A0A3Q0KCR2_SCHMA Loading...

acid phosphatase

AlphaFold DB , UniProt , Accession A0A3Q0KCR2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 482 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	31.5	Very low	237 Å²	237	138.1 Å²	138.1	100%	1.167	82%	0.815	S	S	*	*				0	103	0	-92	173.5	162.6	0	0	108.3
2	S	30.1	Very low	31.6	Very low	115 Å²	115	136.9 Å²	136.9	80%	0.804	80%	0.8	S	S	*	*			trans	-73.9	118.5	168.7	39.1	0	0	0	0	109
3	L	32.3	Very low	31.9	Very low	144 Å²	144	139.9 Å²	139.9	75%	0.754	81%	0.81	S	S	*	*			trans	-124.7	98.7	164.6	-82.8	162.7	0	0	0	107.5	F5	L3-F5 HydrophobicContact CD2-CE2 4.05Å
4	V	28.2	Very low	32.4	Very low	132 Å²	132	139.3 Å²	139.3	80%	0.8	80%	0.802	S	S	*	*			trans	-79.1	122.1	165.4	174.2	0	0	0	0	106.3
5	F	35.9	Very low	33	Very low	183 Å²	183	136.6 Å²	136.6	80%	0.803	80%	0.803	S	S	*	*			trans	-126.3	122.4	160.9	-88.2	-74.1	0	0	0	110	L3	L3-F5 HydrophobicContact CD2-CE2 4.05Å
6	S	29.9	Very low	33.6	Very low	94 Å²	94	135.6 Å²	135.6	66%	0.657	80%	0.798	S	S	*	*			trans	-73.9	144.8	178.8	46.3	0	0	0	0	113
7	S	27.6	Very low	34.3	Very low	113 Å²	113	133.9 Å²	133.9	79%	0.79	79%	0.785	S	S	*	*			trans	4.3	117.4	149.8	61.5	0	0	0	0	119.3
8	V	31.4	Very low	35.2	Very low	155 Å²	155	132.3 Å²	132.3	94%	0.939	78%	0.777	S	S	*	*			trans	-148.2	132.5	145.8	-178	0	0	0	0	107.6
9	G	33.2	Very low	36.3	Very low	70 Å²	70	131 Å²	131	72%	0.722	77%	0.766	S	S	*	*			trans	149.1	50.5	163.4	0	0	0	0	0	117.3	H11	G9-H11 PolarHBondContact O-N 3.42Å
10	S	27.6	Very low	37.2	Very low	108 Å²	108	127.6 Å²	127.6	76%	0.755	75%	0.75	S	S	*	*			trans	-74.1	109.9	160.2	52	0	0	0	0	110
11	H	34.8	Very low	38	Very low	168 Å²	168	124.6 Å²	124.6	78%	0.778	74%	0.74	S	S	*	*			trans	-154.2	111.9	155.8	-90	-64.5	0	0	0	112.1	G9	G9-H11 PolarHBondContact O-N 3.42Å
12	I	32.4	Very low	38.9	Very low	124 Å²	124	118.4 Å²	118.4	64%	0.636	71%	0.711	S	S	*	*			trans	56.3	80.1	136.7	-45.9	170.3	0	0	0	115.8	N14	I12-N14 HydrophobicContact CG2-CB 4.42Å
13	L	36.3	Very low	40.5	Very low	176 Å²	176	117 Å²	117	92%	0.921	70%	0.697	S	S	*	*			trans	-89.7	92.3	144.6	-94.9	117.6	0	0	0	107.4	A15	L13-A15 PolarHBondContact O-N 3.42Å
14	N	37.7	Very low	41.9	Very low	131 Å²	131	113.6 Å²	113.6	70%	0.701	69%	0.686	S	S	*	*			trans	-56.9	120.8	167	-87.3	-24.9	0	0	0	108.3	I12 V16	I12-N14 HydrophobicContact CG2-CB 4.42Å; N14-V16 PolarHBondContact O-N 3.42Å
15	A	41.8	Very low	43.2	Very low	99 Å²	99	112.6 Å²	112.6	82%	0.818	68%	0.675	S	S	*	*			trans	-57.9	90.2	168.1	0	0	0	0	0	108.5	L13 N17	L13-A15 PolarHBondContact O-N 3.42Å; A15-N17 PolarHBondContact O-N 2.99Å
16	V	43	Very low	44.2	Very low	120 Å²	120	106.6 Å²	106.6	73%	0.727	66%	0.659	S	S	*	*			trans	-67.5	98.2	165	178.4	0	0	0	0	105.5	N14 V18	N14-V16 PolarHBondContact O-N 3.42Å; V16-V18 PolarHBondContact O-N 3.31Å
17	N	44.6	Very low	45.4	Very low	107 Å²	107	106.4 Å²	106.4	57%	0.572	65%	0.65	S	S	*	*			trans	-34	103.3	179.6	-149.3	-12.8	0	0	0	111.4	A15 N19 S20	A15-N17 PolarHBondContact O-N 2.99Å; N17-N19 PolarHBondContact O-N 2.97Å; N17-S20 PolarHBondContact O-N 3.24Å; N17-S20 PolarHBondContact O-OG 3.24Å
18	V	51.2	Low	46.6	Very low	105 Å²	105	106.4 Å²	106.4	64%	0.636	64%	0.64	S	S	*	*	H	α-helix	trans	-52.3	-22.4	-179.1	176.9	0	0	0	0	112.1	V16 S20 A21 L22	V16-V18 PolarHBondContact O-N 3.31Å; V18-S20 PolarHBondContact O-N 2.97Å; V18-A21 PolarHBondContact O-N 2.92Å; V18-L22 HydrophobicContact CG1-CD1 4.21Å; V18-L22 PolarHBondContact O-N 3.44Å
19	N	55.5	Low	47.5	Very low	108 Å²	108	103.3 Å²	103.3	58%	0.578	62%	0.622	S	S	*	*	H	α-helix	trans	-65.1	-31.4	175.6	-68.7	-18.9	0	0	0	113.9	N17 V23	N17-N19 PolarHBondContact O-N 2.97Å; N19-V23 VanDerWaalsContact O-CG2 3.29Å; N19-V23 WeakPolarHBondContact O-CG2 3.47Å; N19-V23 PolarHBondContact O-N 3.48Å
20	S	54.6	Low	48.3	Very low	63 Å²	63	103.7 Å²	103.7	44%	0.441	62%	0.618	S	S	.	*	H	α-helix	trans	-74.8	-32.9	179	65.1	0	0	0	0	112.5	N17 V18 S24	N17-S20 PolarHBondContact O-N 3.24Å; N17-S20 PolarHBondContact O-OG 3.24Å; V18-S20 PolarHBondContact O-N 2.97Å; S20-S24 WeakPolarHBondContact O-CB 3.45Å; S20-S24 PolarHBondContact O-N 2.95Å; S20-S24 PolarHBondContact O-OG 3.48Å
21	A	54.2	Low	49.1	Very low	65 Å²	65	105 Å²	105	54%	0.537	62%	0.616	S	S	.	*	H	α-helix	trans	-68.2	-39.8	176.3	0	0	0	0	0	111.9	V18 S24 L25	V18-A21 PolarHBondContact O-N 2.92Å; A21-S24 PolarHBondContact O-N 3.45Å; A21-L25 PolarHBondContact O-N 2.86Å; A21-L25 VanDerWaalsContact O-N 3.11Å
22	L	54.5	Low	49.5	Very low	106 Å²	106	102.5 Å²	102.5	56%	0.555	61%	0.607	S	S	*	*	H	α-helix	trans	-68.5	-40	177.5	-76.1	165.1	0	0	0	112.5	V18 S24 L25 A26	V18-L22 HydrophobicContact CG1-CD1 4.21Å; V18-L22 PolarHBondContact O-N 3.44Å; L22-S24 VanDerWaalsContact C-N 3.34Å; L22-L25 PolarHBondContact O-N 2.87Å; L22-A26 PolarHBondContact O-N 3.35Å
23	V	64.4	Low	49.7	Very low	85 Å²	85	102.9 Å²	102.9	52%	0.515	61%	0.611	S	S	.	*	H	α-helix	trans	-66	-38.9	175.6	174.1	0	0	0	0	110.9	N19 L25 A26 I27	N19-V23 VanDerWaalsContact O-CG2 3.29Å; N19-V23 WeakPolarHBondContact O-CG2 3.47Å; N19-V23 PolarHBondContact O-N 3.48Å; V23-L25 VanDerWaalsContact C-N 3.33Å; V23-L25 PolarHBondContact O-N 3.4Å; V23-A26 PolarHBondContact O-N 3.48Å; V23-I27 HydrophobicContact CG1-CD1 3.74Å; V23-I27 HydrophobicContact CG1-CG1 4.4Å; V23-I27 VanDerWaalsContact O-CG1 3.27Å; V23-I27 WeakPolarHBondContact O-CG1 3.18Å; V23-I27 PolarHBondContact O-N 3.27Å
24	S	60.5	Low	50	Low	74 Å²	74	99.6 Å²	99.6	52%	0.517	60%	0.6	S	S	.	*	H	α-helix	trans	-63.8	-38	177.1	-57.1	0	0	0	0	112.2	S20 A21 L22 L28	S20-S24 WeakPolarHBondContact O-CB 3.45Å; S20-S24 PolarHBondContact O-N 2.95Å; S20-S24 PolarHBondContact O-OG 3.48Å; A21-S24 PolarHBondContact O-N 3.45Å; L22-S24 VanDerWaalsContact C-N 3.34Å; S24-L28 WeakPolarHBondContact O-CB 3.3Å; S24-L28 PolarHBondContact O-N 3.03Å
25	L	56.6	Low	50.1	Low	111 Å²	111	98.6 Å²	98.6	58%	0.581	60%	0.602	S	S	*	*	H	α-helix	trans	-72.7	-35.2	177.6	-164.1	69.1	0	0	0	112.6	A21 L22 V23 L28 T29	A21-L25 PolarHBondContact O-N 2.86Å; A21-L25 VanDerWaalsContact O-N 3.11Å; L22-L25 PolarHBondContact O-N 2.87Å; V23-L25 VanDerWaalsContact C-N 3.33Å; V23-L25 PolarHBondContact O-N 3.4Å; L25-L28 PolarHBondContact O-N 2.79Å; L25-T29 PolarHBondContact O-N 3.49Å; L25-T29 PolarHBondContact O-OG1 3.27Å
26	A	56.2	Low	49.9	Very low	56 Å²	56	99.2 Å²	99.2	46%	0.463	60%	0.6	S	S	.	*	H	α-helix	trans	-67.7	-38.3	173.9	0	0	0	0	0	112.1	L22 V23 T29 A30	L22-A26 PolarHBondContact O-N 3.35Å; V23-A26 PolarHBondContact O-N 3.48Å; A26-T29 WeakPolarHBondContact CA-OG1 3.36Å; A26-T29 PolarHBondContact O-N 2.88Å; A26-T29 PolarHBondContact O-OG1 3.25Å; A26-A30 WeakPolarHBondContact O-CB 3.31Å; A26-A30 PolarHBondContact O-N 3Å
27	I	56.1	Low	49.8	Very low	91 Å²	91	99.2 Å²	99.2	47%	0.467	60%	0.6	S	S	.	*	H	α-helix	trans	-69.3	-38	174.9	-65.4	166.9	0	0	0	110.6	V23 T29 A30 L31	V23-I27 HydrophobicContact CG1-CD1 3.74Å; V23-I27 HydrophobicContact CG1-CG1 4.4Å; V23-I27 VanDerWaalsContact O-CG1 3.27Å; V23-I27 WeakPolarHBondContact O-CG1 3.18Å; V23-I27 PolarHBondContact O-N 3.27Å; I27-T29 VanDerWaalsContact C-N 3.34Å; I27-T29 PolarHBondContact O-N 3.48Å; I27-A30 PolarHBondContact O-N 3.24Å; I27-L31 HydrophobicContact CG2-CD1 3.66Å; I27-L31 HydrophobicContact CG2-CG 4.2Å; I27-L31 WeakPolarHBondContact O-CB 3.2Å; I27-L31 WeakPolarHBondContact O-CG 3.42Å; I27-L31 PolarHBondContact O-N 3.43Å
28	L	51.7	Low	49.6	Very low	112 Å²	112	98.1 Å²	98.1	59%	0.586	61%	0.606	S	S	*	*	H	α-helix	trans	-65.3	-37.3	176.7	-141.4	83.2	0	0	0	112.1	S24 L25 I32	S24-L28 WeakPolarHBondContact O-CB 3.3Å; S24-L28 PolarHBondContact O-N 3.03Å; L25-L28 PolarHBondContact O-N 2.79Å; L28-I32 VanDerWaalsContact O-CG1 3.31Å; L28-I32 WeakPolarHBondContact O-CG1 3.49Å; L28-I32 PolarHBondContact O-N 2.84Å; L28-I32 VanDerWaalsContact O-N 3.14Å
29	T	51.7	Low	48.9	Very low	91 Å²	91	97.6 Å²	97.6	56%	0.558	60%	0.6	S	S	*	*	H	α-helix	trans	-73.4	-30.6	175.5	46	0	0	0	0	113	L25 A26 I27	L25-T29 PolarHBondContact O-N 3.49Å; L25-T29 PolarHBondContact O-OG1 3.27Å; A26-T29 WeakPolarHBondContact CA-OG1 3.36Å; A26-T29 PolarHBondContact O-N 2.88Å; A26-T29 PolarHBondContact O-OG1 3.25Å; I27-T29 VanDerWaalsContact C-N 3.34Å; I27-T29 PolarHBondContact O-N 3.48Å
30	A	49.4	Very low	48.3	Very low	78 Å²	78	96.9 Å²	96.9	65%	0.645	60%	0.599	S	S	*	*	H	α-helix	trans	-76.4	-28.3	173.1	0	0	0	0	0	113.6	A26 I27	A26-A30 WeakPolarHBondContact O-CB 3.31Å; A26-A30 PolarHBondContact O-N 3Å; I27-A30 PolarHBondContact O-N 3.24Å
31	L	45.1	Very low	47.4	Very low	134 Å²	134	102.9 Å²	102.9	70%	0.702	61%	0.612	S	S	*	*	H	α-helix	trans	-83.9	-14.7	175.9	-73.2	171.5	0	0	0	113.6	I27 N33	I27-L31 HydrophobicContact CG2-CD1 3.66Å; I27-L31 HydrophobicContact CG2-CG 4.2Å; I27-L31 WeakPolarHBondContact O-CB 3.2Å; I27-L31 WeakPolarHBondContact O-CG 3.42Å; I27-L31 PolarHBondContact O-N 3.43Å; L31-N33 PolarHBondContact O-N 2.74Å
32	I	41.3	Very low	46.8	Very low	117 Å²	117	108.7 Å²	108.7	60%	0.6	63%	0.625	S	S	*	*			trans	-74	69.1	155.7	-55.1	159.6	0	0	0	106.1	L28 P34	L28-I32 VanDerWaalsContact O-CG1 3.31Å; L28-I32 WeakPolarHBondContact O-CG1 3.49Å; L28-I32 PolarHBondContact O-N 2.84Å; L28-I32 VanDerWaalsContact O-N 3.14Å; I32-P34 WeakPolarHBondContact O-CD 3.28Å
33	N	37	Very low	46.4	Very low	132 Å²	132	107.7 Å²	107.7	71%	0.706	62%	0.62	S	S	*	*			trans	-49.2	112.7	155.1	-145.5	-2.1	0	0	0	103.3	L31 C35	L31-N33 PolarHBondContact O-N 2.74Å; N33-C35 PolarHBondContact O-N 3.41Å
34	P	42.5	Very low	45.5	Very low	107 Å²	107	108.1 Å²	108.1	70%	0.695	62%	0.619	S	S	*	*			trans	-62.1	101.1	169.9	25.3	-27.2	0	0	0	102.5	I32 S36	I32-P34 WeakPolarHBondContact O-CD 3.28Å; P34-S36 VanDerWaalsContact C-N 3.29Å; P34-S36 PolarHBondContact O-N 2.82Å
35	C	39.8	Very low	44.9	Very low	109 Å²	109	105.4 Å²	105.4	74%	0.736	60%	0.599	S	S	*	*			trans	-39.8	113.4	160.8	-83.5	0	0	0	0	102.7	N33 V37	N33-C35 PolarHBondContact O-N 3.41Å; C35-V37 PolarHBondContact O-N 3.42Å
36	S	37.6	Very low	45	Very low	112 Å²	112	103.5 Å²	103.5	78%	0.783	60%	0.595	S	S	*	*			trans	-50.6	97.5	176.8	39.9	0	0	0	0	104.3	P34 A38	P34-S36 VanDerWaalsContact C-N 3.29Å; P34-S36 PolarHBondContact O-N 2.82Å; S36-A38 PolarHBondContact O-N 3.21Å
37	V	42.2	Very low	45.5	Very low	121 Å²	121	103 Å²	103	73%	0.733	59%	0.587	S	S	*	*			trans	-63.3	96.8	167.9	174.9	0	0	0	0	99.7	C35 D39	C35-V37 PolarHBondContact O-N 3.42Å; V37-D39 WeakPolarHBondContact O-CA 3.49Å; V37-D39 PolarHBondContact O-N 2.85Å
38	A	40.3	Very low	46.3	Very low	83 Å²	83	105.4 Å²	105.4	69%	0.686	60%	0.6	S	S	*	*			trans	-46.9	112.7	-176.9	0	0	0	0	0	104.7	S36 V40	S36-A38 PolarHBondContact O-N 3.21Å; A38-V40 WeakPolarHBondContact O-CG2 3.36Å; A38-V40 PolarHBondContact O-N 3.48Å
39	D	36.6	Very low	48.1	Very low	95 Å²	95	101.6 Å²	101.6	51%	0.508	58%	0.58	S	S	.	*			trans	-56.5	99.2	-158.2	-161.8	2.4	0	0	0	108.7	V37 R41 K42	V37-D39 WeakPolarHBondContact O-CA 3.49Å; V37-D39 PolarHBondContact O-N 2.85Å; D39-R41 PolarHBondContact O-N 2.81Å; D39-R41 VanDerWaalsContact OD1-CB 3.29Å; D39-R41 WeakPolarHBondContact OD1-CB 3.4Å; D39-R41 WeakPolarHBondContact OD1-CG 3.39Å; D39-K42 PolarHBondContact O-N 3.42Å
40	V	41.3	Very low	50.2	Low	93 Å²	93	97.7 Å²	97.7	56%	0.564	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-60.9	-12.9	179.5	177.5	0	0	0	0	109.7	A38 K42	A38-V40 WeakPolarHBondContact O-CG2 3.36Å; A38-V40 PolarHBondContact O-N 3.48Å; V40-K42 PolarHBondContact O-N 2.82Å
41	R	37.2	Very low	52.4	Low	189 Å²	189	94.7 Å²	94.7	71%	0.713	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-63.5	-15.7	170.9	-66.8	-177.8	169.7	-160.8	-2.1	114.7	D39 N43 I44	D39-R41 PolarHBondContact O-N 2.81Å; D39-R41 VanDerWaalsContact OD1-CB 3.29Å; D39-R41 WeakPolarHBondContact OD1-CB 3.4Å; D39-R41 WeakPolarHBondContact OD1-CG 3.39Å; R41-N43 PolarHBondContact O-N 2.82Å; R41-I44 PolarHBondContact O-N 3.25Å
42	K	41.7	Very low	54.8	Low	186 Å²	186	88.4 Å²	88.4	81%	0.809	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-58	-18.8	-179.6	-82	-170.8	177.4	-178.7	0	114.6	D39 V40	D39-K42 PolarHBondContact O-N 3.42Å; V40-K42 PolarHBondContact O-N 2.82Å
43	N	45.7	Very low	57.5	Low	85 Å²	85	82.8 Å²	82.8	46%	0.455	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-109.8	3.1	178.2	-71.3	-15.9	0	0	0	114.7	R41 P45	R41-N43 PolarHBondContact O-N 2.82Å; N43-P45 WeakPolarHBondContact O-CD 3.31Å
44	I	45.1	Very low	60.5	Low	94 Å²	94	76.5 Å²	76.5	48%	0.482	43%	0.434	S	S	.	.	S	Bend	trans	-92.8	115.7	176.8	-60.4	171.9	0	0	0	108.3	R41 S46	R41-I44 PolarHBondContact O-N 3.25Å; I44-S46 PolarHBondContact O-N 2.81Å
45	P	48.3	Very low	63.2	Low	17 Å²	17	71.4 Å²	71.4	11%	0.11	40%	0.401	C	S	.	.			trans	-61.2	131.7	-178	-23.6	36.4	0	0	0	111.1	N43 T47 E341 Y356	N43-P45 WeakPolarHBondContact O-CD 3.31Å; P45-T47 PolarHBondContact O-N 3.26Å; P45-E341 WeakPolarHBondContact CB-OE2 3.37Å; P45-E341 WeakPolarHBondContact CG-OE1 3.41Å; P45-E341 WeakPolarHBondContact CG-OE2 3.44Å; P45-Y356 HydrophobicContact CG-CE2 4.44Å
46	S	58.6	Low	66	Low	71 Å²	71	66.2 Å²	66.2	50%	0.497	37%	0.366	S	S	.	.			trans	-58.8	127.2	164.3	176	0	0	0	0	108.5	I44 N48	I44-S46 PolarHBondContact O-N 2.81Å; S46-N48 VanDerWaalsContact C-N 3.33Å
47	T	66.1	Low	68.9	Low	47 Å²	47	61 Å²	61	29%	0.288	33%	0.329	S	S	.	.	S	Bend	trans	-86	-4.1	-178.5	53.8	0	0	0	0	113.3	P45 D49 L50 F106	P45-T47 PolarHBondContact O-N 3.26Å; T47-D49 PolarHBondContact O-N 2.83Å; T47-L50 HydrophobicContact CG2-CD2 4.11Å; T47-L50 WeakPolarHBondContact O-CB 3.39Å; T47-L50 PolarHBondContact O-N 3.47Å; T47-L50 VanDerWaalsContact O-N 3.14Å; T47-F106 HydrophobicContact CG2-CB 4.17Å
48	N	74.1	Confident	71.6	Confident	141 Å²	141	55.7 Å²	55.7	75%	0.754	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-27.5	-173.1	-73.2	-6.7	0	0	0	113.7	S46	S46-N48 VanDerWaalsContact C-N 3.33Å
49	D	89.7	Confident	74.3	Confident	31 Å²	31	51.8 Å²	51.8	17%	0.166	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	6.9	178.8	67.9	-10.6	0	0	0	113.2	T47 H343 R344 Y352	T47-D49 PolarHBondContact O-N 2.83Å; D49-H343 CarbonylContact O-C 3.5Å; D49-H343 WeakPolarHBondContact O-CA 3.49Å; D49-H343 WeakPolarHBondContact O-CB 3.38Å; D49-H343 IonicContact OD1-CE1 3.64Å; D49-H343 IonicContact OD1-CG 3.52Å; D49-H343 IonicContact OD1-ND1 2.79Å; D49-H343 PolarHBondContact OD1-ND1 2.8Å; D49-H343 IonicContact OD2-ND1 3.6Å; D49-R344 WeakPolarHBondContact CB-O 3.48Å; D49-R344 PolarHBondContact O-N 2.83Å; D49-Y352 PolarHBondContact OD2-OH 3.3Å
50	L	94.6	Very high	77.3	Confident	10 Å²	10	47.2 Å²	47.2	5%	0.052	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	131.7	-179.1	-177.4	65.9	0	0	0	110.4	T47 V53 Y103 F106 E341	T47-L50 HydrophobicContact CG2-CD2 4.11Å; T47-L50 WeakPolarHBondContact O-CB 3.39Å; T47-L50 PolarHBondContact O-N 3.47Å; T47-L50 VanDerWaalsContact O-N 3.14Å; L50-V53 HydrophobicContact CD1-CG2 4Å; L50-V53 HydrophobicContact CD2-CG2 3.82Å; L50-V53 HydrophobicContact CG-CG2 4.27Å; L50-Y103 HydrophobicContact CD2-CD1 3.84Å; L50-Y103 HydrophobicContact CD2-CE1 4.03Å; L50-F106 HydrophobicContact CB-CD2 4.33Å; L50-F106 HydrophobicContact CB-CE2 4.28Å; L50-F106 HydrophobicContact CD2-CB 4.34Å; L50-F106 HydrophobicContact CD2-CD1 3.62Å; L50-F106 HydrophobicContact CD2-CD2 3.98Å; L50-F106 HydrophobicContact CD2-CE1 3.88Å; L50-F106 HydrophobicContact CD2-CE2 4.23Å; L50-F106 HydrophobicContact CD2-CG 3.69Å; L50-F106 HydrophobicContact CD2-CZ 4.19Å; L50-F106 HydrophobicContact CG-CD1 4.28Å; L50-F106 HydrophobicContact CG-CD2 4.13Å; L50-F106 HydrophobicContact CG-CE1 4.09Å; L50-F106 HydrophobicContact CG-CE2 3.95Å; L50-F106 HydrophobicContact CG-CG 4.32Å; L50-F106 HydrophobicContact CG-CZ 3.93Å; L50-F106 VanDerWaalsContact O-CE2 3.23Å; L50-F106 WeakPolarHBondContact O-CE2 3.15Å; L50-E341 HydrophobicContact CD1-CB 3.75Å; L50-E341 HydrophobicContact CD1-CG 4.11Å
51	L	94.9	Very high	80	Confident	15 Å²	15	43.3 Å²	43.3	8%	0.079	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-33.7	-178	-62.4	-178.8	0	0	0	113.6	R285 E289 L342 R344 F351	L51-R285 HydrophobicContact CB-CG 4.35Å; L51-R285 PolarHBondContact O-NE 3.46Å; L51-R285 PolarHBondContact O-NH2 3.41Å; L51-E289 HydrophobicContact CD1-CG 3.87Å; L51-E289 HydrophobicContact CD2-CG 3.96Å; L51-E289 HydrophobicContact CG-CG 4.45Å; L51-L342 HydrophobicContact CB-CD2 4.19Å; L51-L342 HydrophobicContact CB-CG 4.23Å; L51-L342 HydrophobicContact CD1-CD2 4.42Å; L51-L342 HydrophobicContact CD1-CG 4.43Å; L51-L342 PolarHBondContact N-O 2.88Å; L51-R344 HydrophobicContact CD1-CB 3.69Å; L51-R344 HydrophobicContact CG-CB 4.19Å; L51-F351 HydrophobicContact CD1-CD1 3.78Å; L51-F351 HydrophobicContact CD1-CE1 3.6Å
52	M	97.2	Very high	82.9	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	148.3	-178.3	-178.9	179.1	-167.7	0	0	111.2	L281 F282 R285 R305 R306 V308 L342	M52-L281 HydrophobicContact CE-CB 4.01Å; M52-F282 HydrophobicContact CB-CD1 4.43Å; M52-F282 HydrophobicContact CB-CE1 4.43Å; M52-F282 HydrophobicContact CG-CD1 4.26Å; M52-F282 HydrophobicContact CG-CE1 4.14Å; M52-F282 HydrophobicContact SD-CD1 3.75Å; M52-F282 HydrophobicContact SD-CE1 4.12Å; M52-R285 HydrophobicContact CB-CG 3.98Å; M52-R285 HydrophobicContact SD-CB 3.89Å; M52-R285 HydrophobicContact SD-CG 4.27Å; M52-R305 HydrophobicContact CE-CB 4.21Å; M52-R306 CarbonylContact C-O 3.57Å; M52-R306 VanDerWaalsContact CA-O 3.31Å; M52-R306 WeakPolarHBondContact CA-O 3.42Å; M52-V308 HydrophobicContact CE-CB 4.22Å; M52-V308 HydrophobicContact CE-CG2 3.31Å; M52-L342 HydrophobicContact CB-CB 4.24Å; M52-L342 HydrophobicContact CB-CD2 4.32Å; M52-L342 PolarHBondContact N-O 3.31Å; M52-L342 PolarHBondContact O-N 3.01Å
53	V	98.1	Very high	85.5	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	126.8	173.4	-178.4	0	0	0	0	108.8	L50 I55 Y103 F106 R306 F307 V308 I339 V340 E341	L50-V53 HydrophobicContact CD1-CG2 4Å; L50-V53 HydrophobicContact CD2-CG2 3.82Å; L50-V53 HydrophobicContact CG-CG2 4.27Å; V53-I55 HydrophobicContact CG1-CG2 3.88Å; V53-Y103 HydrophobicContact CG1-CD2 4.42Å; V53-Y103 HydrophobicContact CG1-CE1 4.28Å; V53-Y103 HydrophobicContact CG1-CE2 3.82Å; V53-Y103 HydrophobicContact CG2-CD1 3.77Å; V53-Y103 HydrophobicContact CG2-CE1 3.55Å; V53-Y103 HydrophobicContact CG2-CE2 4.42Å; V53-Y103 HydrophobicContact CG2-CG 4.29Å; V53-F106 HydrophobicContact CG2-CD1 4.25Å; V53-F106 HydrophobicContact CG2-CE1 3.89Å; V53-R306 PolarHBondContact N-O 2.89Å; V53-F307 HydrophobicContact CB-CD2 3.96Å; V53-F307 HydrophobicContact CB-CE2 4.42Å; V53-F307 HydrophobicContact CG1-CD2 4.12Å; V53-F307 HydrophobicContact CG1-CE2 4.06Å; V53-F307 WeakPolarHBondContact O-CA 3.48Å; V53-V308 PolarHBondContact O-N 2.87Å; V53-I339 HydrophobicContact CG1-CG2 4.13Å; V53-V340 WeakPolarHBondContact CA-O 3.42Å; V53-E341 HydrophobicContact CG2-CG 4.39Å
54	F	98.6	Very high	88	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.7	169.1	173.1	-90.2	0	0	0	109	L56 L274 M278 L281 F282 V308 Y310 V340	F54-L56 HydrophobicContact CE1-CB 3.93Å; F54-L56 HydrophobicContact CZ-CB 4.26Å; F54-L274 HydrophobicContact CZ-CD1 4.42Å; F54-M278 HydrophobicContact CD1-CG 3.96Å; F54-M278 HydrophobicContact CD1-SD 3.88Å; F54-M278 HydrophobicContact CE1-CG 4.19Å; F54-M278 HydrophobicContact CE1-SD 4.03Å; F54-M278 HydrophobicContact CG-CG 4.16Å; F54-L281 HydrophobicContact CD2-CD1 3.89Å; F54-L281 HydrophobicContact CE2-CD1 4.1Å; F54-F282 HydrophobicContact CB-CE1 4.14Å; F54-F282 HydrophobicContact CB-CZ 3.7Å; F54-V308 CarbonylContact C-O 3.5Å; F54-V308 WeakPolarHBondContact CA-O 3.09Å; F54-V308 HydrophobicContact CD2-CB 4.09Å; F54-V308 HydrophobicContact CD2-CG1 3.83Å; F54-V308 HydrophobicContact CE2-CG1 4.15Å; F54-Y310 HydrophobicContact CE2-CD1 4.39Å; F54-Y310 AromaticContact CE2-CD2 3.66Å; F54-Y310 HydrophobicContact CE2-CD2 3.66Å; F54-Y310 AromaticContact CE2-CE2 3.9Å; F54-Y310 HydrophobicContact CE2-CE2 3.9Å; F54-Y310 AromaticContact CE2-CG 3.96Å; F54-Y310 HydrophobicContact CE2-CG 3.96Å; F54-Y310 AromaticContact CZ-CD2 3.84Å; F54-Y310 HydrophobicContact CZ-CD2 3.84Å; F54-Y310 HydrophobicContact CZ-CE2 4.42Å; F54-Y310 HydrophobicContact CZ-CG 4.23Å; F54-V340 HydrophobicContact CD1-CG2 4.39Å; F54-V340 PolarHBondContact N-O 3.29Å; F54-V340 PolarHBondContact O-N 2.88Å
55	I	98.7	Very high	90.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	143.1	172.7	73.5	169.3	0	0	0	111.2	V53 I99 F133 F307 V308 A309 Y310 L338 I339	V53-I55 HydrophobicContact CG1-CG2 3.88Å; I55-I99 HydrophobicContact CD1-CG2 4.41Å; I55-F133 HydrophobicContact CD1-CE1 4.44Å; I55-F133 HydrophobicContact CD1-CE2 3.89Å; I55-F133 HydrophobicContact CD1-CZ 3.63Å; I55-F307 HydrophobicContact CD1-CE1 4.46Å; I55-F307 HydrophobicContact CD1-CE2 4.36Å; I55-F307 HydrophobicContact CD1-CZ 3.64Å; I55-F307 HydrophobicContact CG1-CZ 4.06Å; I55-F307 HydrophobicContact CG2-CE2 4.15Å; I55-F307 HydrophobicContact CG2-CZ 4.46Å; I55-V308 PolarHBondContact N-O 2.9Å; I55-A309 HydrophobicContact CD1-CB 3.71Å; I55-A309 VanDerWaalsContact CG1-CA 3.5Å; I55-A309 HydrophobicContact CG1-CB 3.48Å; I55-A309 VanDerWaalsContact CG1-CB 3.48Å; I55-Y310 PolarHBondContact O-N 3.32Å; I55-L338 CarbonylContact C-O 3.54Å; I55-L338 VanDerWaalsContact CA-O 3.24Å; I55-L338 WeakPolarHBondContact CA-O 3.32Å; I55-I339 HydrophobicContact CG2-CB 4.23Å; I55-I339 HydrophobicContact CG2-CG1 3.89Å; I55-I339 HydrophobicContact CG2-CG2 4.09Å
