContact O-N 2.84Å; L354-L357 PolarHBondContact O-N 2.98Å; I355-L357 PolarHBondContact O-N 3.47Å; L357-Y359 HydrophobicContact CB-CD2 3.98Å; L357-Y359 HydrophobicContact CB-CE2 4.01Å; L357-A434 HydrophobicContact CD1-CB 4.45Å; L357-D438 HydrophobicContact CD1-CB 3.91Å
358	G	97.6	Very high	98.2	Very high	60 Å²	60	35.6 Å²	35.6	62%	0.619	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.6	10.5	174.3	0	0	0	0	0	115	L354 I355 E356	L354-G358 PolarHBondContact O-N 3.33Å; I355-G358 WeakPolarHBondContact O-CA 3.11Å; I355-G358 PolarHBondContact O-N 3.48Å; E356-G358 PolarHBondContact O-N 3.16Å
359	Y	98.1	Very high	98.2	Very high	13 Å²	13	30.5 Å²	30.5	5%	0.051	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-87.1	156.4	176.9	-60.1	-70.1	0	0	0	113.3	L354 L357 L373 V378 D438 I441 Q442	L354-Y359 HydrophobicContact CB-CD2 4.5Å; L354-Y359 HydrophobicContact CD2-CD2 4.01Å; L354-Y359 HydrophobicContact CD2-CE2 4.46Å; L354-Y359 WeakPolarHBondContact O-CB 3.25Å; L354-Y359 WeakPolarHBondContact O-CD2 3.14Å; L354-Y359 PolarHBondContact O-N 3.49Å; L357-Y359 HydrophobicContact CB-CD2 3.98Å; L357-Y359 HydrophobicContact CB-CE2 4.01Å; Y359-L373 VanDerWaalsContact CB-CD1 3.46Å; Y359-L373 HydrophobicContact CG-CD1 4.15Å; Y359-V378 HydrophobicContact CD1-CG1 3.94Å; Y359-V378 HydrophobicContact CD1-CG2 4.37Å; Y359-V378 HydrophobicContact CE1-CG1 3.98Å; Y359-V378 HydrophobicContact CE1-CG2 4.25Å; Y359-D438 HydrophobicContact CE2-CB 4.02Å; Y359-D438 PolarHBondContact OH-OD1 3.16Å; Y359-I441 HydrophobicContact CD1-CD1 4.32Å; Y359-I441 HydrophobicContact CE1-CB 4.44Å; Y359-I441 HydrophobicContact CE1-CD1 3.67Å; Y359-I441 HydrophobicContact CE1-CG2 3.83Å; Y359-I441 HydrophobicContact CE2-CD1 4Å; Y359-I441 VanDerWaalsContact CZ-CD1 3.47Å; Y359-I441 VanDerWaalsContact OH-CB 3.3Å; Y359-I441 WeakPolarHBondContact OH-CB 3.48Å; Y359-I441 VanDerWaalsContact OH-CG2 3.26Å; Y359-I441 WeakPolarHBondContact OH-CG2 3.28Å; Y359-Q442 PolarHBondContact OH-NE2 3.43Å
360	S	97.1	Very high	98.2	Very high	27 Å²	27	30.1 Å²	30.1	19%	0.189	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	118	176.8	-170.7	0	0	0	0	109.9	D374 K377	S360-D374 PolarHBondContact O-N 3.34Å; S360-K377 PolarHBondContact OG-NZ 2.84Å
361	V	97.8	Very high	98.1	Very high	7 Å²	7	30.2 Å²	30.2	4%	0.042	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	127.4	168.9	176.7	0	0	0	0	108.2	L354 I355 T363 G364 V371 L372 L373	L354-V361 HydrophobicContact CB-CG2 4.5Å; I355-V361 HydrophobicContact CD1-CB 4.24Å; I355-V361 HydrophobicContact CD1-CG2 4.17Å; I355-V361 HydrophobicContact CG1-CB 4.24Å; I355-V361 HydrophobicContact CG1-CG2 3.8Å; V361-T363 PolarHBondContact O-N 3.12Å; V361-G364 WeakPolarHBondContact O-CA 3.49Å; V361-G364 PolarHBondContact O-N 2.79Å; V361-V371 HydrophobicContact CG1-CG1 3.85Å; V361-V371 HydrophobicContact CG2-CG1 4.05Å; V361-L372 WeakPolarHBondContact CA-O 3.38Å; V361-L373 HydrophobicContact CG2-CD1 4.24Å
362	V	96.8	Very high	98.1	Very high	18 Å²	18	30.6 Å²	30.6	11%	0.109	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-59.1	136.6	179.7	178.1	0	0	0	0	109.3	G364 L372 D374 C401 P402	V362-G364 PolarHBondContact O-N 3.19Å; V362-L372 HydrophobicContact CB-CB 4.13Å; V362-L372 HydrophobicContact CB-CD2 3.9Å; V362-L372 HydrophobicContact CB-CG 4Å; V362-L372 HydrophobicContact CG1-CD2 4.14Å; V362-L372 HydrophobicContact CG2-CB 4.29Å; V362-L372 HydrophobicContact CG2-CD2 3.71Å; V362-L372 HydrophobicContact CG2-CG 3.66Å; V362-L372 PolarHBondContact N-O 3.02Å; V362-D374 HydrophobicContact CG2-CB 3.97Å; V362-C401 HydrophobicContact CG2-CB 4.33Å; V362-P402 HydrophobicContact CG1-CG 3.9Å
363	T	97.3	Very high	98.1	Very high	29 Å²	29	28.1 Å²	28.1	18%	0.178	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	65.1	6.1	-168.4	78.4	0	0	0	0	115.7	L196 S222 R223 V361 G365	L196-T363 HydrophobicContact CD2-CG2 4Å; S222-T363 PolarHBondContact OG-OG1 3.05Å; R223-T363 HydrophobicContact CG-CG2 3.97Å; R223-T363 PolarHBondContact NE-OG1 3.39Å; R223-T363 PolarHBondContact NH2-O 2.8Å; R223-T363 PolarHBondContact NH2-OG1 3.23Å; V361-T363 PolarHBondContact O-N 3.12Å; T363-G365 VanDerWaalsContact C-N 3.33Å; T363-G365 PolarHBondContact O-N 2.92Å; T363-G365 PolarHBondContact OG1-O 3.05Å
364	G	97.1	Very high	98	Very high	54 Å²	54	26.3 Å²	26.3	56%	0.557	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	76.9	9.4	178.3	0	0	0	0	0	115.5	V361 V362	V361-G364 WeakPolarHBondContact O-CA 3.49Å; V361-G364 PolarHBondContact O-N 2.79Å; V362-G364 PolarHBondContact O-N 3.19Å
365	G	97.8	Very high	97.9	Very high	7 Å²	7	26.3 Å²	26.3	7%	0.072	17%	0.169	C	C	.	.	S	Bend	trans	164.9	-157.1	-179.2	0	0	0	0	0	113.2	S222 T363	S222-G365 PolarHBondContact OG-O 3.28Å; S222-G365 VanDerWaalsContact OG-O 3.06Å; T363-G365 VanDerWaalsContact C-N 3.33Å; T363-G365 PolarHBondContact O-N 2.92Å; T363-G365 PolarHBondContact OG1-O 3.05Å
366	T	98.6	Very high	97.5	Very high	15 Å²	15	26 Å²	26	9%	0.092	17%	0.172	C	C	.	.			trans	-147.4	145.4	178.4	-172.7	0	0	0	0	112.2	S222 A351 N368 I370 V371	S222-T366 PolarHBondContact O-OG1 3.33Å; A351-T366 HydrophobicContact CB-CG2 4.1Å; T366-N368 PolarHBondContact OG1-N 2.94Å; T366-N368 PolarHBondContact OG1-O 3.13Å; T366-N368 VanDerWaalsContact OG1-O 3.1Å; T366-N368 PolarHBondContact OG1-OD1 2.91Å; T366-I370 VanDerWaalsContact CB-O 3.26Å; T366-I370 WeakPolarHBondContact CB-O 3.25Å; T366-I370 PolarHBondContact OG1-O 2.99Å; T366-V371 HydrophobicContact CG2-CG2 3.99Å
367	D	98.4	Very high	97.2	Very high	67 Å²	67	28 Å²	28	36%	0.358	18%	0.18	S	C	.	.	S	Bend	trans	-113.4	3.3	170.9	-54.7	-41.5	0	0	0	111.5	S222 R223 H224	S222-D367 PolarHBondContact O-N 3.24Å; R223-D367 WeakPolarHBondContact CD-OD2 3.4Å; R223-D367 IonicContact CZ-OD2 3.46Å; R223-D367 IonicContact NE-OD2 2.66Å; R223-D367 IonicContact NH1-OD1 2.75Å; R223-D367 PolarHBondContact NH1-OD1 3.05Å; R223-D367 IonicContact NH1-OD2 3.71Å; R223-D367 PolarHBondContact NH1-OD2 3Å; H224-D367 PolarHBondContact CE1-O 2.78Å
368	N	98.3	Very high	96.9	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.021	18%	0.178	C	C	.	.	S	Bend	trans	-138	-160.6	-179.5	67.4	33.9	0	0	0	111.1	H221 L251 S347 T366 I370	H221-N368 PolarHBondContact O-ND2 2.92Å; L251-N368 HydrophobicContact CD1-CB 4.2Å; S347-N368 VanDerWaalsContact CB-O 3.27Å; S347-N368 WeakPolarHBondContact CB-O 3.14Å; S347-N368 PolarHBondContact OG-O 2.72Å; T366-N368 PolarHBondContact OG1-N 2.94Å; T366-N368 PolarHBondContact OG1-O 3.13Å; T366-N368 VanDerWaalsContact OG1-O 3.1Å; T366-N368 PolarHBondContact OG1-OD1 2.91Å; N368-I370 VanDerWaalsContact C-N 3.3Å; N368-I370 PolarHBondContact O-N 2.92Å; N368-I370 WeakPolarHBondContact OD1-CB 3.38Å; N368-I370 PolarHBondContact OD1-N 2.67Å
369	H	98.6	Very high	96.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-84.3	2.3	-177	74	-64.3	0	0	0	114.3	A68 H247 L251 V343 G416 S417 S418	A68-H369 PolarHBondContact O-CD2 3.08Å; A68-H369 PolarHBondContact O-NE2 2.91Å; H247-H369 AromaticContact ND1-CE1 3.7Å; H247-H369 AromaticContact ND1-NE2 3.51Å; H247-H369 PolarHBondContact O-CE1 3.24Å; H247-H369 PolarHBondContact O-NE2 3.32Å; L251-H369 HydrophobicContact CD1-CB 4.42Å; V343-H369 HydrophobicContact CG1-CB 3.42Å; V343-H369 VanDerWaalsContact CG1-CB 3.42Å; H369-G416 WeakPolarHBondContact O-CA 3.11Å; H369-S417 PolarHBondContact O-N 2.98Å; H369-S418 PolarHBondContact CD2-OG 2.85Å; H369-S418 VanDerWaalsContact CD2-OG 3.31Å
370	I	98.6	Very high	96.4	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.1	-175.4	-55.4	179.5	0	0	0	110.3	A68 S222 H247 T366 N368 R414 L415	A68-I370 HydrophobicContact CB-CG1 4.11Å; S222-I370 WeakPolarHBondContact CB-O 3.49Å; H247-I370 HydrophobicContact CB-CD1 4.49Å; T366-I370 VanDerWaalsContact CB-O 3.26Å; T366-I370 WeakPolarHBondContact CB-O 3.25Å; T366-I370 PolarHBondContact OG1-O 2.99Å; N368-I370 VanDerWaalsContact C-N 3.3Å; N368-I370 PolarHBondContact O-N 2.92Å; N368-I370 WeakPolarHBondContact OD1-CB 3.38Å; N368-I370 PolarHBondContact OD1-N 2.67Å; I370-R414 HydrophobicContact CG2-CG 3.83Å; I370-L415 CarbonylContact C-O 3.43Å; I370-L415 WeakPolarHBondContact CA-O 3.41Å
371	V	98.6	Very high	96.2	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	122.9	167.3	-178.6	0	0	0	0	107.8	S347 L350 A351 L354 V361 T366 L415	S347-V371 WeakPolarHBondContact O-CG2 3.07Å; L350-V371 HydrophobicContact CD2-CG2 4.36Å; L350-V371 HydrophobicContact CG-CG2 4.5Å; A351-V371 HydrophobicContact CB-CG1 4.09Å; A351-V371 HydrophobicContact CB-CG2 3.93Å; L354-V371 HydrophobicContact CD1-CG1 4.36Å; V361-V371 HydrophobicContact CG1-CG1 3.85Å; V361-V371 HydrophobicContact CG2-CG1 4.05Å; T366-V371 HydrophobicContact CG2-CG2 3.99Å; V371-L415 HydrophobicContact CB-CB 4.32Å; V371-L415 PolarHBondContact N-O 3.22Å; V371-L415 PolarHBondContact O-N 3.3Å
372	L	98.3	Very high	96.2	Very high	9 Å²	9	31.1 Å²	31.1	5%	0.047	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	105.8	174.5	177	58.9	0	0	0	108.7	V361 V362 N399	V361-L372 WeakPolarHBondContact CA-O 3.38Å; V362-L372 HydrophobicContact CB-CB 4.13Å; V362-L372 HydrophobicContact CB-CD2 3.9Å; V362-L372 HydrophobicContact CB-CG 4Å; V362-L372 HydrophobicContact CG1-CD2 4.14Å; V362-L372 HydrophobicContact CG2-CB 4.29Å; V362-L372 HydrophobicContact CG2-CD2 3.71Å; V362-L372 HydrophobicContact CG2-CG 3.66Å; V362-L372 PolarHBondContact N-O 3.02Å; L372-N399 HydrophobicContact CD1-CB 4Å
373	L	98	Very high	96.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	124.7	178.1	-168.1	66.3	0	0	0	109.2	L354 Y359 V361 L375 G412 L413 I441	L354-L373 HydrophobicContact CB-CD1 4.21Å; L354-L373 HydrophobicContact CD1-CD1 4.12Å; L354-L373 HydrophobicContact CD2-CD2 4.43Å; Y359-L373 VanDerWaalsContact CB-CD1 3.46Å; Y359-L373 HydrophobicContact CG-CD1 4.15Å; V361-L373 HydrophobicContact CG2-CD1 4.24Å; L373-L375 HydrophobicContact CD2-CD2 3.82Å; L373-L375 HydrophobicContact CG-CD2 4.13Å; L373-G412 CarbonylContact O-C 3.6Å; L373-G412 WeakPolarHBondContact O-CA 3.32Å; L373-L413 HydrophobicContact CB-CB 4.36Å; L373-L413 PolarHBondContact N-O 3.27Å; L373-L413 PolarHBondContact O-N 3.46Å; L373-I441 HydrophobicContact CD2-CD1 4Å
374	D	96.5	Very high	96	Very high	22 Å²	22	31.2 Å²	31.2	12%	0.118	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	113	175.2	171.9	14.9	0	0	0	109.9	S360 V362 S376	S360-D374 PolarHBondContact O-N 3.34Å; V362-D374 HydrophobicContact CG2-CB 3.97Å; D374-S376 VanDerWaalsContact CG-OG 3.24Å; D374-S376 WeakPolarHBondContact OD1-CB 3.5Å; D374-S376 PolarHBondContact OD1-N 2.93Å; D374-S376 PolarHBondContact OD1-OG 3.45Å; D374-S376 PolarHBondContact OD2-OG 2.93Å; D374-S376 VanDerWaalsContact OD2-OG 3.13Å
375	L	96.6	Very high	96.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.			trans	-93.4	0.1	-178.2	-55.4	164.6	0	0	0	113	L373 K377 V378 T380 V385 S411 L413 I441	L373-L375 HydrophobicContact CD2-CD2 3.82Å; L373-L375 HydrophobicContact CG-CD2 4.13Å; L375-K377 PolarHBondContact O-N 2.85Å; L375-K377 VanDerWaalsContact O-N 3.17Å; L375-V378 HydrophobicContact CB-CG2 3.94Å; L375-V378 HydrophobicContact CD2-CG2 3.95Å; L375-V378 WeakPolarHBondContact O-CG2 3.38Å; L375-V378 PolarHBondContact O-N 3.29Å; L375-T380 HydrophobicContact CB-CG2 3.96Å; L375-T380 HydrophobicContact CD1-CG2 4.26Å; L375-V385 HydrophobicContact CD1-CB 3.97Å; L375-V385 HydrophobicContact CD1-CG1 4.48Å; L375-V385 HydrophobicContact CD1-CG2 3.68Å; L375-S411 WeakPolarHBondContact CA-O 3.12Å; L375-S411 WeakPolarHBondContact CB-O 3.43Å; L375-S411 PolarHBondContact N-O 2.9Å; L375-L413 HydrophobicContact CD1-CD1 4.11Å; L375-L413 HydrophobicContact CD1-CG 3.92Å; L375-I441 HydrophobicContact CD2-CD1 3.92Å; L375-I441 HydrophobicContact CD2-CG1 4.42Å