56	L	98.9	Very high	92.7	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	113	171.5	174.7	68.7	0	0	0	108.6	F54 L162 L274 Y310 A312 T316 L317 L320 C337 L338	F54-L56 HydrophobicContact CE1-CB 3.93Å; F54-L56 HydrophobicContact CZ-CB 4.26Å; L56-L162 HydrophobicContact CD1-CD2 4.34Å; L56-L274 HydrophobicContact CD1-CD2 4.48Å; L56-L274 HydrophobicContact CD2-CD2 3.75Å; L56-Y310 CarbonylContact C-O 3.48Å; L56-Y310 WeakPolarHBondContact CA-O 3.28Å; L56-A312 HydrophobicContact CD1-CB 4.15Å; L56-T316 HydrophobicContact CD1-CG2 4.25Å; L56-T316 HydrophobicContact CD2-CG2 4.23Å; L56-L317 HydrophobicContact CB-CD2 4.47Å; L56-L317 HydrophobicContact CD2-CD2 3.91Å; L56-L317 HydrophobicContact CD2-CG 4.28Å; L56-L317 HydrophobicContact CG-CD2 4.04Å; L56-L317 HydrophobicContact CG-CG 4.34Å; L56-L317 WeakPolarHBondContact O-CD2 3.31Å; L56-L320 HydrophobicContact CD2-CB 4.44Å; L56-L320 HydrophobicContact CD2-CD2 3.58Å; L56-C337 WeakPolarHBondContact O-CA 3.34Å; L56-C337 PolarHBondContact O-SG 3.42Å; L56-C337 VanDerWaalsContact O-SG 3.32Å; L56-L338 PolarHBondContact N-O 2.95Å; L56-L338 PolarHBondContact O-N 3.37Å
57	C	98.7	Very high	94.5	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.007	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	143.5	-177.4	-44.2	0	0	0	0	112.3	L95 Y310 F311 A312 S336 C337	C57-L95 HydrophobicContact CB-CD2 4.11Å; C57-Y310 PolarHBondContact N-O 3.04Å; C57-F311 HydrophobicContact CB-CD1 4.28Å; C57-F311 WeakPolarHBondContact O-CA 3.23Å; C57-A312 PolarHBondContact O-N 3.27Å; C57-S336 CarbonylContact C-O 3.51Å; C57-S336 VanDerWaalsContact CA-O 3.26Å; C57-S336 WeakPolarHBondContact CA-O 3.11Å; C57-C337 VanDerWaalsContact CA-SG 3.54Å; C57-C337 HydrophobicContact CB-CB 3.76Å; C57-C337 WeakPolarHBondContact CB-SG 3.42Å; C57-C337 WeakPolarHBondContact SG-CB 3.48Å; C57-C337 CovalentContact SG-SG 2.05Å; C57-C337 PolarHBondContact SG-SG 3.44Å
58	R	98.6	Very high	95.8	Very high	10 Å²	10	19 Å²	19	4%	0.038	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	146.3	165	-172.2	179.2	-178.9	-153.1	-1.6	108.7	H92 D314 L317 P332 P333 L334 A335 S336	R58-H92 PolarHBondContact O-CE1 2.83Å; R58-H92 VanDerWaalsContact O-CE1 3.24Å; R58-H92 PolarHBondContact O-NE2 2.66Å; R58-D314 IonicContact CZ-OD2 2.64Å; R58-D314 IonicContact NE-OD2 3.92Å; R58-D314 PolarHBondContact NE-OD2 2.96Å; R58-D314 IonicContact NH2-OD2 3.22Å; R58-D314 PolarHBondContact NH2-OD2 2.85Å; R58-L317 HydrophobicContact CB-CD1 3.92Å; R58-P332 VanDerWaalsContact CD-O 3.31Å; R58-P332 WeakPolarHBondContact CD-O 3.44Å; R58-P332 VanDerWaalsContact CZ-O 3.3Å; R58-P332 PolarHBondContact NH1-O 3.47Å; R58-P333 WeakPolarHBondContact CD-O 3.44Å; R58-L334 VanDerWaalsContact CZ-CD2 3.49Å; R58-A335 WeakPolarHBondContact O-CA 2.9Å; R58-S336 PolarHBondContact N-O 3.03Å
59	H	98.7	Very high	96.8	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	9%	0.091	C	C	.	.			trans	-53.5	160.7	166.4	62.6	72.1	0	0	0	112.8	R62 H92 R125 T126 S129 A312 H313 A335	H59-R62 VanDerWaalsContact CE1-CD 3.49Å; H59-R62 WeakPolarHBondContact CE1-CD 3.44Å; H59-R62 PolarHBondContact CE1-NE 3.5Å; H59-H92 VanDerWaalsContact CA-NE2 3.34Å; H59-H92 WeakPolarHBondContact CA-NE2 3.32Å; H59-R125 PolarHBondContact CD2-NE 3.38Å; H59-R125 PolarHBondContact NE2-NE 2.89Å; H59-T126 HydrophobicContact CB-CG2 3.98Å; H59-S129 WeakPolarHBondContact CA-OG 3.3Å; H59-S129 WeakPolarHBondContact CB-OG 3.34Å; H59-A312 PolarHBondContact CD2-O 3.07Å; H59-A312 PolarHBondContact N-O 3.18Å; H59-H313 AromaticContact CD2-ND1 3.42Å; H59-H313 PolarHBondContact CD2-ND1 3.06Å; H59-H313 AromaticContact NE2-ND1 3.66Å; H59-A335 PolarHBondContact O-N 2.82Å
60	G	98.2	Very high	97.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.105	C	C	.	.			trans	-72.4	-176.6	175.6	0	0	0	0	0	112.6	H92 S129	G60-H92 PolarHBondContact N-CD2 3.31Å; G60-H92 PolarHBondContact N-NE2 2.85Å; G60-S129 PolarHBondContact N-OG 3.24Å
61	D	97.8	Very high	97.1	Very high	10 Å²	10	18.4 Å²	18.4	5%	0.053	11%	0.105	C	C	.	.			trans	-48.9	142.5	174.3	-176.6	63	0	0	0	113.9	L84 T85 Y87 H232 L334	D61-L84 WeakPolarHBondContact O-CD1 3.46Å; D61-T85 WeakPolarHBondContact CB-OG1 3.34Å; D61-T85 PolarHBondContact O-N 2.91Å; D61-T85 PolarHBondContact O-OG1 3.42Å; D61-T85 WeakPolarHBondContact OD2-CB 3.48Å; D61-T85 WeakPolarHBondContact OD2-CG2 3.16Å; D61-T85 PolarHBondContact OD2-OG1 2.72Å; D61-Y87 HydrophobicContact CB-CD1 3.69Å; D61-Y87 HydrophobicContact CB-CE1 4.41Å; D61-H232 IonicContact OD1-CD2 2.74Å; D61-H232 IonicContact OD1-CE1 3.2Å; D61-H232 IonicContact OD1-NE2 3.49Å; D61-H232 PolarHBondContact OD1-NE2 2.83Å; D61-H232 IonicContact OD2-CE1 2.74Å; D61-H232 PolarHBondContact OD2-CE1 3Å; D61-H232 IonicContact OD2-NE2 2.79Å; D61-H232 PolarHBondContact OD2-NE2 3.42Å; D61-L334 HydrophobicContact CB-CD1 3.98Å; D61-L334 WeakPolarHBondContact OD1-CD1 2.86Å
62	R	97.8	Very high	97	Very high	19 Å²	19	21.4 Å²	21.4	7%	0.072	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-146	158.3	-172.3	59.2	158.7	178.4	82.5	0.4	112.1	H59 Q83 D224	H59-R62 VanDerWaalsContact CE1-CD 3.49Å; H59-R62 WeakPolarHBondContact CE1-CD 3.44Å; H59-R62 PolarHBondContact CE1-NE 3.5Å; R62-Q83 CarbonylContact C-O 3.6Å; R62-Q83 WeakPolarHBondContact CA-O 3.31Å; R62-Q83 WeakPolarHBondContact CB-O 3.2Å; R62-D224 IonicContact CZ-OD1 3.3Å; R62-D224 IonicContact NH1-OD1 3.44Å; R62-D224 PolarHBondContact NH1-OD1 3.35Å; R62-D224 IonicContact NH1-OD2 3.56Å; R62-D224 PolarHBondContact NH1-OD2 2.94Å; R62-D224 IonicContact NH2-OD1 3.56Å; R62-D224 PolarHBondContact NH2-OD1 2.86Å
63	S	97.7	Very high	96.9	Very high	6 Å²	6	22.4 Å²	22.4	4%	0.042	13%	0.129	C	C	.	.			trans	-63.5	161.3	163.3	61.4	0	0	0	0	111.4	G80 Y81 G82 Q83	S63-G80 PolarHBondContact OG-O 3.3Å; S63-Y81 WeakPolarHBondContact OG-CA 3.34Å; S63-G82 PolarHBondContact OG-N 2.98Å; S63-Q83 PolarHBondContact N-O 3.21Å; S63-Q83 PolarHBondContact OG-N 2.75Å; S63-Q83 PolarHBondContact OG-O 2.84Å
64	P	97.7	Very high	96.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.			trans	-56.2	147.7	175.8	-22.8	33.6	0	0	0	112	H66 W77 Y81 G82 D224 P225 I228	P64-H66 WeakPolarHBondContact CB-O 3.29Å; P64-W77 HydrophobicContact CG-CZ2 3.78Å; P64-Y81 HydrophobicContact CB-CD1 3.86Å; P64-Y81 HydrophobicContact CB-CE1 3.92Å; P64-Y81 HydrophobicContact CG-CE1 4.36Å; P64-Y81 CarbonylContact O-C 3.53Å; P64-Y81 WeakPolarHBondContact O-CA 3.28Å; P64-Y81 WeakPolarHBondContact O-CB 3.49Å; P64-Y81 WeakPolarHBondContact O-CD1 3.39Å; P64-G82 PolarHBondContact O-N 3.19Å; P64-D224 WeakPolarHBondContact CA-OD2 3.36Å; P64-P225 HydrophobicContact CB-CB 3.75Å; P64-P225 HydrophobicContact CG-CB 3.92Å; P64-I228 VanDerWaalsContact CA-CD1 3.43Å; P64-I228 HydrophobicContact CB-CD1 3.97Å; P64-I228 HydrophobicContact CG-CB 4.12Å; P64-I228 HydrophobicContact CG-CD1 3.92Å; P64-I228 HydrophobicContact CG-CG2 3.89Å
65	V	96.8	Very high	96.3	Very high	47 Å²	47	40 Å²	40	29%	0.285	20%	0.196	S	C	.	.	S	Bend	trans	-91.9	-10.5	174.3	-70.7	0	0	0	0	112.4	D224	V65-D224 VanDerWaalsContact CG2-OD2 3.28Å; V65-D224 WeakPolarHBondContact CG2-OD2 3.38Å; V65-D224 PolarHBondContact N-OD2 3.36Å
66	H	95.8	Very high	96.1	Very high	53 Å²	53	44 Å²	44	25%	0.245	22%	0.217	C	C	.	.			trans	-130.7	159.2	179.9	-60.4	-50.8	0	0	0	110.3	P64 Y81 R221	P64-H66 WeakPolarHBondContact CB-O 3.29Å; H66-Y81 VanDerWaalsContact O-CD1 3.32Å; H66-Y81 WeakPolarHBondContact O-CD1 3.2Å; H66-Y81 WeakPolarHBondContact O-CE1 3.28Å; H66-R221 HydrophobicContact CB-CB 4.26Å; H66-R221 WeakPolarHBondContact CB-O 3.49Å
67	T	95.4	Very high	95.8	Very high	47 Å²	47	45.4 Å²	45.4	29%	0.288	22%	0.222	S	C	.	.			trans	-137.7	169.6	172.3	-172.8	0	0	0	0	108.3	D71 Y81	T67-D71 WeakPolarHBondContact CB-OD2 3.47Å; T67-D71 VanDerWaalsContact OG1-CB 3.32Å; T67-D71 WeakPolarHBondContact OG1-CB 3.25Å; T67-D71 PolarHBondContact OG1-OD2 3.18Å; T67-Y81 PolarHBondContact OG1-OH 3.39Å
68	F	94.9	Very high	95.5	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.026	26%	0.263	C	S	.	.			trans	-139.2	166.6	174.6	50.5	-102.2	0	0	0	110.4	T70 D71 R74 T202 Y204 I222 P225 V226 W229 W240	F68-T70 VanDerWaalsContact C-N 3.34Å; F68-T70 PolarHBondContact O-N 3.34Å; F68-D71 HydrophobicContact CD2-CB 4.17Å; F68-D71 HydrophobicContact CE2-CB 4.3Å; F68-D71 WeakPolarHBondContact O-CB 3.46Å; F68-D71 PolarHBondContact O-N 3.19Å; F68-D71 VanDerWaalsContact O-N 3.13Å; F68-R74 PolarHBondContact O-NH2 3.4Å; F68-R74 VanDerWaalsContact O-NH2 3.16Å; F68-T202 HydrophobicContact CD1-CG2 4.4Å; F68-T202 HydrophobicContact CD2-CG2 3.93Å; F68-T202 HydrophobicContact CE1-CG2 4.25Å; F68-T202 HydrophobicContact CE2-CG2 3.78Å; F68-T202 HydrophobicContact CG-CG2 4.21Å; F68-T202 HydrophobicContact CZ-CG2 3.91Å; F68-Y204 HydrophobicContact CB-CD2 4.21Å; F68-I222 HydrophobicContact CD1-CB 4.47Å; F68-I222 HydrophobicContact CD1-CG1 4.23Å; F68-I222 HydrophobicContact CD1-CG2 4.36Å; F68-I222 HydrophobicContact CE1-CG2 4.1Å; F68-P225 HydrophobicContact CD1-CG 3.99Å; F68-P225 HydrophobicContact CE1-CB 4.41Å; F68-P225 HydrophobicContact CE1-CG 3.8Å; F68-V226 HydrophobicContact CE1-CG2 4.39Å; F68-W229 AromaticContact CE1-CH2 3.76Å; F68-W229 HydrophobicContact CE1-CH2 3.76Å; F68-W229 HydrophobicContact CE1-CZ2 4.17Å; F68-W229 HydrophobicContact CE1-CZ3 4.44Å; F68-W229 AromaticContact CE2-CH2 3.82Å; F68-W229 HydrophobicContact CE2-CH2 3.82Å; F68-W229 AromaticContact CZ-CH2 3.12Å; F68-W229 HydrophobicContact CZ-CH2 3.12Å; F68-W229 AromaticContact CZ-CZ2 3.95Å; F68-W229 HydrophobicContact CZ-CZ2 3.95Å; F68-W229 AromaticContact CZ-CZ3 3.71Å; F68-W229 HydrophobicContact CZ-CZ3 3.71Å; F68-W240 HydrophobicContact CE2-CZ2 4.31Å; F68-W240 HydrophobicContact CZ-CH2 4.13Å; F68-W240 AromaticContact CZ-CZ2 3.97Å; F68-W240 HydrophobicContact CZ-CZ2 3.97Å
69	P	95	Very high	95.3	Very high	85 Å²	85	61.3 Å²	61.3	55%	0.552	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-45.4	-172.3	-32.6	38.6	0	0	0	114.9	D71 T202	P69-D71 VanDerWaalsContact C-N 3.34Å; P69-D71 PolarHBondContact O-N 3.16Å; P69-T202 WeakPolarHBondContact CD-O 3.46Å
70	T	94.8	Very high	95.1	Very high	74 Å²	74	62.5 Å²	62.5	45%	0.454	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	14.8	-178.1	63.4	0	0	0	0	114.7	F68 P72 T201 T202	F68-T70 VanDerWaalsContact C-N 3.34Å; F68-T70 PolarHBondContact O-N 3.34Å; T70-P72 WeakPolarHBondContact O-CD 3.27Å; T70-P72 VanDerWaalsContact O-N 3.14Å; T70-T201 PolarHBondContact OG1-O 2.97Å; T70-T202 PolarHBondContact N-O 3.2Å; T70-T202 VanDerWaalsContact OG1-CA 3.24Å; T70-T202 WeakPolarHBondContact OG1-CA 3.23Å; T70-T202 PolarHBondContact OG1-O 2.88Å
71	D	94.5	Very high	95	Very high	11 Å²	11	65.3 Å²	65.3	6%	0.059	32%	0.32	C	S	.	.			trans	-61	110	177.9	-179.2	-15.8	0	0	0	111.4	T67 F68 P69 Y73 R74 Y81 W229	T67-D71 WeakPolarHBondContact CB-OD2 3.47Å; T67-D71 VanDerWaalsContact OG1-CB 3.32Å; T67-D71 WeakPolarHBondContact OG1-CB 3.25Å; T67-D71 PolarHBondContact OG1-OD2 3.18Å; F68-D71 HydrophobicContact CD2-CB 4.17Å; F68-D71 HydrophobicContact CE2-CB 4.3Å; F68-D71 WeakPolarHBondContact O-CB 3.46Å; F68-D71 PolarHBondContact O-N 3.19Å; F68-D71 VanDerWaalsContact O-N 3.13Å; P69-D71 VanDerWaalsContact C-N 3.34Å; P69-D71 PolarHBondContact O-N 3.16Å; D71-Y73 VanDerWaalsContact C-N 3.27Å; D71-Y73 PolarHBondContact O-N 3.45Å; D71-Y73 WeakPolarHBondContact OD1-CA 3.49Å; D71-Y73 PolarHBondContact OD1-N 3.13Å; D71-R74 PolarHBondContact OD1-N 2.87Å; D71-Y81 PolarHBondContact OD2-OH 2.78Å; D71-W229 HydrophobicContact CB-CZ2 4.34Å; D71-W229 VanDerWaalsContact OD1-CZ2 3.31Å; D71-W229 WeakPolarHBondContact OD1-CZ2 3.27Å
72	P	93.8	Very high	95	Very high	78 Å²	78	65 Å²	65	51%	0.506	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-10.3	-175.9	33.9	-33.5	0	0	0	112.8	T70 P238	T70-P72 WeakPolarHBondContact O-CD 3.27Å; T70-P72 VanDerWaalsContact O-N 3.14Å; P72-P238 HydrophobicContact CG-CG 4.06Å
73	Y	94.6	Very high	95	Very high	22 Å²	22	65.7 Å²	65.7	9%	0.086	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	10.7	-172.4	-55.6	-67.2	0	0	0	113.3	D71 R75 L76 W77 W229 L234 P235 S236 L237	D71-Y73 VanDerWaalsContact C-N 3.27Å; D71-Y73 PolarHBondContact O-N 3.45Å; D71-Y73 WeakPolarHBondContact OD1-CA 3.49Å; D71-Y73 PolarHBondContact OD1-N 3.13Å; Y73-R75 PolarHBondContact O-N 2.88Å; Y73-R75 VanDerWaalsContact O-N 3.08Å; Y73-L76 HydrophobicContact CD1-CD2 4.28Å; Y73-L76 WeakPolarHBondContact O-CB 3.31Å; Y73-L76 PolarHBondContact O-N 3.08Å; Y73-W77 VanDerWaalsContact O-CD1 3.27Å; Y73-W77 PolarHBondContact O-NE1 3.44Å; Y73-W229 AromaticContact CD2-CD1 3.91Å; Y73-W229 AromaticContact CD2-CD2 3.6Å; Y73-W229 HydrophobicContact CD2-CD2 3.6Å; Y73-W229 AromaticContact CD2-CE2 3.47Å; Y73-W229 VanDerWaalsContact CD2-CE2 3.47Å; Y73-W229 HydrophobicContact CD2-CE3 4.1Å; Y73-W229 AromaticContact CD2-CG 3.88Å; Y73-W229 HydrophobicContact CD2-CG 3.88Å; Y73-W229 HydrophobicContact CD2-CH2 4.24Å; Y73-W229 AromaticContact CD2-CZ2 3.84Å; Y73-W229 HydrophobicContact CD2-CZ2 3.84Å; Y73-W229 HydrophobicContact CD2-CZ3 4.39Å; Y73-W229 AromaticContact CD2-NE1 3.68Å; Y73-W229 HydrophobicContact CE2-CB 4.4Å; Y73-W229 AromaticContact CE2-CD2 3.7Å; Y73-W229 HydrophobicContact CE2-CD2 3.7Å; Y73-W229 AromaticContact CE2-CE3 3.86Å; Y73-W229 HydrophobicContact CE2-CE3 3.86Å; Y73-W229 AromaticContact CE2-CG 3.95Å; Y73-W229 HydrophobicContact CE2-CG 3.95Å; Y73-W229 HydrophobicContact CE2-CZ3 4.29Å; Y73-L234 HydrophobicContact CD1-CD1 4.02Å; Y73-L234 HydrophobicContact CD2-CD1 3.92Å; Y73-L234 HydrophobicContact CE1-CB 4.22Å; Y73-L234 HydrophobicContact CE1-CD1 4.23Å; Y73-L234 HydrophobicContact CE2-CD1 4.12Å; Y73-L234 HydrophobicContact CG-CD1 3.84Å; Y73-P235 WeakPolarHBondContact CE1-O 3.48Å; Y73-P235 PolarHBondContact OH-O 3.28Å; Y73-S236 VanDerWaalsContact OH-C 3.26Å; Y73-S236 PolarHBondContact OH-O 2.94Å; Y73-L237 WeakPolarHBondContact OH-CA 3.34Å; Y73-L237 PolarHBondContact OH-N 3.4Å
74	R	91.6	Very high	95	Very high	130 Å²	130	66 Å²	66	49%	0.491	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-37.6	-178.9	-169.8	178.4	-65.5	155	7.1	114	F68 D71 Y81	F68-R74 PolarHBondContact O-NH2 3.4Å; F68-R74 VanDerWaalsContact O-NH2 3.16Å; D71-R74 PolarHBondContact OD1-N 2.87Å; R74-Y81 VanDerWaalsContact CA-OH 3.31Å; R74-Y81 WeakPolarHBondContact CA-OH 3.35Å; R74-Y81 HydrophobicContact CG-CE2 4.21Å
75	R	92.7	Very high	95	Very high	239 Å²	239	67.5 Å²	67.5	90%	0.902	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-12.1	179.9	-64	-177.9	179.8	172.2	0.2	113.9	Y73	Y73-R75 PolarHBondContact O-N 2.88Å; Y73-R75 VanDerWaalsContact O-N 3.08Å
76	L	93.7	Very high	94.9	Very high	84 Å²	84	69.5 Å²	69.5	44%	0.44	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-35.7	179.9	-175.2	64.8	0	0	0	111.6	Y73 K78 L234	Y73-L76 HydrophobicContact CD1-CD2 4.28Å; Y73-L76 WeakPolarHBondContact O-CB 3.31Å; Y73-L76 PolarHBondContact O-N 3.08Å; L76-K78 PolarHBondContact O-N 3.12Å; L76-L234 HydrophobicContact CD2-CD1 3.84Å; L76-L234 HydrophobicContact CD2-CD2 3.62Å; L76-L234 HydrophobicContact CD2-CG 4.36Å
77	W	93.4	Very high	95	Very high	31 Å²	31	71.1 Å²	71.1	12%	0.117	36%	0.359	C	S	.	.			trans	-81	75.4	-175.5	-49.9	112.5	0	0	0	111.9	P64 Y73 M79 G80 Y81 I228 H232 L234	P64-W77 HydrophobicContact CG-CZ2 3.78Å; Y73-W77 VanDerWaalsContact O-CD1 3.27Å; Y73-W77 PolarHBondContact O-NE1 3.44Å; W77-M79 VanDerWaalsContact C-N 3.32Å; W77-M79 PolarHBondContact O-N 2.8Å; W77-G80 WeakPolarHBondContact O-CA 3.38Å; W77-G80 PolarHBondContact O-N 2.89Å; W77-Y81 HydrophobicContact CB-CD2 4.5Å; W77-Y81 HydrophobicContact CB-CE2 4.42Å; W77-Y81 AromaticContact CD1-CE2 3.7Å; W77-Y81 AromaticContact CD1-CZ 3.52Å; W77-Y81 HydrophobicContact CG-CE2 4.39Å; W77-I228 HydrophobicContact CH2-CG2 3.83Å; W77-I228 HydrophobicContact CZ2-CG2 4.18Å; W77-H232 AromaticContact CH2-ND1 3.55Å; W77-H232 AromaticContact CZ3-ND1 3.77Å; W77-L234 HydrophobicContact CH2-CD1 4.31Å; W77-L234 HydrophobicContact CZ2-CD1 3.99Å
78	K	92.5	Very high	95.1	Very high	196 Å²	196	68.9 Å²	68.9	85%	0.852	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-33.8	-173.3	-63.6	-178.6	-177.8	178.8	0	115.1	L76 G80	L76-K78 PolarHBondContact O-N 3.12Å; K78-G80 PolarHBondContact O-N 3.49Å
79	M	93.3	Very high	95.3	Very high	148 Å²	148	69.6 Å²	69.6	73%	0.729	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-4.4	174	-65.2	-61	-67.7	0	0	112.4	W77 Q83	W77-M79 VanDerWaalsContact C-N 3.32Å; W77-M79 PolarHBondContact O-N 2.8Å; M79-Q83 HydrophobicContact CB-CB 3.95Å; M79-Q83 HydrophobicContact CB-CG 4.07Å; M79-Q83 WeakPolarHBondContact O-CG 3.26Å
80	G	95.4	Very high	95.4	Very high	27 Å²	27	70.8 Å²	70.8	28%	0.278	35%	0.35	S	S	.	.			trans	91.1	176.8	-172.3	0	0	0	0	0	113.5	S63 W77 K78	S63-G80 PolarHBondContact OG-O 3.3Å; W77-G80 WeakPolarHBondContact O-CA 3.38Å; W77-G80 PolarHBondContact O-N 2.89Å; K78-G80 PolarHBondContact O-N 3.49Å
81	Y	96.5	Very high	95.6	Very high	59 Å²	59	67.3 Å²	67.3	23%	0.231	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	144.6	179.7	-79.5	-108.4	0	0	0	110.8	S63 P64 H66 T67 D71 R74 W77 Q83	S63-Y81 WeakPolarHBondContact OG-CA 3.34Å; P64-Y81 HydrophobicContact CB-CD1 3.86Å; P64-Y81 HydrophobicContact CB-CE1 3.92Å; P64-Y81 HydrophobicContact CG-CE1 4.36Å; P64-Y81 CarbonylContact O-C 3.53Å; P64-Y81 WeakPolarHBondContact O-CA 3.28Å; P64-Y81 WeakPolarHBondContact O-CB 3.49Å; P64-Y81 WeakPolarHBondContact O-CD1 3.39Å; H66-Y81 VanDerWaalsContact O-CD1 3.32Å; H66-Y81 WeakPolarHBondContact O-CD1 3.2Å; H66-Y81 WeakPolarHBondContact O-CE1 3.28Å; T67-Y81 PolarHBondContact OG1-OH 3.39Å; D71-Y81 PolarHBondContact OD2-OH 2.78Å; R74-Y81 VanDerWaalsContact CA-OH 3.31Å; R74-Y81 WeakPolarHBondContact CA-OH 3.35Å; R74-Y81 HydrophobicContact CG-CE2 4.21Å; W77-Y81 HydrophobicContact CB-CD2 4.5Å; W77-Y81 HydrophobicContact CB-CE2 4.42Å; W77-Y81 AromaticContact CD1-CE2 3.7Å; W77-Y81 AromaticContact CD1-CZ 3.52Å; W77-Y81 HydrophobicContact CG-CE2 4.39Å; Y81-Q83 VanDerWaalsContact C-N 3.31Å; Y81-Q83 PolarHBondContact O-N 3.34Å
82	G	96.9	Very high	95.8	Very high	4 Å²	4	66.8 Å²	66.8	4%	0.041	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	15	177.4	0	0	0	0	0	115	S63 P64 R125	S63-G82 PolarHBondContact OG-N 2.98Å; P64-G82 PolarHBondContact O-N 3.19Å; G82-R125 VanDerWaalsContact O-CD 3.28Å; G82-R125 WeakPolarHBondContact O-CD 3.24Å; G82-R125 PolarHBondContact O-NH1 3.43Å
83	Q	97.7	Very high	96	Very high	33 Å²	33	64.8 Å²	64.8	15%	0.154	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-96.6	151.2	-178.8	-63.9	-51.5	-31.5	0	0	112.8	R62 S63 M79 Y81 E124	R62-Q83 CarbonylContact C-O 3.6Å; R62-Q83 WeakPolarHBondContact CA-O 3.31Å; R62-Q83 WeakPolarHBondContact CB-O 3.2Å; S63-Q83 PolarHBondContact N-O 3.21Å; S63-Q83 PolarHBondContact OG-N 2.75Å; S63-Q83 PolarHBondContact OG-O 2.84Å; M79-Q83 HydrophobicContact CB-CB 3.95Å; M79-Q83 HydrophobicContact CB-CG 4.07Å; M79-Q83 WeakPolarHBondContact O-CG 3.26Å; Y81-Q83 VanDerWaalsContact C-N 3.31Å; Y81-Q83 PolarHBondContact O-N 3.34Å; Q83-E124 PolarHBondContact NE2-OE2 3.01Å; Q83-E124 PolarHBondContact OE1-OE2 2.71Å
84	L	98.1	Very high	96.1	Very high	13 Å²	13	65.8 Å²	65.8	7%	0.068	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-66.5	135.2	177.3	-165.7	75.6	0	0	0	110.2	D61 A89 R125 M128 S129	D61-L84 WeakPolarHBondContact O-CD1 3.46Å; L84-A89 HydrophobicContact CD2-CB 4.04Å; L84-R125 HydrophobicContact CB-CB 3.96Å; L84-R125 HydrophobicContact CD1-CB 4.46Å; L84-M128 HydrophobicContact CB-CB 4.43Å; L84-M128 HydrophobicContact CB-CE 4.23Å; L84-M128 HydrophobicContact CB-SD 4.22Å; L84-M128 HydrophobicContact CD2-CB 3.63Å; L84-M128 HydrophobicContact CD2-CE 4.48Å; L84-S129 WeakPolarHBondContact CD1-OG 3.5Å
85	T	97	Very high	96.4	Very high	31 Å²	31	59.6 Å²	59.6	19%	0.19	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-85.2	168.3	172.8	66.4	0	0	0	0	111.3	D61 Y87 G88 A89	D61-T85 WeakPolarHBondContact CB-OG1 3.34Å; D61-T85 PolarHBondContact O-N 2.91Å; D61-T85 PolarHBondContact O-OG1 3.42Å; D61-T85 WeakPolarHBondContact OD2-CB 3.48Å; D61-T85 WeakPolarHBondContact OD2-CG2 3.16Å; D61-T85 PolarHBondContact OD2-OG1 2.72Å; T85-Y87 VanDerWaalsContact C-N 3.26Å; T85-Y87 PolarHBondContact O-N 3.29Å; T85-Y87 PolarHBondContact OG1-N 2.62Å; T85-G88 PolarHBondContact O-N 2.91Å; T85-G88 PolarHBondContact OG1-N 3.31Å; T85-A89 PolarHBondContact O-N 2.61Å
86	A	96.5	Very high	96.6	Very high	88 Å²	88	48.2 Å²	48.2	73%	0.727	25%	0.249	S	C	*	.	H	α-helix	trans	-59.5	-39.9	171.3	0	0	0	0	0	111.6	G88 A89 E90	A86-G88 VanDerWaalsContact C-N 3.35Å; A86-G88 PolarHBondContact O-N 2.96Å; A86-A89 WeakPolarHBondContact O-CB 3.24Å; A86-A89 PolarHBondContact O-N 3.33Å; A86-E90 PolarHBondContact O-N 2.9Å