376	S	91.4	Very high	96.1	Very high	62 Å²	62	29.6 Å²	29.6	43%	0.434	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-58.6	-32	-178.8	66.7	0	0	0	0	112.7	D374 V378	D374-S376 VanDerWaalsContact CG-OG 3.24Å; D374-S376 WeakPolarHBondContact OD1-CB 3.5Å; D374-S376 PolarHBondContact OD1-N 2.93Å; D374-S376 PolarHBondContact OD1-OG 3.45Å; D374-S376 PolarHBondContact OD2-OG 2.93Å; D374-S376 VanDerWaalsContact OD2-OG 3.13Å; S376-V378 VanDerWaalsContact C-N 3.34Å
377	K	91.8	Very high	96	Very high	147 Å²	147	30 Å²	30	64%	0.639	16%	0.157	S	C	*	.	G	3₁₀ helix	trans	-79.5	-12.6	179.8	-61.7	-177.6	-170.3	162.8	0	114.3	S360 L375	S360-K377 PolarHBondContact OG-NZ 2.84Å; L375-K377 PolarHBondContact O-N 2.85Å; L375-K377 VanDerWaalsContact O-N 3.17Å
378	V	92.8	Very high	96	Very high	34 Å²	34	26.8 Å²	26.8	21%	0.206	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-107.9	15.6	179.1	-65.5	0	0	0	0	112.7	Y359 L375 S376 T380 L445	Y359-V378 HydrophobicContact CD1-CG1 3.94Å; Y359-V378 HydrophobicContact CD1-CG2 4.37Å; Y359-V378 HydrophobicContact CE1-CG1 3.98Å; Y359-V378 HydrophobicContact CE1-CG2 4.25Å; L375-V378 HydrophobicContact CB-CG2 3.94Å; L375-V378 HydrophobicContact CD2-CG2 3.95Å; L375-V378 WeakPolarHBondContact O-CG2 3.38Å; L375-V378 PolarHBondContact O-N 3.29Å; S376-V378 VanDerWaalsContact C-N 3.34Å; V378-T380 VanDerWaalsContact C-N 3.32Å; V378-T380 HydrophobicContact CG2-CG2 4.15Å; V378-T380 PolarHBondContact O-N 3Å; V378-L445 WeakPolarHBondContact O-CD2 3.45Å
379	N	89.9	Confident	96	Very high	139 Å²	139	26.6 Å²	26.6	74%	0.743	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	38.1	176.5	-59.2	-56.4	0	0	0	114	Q448	N379-Q448 PolarHBondContact O-NE2 3.25Å
380	T	94	Very high	96	Very high	14 Å²	14	32.5 Å²	32.5	9%	0.086	17%	0.166	C	C	.	.			trans	-140.7	-177.5	168.4	-160.3	0	0	0	0	110.4	L375 V378 V385 L445 Q448	L375-T380 HydrophobicContact CB-CG2 3.96Å; L375-T380 HydrophobicContact CD1-CG2 4.26Å; V378-T380 VanDerWaalsContact C-N 3.32Å; V378-T380 HydrophobicContact CG2-CG2 4.15Å; V378-T380 PolarHBondContact O-N 3Å; T380-V385 HydrophobicContact CG2-CG2 3.51Å; T380-L445 HydrophobicContact CG2-CD2 4.04Å; T380-Q448 PolarHBondContact OG1-OE1 3.06Å
381	D	94.1	Very high	96	Very high	31 Å²	31	35.2 Å²	35.2	17%	0.166	18%	0.181	C	C	.	.			trans	-131.1	161	-179.6	65.7	79.4	0	0	0	111.4	A383 R384 V385	D381-A383 PolarHBondContact O-N 3.33Å; D381-A383 WeakPolarHBondContact OD1-CA 3.36Å; D381-A383 VanDerWaalsContact OD1-CB 3.3Å; D381-A383 WeakPolarHBondContact OD1-CB 3.48Å; D381-A383 PolarHBondContact OD1-N 3.36Å; D381-R384 PolarHBondContact O-N 3Å; D381-R384 PolarHBondContact OD1-N 3.11Å; D381-R384 WeakPolarHBondContact OD2-CD 3.44Å; D381-R384 IonicContact OD2-CZ 2.69Å; D381-R384 IonicContact OD2-NE 2.69Å; D381-R384 IonicContact OD2-NH1 2.73Å; D381-R384 PolarHBondContact OD2-NH1 2.98Å; D381-V385 PolarHBondContact O-N 2.85Å
382	G	96	Very high	96	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62	-28.9	-177.5	0	0	0	0	0	113.2	E386 P410 G412	G382-E386 WeakPolarHBondContact O-CB 3.29Å; G382-E386 PolarHBondContact O-N 3.09Å; G382-P410 PolarHBondContact N-O 2.9Å; G382-G412 WeakPolarHBondContact CA-O 3.44Å
383	A	95.3	Very high	96	Very high	10 Å²	10	35.6 Å²	35.6	8%	0.083	18%	0.184	C	C	.	.	H	α-helix	trans	-74.9	-35.3	-176.8	0	0	0	0	0	113.1	D381 H387 K398 L455	D381-A383 PolarHBondContact O-N 3.33Å; D381-A383 WeakPolarHBondContact OD1-CA 3.36Å; D381-A383 VanDerWaalsContact OD1-CB 3.3Å; D381-A383 WeakPolarHBondContact OD1-CB 3.48Å; D381-A383 PolarHBondContact OD1-N 3.36Å; A383-H387 PolarHBondContact O-N 3.3Å; A383-K398 HydrophobicContact CB-CD 3.71Å; A383-L455 HydrophobicContact CB-CD1 4.29Å; A383-L455 HydrophobicContact CB-CD2 3.94Å
384	R	96.1	Very high	96.1	Very high	38 Å²	38	35.6 Å²	35.6	14%	0.143	18%	0.184	C	C	.	.	H	α-helix	trans	-70.1	-47.6	173.3	-70.9	-177.7	165.7	83	-3.2	111.4	D381 H387 V388 T444 K453 L455 F458	D381-R384 PolarHBondContact O-N 3Å; D381-R384 PolarHBondContact OD1-N 3.11Å; D381-R384 WeakPolarHBondContact OD2-CD 3.44Å; D381-R384 IonicContact OD2-CZ 2.69Å; D381-R384 IonicContact OD2-NE 2.69Å; D381-R384 IonicContact OD2-NH1 2.73Å; D381-R384 PolarHBondContact OD2-NH1 2.98Å; R384-H387 WeakPolarHBondContact O-CB 3.46Å; R384-H387 PolarHBondContact O-N 3.29Å; R384-V388 PolarHBondContact O-N 2.81Å; R384-T444 HydrophobicContact CB-CG2 3.7Å; R384-K453 PolarHBondContact NH2-O 3.09Å; R384-L455 HydrophobicContact CG-CD1 3.93Å; R384-F458 HydrophobicContact CB-CD1 4.08Å; R384-F458 HydrophobicContact CB-CE1 3.79Å; R384-F458 HydrophobicContact CB-CZ 4.2Å; R384-F458 HydrophobicContact CG-CD1 3.74Å; R384-F458 HydrophobicContact CG-CE1 3.99Å; R384-F458 HydrophobicContact CG-CG 4.06Å
385	V	97.8	Very high	96.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.2	-44	-179.3	-177.3	0	0	0	0	111.4	L375 T380 D381 H387 V388 L389 L413 I441 T444	L375-V385 HydrophobicContact CD1-CB 3.97Å; L375-V385 HydrophobicContact CD1-CG1 4.48Å; L375-V385 HydrophobicContact CD1-CG2 3.68Å; T380-V385 HydrophobicContact CG2-CG2 3.51Å; D381-V385 PolarHBondContact O-N 2.85Å; V385-H387 PolarHBondContact O-N 3.19Å; V385-V388 PolarHBondContact O-N 3.45Å; V385-V388 VanDerWaalsContact O-N 3.1Å; V385-L389 HydrophobicContact CG1-CD1 3.83Å; V385-L389 HydrophobicContact CG1-CG 4.02Å; V385-L389 WeakPolarHBondContact O-CG 3.43Å; V385-L389 PolarHBondContact O-N 3.13Å; V385-L413 HydrophobicContact CB-CD1 4.1Å; V385-L413 HydrophobicContact CG1-CD1 3.58Å; V385-I441 HydrophobicContact CG1-CG1 3.54Å; V385-I441 HydrophobicContact CG2-CG1 4.26Å; V385-T444 HydrophobicContact CG2-CG2 3.83Å
386	E	98	Very high	96.2	Very high	28 Å²	28	36 Å²	36	13%	0.131	19%	0.189	C	C	.	.	H	α-helix	trans	-52.9	-43.7	174.8	178.6	-160.6	97.6	0	0	111.3	G382 V388 L389 E390 K398 L413	G382-E386 WeakPolarHBondContact O-CB 3.29Å; G382-E386 PolarHBondContact O-N 3.09Å; E386-V388 PolarHBondContact O-N 3.3Å; E386-L389 PolarHBondContact O-N 3.25Å; E386-E390 WeakPolarHBondContact O-CB 3.49Å; E386-E390 PolarHBondContact O-N 3.17Å; E386-K398 IonicContact OE1-NZ 3.75Å; E386-K398 PolarHBondContact OE1-NZ 3.2Å; E386-K398 WeakPolarHBondContact OE2-CB 3.42Å; E386-K398 WeakPolarHBondContact OE2-CD 3.48Å; E386-K398 WeakPolarHBondContact OE2-CG 3.3Å; E386-K398 PolarHBondContact OE2-N 3.44Å; E386-K398 IonicContact OE2-NZ 3.97Å; E386-K398 PolarHBondContact OE2-NZ 2.87Å; E386-L413 HydrophobicContact CB-CD2 4.06Å
387	H	97.3	Very high	96.5	Very high	22 Å²	22	34.4 Å²	34.4	10%	0.102	18%	0.176	C	C	.	.	H	α-helix	trans	-62.8	-43.5	179.1	179.2	54.8	0	0	0	112.4	A383 R384 V385 E390 L391	A383-H387 PolarHBondContact O-N 3.3Å; R384-H387 WeakPolarHBondContact O-CB 3.46Å; R384-H387 PolarHBondContact O-N 3.29Å; V385-H387 PolarHBondContact O-N 3.19Å; H387-E390 PolarHBondContact O-N 3.36Å; H387-L391 WeakPolarHBondContact O-CG 3.5Å; H387-L391 PolarHBondContact O-N 3.09Å
388	V	98.4	Very high	96.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66.3	-42.6	177.4	173.4	0	0	0	0	111.1	R384 V385 E386 E390 L391 V392 G440 L443 T444 F458 F468 I472	R384-V388 PolarHBondContact O-N 2.81Å; V385-V388 PolarHBondContact O-N 3.45Å; V385-V388 VanDerWaalsContact O-N 3.1Å; E386-V388 PolarHBondContact O-N 3.3Å; V388-E390 VanDerWaalsContact C-N 3.34Å; V388-E390 PolarHBondContact O-N 2.81Å; V388-L391 WeakPolarHBondContact O-CB 3.48Å; V388-L391 PolarHBondContact O-N 3.13Å; V388-V392 PolarHBondContact O-N 3.35Å; V388-G440 WeakPolarHBondContact CG1-O 3.39Å; V388-L443 HydrophobicContact CG1-CB 4.29Å; V388-T444 WeakPolarHBondContact CB-OG1 3.41Å; V388-T444 VanDerWaalsContact CG2-OG1 3.24Å; V388-T444 WeakPolarHBondContact CG2-OG1 3.45Å; V388-F458 HydrophobicContact CG2-CE1 4.13Å; V388-F458 HydrophobicContact CG2-CZ 3.86Å; V388-F468 HydrophobicContact CG2-CE2 4.28Å; V388-F468 HydrophobicContact CG2-CZ 4.16Å; V388-I472 HydrophobicContact CG1-CD1 3.83Å
389	L	98.7	Very high	96.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62	-40.4	177	-68.2	179.7	0	0	0	112	V385 E386 L391 V392 S393 I394 C396 L413	V385-L389 HydrophobicContact CG1-CD1 3.83Å; V385-L389 HydrophobicContact CG1-CG 4.02Å; V385-L389 WeakPolarHBondContact O-CG 3.43Å; V385-L389 PolarHBondContact O-N 3.13Å; E386-L389 PolarHBondContact O-N 3.25Å; L389-L391 VanDerWaalsContact C-N 3.35Å; L389-L391 PolarHBondContact O-N 2.68Å; L389-V392 CarbonylContact O-C 3.42Å; L389-V392 VanDerWaalsContact O-CG2 3.27Å; L389-V392 WeakPolarHBondContact O-CG2 3.47Å; L389-V392 PolarHBondContact O-N 3.17Å; L389-V392 VanDerWaalsContact O-N 3.16Å; L389-S393 PolarHBondContact O-N 3.08Å; L389-I394 CarbonylContact C-O 3.46Å; L389-I394 HydrophobicContact CB-CB 4.12Å; L389-I394 HydrophobicContact CB-CG2 4.4Å; L389-I394 HydrophobicContact CD2-CB 4.42Å; L389-I394 HydrophobicContact CD2-CD1 4.1Å; L389-I394 PolarHBondContact O-N 3.45Å; L389-I394 VanDerWaalsContact O-O 3.12Å; L389-C396 VanDerWaalsContact CD1-SG 3.58Å; L389-L413 HydrophobicContact CD1-CD1 3.78Å
390	E	98.3	Very high	97.1	Very high	124 Å²	124	24.8 Å²	24.8	58%	0.579	13%	0.128	S	C	*	.	H	α-helix	trans	-59	-44.9	174.1	-177.6	179.6	-165.1	0	0	111.5	E386 H387 V388 V392 S393 I394	E386-E390 WeakPolarHBondContact O-CB 3.49Å; E386-E390 PolarHBondContact O-N 3.17Å; H387-E390 PolarHBondContact O-N 3.36Å; V388-E390 VanDerWaalsContact C-N 3.34Å; V388-E390 PolarHBondContact O-N 2.81Å; E390-V392 PolarHBondContact O-N 3.26Å; E390-S393 PolarHBondContact O-N 2.84Å; E390-S393 VanDerWaalsContact O-N 3.09Å; E390-I394 PolarHBondContact N-O 3.5Å
391	L	98.2	Very high	97.1	Very high	59 Å²	59	24.2 Å²	24.2	31%	0.309	12%	0.124	S	C	.	.	H	α-helix	trans	-61.4	-27.9	178.5	-68.8	174.8	0	0	0	113	H387 V388 L389 F468 I472 R476	H387-L391 WeakPolarHBondContact O-CG 3.5Å; H387-L391 PolarHBondContact O-N 3.09Å; V388-L391 WeakPolarHBondContact O-CB 3.48Å; V388-L391 PolarHBondContact O-N 3.13Å; L389-L391 VanDerWaalsContact C-N 3.35Å; L389-L391 PolarHBondContact O-N 2.68Å; L391-F468 HydrophobicContact CD1-CE1 3.8Å; L391-F468 HydrophobicContact CD1-CZ 3.93Å; L391-I472 HydrophobicContact CB-CD1 4.47Å; L391-I472 HydrophobicContact CB-CG2 3.8Å; L391-R476 WeakPolarHBondContact O-CD 3.04Å
392	V	98.6	Very high	96.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	15.2	178.6	-56.8	0	0	0	0	113.9	V388 L389 E390 I394 I472 L475 R476 V479	V388-V392 PolarHBondContact O-N 3.35Å; L389-V392 CarbonylContact O-C 3.42Å; L389-V392 VanDerWaalsContact O-CG2 3.27Å; L389-V392 WeakPolarHBondContact O-CG2 3.47Å; L389-V392 PolarHBondContact O-N 3.17Å; L389-V392 VanDerWaalsContact O-N 3.16Å; E390-V392 PolarHBondContact O-N 3.26Å; V392-I394 HydrophobicContact CG2-CD1 4.13Å; V392-I394 HydrophobicContact CG2-CG1 4.18Å; V392-I472 HydrophobicContact CG1-CB 4.46Å; V392-I472 HydrophobicContact CG1-CD1 3.67Å; V392-I472 HydrophobicContact CG1-CG2 4.02Å; V392-L475 HydrophobicContact CB-CD2 4.3Å; V392-L475 HydrophobicContact CB-CG 3.96Å; V392-L475 HydrophobicContact CG1-CB 4.01Å; V392-L475 HydrophobicContact CG1-CD2 3.89Å; V392-L475 HydrophobicContact CG1-CG 3.79Å; V392-L475 HydrophobicContact CG2-CD2 4.22Å; V392-L475 HydrophobicContact CG2-CG 4.26Å; V392-R476 HydrophobicContact CB-CB 4.35Å; V392-V479 VanDerWaalsContact O-CB 3.29Å; V392-V479 WeakPolarHBondContact O-CB 3.46Å; V392-V479 VanDerWaalsContact O-CG1 3.26Å; V392-V479 WeakPolarHBondContact O-CG1 3.44Å
393	S	98.6	Very high	96.4	Very high	17 Å²	17	27 Å²	27	12%	0.119	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	33.8	179.4	-47.9	0	0	0	0	114.3	S63 V64 L389 E390 Q480	S63-S393 CarbonylContact C-O 3.59Å; S63-S393 VanDerWaalsContact CA-O 3.23Å; S63-S393 WeakPolarHBondContact CA-O 3.21Å; S63-S393 WeakPolarHBondContact CB-O 3.46Å; V64-S393 PolarHBondContact N-O 3.01Å; L389-S393 PolarHBondContact O-N 3.08Å; E390-S393 PolarHBondContact O-N 2.84Å; E390-S393 VanDerWaalsContact O-N 3.09Å; S393-Q480 PolarHBondContact OG-NE2 3.1Å
394	I	98.8	Very high	96.1	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	107.5	168.2	-58.2	177.4	0	0	0	108.3	V64 L66 L389 E390 V392 F436 V479	V64-I394 HydrophobicContact CB-CG1 4.26Å; V64-I394 WeakPolarHBondContact O-CA 3.43Å; L66-I394 HydrophobicContact CD1-CG2 3.82Å; L66-I394 HydrophobicContact CG-CG2 4.45Å; L389-I394 CarbonylContact C-O 3.46Å; L389-I394 HydrophobicContact CB-CB 4.12Å; L389-I394 HydrophobicContact CB-CG2 4.4Å; L389-I394 HydrophobicContact CD2-CB 4.42Å; L389-I394 HydrophobicContact CD2-CD1 4.1Å; L389-I394 PolarHBondContact O-N 3.45Å; L389-I394 VanDerWaalsContact O-O 3.12Å; E390-I394 PolarHBondContact N-O 3.5Å; V392-I394 HydrophobicContact CG2-CD1 4.13Å; V392-I394 HydrophobicContact CG2-CG1 4.18Å; I394-F436 HydrophobicContact CD1-CB 3.8Å; I394-V479 HydrophobicContact CD1-CG1 4.47Å; I394-V479 HydrophobicContact CD1-CG2 4.09Å; I394-V479 HydrophobicContact CG1-CG1 3.82Å; I394-V479 HydrophobicContact CG1-CG2 4.26Å
395	A	98.7	Very high	95.3	Very high	18 Å²	18	37.1 Å²	37.1	15%	0.149	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	121	178.2	0	0	0	0	0	110	V64 E65 L66 I67	V64-A395 PolarHBondContact O-N 2.81Å; E65-A395 WeakPolarHBondContact OE2-CB 3.35Å; L66-A395 CarbonylContact C-O 3.57Å; L66-A395 VanDerWaalsContact CA-O 3.29Å; L66-A395 WeakPolarHBondContact CA-O 3.43Å; L66-A395 WeakPolarHBondContact CB-O 3.38Å; L66-A395 PolarHBondContact N-O 3.43Å; I67-A395 HydrophobicContact CD1-CB 4.26Å; I67-A395 HydrophobicContact CG1-CB 4.37Å; I67-A395 PolarHBondContact N-O 3.21Å
396	C	98.3	Very high	94.4	Very high	12 Å²	12	39 Å²	39	8%	0.081	21%	0.214	C	C	.	.			trans	-144.6	-175.2	173.1	63.8	0	0	0	0	108.9	L66 L389 L415	L66-C396 HydrophobicContact CB-CB 4.37Å; L389-C396 VanDerWaalsContact CD1-SG 3.58Å; C396-L415 HydrophobicContact CB-CD2 3.68Å
397	N	97.2	Very high	93.4	Very high	29 Å²	29	40.8 Å²	40.8	16%	0.155	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	137.7	173.1	75	-98.7	0	0	0	111.8	R414	N397-R414 PolarHBondContact O-N 3.46Å; N397-R414 PolarHBondContact OD1-NE 3.07Å; N397-R414 PolarHBondContact OD1-NH2 3.1Å
398	K	96.5	Very high	92.7	Very high	79 Å²	79	46.9 Å²	46.9	34%	0.343	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	144.5	164	70	-166.4	156	-71.4	0	110.7	A383 E386 P410 G412	A383-K398 HydrophobicContact CB-CD 3.71Å; E386-K398 IonicContact OE1-NZ 3.75Å; E386-K398 PolarHBondContact OE1-NZ 3.2Å; E386-K398 WeakPolarHBondContact OE2-CB 3.42Å; E386-K398 WeakPolarHBondContact OE2-CD 3.48Å; E386-K398 WeakPolarHBondContact OE2-CG 3.3Å; E386-K398 PolarHBondContact OE2-N 3.44Å; E386-K398 IonicContact OE2-NZ 3.97Å; E386-K398 PolarHBondContact OE2-NZ 2.87Å; K398-P410 HydrophobicContact CB-CG 3.8Å; K398-P410 HydrophobicContact CD-CG 3.83Å; K398-P410 HydrophobicContact CG-CG 3.67Å; K398-G412 CarbonylContact C-O 3.57Å; K398-G412 WeakPolarHBondContact CA-O 3.37Å
399	N	96.5	Very high	92.1	Very high	27 Å²	27	51.5 Å²	51.5	14%	0.144	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	143.4	-177.7	-157.4	94.3	0	0	0	110.2	C220 L372 P410 G412 R414	C220-N399 PolarHBondContact SG-ND2 3.34Å; C220-N399 VanDerWaalsContact SG-ND2 3.37Å; L372-N399 HydrophobicContact CD1-CB 4Å; N399-P410 VanDerWaalsContact O-CB 3.3Å; N399-P410 WeakPolarHBondContact O-CB 3.29Å; N399-G412 PolarHBondContact N-O 2.83Å; N399-G412 CarbonylContact O-C 3.54Å; N399-G412 VanDerWaalsContact O-CA 3.26Å; N399-G412 WeakPolarHBondContact O-CA 3.25Å; N399-G412 PolarHBondContact O-N 3.44Å; N399-R414 HydrophobicContact CB-CB 3.83Å
400	A	94.5	Very high	91.8	Very high	11 Å²	11	51.8 Å²	51.8	9%	0.091	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-62.6	143.1	172.5	0	0	0	0	0	110.1	P160 D404	P160-A400 HydrophobicContact CB-CB 4.11Å; A400-D404 VanDerWaalsContact CA-OD2 3.22Å; A400-D404 WeakPolarHBondContact CA-OD2 3.42Å; A400-D404 HydrophobicContact CB-CB 4.36Å
401	C	93.2	Very high	91.7	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.014	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-102.8	158.2	166.8	-67	0	0	0	0	110.3	V362 G403 D404 S411 G412	V362-C401 HydrophobicContact CG2-CB 4.33Å; C401-G403 PolarHBondContact O-N 3.47Å; C401-D404 PolarHBondContact N-OD2 2.93Å; C401-D404 WeakPolarHBondContact O-CB 3.35Å; C401-D404 PolarHBondContact O-N 3.28Å; C401-S411 WeakPolarHBondContact CB-OG 3.31Å; C401-G412 VanDerWaalsContact SG-CA 3.53Å
402	P	90.8	Very high	91.6	Very high	29 Å²	29	43.7 Å²	43.7	19%	0.188	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	127.4	169.9	-24.6	34.8	0	0	0	110.7	V190 V362	V190-P402 HydrophobicContact CG2-CB 3.87Å; V190-P402 HydrophobicContact CG2-CG 3.84Å; V362-P402 HydrophobicContact CG1-CG 3.9Å
403	G	85.7	Confident	91.5	Very high	61 Å²	61	43.7 Å²	43.7	63%	0.629	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.5	-10	-176.9	0	0	0	0	0	115.6	C401 K405	C401-G403 PolarHBondContact O-N 3.47Å; G403-K405 PolarHBondContact O-N 3.31Å
404	D	89	Confident	91.5	Very high	41 Å²	41	44 Å²	44	22%	0.219	25%	0.25	C	S	.	.			trans	-61.6	127.9	173.4	-80.6	-10.2	0	0	0	111.3	A400 C401 S406 P410 S411	A400-D404 VanDerWaalsContact CA-OD2 3.22Å; A400-D404 WeakPolarHBondContact CA-OD2 3.42Å; A400-D404 HydrophobicContact CB-CB 4.36Å; C401-D404 PolarHBondContact N-OD2 2.93Å; C401-D404 WeakPolarHBondContact O-CB 3.35Å; C401-D404 PolarHBondContact O-N 3.28Å; D404-S406 VanDerWaalsContact C-N 3.27Å; D404-S406 PolarHBondContact O-N 2.87Å; D404-P410 WeakPolarHBondContact OD2-CA 3.35Å; D404-S411 VanDerWaalsContact OD1-CB 3.22Å; D404-S411 WeakPolarHBondContact OD1-CB 3.31Å; D404-S411 PolarHBondContact OD1-OG 3.14Å; D404-S411 PolarHBondContact OD2-N 3.17Å; D404-S411 PolarHBondContact OD2-OG 2.96Å; D404-S411 VanDerWaalsContact OD2-OG 3.05Å
405	K	78.5	Confident	91.5	Very high	219 Å²	219	44 Å²	44	95%	0.952	25%	0.25	S	C	*	.	S	Bend	trans	-74.3	-16.9	178.3	-64.5	-177.2	-179.6	177.8	0	113.4	G403	G403-K405 PolarHBondContact O-N 3.31Å
406	S	78.7	Confident	91.5	Very high	41 Å²	41	43.2 Å²	43.2	29%	0.287	24%	0.244	S	C	.	.			trans	-152.2	132	-173.7	176.3	0	0	0	0	111.5	D404 L408 T409	D404-S406 VanDerWaalsContact C-N 3.27Å; D404-S406 PolarHBondContact O-N 2.87Å; S406-L408 PolarHBondContact O-N 3.01Å; S406-L408 WeakPolarHBondContact OG-CB 3.33Å; S406-L408 PolarHBondContact OG-N 3.42Å; S406-L408 VanDerWaalsContact OG-N 3.12Å; S406-T409 PolarHBondContact O-N 2.94Å
407	V	77.6	Confident	91.6	Very high	64 Å²	64	42.7 Å²	42.7	39%	0.388	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.1	171.1	-63.7	0	0	0	0	113.5	P160	P160-V407 HydrophobicContact CB-CG1 3.95Å; P160-V407 HydrophobicContact CG-CG1 3.58Å
408	L	82.1	Confident	91.6	Very high	151 Å²	151	41.4 Å²	41.4	79%	0.791	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-16.8	-179.7	-59.9	177.2	0	0	0	112.8	S406	S406-L408 PolarHBondContact O-N 3.01Å; S406-L408 WeakPolarHBondContact OG-CB 3.33Å; S406-L408 PolarHBondContact OG-N 3.42Å; S406-L408 VanDerWaalsContact OG-N 3.12Å
409	T	85.6	Confident	91.7	Very high	97 Å²	97	37.7 Å²	37.7	60%	0.595	22%	0.218	S	C	*	.	S	Bend	trans	-130.7	63.7	179.7	55.7	0	0	0	0	109.8	S406	S406-T409 PolarHBondContact O-N 2.94Å
410	P	93.3	Very high	91.8	Very high	6 Å²	6	36.4 Å²	36.4	4%	0.039	21%	0.211	C	C	.	.			trans	-66.4	135.2	-176.2	26	-33.2	0	0	0	111.7	G382 K398 N399 D404	G382-P410 PolarHBondContact N-O 2.9Å; K398-P410 HydrophobicContact CB-CG 3.8Å; K398-P410 HydrophobicContact CD-CG 3.83Å; K398-P410 HydrophobicContact CG-CG 3.67Å; N399-P410 VanDerWaalsContact O-CB 3.3Å; N399-P410 WeakPolarHBondContact O-CB 3.29Å; D404-P410 WeakPolarHBondContact OD2-CA 3.35Å
411	S	94.5	Very high	92.1	Very high	13 Å²	13	36.3 Å²	36.3	9%	0.091	21%	0.209	C	C	.	.			trans	-83.4	-11.7	178.9	57.8	0	0	0	0	113.9	L375 C401 D404	L375-S411 WeakPolarHBondContact CA-O 3.12Å; L375-S411 WeakPolarHBondContact CB-O 3.43Å; L375-S411 PolarHBondContact N-O 2.9Å; C401-S411 WeakPolarHBondContact CB-OG 3.31Å; D404-S411 VanDerWaalsContact OD1-CB 3.22Å; D404-S411 WeakPolarHBondContact OD1-CB 3.31Å; D404-S411 PolarHBondContact OD1-OG 3.14Å; D404-S411 PolarHBondContact OD2-N 3.17Å; D404-S411 PolarHBondContact OD2-OG 2.96Å; D404-S411 VanDerWaalsContact OD2-OG 3.05Å
412	G	96.5	Very high	92.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	171.2	-171.8	0	0	0	0	0	116.6	L373 G382 K398 N399 C401	L373-G412 CarbonylContact O-C 3.6Å; L373-G412 WeakPolarHBondContact O-CA 3.32Å; G382-G412 WeakPolarHBondContact CA-O 3.44Å; K398-G412 CarbonylContact C-O 3.57Å; K398-G412 WeakPolarHBondContact CA-O 3.37Å; N399-G412 PolarHBondContact N-O 2.83Å; N399-G412 CarbonylContact O-C 3.54Å; N399-G412 VanDerWaalsContact O-CA 3.26Å; N399-G412 WeakPolarHBondContact O-CA 3.25Å; N399-G412 PolarHBondContact O-N 3.44Å; C401-G412 VanDerWaalsContact SG-CA 3.53Å
413	L	97.8	Very high	92.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.6	167	-67.8	176.1	0	0	0	109.7	L373 L375 V385 E386 L389 L415	L373-L413 HydrophobicContact CB-CB 4.36Å; L373-L413 PolarHBondContact N-O 3.27Å; L373-L413 PolarHBondContact O-N 3.46Å; L375-L413 HydrophobicContact CD1-CD1 4.11Å; L375-L413 HydrophobicContact CD1-CG 3.92Å; V385-L413 HydrophobicContact CB-CD1 4.1Å; V385-L413 HydrophobicContact CG1-CD1 3.58Å; E386-L413 HydrophobicContact CB-CD2 4.06Å; L389-L413 HydrophobicContact CD1-CD1 3.78Å; L413-L415 HydrophobicContact CB-CD2 4.46Å
414	R	98.5	Very high	93.3	Very high	24 Å²	24	35.8 Å²	35.8	9%	0.091	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	121.4	169.9	-175.4	-176.8	69.4	169.4	-1.7	109	A68 S219 C220 I370 N397 N399	A68-R414 HydrophobicContact CB-CG 4.19Å; S219-R414 PolarHBondContact O-NH1 3.22Å; C220-R414 HydrophobicContact CB-CG 4.5Å; C220-R414 WeakPolarHBondContact SG-CD 3.39Å; C220-R414 VanDerWaalsContact SG-CG 3.6Å; I370-R414 HydrophobicContact CG2-CG 3.83Å; N397-R414 PolarHBondContact O-N 3.46Å; N397-R414 PolarHBondContact OD1-NE 3.07Å; N397-R414 PolarHBondContact OD1-NH2 3.1Å; N399-R414 HydrophobicContact CB-CB 3.83Å
415	L	98.8	Very high	93.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	147.7	-179.5	-52.9	171.6	0	0	0	109.1	L66 L350 L354 I370 V371 C396 L413 I437	L66-L415 HydrophobicContact CB-CD2 4.13Å; L66-L415 HydrophobicContact CD1-CD2 4.03Å; L66-L415 CarbonylContact O-C 3.55Å; L66-L415 WeakPolarHBondContact O-CA 3.38Å; L350-L415 HydrophobicContact CD2-CB 4.08Å; L350-L415 HydrophobicContact CD2-CD1 4.32Å; L354-L415 HydrophobicContact CD1-CD1 3.79Å; I370-L415 CarbonylContact C-O 3.43Å; I370-L415 WeakPolarHBondContact CA-O 3.41Å; V371-L415 HydrophobicContact CB-CB 4.32Å; V371-L415 PolarHBondContact N-O 3.22Å; V371-L415 PolarHBondContact O-N 3.3Å; C396-L415 HydrophobicContact CB-CD2 3.68Å; L413-L415 HydrophobicContact CB-CD2 4.46Å; L415-I437 HydrophobicContact CD1-CD1 4.04Å
416	G	98.7	Very high	94.7	Very high	2 Å²	2	28 Å²	28	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	152.5	173.8	0	0	0	0	0	114.2	L66 H369	L66-G416 PolarHBondContact O-N 3.1Å; H369-G416 WeakPolarHBondContact O-CA 3.11Å
417	S	98.8	Very high	95.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-95.1	-14.8	-170.2	55.5	0	0	0	0	115	V343 H369 A419 T421 F430	V343-S417 WeakPolarHBondContact CG1-OG 3.45Å; V343-S417 PolarHBondContact O-OG 2.81Å; H369-S417 PolarHBondContact O-N 2.98Å; S417-A419 PolarHBondContact O-N 3.11Å; S417-T421 VanDerWaalsContact O-CB 3.29Å; S417-T421 WeakPolarHBondContact O-CB 3.04Å; S417-T421 PolarHBondContact O-N 2.85Å; S417-T421 PolarHBondContact O-OG1 2.96Å; S417-F430 WeakPolarHBondContact O-CZ 3.44Å
418	S	98.7	Very high	96.7	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.014	17%	0.173	C	C	.	.	H	α-helix	trans	-57.7	-53.3	-168.5	-57.7	0	0	0	0	114.6	Y339 H369 T421 S422	Y339-S418 PolarHBondContact OH-O 2.94Å; H369-S418 PolarHBondContact CD2-OG 2.85Å; H369-S418 VanDerWaalsContact CD2-OG 3.31Å; S418-T421 PolarHBondContact O-N 2.91Å; S418-S422 PolarHBondContact O-N 3.15Å; S418-S422 PolarHBondContact O-OG 3.39Å