87	Y	96.7	Very high	96.7	Very high	88 Å²	88	48.5 Å²	48.5	35%	0.345	24%	0.244	S	C	.	.	H	α-helix	trans	-62.5	-41.3	174.3	-178	-116	0	0	0	111.8	D61 T85 A89 E90 Q91 T361 L363	D61-Y87 HydrophobicContact CB-CD1 3.69Å; D61-Y87 HydrophobicContact CB-CE1 4.41Å; T85-Y87 VanDerWaalsContact C-N 3.26Å; T85-Y87 PolarHBondContact O-N 3.29Å; T85-Y87 PolarHBondContact OG1-N 2.62Å; Y87-A89 VanDerWaalsContact C-N 3.31Å; Y87-A89 PolarHBondContact O-N 3.44Å; Y87-E90 WeakPolarHBondContact O-CB 3.46Å; Y87-E90 PolarHBondContact O-N 3.06Å; Y87-Q91 HydrophobicContact CD1-CG 4.4Å; Y87-Q91 HydrophobicContact CE1-CG 4.07Å; Y87-Q91 VanDerWaalsContact CE1-NE2 3.33Å; Y87-Q91 HydrophobicContact CE2-CG 4.47Å; Y87-Q91 WeakPolarHBondContact O-CG 3.42Å; Y87-Q91 PolarHBondContact O-N 2.66Å; Y87-T361 PolarHBondContact OH-O 3.47Å; Y87-T361 VanDerWaalsContact OH-O 3.12Å; Y87-L363 HydrophobicContact CD2-CD1 4.31Å; Y87-L363 HydrophobicContact CE2-CD1 3.84Å; Y87-L363 HydrophobicContact CE2-CG 4.1Å
88	G	98	Very high	96.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.8	-33.6	175.5	0	0	0	0	0	113.8	T85 A86 H92	T85-G88 PolarHBondContact O-N 2.91Å; T85-G88 PolarHBondContact OG1-N 3.31Å; A86-G88 VanDerWaalsContact C-N 3.35Å; A86-G88 PolarHBondContact O-N 2.96Å; G88-H92 PolarHBondContact O-N 3.46Å
89	A	98.2	Very high	97.1	Very high	20 Å²	20	38.2 Å²	38.2	17%	0.165	20%	0.201	C	C	.	.	H	α-helix	trans	-65.6	-44.8	171.1	0	0	0	0	0	111.4	L84 T85 A86 Y87 Q91 H92 H93 N132	L84-A89 HydrophobicContact CD2-CB 4.04Å; T85-A89 PolarHBondContact O-N 2.61Å; A86-A89 WeakPolarHBondContact O-CB 3.24Å; A86-A89 PolarHBondContact O-N 3.33Å; Y87-A89 VanDerWaalsContact C-N 3.31Å; Y87-A89 PolarHBondContact O-N 3.44Å; A89-Q91 PolarHBondContact O-N 3.06Å; A89-H92 PolarHBondContact O-N 2.84Å; A89-H93 PolarHBondContact O-N 3.46Å; A89-N132 WeakPolarHBondContact O-CB 3.34Å
90	E	97.9	Very high	97.2	Very high	110 Å²	110	31.7 Å²	31.7	51%	0.514	17%	0.168	S	C	.	.	H	α-helix	trans	-62.5	-41.4	177	-163.3	-175.8	-177.2	0	0	112.1	A86 Y87 H92 H93 E94 L363	A86-E90 PolarHBondContact O-N 2.9Å; Y87-E90 WeakPolarHBondContact O-CB 3.46Å; Y87-E90 PolarHBondContact O-N 3.06Å; E90-H92 VanDerWaalsContact C-N 3.32Å; E90-H92 PolarHBondContact O-N 2.6Å; E90-H93 WeakPolarHBondContact O-CB 3.37Å; E90-H93 PolarHBondContact O-N 2.7Å; E90-E94 PolarHBondContact O-N 3.35Å; E90-L363 HydrophobicContact CB-CD1 3.89Å; E90-L363 HydrophobicContact CG-CD1 3.47Å; E90-L363 VanDerWaalsContact CG-CD1 3.47Å
91	Q	98.2	Very high	97.1	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.009	19%	0.191	C	C	.	.	H	α-helix	trans	-54.2	-47.3	173.8	-76.2	-179.8	-38.7	0	0	112.1	Y87 A89 L95 A335 T361 L363	Y87-Q91 HydrophobicContact CD1-CG 4.4Å; Y87-Q91 HydrophobicContact CE1-CG 4.07Å; Y87-Q91 VanDerWaalsContact CE1-NE2 3.33Å; Y87-Q91 HydrophobicContact CE2-CG 4.47Å; Y87-Q91 WeakPolarHBondContact O-CG 3.42Å; Y87-Q91 PolarHBondContact O-N 2.66Å; A89-Q91 PolarHBondContact O-N 3.06Å; Q91-L95 VanDerWaalsContact O-CB 3.27Å; Q91-L95 WeakPolarHBondContact O-CB 3.44Å; Q91-L95 PolarHBondContact O-N 2.97Å; Q91-A335 HydrophobicContact CB-CB 3.78Å; Q91-A335 HydrophobicContact CG-CB 4.46Å; Q91-T361 PolarHBondContact NE2-O 2.72Å; Q91-L363 HydrophobicContact CG-CG 4.45Å
92	H	98.4	Very high	97	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-71.5	-36.3	178.8	-91.6	-80	0	0	0	113	R58 H59 G60 G88 A89 E90 L95 G96 S129 N132 F133 F311	R58-H92 PolarHBondContact O-CE1 2.83Å; R58-H92 VanDerWaalsContact O-CE1 3.24Å; R58-H92 PolarHBondContact O-NE2 2.66Å; H59-H92 VanDerWaalsContact CA-NE2 3.34Å; H59-H92 WeakPolarHBondContact CA-NE2 3.32Å; G60-H92 PolarHBondContact N-CD2 3.31Å; G60-H92 PolarHBondContact N-NE2 2.85Å; G88-H92 PolarHBondContact O-N 3.46Å; A89-H92 PolarHBondContact O-N 2.84Å; E90-H92 VanDerWaalsContact C-N 3.32Å; E90-H92 PolarHBondContact O-N 2.6Å; H92-L95 PolarHBondContact O-N 2.85Å; H92-G96 PolarHBondContact O-N 3.36Å; H92-S129 WeakPolarHBondContact CB-O 3.46Å; H92-S129 WeakPolarHBondContact CD2-CB 3.2Å; H92-S129 PolarHBondContact CD2-OG 3.02Å; H92-S129 WeakPolarHBondContact NE2-CB 3.13Å; H92-N132 HydrophobicContact CB-CB 3.96Å; H92-F133 HydrophobicContact CB-CB 4.33Å; H92-F133 VanDerWaalsContact O-CA 3.22Å; H92-F133 WeakPolarHBondContact O-CA 3.2Å; H92-F311 AromaticContact CE1-CD1 3.89Å; H92-F311 AromaticContact ND1-CE1 3.98Å
93	H	97.8	Very high	96.9	Very high	35 Å²	35	36.8 Å²	36.8	16%	0.162	18%	0.184	C	C	.	.	H	α-helix	trans	-59.8	-47.8	175	-173.2	-113.9	0	0	0	111.7	A89 E90 G96 R97 N132 G136 E141	A89-H93 PolarHBondContact O-N 3.46Å; E90-H93 WeakPolarHBondContact O-CB 3.37Å; E90-H93 PolarHBondContact O-N 2.7Å; H93-G96 PolarHBondContact O-N 2.99Å; H93-R97 PolarHBondContact CE1-NH2 3.29Å; H93-R97 PolarHBondContact O-N 3.47Å; H93-N132 WeakPolarHBondContact CA-O 3.24Å; H93-G136 VanDerWaalsContact CD2-CA 3.48Å; H93-G136 WeakPolarHBondContact CD2-CA 3.36Å; H93-G136 PolarHBondContact CD2-N 3.01Å; H93-G136 VanDerWaalsContact CD2-N 3.25Å; H93-G136 WeakPolarHBondContact O-CA 3.4Å; H93-E141 IonicContact NE2-OE2 3.19Å
94	E	97.5	Very high	96.6	Very high	44 Å²	44	38.8 Å²	38.8	21%	0.206	20%	0.201	C	C	.	.	H	α-helix	trans	-66.5	-39	175.8	-172.8	65.3	-178.9	0	0	112	E90 G96 R97 V98 L363 L365	E90-E94 PolarHBondContact O-N 3.35Å; E94-G96 VanDerWaalsContact C-N 3.26Å; E94-G96 PolarHBondContact O-N 3.47Å; E94-R97 WeakPolarHBondContact O-CB 3.34Å; E94-R97 PolarHBondContact O-N 3.49Å; E94-R97 VanDerWaalsContact O-N 3.1Å; E94-R97 WeakPolarHBondContact OE2-CD 3.39Å; E94-R97 IonicContact OE2-NH1 3.73Å; E94-V98 WeakPolarHBondContact O-CG2 3.3Å; E94-V98 PolarHBondContact O-N 2.7Å; E94-L363 HydrophobicContact CB-CD2 3.72Å; E94-L363 HydrophobicContact CG-CD2 3.88Å; E94-L365 HydrophobicContact CB-CD1 4.4Å; E94-L365 HydrophobicContact CB-CG 4.42Å; E94-L365 HydrophobicContact CG-CB 4.19Å; E94-L365 HydrophobicContact CG-CD1 4.29Å; E94-L365 HydrophobicContact CG-CG 3.96Å
95	L	97.9	Very high	96.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.9	-41.2	173.8	-177.7	62.2	0	0	0	111.5	C57 Q91 H92 V98 I99 F133 C337 L358 L365	C57-L95 HydrophobicContact CB-CD2 4.11Å; Q91-L95 VanDerWaalsContact O-CB 3.27Å; Q91-L95 WeakPolarHBondContact O-CB 3.44Å; Q91-L95 PolarHBondContact O-N 2.97Å; H92-L95 PolarHBondContact O-N 2.85Å; L95-V98 PolarHBondContact O-N 2.86Å; L95-I99 HydrophobicContact CD1-CG1 4.13Å; L95-I99 HydrophobicContact CG-CG1 4.46Å; L95-I99 WeakPolarHBondContact O-CB 3.32Å; L95-I99 VanDerWaalsContact O-CG1 3.27Å; L95-I99 WeakPolarHBondContact O-CG1 3.1Å; L95-I99 PolarHBondContact O-N 2.76Å; L95-F133 HydrophobicContact CB-CD2 4.22Å; L95-F133 HydrophobicContact CD2-CD2 4.15Å; L95-F133 HydrophobicContact CD2-CE2 4.41Å; L95-F133 HydrophobicContact CG-CD2 3.92Å; L95-F133 HydrophobicContact CG-CE2 3.93Å; L95-C337 HydrophobicContact CD2-CB 4.45Å; L95-L358 HydrophobicContact CD1-CD2 3.48Å; L95-L358 VanDerWaalsContact CD1-CD2 3.48Å; L95-L365 HydrophobicContact CB-CD1 3.83Å; L95-L365 HydrophobicContact CD1-CD1 4.1Å
96	G	97.5	Very high	96	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57	-48.1	172.7	0	0	0	0	0	112.3	H92 H93 E94 I99 R100 F133 F137	H92-G96 PolarHBondContact O-N 3.36Å; H93-G96 PolarHBondContact O-N 2.99Å; E94-G96 VanDerWaalsContact C-N 3.26Å; E94-G96 PolarHBondContact O-N 3.47Å; G96-I99 PolarHBondContact O-N 3.23Å; G96-R100 VanDerWaalsContact O-CB 3.27Å; G96-R100 WeakPolarHBondContact O-CB 3.32Å; G96-R100 PolarHBondContact O-N 3.15Å; G96-F133 WeakPolarHBondContact CA-O 3.1Å; G96-F137 WeakPolarHBondContact O-CA 3.29Å; G96-F137 WeakPolarHBondContact O-CD2 3.34Å
97	R	96.1	Very high	95.8	Very high	89 Å²	89	36.7 Å²	36.7	34%	0.336	19%	0.193	S	C	.	.	H	α-helix	trans	-63.5	-42.7	178.1	-70.8	173.8	171	168	-8.1	112.9	H93 E94 R100 K101 G136 E141	H93-R97 PolarHBondContact CE1-NH2 3.29Å; H93-R97 PolarHBondContact O-N 3.47Å; E94-R97 WeakPolarHBondContact O-CB 3.34Å; E94-R97 PolarHBondContact O-N 3.49Å; E94-R97 VanDerWaalsContact O-N 3.1Å; E94-R97 WeakPolarHBondContact OE2-CD 3.39Å; E94-R97 IonicContact OE2-NH1 3.73Å; R97-R100 PolarHBondContact O-N 3.14Å; R97-K101 WeakPolarHBondContact O-CB 3.26Å; R97-K101 PolarHBondContact O-N 3.01Å; R97-G136 WeakPolarHBondContact CG-O 3.17Å; R97-E141 IonicContact CZ-OE1 2.68Å; R97-E141 IonicContact NE-OE1 3.94Å; R97-E141 IonicContact NH2-OE1 2.86Å; R97-E141 PolarHBondContact NH2-OE1 2.97Å
98	V	95.9	Very high	95.4	Very high	12 Å²	12	34.4 Å²	34.4	7%	0.073	19%	0.189	C	C	.	.	H	α-helix	trans	-61.6	-50.9	177.8	164.6	0	0	0	0	110.9	E94 L95 R100 K101 M102 L358 L365 T367	E94-V98 WeakPolarHBondContact O-CG2 3.3Å; E94-V98 PolarHBondContact O-N 2.7Å; L95-V98 PolarHBondContact O-N 2.86Å; V98-R100 VanDerWaalsContact C-N 3.31Å; V98-R100 PolarHBondContact O-N 2.64Å; V98-K101 WeakPolarHBondContact O-CB 3.09Å; V98-K101 PolarHBondContact O-N 3.29Å; V98-M102 HydrophobicContact CG1-SD 4Å; V98-M102 WeakPolarHBondContact O-CG 3.48Å; V98-M102 PolarHBondContact O-N 3.08Å; V98-L358 HydrophobicContact CG1-CD2 4.48Å; V98-L365 HydrophobicContact CG2-CB 4.01Å; V98-T367 HydrophobicContact CG1-CG2 3.37Å
99	I	96.7	Very high	95.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65	-37.6	179.4	-62.2	-65.1	0	0	0	110.8	I55 L95 G96 K101 M102 Y103 F133 F137 F307 I339	I55-I99 HydrophobicContact CD1-CG2 4.41Å; L95-I99 HydrophobicContact CD1-CG1 4.13Å; L95-I99 HydrophobicContact CG-CG1 4.46Å; L95-I99 WeakPolarHBondContact O-CB 3.32Å; L95-I99 VanDerWaalsContact O-CG1 3.27Å; L95-I99 WeakPolarHBondContact O-CG1 3.1Å; L95-I99 PolarHBondContact O-N 2.76Å; G96-I99 PolarHBondContact O-N 3.23Å; I99-K101 VanDerWaalsContact C-N 3.34Å; I99-K101 PolarHBondContact O-N 3.3Å; I99-M102 HydrophobicContact CD1-SD 4Å; I99-M102 PolarHBondContact O-N 3.18Å; I99-Y103 HydrophobicContact CG2-CD2 3.75Å; I99-Y103 HydrophobicContact CG2-CE2 3.98Å; I99-Y103 VanDerWaalsContact O-CD2 3.29Å; I99-Y103 WeakPolarHBondContact O-CD2 3.15Å; I99-Y103 PolarHBondContact O-N 2.85Å; I99-Y103 VanDerWaalsContact O-N 3.1Å; I99-F133 HydrophobicContact CB-CE2 4.16Å; I99-F133 HydrophobicContact CB-CZ 3.99Å; I99-F133 HydrophobicContact CG1-CE2 3.97Å; I99-F133 HydrophobicContact CG1-CZ 4.24Å; I99-F133 HydrophobicContact CG2-CZ 4.11Å; I99-F137 HydrophobicContact CB-CD2 4.41Å; I99-F137 HydrophobicContact CB-CE2 4.47Å; I99-F137 HydrophobicContact CG2-CD2 4.31Å; I99-F137 HydrophobicContact CG2-CE2 3.95Å; I99-F307 HydrophobicContact CG2-CE2 3.77Å; I99-F307 HydrophobicContact CG2-CZ 3.69Å; I99-I339 HydrophobicContact CD1-CD1 3.58Å; I99-I339 HydrophobicContact CD1-CG1 4.28Å
100	R	95.3	Very high	94.7	Very high	10 Å²	10	44.1 Å²	44.1	4%	0.038	24%	0.237	C	C	.	.	H	α-helix	trans	-58.8	-45	173.1	174	58.3	-178.6	-170.7	7.7	111.9	G96 R97 V98 Y103 S104 V107 P108 E109 F137	G96-R100 VanDerWaalsContact O-CB 3.27Å; G96-R100 WeakPolarHBondContact O-CB 3.32Å; G96-R100 PolarHBondContact O-N 3.15Å; R97-R100 PolarHBondContact O-N 3.14Å; V98-R100 VanDerWaalsContact C-N 3.31Å; V98-R100 PolarHBondContact O-N 2.64Å; R100-Y103 CarbonylContact O-C 3.54Å; R100-Y103 PolarHBondContact O-N 2.82Å; R100-S104 WeakPolarHBondContact O-CA 3.47Å; R100-S104 PolarHBondContact O-N 2.86Å; R100-V107 PolarHBondContact NH1-O 3.46Å; R100-V107 VanDerWaalsContact NH1-O 3.14Å; R100-P108 PolarHBondContact NH1-O 3.46Å; R100-E109 VanDerWaalsContact NH2-CA 3.25Å; R100-E109 IonicContact NH2-OE1 3.55Å; R100-E109 PolarHBondContact NH2-OE1 3.4Å; R100-F137 HydrophobicContact CB-CD2 3.72Å; R100-F137 HydrophobicContact CB-CE2 4.04Å; R100-F137 HydrophobicContact CB-CG 4.34Å; R100-F137 WeakPolarHBondContact CB-O 3.49Å; R100-F137 VanDerWaalsContact CD-O 3.27Å; R100-F137 WeakPolarHBondContact CD-O 3.43Å; R100-F137 VanDerWaalsContact CG-O 3.24Å; R100-F137 WeakPolarHBondContact CG-O 3.38Å
101	K	94.8	Very high	94.5	Very high	173 Å²	173	41.4 Å²	41.4	75%	0.752	22%	0.222	S	C	*	.	H	α-helix	trans	-64.3	-40.8	177.7	-176.2	178	178.4	-178.7	0	111.7	R97 V98 I99 Y103	R97-K101 WeakPolarHBondContact O-CB 3.26Å; R97-K101 PolarHBondContact O-N 3.01Å; V98-K101 WeakPolarHBondContact O-CB 3.09Å; V98-K101 PolarHBondContact O-N 3.29Å; I99-K101 VanDerWaalsContact C-N 3.34Å; I99-K101 PolarHBondContact O-N 3.3Å; K101-Y103 VanDerWaalsContact C-N 3.32Å; K101-Y103 PolarHBondContact O-N 3.47Å
102	M	93.8	Very high	94.2	Very high	23 Å²	23	44.4 Å²	44.4	11%	0.113	24%	0.236	C	C	.	.	H	α-helix	trans	-62.7	-38.2	178.9	-71.5	172.7	61.2	0	0	112.7	V98 I99 I339 T367 I370	V98-M102 HydrophobicContact CG1-SD 4Å; V98-M102 WeakPolarHBondContact O-CG 3.48Å; V98-M102 PolarHBondContact O-N 3.08Å; I99-M102 HydrophobicContact CD1-SD 4Å; I99-M102 PolarHBondContact O-N 3.18Å; M102-I339 HydrophobicContact CE-CD1 4.09Å; M102-T367 HydrophobicContact CG-CG2 4.4Å; M102-T367 HydrophobicContact SD-CG2 4.25Å; M102-I370 HydrophobicContact CE-CD1 3.55Å; M102-I370 HydrophobicContact SD-CD1 3.72Å
103	Y	95.3	Very high	93.9	Very high	2 Å²	2	51 Å²	51	1%	0.008	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	26.3	-176.9	-57.6	-66.7	0	0	0	113.4	L50 V53 I99 R100 K101 G105 F106 V107 F307 I339 E341	L50-Y103 HydrophobicContact CD2-CD1 3.84Å; L50-Y103 HydrophobicContact CD2-CE1 4.03Å; V53-Y103 HydrophobicContact CG1-CD2 4.42Å; V53-Y103 HydrophobicContact CG1-CE1 4.28Å; V53-Y103 HydrophobicContact CG1-CE2 3.82Å; V53-Y103 HydrophobicContact CG2-CD1 3.77Å; V53-Y103 HydrophobicContact CG2-CE1 3.55Å; V53-Y103 HydrophobicContact CG2-CE2 4.42Å; V53-Y103 HydrophobicContact CG2-CG 4.29Å; I99-Y103 HydrophobicContact CG2-CD2 3.75Å; I99-Y103 HydrophobicContact CG2-CE2 3.98Å; I99-Y103 VanDerWaalsContact O-CD2 3.29Å; I99-Y103 WeakPolarHBondContact O-CD2 3.15Å; I99-Y103 PolarHBondContact O-N 2.85Å; I99-Y103 VanDerWaalsContact O-N 3.1Å; R100-Y103 CarbonylContact O-C 3.54Å; R100-Y103 PolarHBondContact O-N 2.82Å; K101-Y103 VanDerWaalsContact C-N 3.32Å; K101-Y103 PolarHBondContact O-N 3.47Å; Y103-G105 PolarHBondContact O-N 3.31Å; Y103-F106 PolarHBondContact O-N 3.23Å; Y103-F106 VanDerWaalsContact O-N 3.1Å; Y103-V107 PolarHBondContact O-N 3.36Å; Y103-F307 HydrophobicContact CD2-CE2 4.5Å; Y103-I339 WeakPolarHBondContact OH-CG2 3.44Å; Y103-E341 HydrophobicContact CE1-CG 4.41Å; Y103-E341 WeakPolarHBondContact CE1-OE1 3.33Å; Y103-E341 VanDerWaalsContact CZ-OE1 3.24Å; Y103-E341 PolarHBondContact OH-OE1 3.24Å
104	S	91	Very high	93.6	Very high	75 Å²	75	52.2 Å²	52.2	52%	0.524	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-56.9	129.3	175.3	178	0	0	0	0	110.3	R100 F106	R100-S104 WeakPolarHBondContact O-CA 3.47Å; R100-S104 PolarHBondContact O-N 2.86Å; S104-F106 PolarHBondContact O-N 2.96Å
105	G	88.8	Confident	93.4	Very high	72 Å²	72	50.8 Å²	50.8	74%	0.742	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	-19.5	-178	0	0	0	0	0	115	Y103	Y103-G105 PolarHBondContact O-N 3.31Å
106	F	93.3	Very high	93.2	Very high	14 Å²	14	50.9 Å²	50.9	6%	0.061	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-46.4	172	175.4	-108	0	0	0	111.8	T47 L50 V53 Y103 S104 R306	T47-F106 HydrophobicContact CG2-CB 4.17Å; L50-F106 HydrophobicContact CB-CD2 4.33Å; L50-F106 HydrophobicContact CB-CE2 4.28Å; L50-F106 HydrophobicContact CD2-CB 4.34Å; L50-F106 HydrophobicContact CD2-CD1 3.62Å; L50-F106 HydrophobicContact CD2-CD2 3.98Å; L50-F106 HydrophobicContact CD2-CE1 3.88Å; L50-F106 HydrophobicContact CD2-CE2 4.23Å; L50-F106 HydrophobicContact CD2-CG 3.69Å; L50-F106 HydrophobicContact CD2-CZ 4.19Å; L50-F106 HydrophobicContact CG-CD1 4.28Å; L50-F106 HydrophobicContact CG-CD2 4.13Å; L50-F106 HydrophobicContact CG-CE1 4.09Å; L50-F106 HydrophobicContact CG-CE2 3.95Å; L50-F106 HydrophobicContact CG-CG 4.32Å; L50-F106 HydrophobicContact CG-CZ 3.93Å; L50-F106 VanDerWaalsContact O-CE2 3.23Å; L50-F106 WeakPolarHBondContact O-CE2 3.15Å; V53-F106 HydrophobicContact CG2-CD1 4.25Å; V53-F106 HydrophobicContact CG2-CE1 3.89Å; Y103-F106 PolarHBondContact O-N 3.23Å; Y103-F106 VanDerWaalsContact O-N 3.1Å; S104-F106 PolarHBondContact O-N 2.96Å; F106-R306 HydrophobicContact CE1-CB 3.83Å; F106-R306 WeakPolarHBondContact CE1-O 3.26Å; F106-R306 HydrophobicContact CZ-CB 3.79Å; F106-R306 HydrophobicContact CZ-CG 4.25Å; F106-R306 VanDerWaalsContact O-CD 3.27Å; F106-R306 WeakPolarHBondContact O-CD 3.47Å; F106-R306 PolarHBondContact O-NH1 3.36Å
107	V	92.1	Very high	93.2	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.012	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-94.5	129.9	174.8	-172.5	0	0	0	0	109.6	R100 Y103 F137 F307	R100-V107 PolarHBondContact NH1-O 3.46Å; R100-V107 VanDerWaalsContact NH1-O 3.14Å; Y103-V107 PolarHBondContact O-N 3.36Å; V107-F137 HydrophobicContact CB-CZ 4.2Å; V107-F137 HydrophobicContact CG1-CE1 4Å; V107-F137 HydrophobicContact CG1-CZ 3.88Å; V107-F137 HydrophobicContact CG2-CZ 4.33Å; V107-F307 HydrophobicContact CG1-CB 4.21Å; V107-F307 HydrophobicContact CG2-CB 3.85Å; V107-F307 HydrophobicContact CG2-CD2 4.14Å; V107-F307 HydrophobicContact CG2-CG 4.13Å
108	P	89.5	Confident	93.3	Very high	40 Å²	40	48.1 Å²	48.1	26%	0.26	26%	0.258	S	S	.	.			trans	-56.2	153.3	-179.8	-26.3	33.6	0	0	0	113.7	R100 V110 E115	R100-P108 PolarHBondContact NH1-O 3.46Å; P108-V110 VanDerWaalsContact C-N 3.28Å; P108-V110 WeakPolarHBondContact CB-O 3.18Å; P108-E115 WeakPolarHBondContact CD-OE2 3.21Å; P108-E115 WeakPolarHBondContact CG-OE2 3.31Å
109	E	90.7	Very high	93.5	Very high	140 Å²	140	49.6 Å²	49.6	65%	0.654	26%	0.262	S	S	*	.	S	Bend	trans	-69.2	-29.8	174.9	-48	-131.5	114.4	0	0	112.8	R100 Y138 N146	R100-E109 VanDerWaalsContact NH2-CA 3.25Å; R100-E109 IonicContact NH2-OE1 3.55Å; R100-E109 PolarHBondContact NH2-OE1 3.4Å; E109-Y138 WeakPolarHBondContact O-CD1 3.35Å; E109-N146 PolarHBondContact O-ND2 2.94Å
110	V	90.9	Very high	93.6	Very high	84 Å²	84	49.6 Å²	49.6	51%	0.509	26%	0.262	S	S	.	.	S	Bend	trans	-102.9	134.3	178.8	177.5	0	0	0	0	109.1	P108 H112 N146	P108-V110 VanDerWaalsContact C-N 3.28Å; P108-V110 WeakPolarHBondContact CB-O 3.18Å; V110-H112 PolarHBondContact O-N 3.5Å; V110-N146 VanDerWaalsContact CA-OD1 3.23Å; V110-N146 WeakPolarHBondContact CA-OD1 3.42Å; V110-N146 WeakPolarHBondContact CB-OD1 3.42Å; V110-N146 WeakPolarHBondContact CG1-OD1 3.2Å; V110-N146 WeakPolarHBondContact CG2-OD1 3.39Å
111	Y	92.6	Very high	93.7	Very high	52 Å²	52	49.1 Å²	49.1	20%	0.204	26%	0.261	C	S	.	.			trans	-61.4	130.1	175.8	168.7	-104	0	0	0	111.1	K113 T116 F118 Y138 P149	Y111-K113 HydrophobicContact CE1-CB 4.43Å; Y111-K113 WeakPolarHBondContact OH-CA 3.49Å; Y111-T116 HydrophobicContact CD2-CG2 4.35Å; Y111-T116 HydrophobicContact CE2-CG2 4.38Å; Y111-T116 WeakPolarHBondContact CE2-O 3.47Å; Y111-F118 HydrophobicContact CD2-CE2 4.33Å; Y111-F118 HydrophobicContact CE2-CE2 4.41Å; Y111-Y138 HydrophobicContact CD2-CE2 4.42Å; Y111-P149 HydrophobicContact CD1-CB 4.31Å; Y111-P149 HydrophobicContact CD1-CG 4.37Å; Y111-P149 HydrophobicContact CD2-CB 3.72Å; Y111-P149 HydrophobicContact CD2-CG 3.73Å; Y111-P149 HydrophobicContact CE1-CB 4.44Å; Y111-P149 HydrophobicContact CE2-CB 3.88Å; Y111-P149 HydrophobicContact CE2-CG 4.4Å; Y111-P149 HydrophobicContact CG-CB 3.95Å; Y111-P149 HydrophobicContact CG-CG 3.71Å
112	H	91.9	Very high	93.8	Very high	65 Å²	65	42.3 Å²	42.3	30%	0.301	24%	0.239	S	C	.	.			trans	-126.6	131.2	169.5	-167.1	-84.9	0	0	0	110.1	V110 D114 E115 T116 L303	V110-H112 PolarHBondContact O-N 3.5Å; H112-D114 IonicContact CE1-OD2 2.97Å; H112-D114 PolarHBondContact CE1-OD2 3.16Å; H112-D114 VanDerWaalsContact CE1-OD2 3.22Å; H112-D114 PolarHBondContact ND1-N 3.35Å; H112-D114 IonicContact ND1-OD2 3.13Å; H112-D114 PolarHBondContact O-N 2.94Å; H112-E115 HydrophobicContact CB-CB 4.23Å; H112-E115 HydrophobicContact CB-CG 4.19Å; H112-E115 PolarHBondContact O-N 2.76Å; H112-T116 PolarHBondContact O-N 3.05Å; H112-T116 VanDerWaalsContact O-N 3.07Å; H112-L303 WeakPolarHBondContact CE1-CD1 3.49Å; H112-L303 WeakPolarHBondContact NE2-CD1 3.22Å
113	K	92.2	Very high	93.9	Very high	138 Å²	138	42.1 Å²	42.1	60%	0.6	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-31.7	-172	69.6	174.5	179.9	67.7	0	114.2	Y111	Y111-K113 HydrophobicContact CE1-CB 4.43Å; Y111-K113 WeakPolarHBondContact OH-CA 3.49Å
114	D	91.7	Very high	94	Very high	62 Å²	62	47.8 Å²	47.8	33%	0.332	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-12	-177.1	-57.9	-45.5	0	0	0	112.2	H112 L303 H304 R305	H112-D114 IonicContact CE1-OD2 2.97Å; H112-D114 PolarHBondContact CE1-OD2 3.16Å; H112-D114 VanDerWaalsContact CE1-OD2 3.22Å; H112-D114 PolarHBondContact ND1-N 3.35Å; H112-D114 IonicContact ND1-OD2 3.13Å; H112-D114 PolarHBondContact O-N 2.94Å; D114-L303 HydrophobicContact CB-CB 3.63Å; D114-L303 WeakPolarHBondContact CB-O 3.14Å; D114-H304 CarbonylContact O-C 3.53Å; D114-R305 WeakPolarHBondContact O-CA 3.39Å; D114-R305 WeakPolarHBondContact O-CG 3.47Å; D114-R305 PolarHBondContact O-N 2.81Å