419	A	98.7	Very high	97.5	Very high	2 Å²	2	24.6 Å²	24.6	2%	0.017	15%	0.146	C	C	.	.	H	α-helix	trans	-62.5	-49.1	-173.9	0	0	0	0	0	112.1	E65 F72 S417 T421 S422 R423	E65-A419 HydrophobicContact CB-CB 3.87Å; F72-A419 HydrophobicContact CD2-CB 4.34Å; F72-A419 WeakPolarHBondContact CD2-O 3.24Å; F72-A419 HydrophobicContact CE2-CB 3.84Å; F72-A419 WeakPolarHBondContact CE2-O 3.49Å; F72-A419 HydrophobicContact CZ-CB 4.4Å; S417-A419 PolarHBondContact O-N 3.11Å; A419-T421 VanDerWaalsContact C-N 3.34Å; A419-T421 PolarHBondContact O-N 2.77Å; A419-S422 WeakPolarHBondContact O-CB 3.4Å; A419-S422 PolarHBondContact O-N 3.02Å; A419-S422 VanDerWaalsContact O-N 3.16Å; A419-R423 PolarHBondContact O-N 3.25Å
420	M	98.8	Very high	98.1	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-70.1	-30.7	178.5	-62.2	-52	-72.1	0	0	112.8	V64 E65 L66 S422 R423 S424 L425 F430	V64-M420 HydrophobicContact CB-CE 4.4Å; V64-M420 HydrophobicContact CG1-CE 4.26Å; V64-M420 HydrophobicContact CG1-CG 4.08Å; V64-M420 HydrophobicContact CG1-SD 4.4Å; V64-M420 HydrophobicContact CG2-CE 4.33Å; E65-M420 HydrophobicContact CB-SD 4.11Å; E65-M420 PolarHBondContact N-SD 2.94Å; E65-M420 WeakPolarHBondContact O-CG 3.41Å; L66-M420 HydrophobicContact CD2-CG 4.41Å; M420-S422 VanDerWaalsContact C-N 3.29Å; M420-S422 PolarHBondContact O-N 2.76Å; M420-R423 CarbonylContact O-C 3.53Å; M420-R423 WeakPolarHBondContact O-CA 3.43Å; M420-R423 WeakPolarHBondContact O-CB 3.21Å; M420-R423 PolarHBondContact O-N 3.2Å; M420-S424 PolarHBondContact O-N 3.42Å; M420-L425 HydrophobicContact CB-CB 4.4Å; M420-L425 HydrophobicContact CB-CD1 4.13Å; M420-L425 HydrophobicContact CB-CD2 3.94Å; M420-L425 HydrophobicContact CB-CG 4.37Å; M420-L425 HydrophobicContact CE-CD1 3.69Å; M420-L425 HydrophobicContact CE-CD2 3.91Å; M420-L425 HydrophobicContact CE-CG 4.47Å; M420-L425 VanDerWaalsContact O-CD1 3.32Å; M420-L425 WeakPolarHBondContact O-CD1 3.41Å; M420-L425 PolarHBondContact O-N 2.83Å; M420-F430 HydrophobicContact CB-CE2 4.2Å; M420-F430 HydrophobicContact CB-CZ 3.85Å
421	T	98.9	Very high	98.4	Very high	8 Å²	8	23.6 Å²	23.6	5%	0.049	13%	0.13	C	C	.	.	H	α-helix	trans	-64.2	-35.6	171.3	-53.4	0	0	0	0	111.5	Y339 Q342 V343 N346 S417 S418 A419 R423 S424	Y339-T421 HydrophobicContact CD2-CG2 3.87Å; Y339-T421 HydrophobicContact CE2-CG2 3.89Å; Q342-T421 HydrophobicContact CB-CG2 3.81Å; Q342-T421 HydrophobicContact CG-CG2 3.64Å; V343-T421 HydrophobicContact CG2-CG2 3.71Å; N346-T421 PolarHBondContact ND2-OG1 2.82Å; S417-T421 VanDerWaalsContact O-CB 3.29Å; S417-T421 WeakPolarHBondContact O-CB 3.04Å; S417-T421 PolarHBondContact O-N 2.85Å; S417-T421 PolarHBondContact O-OG1 2.96Å; S418-T421 PolarHBondContact O-N 2.91Å; A419-T421 VanDerWaalsContact C-N 3.34Å; A419-T421 PolarHBondContact O-N 2.77Å; T421-R423 PolarHBondContact O-N 2.82Å; T421-S424 WeakPolarHBondContact O-CA 3.22Å; T421-S424 PolarHBondContact O-N 3.36Å
422	S	98.7	Very high	98.6	Very high	13 Å²	13	24.5 Å²	24.5	9%	0.091	14%	0.139	C	C	.	.	H	α-helix	trans	-65.4	-19.3	172	-69.8	0	0	0	0	113.1	N71 R276 Y339 S418 A419 M420 S424	N71-S422 WeakPolarHBondContact OD1-CB 3.45Å; N71-S422 PolarHBondContact OD1-OG 3.04Å; R276-S422 WeakPolarHBondContact CD-OG 3.21Å; R276-S422 PolarHBondContact NH1-OG 3.46Å; R276-S422 VanDerWaalsContact NH1-OG 3.15Å; Y339-S422 VanDerWaalsContact CE2-OG 3.25Å; Y339-S422 WeakPolarHBondContact CE2-OG 3.4Å; Y339-S422 PolarHBondContact OH-OG 3.43Å; S418-S422 PolarHBondContact O-N 3.15Å; S418-S422 PolarHBondContact O-OG 3.39Å; A419-S422 WeakPolarHBondContact O-CB 3.4Å; A419-S422 PolarHBondContact O-N 3.02Å; A419-S422 VanDerWaalsContact O-N 3.16Å; M420-S422 VanDerWaalsContact C-N 3.29Å; M420-S422 PolarHBondContact O-N 2.76Å; S422-S424 VanDerWaalsContact C-N 3.29Å
423	R	98.5	Very high	98.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	14	170.4	-60	-170.7	65.3	-165.9	-4.1	113	Q60 I61 S63 F72 A419 M420 T421 L425 S483 F486 P487	Q60-R423 PolarHBondContact O-NH1 3.49Å; Q60-R423 VanDerWaalsContact O-NH1 3.11Å; I61-R423 PolarHBondContact O-NH1 3.39Å; I61-R423 PolarHBondContact O-NH2 2.89Å; I61-R423 VanDerWaalsContact O-NH2 3.15Å; S63-R423 PolarHBondContact O-NH1 3.47Å; F72-R423 HydrophobicContact CD2-CG 3.92Å; F72-R423 HydrophobicContact CE2-CG 3.69Å; A419-R423 PolarHBondContact O-N 3.25Å; M420-R423 CarbonylContact O-C 3.53Å; M420-R423 WeakPolarHBondContact O-CA 3.43Å; M420-R423 WeakPolarHBondContact O-CB 3.21Å; M420-R423 PolarHBondContact O-N 3.2Å; T421-R423 PolarHBondContact O-N 2.82Å; R423-L425 HydrophobicContact CB-CD1 4.12Å; R423-S483 PolarHBondContact NH2-O 2.9Å; R423-F486 HydrophobicContact CB-CB 4.22Å; R423-F486 PolarHBondContact NH2-O 3.02Å; R423-F486 WeakPolarHBondContact O-CB 3.19Å; R423-P487 WeakPolarHBondContact CB-O 3.07Å; R423-P487 WeakPolarHBondContact CG-O 3.39Å; R423-P487 PolarHBondContact NE-O 2.99Å; R423-P487 WeakPolarHBondContact O-CD 3.49Å
424	S	98.4	Very high	98.7	Very high	68 Å²	68	24.5 Å²	24.5	48%	0.476	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	10.9	177.1	-47.8	0	0	0	0	116.7	M420 T421 S422	M420-S424 PolarHBondContact O-N 3.42Å; T421-S424 WeakPolarHBondContact O-CA 3.22Å; T421-S424 PolarHBondContact O-N 3.36Å; S422-S424 VanDerWaalsContact C-N 3.29Å
425	L	98.7	Very high	98.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.15	C	C	.	.			trans	-61.5	144.8	173.8	-82.7	75.5	0	0	0	111.3	N346 M420 R423 D429 F430 V433 F482 F486	N346-L425 PolarHBondContact ND2-O 3.13Å; M420-L425 HydrophobicContact CB-CB 4.4Å; M420-L425 HydrophobicContact CB-CD1 4.13Å; M420-L425 HydrophobicContact CB-CD2 3.94Å; M420-L425 HydrophobicContact CB-CG 4.37Å; M420-L425 HydrophobicContact CE-CD1 3.69Å; M420-L425 HydrophobicContact CE-CD2 3.91Å; M420-L425 HydrophobicContact CE-CG 4.47Å; M420-L425 VanDerWaalsContact O-CD1 3.32Å; M420-L425 WeakPolarHBondContact O-CD1 3.41Å; M420-L425 PolarHBondContact O-N 2.83Å; R423-L425 HydrophobicContact CB-CD1 4.12Å; L425-D429 HydrophobicContact CB-CB 3.93Å; L425-D429 HydrophobicContact CD2-CB 3.8Å; L425-D429 HydrophobicContact CG-CB 3.75Å; L425-F430 HydrophobicContact CB-CD2 4.03Å; L425-F430 HydrophobicContact CB-CE2 3.75Å; L425-F430 HydrophobicContact CD2-CE2 4.39Å; L425-V433 HydrophobicContact CD2-CG2 4.21Å; L425-F482 HydrophobicContact CD2-CE1 3.89Å; L425-F482 HydrophobicContact CD2-CZ 3.82Å; L425-F486 HydrophobicContact CD1-CB 4.13Å; L425-F486 HydrophobicContact CD1-CD1 3.49Å; L425-F486 VanDerWaalsContact CD1-CD1 3.49Å; L425-F486 HydrophobicContact CD1-CD2 3.68Å; L425-F486 HydrophobicContact CD1-CE1 3.71Å; L425-F486 HydrophobicContact CD1-CE2 3.9Å; L425-F486 HydrophobicContact CD1-CG 3.48Å; L425-F486 VanDerWaalsContact CD1-CG 3.48Å; L425-F486 HydrophobicContact CD1-CZ 3.92Å; L425-F486 HydrophobicContact CD2-CE2 4.45Å; L425-F486 HydrophobicContact CD2-CZ 4.46Å; L425-F486 HydrophobicContact CG-CD1 4.08Å; L425-F486 HydrophobicContact CG-CD2 4.34Å; L425-F486 HydrophobicContact CG-CE1 3.75Å; L425-F486 HydrophobicContact CG-CE2 4.03Å; L425-F486 HydrophobicContact CG-CG 4.36Å; L425-F486 HydrophobicContact CG-CZ 3.73Å
426	K	98.8	Very high	98.8	Very high	97 Å²	97	27.6 Å²	27.6	42%	0.422	16%	0.156	S	C	.	.			trans	-119.5	-177.9	178.8	-58.3	-59.9	-176	179.6	0	111	Q342 N346 A428 D429 F430	Q342-K426 HydrophobicContact CG-CD 3.88Å; N346-K426 WeakPolarHBondContact OD1-CA 3.19Å; K426-A428 VanDerWaalsContact C-N 3.31Å; K426-A428 PolarHBondContact O-N 3.05Å; K426-D429 PolarHBondContact N-OD2 2.7Å; K426-D429 WeakPolarHBondContact O-CB 3.46Å; K426-D429 PolarHBondContact O-N 3.48Å; K426-F430 PolarHBondContact O-N 3.05Å
427	E	98.8	Very high	98.8	Very high	70 Å²	70	27.5 Å²	27.5	33%	0.327	16%	0.155	S	C	.	.	H	α-helix	trans	-57.9	-42.2	-172.4	-62.6	93.6	139.2	0	0	112.2	Q342 K345 N346 A349 D429 F430 R431	Q342-E427 VanDerWaalsContact NE2-CD 3.26Å; Q342-E427 PolarHBondContact NE2-OE2 3.26Å; K345-E427 HydrophobicContact CB-CG 3.93Å; K345-E427 VanDerWaalsContact CD-OE1 3.23Å; K345-E427 WeakPolarHBondContact CD-OE1 3.42Å; N346-E427 PolarHBondContact OD1-N 3.49Å; N346-E427 VanDerWaalsContact OD1-N 3.12Å; A349-E427 HydrophobicContact CB-CB 3.81Å; A349-E427 HydrophobicContact CB-CG 4.16Å; E427-D429 VanDerWaalsContact C-N 3.34Å; E427-D429 PolarHBondContact O-N 3.44Å; E427-F430 PolarHBondContact O-N 3.45Å; E427-R431 WeakPolarHBondContact O-CG 3.42Å; E427-R431 PolarHBondContact O-N 3.38Å
428	A	98.8	Very high	98.8	Very high	75 Å²	75	29.2 Å²	29.2	62%	0.62	16%	0.164	S	C	*	.	H	α-helix	trans	-62.7	-40.5	177.2	0	0	0	0	0	112.1	K426 F430 R431 A432	K426-A428 VanDerWaalsContact C-N 3.31Å; K426-A428 PolarHBondContact O-N 3.05Å; A428-F430 VanDerWaalsContact C-N 3.34Å; A428-R431 PolarHBondContact O-N 3.41Å; A428-A432 PolarHBondContact O-N 3Å; A428-A432 VanDerWaalsContact O-N 3.09Å
429	D	98.8	Very high	98.8	Very high	40 Å²	40	32.3 Å²	32.3	21%	0.214	18%	0.178	C	C	.	.	H	α-helix	trans	-65.2	-39.9	177.1	-52.7	-52.9	0	0	0	110.8	L425 K426 E427 R431 A432 V433 F482 F486	L425-D429 HydrophobicContact CB-CB 3.93Å; L425-D429 HydrophobicContact CD2-CB 3.8Å; L425-D429 HydrophobicContact CG-CB 3.75Å; K426-D429 PolarHBondContact N-OD2 2.7Å; K426-D429 WeakPolarHBondContact O-CB 3.46Å; K426-D429 PolarHBondContact O-N 3.48Å; E427-D429 VanDerWaalsContact C-N 3.34Å; E427-D429 PolarHBondContact O-N 3.44Å; D429-R431 VanDerWaalsContact C-N 3.31Å; D429-R431 PolarHBondContact O-N 2.88Å; D429-A432 WeakPolarHBondContact O-CB 3.23Å; D429-A432 PolarHBondContact O-N 3.35Å; D429-V433 WeakPolarHBondContact O-CG2 3.5Å; D429-V433 PolarHBondContact O-N 2.77Å; D429-F482 HydrophobicContact CB-CE2 4.33Å; D429-F482 HydrophobicContact CB-CZ 3.94Å; D429-F486 HydrophobicContact CB-CZ 4.22Å
430	F	98.9	Very high	98.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-68.5	-27.3	176	-91.7	-89.1	0	0	0	113.6	L66 N346 A349 L350 S417 M420 L425 K426 E427 A428 A434	L66-F430 HydrophobicContact CD2-CE1 4.2Å; N346-F430 HydrophobicContact CB-CD1 4.36Å; N346-F430 HydrophobicContact CB-CD2 3.41Å; N346-F430 VanDerWaalsContact CB-CD2 3.41Å; N346-F430 HydrophobicContact CB-CE1 4.42Å; N346-F430 HydrophobicContact CB-CE2 3.5Å; N346-F430 VanDerWaalsContact CB-CE2 3.5Å; N346-F430 HydrophobicContact CB-CG 3.86Å; N346-F430 HydrophobicContact CB-CZ 4Å; N346-F430 WeakPolarHBondContact ND2-CE2 3.44Å; A349-F430 HydrophobicContact CB-CB 4.41Å; L350-F430 HydrophobicContact CB-CB 4.48Å; L350-F430 HydrophobicContact CB-CD1 3.99Å; L350-F430 HydrophobicContact CD2-CD1 4.14Å; L350-F430 HydrophobicContact CD2-CE1 4.39Å; S417-F430 WeakPolarHBondContact O-CZ 3.44Å; M420-F430 HydrophobicContact CB-CE2 4.2Å; M420-F430 HydrophobicContact CB-CZ 3.85Å; L425-F430 HydrophobicContact CB-CD2 4.03Å; L425-F430 HydrophobicContact CB-CE2 3.75Å; L425-F430 HydrophobicContact CD2-CE2 4.39Å; K426-F430 PolarHBondContact O-N 3.05Å; E427-F430 PolarHBondContact O-N 3.45Å; A428-F430 VanDerWaalsContact C-N 3.34Å; F430-A434 PolarHBondContact O-N 3.29Å
431	R	98.8	Very high	98.7	Very high	82 Å²	82	32.2 Å²	32.2	31%	0.309	18%	0.177	S	C	.	.	H	α-helix	trans	-69.6	-41.6	169.6	-65.2	179.3	68.8	92.2	-4.8	111.1	A349 R353 E356 E427 A428 D429 V433 A434 D435	A349-R431 HydrophobicContact CB-CG 4.37Å; R353-R431 HydrophobicContact CB-CB 4.35Å; R353-R431 HydrophobicContact CB-CG 4.06Å; R353-R431 HydrophobicContact CG-CB 4.14Å; R353-R431 HydrophobicContact CG-CG 4.36Å; E356-R431 IonicContact OE1-CZ 3.39Å; E356-R431 IonicContact OE1-NH1 2.85Å; E356-R431 PolarHBondContact OE1-NH1 3.43Å; E356-R431 IonicContact OE1-NH2 2.98Å; E356-R431 PolarHBondContact OE1-NH2 3.08Å; E356-R431 IonicContact OE2-CZ 3.57Å; E356-R431 IonicContact OE2-NH1 3.74Å; E356-R431 IonicContact OE2-NH2 2.65Å; E356-R431 PolarHBondContact OE2-NH2 2.82Å; E427-R431 WeakPolarHBondContact O-CG 3.42Å; E427-R431 PolarHBondContact O-N 3.38Å; A428-R431 PolarHBondContact O-N 3.41Å; D429-R431 VanDerWaalsContact C-N 3.31Å; D429-R431 PolarHBondContact O-N 2.88Å; R431-V433 VanDerWaalsContact C-N 3.32Å; R431-V433 PolarHBondContact O-N 3.21Å; R431-A434 WeakPolarHBondContact O-CB 3.47Å; R431-A434 PolarHBondContact O-N 3.11Å; R431-A434 VanDerWaalsContact O-N 3.14Å; R431-D435 PolarHBondContact O-N 3.48Å