115	E	92.8	Very high	94.4	Very high	14 Å²	14	45.8 Å²	45.8	7%	0.065	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-29.8	178.7	-65.6	-149.9	-167.8	0	0	113.7	P108 H112 L303 H304 R306 F307	P108-E115 WeakPolarHBondContact CD-OE2 3.21Å; P108-E115 WeakPolarHBondContact CG-OE2 3.31Å; H112-E115 HydrophobicContact CB-CB 4.23Å; H112-E115 HydrophobicContact CB-CG 4.19Å; H112-E115 PolarHBondContact O-N 2.76Å; E115-L303 HydrophobicContact CG-CB 4.15Å; E115-L303 HydrophobicContact CG-CD2 4.04Å; E115-L303 WeakPolarHBondContact OE1-CD2 3.27Å; E115-H304 WeakPolarHBondContact CA-O 2.98Å; E115-R306 PolarHBondContact O-N 3.34Å; E115-R306 IonicContact OE1-NE 3.6Å; E115-R306 IonicContact OE1-NH2 3.51Å; E115-R306 WeakPolarHBondContact OE2-CD 3.35Å; E115-R306 IonicContact OE2-CZ 3.04Å; E115-R306 IonicContact OE2-NE 3.04Å; E115-R306 PolarHBondContact OE2-NE 3.37Å; E115-F307 PolarHBondContact O-N 3.43Å
116	T	95.4	Very high	94.8	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.3	-173.3	-59.2	0	0	0	0	112.2	Y111 H112 F118 Y138 F307	Y111-T116 HydrophobicContact CD2-CG2 4.35Å; Y111-T116 HydrophobicContact CE2-CG2 4.38Å; Y111-T116 WeakPolarHBondContact CE2-O 3.47Å; H112-T116 PolarHBondContact O-N 3.05Å; H112-T116 VanDerWaalsContact O-N 3.07Å; T116-F118 HydrophobicContact CG2-CD2 4.01Å; T116-F118 HydrophobicContact CG2-CE1 4.22Å; T116-F118 HydrophobicContact CG2-CE2 3.27Å; T116-F118 HydrophobicContact CG2-CZ 3.38Å; T116-Y138 WeakPolarHBondContact CG2-OH 3.12Å; T116-Y138 PolarHBondContact OG1-OH 3.32Å; T116-F307 VanDerWaalsContact CA-O 3.3Å; T116-F307 WeakPolarHBondContact CA-O 3.21Å; T116-F307 HydrophobicContact CG2-CB 4.45Å; T116-F307 HydrophobicContact CG2-CD1 3.92Å
117	L	97.1	Very high	95.1	Very high	31 Å²	31	44.1 Å²	44.1	16%	0.162	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.4	175.6	175.5	64.3	0	0	0	111.5	F152 F307 V308 A309 Y310	L117-F152 HydrophobicContact CD1-CD2 3.62Å; L117-F152 HydrophobicContact CD1-CE2 3.95Å; L117-F307 PolarHBondContact N-O 2.81Å; L117-V308 HydrophobicContact CB-CG1 4.46Å; L117-V308 HydrophobicContact CB-CG2 4.26Å; L117-V308 HydrophobicContact CD2-CG1 4.25Å; L117-V308 WeakPolarHBondContact O-CA 3.46Å; L117-A309 PolarHBondContact O-N 3.21Å; L117-Y310 HydrophobicContact CD2-CE1 4.2Å
118	F	98.5	Very high	95.4	Very high	1 Å²	1	47.6 Å²	47.6	0%	0.004	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124.3	169.6	-57.9	-78.9	0	0	0	110.4	Y111 T116 F133 I134 F137 Y138 P149 V151 F152 F307 A309 F311	Y111-F118 HydrophobicContact CD2-CE2 4.33Å; Y111-F118 HydrophobicContact CE2-CE2 4.41Å; T116-F118 HydrophobicContact CG2-CD2 4.01Å; T116-F118 HydrophobicContact CG2-CE1 4.22Å; T116-F118 HydrophobicContact CG2-CE2 3.27Å; T116-F118 HydrophobicContact CG2-CZ 3.38Å; F118-F133 HydrophobicContact CE1-CD1 4.16Å; F118-F133 AromaticContact CE1-CE1 3.97Å; F118-F133 HydrophobicContact CE1-CE1 3.97Å; F118-I134 HydrophobicContact CB-CD1 4.04Å; F118-I134 HydrophobicContact CD1-CD1 4.03Å; F118-I134 HydrophobicContact CD1-CG1 3.77Å; F118-I134 HydrophobicContact CD2-CD1 3.85Å; F118-I134 HydrophobicContact CD2-CG1 3.98Å; F118-I134 HydrophobicContact CE1-CD1 4.5Å; F118-I134 HydrophobicContact CE1-CG1 3.78Å; F118-I134 HydrophobicContact CE2-CD1 4.32Å; F118-I134 HydrophobicContact CE2-CG1 3.97Å; F118-I134 HydrophobicContact CG-CD1 3.7Å; F118-I134 HydrophobicContact CG-CG1 3.89Å; F118-I134 HydrophobicContact CZ-CG1 3.89Å; F118-F137 HydrophobicContact CZ-CD1 4.27Å; F118-Y138 AromaticContact CE2-CE2 3.77Å; F118-Y138 HydrophobicContact CE2-CE2 3.77Å; F118-Y138 AromaticContact CZ-CE2 3.66Å; F118-Y138 HydrophobicContact CZ-CE2 3.66Å; F118-P149 HydrophobicContact CD2-CB 3.7Å; F118-P149 HydrophobicContact CD2-CG 4.44Å; F118-P149 HydrophobicContact CE2-CB 3.64Å; F118-P149 HydrophobicContact CE2-CG 3.9Å; F118-V151 HydrophobicContact CB-CG2 4.25Å; F118-F152 PolarHBondContact O-N 2.83Å; F118-F307 HydrophobicContact CE1-CD1 4.44Å; F118-F307 HydrophobicContact CE1-CE1 4.04Å; F118-A309 WeakPolarHBondContact CA-O 3.24Å; F118-A309 HydrophobicContact CD1-CB 3.72Å; F118-A309 HydrophobicContact CE1-CB 3.94Å; F118-F311 HydrophobicContact CD1-CE2 4.08Å; F118-F311 HydrophobicContact CD1-CZ 4.47Å
119	R	98.3	Very high	95.8	Very high	43 Å²	43	45.7 Å²	45.7	16%	0.162	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140.8	174.5	-174.1	-177.7	168.9	166.6	-5.5	110.1	F152 D159 L161 L162 A309 Y310 F311	R119-F152 CarbonylContact C-O 3.48Å; R119-F152 VanDerWaalsContact CA-O 3.27Å; R119-F152 WeakPolarHBondContact CA-O 3.21Å; R119-F152 WeakPolarHBondContact CG-O 3.29Å; R119-D159 IonicContact NH2-OD1 3.48Å; R119-L161 VanDerWaalsContact CZ-CD2 3.47Å; R119-L161 VanDerWaalsContact NH1-CD2 3.26Å; R119-L162 HydrophobicContact CG-CD1 3.9Å; R119-A309 PolarHBondContact N-O 3.16Å; R119-Y310 HydrophobicContact CB-CD1 3.55Å; R119-Y310 HydrophobicContact CB-CE1 3.45Å; R119-Y310 VanDerWaalsContact CB-CE1 3.45Å; R119-Y310 HydrophobicContact CB-CG 4.3Å; R119-Y310 HydrophobicContact CG-CE1 4.37Å; R119-Y310 CarbonylContact O-C 3.54Å; R119-Y310 WeakPolarHBondContact O-CA 3.48Å; R119-F311 WeakPolarHBondContact O-CD2 3.33Å; R119-F311 PolarHBondContact O-N 3.34Å
120	S	98.7	Very high	96.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	154.5	176.1	-168	0	0	0	0	110.3	T126 L127 F152 S153 F311	S120-T126 WeakPolarHBondContact OG-CB 3.48Å; S120-T126 PolarHBondContact OG-O 2.82Å; S120-T126 PolarHBondContact OG-OG1 3.33Å; S120-T126 VanDerWaalsContact OG-OG1 3.13Å; S120-L127 PolarHBondContact OG-N 3.23Å; S120-F152 PolarHBondContact N-O 3.21Å; S120-S153 WeakPolarHBondContact O-CA 3.41Å; S120-S153 WeakPolarHBondContact O-CB 3.21Å; S120-S153 PolarHBondContact O-OG 2.95Å; S120-F311 CarbonylContact C-O 3.51Å; S120-F311 WeakPolarHBondContact CA-O 3.47Å; S120-F311 PolarHBondContact OG-O 2.96Å
121	S	98	Very high	96.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.			trans	-60.4	152.8	163.1	89	0	0	0	0	109.7	T123 T126 S153 F311 H313	S121-T123 PolarHBondContact O-N 2.8Å; S121-T123 PolarHBondContact OG-OG1 2.73Å; S121-T126 PolarHBondContact O-OG1 3.32Å; S121-T126 PolarHBondContact OG-OG1 3.35Å; S121-S153 PolarHBondContact O-OG 2.98Å; S121-F311 PolarHBondContact N-O 3.45Å; S121-H313 PolarHBondContact OG-NE2 3.02Å
122	G	96.8	Very high	96.8	Very high	29 Å²	29	37.3 Å²	37.3	30%	0.299	19%	0.186	S	C	.	.	S	Bend	trans	-72.5	27.7	-179.2	0	0	0	0	0	115.1	S153 R154	G122-S153 WeakPolarHBondContact CA-OG 3.43Å; G122-S153 PolarHBondContact N-OG 3.47Å; G122-R154 WeakPolarHBondContact CA-O 3.46Å; G122-R154 PolarHBondContact N-O 3.2Å
123	T	96.8	Very high	97.1	Very high	20 Å²	20	34.2 Å²	34.2	12%	0.123	17%	0.172	C	C	.	.			trans	-97.2	132.9	178	-46.7	0	0	0	0	109.3	S121 R125 T126 L127 K163 H313	S121-T123 PolarHBondContact O-N 2.8Å; S121-T123 PolarHBondContact OG-OG1 2.73Å; T123-R125 HydrophobicContact CG2-CG 3.97Å; T123-R125 VanDerWaalsContact CG2-NH1 3.33Å; T123-R125 PolarHBondContact O-N 3.3Å; T123-T126 PolarHBondContact O-N 3.27Å; T123-T126 PolarHBondContact O-OG1 3.38Å; T123-L127 PolarHBondContact O-N 3.4Å; T123-K163 PolarHBondContact OG1-NZ 3.06Å; T123-H313 PolarHBondContact OG1-CE1 3.47Å; T123-H313 PolarHBondContact OG1-NE2 2.89Å
124	E	97.5	Very high	97.4	Very high	121 Å²	121	27.6 Å²	27.6	57%	0.565	14%	0.143	S	C	*	.	H	α-helix	trans	-49.4	-52.2	-175.7	-65.6	172.3	144.1	0	0	112.9	Q83 T126 L127 M128	Q83-E124 PolarHBondContact NE2-OE2 3.01Å; Q83-E124 PolarHBondContact OE1-OE2 2.71Å; E124-T126 VanDerWaalsContact C-N 3.27Å; E124-T126 PolarHBondContact O-N 3.32Å; E124-L127 PolarHBondContact O-N 3.15Å; E124-L127 VanDerWaalsContact O-N 3.12Å; E124-M128 VanDerWaalsContact O-CG 3.32Å; E124-M128 WeakPolarHBondContact O-CG 3.38Å; E124-M128 PolarHBondContact O-N 3.03Å
125	R	98.1	Very high	97.6	Very high	32 Å²	32	30.8 Å²	30.8	12%	0.121	15%	0.151	C	C	.	.	H	α-helix	trans	-58.7	-31.3	177.7	64.5	174.4	172.8	-74.1	-2.4	114.7	H59 G82 L84 T123 S129	H59-R125 PolarHBondContact CD2-NE 3.38Å; H59-R125 PolarHBondContact NE2-NE 2.89Å; G82-R125 VanDerWaalsContact O-CD 3.28Å; G82-R125 WeakPolarHBondContact O-CD 3.24Å; G82-R125 PolarHBondContact O-NH1 3.43Å; L84-R125 HydrophobicContact CB-CB 3.96Å; L84-R125 HydrophobicContact CD1-CB 4.46Å; T123-R125 HydrophobicContact CG2-CG 3.97Å; T123-R125 VanDerWaalsContact CG2-NH1 3.33Å; T123-R125 PolarHBondContact O-N 3.3Å; R125-S129 VanDerWaalsContact O-CB 3.28Å; R125-S129 WeakPolarHBondContact O-CB 3.37Å; R125-S129 PolarHBondContact O-N 3Å; R125-S129 PolarHBondContact O-OG 3.38Å
126	T	98.5	Very high	97.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-79.4	-34	178.6	59	0	0	0	0	110.9	H59 S120 S121 T123 E124 A130 A312	H59-T126 HydrophobicContact CB-CG2 3.98Å; S120-T126 WeakPolarHBondContact OG-CB 3.48Å; S120-T126 PolarHBondContact OG-O 2.82Å; S120-T126 PolarHBondContact OG-OG1 3.33Å; S120-T126 VanDerWaalsContact OG-OG1 3.13Å; S121-T126 PolarHBondContact O-OG1 3.32Å; S121-T126 PolarHBondContact OG-OG1 3.35Å; T123-T126 PolarHBondContact O-N 3.27Å; T123-T126 PolarHBondContact O-OG1 3.38Å; E124-T126 VanDerWaalsContact C-N 3.27Å; E124-T126 PolarHBondContact O-N 3.32Å; T126-A130 WeakPolarHBondContact O-CB 3.48Å; T126-A130 PolarHBondContact O-N 2.88Å; T126-A312 WeakPolarHBondContact CG2-O 3.48Å
127	L	98.5	Very high	97.8	Very high	52 Å²	52	30 Å²	30	27%	0.272	15%	0.147	S	C	.	.	H	α-helix	trans	-66.5	-45.7	172.7	-69.5	164.6	0	0	0	110.8	S120 T123 E124 S129 A130 N131 V151	S120-L127 PolarHBondContact OG-N 3.23Å; T123-L127 PolarHBondContact O-N 3.4Å; E124-L127 PolarHBondContact O-N 3.15Å; E124-L127 VanDerWaalsContact O-N 3.12Å; L127-S129 VanDerWaalsContact C-N 3.32Å; L127-S129 PolarHBondContact O-N 2.99Å; L127-A130 WeakPolarHBondContact O-CB 3.28Å; L127-A130 PolarHBondContact O-N 2.85Å; L127-N131 PolarHBondContact O-N 2.84Å; L127-N131 PolarHBondContact O-ND2 3.39Å; L127-V151 HydrophobicContact CD2-CG1 3.98Å
128	M	98.5	Very high	97.7	Very high	75 Å²	75	28.8 Å²	28.8	37%	0.369	14%	0.14	S	C	.	.	H	α-helix	trans	-61.4	-41	174.7	-67	172.7	73.7	0	0	111.8	L84 E124 N131 N132	L84-M128 HydrophobicContact CB-CB 4.43Å; L84-M128 HydrophobicContact CB-CE 4.23Å; L84-M128 HydrophobicContact CB-SD 4.22Å; L84-M128 HydrophobicContact CD2-CB 3.63Å; L84-M128 HydrophobicContact CD2-CE 4.48Å; E124-M128 VanDerWaalsContact O-CG 3.32Å; E124-M128 WeakPolarHBondContact O-CG 3.38Å; E124-M128 PolarHBondContact O-N 3.03Å; M128-N131 PolarHBondContact O-N 3.43Å; M128-N132 PolarHBondContact O-N 3.08Å; M128-N132 PolarHBondContact O-ND2 2.99Å
129	S	98.8	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.1	-47.3	174.5	-68.1	0	0	0	0	111.9	H59 G60 L84 H92 R125 L127 N131 N132 F133	H59-S129 WeakPolarHBondContact CA-OG 3.3Å; H59-S129 WeakPolarHBondContact CB-OG 3.34Å; G60-S129 PolarHBondContact N-OG 3.24Å; L84-S129 WeakPolarHBondContact CD1-OG 3.5Å; H92-S129 WeakPolarHBondContact CB-O 3.46Å; H92-S129 WeakPolarHBondContact CD2-CB 3.2Å; H92-S129 PolarHBondContact CD2-OG 3.02Å; H92-S129 WeakPolarHBondContact NE2-CB 3.13Å; R125-S129 VanDerWaalsContact O-CB 3.28Å; R125-S129 WeakPolarHBondContact O-CB 3.37Å; R125-S129 PolarHBondContact O-N 3Å; R125-S129 PolarHBondContact O-OG 3.38Å; L127-S129 VanDerWaalsContact C-N 3.32Å; L127-S129 PolarHBondContact O-N 2.99Å; S129-N131 VanDerWaalsContact C-N 3.35Å; S129-N131 PolarHBondContact O-N 2.86Å; S129-N132 PolarHBondContact O-N 3.43Å; S129-F133 PolarHBondContact O-N 3.47Å
130	A	98.8	Very high	97	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59	-44.9	177.2	0	0	0	0	0	112	T126 L127 N132 F133 I134 V151 F311	T126-A130 WeakPolarHBondContact O-CB 3.48Å; T126-A130 PolarHBondContact O-N 2.88Å; L127-A130 WeakPolarHBondContact O-CB 3.28Å; L127-A130 PolarHBondContact O-N 2.85Å; A130-N132 PolarHBondContact O-N 2.84Å; A130-F133 WeakPolarHBondContact O-CB 3.19Å; A130-F133 PolarHBondContact O-N 3.37Å; A130-I134 WeakPolarHBondContact O-CG1 3.22Å; A130-I134 PolarHBondContact O-N 2.85Å; A130-V151 HydrophobicContact CB-CG1 3.81Å; A130-V151 HydrophobicContact CB-CG2 3.85Å; A130-F311 HydrophobicContact CB-CB 4.16Å; A130-F311 HydrophobicContact CB-CD1 4.28Å; A130-F311 HydrophobicContact CB-CD2 3.27Å; A130-F311 HydrophobicContact CB-CE2 3.64Å; A130-F311 HydrophobicContact CB-CG 3.64Å; A130-F311 HydrophobicContact CB-CZ 4.29Å
131	N	98.1	Very high	96.3	Very high	62 Å²	62	35.6 Å²	35.6	33%	0.332	18%	0.175	S	C	.	.	H	α-helix	trans	-64.3	-39.3	178.4	-71.9	-30	0	0	0	112.6	L127 M128 S129 I134 R135 V151	L127-N131 PolarHBondContact O-N 2.84Å; L127-N131 PolarHBondContact O-ND2 3.39Å; M128-N131 PolarHBondContact O-N 3.43Å; S129-N131 VanDerWaalsContact C-N 3.35Å; S129-N131 PolarHBondContact O-N 2.86Å; N131-I134 PolarHBondContact O-N 3.4Å; N131-R135 WeakPolarHBondContact O-CG 3.33Å; N131-R135 PolarHBondContact O-N 3.2Å; N131-R135 VanDerWaalsContact O-N 3.1Å; N131-V151 WeakPolarHBondContact OD1-CG2 3.44Å
132	N	98.2	Very high	95.3	Very high	37 Å²	37	42.4 Å²	42.4	20%	0.198	20%	0.204	C	C	.	.	H	α-helix	trans	-68.8	-39.3	175.4	-78.4	-73.3	0	0	0	111.9	A89 H92 H93 M128 S129 A130 I134 R135 G136	A89-N132 WeakPolarHBondContact O-CB 3.34Å; H92-N132 HydrophobicContact CB-CB 3.96Å; H93-N132 WeakPolarHBondContact CA-O 3.24Å; M128-N132 PolarHBondContact O-N 3.08Å; M128-N132 PolarHBondContact O-ND2 2.99Å; S129-N132 PolarHBondContact O-N 3.43Å; A130-N132 PolarHBondContact O-N 2.84Å; N132-I134 PolarHBondContact O-N 3.37Å; N132-R135 PolarHBondContact O-N 3.02Å; N132-G136 PolarHBondContact O-N 3.22Å
133	F	98.5	Very high	94.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-56.9	-49.5	171.6	177.4	-79.5	0	0	0	111.6	I55 H92 L95 G96 I99 F118 S129 A130 R135 G136 F137 F307 F311	I55-F133 HydrophobicContact CD1-CE1 4.44Å; I55-F133 HydrophobicContact CD1-CE2 3.89Å; I55-F133 HydrophobicContact CD1-CZ 3.63Å; H92-F133 HydrophobicContact CB-CB 4.33Å; H92-F133 VanDerWaalsContact O-CA 3.22Å; H92-F133 WeakPolarHBondContact O-CA 3.2Å; L95-F133 HydrophobicContact CB-CD2 4.22Å; L95-F133 HydrophobicContact CD2-CD2 4.15Å; L95-F133 HydrophobicContact CD2-CE2 4.41Å; L95-F133 HydrophobicContact CG-CD2 3.92Å; L95-F133 HydrophobicContact CG-CE2 3.93Å; G96-F133 WeakPolarHBondContact CA-O 3.1Å; I99-F133 HydrophobicContact CB-CE2 4.16Å; I99-F133 HydrophobicContact CB-CZ 3.99Å; I99-F133 HydrophobicContact CG1-CE2 3.97Å; I99-F133 HydrophobicContact CG1-CZ 4.24Å; I99-F133 HydrophobicContact CG2-CZ 4.11Å; F118-F133 HydrophobicContact CE1-CD1 4.16Å; F118-F133 AromaticContact CE1-CE1 3.97Å; F118-F133 HydrophobicContact CE1-CE1 3.97Å; S129-F133 PolarHBondContact O-N 3.47Å; A130-F133 WeakPolarHBondContact O-CB 3.19Å; A130-F133 PolarHBondContact O-N 3.37Å; F133-R135 VanDerWaalsContact C-N 3.3Å; F133-R135 PolarHBondContact O-N 3.38Å; F133-G136 PolarHBondContact O-N 3.4Å; F133-F137 HydrophobicContact CD1-CB 4.11Å; F133-F137 HydrophobicContact CE1-CB 3.79Å; F133-F137 AromaticContact CE1-CD2 3.9Å; F133-F137 HydrophobicContact CE1-CD2 3.9Å; F133-F137 AromaticContact CE1-CG 3.85Å; F133-F137 HydrophobicContact CE1-CG 3.85Å; F133-F137 HydrophobicContact CZ-CB 4.43Å; F133-F137 AromaticContact CZ-CD2 3.94Å; F133-F137 HydrophobicContact CZ-CD2 3.94Å; F133-F137 HydrophobicContact CZ-CG 4.36Å; F133-F137 VanDerWaalsContact O-CB 3.26Å; F133-F137 WeakPolarHBondContact O-CB 3.28Å; F133-F137 PolarHBondContact O-N 2.64Å; F133-F307 HydrophobicContact CE1-CE1 4.22Å; F133-F307 HydrophobicContact CE1-CZ 4.39Å; F133-F307 HydrophobicContact CZ-CE1 4.41Å; F133-F307 HydrophobicContact CZ-CZ 4.12Å; F133-F311 HydrophobicContact CB-CE1 3.63Å; F133-F311 HydrophobicContact CB-CZ 3.75Å; F133-F311 HydrophobicContact CD1-CE1 4.13Å; F133-F311 AromaticContact CD1-CZ 3.56Å; F133-F311 HydrophobicContact CD1-CZ 3.56Å; F133-F311 AromaticContact CD2-CE1 3.89Å; F133-F311 HydrophobicContact CD2-CE1 3.89Å; F133-F311 HydrophobicContact CD2-CZ 4.14Å; F133-F311 HydrophobicContact CE1-CZ 4.21Å; F133-F311 AromaticContact CG-CE1 3.61Å; F133-F311 HydrophobicContact CG-CE1 3.61Å; F133-F311 AromaticContact CG-CZ 3.53Å; F133-F311 HydrophobicContact CG-CZ 3.53Å
134	I	97.9	Very high	93	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.2	-43.3	178.9	-79	161.5	0	0	0	111.6	F118 A130 N131 N132 G136 F137 Y138 L140 V148 P149 V151	F118-I134 HydrophobicContact CB-CD1 4.04Å; F118-I134 HydrophobicContact CD1-CD1 4.03Å; F118-I134 HydrophobicContact CD1-CG1 3.77Å; F118-I134 HydrophobicContact CD2-CD1 3.85Å; F118-I134 HydrophobicContact CD2-CG1 3.98Å; F118-I134 HydrophobicContact CE1-CD1 4.5Å; F118-I134 HydrophobicContact CE1-CG1 3.78Å; F118-I134 HydrophobicContact CE2-CD1 4.32Å; F118-I134 HydrophobicContact CE2-CG1 3.97Å; F118-I134 HydrophobicContact CG-CD1 3.7Å; F118-I134 HydrophobicContact CG-CG1 3.89Å; F118-I134 HydrophobicContact CZ-CG1 3.89Å; A130-I134 WeakPolarHBondContact O-CG1 3.22Å; A130-I134 PolarHBondContact O-N 2.85Å; N131-I134 PolarHBondContact O-N 3.4Å; N132-I134 PolarHBondContact O-N 3.37Å; I134-G136 VanDerWaalsContact C-N 3.35Å; I134-G136 PolarHBondContact O-N 3.48Å; I134-F137 PolarHBondContact O-N 3.15Å; I134-Y138 HydrophobicContact CG2-CD2 4.34Å; I134-Y138 PolarHBondContact O-N 3.12Å; I134-L140 HydrophobicContact CG2-CD1 3.99Å; I134-V148 HydrophobicContact CG2-CG1 4.13Å; I134-P149 HydrophobicContact CD1-CB 4.36Å; I134-P149 HydrophobicContact CG2-CB 4.32Å; I134-P149 VanDerWaalsContact CG2-CD 3.45Å; I134-P149 HydrophobicContact CG2-CG 3.8Å; I134-V151 HydrophobicContact CD1-CG2 3.35Å
135	R	96.4	Very high	91.8	Very high	128 Å²	128	53.5 Å²	53.5	48%	0.483	26%	0.258	S	S	.	.	H	α-helix	trans	-57.5	-47.7	177.6	-74.6	169.6	179.1	-96.8	0.1	111.6	N131 N132 F133 H139 L140	N131-R135 WeakPolarHBondContact O-CG 3.33Å; N131-R135 PolarHBondContact O-N 3.2Å; N131-R135 VanDerWaalsContact O-N 3.1Å; N132-R135 PolarHBondContact O-N 3.02Å; F133-R135 VanDerWaalsContact C-N 3.3Å; F133-R135 PolarHBondContact O-N 3.38Å; R135-H139 WeakPolarHBondContact O-CA 3.49Å; R135-H139 PolarHBondContact O-N 3.11Å; R135-H139 VanDerWaalsContact O-N 3.07Å; R135-L140 HydrophobicContact CG-CB 4.44Å; R135-L140 HydrophobicContact CG-CD1 4.37Å; R135-L140 PolarHBondContact O-N 3.46Å
136	G	96.1	Very high	91	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-71.2	-36.2	177.9	0	0	0	0	0	113.3	H93 R97 N132 F133 I134	H93-G136 VanDerWaalsContact CD2-CA 3.48Å; H93-G136 WeakPolarHBondContact CD2-CA 3.36Å; H93-G136 PolarHBondContact CD2-N 3.01Å; H93-G136 VanDerWaalsContact CD2-N 3.25Å; H93-G136 WeakPolarHBondContact O-CA 3.4Å; R97-G136 WeakPolarHBondContact CG-O 3.17Å; N132-G136 PolarHBondContact O-N 3.22Å; F133-G136 PolarHBondContact O-N 3.4Å; I134-G136 VanDerWaalsContact C-N 3.35Å; I134-G136 PolarHBondContact O-N 3.48Å
137	F	96.3	Very high	90.3	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-68.7	-36.7	-178.1	-173.2	-100.2	0	0	0	113	G96 I99 R100 V107 F118 F133 I134 F307	G96-F137 WeakPolarHBondContact O-CA 3.29Å; G96-F137 WeakPolarHBondContact O-CD2 3.34Å; I99-F137 HydrophobicContact CB-CD2 4.41Å; I99-F137 HydrophobicContact CB-CE2 4.47Å; I99-F137 HydrophobicContact CG2-CD2 4.31Å; I99-F137 HydrophobicContact CG2-CE2 3.95Å; R100-F137 HydrophobicContact CB-CD2 3.72Å; R100-F137 HydrophobicContact CB-CE2 4.04Å; R100-F137 HydrophobicContact CB-CG 4.34Å; R100-F137 WeakPolarHBondContact CB-O 3.49Å; R100-F137 VanDerWaalsContact CD-O 3.27Å; R100-F137 WeakPolarHBondContact CD-O 3.43Å; R100-F137 VanDerWaalsContact CG-O 3.24Å; R100-F137 WeakPolarHBondContact CG-O 3.38Å; V107-F137 HydrophobicContact CB-CZ 4.2Å; V107-F137 HydrophobicContact CG1-CE1 4Å; V107-F137 HydrophobicContact CG1-CZ 3.88Å; V107-F137 HydrophobicContact CG2-CZ 4.33Å; F118-F137 HydrophobicContact CZ-CD1 4.27Å; F133-F137 HydrophobicContact CD1-CB 4.11Å; F133-F137 HydrophobicContact CE1-CB 3.79Å; F133-F137 AromaticContact CE1-CD2 3.9Å; F133-F137 HydrophobicContact CE1-CD2 3.9Å; F133-F137 AromaticContact CE1-CG 3.85Å; F133-F137 HydrophobicContact CE1-CG 3.85Å; F133-F137 HydrophobicContact CZ-CB 4.43Å; F133-F137 AromaticContact CZ-CD2 3.94Å; F133-F137 HydrophobicContact CZ-CD2 3.94Å; F133-F137 HydrophobicContact CZ-CG 4.36Å; F133-F137 VanDerWaalsContact O-CB 3.26Å; F133-F137 WeakPolarHBondContact O-CB 3.28Å; F133-F137 PolarHBondContact O-N 2.64Å; I134-F137 PolarHBondContact O-N 3.15Å; F137-F307 HydrophobicContact CE1-CD1 4.22Å; F137-F307 HydrophobicContact CE1-CE1 4.18Å; F137-F307 HydrophobicContact CE2-CE1 4.07Å; F137-F307 HydrophobicContact CE2-CE2 4.47Å; F137-F307 AromaticContact CE2-CZ 3.99Å; F137-F307 HydrophobicContact CE2-CZ 3.99Å; F137-F307 AromaticContact CZ-CD1 3.96Å; F137-F307 HydrophobicContact CZ-CD1 3.96Å; F137-F307 AromaticContact CZ-CE1 3.82Å; F137-F307 HydrophobicContact CZ-CE1 3.82Å; F137-F307 HydrophobicContact CZ-CE2 4.49Å; F137-F307 HydrophobicContact CZ-CG 4.36Å; F137-F307 HydrophobicContact CZ-CZ 4.11Å
138	Y	95.4	Very high	90	Very high	5 Å²	5	61.6 Å²	61.6	2%	0.02	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	10.9	177.8	-73.2	-69.8	0	0	0	114.2	E109 Y111 T116 F118 I134 L140 P149	E109-Y138 WeakPolarHBondContact O-CD1 3.35Å; Y111-Y138 HydrophobicContact CD2-CE2 4.42Å; T116-Y138 WeakPolarHBondContact CG2-OH 3.12Å; T116-Y138 PolarHBondContact OG1-OH 3.32Å; F118-Y138 AromaticContact CE2-CE2 3.77Å; F118-Y138 HydrophobicContact CE2-CE2 3.77Å; F118-Y138 AromaticContact CZ-CE2 3.66Å; F118-Y138 HydrophobicContact CZ-CE2 3.66Å; I134-Y138 HydrophobicContact CG2-CD2 4.34Å; I134-Y138 PolarHBondContact O-N 3.12Å; Y138-L140 VanDerWaalsContact C-N 3.27Å; Y138-L140 PolarHBondContact O-N 3.31Å; Y138-P149 HydrophobicContact CD2-CG 3.69Å; Y138-P149 HydrophobicContact CE2-CG 3.5Å
139	H	92.6	Very high	89.8	Confident	67 Å²	67	58.1 Å²	58.1	31%	0.31	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	43.5	-179.3	-51.6	110	0	0	0	113.6	R135 E141 K142	R135-H139 WeakPolarHBondContact O-CA 3.49Å; R135-H139 PolarHBondContact O-N 3.11Å; R135-H139 VanDerWaalsContact O-N 3.07Å; H139-E141 WeakPolarHBondContact CA-OE2 3.23Å; H139-E141 PolarHBondContact O-N 2.94Å; H139-E141 VanDerWaalsContact O-N 3.16Å; H139-K142 PolarHBondContact O-N 3.34Å; H139-K142 VanDerWaalsContact O-N 3.16Å
140	L	89.6	Confident	89.7	Confident	31 Å²	31	60.9 Å²	60.9	16%	0.162	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-4.8	-173.5	-56.2	-176.7	0	0	0	113.7	I134 R135 Y138 K142 N146 V148	I134-L140 HydrophobicContact CG2-CD1 3.99Å; R135-L140 HydrophobicContact CG-CB 4.44Å; R135-L140 HydrophobicContact CG-CD1 4.37Å; R135-L140 PolarHBondContact O-N 3.46Å; Y138-L140 VanDerWaalsContact C-N 3.27Å; Y138-L140 PolarHBondContact O-N 3.31Å; L140-K142 VanDerWaalsContact C-N 3.32Å; L140-N146 HydrophobicContact CD2-CB 3.66Å; L140-V148 HydrophobicContact CD1-CB 4.36Å; L140-V148 HydrophobicContact CD1-CG1 4.39Å; L140-V148 HydrophobicContact CD1-CG2 3.98Å
141	E	82	Confident	89.7	Confident	88 Å²	88	62.4 Å²	62.4	41%	0.411	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-23.4	170.2	70.1	-83.5	-159.9	0	0	113.2	H93 R97 H139	H93-E141 IonicContact NE2-OE2 3.19Å; R97-E141 IonicContact CZ-OE1 2.68Å; R97-E141 IonicContact NE-OE1 3.94Å; R97-E141 IonicContact NH2-OE1 2.86Å; R97-E141 PolarHBondContact NH2-OE1 2.97Å; H139-E141 WeakPolarHBondContact CA-OE2 3.23Å; H139-E141 PolarHBondContact O-N 2.94Å; H139-E141 VanDerWaalsContact O-N 3.16Å
142	K	77.5	Confident	89.7	Confident	143 Å²	143	64.7 Å²	64.7	62%	0.622	32%	0.324	S	S	*	.	S	Bend	trans	-84.6	155.8	171.9	-62.2	179.5	-177.3	176	0	108.3	H139 L140 S144	H139-K142 PolarHBondContact O-N 3.34Å; H139-K142 VanDerWaalsContact O-N 3.16Å; L140-K142 VanDerWaalsContact C-N 3.32Å; K142-S144 PolarHBondContact O-N 3.05Å
143	K	74.5	Confident	89.7	Confident	225 Å²	225	65.4 Å²	65.4	98%	0.978	33%	0.332	S	S	*	.	S	Bend	trans	-59.7	93.1	169.3	-167.6	178.8	-177.2	-179	0	108
144	S	70.8	Confident	89.5	Confident	47 Å²	47	71.6 Å²	71.6	33%	0.329	36%	0.355	S	S	.	.			trans	-106.3	146	-173.4	-176.9	0	0	0	0	109.1	K142 N146	K142-S144 PolarHBondContact O-N 3.05Å; S144-N146 PolarHBondContact O-N 3.03Å; S144-N146 WeakPolarHBondContact OG-CB 3.46Å; S144-N146 PolarHBondContact OG-N 3.08Å; S144-N146 VanDerWaalsContact OG-N 3.14Å
145	T	73.9	Confident	89.2	Confident	132 Å²	132	77.4 Å²	77.4	81%	0.81	39%	0.386	S	S	*	.	S	Bend	trans	-75.1	-9.1	169.3	50.2	0	0	0	0	112
146	N	79.2	Confident	88.7	Confident	22 Å²	22	72.8 Å²	72.8	12%	0.118	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-78.4	124.4	-179.6	-67.4	-22.8	0	0	0	111.8	E109 V110 L140 S144	E109-N146 PolarHBondContact O-ND2 2.94Å; V110-N146 VanDerWaalsContact CA-OD1 3.23Å; V110-N146 WeakPolarHBondContact CA-OD1 3.42Å; V110-N146 WeakPolarHBondContact CB-OD1 3.42Å; V110-N146 WeakPolarHBondContact CG1-OD1 3.2Å; V110-N146 WeakPolarHBondContact CG2-OD1 3.39Å; L140-N146 HydrophobicContact CD2-CB 3.66Å; S144-N146 PolarHBondContact O-N 3.03Å; S144-N146 WeakPolarHBondContact OG-CB 3.46Å; S144-N146 PolarHBondContact OG-N 3.08Å; S144-N146 VanDerWaalsContact OG-N 3.14Å
147	N	85.4	Confident	88.3	Confident	145 Å²	145	80.7 Å²	80.7	78%	0.775	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-67	155.7	159.1	-70.9	-37.3	0	0	0	110.1	P149	N147-P149 WeakPolarHBondContact O-CD 3.49Å
148	V	91	Very high	87.9	Confident	86 Å²	86	85.1 Å²	85.1	52%	0.521	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-66.6	118.5	175	-174.6	0	0	0	0	109.1	I134 L140	I134-V148 HydrophobicContact CG2-CG1 4.13Å; L140-V148 HydrophobicContact CD1-CB 4.36Å; L140-V148 HydrophobicContact CD1-CG1 4.39Å; L140-V148 HydrophobicContact CD1-CG2 3.98Å
149	P	95.1	Very high	87.8	Confident	3 Å²	3	84.9 Å²	84.9	2%	0.019	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-53.5	146.6	172.2	-25	28.3	0	0	0	113.6	Y111 F118 I134 Y138 N147	Y111-P149 HydrophobicContact CD1-CB 4.31Å; Y111-P149 HydrophobicContact CD1-CG 4.37Å; Y111-P149 HydrophobicContact CD2-CB 3.72Å; Y111-P149 HydrophobicContact CD2-CG 3.73Å; Y111-P149 HydrophobicContact CE1-CB 4.44Å; Y111-P149 HydrophobicContact CE2-CB 3.88Å; Y111-P149 HydrophobicContact CE2-CG 4.4Å; Y111-P149 HydrophobicContact CG-CB 3.95Å; Y111-P149 HydrophobicContact CG-CG 3.71Å; F118-P149 HydrophobicContact CD2-CB 3.7Å; F118-P149 HydrophobicContact CD2-CG 4.44Å; F118-P149 HydrophobicContact CE2-CB 3.64Å; F118-P149 HydrophobicContact CE2-CG 3.9Å; I134-P149 HydrophobicContact CD1-CB 4.36Å; I134-P149 HydrophobicContact CG2-CB 4.32Å; I134-P149 VanDerWaalsContact CG2-CD 3.45Å; I134-P149 HydrophobicContact CG2-CG 3.8Å; Y138-P149 HydrophobicContact CD2-CG 3.69Å; Y138-P149 HydrophobicContact CE2-CG 3.5Å; N147-P149 WeakPolarHBondContact O-CD 3.49Å
150	P	96.8	Very high	87.9	Confident	58 Å²	58	83.5 Å²	83.5	38%	0.377	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-71.1	146.6	173.8	30.6	-34.8	0	0	0	111.8	F152	P150-F152 HydrophobicContact CB-CE2 4.27Å; P150-F152 HydrophobicContact CB-CZ 4.25Å; P150-F152 HydrophobicContact CG-CE2 3.91Å; P150-F152 HydrophobicContact CG-CZ 3.99Å
151	V	98.4	Very high	88.2	Confident	31 Å²	31	83 Å²	83	19%	0.188	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	114.9	168.6	179.5	0	0	0	0	108.8	F118 L127 A130 N131 I134	F118-V151 HydrophobicContact CB-CG2 4.25Å; L127-V151 HydrophobicContact CD2-CG1 3.98Å; A130-V151 HydrophobicContact CB-CG1 3.81Å; A130-V151 HydrophobicContact CB-CG2 3.85Å; N131-V151 WeakPolarHBondContact OD1-CG2 3.44Å; I134-V151 HydrophobicContact CD1-CG2 3.35Å
152	F	98	Very high	89	Confident	111 Å²	111	78.8 Å²	78.8	49%	0.487	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	148.6	178.2	-62.5	-82.3	0	0	0	111.5	L117 F118 R119 S120 P150	L117-F152 HydrophobicContact CD1-CD2 3.62Å; L117-F152 HydrophobicContact CD1-CE2 3.95Å; F118-F152 PolarHBondContact O-N 2.83Å; R119-F152 CarbonylContact C-O 3.48Å; R119-F152 VanDerWaalsContact CA-O 3.27Å; R119-F152 WeakPolarHBondContact CA-O 3.21Å; R119-F152 WeakPolarHBondContact CG-O 3.29Å; S120-F152 PolarHBondContact N-O 3.21Å; P150-F152 HydrophobicContact CB-CE2 4.27Å; P150-F152 HydrophobicContact CB-CZ 4.25Å; P150-F152 HydrophobicContact CG-CE2 3.91Å; P150-F152 HydrophobicContact CG-CZ 3.99Å
153	S	97.7	Very high	89.9	Confident	51 Å²	51	73.3 Å²	73.3	36%	0.357	38%	0.379	S	S	.	.			trans	-152.7	160.7	178.2	-159.5	0	0	0	0	112.3	S120 S121 G122	S120-S153 WeakPolarHBondContact O-CA 3.41Å; S120-S153 WeakPolarHBondContact O-CB 3.21Å; S120-S153 PolarHBondContact O-OG 2.95Å; S121-S153 PolarHBondContact O-OG 2.98Å; G122-S153 WeakPolarHBondContact CA-OG 3.43Å; G122-S153 PolarHBondContact N-OG 3.47Å
154	R	94.4	Very high	90.9	Very high	130 Å²	130	62.7 Å²	62.7	49%	0.491	33%	0.333	S	S	.	.			trans	-113.9	155	166.9	-68.7	-166.3	71.2	165.2	0.5	109.1	G122 A156 E158 D159	G122-R154 WeakPolarHBondContact CA-O 3.46Å; G122-R154 PolarHBondContact N-O 3.2Å; R154-A156 PolarHBondContact O-N 3.36Å; R154-E158 IonicContact NH2-OE2 3.46Å; R154-D159 HydrophobicContact CB-CB 4.09Å
155	L	91.4	Very high	92	Very high	122 Å²	122	64.1 Å²	64.1	64%	0.639	34%	0.343	S	S	*	.			trans	-54.7	135.5	172.5	-64.9	178.8	0	0	0	109.9	Q157 E158 D159	L155-Q157 PolarHBondContact O-N 3.39Å; L155-E158 PolarHBondContact O-N 3.41Å; L155-D159 PolarHBondContact O-N 2.95Å
156	A	87.7	Confident	92.9	Very high	32 Å²	32	58 Å²	58	26%	0.264	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-29.1	-170.8	0	0	0	0	0	113.9	R154 K163	R154-A156 PolarHBondContact O-N 3.36Å; A156-K163 WeakPolarHBondContact O-CG 3.34Å
157	Q	86.7	Confident	93.6	Very high	165 Å²	165	62.7 Å²	62.7	77%	0.771	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-27.1	179	-67.3	-177.8	-9.9	0	0	113.3	L155 S166	L155-Q157 PolarHBondContact O-N 3.39Å; Q157-S166 VanDerWaalsContact O-CB 3.29Å; Q157-S166 WeakPolarHBondContact O-CB 3.46Å
158	E	87.8	Confident	94	Very high	94 Å²	94	55.8 Å²	55.8	44%	0.439	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-7.8	-178.3	-59.5	176.3	-172.1	0	0	112.7	R154 L155 H160	R154-E158 IonicContact NH2-OE2 3.46Å; L155-E158 PolarHBondContact O-N 3.41Å; E158-H160 VanDerWaalsContact C-N 3.31Å; E158-H160 PolarHBondContact O-CD2 3.17Å; E158-H160 PolarHBondContact O-N 3.42Å
159	D	94.4	Very high	94.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.27	C	S	.	.			trans	-80.6	78.8	-178	-166	-4.6	0	0	0	111.1	R119 R154 L155 L161 L162 K163 S166	R119-D159 IonicContact NH2-OD1 3.48Å; R154-D159 HydrophobicContact CB-CB 4.09Å; L155-D159 PolarHBondContact O-N 2.95Å; D159-L161 PolarHBondContact O-N 2.95Å; D159-L161 PolarHBondContact OD1-N 2.8Å; D159-L162 PolarHBondContact OD1-N 3.04Å; D159-L162 WeakPolarHBondContact OD2-CB 3.46Å; D159-K163 HydrophobicContact CB-CB 3.99Å; D159-K163 WeakPolarHBondContact O-CA 3.37Å; D159-K163 VanDerWaalsContact O-CB 3.24Å; D159-K163 WeakPolarHBondContact O-CB 3.46Å; D159-K163 PolarHBondContact O-N 2.99Å; D159-K163 VanDerWaalsContact O-N 3.13Å; D159-S166 PolarHBondContact O-OG 3.2Å
160	H	93.1	Very high	94.3	Very high	37 Å²	37	55.4 Å²	55.4	17%	0.171	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-8.7	174.2	-59	-62.8	0	0	0	113.7	E158 S166 K167 I410	E158-H160 VanDerWaalsContact C-N 3.31Å; E158-H160 PolarHBondContact O-CD2 3.17Å; E158-H160 PolarHBondContact O-N 3.42Å; H160-S166 PolarHBondContact ND1-OG 3.27Å; H160-K167 PolarHBondContact CE1-O 3.46Å; H160-K167 VanDerWaalsContact CE1-O 3.26Å; H160-I410 HydrophobicContact CB-CB 4.43Å; H160-I410 HydrophobicContact CB-CG1 4.01Å; H160-I410 HydrophobicContact CB-CG2 3.61Å
161	L	96.2	Very high	94.3	Very high	21 Å²	21	53.1 Å²	53.1	11%	0.11	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-53.4	-177.8	-166.9	73.7	0	0	0	112.1	R119 D159 M164 L274 H277 Y310	R119-L161 VanDerWaalsContact CZ-CD2 3.47Å; R119-L161 VanDerWaalsContact NH1-CD2 3.26Å; D159-L161 PolarHBondContact O-N 2.95Å; D159-L161 PolarHBondContact OD1-N 2.8Å; L161-M164 VanDerWaalsContact O-CE 3.3Å; L161-M164 WeakPolarHBondContact O-CE 3.41Å; L161-L274 HydrophobicContact CD1-CB 3.99Å; L161-L274 HydrophobicContact CD1-CD1 4Å; L161-L274 HydrophobicContact CD2-CD1 4.31Å; L161-L274 HydrophobicContact CG-CB 4.49Å; L161-L274 HydrophobicContact CG-CD1 3.94Å; L161-H277 HydrophobicContact CD1-CB 3.8Å; L161-Y310 HydrophobicContact CD2-CE2 4.12Å
162	L	98.2	Very high	94.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-12.2	-174.3	-54.1	-178.9	0	0	0	113.8	L56 R119 D159 L274 Y310 A312 T316	L56-L162 HydrophobicContact CD1-CD2 4.34Å; R119-L162 HydrophobicContact CG-CD1 3.9Å; D159-L162 PolarHBondContact OD1-N 3.04Å; D159-L162 WeakPolarHBondContact OD2-CB 3.46Å; L162-L274 HydrophobicContact CD2-CD1 4.16Å; L162-L274 HydrophobicContact CD2-CD2 4.27Å; L162-Y310 HydrophobicContact CD1-CD2 4.47Å; L162-Y310 HydrophobicContact CD2-CD2 3.77Å; L162-Y310 HydrophobicContact CD2-CE2 4.5Å; L162-Y310 HydrophobicContact CD2-CG 4.41Å; L162-A312 HydrophobicContact CB-CB 4.16Å; L162-T316 HydrophobicContact CD2-CG2 4.44Å; L162-T316 PolarHBondContact O-OG1 2.92Å
163	K	96.9	Very high	94.2	Very high	28 Å²	28	56.8 Å²	56.8	12%	0.122	28%	0.277	C	S	.	.			trans	-111.6	100.2	179.3	-166.4	64.9	161.3	-167	0	111.8	T123 A156 D159 S165 S166 R270 H313	T123-K163 PolarHBondContact OG1-NZ 3.06Å; A156-K163 WeakPolarHBondContact O-CG 3.34Å; D159-K163 HydrophobicContact CB-CB 3.99Å; D159-K163 WeakPolarHBondContact O-CA 3.37Å; D159-K163 VanDerWaalsContact O-CB 3.24Å; D159-K163 WeakPolarHBondContact O-CB 3.46Å; D159-K163 PolarHBondContact O-N 2.99Å; D159-K163 VanDerWaalsContact O-N 3.13Å; K163-S165 WeakPolarHBondContact CE-OG 3.1Å; K163-S165 WeakPolarHBondContact CG-OG 3.49Å; K163-S165 PolarHBondContact O-N 3.23Å; K163-S166 PolarHBondContact O-N 3.2Å; K163-S166 VanDerWaalsContact O-N 3.08Å; K163-S166 PolarHBondContact O-OG 3.49Å; K163-R270 PolarHBondContact O-NH1 2.86Å; K163-H313 PolarHBondContact NZ-NE2 2.83Å
164	M	96.7	Very high	94.2	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	6.1	178.4	-58.2	-57	148.4	0	0	114.6	L161 R260 F261 R270 T316 A319	L161-M164 VanDerWaalsContact O-CE 3.3Å; L161-M164 WeakPolarHBondContact O-CE 3.41Å; M164-R260 PolarHBondContact O-NH2 2.81Å; M164-F261 HydrophobicContact CB-CE1 4.44Å; M164-F261 HydrophobicContact CB-CZ 4.06Å; M164-F261 HydrophobicContact CG-CZ 4.17Å; M164-R270 HydrophobicContact SD-CB 3.76Å; M164-R270 HydrophobicContact SD-CG 4.3Å; M164-T316 HydrophobicContact CE-CG2 3.75Å; M164-A319 HydrophobicContact CE-CB 4.15Å; M164-A319 HydrophobicContact CG-CB 4Å; M164-A319 HydrophobicContact SD-CB 3.75Å
165	S	93.8	Very high	94.4	Very high	78 Å²	78	51.1 Å²	51.1	55%	0.545	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	8.9	174.6	71.3	0	0	0	0	113.4	K163	K163-S165 WeakPolarHBondContact CE-OG 3.1Å; K163-S165 WeakPolarHBondContact CG-OG 3.49Å; K163-S165 PolarHBondContact O-N 3.23Å
166	S	92.9	Very high	94.7	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.014	24%	0.243	C	C	.	.	S	Bend	trans	-59.5	158.2	168.5	47.6	0	0	0	0	110.3	Q157 D159 H160 K163 C168 R270	Q157-S166 VanDerWaalsContact O-CB 3.29Å; Q157-S166 WeakPolarHBondContact O-CB 3.46Å; D159-S166 PolarHBondContact O-OG 3.2Å; H160-S166 PolarHBondContact ND1-OG 3.27Å; K163-S166 PolarHBondContact O-N 3.2Å; K163-S166 VanDerWaalsContact O-N 3.08Å; K163-S166 PolarHBondContact O-OG 3.49Å; S166-C168 PolarHBondContact O-N 2.05Å; S166-R270 PolarHBondContact O-NH1 3.5Å; S166-R270 PolarHBondContact O-NH2 2.74Å; S166-R270 PolarHBondContact OG-NH1 3.09Å
167	K	92.6	Very high	95.2	Very high	122 Å²	122	54.3 Å²	54.3	53%	0.53	26%	0.257	S	S	.	.			trans	-65.2	131.9	-175	-172.5	177.6	179.2	-175.5	0	111.3	H160 Y415	H160-K167 PolarHBondContact CE1-O 3.46Å; H160-K167 VanDerWaalsContact CE1-O 3.26Å; K167-Y415 HydrophobicContact CD-CE1 4.31Å; K167-Y415 HydrophobicContact CG-CE1 4.47Å
168	C	94.5	Very high	95.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.227	C	C	.	.			trans	-157.7	91	173.8	-175	0	0	0	0	110.9	S166 K170 F171 E172 R270 C414	S166-C168 PolarHBondContact O-N 2.05Å; C168-K170 VanDerWaalsContact C-N 3.31Å; C168-K170 PolarHBondContact O-N 3.03Å; C168-F171 HydrophobicContact CB-CB 3.9Å; C168-F171 WeakPolarHBondContact O-CB 3.4Å; C168-F171 PolarHBondContact O-N 3.41Å; C168-F171 VanDerWaalsContact SG-CB 3.58Å; C168-E172 PolarHBondContact O-N 2.76Å; C168-R270 VanDerWaalsContact CB-NH2 3.35Å; C168-C414 HydrophobicContact CB-CB 3.86Å; C168-C414 WeakPolarHBondContact CB-SG 3.36Å; C168-C414 VanDerWaalsContact SG-CA 3.6Å; C168-C414 WeakPolarHBondContact SG-CB 3.5Å; C168-C414 CovalentContact SG-SG 2.04Å; C168-C414 PolarHBondContact SG-SG 3.16Å
169	P	95.8	Very high	96.2	Very high	21 Å²	21	43.2 Å²	43.2	14%	0.136	21%	0.206	C	C	.	.	H	α-helix	trans	-56.1	-39.5	-175.1	-28.8	36	0	0	0	114.2	F171 E172 R173 C414 Y415 D418	P169-F171 PolarHBondContact O-N 3.49Å; P169-E172 PolarHBondContact O-N 2.86Å; P169-R173 WeakPolarHBondContact O-CB 3.39Å; P169-R173 PolarHBondContact O-N 2.83Å; P169-C414 WeakPolarHBondContact CD-O 3.42Å; P169-Y415 HydrophobicContact CG-CD1 3.84Å; P169-Y415 HydrophobicContact CG-CE1 3.85Å; P169-D418 WeakPolarHBondContact CG-OD2 3.32Å
170	K	96.6	Very high	96.3	Very high	59 Å²	59	47.2 Å²	47.2	26%	0.257	23%	0.227	S	C	.	.	H	α-helix	trans	-62	-42.9	175.8	-170.8	175	-177.3	173.3	0	112.5	C168 R173 L174 L269 E413 C414	C168-K170 VanDerWaalsContact C-N 3.31Å; C168-K170 PolarHBondContact O-N 3.03Å; K170-R173 PolarHBondContact O-N 2.88Å; K170-L174 HydrophobicContact CG-CD1 4.2Å; K170-L174 VanDerWaalsContact O-CG 3.29Å; K170-L174 WeakPolarHBondContact O-CG 3.03Å; K170-L174 PolarHBondContact O-N 3.27Å; K170-L174 VanDerWaalsContact O-N 3.1Å; K170-L269 HydrophobicContact CB-CD1 4.12Å; K170-L269 HydrophobicContact CD-CD1 4.27Å; K170-L269 HydrophobicContact CG-CD1 3.97Å; K170-E413 WeakPolarHBondContact CD-O 3.31Å; K170-C414 WeakPolarHBondContact CB-O 3.37Å; K170-C414 PolarHBondContact N-O 3.28Å
171	F	97.3	Very high	96.5	Very high	11 Å²	11	47 Å²	47	5%	0.048	23%	0.23	C	C	.	.	H	α-helix	trans	-63.7	-45.3	176	174.8	-89	0	0	0	111.1	C168 P169 R173 L174 F175 L266 L269 R270	C168-F171 HydrophobicContact CB-CB 3.9Å; C168-F171 WeakPolarHBondContact O-CB 3.4Å; C168-F171 PolarHBondContact O-N 3.41Å; C168-F171 VanDerWaalsContact SG-CB 3.58Å; P169-F171 PolarHBondContact O-N 3.49Å; F171-R173 VanDerWaalsContact C-N 3.33Å; F171-R173 PolarHBondContact O-N 3.39Å; F171-L174 PolarHBondContact O-N 2.7Å; F171-F175 HydrophobicContact CD1-CB 4.49Å; F171-F175 HydrophobicContact CE1-CB 4.13Å; F171-F175 HydrophobicContact CE1-CG 4.38Å; F171-F175 HydrophobicContact CZ-CB 4.39Å; F171-F175 VanDerWaalsContact O-CB 3.25Å; F171-F175 WeakPolarHBondContact O-CB 3.3Å; F171-F175 PolarHBondContact O-N 3Å; F171-L266 HydrophobicContact CD2-CB 4.47Å; F171-L266 HydrophobicContact CD2-CD2 3.89Å; F171-L266 HydrophobicContact CE2-CB 3.99Å; F171-L266 HydrophobicContact CE2-CD2 3.73Å; F171-L266 HydrophobicContact CE2-CG 4.42Å; F171-L266 HydrophobicContact CZ-CD2 4.35Å; F171-L269 HydrophobicContact CB-CB 4.32Å; F171-L269 HydrophobicContact CB-CD1 3.85Å; F171-L269 HydrophobicContact CD2-CB 4.28Å; F171-R270 HydrophobicContact CD2-CB 4.41Å; F171-R270 HydrophobicContact CD2-CG 3.4Å; F171-R270 HydrophobicContact CE2-CB 4.08Å; F171-R270 HydrophobicContact CE2-CG 3.32Å; F171-R270 HydrophobicContact CG-CG 4.06Å; F171-R270 HydrophobicContact CZ-CG 3.95Å
172	E	96.5	Very high	96.6	Very high	103 Å²	103	49.9 Å²	49.9	48%	0.481	25%	0.252	S	S	.	.	H	α-helix	trans	-58.9	-44.5	179.5	-71.5	165.1	-163.4	0	0	111.3	C168 P169 F175 H176	C168-E172 PolarHBondContact O-N 2.76Å; P169-E172 PolarHBondContact O-N 2.86Å; E172-F175 PolarHBondContact O-N 3.28Å; E172-H176 VanDerWaalsContact O-CB 3.23Å; E172-H176 WeakPolarHBondContact O-CB 3.33Å; E172-H176 PolarHBondContact O-N 3.14Å
173	R	97.7	Very high	96.5	Very high	115 Å²	115	54.6 Å²	54.6	43%	0.434	28%	0.281	S	S	.	.	H	α-helix	trans	-60.4	-50.5	176	-167.6	-168	-39.9	179.5	8.3	112.5	P169 K170 F171 F175 H176 Q177	P169-R173 WeakPolarHBondContact O-CB 3.39Å; P169-R173 PolarHBondContact O-N 2.83Å; K170-R173 PolarHBondContact O-N 2.88Å; F171-R173 VanDerWaalsContact C-N 3.33Å; F171-R173 PolarHBondContact O-N 3.39Å; R173-F175 VanDerWaalsContact C-N 3.32Å; R173-F175 PolarHBondContact O-N 2.89Å; R173-H176 PolarHBondContact O-N 3.12Å; R173-Q177 WeakPolarHBondContact O-CG 3.49Å; R173-Q177 PolarHBondContact O-N 3.2Å
174	L	97.9	Very high	96.5	Very high	45 Å²	45	53.3 Å²	53.3	24%	0.236	28%	0.275	C	S	.	.	H	α-helix	trans	-63.4	-40.2	179.5	-70.3	169.9	0	0	0	111.5	K170 F171 Q177 L178 Q265 L266 L269	K170-L174 HydrophobicContact CG-CD1 4.2Å; K170-L174 VanDerWaalsContact O-CG 3.29Å; K170-L174 WeakPolarHBondContact O-CG 3.03Å; K170-L174 PolarHBondContact O-N 3.27Å; K170-L174 VanDerWaalsContact O-N 3.1Å; F171-L174 PolarHBondContact O-N 2.7Å; L174-Q177 PolarHBondContact O-N 3.19Å; L174-L178 PolarHBondContact O-N 3.41Å; L174-L178 VanDerWaalsContact O-N 3.11Å; L174-Q265 HydrophobicContact CD1-CB 4.14Å; L174-L266 HydrophobicContact CB-CD2 3.78Å; L174-L269 HydrophobicContact CD1-CD1 4Å
175	F	98	Very high	96.6	Very high	18 Å²	18	54.9 Å²	54.9	8%	0.079	29%	0.287	C	S	.	.	H	α-helix	trans	-68.8	-41.3	178.3	-176.2	-116.4	0	0	0	111.4	F171 E172 R173 L178 M179 Y217 I259 R260 L266	F171-F175 HydrophobicContact CD1-CB 4.49Å; F171-F175 HydrophobicContact CE1-CB 4.13Å; F171-F175 HydrophobicContact CE1-CG 4.38Å; F171-F175 HydrophobicContact CZ-CB 4.39Å; F171-F175 VanDerWaalsContact O-CB 3.25Å; F171-F175 WeakPolarHBondContact O-CB 3.3Å; F171-F175 PolarHBondContact O-N 3Å; E172-F175 PolarHBondContact O-N 3.28Å; R173-F175 VanDerWaalsContact C-N 3.32Å; R173-F175 PolarHBondContact O-N 2.89Å; F175-L178 WeakPolarHBondContact O-CB 3.04Å; F175-L178 PolarHBondContact O-N 3.24Å; F175-M179 HydrophobicContact CD1-CG 4.23Å; F175-M179 HydrophobicContact CD2-CG 4.43Å; F175-M179 HydrophobicContact CE1-CG 3.8Å; F175-M179 HydrophobicContact CE1-SD 4.32Å; F175-M179 HydrophobicContact CE2-CG 4Å; F175-M179 HydrophobicContact CE2-SD 4.06Å; F175-M179 HydrophobicContact CZ-CG 3.66Å; F175-M179 HydrophobicContact CZ-SD 3.68Å; F175-M179 WeakPolarHBondContact O-CG 3.42Å; F175-M179 PolarHBondContact O-N 3.09Å; F175-Y217 HydrophobicContact CE1-CE1 4.31Å; F175-I259 HydrophobicContact CE2-CG1 4.39Å; F175-I259 HydrophobicContact CE2-CG2 4.04Å; F175-I259 HydrophobicContact CZ-CG2 4.15Å; F175-R260 HydrophobicContact CD2-CG 4.45Å; F175-R260 HydrophobicContact CE1-CG 4.33Å; F175-R260 HydrophobicContact CE2-CB 4.24Å; F175-R260 HydrophobicContact CE2-CG 3.7Å; F175-R260 HydrophobicContact CZ-CG 3.62Å; F175-L266 HydrophobicContact CB-CD2 3.98Å; F175-L266 HydrophobicContact CD2-CD1 4.27Å