432	A	98.7	Very high	98.7	Very high	32 Å²	32	36.2 Å²	36.2	26%	0.264	20%	0.196	S	C	.	.	H	α-helix	trans	-63.2	-37.7	172.7	0	0	0	0	0	112.2	A428 D429 A434 D435 F436 F482	A428-A432 PolarHBondContact O-N 3Å; A428-A432 VanDerWaalsContact O-N 3.09Å; D429-A432 WeakPolarHBondContact O-CB 3.23Å; D429-A432 PolarHBondContact O-N 3.35Å; A432-A434 VanDerWaalsContact C-N 3.33Å; A432-A434 PolarHBondContact O-N 3.45Å; A432-D435 WeakPolarHBondContact O-CB 3.36Å; A432-D435 PolarHBondContact O-N 3.28Å; A432-F436 WeakPolarHBondContact O-CD2 3.42Å; A432-F436 PolarHBondContact O-N 3.39Å; A432-F482 HydrophobicContact CB-CE2 4.31Å
433	V	98.9	Very high	98.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.5	-41.8	171.5	169.2	0	0	0	0	111.6	V64 L66 L425 D429 R431 D435 F436 I437 F482	V64-V433 HydrophobicContact CG1-CG1 3.89Å; V64-V433 HydrophobicContact CG1-CG2 3.87Å; L66-V433 HydrophobicContact CD1-CG1 3.75Å; L66-V433 HydrophobicContact CD2-CG1 4.15Å; L66-V433 HydrophobicContact CG-CG1 4.48Å; L425-V433 HydrophobicContact CD2-CG2 4.21Å; D429-V433 WeakPolarHBondContact O-CG2 3.5Å; D429-V433 PolarHBondContact O-N 2.77Å; R431-V433 VanDerWaalsContact C-N 3.32Å; R431-V433 PolarHBondContact O-N 3.21Å; V433-D435 VanDerWaalsContact C-N 3.31Å; V433-D435 PolarHBondContact O-N 3.21Å; V433-F436 PolarHBondContact O-N 3.48Å; V433-I437 HydrophobicContact CG1-CD1 4Å; V433-I437 WeakPolarHBondContact O-CG1 3.42Å; V433-I437 PolarHBondContact O-N 3.1Å; V433-F482 HydrophobicContact CG2-CE1 3.59Å; V433-F482 HydrophobicContact CG2-CZ 3.9Å
434	A	98.9	Very high	98.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.9	-38.3	174.6	0	0	0	0	0	112.2	L350 R353 L354 L357 F430 R431 A432 I437 D438	L350-A434 HydrophobicContact CD1-CB 3.79Å; R353-A434 HydrophobicContact CB-CB 3.74Å; R353-A434 HydrophobicContact CG-CB 3.44Å; R353-A434 VanDerWaalsContact CG-CB 3.44Å; L354-A434 HydrophobicContact CD2-CB 4.19Å; L354-A434 HydrophobicContact CG-CB 4.13Å; L357-A434 HydrophobicContact CD1-CB 4.45Å; F430-A434 PolarHBondContact O-N 3.29Å; R431-A434 WeakPolarHBondContact O-CB 3.47Å; R431-A434 PolarHBondContact O-N 3.11Å; R431-A434 VanDerWaalsContact O-N 3.14Å; A432-A434 VanDerWaalsContact C-N 3.33Å; A432-A434 PolarHBondContact O-N 3.45Å; A434-I437 WeakPolarHBondContact O-CB 3.37Å; A434-I437 PolarHBondContact O-N 3.32Å; A434-D438 PolarHBondContact O-N 3.28Å
435	D	98.8	Very high	98.5	Very high	62 Å²	62	34.2 Å²	34.2	33%	0.332	18%	0.178	S	C	.	.	H	α-helix	trans	-65.9	-39.4	176	-61.6	-32.1	0	0	0	111.6	R353 R431 A432 V433 I437 D438 E439	R353-D435 IonicContact CZ-OD1 3.07Å; R353-D435 IonicContact NE-OD1 2.76Å; R353-D435 PolarHBondContact NE-OD1 3.11Å; R353-D435 IonicContact NH2-OD1 3.21Å; R353-D435 PolarHBondContact NH2-OD1 3.23Å; R353-D435 IonicContact NH2-OD2 2.61Å; R431-D435 PolarHBondContact O-N 3.48Å; A432-D435 WeakPolarHBondContact O-CB 3.36Å; A432-D435 PolarHBondContact O-N 3.28Å; V433-D435 VanDerWaalsContact C-N 3.31Å; V433-D435 PolarHBondContact O-N 3.21Å; D435-I437 VanDerWaalsContact C-N 3.33Å; D435-I437 PolarHBondContact O-N 3.37Å; D435-D438 PolarHBondContact O-N 3.21Å; D435-E439 PolarHBondContact O-N 3.46Å
436	F	98.8	Very high	98.3	Very high	26 Å²	26	38.2 Å²	38.2	11%	0.114	20%	0.197	C	C	.	.	H	α-helix	trans	-64.8	-35.8	172.2	-68.6	-51.6	0	0	0	112.8	I394 A432 V433 G440 L475 R478 V479 F482	I394-F436 HydrophobicContact CD1-CB 3.8Å; A432-F436 WeakPolarHBondContact O-CD2 3.42Å; A432-F436 PolarHBondContact O-N 3.39Å; V433-F436 PolarHBondContact O-N 3.48Å; F436-G440 PolarHBondContact O-N 2.95Å; F436-L475 HydrophobicContact CD1-CD1 3.64Å; F436-L475 HydrophobicContact CE1-CD1 4.28Å; F436-R478 HydrophobicContact CE1-CB 3.96Å; F436-R478 HydrophobicContact CZ-CB 4.36Å; F436-V479 HydrophobicContact CB-CG2 4.22Å; F436-V479 HydrophobicContact CD1-CG2 3.9Å; F436-V479 HydrophobicContact CD2-CG2 4.22Å; F436-V479 HydrophobicContact CE1-CG2 4.25Å; F436-V479 HydrophobicContact CG-CG2 3.88Å; F436-F482 HydrophobicContact CE2-CB 3.9Å; F436-F482 AromaticContact CE2-CD1 3.98Å; F436-F482 HydrophobicContact CE2-CD1 3.98Å; F436-F482 HydrophobicContact CE2-CD2 4.25Å; F436-F482 AromaticContact CE2-CG 3.79Å; F436-F482 HydrophobicContact CE2-CG 3.79Å; F436-F482 HydrophobicContact CZ-CB 4.15Å; F436-F482 HydrophobicContact CZ-CG 4.45Å
437	I	98.8	Very high	98.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.4	-46	175.1	-69.9	159.9	0	0	0	110.6	L66 L350 L354 L415 V433 A434 D435 E439 G440 I441	L66-I437 HydrophobicContact CD1-CD1 3.69Å; L66-I437 HydrophobicContact CD1-CG1 4.4Å; L350-I437 HydrophobicContact CD1-CD1 4.09Å; L354-I437 HydrophobicContact CD2-CB 4.49Å; L354-I437 HydrophobicContact CD2-CG2 4.13Å; L415-I437 HydrophobicContact CD1-CD1 4.04Å; V433-I437 HydrophobicContact CG1-CD1 4Å; V433-I437 WeakPolarHBondContact O-CG1 3.42Å; V433-I437 PolarHBondContact O-N 3.1Å; A434-I437 WeakPolarHBondContact O-CB 3.37Å; A434-I437 PolarHBondContact O-N 3.32Å; D435-I437 VanDerWaalsContact C-N 3.33Å; D435-I437 PolarHBondContact O-N 3.37Å; I437-E439 VanDerWaalsContact C-N 3.35Å; I437-E439 PolarHBondContact O-N 2.9Å; I437-G440 PolarHBondContact O-N 3.41Å; I437-I441 HydrophobicContact CG2-CD1 3.77Å; I437-I441 HydrophobicContact CG2-CG1 4.39Å; I437-I441 WeakPolarHBondContact O-CG1 3.5Å; I437-I441 PolarHBondContact O-N 3.46Å
438	D	98.7	Very high	98	Very high	36 Å²	36	32.1 Å²	32.1	19%	0.193	17%	0.17	C	C	.	.	H	α-helix	trans	-56.1	-49.2	175.4	169.3	51.4	0	0	0	110.9	L357 Y359 A434 D435 G440 I441 Q442	L357-D438 HydrophobicContact CD1-CB 3.91Å; Y359-D438 HydrophobicContact CE2-CB 4.02Å; Y359-D438 PolarHBondContact OH-OD1 3.16Å; A434-D438 PolarHBondContact O-N 3.28Å; D435-D438 PolarHBondContact O-N 3.21Å; D438-G440 VanDerWaalsContact C-N 3.31Å; D438-G440 PolarHBondContact O-N 3.47Å; D438-I441 CarbonylContact O-C 3.55Å; D438-I441 WeakPolarHBondContact O-CA 3.4Å; D438-I441 WeakPolarHBondContact O-CB 3.44Å; D438-I441 PolarHBondContact O-N 3.05Å; D438-Q442 WeakPolarHBondContact O-CG 3.39Å; D438-Q442 PolarHBondContact O-N 3.49Å; D438-Q442 PolarHBondContact OD1-NE2 3.35Å
439	E	98.6	Very high	97.6	Very high	67 Å²	67	36.8 Å²	36.8	31%	0.313	18%	0.176	S	C	.	.	H	α-helix	trans	-58.6	-41.9	177.7	-163	177.4	166.7	0	0	112.4	D435 I437 I441 Q442 L443 L475 R478	D435-E439 PolarHBondContact O-N 3.46Å; I437-E439 VanDerWaalsContact C-N 3.35Å; I437-E439 PolarHBondContact O-N 2.9Å; E439-I441 VanDerWaalsContact C-N 3.33Å; E439-I441 PolarHBondContact O-N 3.17Å; E439-Q442 PolarHBondContact O-N 2.95Å; E439-L443 WeakPolarHBondContact O-CG 3.39Å; E439-L443 PolarHBondContact O-N 3.05Å; E439-L475 HydrophobicContact CB-CD2 4.13Å; E439-L475 HydrophobicContact CG-CD2 4.03Å; E439-R478 IonicContact OE1-CZ 3.47Å; E439-R478 IonicContact OE1-NH1 3.76Å; E439-R478 IonicContact OE1-NH2 2.86Å; E439-R478 PolarHBondContact OE1-NH2 3.46Å; E439-R478 IonicContact OE2-CZ 3.62Å; E439-R478 VanDerWaalsContact OE2-CZ 3.24Å; E439-R478 IonicContact OE2-NH1 2.93Å; E439-R478 PolarHBondContact OE2-NH1 3.1Å; E439-R478 IonicContact OE2-NH2 3.48Å; E439-R478 PolarHBondContact OE2-NH2 3.4Å
440	G	98.5	Very high	97.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-36.6	172.9	0	0	0	0	0	113.5	V388 F436 I437 D438 T444	V388-G440 WeakPolarHBondContact CG1-O 3.39Å; F436-G440 PolarHBondContact O-N 2.95Å; I437-G440 PolarHBondContact O-N 3.41Å; D438-G440 VanDerWaalsContact C-N 3.31Å; D438-G440 PolarHBondContact O-N 3.47Å; G440-T444 PolarHBondContact O-N 3.19Å; G440-T444 PolarHBondContact O-OG1 2.92Å
441	I	98.4	Very high	96.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-68.1	-44.9	174	-68	163.7	0	0	0	110.2	Y359 L373 L375 V385 I437 D438 E439 L443 T444 L445	Y359-I441 HydrophobicContact CD1-CD1 4.32Å; Y359-I441 HydrophobicContact CE1-CB 4.44Å; Y359-I441 HydrophobicContact CE1-CD1 3.67Å; Y359-I441 HydrophobicContact CE1-CG2 3.83Å; Y359-I441 HydrophobicContact CE2-CD1 4Å; Y359-I441 VanDerWaalsContact CZ-CD1 3.47Å; Y359-I441 VanDerWaalsContact OH-CB 3.3Å; Y359-I441 WeakPolarHBondContact OH-CB 3.48Å; Y359-I441 VanDerWaalsContact OH-CG2 3.26Å; Y359-I441 WeakPolarHBondContact OH-CG2 3.28Å; L373-I441 HydrophobicContact CD2-CD1 4Å; L375-I441 HydrophobicContact CD2-CD1 3.92Å; L375-I441 HydrophobicContact CD2-CG1 4.42Å; V385-I441 HydrophobicContact CG1-CG1 3.54Å; V385-I441 HydrophobicContact CG2-CG1 4.26Å; I437-I441 HydrophobicContact CG2-CD1 3.77Å; I437-I441 HydrophobicContact CG2-CG1 4.39Å; I437-I441 WeakPolarHBondContact O-CG1 3.5Å; I437-I441 PolarHBondContact O-N 3.46Å; D438-I441 CarbonylContact O-C 3.55Å; D438-I441 WeakPolarHBondContact O-CA 3.4Å; D438-I441 WeakPolarHBondContact O-CB 3.44Å; D438-I441 PolarHBondContact O-N 3.05Å; E439-I441 VanDerWaalsContact C-N 3.33Å; E439-I441 PolarHBondContact O-N 3.17Å; I441-L443 VanDerWaalsContact C-N 3.33Å; I441-L443 PolarHBondContact O-N 3.43Å; I441-T444 CarbonylContact O-C 3.58Å; I441-T444 WeakPolarHBondContact O-CA 3.44Å; I441-T444 VanDerWaalsContact O-CB 3.28Å; I441-T444 WeakPolarHBondContact O-CB 3.48Å; I441-T444 PolarHBondContact O-N 2.97Å; I441-L445 HydrophobicContact CG2-CD1 4.08Å; I441-L445 HydrophobicContact CG2-CG 4.18Å; I441-L445 WeakPolarHBondContact O-CG 3.19Å; I441-L445 PolarHBondContact O-N 3.45Å
442	Q	98	Very high	96.1	Very high	93 Å²	93	38.9 Å²	38.9	44%	0.435	20%	0.2	S	C	.	.	H	α-helix	trans	-59.6	-43.2	178.1	-61.8	-50.1	-38.9	0	0	111.7	Y359 D438 E439 T444 L445 Q446	Y359-Q442 PolarHBondContact OH-NE2 3.43Å; D438-Q442 WeakPolarHBondContact O-CG 3.39Å; D438-Q442 PolarHBondContact O-N 3.49Å; D438-Q442 PolarHBondContact OD1-NE2 3.35Å; E439-Q442 PolarHBondContact O-N 2.95Å; Q442-T444 VanDerWaalsContact C-N 3.33Å; Q442-T444 PolarHBondContact O-N 3.43Å; Q442-L445 PolarHBondContact O-N 3.28Å; Q442-Q446 WeakPolarHBondContact O-CB 3.28Å; Q442-Q446 PolarHBondContact O-N 2.91Å
443	L	97.6	Very high	95.7	Very high	11 Å²	11	46.8 Å²	46.8	6%	0.058	23%	0.228	C	C	.	.	H	α-helix	trans	-59.3	-44.5	172.6	-69.6	175.6	0	0	0	111.2	V388 E439 I441 L445 Q446 Y447 Q471 I472 L475	V388-L443 HydrophobicContact CG1-CB 4.29Å; E439-L443 WeakPolarHBondContact O-CG 3.39Å; E439-L443 PolarHBondContact O-N 3.05Å; I441-L443 VanDerWaalsContact C-N 3.33Å; I441-L443 PolarHBondContact O-N 3.43Å; L443-L445 VanDerWaalsContact C-N 3.34Å; L443-L445 PolarHBondContact O-N 3.31Å; L443-Q446 PolarHBondContact O-N 3.3Å; L443-Y447 HydrophobicContact CD2-CE2 4.16Å; L443-Y447 VanDerWaalsContact O-CD2 3.28Å; L443-Y447 WeakPolarHBondContact O-CD2 3.19Å; L443-Y447 PolarHBondContact O-N 3.01Å; L443-Q471 HydrophobicContact CD2-CB 3.94Å; L443-I472 HydrophobicContact CD1-CD1 4Å; L443-L475 HydrophobicContact CD1-CD2 3.85Å
444	T	97.6	Very high	95.4	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.3	-48	175	-55.3	0	0	0	0	111.3	R384 V385 V388 G440 I441 Q442 Q446 Y447 Q448 F458	R384-T444 HydrophobicContact CB-CG2 3.7Å; V385-T444 HydrophobicContact CG2-CG2 3.83Å; V388-T444 WeakPolarHBondContact CB-OG1 3.41Å; V388-T444 VanDerWaalsContact CG2-OG1 3.24Å; V388-T444 WeakPolarHBondContact CG2-OG1 3.45Å; G440-T444 PolarHBondContact O-N 3.19Å; G440-T444 PolarHBondContact O-OG1 2.92Å; I441-T444 CarbonylContact O-C 3.58Å; I441-T444 WeakPolarHBondContact O-CA 3.44Å; I441-T444 VanDerWaalsContact O-CB 3.28Å; I441-T444 WeakPolarHBondContact O-CB 3.48Å; I441-T444 PolarHBondContact O-N 2.97Å; Q442-T444 VanDerWaalsContact C-N 3.33Å; Q442-T444 PolarHBondContact O-N 3.43Å; T444-Q446 VanDerWaalsContact C-N 3.34Å; T444-Q446 PolarHBondContact O-N 2.89Å; T444-Y447 PolarHBondContact O-N 2.93Å; T444-Q448 WeakPolarHBondContact O-CB 3.49Å; T444-Q448 WeakPolarHBondContact O-CG 3.41Å; T444-Q448 PolarHBondContact O-N 3.07Å; T444-F458 HydrophobicContact CG2-CZ 3.95Å