176	H	97.6	Very high	96.7	Very high	101 Å²	101	57.1 Å²	57.1	47%	0.468	29%	0.288	S	S	.	.	H	α-helix	trans	-62.1	-42.6	174.7	-178.9	-99.8	0	0	0	112	E172 R173 L178 M179 N180	E172-H176 VanDerWaalsContact O-CB 3.23Å; E172-H176 WeakPolarHBondContact O-CB 3.33Å; E172-H176 PolarHBondContact O-N 3.14Å; R173-H176 PolarHBondContact O-N 3.12Å; H176-L178 VanDerWaalsContact C-N 3.3Å; H176-L178 PolarHBondContact O-N 2.82Å; H176-M179 PolarHBondContact O-N 2.9Å; H176-N180 PolarHBondContact CE1-ND2 3.3Å; H176-N180 PolarHBondContact ND1-ND2 2.94Å; H176-N180 PolarHBondContact NE2-ND2 2.99Å; H176-N180 PolarHBondContact O-N 3.3Å
177	Q	97.8	Very high	96.9	Very high	119 Å²	119	60.6 Å²	60.6	56%	0.556	30%	0.303	S	S	*	.	H	α-helix	trans	-58.1	-41.6	172.9	-74.5	173.2	-14.4	0	0	112.3	R173 L174 N180	R173-Q177 WeakPolarHBondContact O-CG 3.49Å; R173-Q177 PolarHBondContact O-N 3.2Å; L174-Q177 PolarHBondContact O-N 3.19Å; Q177-N180 PolarHBondContact O-N 3.18Å
178	L	98.1	Very high	97.2	Very high	25 Å²	25	54.8 Å²	54.8	13%	0.131	28%	0.278	C	S	.	.	H	α-helix	trans	-66.1	-43.2	175.3	176.9	61.9	0	0	0	111.9	L174 F175 H176 N180 S181 V184 I259 S262 K263 L266	L174-L178 PolarHBondContact O-N 3.41Å; L174-L178 VanDerWaalsContact O-N 3.11Å; F175-L178 WeakPolarHBondContact O-CB 3.04Å; F175-L178 PolarHBondContact O-N 3.24Å; H176-L178 VanDerWaalsContact C-N 3.3Å; H176-L178 PolarHBondContact O-N 2.82Å; L178-N180 VanDerWaalsContact C-N 3.26Å; L178-N180 PolarHBondContact O-N 3.43Å; L178-S181 VanDerWaalsContact O-CB 3.24Å; L178-S181 WeakPolarHBondContact O-CB 3.42Å; L178-S181 PolarHBondContact O-N 3.34Å; L178-S181 VanDerWaalsContact O-N 3.11Å; L178-S181 PolarHBondContact O-OG 2.99Å; L178-V184 VanDerWaalsContact O-CG2 3.32Å; L178-V184 WeakPolarHBondContact O-CG2 3.28Å; L178-I259 HydrophobicContact CD1-CD1 4.32Å; L178-I259 HydrophobicContact CD2-CD1 3.79Å; L178-I259 HydrophobicContact CD2-CG1 4.03Å; L178-I259 WeakPolarHBondContact CD2-O 2.98Å; L178-I259 HydrophobicContact CG-CD1 4Å; L178-I259 HydrophobicContact CG-CG1 4.35Å; L178-S262 WeakPolarHBondContact CD2-OG 3.3Å; L178-K263 HydrophobicContact CD2-CG 4.14Å; L178-L266 HydrophobicContact CD2-CD1 3.66Å
179	M	98	Very high	97.3	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-62.6	-33.4	178.8	-72.1	-62.6	-71.3	0	0	112.2	F175 H176 S181 V184 S213 F216 Y217 W220 I259	F175-M179 HydrophobicContact CD1-CG 4.23Å; F175-M179 HydrophobicContact CD2-CG 4.43Å; F175-M179 HydrophobicContact CE1-CG 3.8Å; F175-M179 HydrophobicContact CE1-SD 4.32Å; F175-M179 HydrophobicContact CE2-CG 4Å; F175-M179 HydrophobicContact CE2-SD 4.06Å; F175-M179 HydrophobicContact CZ-CG 3.66Å; F175-M179 HydrophobicContact CZ-SD 3.68Å; F175-M179 WeakPolarHBondContact O-CG 3.42Å; F175-M179 PolarHBondContact O-N 3.09Å; H176-M179 PolarHBondContact O-N 2.9Å; M179-S181 PolarHBondContact O-N 3.19Å; M179-V184 HydrophobicContact CE-CG1 4.24Å; M179-V184 VanDerWaalsContact O-CB 3.25Å; M179-V184 WeakPolarHBondContact O-CB 3.32Å; M179-V184 VanDerWaalsContact O-CG1 3.26Å; M179-V184 WeakPolarHBondContact O-CG1 3.49Å; M179-V184 HydrophobicContact SD-CG1 4.25Å; M179-S213 WeakPolarHBondContact O-CB 3.4Å; M179-S213 PolarHBondContact O-OG 3.33Å; M179-F216 HydrophobicContact CE-CB 4.17Å; M179-F216 HydrophobicContact CE-CD2 4.19Å; M179-Y217 HydrophobicContact CE-CE2 4.39Å; M179-W220 HydrophobicContact CE-CH2 3.82Å; M179-W220 HydrophobicContact CE-CZ3 4.42Å; M179-W220 HydrophobicContact SD-CH2 4.36Å; M179-I259 HydrophobicContact SD-CG1 4.08Å; M179-I259 HydrophobicContact SD-CG2 4.31Å
180	N	97.1	Very high	97.4	Very high	84 Å²	84	64.3 Å²	64.3	45%	0.449	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	7.5	176.6	-66.1	-7.8	0	0	0	114.1	H176 Q177 L178 S213	H176-N180 PolarHBondContact CE1-ND2 3.3Å; H176-N180 PolarHBondContact ND1-ND2 2.94Å; H176-N180 PolarHBondContact NE2-ND2 2.99Å; H176-N180 PolarHBondContact O-N 3.3Å; Q177-N180 PolarHBondContact O-N 3.18Å; L178-N180 VanDerWaalsContact C-N 3.26Å; L178-N180 PolarHBondContact O-N 3.43Å; N180-S213 PolarHBondContact OD1-OG 3.47Å
181	S	97.4	Very high	97.5	Very high	33 Å²	33	62.6 Å²	62.6	23%	0.231	32%	0.32	C	S	.	.	S	Bend	trans	-73.1	156.7	177.4	68.7	0	0	0	0	112.3	L178 M179 V183 V184 S185	L178-S181 VanDerWaalsContact O-CB 3.24Å; L178-S181 WeakPolarHBondContact O-CB 3.42Å; L178-S181 PolarHBondContact O-N 3.34Å; L178-S181 VanDerWaalsContact O-N 3.11Å; L178-S181 PolarHBondContact O-OG 2.99Å; M179-S181 PolarHBondContact O-N 3.19Å; S181-V183 PolarHBondContact O-N 2.58Å; S181-V184 PolarHBondContact O-N 3Å; S181-S185 PolarHBondContact O-N 3.29Å; S181-S185 VanDerWaalsContact O-N 3.09Å; S181-S185 PolarHBondContact O-OG 3.41Å; S181-S185 VanDerWaalsContact O-OG 3.06Å
182	S	96.9	Very high	97.5	Very high	82 Å²	82	68 Å²	68	57%	0.573	34%	0.34	S	S	*	.	H	α-helix	trans	-58.4	-35.1	177.2	56.4	0	0	0	0	112.7	V184 S185 Q186	S182-V184 PolarHBondContact O-N 3.49Å; S182-S185 PolarHBondContact O-N 3.39Å; S182-Q186 WeakPolarHBondContact O-CB 3.35Å; S182-Q186 WeakPolarHBondContact O-CG 3.41Å; S182-Q186 PolarHBondContact O-N 2.96Å
183	V	96.1	Very high	97.5	Very high	98 Å²	98	68.5 Å²	68.5	59%	0.594	35%	0.346	S	S	*	.	H	α-helix	trans	-62	-42.7	178.6	178.9	0	0	0	0	111.5	S181 K187	S181-V183 PolarHBondContact O-N 2.58Å; V183-K187 PolarHBondContact O-N 2.98Å; V183-K187 VanDerWaalsContact O-N 3.16Å
184	V	97.9	Very high	97.5	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.006	33%	0.327	C	S	.	.	H	α-helix	trans	-71.7	-41.8	178.7	179.6	0	0	0	0	110.3	L178 M179 S181 S182 Q186 K187 A188 F216 I259	L178-V184 VanDerWaalsContact O-CG2 3.32Å; L178-V184 WeakPolarHBondContact O-CG2 3.28Å; M179-V184 HydrophobicContact CE-CG1 4.24Å; M179-V184 VanDerWaalsContact O-CB 3.25Å; M179-V184 WeakPolarHBondContact O-CB 3.32Å; M179-V184 VanDerWaalsContact O-CG1 3.26Å; M179-V184 WeakPolarHBondContact O-CG1 3.49Å; M179-V184 HydrophobicContact SD-CG1 4.25Å; S181-V184 PolarHBondContact O-N 3Å; S182-V184 PolarHBondContact O-N 3.49Å; V184-Q186 PolarHBondContact O-N 2.82Å; V184-K187 WeakPolarHBondContact O-CB 3.34Å; V184-K187 PolarHBondContact O-N 2.92Å; V184-K187 VanDerWaalsContact O-N 3.15Å; V184-A188 PolarHBondContact O-N 3.41Å; V184-F216 HydrophobicContact CG1-CD2 3.98Å; V184-F216 HydrophobicContact CG1-CE2 3.65Å; V184-I259 HydrophobicContact CG2-CD1 4.19Å
185	S	97.3	Very high	97.6	Very high	35 Å²	35	61.2 Å²	61.2	25%	0.245	32%	0.316	C	S	.	.	H	α-helix	trans	-63.2	-40.9	178.2	-52.7	0	0	0	0	112.2	S181 S182 K187 A188 N189 S211	S181-S185 PolarHBondContact O-N 3.29Å; S181-S185 VanDerWaalsContact O-N 3.09Å; S181-S185 PolarHBondContact O-OG 3.41Å; S181-S185 VanDerWaalsContact O-OG 3.06Å; S182-S185 PolarHBondContact O-N 3.39Å; S185-K187 VanDerWaalsContact C-N 3.34Å; S185-K187 PolarHBondContact O-N 3.25Å; S185-A188 WeakPolarHBondContact O-CB 3.49Å; S185-A188 PolarHBondContact O-N 3.49Å; S185-N189 PolarHBondContact O-N 2.99Å; S185-S211 WeakPolarHBondContact CA-O 3.22Å
186	Q	97.1	Very high	97.5	Very high	125 Å²	125	63 Å²	63	58%	0.584	33%	0.326	S	S	*	.	H	α-helix	trans	-61.6	-42.1	172.6	-75.7	171.7	-1.6	0	0	111.6	S182 V184 N189 I190	S182-Q186 WeakPolarHBondContact O-CB 3.35Å; S182-Q186 WeakPolarHBondContact O-CG 3.41Å; S182-Q186 PolarHBondContact O-N 2.96Å; V184-Q186 PolarHBondContact O-N 2.82Å; Q186-N189 PolarHBondContact O-N 3.32Å; Q186-I190 WeakPolarHBondContact O-CG1 3.38Å; Q186-I190 PolarHBondContact O-N 3.15Å
187	K	97.9	Very high	97.5	Very high	74 Å²	74	61.4 Å²	61.4	32%	0.322	32%	0.321	S	S	.	.	H	α-helix	trans	-66.4	-37.6	176.7	-170	171.5	171.7	49.7	0	112.3	V183 V184 S185 I190 L191 F216 Y255	V183-K187 PolarHBondContact O-N 2.98Å; V183-K187 VanDerWaalsContact O-N 3.16Å; V184-K187 WeakPolarHBondContact O-CB 3.34Å; V184-K187 PolarHBondContact O-N 2.92Å; V184-K187 VanDerWaalsContact O-N 3.15Å; S185-K187 VanDerWaalsContact C-N 3.34Å; S185-K187 PolarHBondContact O-N 3.25Å; K187-I190 PolarHBondContact O-N 3.02Å; K187-L191 PolarHBondContact O-N 3.35Å; K187-F216 HydrophobicContact CB-CZ 4.15Å; K187-F216 HydrophobicContact CD-CZ 4.36Å; K187-F216 HydrophobicContact CG-CZ 3.97Å; K187-Y255 HydrophobicContact CD-CD1 4.33Å; K187-Y255 HydrophobicContact CD-CD2 4.1Å; K187-Y255 HydrophobicContact CD-CE1 3.95Å; K187-Y255 HydrophobicContact CD-CE2 3.71Å; K187-Y255 HydrophobicContact CD-CG 4.4Å
188	A	98.1	Very high	97.5	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.7	-45.7	173	0	0	0	0	0	110.8	V184 S185 I190 L191 R192 F195 S211 F216	V184-A188 PolarHBondContact O-N 3.41Å; S185-A188 WeakPolarHBondContact O-CB 3.49Å; S185-A188 PolarHBondContact O-N 3.49Å; A188-I190 VanDerWaalsContact C-N 3.31Å; A188-I190 PolarHBondContact O-N 3.44Å; A188-L191 CarbonylContact O-C 3.1Å; A188-L191 WeakPolarHBondContact O-CA 3.47Å; A188-L191 PolarHBondContact O-N 3.48Å; A188-R192 PolarHBondContact O-N 3.31Å; A188-F195 HydrophobicContact CB-CE2 4.16Å; A188-F195 WeakPolarHBondContact O-CE2 3.43Å; A188-S211 WeakPolarHBondContact CB-O 3.36Å; A188-F216 HydrophobicContact CB-CD2 4.48Å; A188-F216 HydrophobicContact CB-CE2 3.72Å; A188-F216 HydrophobicContact CB-CZ 4.19Å
189	N	97.2	Very high	97.5	Very high	84 Å²	84	57.1 Å²	57.1	45%	0.449	30%	0.3	S	S	.	.	H	α-helix	trans	-60.4	-37.4	177.5	-174.3	55	0	0	0	113	S185 Q186 L191 R192	S185-N189 PolarHBondContact O-N 2.99Å; Q186-N189 PolarHBondContact O-N 3.32Å; N189-L191 PolarHBondContact O-N 3.19Å; N189-R192 WeakPolarHBondContact O-CB 3.4Å; N189-R192 WeakPolarHBondContact O-CG 3.42Å; N189-R192 PolarHBondContact O-N 3.44Å
190	I	97.2	Very high	97.4	Very high	137 Å²	137	65.2 Å²	65.2	70%	0.703	34%	0.337	S	S	*	.	H	α-helix	trans	-61.5	-33.2	173.7	-69.2	166.2	0	0	0	111.5	Q186 K187 A188	Q186-I190 WeakPolarHBondContact O-CG1 3.38Å; Q186-I190 PolarHBondContact O-N 3.15Å; K187-I190 PolarHBondContact O-N 3.02Å; A188-I190 VanDerWaalsContact C-N 3.31Å; A188-I190 PolarHBondContact O-N 3.44Å
191	L	97.7	Very high	97.4	Very high	24 Å²	24	62.3 Å²	62.3	13%	0.126	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	7.4	-176.9	-65.7	173	0	0	0	113.8	K187 A188 N189 N193 F194 F195 F216 L252	K187-L191 PolarHBondContact O-N 3.35Å; A188-L191 CarbonylContact O-C 3.1Å; A188-L191 WeakPolarHBondContact O-CA 3.47Å; A188-L191 PolarHBondContact O-N 3.48Å; N189-L191 PolarHBondContact O-N 3.19Å; L191-N193 VanDerWaalsContact C-N 3.33Å; L191-N193 PolarHBondContact O-N 2.96Å; L191-F194 WeakPolarHBondContact O-CA 3.34Å; L191-F194 WeakPolarHBondContact O-CB 3.48Å; L191-F194 PolarHBondContact O-N 3.37Å; L191-F195 HydrophobicContact CB-CD2 4.39Å; L191-F195 HydrophobicContact CB-CE1 4.15Å; L191-F195 HydrophobicContact CB-CE2 3.88Å; L191-F195 HydrophobicContact CB-CZ 3.74Å; L191-F195 HydrophobicContact CD1-CZ 4.19Å; L191-F195 PolarHBondContact O-N 2.04Å; L191-F216 HydrophobicContact CD1-CE1 3.74Å; L191-F216 HydrophobicContact CD1-CZ 4.24Å; L191-L252 HydrophobicContact CD1-CD2 3.74Å
192	R	97.7	Very high	97.4	Very high	124 Å²	124	60.8 Å²	60.8	47%	0.468	31%	0.312	S	S	.	.	H	α-helix	trans	-48	-49.1	-175.9	60.6	172.9	-80.4	158.4	0.5	114	A188 N189 F194 F195 D196 R210	A188-R192 PolarHBondContact O-N 3.31Å; N189-R192 WeakPolarHBondContact O-CB 3.4Å; N189-R192 WeakPolarHBondContact O-CG 3.42Å; N189-R192 PolarHBondContact O-N 3.44Å; R192-F194 VanDerWaalsContact C-N 3.26Å; R192-F194 PolarHBondContact O-N 3.04Å; R192-F195 WeakPolarHBondContact O-CB 3.21Å; R192-F195 PolarHBondContact O-N 3.35Å; R192-F195 VanDerWaalsContact O-N 3.16Å; R192-D196 PolarHBondContact O-N 3.03Å; R192-R210 HydrophobicContact CB-CB 3.88Å; R192-R210 HydrophobicContact CB-CG 4.38Å
193	N	97.3	Very high	97.3	Very high	114 Å²	114	59 Å²	59	61%	0.61	31%	0.307	S	S	*	.	H	α-helix	trans	-69.4	-30	-176.4	-65.1	-12.7	0	0	0	111.2	L191 L197	L191-N193 VanDerWaalsContact C-N 3.33Å; L191-N193 PolarHBondContact O-N 2.96Å; N193-L197 WeakPolarHBondContact O-CB 3.44Å; N193-L197 PolarHBondContact O-N 3.49Å
194	F	98.2	Very high	97.1	Very high	7 Å²	7	56.5 Å²	56.5	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-71.8	-40.4	174.7	-172.6	-116.4	0	0	0	110.9	L191 R192 D196 L197 L198 V245 Q248 L252	L191-F194 WeakPolarHBondContact O-CA 3.34Å; L191-F194 WeakPolarHBondContact O-CB 3.48Å; L191-F194 PolarHBondContact O-N 3.37Å; R192-F194 VanDerWaalsContact C-N 3.26Å; R192-F194 PolarHBondContact O-N 3.04Å; F194-D196 VanDerWaalsContact C-N 3.35Å; F194-L197 HydrophobicContact CD2-CD2 4.26Å; F194-L197 HydrophobicContact CE2-CD2 4.43Å; F194-L197 WeakPolarHBondContact O-CB 3.02Å; F194-L197 PolarHBondContact O-N 3.06Å; F194-L198 HydrophobicContact CD1-CD1 4.09Å; F194-L198 HydrophobicContact CD1-CG 4.39Å; F194-L198 HydrophobicContact CE1-CD1 3.64Å; F194-L198 HydrophobicContact CE1-CD2 4.41Å; F194-L198 HydrophobicContact CE1-CG 4.08Å; F194-L198 HydrophobicContact CE2-CD2 4.25Å; F194-L198 HydrophobicContact CE2-CG 4.42Å; F194-L198 HydrophobicContact CZ-CD1 4.04Å; F194-L198 HydrophobicContact CZ-CD2 3.97Å; F194-L198 HydrophobicContact CZ-CG 4.1Å; F194-L198 WeakPolarHBondContact O-CG 3.47Å; F194-L198 PolarHBondContact O-N 3.26Å; F194-V245 HydrophobicContact CE2-CB 4.38Å; F194-V245 HydrophobicContact CE2-CG1 4.13Å; F194-V245 HydrophobicContact CE2-CG2 4.19Å; F194-V245 HydrophobicContact CZ-CG1 4.33Å; F194-Q248 HydrophobicContact CD1-CB 4.33Å; F194-Q248 HydrophobicContact CD2-CB 4.2Å; F194-Q248 HydrophobicContact CD2-CG 4.48Å; F194-Q248 HydrophobicContact CE1-CB 3.93Å; F194-Q248 HydrophobicContact CE2-CB 3.79Å; F194-Q248 HydrophobicContact CE2-CG 4.43Å; F194-Q248 HydrophobicContact CG-CB 4.46Å; F194-Q248 HydrophobicContact CZ-CB 3.64Å; F194-L252 HydrophobicContact CD1-CD1 4.05Å; F194-L252 HydrophobicContact CE1-CD1 3.63Å
195	F	98.3	Very high	96.9	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.4	-42.4	172.1	-59	-33.7	0	0	0	112	A188 L191 R192 L197 L198 E199 F206 N215 F216 A219	A188-F195 HydrophobicContact CB-CE2 4.16Å; A188-F195 WeakPolarHBondContact O-CE2 3.43Å; L191-F195 HydrophobicContact CB-CD2 4.39Å; L191-F195 HydrophobicContact CB-CE1 4.15Å; L191-F195 HydrophobicContact CB-CE2 3.88Å; L191-F195 HydrophobicContact CB-CZ 3.74Å; L191-F195 HydrophobicContact CD1-CZ 4.19Å; L191-F195 PolarHBondContact O-N 2.04Å; R192-F195 WeakPolarHBondContact O-CB 3.21Å; R192-F195 PolarHBondContact O-N 3.35Å; R192-F195 VanDerWaalsContact O-N 3.16Å; F195-L197 VanDerWaalsContact C-N 3.35Å; F195-L197 PolarHBondContact O-N 3.1Å; F195-L198 PolarHBondContact O-N 2.99Å; F195-E199 PolarHBondContact O-N 3.43Å; F195-F206 HydrophobicContact CB-CD1 3.99Å; F195-F206 HydrophobicContact CB-CE1 3.94Å; F195-F206 AromaticContact CD1-CE1 3.85Å; F195-F206 HydrophobicContact CD1-CE1 3.85Å; F195-F206 HydrophobicContact CG-CD1 4.35Å; F195-F206 HydrophobicContact CG-CE1 4.12Å; F195-N215 HydrophobicContact CD1-CB 4.33Å; F195-N215 HydrophobicContact CD2-CB 3.55Å; F195-N215 HydrophobicContact CE1-CB 4.24Å; F195-N215 HydrophobicContact CE2-CB 3.43Å; F195-N215 VanDerWaalsContact CE2-CB 3.43Å; F195-N215 HydrophobicContact CG-CB 4.01Å; F195-N215 HydrophobicContact CZ-CB 3.8Å; F195-F216 HydrophobicContact CZ-CD1 4.27Å; F195-F216 HydrophobicContact CZ-CE1 4.24Å; F195-A219 HydrophobicContact CD1-CB 4.01Å; F195-A219 HydrophobicContact CE1-CB 3.71Å
196	D	97.3	Very high	96.9	Very high	56 Å²	56	60.5 Å²	60.5	30%	0.299	31%	0.309	S	S	.	.	H	α-helix	trans	-59.2	-44.6	174.8	-66.2	-32.8	0	0	0	112	R192 F194 E199 H200 R210	R192-D196 PolarHBondContact O-N 3.03Å; F194-D196 VanDerWaalsContact C-N 3.35Å; D196-E199 PolarHBondContact O-N 2.84Å; D196-H200 WeakPolarHBondContact O-CB 3.25Å; D196-H200 PolarHBondContact O-N 3.2Å; D196-R210 IonicContact OD1-CZ 3.2Å; D196-R210 IonicContact OD1-NE 2.76Å; D196-R210 PolarHBondContact OD1-NE 3.33Å; D196-R210 IonicContact OD1-NH2 2.72Å; D196-R210 PolarHBondContact OD1-NH2 2.86Å
197	L	97.7	Very high	96.8	Very high	67 Å²	67	56.5 Å²	56.5	35%	0.351	29%	0.294	S	S	.	.	H	α-helix	trans	-59.9	-47.3	175.2	175.2	66.5	0	0	0	111.5	N193 F194 F195 H200 T201 V245	N193-L197 WeakPolarHBondContact O-CB 3.44Å; N193-L197 PolarHBondContact O-N 3.49Å; F194-L197 HydrophobicContact CD2-CD2 4.26Å; F194-L197 HydrophobicContact CE2-CD2 4.43Å; F194-L197 WeakPolarHBondContact O-CB 3.02Å; F194-L197 PolarHBondContact O-N 3.06Å; F195-L197 VanDerWaalsContact C-N 3.35Å; F195-L197 PolarHBondContact O-N 3.1Å; L197-H200 PolarHBondContact O-N 3.11Å; L197-T201 HydrophobicContact CD1-CG2 3.88Å; L197-T201 WeakPolarHBondContact O-CB 3.5Å; L197-T201 VanDerWaalsContact O-CG2 3.26Å; L197-T201 WeakPolarHBondContact O-CG2 3.06Å; L197-T201 PolarHBondContact O-N 3.5Å; L197-T201 PolarHBondContact O-OG1 3.49Å; L197-V245 HydrophobicContact CD2-CG2 3.83Å
198	L	98.2	Very high	96.6	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.7	-42.8	-179.4	-69.1	-172.9	0	0	0	111.8	F194 F195 T201 T202 F206 A219 I222 W240	F194-L198 HydrophobicContact CD1-CD1 4.09Å; F194-L198 HydrophobicContact CD1-CG 4.39Å; F194-L198 HydrophobicContact CE1-CD1 3.64Å; F194-L198 HydrophobicContact CE1-CD2 4.41Å; F194-L198 HydrophobicContact CE1-CG 4.08Å; F194-L198 HydrophobicContact CE2-CD2 4.25Å; F194-L198 HydrophobicContact CE2-CG 4.42Å; F194-L198 HydrophobicContact CZ-CD1 4.04Å; F194-L198 HydrophobicContact CZ-CD2 3.97Å; F194-L198 HydrophobicContact CZ-CG 4.1Å; F194-L198 WeakPolarHBondContact O-CG 3.47Å; F194-L198 PolarHBondContact O-N 3.26Å; F195-L198 PolarHBondContact O-N 2.99Å; L198-T201 PolarHBondContact O-N 3.41Å; L198-T201 PolarHBondContact O-OG1 2.84Å; L198-T202 VanDerWaalsContact O-CB 3.3Å; L198-T202 WeakPolarHBondContact O-CB 3.11Å; L198-T202 WeakPolarHBondContact O-CG2 3.29Å; L198-T202 PolarHBondContact O-N 3.33Å; L198-T202 PolarHBondContact O-OG1 3.11Å; L198-F206 HydrophobicContact CB-CE2 3.97Å; L198-F206 HydrophobicContact CB-CZ 3.67Å; L198-F206 HydrophobicContact CD1-CZ 4.18Å; L198-A219 HydrophobicContact CD1-CB 3.98Å; L198-I222 HydrophobicContact CB-CD1 4.11Å; L198-I222 HydrophobicContact CD1-CD1 4.46Å; L198-I222 HydrophobicContact CD1-CG2 4.25Å; L198-I222 HydrophobicContact CD2-CG2 3.93Å; L198-W240 HydrophobicContact CD2-CZ3 4.12Å
199	E	97.4	Very high	96.5	Very high	53 Å²	53	65.3 Å²	65.3	25%	0.248	34%	0.343	C	S	.	.	H	α-helix	trans	-57.9	-51.7	175.6	178.3	151.9	-134.7	0	0	111	F195 D196 T201 G203 Y204 T205 F206 R210	F195-E199 PolarHBondContact O-N 3.43Å; D196-E199 PolarHBondContact O-N 2.84Å; E199-T201 VanDerWaalsContact C-N 3.3Å; E199-T201 PolarHBondContact O-N 3.38Å; E199-G203 PolarHBondContact O-N 3.38Å; E199-Y204 WeakPolarHBondContact CG-O 3.26Å; E199-T205 WeakPolarHBondContact OE1-CA 3.25Å; E199-F206 HydrophobicContact CB-CD2 3.57Å; E199-F206 HydrophobicContact CB-CE2 4.04Å; E199-F206 HydrophobicContact CB-CG 4.3Å; E199-F206 HydrophobicContact CG-CD2 4.21Å; E199-F206 PolarHBondContact OE1-N 3.06Å; E199-R210 IonicContact OE2-CZ 3.2Å; E199-R210 IonicContact OE2-NH1 2.98Å; E199-R210 PolarHBondContact OE2-NH1 3.17Å; E199-R210 IonicContact OE2-NH2 2.61Å; E199-R210 PolarHBondContact OE2-NH2 3.3Å
200	H	96.6	Very high	96.4	Very high	171 Å²	171	63.2 Å²	63.2	79%	0.792	33%	0.329	S	S	*	.	H	α-helix	trans	-62.5	-35.5	-177.5	-175	68.9	0	0	0	113.1	D196 L197	D196-H200 WeakPolarHBondContact O-CB 3.25Å; D196-H200 PolarHBondContact O-N 3.2Å; L197-H200 PolarHBondContact O-N 3.11Å
201	T	97.1	Very high	96.2	Very high	24 Å²	24	58.6 Å²	58.6	15%	0.147	31%	0.308	C	S	.	.	H	α-helix	trans	-89.7	-29.8	-173.9	53.7	0	0	0	0	114	T70 L197 L198 E199 W240	T70-T201 PolarHBondContact OG1-O 2.97Å; L197-T201 HydrophobicContact CD1-CG2 3.88Å; L197-T201 WeakPolarHBondContact O-CB 3.5Å; L197-T201 VanDerWaalsContact O-CG2 3.26Å; L197-T201 WeakPolarHBondContact O-CG2 3.06Å; L197-T201 PolarHBondContact O-N 3.5Å; L197-T201 PolarHBondContact O-OG1 3.49Å; L198-T201 PolarHBondContact O-N 3.41Å; L198-T201 PolarHBondContact O-OG1 2.84Å; E199-T201 VanDerWaalsContact C-N 3.3Å; E199-T201 PolarHBondContact O-N 3.38Å; T201-W240 HydrophobicContact CG2-CB 3.78Å; T201-W240 HydrophobicContact CG2-CD2 4.05Å; T201-W240 HydrophobicContact CG2-CG 3.69Å
202	T	96.8	Very high	96.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-98.9	-18	-173.5	66	0	0	0	0	114.4	F68 P69 T70 L198 Y204 I222 W240	F68-T202 HydrophobicContact CD1-CG2 4.4Å; F68-T202 HydrophobicContact CD2-CG2 3.93Å; F68-T202 HydrophobicContact CE1-CG2 4.25Å; F68-T202 HydrophobicContact CE2-CG2 3.78Å; F68-T202 HydrophobicContact CG-CG2 4.21Å; F68-T202 HydrophobicContact CZ-CG2 3.91Å; P69-T202 WeakPolarHBondContact CD-O 3.46Å; T70-T202 PolarHBondContact N-O 3.2Å; T70-T202 VanDerWaalsContact OG1-CA 3.24Å; T70-T202 WeakPolarHBondContact OG1-CA 3.23Å; T70-T202 PolarHBondContact OG1-O 2.88Å; L198-T202 VanDerWaalsContact O-CB 3.3Å; L198-T202 WeakPolarHBondContact O-CB 3.11Å; L198-T202 WeakPolarHBondContact O-CG2 3.29Å; L198-T202 PolarHBondContact O-N 3.33Å; L198-T202 PolarHBondContact O-OG1 3.11Å; T202-Y204 PolarHBondContact O-N 3.34Å; T202-Y204 WeakPolarHBondContact OG1-CB 3.35Å; T202-Y204 PolarHBondContact OG1-N 3.49Å; T202-I222 HydrophobicContact CG2-CD1 4.06Å; T202-I222 HydrophobicContact CG2-CG1 4.18Å; T202-I222 HydrophobicContact CG2-CG2 3.67Å; T202-I222 WeakPolarHBondContact OG1-CD1 3.41Å; T202-W240 HydrophobicContact CG2-CH2 3.96Å; T202-W240 HydrophobicContact CG2-CZ2 4.13Å
203	G	93.4	Very high	95.9	Very high	45 Å²	45	53 Å²	53	46%	0.464	29%	0.29	S	S	.	.			trans	70.4	13.3	-172	0	0	0	0	0	113.4	E199	E199-G203 PolarHBondContact O-N 3.38Å
204	Y	93.6	Very high	95.8	Very high	45 Å²	45	51.1 Å²	51.1	18%	0.176	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-84.5	134.9	175.9	-153.3	-66.2	0	0	0	109.8	F68 E199 T202 F206 T218 R221 I222	F68-Y204 HydrophobicContact CB-CD2 4.21Å; E199-Y204 WeakPolarHBondContact CG-O 3.26Å; T202-Y204 PolarHBondContact O-N 3.34Å; T202-Y204 WeakPolarHBondContact OG1-CB 3.35Å; T202-Y204 PolarHBondContact OG1-N 3.49Å; Y204-F206 WeakPolarHBondContact O-CD2 3.13Å; Y204-T218 HydrophobicContact CD1-CG2 3.11Å; Y204-T218 HydrophobicContact CD2-CG2 4.45Å; Y204-T218 HydrophobicContact CE1-CG2 3.39Å; Y204-T218 HydrophobicContact CG-CG2 3.71Å; Y204-R221 PolarHBondContact OH-NE 2.68Å; Y204-R221 PolarHBondContact OH-NH1 3.29Å; Y204-I222 HydrophobicContact CD2-CG1 4.45Å; Y204-I222 HydrophobicContact CG-CD1 4.31Å
205	T	93.4	Very high	95.8	Very high	113 Å²	113	50.8 Å²	50.8	69%	0.693	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-76.1	123.9	176.1	-50.4	0	0	0	0	111.9	E199	E199-T205 WeakPolarHBondContact OE1-CA 3.25Å
206	F	96.7	Very high	95.8	Very high	8 Å²	8	50.8 Å²	50.8	4%	0.035	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-101.8	154.3	171.4	-79	-111.7	0	0	0	110.7	F195 L198 E199 Y204 N215 T218 A219 I222	F195-F206 HydrophobicContact CB-CD1 3.99Å; F195-F206 HydrophobicContact CB-CE1 3.94Å; F195-F206 AromaticContact CD1-CE1 3.85Å; F195-F206 HydrophobicContact CD1-CE1 3.85Å; F195-F206 HydrophobicContact CG-CD1 4.35Å; F195-F206 HydrophobicContact CG-CE1 4.12Å; L198-F206 HydrophobicContact CB-CE2 3.97Å; L198-F206 HydrophobicContact CB-CZ 3.67Å; L198-F206 HydrophobicContact CD1-CZ 4.18Å; E199-F206 HydrophobicContact CB-CD2 3.57Å; E199-F206 HydrophobicContact CB-CE2 4.04Å; E199-F206 HydrophobicContact CB-CG 4.3Å; E199-F206 HydrophobicContact CG-CD2 4.21Å; E199-F206 PolarHBondContact OE1-N 3.06Å; Y204-F206 WeakPolarHBondContact O-CD2 3.13Å; F206-N215 HydrophobicContact CD1-CB 4.19Å; F206-N215 WeakPolarHBondContact CD1-OD1 3.47Å; F206-T218 HydrophobicContact CD1-CG2 3.94Å; F206-T218 HydrophobicContact CD2-CG2 3.6Å; F206-T218 HydrophobicContact CE1-CG2 3.67Å; F206-T218 HydrophobicContact CE2-CG2 3.31Å; F206-T218 HydrophobicContact CG-CG2 3.93Å; F206-T218 HydrophobicContact CZ-CG2 3.37Å; F206-A219 HydrophobicContact CE1-CB 4.23Å; F206-A219 HydrophobicContact CZ-CB 4.48Å; F206-I222 HydrophobicContact CE2-CD1 3.63Å; F206-I222 HydrophobicContact CZ-CD1 3.69Å
207	P	95	Very high	95.8	Very high	40 Å²	40	52.1 Å²	52.1	26%	0.26	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-54	141.3	168.9	-24.1	32.2	0	0	0	112.2	D209 R210 D214 N215	P207-D209 VanDerWaalsContact C-N 3.3Å; P207-D209 PolarHBondContact O-N 3.46Å; P207-R210 PolarHBondContact O-NH1 3.34Å; P207-D214 HydrophobicContact CG-CB 3.81Å; P207-N215 WeakPolarHBondContact CD-OD1 3.29Å
208	I	94	Very high	95.8	Very high	171 Å²	171	49.7 Å²	49.7	88%	0.877	27%	0.268	S	S	*	.	S	Bend	trans	-58.1	-45.2	178.3	-60.3	174.4	0	0	0	110.5	R210	I208-R210 PolarHBondContact O-N 3.09Å
209	D	95.8	Very high	95.8	Very high	89 Å²	89	49.7 Å²	49.7	48%	0.476	27%	0.268	S	S	.	.			trans	-74.6	105.6	174	177.5	12.5	0	0	0	110.5	P207 S211 S212 N215	P207-D209 VanDerWaalsContact C-N 3.3Å; P207-D209 PolarHBondContact O-N 3.46Å; D209-S211 VanDerWaalsContact CG-OG 3.26Å; D209-S211 PolarHBondContact O-N 2.84Å; D209-S211 WeakPolarHBondContact OD1-CA 3.24Å; D209-S211 WeakPolarHBondContact OD1-CB 3.32Å; D209-S211 PolarHBondContact OD1-N 3.27Å; D209-S211 PolarHBondContact OD1-OG 3.19Å; D209-S211 PolarHBondContact OD2-OG 3.26Å; D209-S211 VanDerWaalsContact OD2-OG 3.14Å; D209-S212 VanDerWaalsContact O-CB 3.24Å; D209-S212 WeakPolarHBondContact O-CB 3.5Å; D209-S212 PolarHBondContact O-N 3.48Å; D209-S212 VanDerWaalsContact O-N 3.11Å; D209-N215 PolarHBondContact O-ND2 2.93Å
210	R	94.5	Very high	95.8	Very high	40 Å²	40	47.5 Å²	47.5	15%	0.151	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.7	177.4	-61.7	-50.7	-165.4	-139.6	-0.9	114.3	R192 D196 E199 P207 I208 S212 N215	R192-R210 HydrophobicContact CB-CB 3.88Å; R192-R210 HydrophobicContact CB-CG 4.38Å; D196-R210 IonicContact OD1-CZ 3.2Å; D196-R210 IonicContact OD1-NE 2.76Å; D196-R210 PolarHBondContact OD1-NE 3.33Å; D196-R210 IonicContact OD1-NH2 2.72Å; D196-R210 PolarHBondContact OD1-NH2 2.86Å; E199-R210 IonicContact OE2-CZ 3.2Å; E199-R210 IonicContact OE2-NH1 2.98Å; E199-R210 PolarHBondContact OE2-NH1 3.17Å; E199-R210 IonicContact OE2-NH2 2.61Å; E199-R210 PolarHBondContact OE2-NH2 3.3Å; P207-R210 PolarHBondContact O-NH1 3.34Å; I208-R210 PolarHBondContact O-N 3.09Å; R210-S212 VanDerWaalsContact C-N 3.31Å; R210-N215 PolarHBondContact O-ND2 3.13Å
211	S	93.4	Very high	95.9	Very high	39 Å²	39	44.5 Å²	44.5	27%	0.273	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-13.4	173.1	77.4	0	0	0	0	112.6	S185 A188 D209 S213	S185-S211 WeakPolarHBondContact CA-O 3.22Å; A188-S211 WeakPolarHBondContact CB-O 3.36Å; D209-S211 VanDerWaalsContact CG-OG 3.26Å; D209-S211 PolarHBondContact O-N 2.84Å; D209-S211 WeakPolarHBondContact OD1-CA 3.24Å; D209-S211 WeakPolarHBondContact OD1-CB 3.32Å; D209-S211 PolarHBondContact OD1-N 3.27Å; D209-S211 PolarHBondContact OD1-OG 3.19Å; D209-S211 PolarHBondContact OD2-OG 3.26Å; D209-S211 VanDerWaalsContact OD2-OG 3.14Å; S211-S213 PolarHBondContact O-N 3.15Å
212	S	95.7	Very high	95.9	Very high	26 Å²	26	43.4 Å²	43.4	18%	0.182	23%	0.232	C	C	.	.	S	Bend	trans	-61.1	135.5	175	173.7	0	0	0	0	111.2	D209 R210 D214 N215	D209-S212 VanDerWaalsContact O-CB 3.24Å; D209-S212 WeakPolarHBondContact O-CB 3.5Å; D209-S212 PolarHBondContact O-N 3.48Å; D209-S212 VanDerWaalsContact O-N 3.11Å; R210-S212 VanDerWaalsContact C-N 3.31Å; S212-D214 PolarHBondContact O-N 3.16Å; S212-D214 VanDerWaalsContact O-N 3.15Å; S212-D214 PolarHBondContact OG-N 3.06Å; S212-D214 VanDerWaalsContact OG-N 3.15Å; S212-N215 PolarHBondContact O-N 3.25Å; S212-N215 PolarHBondContact O-ND2 3.26Å
213	S	93.8	Very high	96	Very high	4 Å²	4	43.4 Å²	43.4	3%	0.028	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.3	174.3	58.9	0	0	0	0	113.3	M179 N180 S211 N215 F216	M179-S213 WeakPolarHBondContact O-CB 3.4Å; M179-S213 PolarHBondContact O-OG 3.33Å; N180-S213 PolarHBondContact OD1-OG 3.47Å; S211-S213 PolarHBondContact O-N 3.15Å; S213-N215 PolarHBondContact O-N 2.9Å; S213-F216 WeakPolarHBondContact O-CB 3.41Å; S213-F216 WeakPolarHBondContact O-CD2 3.23Å; S213-F216 PolarHBondContact O-N 3.42Å; S213-F216 VanDerWaalsContact O-N 3.12Å
214	D	95.6	Very high	96.2	Very high	76 Å²	76	41.7 Å²	41.7	41%	0.406	21%	0.213	S	C	.	.	H	α-helix	trans	-67.2	-23.8	-179.5	-69.4	-26.2	0	0	0	113.2	P207 S212 F216 Y217	P207-D214 HydrophobicContact CG-CB 3.81Å; S212-D214 PolarHBondContact O-N 3.16Å; S212-D214 VanDerWaalsContact O-N 3.15Å; S212-D214 PolarHBondContact OG-N 3.06Å; S212-D214 VanDerWaalsContact OG-N 3.15Å; D214-F216 PolarHBondContact O-N 2.95Å; D214-Y217 HydrophobicContact CB-CD2 4.48Å; D214-Y217 PolarHBondContact O-N 2.79Å; D214-Y217 VanDerWaalsContact O-N 3.08Å
215	N	97.7	Very high	96.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-56.5	-31.8	172.7	-68.8	-79.6	0	0	0	111.9	F195 F206 P207 D209 R210 S212 S213 Y217 T218 A219	F195-N215 HydrophobicContact CD1-CB 4.33Å; F195-N215 HydrophobicContact CD2-CB 3.55Å; F195-N215 HydrophobicContact CE1-CB 4.24Å; F195-N215 HydrophobicContact CE2-CB 3.43Å; F195-N215 VanDerWaalsContact CE2-CB 3.43Å; F195-N215 HydrophobicContact CG-CB 4.01Å; F195-N215 HydrophobicContact CZ-CB 3.8Å; F206-N215 HydrophobicContact CD1-CB 4.19Å; F206-N215 WeakPolarHBondContact CD1-OD1 3.47Å; P207-N215 WeakPolarHBondContact CD-OD1 3.29Å; D209-N215 PolarHBondContact O-ND2 2.93Å; R210-N215 PolarHBondContact O-ND2 3.13Å; S212-N215 PolarHBondContact O-N 3.25Å; S212-N215 PolarHBondContact O-ND2 3.26Å; S213-N215 PolarHBondContact O-N 2.9Å; N215-Y217 PolarHBondContact O-N 3.27Å; N215-T218 PolarHBondContact O-N 2.76Å; N215-A219 WeakPolarHBondContact O-CB 3.24Å; N215-A219 PolarHBondContact O-N 3.07Å
216	F	98.2	Very high	96.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64	-40.1	176.7	-74	-70.7	0	0	0	112.6	M179 V184 K187 A188 L191 F195 S213 D214 T218 A219 W220 L252 Y255	M179-F216 HydrophobicContact CE-CB 4.17Å; M179-F216 HydrophobicContact CE-CD2 4.19Å; V184-F216 HydrophobicContact CG1-CD2 3.98Å; V184-F216 HydrophobicContact CG1-CE2 3.65Å; K187-F216 HydrophobicContact CB-CZ 4.15Å; K187-F216 HydrophobicContact CD-CZ 4.36Å; K187-F216 HydrophobicContact CG-CZ 3.97Å; A188-F216 HydrophobicContact CB-CD2 4.48Å; A188-F216 HydrophobicContact CB-CE2 3.72Å; A188-F216 HydrophobicContact CB-CZ 4.19Å; L191-F216 HydrophobicContact CD1-CE1 3.74Å; L191-F216 HydrophobicContact CD1-CZ 4.24Å; F195-F216 HydrophobicContact CZ-CD1 4.27Å; F195-F216 HydrophobicContact CZ-CE1 4.24Å; S213-F216 WeakPolarHBondContact O-CB 3.41Å; S213-F216 WeakPolarHBondContact O-CD2 3.23Å; S213-F216 PolarHBondContact O-N 3.42Å; S213-F216 VanDerWaalsContact O-N 3.12Å; D214-F216 PolarHBondContact O-N 2.95Å; F216-T218 VanDerWaalsContact C-N 3.34Å; F216-T218 PolarHBondContact O-N 3.36Å; F216-A219 PolarHBondContact O-N 2.87Å; F216-W220 HydrophobicContact CB-CD2 4.31Å; F216-W220 HydrophobicContact CB-CH2 4.06Å; F216-W220 HydrophobicContact CB-CZ2 3.8Å; F216-W220 HydrophobicContact CB-CZ3 4.42Å; F216-W220 HydrophobicContact CD1-CZ2 4.39Å; F216-W220 HydrophobicContact CG-CZ2 4.3Å; F216-W220 WeakPolarHBondContact O-CB 3.16Å; F216-W220 PolarHBondContact O-N 2.95Å; F216-L252 HydrophobicContact CD1-CD2 3.7Å; F216-L252 HydrophobicContact CE1-CD2 3.71Å; F216-Y255 HydrophobicContact CD1-CD1 4.12Å; F216-Y255 HydrophobicContact CD1-CE1 4.12Å; F216-Y255 AromaticContact CE1-CD1 3.86Å; F216-Y255 HydrophobicContact CE1-CD1 3.86Å; F216-Y255 AromaticContact CE1-CE1 3.74Å; F216-Y255 HydrophobicContact CE1-CE1 3.74Å; F216-Y255 HydrophobicContact CE2-CE1 4.28Å; F216-Y255 HydrophobicContact CZ-CD1 4.41Å; F216-Y255 AromaticContact CZ-CE1 3.84Å; F216-Y255 HydrophobicContact CZ-CE1 3.84Å
217	Y	96.8	Very high	96.7	Very high	84 Å²	84	34.3 Å²	34.3	33%	0.329	17%	0.173	S	C	.	.	H	α-helix	trans	-63.2	-43.2	-179.8	-63.8	-67.4	0	0	0	111.4	F175 M179 D214 N215 W220 R221	F175-Y217 HydrophobicContact CE1-CE1 4.31Å; M179-Y217 HydrophobicContact CE-CE2 4.39Å; D214-Y217 HydrophobicContact CB-CD2 4.48Å; D214-Y217 PolarHBondContact O-N 2.79Å; D214-Y217 VanDerWaalsContact O-N 3.08Å; N215-Y217 PolarHBondContact O-N 3.27Å; Y217-W220 AromaticContact CD1-CE3 3.78Å; Y217-W220 HydrophobicContact CD1-CE3 3.78Å; Y217-W220 AromaticContact CD1-CZ3 3.55Å; Y217-W220 HydrophobicContact CD1-CZ3 3.55Å; Y217-W220 HydrophobicContact CE1-CE3 4.32Å; Y217-W220 AromaticContact CE1-CZ3 3.64Å; Y217-W220 HydrophobicContact CE1-CZ3 3.64Å; Y217-W220 HydrophobicContact CG-CE3 4.49Å; Y217-W220 HydrophobicContact CG-CZ3 4.41Å; Y217-R221 WeakPolarHBondContact O-CG 3.44Å; Y217-R221 PolarHBondContact O-N 2.9Å
218	T	97.4	Very high	96.8	Very high	15 Å²	15	33 Å²	33	9%	0.092	16%	0.164	C	C	.	.	H	α-helix	trans	-63.8	-49.9	175.2	-63.3	0	0	0	0	111.2	Y204 F206 N215 F216 W220 R221 I222	Y204-T218 HydrophobicContact CD1-CG2 3.11Å; Y204-T218 HydrophobicContact CD2-CG2 4.45Å; Y204-T218 HydrophobicContact CE1-CG2 3.39Å; Y204-T218 HydrophobicContact CG-CG2 3.71Å; F206-T218 HydrophobicContact CD1-CG2 3.94Å; F206-T218 HydrophobicContact CD2-CG2 3.6Å; F206-T218 HydrophobicContact CE1-CG2 3.67Å; F206-T218 HydrophobicContact CE2-CG2 3.31Å; F206-T218 HydrophobicContact CG-CG2 3.93Å; F206-T218 HydrophobicContact CZ-CG2 3.37Å; N215-T218 PolarHBondContact O-N 2.76Å; F216-T218 VanDerWaalsContact C-N 3.34Å; F216-T218 PolarHBondContact O-N 3.36Å; T218-W220 VanDerWaalsContact C-N 3.31Å; T218-W220 PolarHBondContact O-N 3.4Å; T218-R221 WeakPolarHBondContact O-CB 3.3Å; T218-R221 PolarHBondContact O-N 3.04Å; T218-I222 HydrophobicContact CG2-CD1 3.98Å; T218-I222 PolarHBondContact O-N 3.25Å; T218-I222 VanDerWaalsContact O-N 3.16Å
219	A	98.4	Very high	97	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.5	-39.1	179.6	0	0	0	0	0	112.2	F195 L198 F206 N215 F216 R221 I222 C223 L252	F195-A219 HydrophobicContact CD1-CB 4.01Å; F195-A219 HydrophobicContact CE1-CB 3.71Å; L198-A219 HydrophobicContact CD1-CB 3.98Å; F206-A219 HydrophobicContact CE1-CB 4.23Å; F206-A219 HydrophobicContact CZ-CB 4.48Å; N215-A219 WeakPolarHBondContact O-CB 3.24Å; N215-A219 PolarHBondContact O-N 3.07Å; F216-A219 PolarHBondContact O-N 2.87Å; A219-R221 VanDerWaalsContact C-N 3.3Å; A219-R221 PolarHBondContact O-N 3.43Å; A219-I222 PolarHBondContact O-N 2.93Å; A219-C223 VanDerWaalsContact O-CB 3.3Å; A219-C223 WeakPolarHBondContact O-CB 3.4Å; A219-C223 PolarHBondContact O-N 3.3Å; A219-C223 PolarHBondContact O-SG 3.5Å; A219-C223 VanDerWaalsContact O-SG 3.34Å; A219-L252 HydrophobicContact CB-CD1 3.77Å
220	W	98.2	Very high	97	Very high	7 Å²	7	22.5 Å²	22.5	3%	0.027	11%	0.111	C	C	.	.	H	α-helix	trans	-63.5	-32.4	175.1	-66.9	-25.3	0	0	0	113.6	M179 F216 Y217 T218 D224 L252 Y255 K256 I259	M179-W220 HydrophobicContact CE-CH2 3.82Å; M179-W220 HydrophobicContact CE-CZ3 4.42Å; M179-W220 HydrophobicContact SD-CH2 4.36Å; F216-W220 HydrophobicContact CB-CD2 4.31Å; F216-W220 HydrophobicContact CB-CH2 4.06Å; F216-W220 HydrophobicContact CB-CZ2 3.8Å; F216-W220 HydrophobicContact CB-CZ3 4.42Å; F216-W220 HydrophobicContact CD1-CZ2 4.39Å; F216-W220 HydrophobicContact CG-CZ2 4.3Å; F216-W220 WeakPolarHBondContact O-CB 3.16Å; F216-W220 PolarHBondContact O-N 2.95Å; Y217-W220 AromaticContact CD1-CE3 3.78Å; Y217-W220 HydrophobicContact CD1-CE3 3.78Å; Y217-W220 AromaticContact CD1-CZ3 3.55Å; Y217-W220 HydrophobicContact CD1-CZ3 3.55Å; Y217-W220 HydrophobicContact CE1-CE3 4.32Å; Y217-W220 AromaticContact CE1-CZ3 3.64Å; Y217-W220 HydrophobicContact CE1-CZ3 3.64Å; Y217-W220 HydrophobicContact CG-CE3 4.49Å; Y217-W220 HydrophobicContact CG-CZ3 4.41Å; T218-W220 VanDerWaalsContact C-N 3.31Å; T218-W220 PolarHBondContact O-N 3.4Å; W220-D224 PolarHBondContact O-N 2.93Å; W220-L252 PolarHBondContact NE1-O 3.07Å; W220-Y255 HydrophobicContact CZ2-CD1 4.28Å; W220-K256 HydrophobicContact CB-CD 4.06Å; W220-K256 HydrophobicContact CD2-CB 3.87Å; W220-K256 HydrophobicContact CD2-CD 3.82Å; W220-K256 HydrophobicContact CD2-CG 3.65Å; W220-K256 HydrophobicContact CE3-CD 4.11Å; W220-K256 HydrophobicContact CE3-CG 3.86Å; W220-K256 HydrophobicContact CG-CB 4.15Å; W220-K256 HydrophobicContact CG-CD 3.79Å; W220-K256 HydrophobicContact CG-CG 4.1Å; W220-K256 HydrophobicContact CH2-CG 4.29Å; W220-K256 HydrophobicContact CZ2-CB 3.87Å; W220-K256 HydrophobicContact CZ2-CG 4.1Å; W220-K256 HydrophobicContact CZ3-CG 4.17Å; W220-I259 HydrophobicContact CH2-CG2 4.12Å; W220-I259 HydrophobicContact CZ2-CG2 4.23Å
221	R	97.6	Very high	97.1	Very high	109 Å²	109	24.8 Å²	24.8	41%	0.411	13%	0.126	S	C	.	.	H	α-helix	trans	-71.4	-33	175.7	-70.8	175.6	70.2	165.4	-1.6	112	H66 Y204 Y217 T218 A219 P225	H66-R221 HydrophobicContact CB-CB 4.26Å; H66-R221 WeakPolarHBondContact CB-O 3.49Å; Y204-R221 PolarHBondContact OH-NE 2.68Å; Y204-R221 PolarHBondContact OH-NH1 3.29Å; Y217-R221 WeakPolarHBondContact O-CG 3.44Å; Y217-R221 PolarHBondContact O-N 2.9Å; T218-R221 WeakPolarHBondContact O-CB 3.3Å; T218-R221 PolarHBondContact O-N 3.04Å; A219-R221 VanDerWaalsContact C-N 3.3Å; A219-R221 PolarHBondContact O-N 3.43Å; R221-P225 WeakPolarHBondContact O-CD 3.32Å
222	I	98.3	Very high	97.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-78.2	-42.2	176.7	-68.2	164.1	0	0	0	111.4	F68 L198 T202 Y204 F206 T218 A219 D224 P225 V226	F68-I222 HydrophobicContact CD1-CB 4.47Å; F68-I222 HydrophobicContact CD1-CG1 4.23Å; F68-I222 HydrophobicContact CD1-CG2 4.36Å; F68-I222 HydrophobicContact CE1-CG2 4.1Å; L198-I222 HydrophobicContact CB-CD1 4.11Å; L198-I222 HydrophobicContact CD1-CD1 4.46Å; L198-I222 HydrophobicContact CD1-CG2 4.25Å; L198-I222 HydrophobicContact CD2-CG2 3.93Å; T202-I222 HydrophobicContact CG2-CD1 4.06Å; T202-I222 HydrophobicContact CG2-CG1 4.18Å; T202-I222 HydrophobicContact CG2-CG2 3.67Å; T202-I222 WeakPolarHBondContact OG1-CD1 3.41Å; Y204-I222 HydrophobicContact CD2-CG1 4.45Å; Y204-I222 HydrophobicContact CG-CD1 4.31Å; F206-I222 HydrophobicContact CE2-CD1 3.63Å; F206-I222 HydrophobicContact CZ-CD1 3.69Å; T218-I222 HydrophobicContact CG2-CD1 3.98Å; T218-I222 PolarHBondContact O-N 3.25Å; T218-I222 VanDerWaalsContact O-N 3.16Å; A219-I222 PolarHBondContact O-N 2.93Å; I222-D224 VanDerWaalsContact C-N 3.33Å; I222-D224 PolarHBondContact O-N 2.9Å; I222-P225 WeakPolarHBondContact O-CD 3.47Å; I222-P225 WeakPolarHBondContact O-CG 3.49Å; I222-V226 HydrophobicContact CG2-CG2 4.15Å; I222-V226 WeakPolarHBondContact O-CG2 3.4Å; I222-V226 PolarHBondContact O-N 2.82Å
223	C	98.5	Very high	97.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-72.4	-23.1	-173.9	-74.2	0	0	0	0	114.2	A219 T227 C249 L253	A219-C223 VanDerWaalsContact O-CB 3.3Å; A219-C223 WeakPolarHBondContact O-CB 3.4Å; A219-C223 PolarHBondContact O-N 3.3Å; A219-C223 PolarHBondContact O-SG 3.5Å; A219-C223 VanDerWaalsContact O-SG 3.34Å; C223-T227 WeakPolarHBondContact O-CB 3.21Å; C223-T227 WeakPolarHBondContact O-CG2 3.32Å; C223-T227 PolarHBondContact O-N 2.97Å; C223-T227 PolarHBondContact O-OG1 3.39Å; C223-C249 WeakPolarHBondContact CA-SG 3.43Å; C223-C249 HydrophobicContact CB-CB 3.42Å; C223-C249 VanDerWaalsContact CB-CB 3.42Å; C223-C249 WeakPolarHBondContact CB-SG 3.27Å; C223-C249 WeakPolarHBondContact SG-CA 3.34Å; C223-C249 WeakPolarHBondContact SG-CB 3.47Å; C223-C249 CovalentContact SG-SG 2.05Å; C223-C249 PolarHBondContact SG-SG 2.67Å; C223-L253 HydrophobicContact CB-CD2 4.35Å; C223-L253 HydrophobicContact CB-CG 4.23Å
224	D	98.1	Very high	97	Very high	10 Å²	10	29.9 Å²	29.9	5%	0.053	15%	0.154	C	C	.	.	H	α-helix	trans	-59.4	-57.8	172.4	-178.5	86.9	0	0	0	112	R62 P64 V65 W220 I222 T227 I228	R62-D224 IonicContact CZ-OD1 3.3Å; R62-D224 IonicContact NH1-OD1 3.44Å; R62-D224 PolarHBondContact NH1-OD1 3.35Å; R62-D224 IonicContact NH1-OD2 3.56Å; R62-D224 PolarHBondContact NH1-OD2 2.94Å; R62-D224 IonicContact NH2-OD1 3.56Å; R62-D224 PolarHBondContact NH2-OD1 2.86Å; P64-D224 WeakPolarHBondContact CA-OD2 3.36Å; V65-D224 VanDerWaalsContact CG2-OD2 3.28Å; V65-D224 WeakPolarHBondContact CG2-OD2 3.38Å; V65-D224 PolarHBondContact N-OD2 3.36Å; W220-D224 PolarHBondContact O-N 2.93Å; I222-D224 VanDerWaalsContact C-N 3.33Å; I222-D224 PolarHBondContact O-N 2.9Å; D224-T227 PolarHBondContact O-OG1 2.78Å; D224-T227 VanDerWaalsContact O-OG1 3.09Å; D224-I228 WeakPolarHBondContact O-CD1 3.39Å; D224-I228 WeakPolarHBondContact O-CG1 3.45Å; D224-I228 PolarHBondContact O-N 3.25Å
225	P	97.8	Very high	96.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.7	-43.1	174.5	18	-27.2	0	0	0	113.2	P64 F68 R221 I222 T227 I228 W229	P64-P225 HydrophobicContact CB-CB 3.75Å; P64-P225 HydrophobicContact CG-CB 3.92Å; F68-P225 HydrophobicContact CD1-CG 3.99Å; F68-P225 HydrophobicContact CE1-CB 4.41Å; F68-P225 HydrophobicContact CE1-CG 3.8Å; R221-P225 WeakPolarHBondContact O-CD 3.32Å; I222-P225 WeakPolarHBondContact O-CD 3.47Å; I222-P225 WeakPolarHBondContact O-CG 3.49Å; P225-T227 PolarHBondContact O-N 3.36Å; P225-I228 PolarHBondContact O-N 2.88Å; P225-I228 VanDerWaalsContact O-N 3.15Å; P225-W229 HydrophobicContact CB-CZ2 3.86Å; P225-W229 PolarHBondContact O-N 3.03Å; P225-W229 PolarHBondContact O-NE1 3.37Å
226	V	98	Very high	96.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-57.2	-46.7	-178.5	170.3	0	0	0	0	112.3	F68 I222 W229 V230 W240 V241 V245 C249	F68-V226 HydrophobicContact CE1-CG2 4.39Å; I222-V226 HydrophobicContact CG2-CG2 4.15Å; I222-V226 WeakPolarHBondContact O-CG2 3.4Å; I222-V226 PolarHBondContact O-N 2.82Å; V226-W229 HydrophobicContact CG2-CE3 4.44Å; V226-W229 HydrophobicContact CG2-CZ3 4.39Å; V226-W229 PolarHBondContact O-N 2.81Å; V226-V230 WeakPolarHBondContact O-CG2 3.34Å; V226-V230 PolarHBondContact O-N 3.3Å; V226-W240 HydrophobicContact CG2-CH2 3.52Å; V226-W240 HydrophobicContact CG2-CZ3 3.99Å; V226-V241 HydrophobicContact CG1-CG1 4.06Å; V226-V245 HydrophobicContact CG1-CG1 4.28Å; V226-C249 HydrophobicContact CG1-CB 4.48Å