445	L	96.4	Very high	95	Very high	28 Å²	28	52.5 Å²	52.5	15%	0.147	26%	0.261	C	S	.	.	H	α-helix	trans	-64.6	-35.4	-178.7	-67	178.4	0	0	0	113.2	V378 T380 I441 Q442 L443 Q448 K449	V378-L445 WeakPolarHBondContact O-CD2 3.45Å; T380-L445 HydrophobicContact CG2-CD2 4.04Å; I441-L445 HydrophobicContact CG2-CD1 4.08Å; I441-L445 HydrophobicContact CG2-CG 4.18Å; I441-L445 WeakPolarHBondContact O-CG 3.19Å; I441-L445 PolarHBondContact O-N 3.45Å; Q442-L445 PolarHBondContact O-N 3.28Å; L443-L445 VanDerWaalsContact C-N 3.34Å; L443-L445 PolarHBondContact O-N 3.31Å; L445-Q448 VanDerWaalsContact CD2-NE2 3.35Å; L445-K449 WeakPolarHBondContact O-CE 3.2Å; L445-K449 WeakPolarHBondContact O-CG 3.14Å
446	Q	95.4	Very high	94.8	Very high	83 Å²	83	58 Å²	58	39%	0.388	28%	0.282	S	S	.	.	H	α-helix	trans	-66.1	-57.2	176.1	178.4	178.2	-11.5	0	0	110.4	Q442 L443 T444 K449	Q442-Q446 WeakPolarHBondContact O-CB 3.28Å; Q442-Q446 PolarHBondContact O-N 2.91Å; L443-Q446 PolarHBondContact O-N 3.3Å; T444-Q446 VanDerWaalsContact C-N 3.34Å; T444-Q446 PolarHBondContact O-N 2.89Å; Q446-K449 PolarHBondContact O-N 2.64Å
447	Y	95.6	Very high	94.7	Very high	4 Å²	4	61 Å²	61	2%	0.016	30%	0.296	C	S	.	.	H	α-helix	trans	-83.6	-18.9	-169.5	-70.1	-80.3	0	0	0	114	L443 T444 K449 E450 A451 N465 E467 F468 Q471	L443-Y447 HydrophobicContact CD2-CE2 4.16Å; L443-Y447 VanDerWaalsContact O-CD2 3.28Å; L443-Y447 WeakPolarHBondContact O-CD2 3.19Å; L443-Y447 PolarHBondContact O-N 3.01Å; T444-Y447 PolarHBondContact O-N 2.93Å; Y447-K449 PolarHBondContact O-N 3.38Å; Y447-E450 PolarHBondContact O-N 3.04Å; Y447-E450 VanDerWaalsContact O-N 3.15Å; Y447-A451 PolarHBondContact O-N 3.15Å; Y447-A451 VanDerWaalsContact O-N 3.14Å; Y447-N465 WeakPolarHBondContact CE1-ND2 3.4Å; Y447-E467 WeakPolarHBondContact OH-CG 3.37Å; Y447-F468 HydrophobicContact CD1-CB 3.96Å; Y447-F468 HydrophobicContact CD1-CD2 4.21Å; Y447-F468 HydrophobicContact CD2-CB 4.32Å; Y447-F468 AromaticContact CD2-CD2 3.38Å; Y447-F468 HydrophobicContact CD2-CD2 3.38Å; Y447-F468 HydrophobicContact CD2-CE2 4.15Å; Y447-F468 HydrophobicContact CD2-CG 4.31Å; Y447-F468 HydrophobicContact CE1-CB 3.71Å; Y447-F468 HydrophobicContact CE2-CB 4.07Å; Y447-F468 AromaticContact CE2-CD2 3.72Å; Y447-F468 HydrophobicContact CE2-CD2 3.72Å; Y447-F468 HydrophobicContact CE2-CG 4.39Å; Y447-F468 HydrophobicContact CG-CB 4.23Å; Y447-F468 AromaticContact CG-CD2 3.61Å; Y447-F468 HydrophobicContact CG-CD2 3.61Å; Y447-F468 HydrophobicContact CG-CE2 4.42Å; Y447-F468 HydrophobicContact CG-CG 4.32Å; Y447-F468 PolarHBondContact OH-N 2.89Å; Y447-Q471 PolarHBondContact OH-OE1 3.37Å
448	Q	94.8	Very high	94.5	Very high	36 Å²	36	61 Å²	61	17%	0.168	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.9	171.9	73	177.4	1.5	0	0	112.5	N379 T380 T444 L445 E450 A451 F458	N379-Q448 PolarHBondContact O-NE2 3.25Å; T380-Q448 PolarHBondContact OG1-OE1 3.06Å; T444-Q448 WeakPolarHBondContact O-CB 3.49Å; T444-Q448 WeakPolarHBondContact O-CG 3.41Å; T444-Q448 PolarHBondContact O-N 3.07Å; L445-Q448 VanDerWaalsContact CD2-NE2 3.35Å; Q448-E450 VanDerWaalsContact C-N 3.3Å; Q448-A451 PolarHBondContact O-N 2.89Å; Q448-F458 HydrophobicContact CB-CD2 4.04Å; Q448-F458 HydrophobicContact CB-CE2 3.86Å
449	K	91.7	Very high	94.4	Very high	173 Å²	173	64.1 Å²	64.1	75%	0.752	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-27.1	176.5	-65.6	171.6	-175.4	173	0	112.2	L445 Q446 Y447	L445-K449 WeakPolarHBondContact O-CE 3.2Å; L445-K449 WeakPolarHBondContact O-CG 3.14Å; Q446-K449 PolarHBondContact O-N 2.64Å; Y447-K449 PolarHBondContact O-N 3.38Å
450	E	89	Confident	94.2	Very high	114 Å²	114	63.6 Å²	63.6	53%	0.533	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-16.7	178.7	-60	177.5	-167.3	0	0	112.1	Y447 Q448 N465	Y447-E450 PolarHBondContact O-N 3.04Å; Y447-E450 VanDerWaalsContact O-N 3.15Å; Q448-E450 VanDerWaalsContact C-N 3.3Å; E450-N465 PolarHBondContact OE2-ND2 3.45Å; E450-N465 VanDerWaalsContact OE2-ND2 3.08Å
451	A	89.9	Confident	94	Very high	21 Å²	21	64.6 Å²	64.6	17%	0.174	32%	0.319	C	S	.	.	S	Bend	trans	-86.6	166.3	-179.7	0	0	0	0	0	113.4	Y447 Q448 F458	Y447-A451 PolarHBondContact O-N 3.15Å; Y447-A451 VanDerWaalsContact O-N 3.14Å; Q448-A451 PolarHBondContact O-N 2.89Å; A451-F458 HydrophobicContact CB-CB 4.2Å; A451-F458 HydrophobicContact CB-CD2 3.88Å
452	G	86	Confident	93.8	Very high	30 Å²	30	64.8 Å²	64.8	31%	0.309	32%	0.321	S	S	.	.			trans	-69.2	174.6	167.8	0	0	0	0	0	113.5	T454 E457	G452-T454 VanDerWaalsContact C-N 3.28Å; G452-T454 PolarHBondContact O-N 2.81Å; G452-E457 VanDerWaalsContact C-OE2 3.23Å; G452-E457 WeakPolarHBondContact CA-OE2 3.3Å
453	K	89.3	Confident	93.5	Very high	199 Å²	199	64.5 Å²	64.5	87%	0.865	33%	0.329	S	S	*	.	S	Bend	trans	-70.2	-23.8	-174.9	-65.7	-176.5	179.8	179.9	0	113.3	R384 E457	R384-K453 PolarHBondContact NH2-O 3.09Å; K453-E457 PolarHBondContact N-OE2 2.93Å
454	T	91.9	Very high	93.4	Very high	68 Å²	68	68.1 Å²	68.1	42%	0.417	36%	0.356	S	S	.	.	S	Bend	trans	-92.7	154	-174.8	68.8	0	0	0	0	112	G452 K456 E457 F458	G452-T454 VanDerWaalsContact C-N 3.28Å; G452-T454 PolarHBondContact O-N 2.81Å; T454-K456 PolarHBondContact O-N 3.01Å; T454-E457 WeakPolarHBondContact CB-OE2 3.25Å; T454-E457 WeakPolarHBondContact CG2-OE2 3.47Å; T454-E457 PolarHBondContact N-OE2 3.46Å; T454-E457 PolarHBondContact O-N 3.13Å; T454-E457 WeakPolarHBondContact OG1-CB 3.42Å; T454-E457 WeakPolarHBondContact OG1-CG 3.35Å; T454-E457 PolarHBondContact OG1-N 3.35Å; T454-E457 VanDerWaalsContact OG1-N 3.15Å; T454-E457 PolarHBondContact OG1-OE2 2.86Å; T454-F458 PolarHBondContact O-N 3.2Å
455	L	92.1	Very high	93.3	Very high	51 Å²	51	69.9 Å²	69.9	27%	0.267	37%	0.365	S	S	.	.	H	α-helix	trans	-60	-33	172.6	-177.3	63.6	0	0	0	112	A383 R384 F458 R459	A383-L455 HydrophobicContact CB-CD1 4.29Å; A383-L455 HydrophobicContact CB-CD2 3.94Å; R384-L455 HydrophobicContact CG-CD1 3.93Å; L455-F458 HydrophobicContact CD1-CD1 4.23Å; L455-F458 PolarHBondContact O-N 3Å; L455-R459 WeakPolarHBondContact O-CG 3.44Å; L455-R459 PolarHBondContact O-N 3.38Å
456	K	94.8	Very high	93.3	Very high	177 Å²	177	71.6 Å²	71.6	77%	0.77	38%	0.383	S	S	*	.	H	α-helix	trans	-63	-45.9	176.6	-177.3	-178.7	176.2	-177	0	111.4	T454 R459 A460	T454-K456 PolarHBondContact O-N 3.01Å; K456-R459 PolarHBondContact O-N 3.12Å; K456-A460 WeakPolarHBondContact O-CB 3.24Å; K456-A460 PolarHBondContact O-N 3.09Å
457	E	95.4	Very high	93.3	Very high	90 Å²	90	71.4 Å²	71.4	42%	0.421	38%	0.382	S	S	.	.	H	α-helix	trans	-66.9	-39.1	176.8	-69.3	158.3	152.9	0	0	111.5	G452 K453 T454 A460 S461	G452-E457 VanDerWaalsContact C-OE2 3.23Å; G452-E457 WeakPolarHBondContact CA-OE2 3.3Å; K453-E457 PolarHBondContact N-OE2 2.93Å; T454-E457 WeakPolarHBondContact CB-OE2 3.25Å; T454-E457 WeakPolarHBondContact CG2-OE2 3.47Å; T454-E457 PolarHBondContact N-OE2 3.46Å; T454-E457 PolarHBondContact O-N 3.13Å; T454-E457 WeakPolarHBondContact OG1-CB 3.42Å; T454-E457 WeakPolarHBondContact OG1-CG 3.35Å; T454-E457 PolarHBondContact OG1-N 3.35Å; T454-E457 VanDerWaalsContact OG1-N 3.15Å; T454-E457 PolarHBondContact OG1-OE2 2.86Å; E457-A460 PolarHBondContact O-N 2.87Å; E457-S461 WeakPolarHBondContact O-CB 3.26Å; E457-S461 PolarHBondContact O-N 2.82Å
458	F	96	Very high	93.4	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-58.3	-50.4	173.6	179	-106.2	0	0	0	112.2	R384 V388 T444 Q448 A451 T454 L455 A460 S461 C462	R384-F458 HydrophobicContact CB-CD1 4.08Å; R384-F458 HydrophobicContact CB-CE1 3.79Å; R384-F458 HydrophobicContact CB-CZ 4.2Å; R384-F458 HydrophobicContact CG-CD1 3.74Å; R384-F458 HydrophobicContact CG-CE1 3.99Å; R384-F458 HydrophobicContact CG-CG 4.06Å; V388-F458 HydrophobicContact CG2-CE1 4.13Å; V388-F458 HydrophobicContact CG2-CZ 3.86Å; T444-F458 HydrophobicContact CG2-CZ 3.95Å; Q448-F458 HydrophobicContact CB-CD2 4.04Å; Q448-F458 HydrophobicContact CB-CE2 3.86Å; A451-F458 HydrophobicContact CB-CB 4.2Å; A451-F458 HydrophobicContact CB-CD2 3.88Å; T454-F458 PolarHBondContact O-N 3.2Å; L455-F458 HydrophobicContact CD1-CD1 4.23Å; L455-F458 PolarHBondContact O-N 3Å; F458-A460 VanDerWaalsContact C-N 3.33Å; F458-A460 PolarHBondContact O-N 3.45Å; F458-S461 WeakPolarHBondContact O-CB 3.25Å; F458-S461 PolarHBondContact O-N 2.91Å; F458-C462 PolarHBondContact O-N 3.07Å; F458-C462 PolarHBondContact O-SG 2.89Å
459	R	95.4	Very high	93.5	Very high	101 Å²	101	75.7 Å²	75.7	38%	0.381	40%	0.397	S	S	.	.	H	α-helix	trans	-60.7	-41.1	176.2	-71.6	177.2	173.3	-178.1	-3.8	112.3	L455 K456 C462 S463	L455-R459 WeakPolarHBondContact O-CG 3.44Å; L455-R459 PolarHBondContact O-N 3.38Å; K456-R459 PolarHBondContact O-N 3.12Å; R459-C462 WeakPolarHBondContact O-CB 3.45Å; R459-C462 PolarHBondContact O-N 3.45Å; R459-S463 PolarHBondContact O-N 3.49Å; R459-S463 PolarHBondContact O-OG 3.4Å
460	A	95.3	Very high	93.8	Very high	56 Å²	56	72.5 Å²	72.5	46%	0.463	38%	0.38	S	S	.	.	H	α-helix	trans	-64.3	-41.2	176.7	0	0	0	0	0	112.2	K456 E457 F458 S463 S464	K456-A460 WeakPolarHBondContact O-CB 3.24Å; K456-A460 PolarHBondContact O-N 3.09Å; E457-A460 PolarHBondContact O-N 2.87Å; F458-A460 VanDerWaalsContact C-N 3.33Å; F458-A460 PolarHBondContact O-N 3.45Å; A460-S463 PolarHBondContact O-N 3.23Å; A460-S464 WeakPolarHBondContact O-CB 3.35Å; A460-S464 PolarHBondContact O-N 3.06Å; A460-S464 VanDerWaalsContact O-N 3.16Å; A460-S464 PolarHBondContact O-OG 3.19Å
461	S	94.2	Very high	94.3	Very high	21 Å²	21	68.9 Å²	68.9	15%	0.147	36%	0.363	C	S	.	.	H	α-helix	trans	-60.9	-47.2	174	-177.8	0	0	0	0	111.5	E457 F458 S463 S464 N465	E457-S461 WeakPolarHBondContact O-CB 3.26Å; E457-S461 PolarHBondContact O-N 2.82Å; F458-S461 WeakPolarHBondContact O-CB 3.25Å; F458-S461 PolarHBondContact O-N 2.91Å; S461-S463 VanDerWaalsContact C-N 3.3Å; S461-S463 PolarHBondContact O-N 3.45Å; S461-S464 PolarHBondContact O-N 3.09Å; S461-S464 VanDerWaalsContact O-N 3.11Å; S461-S464 PolarHBondContact O-OG 3.21Å; S461-N465 VanDerWaalsContact O-CB 3.3Å; S461-N465 WeakPolarHBondContact O-CB 3.17Å; S461-N465 PolarHBondContact O-N 2.92Å
462	C	93.8	Very high	94.7	Very high	4 Å²	4	68.1 Å²	68.1	3%	0.027	36%	0.356	C	S	.	.	H	α-helix	trans	-54.3	-43.7	174.6	-67.6	0	0	0	0	112.4	F458 R459 S464 F468	F458-C462 PolarHBondContact O-N 3.07Å; F458-C462 PolarHBondContact O-SG 2.89Å; R459-C462 WeakPolarHBondContact O-CB 3.45Å; R459-C462 PolarHBondContact O-N 3.45Å; C462-S464 VanDerWaalsContact C-N 3.35Å; C462-S464 PolarHBondContact O-N 3.18Å; C462-F468 HydrophobicContact CB-CD1 3.91Å; C462-F468 HydrophobicContact CB-CE1 3.35Å; C462-F468 HydrophobicContact CB-CZ 3.72Å; C462-F468 WeakPolarHBondContact O-CD1 3.31Å; C462-F468 WeakPolarHBondContact SG-CZ 3.37Å
463	S	92.4	Very high	95.3	Very high	87 Å²	87	70.2 Å²	70.2	61%	0.608	36%	0.36	S	S	*	.	H	α-helix	trans	-71.8	-25.4	-179.9	-63.1	0	0	0	0	114.4	R459 A460 S461	R459-S463 PolarHBondContact O-N 3.49Å; R459-S463 PolarHBondContact O-OG 3.4Å; A460-S463 PolarHBondContact O-N 3.23Å; S461-S463 VanDerWaalsContact C-N 3.3Å; S461-S463 PolarHBondContact O-N 3.45Å
464	S	94	Very high	95.7	Very high	88 Å²	88	65.3 Å²	65.3	62%	0.615	34%	0.341	S	S	*	.	H	α-helix	trans	-101.6	-28	-172.1	50	0	0	0	0	113.6	A460 S461 C462 A466	A460-S464 WeakPolarHBondContact O-CB 3.35Å; A460-S464 PolarHBondContact O-N 3.06Å; A460-S464 VanDerWaalsContact O-N 3.16Å; A460-S464 PolarHBondContact O-OG 3.19Å; S461-S464 PolarHBondContact O-N 3.09Å; S461-S464 VanDerWaalsContact O-N 3.11Å; S461-S464 PolarHBondContact O-OG 3.21Å; C462-S464 VanDerWaalsContact C-N 3.35Å; C462-S464 PolarHBondContact O-N 3.18Å; S464-A466 PolarHBondContact O-N 3.11Å
465	N	95.5	Very high	96	Very high	36 Å²	36	62.1 Å²	62.1	19%	0.193	32%	0.321	C	S	.	.			trans	-73.9	115.1	-179.3	-172.1	-43.3	0	0	0	110.4	Y447 E450 S461 E467 F468 R469	Y447-N465 WeakPolarHBondContact CE1-ND2 3.4Å; E450-N465 PolarHBondContact OE2-ND2 3.45Å; E450-N465 VanDerWaalsContact OE2-ND2 3.08Å; S461-N465 VanDerWaalsContact O-CB 3.3Å; S461-N465 WeakPolarHBondContact O-CB 3.17Å; S461-N465 PolarHBondContact O-N 2.92Å; N465-E467 PolarHBondContact OD1-N 2.8Å; N465-F468 HydrophobicContact CB-CB 3.85Å; N465-F468 PolarHBondContact OD1-N 2.67Å; N465-R469 WeakPolarHBondContact O-CG 3.47Å; N465-R469 PolarHBondContact O-N 2.99Å; N465-R469 VanDerWaalsContact O-N 3.15Å
466	A	96.3	Very high	96.3	Very high	64 Å²	64	63.7 Å²	63.7	53%	0.529	32%	0.323	S	S	.	.	H	α-helix	trans	-67.3	-36.2	-176.8	0	0	0	0	0	112.9	S464 R469 R470	S464-A466 PolarHBondContact O-N 3.11Å; A466-R469 PolarHBondContact O-N 3.26Å; A466-R470 PolarHBondContact O-N 3.4Å
467	E	96.7	Very high	96.5	Very high	79 Å²	79	58.9 Å²	58.9	37%	0.369	31%	0.311	S	S	.	.	H	α-helix	trans	-72.4	-40.1	-179.8	-178	53.7	-159.5	0	0	111	Y447 N465 R469 R470 Q471	Y447-E467 WeakPolarHBondContact OH-CG 3.37Å; N465-E467 PolarHBondContact OD1-N 2.8Å; E467-R469 PolarHBondContact O-N 3.35Å; E467-R470 PolarHBondContact O-N 2.89Å; E467-R470 IonicContact OE1-CZ 3.04Å; E467-R470 IonicContact OE1-NE 3.94Å; E467-R470 PolarHBondContact OE1-NE 2.65Å; E467-R470 IonicContact OE1-NH2 2.81Å; E467-R470 PolarHBondContact OE1-NH2 2.89Å; E467-R470 IonicContact OE2-CZ 2.79Å; E467-R470 IonicContact OE2-NE 2.98Å; E467-R470 PolarHBondContact OE2-NE 3.42Å; E467-R470 IonicContact OE2-NH2 2.66Å; E467-Q471 WeakPolarHBondContact O-CG 3.02Å; E467-Q471 PolarHBondContact O-N 3.31Å; E467-Q471 PolarHBondContact OE1-NE2 2.85Å
468	F	97	Very high	96.7	Very high	2 Å²	2	59 Å²	59	1%	0.009	31%	0.308	C	S	.	.	H	α-helix	trans	-56.2	-50.3	170.6	175.6	-95.8	0	0	0	111.1	V388 L391 Y447 C462 N465 R470 Q471 I472	V388-F468 HydrophobicContact CG2-CE2 4.28Å; V388-F468 HydrophobicContact CG2-CZ 4.16Å; L391-F468 HydrophobicContact CD1-CE1 3.8Å; L391-F468 HydrophobicContact CD1-CZ 3.93Å; Y447-F468 HydrophobicContact CD1-CB 3.96Å; Y447-F468 HydrophobicContact CD1-CD2 4.21Å; Y447-F468 HydrophobicContact CD2-CB 4.32Å; Y447-F468 AromaticContact CD2-CD2 3.38Å; Y447-F468 HydrophobicContact CD2-CD2 3.38Å; Y447-F468 HydrophobicContact CD2-CE2 4.15Å; Y447-F468 HydrophobicContact CD2-CG 4.31Å; Y447-F468 HydrophobicContact CE1-CB 3.71Å; Y447-F468 HydrophobicContact CE2-CB 4.07Å; Y447-F468 AromaticContact CE2-CD2 3.72Å; Y447-F468 HydrophobicContact CE2-CD2 3.72Å; Y447-F468 HydrophobicContact CE2-CG 4.39Å; Y447-F468 HydrophobicContact CG-CB 4.23Å; Y447-F468 AromaticContact CG-CD2 3.61Å; Y447-F468 HydrophobicContact CG-CD2 3.61Å; Y447-F468 HydrophobicContact CG-CE2 4.42Å; Y447-F468 HydrophobicContact CG-CG 4.32Å; Y447-F468 PolarHBondContact OH-N 2.89Å; C462-F468 HydrophobicContact CB-CD1 3.91Å; C462-F468 HydrophobicContact CB-CE1 3.35Å; C462-F468 HydrophobicContact CB-CZ 3.72Å; C462-F468 WeakPolarHBondContact O-CD1 3.31Å; C462-F468 WeakPolarHBondContact SG-CZ 3.37Å; N465-F468 HydrophobicContact CB-CB 3.85Å; N465-F468 PolarHBondContact OD1-N 2.67Å; F468-R470 VanDerWaalsContact C-N 3.3Å; F468-R470 PolarHBondContact O-N 3.07Å; F468-Q471 PolarHBondContact O-N 2.93Å; F468-I472 HydrophobicContact CD1-CG1 3.84Å; F468-I472 HydrophobicContact CD2-CG1 4.17Å; F468-I472 HydrophobicContact CE1-CD1 4.12Å; F468-I472 HydrophobicContact CE1-CG1 3.47Å; F468-I472 VanDerWaalsContact CE1-CG1 3.47Å; F468-I472 HydrophobicContact CE2-CD1 3.9Å; F468-I472 HydrophobicContact CE2-CG1 3.85Å; F468-I472 HydrophobicContact CG-CG1 4.21Å; F468-I472 HydrophobicContact CZ-CD1 3.63Å; F468-I472 HydrophobicContact CZ-CG1 3.49Å; F468-I472 VanDerWaalsContact CZ-CG1 3.49Å; F468-I472 WeakPolarHBondContact O-CB 3.4Å; F468-I472 VanDerWaalsContact O-CG1 3.26Å; F468-I472 WeakPolarHBondContact O-CG1 3.4Å; F468-I472 PolarHBondContact O-N 2.99Å
469	R	97.5	Very high	96.8	Very high	128 Å²	128	59 Å²	59	48%	0.483	31%	0.308	S	S	.	.	H	α-helix	trans	-59.8	-40	179.9	-72	-173	-64	137.7	-1.6	112.3	N465 A466 E467 I472 D473	N465-R469 WeakPolarHBondContact O-CG 3.47Å; N465-R469 PolarHBondContact O-N 2.99Å; N465-R469 VanDerWaalsContact O-N 3.15Å; A466-R469 PolarHBondContact O-N 3.26Å; E467-R469 PolarHBondContact O-N 3.35Å; R469-I472 PolarHBondContact O-N 3.3Å; R469-D473 WeakPolarHBondContact O-CB 3.42Å; R469-D473 PolarHBondContact O-N 2.94Å
470	R	98.2	Very high	97	Very high	106 Å²	106	56.6 Å²	56.6	40%	0.4	30%	0.301	S	S	.	.	H	α-helix	trans	-60.3	-49.1	175.2	-171.4	-171.8	69.4	77.1	1.8	111.6	A466 E467 F468 D473 E474	A466-R470 PolarHBondContact O-N 3.4Å; E467-R470 PolarHBondContact O-N 2.89Å; E467-R470 IonicContact OE1-CZ 3.04Å; E467-R470 IonicContact OE1-NE 3.94Å; E467-R470 PolarHBondContact OE1-NE 2.65Å; E467-R470 IonicContact OE1-NH2 2.81Å; E467-R470 PolarHBondContact OE1-NH2 2.89Å; E467-R470 IonicContact OE2-CZ 2.79Å; E467-R470 IonicContact OE2-NE 2.98Å; E467-R470 PolarHBondContact OE2-NE 3.42Å; E467-R470 IonicContact OE2-NH2 2.66Å; F468-R470 VanDerWaalsContact C-N 3.3Å; F468-R470 PolarHBondContact O-N 3.07Å; R470-D473 PolarHBondContact O-N 2.66Å; R470-E474 IonicContact CZ-OE1 3.08Å; R470-E474 IonicContact CZ-OE2 3.82Å; R470-E474 IonicContact NH1-OE1 3.33Å; R470-E474 PolarHBondContact NH1-OE1 3.1Å; R470-E474 IonicContact NH1-OE2 3.91Å; R470-E474 PolarHBondContact NH1-OE2 3.39Å; R470-E474 WeakPolarHBondContact O-CG 3.43Å; R470-E474 PolarHBondContact O-N 3.15Å
471	Q	98.2	Very high	97.1	Very high	38 Å²	38	60.5 Å²	60.5	18%	0.178	31%	0.309	C	S	.	.	H	α-helix	trans	-65.8	-38.8	-179.9	-67.4	178.6	0.2	0	0	112.2	L443 Y447 E467 F468 E474 L475	L443-Q471 HydrophobicContact CD2-CB 3.94Å; Y447-Q471 PolarHBondContact OH-OE1 3.37Å; E467-Q471 WeakPolarHBondContact O-CG 3.02Å; E467-Q471 PolarHBondContact O-N 3.31Å; E467-Q471 PolarHBondContact OE1-NE2 2.85Å; F468-Q471 PolarHBondContact O-N 2.93Å; Q471-E474 PolarHBondContact O-N 2.76Å; Q471-L475 WeakPolarHBondContact O-CB 3.36Å; Q471-L475 PolarHBondContact O-N 3.11Å
472	I	98.4	Very high	97.3	Very high	6 Å²	6	61 Å²	61	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-62.6	-44.4	172.3	-69.9	-65.4	0	0	0	111.4	V388 L391 V392 L443 F468 R469 E474 L475 R476	V388-I472 HydrophobicContact CG1-CD1 3.83Å; L391-I472 HydrophobicContact CB-CD1 4.47Å; L391-I472 HydrophobicContact CB-CG2 3.8Å; V392-I472 HydrophobicContact CG1-CB 4.46Å; V392-I472 HydrophobicContact CG1-CD1 3.67Å; V392-I472 HydrophobicContact CG1-CG2 4.02Å; L443-I472 HydrophobicContact CD1-CD1 4Å; F468-I472 HydrophobicContact CD1-CG1 3.84Å; F468-I472 HydrophobicContact CD2-CG1 4.17Å; F468-I472 HydrophobicContact CE1-CD1 4.12Å; F468-I472 HydrophobicContact CE1-CG1 3.47Å; F468-I472 VanDerWaalsContact CE1-CG1 3.47Å; F468-I472 HydrophobicContact CE2-CD1 3.9Å; F468-I472 HydrophobicContact CE2-CG1 3.85Å; F468-I472 HydrophobicContact CG-CG1 4.21Å; F468-I472 HydrophobicContact CZ-CD1 3.63Å; F468-I472 HydrophobicContact CZ-CG1 3.49Å; F468-I472 VanDerWaalsContact CZ-CG1 3.49Å; F468-I472 WeakPolarHBondContact O-CB 3.4Å; F468-I472 VanDerWaalsContact O-CG1 3.26Å; F468-I472 WeakPolarHBondContact O-CG1 3.4Å; F468-I472 PolarHBondContact O-N 2.99Å; R469-I472 PolarHBondContact O-N 3.3Å; I472-E474 VanDerWaalsContact C-N 3.31Å; I472-E474 PolarHBondContact O-N 3.12Å; I472-L475 PolarHBondContact O-N 3.03Å; I472-R476 WeakPolarHBondContact O-CB 3.29Å; I472-R476 PolarHBondContact O-N 3.34Å
473	D	98.3	Very high	97.5	Very high	74 Å²	74	60.9 Å²	60.9	40%	0.396	31%	0.308	S	S	.	.	H	α-helix	trans	-63.1	-39.2	179.3	-71.7	-15.8	0	0	0	111.4	R469 R470 R476 C477	R469-D473 WeakPolarHBondContact O-CB 3.42Å; R469-D473 PolarHBondContact O-N 2.94Å; R470-D473 PolarHBondContact O-N 2.66Å; D473-R476 VanDerWaalsContact CG-NH2 3.31Å; D473-R476 IonicContact OD1-CZ 3.71Å; D473-R476 VanDerWaalsContact OD1-CZ 3.24Å; D473-R476 IonicContact OD1-NH1 2.87Å; D473-R476 PolarHBondContact OD1-NH1 2.98Å; D473-R476 IonicContact OD1-NH2 3.71Å; D473-R476 PolarHBondContact OD1-NH2 2.89Å; D473-C477 WeakPolarHBondContact O-CB 3.48Å; D473-C477 PolarHBondContact O-N 2.82Å
474	E	98.5	Very high	97.8	Very high	96 Å²	96	60 Å²	60	45%	0.449	30%	0.299	S	S	.	.	H	α-helix	trans	-66.7	-47.5	176	-75.3	171.2	-173.8	0	0	112.7	R470 Q471 I472 C477 R478	R470-E474 IonicContact CZ-OE1 3.08Å; R470-E474 IonicContact CZ-OE2 3.82Å; R470-E474 IonicContact NH1-OE1 3.33Å; R470-E474 PolarHBondContact NH1-OE1 3.1Å; R470-E474 IonicContact NH1-OE2 3.91Å; R470-E474 PolarHBondContact NH1-OE2 3.39Å; R470-E474 WeakPolarHBondContact O-CG 3.43Å; R470-E474 PolarHBondContact O-N 3.15Å; Q471-E474 PolarHBondContact O-N 2.76Å; I472-E474 VanDerWaalsContact C-N 3.31Å; I472-E474 PolarHBondContact O-N 3.12Å; E474-C477 PolarHBondContact O-N 3.35Å; E474-R478 PolarHBondContact O-N 3.41Å
475	L	98.7	Very high	98	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.4	-44.8	176.4	176.2	52	0	0	0	111.1	V392 F436 E439 L443 Q471 I472 C477 R478 V479	V392-L475 HydrophobicContact CB-CD2 4.3Å; V392-L475 HydrophobicContact CB-CG 3.96Å; V392-L475 HydrophobicContact CG1-CB 4.01Å; V392-L475 HydrophobicContact CG1-CD2 3.89Å; V392-L475 HydrophobicContact CG1-CG 3.79Å; V392-L475 HydrophobicContact CG2-CD2 4.22Å; V392-L475 HydrophobicContact CG2-CG 4.26Å; F436-L475 HydrophobicContact CD1-CD1 3.64Å; F436-L475 HydrophobicContact CE1-CD1 4.28Å; E439-L475 HydrophobicContact CB-CD2 4.13Å; E439-L475 HydrophobicContact CG-CD2 4.03Å; L443-L475 HydrophobicContact CD1-CD2 3.85Å; Q471-L475 WeakPolarHBondContact O-CB 3.36Å; Q471-L475 PolarHBondContact O-N 3.11Å; I472-L475 PolarHBondContact O-N 3.03Å; L475-C477 VanDerWaalsContact C-N 3.28Å; L475-C477 PolarHBondContact O-N 2.74Å; L475-R478 PolarHBondContact O-N 2.82Å; L475-R478 VanDerWaalsContact O-N 3.16Å; L475-V479 HydrophobicContact CD1-CG2 3.91Å; L475-V479 HydrophobicContact CG-CG2 4.4Å; L475-V479 WeakPolarHBondContact O-CG2 3.46Å; L475-V479 PolarHBondContact O-N 3.2Å
476	R	98.8	Very high	98.1	Very high	85 Å²	85	59.5 Å²	59.5	32%	0.321	30%	0.295	S	S	.	.	H	α-helix	trans	-56.1	-43.4	174.4	-174.4	179.5	60.8	-153.4	-7.4	111.4	L391 V392 I472 D473 R478 V479 Q480	L391-R476 WeakPolarHBondContact O-CD 3.04Å; V392-R476 HydrophobicContact CB-CB 4.35Å; I472-R476 WeakPolarHBondContact O-CB 3.29Å; I472-R476 PolarHBondContact O-N 3.34Å; D473-R476 VanDerWaalsContact CG-NH2 3.31Å; D473-R476 IonicContact OD1-CZ 3.71Å; D473-R476 VanDerWaalsContact OD1-CZ 3.24Å; D473-R476 IonicContact OD1-NH1 2.87Å; D473-R476 PolarHBondContact OD1-NH1 2.98Å; D473-R476 IonicContact OD1-NH2 3.71Å; D473-R476 PolarHBondContact OD1-NH2 2.89Å; R476-R478 VanDerWaalsContact C-N 3.34Å; R476-R478 PolarHBondContact O-N 2.82Å; R476-V479 PolarHBondContact O-N 2.86Å; R476-Q480 HydrophobicContact CG-CG 4.16Å; R476-Q480 WeakPolarHBondContact O-CB 3.43Å; R476-Q480 VanDerWaalsContact O-CG 3.23Å; R476-Q480 WeakPolarHBondContact O-CG 3.48Å; R476-Q480 PolarHBondContact O-N 3.43Å
477	C	98.6	Very high	98.2	Very high	76 Å²	76	60.1 Å²	60.1	51%	0.514	29%	0.293	S	S	.	.	H	α-helix	trans	-59.1	-45.9	178.5	-175	0	0	0	0	111.5	D473 E474 L475 Q480 Q481	D473-C477 WeakPolarHBondContact O-CB 3.48Å; D473-C477 PolarHBondContact O-N 2.82Å; E474-C477 PolarHBondContact O-N 3.35Å; L475-C477 VanDerWaalsContact C-N 3.28Å; L475-C477 PolarHBondContact O-N 2.74Å; C477-Q480 PolarHBondContact O-N 3.47Å; C477-Q481 WeakPolarHBondContact O-CB 3.25Å; C477-Q481 PolarHBondContact O-N 2.85Å
478	R	98.6	Very high	98.2	Very high	93 Å²	93	58 Å²	58	35%	0.351	28%	0.283	S	S	.	.	H	α-helix	trans	-65.1	-43.4	176.5	-72.8	-176.9	-69.8	124.5	-1.5	112.9	F436 E439 E474 L475 R476 Q481 F482	F436-R478 HydrophobicContact CE1-CB 3.96Å; F436-R478 HydrophobicContact CZ-CB 4.36Å; E439-R478 IonicContact OE1-CZ 3.47Å; E439-R478 IonicContact OE1-NH1 3.76Å; E439-R478 IonicContact OE1-NH2 2.86Å; E439-R478 PolarHBondContact OE1-NH2 3.46Å; E439-R478 IonicContact OE2-CZ 3.62Å; E439-R478 VanDerWaalsContact OE2-CZ 3.24Å; E439-R478 IonicContact OE2-NH1 2.93Å; E439-R478 PolarHBondContact OE2-NH1 3.1Å; E439-R478 IonicContact OE2-NH2 3.48Å; E439-R478 PolarHBondContact OE2-NH2 3.4Å; E474-R478 PolarHBondContact O-N 3.41Å; L475-R478 PolarHBondContact O-N 2.82Å; L475-R478 VanDerWaalsContact O-N 3.16Å; R476-R478 VanDerWaalsContact C-N 3.34Å; R476-R478 PolarHBondContact O-N 2.82Å; R478-Q481 PolarHBondContact O-N 3.17Å; R478-F482 WeakPolarHBondContact O-CB 3.39Å; R478-F482 PolarHBondContact O-N 3.49Å
479	V	98.8	Very high	98.2	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.3	-43.6	177	173.5	0	0	0	0	111	V64 V392 I394 F436 L475 R476 F482 S483	V64-V479 HydrophobicContact CG2-CG1 3.83Å; V392-V479 VanDerWaalsContact O-CB 3.29Å; V392-V479 WeakPolarHBondContact O-CB 3.46Å; V392-V479 VanDerWaalsContact O-CG1 3.26Å; V392-V479 WeakPolarHBondContact O-CG1 3.44Å; I394-V479 HydrophobicContact CD1-CG1 4.47Å; I394-V479 HydrophobicContact CD1-CG2 4.09Å; I394-V479 HydrophobicContact CG1-CG1 3.82Å; I394-V479 HydrophobicContact CG1-CG2 4.26Å; F436-V479 HydrophobicContact CB-CG2 4.22Å; F436-V479 HydrophobicContact CD1-CG2 3.9Å; F436-V479 HydrophobicContact CD2-CG2 4.22Å; F436-V479 HydrophobicContact CE1-CG2 4.25Å; F436-V479 HydrophobicContact CG-CG2 3.88Å; L475-V479 HydrophobicContact CD1-CG2 3.91Å; L475-V479 HydrophobicContact CG-CG2 4.4Å; L475-V479 WeakPolarHBondContact O-CG2 3.46Å; L475-V479 PolarHBondContact O-N 3.2Å; R476-V479 PolarHBondContact O-N 2.86Å; V479-F482 PolarHBondContact O-N 3.41Å; V479-S483 WeakPolarHBondContact O-CB 3.4Å; V479-S483 PolarHBondContact O-N 3.25Å; V479-S483 PolarHBondContact O-OG 3.49Å
480	Q	98.7	Very high	98.1	Very high	50 Å²	50	54.5 Å²	54.5	23%	0.234	28%	0.281	C	S	.	.	H	α-helix	trans	-67.5	-38.6	177.7	-69.8	-173.5	-1.2	0	0	112.1	R62 S393 R476 C477 F482 S483 T484	R62-Q480 HydrophobicContact CB-CG 4.11Å; R62-Q480 WeakPolarHBondContact O-CG 3.41Å; S393-Q480 PolarHBondContact OG-NE2 3.1Å; R476-Q480 HydrophobicContact CG-CG 4.16Å; R476-Q480 WeakPolarHBondContact O-CB 3.43Å; R476-Q480 VanDerWaalsContact O-CG 3.23Å; R476-Q480 WeakPolarHBondContact O-CG 3.48Å; R476-Q480 PolarHBondContact O-N 3.43Å; C477-Q480 PolarHBondContact O-N 3.47Å; Q480-F482 VanDerWaalsContact C-N 3.34Å; Q480-S483 WeakPolarHBondContact CA-OG 3.38Å; Q480-S483 PolarHBondContact O-OG 2.81Å; Q480-S483 VanDerWaalsContact O-OG 3.11Å; Q480-T484 VanDerWaalsContact O-CB 3.32Å; Q480-T484 WeakPolarHBondContact O-CB 3.49Å; Q480-T484 WeakPolarHBondContact O-CG2 3.31Å; Q480-T484 PolarHBondContact O-N 2.91Å; Q480-T484 PolarHBondContact O-OG1 3.13Å
481	Q	98.5	Very high	97.9	Very high	138 Å²	138	51.4 Å²	51.4	65%	0.645	27%	0.271	S	S	*	.	H	α-helix	trans	-64	-41.7	174.1	-174.8	178.5	5	0	0	111.3	C477 R478 T484	C477-Q481 WeakPolarHBondContact O-CB 3.25Å; C477-Q481 PolarHBondContact O-N 2.85Å; R478-Q481 PolarHBondContact O-N 3.17Å; Q481-T484 PolarHBondContact O-OG1 2.96Å
482	F	98.7	Very high	97.5	Very high	32 Å²	32	56.3 Å²	56.3	14%	0.14	30%	0.298	C	S	.	.	H	α-helix	trans	-62.4	-53.2	175	172.2	-99.4	0	0	0	111.3	V64 L425 D429 A432 V433 F436 R478 V479 Q480 T484 S485 F486	V64-F482 HydrophobicContact CG2-CD1 3.98Å; V64-F482 HydrophobicContact CG2-CE1 4.16Å; L425-F482 HydrophobicContact CD2-CE1 3.89Å; L425-F482 HydrophobicContact CD2-CZ 3.82Å; D429-F482 HydrophobicContact CB-CE2 4.33Å; D429-F482 HydrophobicContact CB-CZ 3.94Å; A432-F482 HydrophobicContact CB-CE2 4.31Å; V433-F482 HydrophobicContact CG2-CE1 3.59Å; V433-F482 HydrophobicContact CG2-CZ 3.9Å; F436-F482 HydrophobicContact CE2-CB 3.9Å; F436-F482 AromaticContact CE2-CD1 3.98Å; F436-F482 HydrophobicContact CE2-CD1 3.98Å; F436-F482 HydrophobicContact CE2-CD2 4.25Å; F436-F482 AromaticContact CE2-CG 3.79Å; F436-F482 HydrophobicContact CE2-CG 3.79Å; F436-F482 HydrophobicContact CZ-CB 4.15Å; F436-F482 HydrophobicContact CZ-CG 4.45Å; R478-F482 WeakPolarHBondContact O-CB 3.39Å; R478-F482 PolarHBondContact O-N 3.49Å; V479-F482 PolarHBondContact O-N 3.41Å; Q480-F482 VanDerWaalsContact C-N 3.34Å; F482-T484 PolarHBondContact O-N 3.35Å; F482-S485 WeakPolarHBondContact O-CB 3.46Å; F482-S485 PolarHBondContact O-N 3.2Å; F482-S485 PolarHBondContact O-OG 3.17Å; F482-F486 HydrophobicContact CD1-CE2 4.38Å; F482-F486 HydrophobicContact CD2-CE2 4.16Å; F482-F486 HydrophobicContact CE1-CE2 4.09Å; F482-F486 AromaticContact CE2-CE2 3.85Å; F482-F486 HydrophobicContact CE2-CE2 3.85Å; F482-F486 HydrophobicContact CE2-CZ 4.11Å; F482-F486 HydrophobicContact CG-CE2 4.42Å; F482-F486 AromaticContact CZ-CE2 3.83Å; F482-F486 HydrophobicContact CZ-CE2 3.83Å; F482-F486 HydrophobicContact CZ-CZ 4.17Å; F482-F486 VanDerWaalsContact O-CD2 3.22Å; F482-F486 WeakPolarHBondContact O-CD2 3.34Å; F482-F486 VanDerWaalsContact O-CE2 3.3Å; F482-F486 WeakPolarHBondContact O-CE2 3.44Å
483	S	98.2	Very high	96.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-65.8	-34.9	-176.1	64.1	0	0	0	0	113.4	I61 R62 R423 V479 Q480 S485 F486	I61-S483 CarbonylContact O-C 3.59Å; I61-S483 PolarHBondContact O-OG 2.75Å; R62-S483 WeakPolarHBondContact CA-OG 3.38Å; R62-S483 PolarHBondContact O-OG 3.36Å; R423-S483 PolarHBondContact NH2-O 2.9Å; V479-S483 WeakPolarHBondContact O-CB 3.4Å; V479-S483 PolarHBondContact O-N 3.25Å; V479-S483 PolarHBondContact O-OG 3.49Å; Q480-S483 WeakPolarHBondContact CA-OG 3.38Å; Q480-S483 PolarHBondContact O-OG 2.81Å; Q480-S483 VanDerWaalsContact O-OG 3.11Å; S483-S485 PolarHBondContact O-N 3.03Å; S483-F486 PolarHBondContact O-N 3.35Å
484	T	97.9	Very high	96.1	Very high	69 Å²	69	63.2 Å²	63.2	42%	0.423	33%	0.326	S	S	.	.	H	α-helix	trans	-71	-14.1	178.4	51.2	0	0	0	0	113.9	I61 R62 Q480 Q481 F482 F486	I61-T484 HydrophobicContact CG2-CG2 4.08Å; R62-T484 HydrophobicContact CG-CG2 3.78Å; Q480-T484 VanDerWaalsContact O-CB 3.32Å; Q480-T484 WeakPolarHBondContact O-CB 3.49Å; Q480-T484 WeakPolarHBondContact O-CG2 3.31Å; Q480-T484 PolarHBondContact O-N 2.91Å; Q480-T484 PolarHBondContact O-OG1 3.13Å; Q481-T484 PolarHBondContact O-OG1 2.96Å; F482-T484 PolarHBondContact O-N 3.35Å; T484-F486 PolarHBondContact O-N 3.2Å
485	S	97.8	Very high	96	Very high	83 Å²	83	61.6 Å²	61.6	58%	0.58	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-9	176.1	73.7	0	0	0	0	113.9	F482 S483	F482-S485 WeakPolarHBondContact O-CB 3.46Å; F482-S485 PolarHBondContact O-N 3.2Å; F482-S485 PolarHBondContact O-OG 3.17Å; S483-S485 PolarHBondContact O-N 3.03Å
486	F	98.2	Very high	95.8	Very high	31 Å²	31	64.8 Å²	64.8	14%	0.136	34%	0.337	C	S	.	.	S	Bend	trans	-108.6	145.7	-176.3	-64.3	-82.3	0	0	0	112.6	R423 L425 D429 F482 S483 T484	R423-F486 HydrophobicContact CB-CB 4.22Å; R423-F486 PolarHBondContact NH2-O 3.02Å; R423-F486 WeakPolarHBondContact O-CB 3.19Å; L425-F486 HydrophobicContact CD1-CB 4.13Å; L425-F486 HydrophobicContact CD1-CD1 3.49Å; L425-F486 VanDerWaalsContact CD1-CD1 3.49Å; L425-F486 HydrophobicContact CD1-CD2 3.68Å; L425-F486 HydrophobicContact CD1-CE1 3.71Å; L425-F486 HydrophobicContact CD1-CE2 3.9Å; L425-F486 HydrophobicContact CD1-CG 3.48Å; L425-F486 VanDerWaalsContact CD1-CG 3.48Å; L425-F486 HydrophobicContact CD1-CZ 3.92Å; L425-F486 HydrophobicContact CD2-CE2 4.45Å; L425-F486 HydrophobicContact CD2-CZ 4.46Å; L425-F486 HydrophobicContact CG-CD1 4.08Å; L425-F486 HydrophobicContact CG-CD2 4.34Å; L425-F486 HydrophobicContact CG-CE1 3.75Å; L425-F486 HydrophobicContact CG-CE2 4.03Å; L425-F486 HydrophobicContact CG-CG 4.36Å; L425-F486 HydrophobicContact CG-CZ 3.73Å; D429-F486 HydrophobicContact CB-CZ 4.22Å; F482-F486 HydrophobicContact CD1-CE2 4.38Å; F482-F486 HydrophobicContact CD2-CE2 4.16Å; F482-F486 HydrophobicContact CE1-CE2 4.09Å; F482-F486 AromaticContact CE2-CE2 3.85Å; F482-F486 HydrophobicContact CE2-CE2 3.85Å; F482-F486 HydrophobicContact CE2-CZ 4.11Å; F482-F486 HydrophobicContact CG-CE2 4.42Å; F482-F486 AromaticContact CZ-CE2 3.83Å; F482-F486 HydrophobicContact CZ-CE2 3.83Å; F482-F486 HydrophobicContact CZ-CZ 4.17Å; F482-F486 VanDerWaalsContact O-CD2 3.22Å; F482-F486 WeakPolarHBondContact O-CD2 3.34Å; F482-F486 VanDerWaalsContact O-CE2 3.3Å; F482-F486 WeakPolarHBondContact O-CE2 3.44Å; S483-F486 PolarHBondContact O-N 3.35Å; T484-F486 PolarHBondContact O-N 3.2Å
487	P	97.5	Very high	95.6	Very high	77 Å²	77	63.7 Å²	63.7	50%	0.5	34%	0.338	S	S	.	.			trans	-61	158	177.5	27.8	-36.5	0	0	0	112.2	R423	R423-P487 WeakPolarHBondContact CB-O 3.07Å; R423-P487 WeakPolarHBondContact CG-O 3.39Å; R423-P487 PolarHBondContact NE-O 2.99Å; R423-P487 WeakPolarHBondContact O-CD 3.49Å
488	M	97	Very high	95.5	Very high	33 Å²	33	62.9 Å²	62.9	16%	0.163	33%	0.327	C	S	.	.			trans	-122	111.3	177.9	-177.8	62.8	177.3	0	0	109.8	K57 Q60 I61 F72	K57-M488 HydrophobicContact CD-CE 4.44Å; Q60-M488 HydrophobicContact CB-CE 3.39Å; Q60-M488 HydrophobicContact CB-SD 4.43Å; Q60-M488 HydrophobicContact CG-CE 4.23Å; I61-M488 HydrophobicContact CG1-CB 3.92Å; I61-M488 HydrophobicContact CG1-CG 3.75Å; I61-M488 HydrophobicContact CG1-SD 4.45Å; F72-M488 HydrophobicContact CD1-CE 3.65Å; F72-M488 HydrophobicContact CD1-SD 4.27Å; F72-M488 HydrophobicContact CE1-CE 3.52Å; F72-M488 HydrophobicContact CE1-SD 4.12Å; F72-M488 HydrophobicContact CG-CE 4.42Å; F72-M488 HydrophobicContact CZ-CE 4.17Å; F72-M488 HydrophobicContact CZ-SD 4.22Å
489	P	96.6	Very high	95.3	Very high	39 Å²	39	61.1 Å²	61.1	25%	0.253	33%	0.326	S	S	.	.			trans	-60.6	155.7	176.1	-22.7	33.5	0	0	0	112.9	F72	F72-P489 HydrophobicContact CB-CB 3.96Å; F72-P489 HydrophobicContact CB-CG 3.98Å
490	G	96.1	Very high	95	Very high	18 Å²	18	65.1 Å²	65.1	19%	0.186	35%	0.347	C	S	.	.	S	Bend	trans	110	-150.4	176	0	0	0	0	0	113.1
491	F	94.6	Very high	94.8	Very high	42 Å²	42	66.2 Å²	66.2	18%	0.184	36%	0.355	C	S	.	.			trans	-83.4	155.4	171.7	-60.7	-71.2	0	0	0	110.7	K57 R75 L78 E79 Y494	K57-F491 VanDerWaalsContact CE-O 3.32Å; K57-F491 WeakPolarHBondContact CE-O 3.3Å; K57-F491 PolarHBondContact NZ-O 3.09Å; R75-F491 HydrophobicContact CG-CD1 4.16Å; R75-F491 HydrophobicContact CG-CE1 3.87Å; R75-F491 HydrophobicContact CG-CZ 4.45Å; L78-F491 HydrophobicContact CB-CD2 4.36Å; L78-F491 HydrophobicContact CB-CE2 3.62Å; L78-F491 HydrophobicContact CB-CZ 4.16Å; L78-F491 HydrophobicContact CD1-CD2 4.06Å; L78-F491 HydrophobicContact CD1-CE2 4.15Å; E79-F491 HydrophobicContact CG-CE1 3.93Å; E79-F491 HydrophobicContact CG-CZ 3.71Å; F491-Y494 WeakPolarHBondContact CB-O 3.48Å; F491-Y494 HydrophobicContact CD2-CE2 4.11Å
492	D	90	Very high	94.5	Very high	140 Å²	140	60.7 Å²	60.7	75%	0.749	33%	0.333	S	S	*	.	S	Bend	trans	-73.1	-38.9	-179.8	-63.5	-37.2	0	0	0	111.8
493	D	83.3	Confident	94.1	Very high	95 Å²	95	63.1 Å²	63.1	51%	0.508	35%	0.349	S	S	.	.			trans	-84	-26.5	-171.4	-72.3	-20.4	0	0	0	114.7
494	Y	82.6	Confident	93.8	Very high	130 Å²	130	68.8 Å²	68.8	51%	0.51	38%	0.381	S	S	.	.			trans	-159.5	0	-177.5	50.4	-90.9	0	0	0	113.8	F50 F491	F50-Y494 AromaticContact CE2-CD1 3.95Å; F50-Y494 HydrophobicContact CE2-CD1 3.95Å; F50-Y494 HydrophobicContact CE2-CE1 4.38Å; F491-Y494 WeakPolarHBondContact CB-O 3.48Å; F491-Y494 HydrophobicContact CD2-CE2 4.11Å

Retrieved 494 of 494 residues in 425.8 ms (Link to these results)

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