227	T	97.9	Very high	96	Very high	10 Å²	10	39.3 Å²	39.3	6%	0.061	22%	0.218	C	C	.	.	H	α-helix	trans	-65	-41	178.5	50.2	0	0	0	0	111.7	C223 D224 P225 W229 V230 D231 Y246 C249 L253	C223-T227 WeakPolarHBondContact O-CB 3.21Å; C223-T227 WeakPolarHBondContact O-CG2 3.32Å; C223-T227 PolarHBondContact O-N 2.97Å; C223-T227 PolarHBondContact O-OG1 3.39Å; D224-T227 PolarHBondContact O-OG1 2.78Å; D224-T227 VanDerWaalsContact O-OG1 3.09Å; P225-T227 PolarHBondContact O-N 3.36Å; T227-W229 VanDerWaalsContact C-N 3.34Å; T227-W229 PolarHBondContact O-N 3.41Å; T227-V230 PolarHBondContact O-N 3.13Å; T227-D231 WeakPolarHBondContact O-CB 3.49Å; T227-D231 PolarHBondContact O-N 2.8Å; T227-Y246 HydrophobicContact CG2-CD2 4.18Å; T227-Y246 HydrophobicContact CG2-CE2 4.1Å; T227-C249 HydrophobicContact CG2-CB 3.91Å; T227-L253 HydrophobicContact CG2-CD1 3.98Å; T227-L253 WeakPolarHBondContact OG1-CD1 3.49Å
228	I	97.4	Very high	96	Very high	13 Å²	13	36.6 Å²	36.6	7%	0.067	21%	0.211	C	C	.	.	H	α-helix	trans	-63.7	-38.9	177.3	-69.9	165.5	0	0	0	111.9	P64 W77 D224 P225 V230 D231 H232	P64-I228 VanDerWaalsContact CA-CD1 3.43Å; P64-I228 HydrophobicContact CB-CD1 3.97Å; P64-I228 HydrophobicContact CG-CB 4.12Å; P64-I228 HydrophobicContact CG-CD1 3.92Å; P64-I228 HydrophobicContact CG-CG2 3.89Å; W77-I228 HydrophobicContact CH2-CG2 3.83Å; W77-I228 HydrophobicContact CZ2-CG2 4.18Å; D224-I228 WeakPolarHBondContact O-CD1 3.39Å; D224-I228 WeakPolarHBondContact O-CG1 3.45Å; D224-I228 PolarHBondContact O-N 3.25Å; P225-I228 PolarHBondContact O-N 2.88Å; P225-I228 VanDerWaalsContact O-N 3.15Å; I228-V230 VanDerWaalsContact C-N 3.3Å; I228-V230 PolarHBondContact O-N 3.42Å; I228-D231 PolarHBondContact O-N 3.35Å; I228-H232 VanDerWaalsContact O-CB 3.29Å; I228-H232 WeakPolarHBondContact O-CB 3.34Å; I228-H232 PolarHBondContact O-N 3.47Å
229	W	97.1	Very high	95.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-41.8	178.4	-58.2	-16	0	0	0	112.2	F68 D71 Y73 P225 V226 T227 S233 L234 L237 P238 W240 V241	F68-W229 AromaticContact CE1-CH2 3.76Å; F68-W229 HydrophobicContact CE1-CH2 3.76Å; F68-W229 HydrophobicContact CE1-CZ2 4.17Å; F68-W229 HydrophobicContact CE1-CZ3 4.44Å; F68-W229 AromaticContact CE2-CH2 3.82Å; F68-W229 HydrophobicContact CE2-CH2 3.82Å; F68-W229 AromaticContact CZ-CH2 3.12Å; F68-W229 HydrophobicContact CZ-CH2 3.12Å; F68-W229 AromaticContact CZ-CZ2 3.95Å; F68-W229 HydrophobicContact CZ-CZ2 3.95Å; F68-W229 AromaticContact CZ-CZ3 3.71Å; F68-W229 HydrophobicContact CZ-CZ3 3.71Å; D71-W229 HydrophobicContact CB-CZ2 4.34Å; D71-W229 VanDerWaalsContact OD1-CZ2 3.31Å; D71-W229 WeakPolarHBondContact OD1-CZ2 3.27Å; Y73-W229 AromaticContact CD2-CD1 3.91Å; Y73-W229 AromaticContact CD2-CD2 3.6Å; Y73-W229 HydrophobicContact CD2-CD2 3.6Å; Y73-W229 AromaticContact CD2-CE2 3.47Å; Y73-W229 VanDerWaalsContact CD2-CE2 3.47Å; Y73-W229 HydrophobicContact CD2-CE3 4.1Å; Y73-W229 AromaticContact CD2-CG 3.88Å; Y73-W229 HydrophobicContact CD2-CG 3.88Å; Y73-W229 HydrophobicContact CD2-CH2 4.24Å; Y73-W229 AromaticContact CD2-CZ2 3.84Å; Y73-W229 HydrophobicContact CD2-CZ2 3.84Å; Y73-W229 HydrophobicContact CD2-CZ3 4.39Å; Y73-W229 AromaticContact CD2-NE1 3.68Å; Y73-W229 HydrophobicContact CE2-CB 4.4Å; Y73-W229 AromaticContact CE2-CD2 3.7Å; Y73-W229 HydrophobicContact CE2-CD2 3.7Å; Y73-W229 AromaticContact CE2-CE3 3.86Å; Y73-W229 HydrophobicContact CE2-CE3 3.86Å; Y73-W229 AromaticContact CE2-CG 3.95Å; Y73-W229 HydrophobicContact CE2-CG 3.95Å; Y73-W229 HydrophobicContact CE2-CZ3 4.29Å; P225-W229 HydrophobicContact CB-CZ2 3.86Å; P225-W229 PolarHBondContact O-N 3.03Å; P225-W229 PolarHBondContact O-NE1 3.37Å; V226-W229 HydrophobicContact CG2-CE3 4.44Å; V226-W229 HydrophobicContact CG2-CZ3 4.39Å; V226-W229 PolarHBondContact O-N 2.81Å; T227-W229 VanDerWaalsContact C-N 3.34Å; T227-W229 PolarHBondContact O-N 3.41Å; W229-S233 PolarHBondContact O-N 2.83Å; W229-L234 HydrophobicContact CB-CD1 3.93Å; W229-L234 HydrophobicContact CB-CG 4.35Å; W229-L234 HydrophobicContact CG-CD1 3.9Å; W229-L234 PolarHBondContact O-N 3.37Å; W229-L237 HydrophobicContact CB-CD2 3.73Å; W229-P238 HydrophobicContact CZ3-CG 4.2Å; W229-W240 HydrophobicContact CZ3-CZ2 4.36Å; W229-V241 HydrophobicContact CE3-CG2 4.45Å
230	V	97.2	Very high	95.8	Very high	40 Å²	40	50 Å²	50	24%	0.242	26%	0.26	C	S	.	.	H	α-helix	trans	-69.5	-47.9	177.1	177	0	0	0	0	110.6	V226 T227 I228 H232 S233 L237 V241 Y246	V226-V230 WeakPolarHBondContact O-CG2 3.34Å; V226-V230 PolarHBondContact O-N 3.3Å; T227-V230 PolarHBondContact O-N 3.13Å; I228-V230 VanDerWaalsContact C-N 3.3Å; I228-V230 PolarHBondContact O-N 3.42Å; V230-H232 VanDerWaalsContact C-N 3.26Å; V230-H232 PolarHBondContact O-N 3.34Å; V230-S233 PolarHBondContact O-N 2.97Å; V230-L237 HydrophobicContact CG2-CD1 4.1Å; V230-V241 HydrophobicContact CG2-CG1 3.68Å; V230-Y246 HydrophobicContact CB-CD2 3.61Å; V230-Y246 HydrophobicContact CB-CE2 3.97Å; V230-Y246 HydrophobicContact CB-CG 4.34Å; V230-Y246 HydrophobicContact CG1-CD2 3.61Å; V230-Y246 HydrophobicContact CG1-CE2 3.87Å; V230-Y246 HydrophobicContact CG1-CG 3.96Å; V230-Y246 HydrophobicContact CG2-CD2 3.86Å; V230-Y246 HydrophobicContact CG2-CG 4.35Å
231	D	95.3	Very high	95.8	Very high	87 Å²	87	50.4 Å²	50.4	47%	0.465	26%	0.262	S	S	.	.	H	α-helix	trans	-61.9	-33.3	-178.9	-71.1	-18.1	0	0	0	112.4	T227 I228 S233 Y246	T227-D231 WeakPolarHBondContact O-CB 3.49Å; T227-D231 PolarHBondContact O-N 2.8Å; I228-D231 PolarHBondContact O-N 3.35Å; D231-S233 VanDerWaalsContact C-N 3.29Å; D231-Y246 PolarHBondContact OD1-OH 3.46Å
232	H	94.2	Very high	95.8	Very high	54 Å²	54	48.5 Å²	48.5	25%	0.25	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	1	177.1	-72.5	-158.6	0	0	0	113.4	D61 W77 I228 V230 L234	D61-H232 IonicContact OD1-CD2 2.74Å; D61-H232 IonicContact OD1-CE1 3.2Å; D61-H232 IonicContact OD1-NE2 3.49Å; D61-H232 PolarHBondContact OD1-NE2 2.83Å; D61-H232 IonicContact OD2-CE1 2.74Å; D61-H232 PolarHBondContact OD2-CE1 3Å; D61-H232 IonicContact OD2-NE2 2.79Å; D61-H232 PolarHBondContact OD2-NE2 3.42Å; W77-H232 AromaticContact CH2-ND1 3.55Å; W77-H232 AromaticContact CZ3-ND1 3.77Å; I228-H232 VanDerWaalsContact O-CB 3.29Å; I228-H232 WeakPolarHBondContact O-CB 3.34Å; I228-H232 PolarHBondContact O-N 3.47Å; V230-H232 VanDerWaalsContact C-N 3.26Å; V230-H232 PolarHBondContact O-N 3.34Å; H232-L234 HydrophobicContact CB-CD2 3.77Å; H232-L234 HydrophobicContact CB-CG 4.03Å; H232-L234 PolarHBondContact O-N 3.26Å
233	S	94.7	Very high	95.8	Very high	103 Å²	103	53.6 Å²	53.6	72%	0.72	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	42.8	-175.9	-52.7	0	0	0	0	112.1	W229 V230 D231	W229-S233 PolarHBondContact O-N 2.83Å; V230-S233 PolarHBondContact O-N 2.97Å; D231-S233 VanDerWaalsContact C-N 3.29Å
234	L	92.8	Very high	95.7	Very high	20 Å²	20	57.9 Å²	57.9	11%	0.105	32%	0.322	C	S	.	.			trans	-59	141.9	-175.5	-67.8	-168.1	0	0	0	111.1	Y73 L76 W77 W229 H232 L237	Y73-L234 HydrophobicContact CD1-CD1 4.02Å; Y73-L234 HydrophobicContact CD2-CD1 3.92Å; Y73-L234 HydrophobicContact CE1-CB 4.22Å; Y73-L234 HydrophobicContact CE1-CD1 4.23Å; Y73-L234 HydrophobicContact CE2-CD1 4.12Å; Y73-L234 HydrophobicContact CG-CD1 3.84Å; L76-L234 HydrophobicContact CD2-CD1 3.84Å; L76-L234 HydrophobicContact CD2-CD2 3.62Å; L76-L234 HydrophobicContact CD2-CG 4.36Å; W77-L234 HydrophobicContact CH2-CD1 4.31Å; W77-L234 HydrophobicContact CZ2-CD1 3.99Å; W229-L234 HydrophobicContact CB-CD1 3.93Å; W229-L234 HydrophobicContact CB-CG 4.35Å; W229-L234 HydrophobicContact CG-CD1 3.9Å; W229-L234 PolarHBondContact O-N 3.37Å; H232-L234 HydrophobicContact CB-CD2 3.77Å; H232-L234 HydrophobicContact CB-CG 4.03Å; H232-L234 PolarHBondContact O-N 3.26Å; L234-L237 HydrophobicContact CB-CD2 4.44Å
235	P	85.1	Confident	95.8	Very high	94 Å²	94	57.5 Å²	57.5	61%	0.61	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	142.4	179.6	27	-34.1	0	0	0	110.3	Y73 L237	Y73-P235 WeakPolarHBondContact CE1-O 3.48Å; Y73-P235 PolarHBondContact OH-O 3.28Å; P235-L237 PolarHBondContact O-N 3.01Å
236	S	89.7	Confident	95.8	Very high	116 Å²	116	60.8 Å²	60.8	81%	0.811	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	54.1	170.4	-53.8	0	0	0	0	114.2	Y73	Y73-S236 VanDerWaalsContact OH-C 3.26Å; Y73-S236 PolarHBondContact OH-O 2.94Å
237	L	95.5	Very high	95.8	Very high	63 Å²	63	67 Å²	67	33%	0.33	36%	0.36	S	S	.	.			trans	-49.5	137.4	172.6	-69.8	175.9	0	0	0	111.1	Y73 W229 V230 L234 P235 R239	Y73-L237 WeakPolarHBondContact OH-CA 3.34Å; Y73-L237 PolarHBondContact OH-N 3.4Å; W229-L237 HydrophobicContact CB-CD2 3.73Å; V230-L237 HydrophobicContact CG2-CD1 4.1Å; L234-L237 HydrophobicContact CB-CD2 4.44Å; P235-L237 PolarHBondContact O-N 3.01Å; L237-R239 PolarHBondContact O-N 3.31Å
238	P	95.9	Very high	95.8	Very high	27 Å²	27	69 Å²	69	18%	0.175	37%	0.368	C	S	.	.			trans	-53.8	141.2	173.9	-25.4	33.7	0	0	0	111.1	P72 W229 W240 V241	P72-P238 HydrophobicContact CG-CG 4.06Å; W229-P238 HydrophobicContact CZ3-CG 4.2Å; P238-W240 HydrophobicContact CB-CG 4.37Å; P238-W240 VanDerWaalsContact CB-NE1 3.35Å; P238-W240 PolarHBondContact O-N 3.44Å; P238-V241 HydrophobicContact CB-CG2 4.12Å; P238-V241 HydrophobicContact CG-CG2 4.25Å; P238-V241 WeakPolarHBondContact O-CB 3.16Å; P238-V241 PolarHBondContact O-N 3.39Å
239	R	96	Very high	95.9	Very high	250 Å²	250	68.3 Å²	68.3	94%	0.943	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-28	-174.1	-65.8	-177.3	-172	152.5	1.5	114.3	L237 V241	L237-R239 PolarHBondContact O-N 3.31Å; R239-V241 VanDerWaalsContact C-N 3.3Å
240	W	96.7	Very high	96	Very high	48 Å²	48	69.8 Å²	69.8	18%	0.182	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-16.1	178.3	64.9	-97.4	0	0	0	113.1	F68 L198 T201 T202 V226 W229 P238 T242 V245	F68-W240 HydrophobicContact CE2-CZ2 4.31Å; F68-W240 HydrophobicContact CZ-CH2 4.13Å; F68-W240 AromaticContact CZ-CZ2 3.97Å; F68-W240 HydrophobicContact CZ-CZ2 3.97Å; L198-W240 HydrophobicContact CD2-CZ3 4.12Å; T201-W240 HydrophobicContact CG2-CB 3.78Å; T201-W240 HydrophobicContact CG2-CD2 4.05Å; T201-W240 HydrophobicContact CG2-CG 3.69Å; T202-W240 HydrophobicContact CG2-CH2 3.96Å; T202-W240 HydrophobicContact CG2-CZ2 4.13Å; V226-W240 HydrophobicContact CG2-CH2 3.52Å; V226-W240 HydrophobicContact CG2-CZ3 3.99Å; W229-W240 HydrophobicContact CZ3-CZ2 4.36Å; P238-W240 HydrophobicContact CB-CG 4.37Å; P238-W240 VanDerWaalsContact CB-NE1 3.35Å; P238-W240 PolarHBondContact O-N 3.44Å; W240-T242 VanDerWaalsContact C-N 3.29Å; W240-T242 PolarHBondContact O-N 3.27Å; W240-V245 HydrophobicContact CE3-CG1 4.09Å; W240-V245 HydrophobicContact CZ3-CG1 3.93Å; W240-V245 VanDerWaalsContact O-CG2 3.24Å; W240-V245 WeakPolarHBondContact O-CG2 3.35Å
241	V	97.7	Very high	96	Very high	14 Å²	14	72 Å²	72	9%	0.085	39%	0.386	C	S	.	.			trans	-81.2	78.6	175.7	-176.6	0	0	0	0	109	V226 W229 V230 P238 R239	V226-V241 HydrophobicContact CG1-CG1 4.06Å; W229-V241 HydrophobicContact CE3-CG2 4.45Å; V230-V241 HydrophobicContact CG2-CG1 3.68Å; P238-V241 HydrophobicContact CB-CG2 4.12Å; P238-V241 HydrophobicContact CG-CG2 4.25Å; P238-V241 WeakPolarHBondContact O-CB 3.16Å; P238-V241 PolarHBondContact O-N 3.39Å; R239-V241 VanDerWaalsContact C-N 3.3Å
242	T	97.5	Very high	96.2	Very high	69 Å²	69	68 Å²	68	42%	0.423	37%	0.365	S	S	.	.			trans	-89.5	169.2	175.9	69.4	0	0	0	0	111.4	W240 D244 V245 Y246	W240-T242 VanDerWaalsContact C-N 3.29Å; W240-T242 PolarHBondContact O-N 3.27Å; T242-D244 PolarHBondContact O-N 2.95Å; T242-D244 PolarHBondContact OG1-N 3.16Å; T242-V245 PolarHBondContact O-N 3.3Å; T242-V245 PolarHBondContact OG1-N 2.92Å; T242-Y246 PolarHBondContact O-N 3.02Å
243	S	97.7	Very high	96.4	Very high	108 Å²	108	65.9 Å²	65.9	76%	0.755	36%	0.355	S	S	*	.	H	α-helix	trans	-55.2	-33.9	171.2	-96.3	0	0	0	0	113.1	K247	S243-K247 WeakPolarHBondContact O-CB 3.38Å; S243-K247 PolarHBondContact O-N 3.1Å
244	D	98.2	Very high	96.6	Very high	89 Å²	89	62.1 Å²	62.1	48%	0.476	33%	0.326	S	S	.	.	H	α-helix	trans	-70.4	-45.5	177.4	-175.7	68.4	0	0	0	111.5	T242 Y246 K247 Q248	T242-D244 PolarHBondContact O-N 2.95Å; T242-D244 PolarHBondContact OG1-N 3.16Å; D244-Y246 VanDerWaalsContact C-N 3.31Å; D244-Y246 PolarHBondContact O-N 3.04Å; D244-K247 PolarHBondContact O-N 3.16Å; D244-K247 VanDerWaalsContact O-N 3.14Å; D244-Q248 WeakPolarHBondContact O-CG 3.4Å; D244-Q248 PolarHBondContact O-N 3.01Å; D244-Q248 PolarHBondContact OD2-NE2 2.93Å
245	V	98.5	Very high	96.8	Very high	3 Å²	3	62.4 Å²	62.4	2%	0.018	33%	0.326	C	S	.	.	H	α-helix	trans	-59.5	-43.7	175.2	171.8	0	0	0	0	111	F194 L197 V226 W240 T242 K247 Q248 C249	F194-V245 HydrophobicContact CE2-CB 4.38Å; F194-V245 HydrophobicContact CE2-CG1 4.13Å; F194-V245 HydrophobicContact CE2-CG2 4.19Å; F194-V245 HydrophobicContact CZ-CG1 4.33Å; L197-V245 HydrophobicContact CD2-CG2 3.83Å; V226-V245 HydrophobicContact CG1-CG1 4.28Å; W240-V245 HydrophobicContact CE3-CG1 4.09Å; W240-V245 HydrophobicContact CZ3-CG1 3.93Å; W240-V245 VanDerWaalsContact O-CG2 3.24Å; W240-V245 WeakPolarHBondContact O-CG2 3.35Å; T242-V245 PolarHBondContact O-N 3.3Å; T242-V245 PolarHBondContact OG1-N 2.92Å; V245-K247 PolarHBondContact O-N 3.48Å; V245-Q248 PolarHBondContact O-N 3.29Å; V245-C249 WeakPolarHBondContact O-CB 3.45Å; V245-C249 PolarHBondContact O-N 3.32Å
246	Y	98.4	Very high	97.5	Very high	68 Å²	68	59.6 Å²	59.6	27%	0.267	31%	0.305	S	S	.	.	H	α-helix	trans	-57.2	-49.6	173.9	170.5	-102.9	0	0	0	111.7	T227 V230 D231 T242 D244 Q248 C249 S250	T227-Y246 HydrophobicContact CG2-CD2 4.18Å; T227-Y246 HydrophobicContact CG2-CE2 4.1Å; V230-Y246 HydrophobicContact CB-CD2 3.61Å; V230-Y246 HydrophobicContact CB-CE2 3.97Å; V230-Y246 HydrophobicContact CB-CG 4.34Å; V230-Y246 HydrophobicContact CG1-CD2 3.61Å; V230-Y246 HydrophobicContact CG1-CE2 3.87Å; V230-Y246 HydrophobicContact CG1-CG 3.96Å; V230-Y246 HydrophobicContact CG2-CD2 3.86Å; V230-Y246 HydrophobicContact CG2-CG 4.35Å; D231-Y246 PolarHBondContact OD1-OH 3.46Å; T242-Y246 PolarHBondContact O-N 3.02Å; D244-Y246 VanDerWaalsContact C-N 3.31Å; D244-Y246 PolarHBondContact O-N 3.04Å; Y246-Q248 PolarHBondContact O-N 3.4Å; Y246-C249 PolarHBondContact O-N 3.36Å; Y246-S250 PolarHBondContact O-N 3.27Å
247	K	98.5	Very high	97.9	Very high	132 Å²	132	54.5 Å²	54.5	57%	0.574	27%	0.268	S	S	*	.	H	α-helix	trans	-61	-45.2	179.5	-175.2	179.8	179.1	-177.3	0	112	S243 D244 V245 S250 N251	S243-K247 WeakPolarHBondContact O-CB 3.38Å; S243-K247 PolarHBondContact O-N 3.1Å; D244-K247 PolarHBondContact O-N 3.16Å; D244-K247 VanDerWaalsContact O-N 3.14Å; V245-K247 PolarHBondContact O-N 3.48Å; K247-S250 PolarHBondContact O-N 2.89Å; K247-N251 WeakPolarHBondContact O-CB 3.33Å; K247-N251 PolarHBondContact O-N 3.19Å; K247-N251 PolarHBondContact O-ND2 3.43Å
248	Q	98.5	Very high	98	Very high	50 Å²	50	56 Å²	56	23%	0.234	27%	0.272	C	S	.	.	H	α-helix	trans	-63.3	-42.2	176.8	-69.8	-163.1	62.3	0	0	111.7	F194 D244 V245 Y246 N251 L252	F194-Q248 HydrophobicContact CD1-CB 4.33Å; F194-Q248 HydrophobicContact CD2-CB 4.2Å; F194-Q248 HydrophobicContact CD2-CG 4.48Å; F194-Q248 HydrophobicContact CE1-CB 3.93Å; F194-Q248 HydrophobicContact CE2-CB 3.79Å; F194-Q248 HydrophobicContact CE2-CG 4.43Å; F194-Q248 HydrophobicContact CG-CB 4.46Å; F194-Q248 HydrophobicContact CZ-CB 3.64Å; D244-Q248 WeakPolarHBondContact O-CG 3.4Å; D244-Q248 PolarHBondContact O-N 3.01Å; D244-Q248 PolarHBondContact OD2-NE2 2.93Å; V245-Q248 PolarHBondContact O-N 3.29Å; Y246-Q248 PolarHBondContact O-N 3.4Å; Q248-N251 PolarHBondContact O-N 3.3Å; Q248-L252 WeakPolarHBondContact O-CG 3.42Å; Q248-L252 PolarHBondContact O-N 2.97Å
249	C	98.7	Very high	98.1	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.8	-41.9	175.3	-90.1	0	0	0	0	113.1	C223 V226 T227 V245 Y246 L252 L253	C223-C249 WeakPolarHBondContact CA-SG 3.43Å; C223-C249 HydrophobicContact CB-CB 3.42Å; C223-C249 VanDerWaalsContact CB-CB 3.42Å; C223-C249 WeakPolarHBondContact CB-SG 3.27Å; C223-C249 WeakPolarHBondContact SG-CA 3.34Å; C223-C249 WeakPolarHBondContact SG-CB 3.47Å; C223-C249 CovalentContact SG-SG 2.05Å; C223-C249 PolarHBondContact SG-SG 2.67Å; V226-C249 HydrophobicContact CG1-CB 4.48Å; T227-C249 HydrophobicContact CG2-CB 3.91Å; V245-C249 WeakPolarHBondContact O-CB 3.45Å; V245-C249 PolarHBondContact O-N 3.32Å; Y246-C249 PolarHBondContact O-N 3.36Å; C249-L252 WeakPolarHBondContact O-CB 3.36Å; C249-L252 PolarHBondContact O-N 3.5Å; C249-L253 WeakPolarHBondContact O-CG 3.48Å; C249-L253 PolarHBondContact O-N 3.2Å
250	S	98.4	Very high	98.2	Very high	30 Å²	30	45.5 Å²	45.5	21%	0.21	23%	0.229	C	C	.	.	H	α-helix	trans	-58.4	-49.5	173.6	-172.4	0	0	0	0	110.8	Y246 K247 L252 L253 D254	Y246-S250 PolarHBondContact O-N 3.27Å; K247-S250 PolarHBondContact O-N 2.89Å; S250-L252 VanDerWaalsContact C-N 3.27Å; S250-L252 PolarHBondContact O-N 2.87Å; S250-L253 PolarHBondContact O-N 3.19Å; S250-L253 VanDerWaalsContact O-N 3.07Å; S250-D254 PolarHBondContact O-N 3.12Å
251	N	98.4	Very high	98.3	Very high	87 Å²	87	43.4 Å²	43.4	47%	0.465	22%	0.222	S	C	.	.	H	α-helix	trans	-59.9	-36.1	177.9	-69.9	-19.1	0	0	0	112.5	K247 Q248 D254 Y255	K247-N251 WeakPolarHBondContact O-CB 3.33Å; K247-N251 PolarHBondContact O-N 3.19Å; K247-N251 PolarHBondContact O-ND2 3.43Å; Q248-N251 PolarHBondContact O-N 3.3Å; N251-D254 PolarHBondContact O-N 3.16Å; N251-Y255 VanDerWaalsContact O-CB 3.3Å; N251-Y255 WeakPolarHBondContact O-CB 3.38Å; N251-Y255 PolarHBondContact O-N 3.25Å
252	L	98.5	Very high	98.3	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-66.4	-39.4	174.9	-84.3	179.6	0	0	0	112.6	L191 F194 F216 A219 W220 Q248 C249 S250 Y255 K256	L191-L252 HydrophobicContact CD1-CD2 3.74Å; F194-L252 HydrophobicContact CD1-CD1 4.05Å; F194-L252 HydrophobicContact CE1-CD1 3.63Å; F216-L252 HydrophobicContact CD1-CD2 3.7Å; F216-L252 HydrophobicContact CE1-CD2 3.71Å; A219-L252 HydrophobicContact CB-CD1 3.77Å; W220-L252 PolarHBondContact NE1-O 3.07Å; Q248-L252 WeakPolarHBondContact O-CG 3.42Å; Q248-L252 PolarHBondContact O-N 2.97Å; C249-L252 WeakPolarHBondContact O-CB 3.36Å; C249-L252 PolarHBondContact O-N 3.5Å; S250-L252 VanDerWaalsContact C-N 3.27Å; S250-L252 PolarHBondContact O-N 2.87Å; L252-Y255 PolarHBondContact O-N 2.91Å; L252-K256 PolarHBondContact O-N 2.97Å
253	L	98.6	Very high	98.3	Very high	8 Å²	8	46.3 Å²	46.3	4%	0.042	23%	0.232	C	C	.	.	H	α-helix	trans	-71.8	-32.8	176.8	-65.5	178.8	0	0	0	112.2	C223 T227 C249 S250 K256 Q257 K331	C223-L253 HydrophobicContact CB-CD2 4.35Å; C223-L253 HydrophobicContact CB-CG 4.23Å; T227-L253 HydrophobicContact CG2-CD1 3.98Å; T227-L253 WeakPolarHBondContact OG1-CD1 3.49Å; C249-L253 WeakPolarHBondContact O-CG 3.48Å; C249-L253 PolarHBondContact O-N 3.2Å; S250-L253 PolarHBondContact O-N 3.19Å; S250-L253 VanDerWaalsContact O-N 3.07Å; L253-K256 HydrophobicContact CD2-CD 4.46Å; L253-K256 WeakPolarHBondContact O-CB 3.47Å; L253-Q257 PolarHBondContact O-N 3.4Å; L253-K331 HydrophobicContact CB-CD 4.2Å
254	D	98.7	Very high	98.3	Very high	24 Å²	24	45.6 Å²	45.6	13%	0.128	23%	0.225	C	C	.	.	H	α-helix	trans	-64	-49.2	169.5	-68.5	-24.5	0	0	0	110.3	S250 N251 K256 Q257 F258 K331	S250-D254 PolarHBondContact O-N 3.12Å; N251-D254 PolarHBondContact O-N 3.16Å; D254-K256 VanDerWaalsContact C-N 3.28Å; D254-K256 PolarHBondContact O-N 2.92Å; D254-Q257 PolarHBondContact O-N 2.96Å; D254-Q257 VanDerWaalsContact O-N 3.07Å; D254-F258 PolarHBondContact O-N 3.35Å; D254-K331 WeakPolarHBondContact OD1-CB 3.43Å; D254-K331 PolarHBondContact OD1-N 2.94Å
255	Y	98.5	Very high	98.3	Very high	27 Å²	27	46.7 Å²	46.7	11%	0.106	23%	0.227	C	C	.	.	H	α-helix	trans	-58.1	-39.4	176.6	-176.9	-115.1	0	0	0	112.4	K187 F216 W220 N251 L252 Q257 F258 I259	K187-Y255 HydrophobicContact CD-CD1 4.33Å; K187-Y255 HydrophobicContact CD-CD2 4.1Å; K187-Y255 HydrophobicContact CD-CE1 3.95Å; K187-Y255 HydrophobicContact CD-CE2 3.71Å; K187-Y255 HydrophobicContact CD-CG 4.4Å; F216-Y255 HydrophobicContact CD1-CD1 4.12Å; F216-Y255 HydrophobicContact CD1-CE1 4.12Å; F216-Y255 AromaticContact CE1-CD1 3.86Å; F216-Y255 HydrophobicContact CE1-CD1 3.86Å; F216-Y255 AromaticContact CE1-CE1 3.74Å; F216-Y255 HydrophobicContact CE1-CE1 3.74Å; F216-Y255 HydrophobicContact CE2-CE1 4.28Å; F216-Y255 HydrophobicContact CZ-CD1 4.41Å; F216-Y255 AromaticContact CZ-CE1 3.84Å; F216-Y255 HydrophobicContact CZ-CE1 3.84Å; W220-Y255 HydrophobicContact CZ2-CD1 4.28Å; N251-Y255 VanDerWaalsContact O-CB 3.3Å; N251-Y255 WeakPolarHBondContact O-CB 3.38Å; N251-Y255 PolarHBondContact O-N 3.25Å; L252-Y255 PolarHBondContact O-N 2.91Å; Y255-Q257 VanDerWaalsContact C-N 3.31Å; Y255-Q257 PolarHBondContact O-N 3.24Å; Y255-F258 HydrophobicContact CD2-CD1 4.1Å; Y255-F258 HydrophobicContact CE2-CD1 4.22Å; Y255-F258 PolarHBondContact O-N 3.42Å; Y255-I259 HydrophobicContact CE1-CB 4.42Å; Y255-I259 HydrophobicContact CE1-CG2 4.45Å; Y255-I259 HydrophobicContact CE2-CB 4.13Å; Y255-I259 HydrophobicContact CE2-CD1 4.27Å; Y255-I259 HydrophobicContact CE2-CG1 4.48Å; Y255-I259 WeakPolarHBondContact O-CB 3.4Å; Y255-I259 VanDerWaalsContact O-CG2 3.23Å; Y255-I259 WeakPolarHBondContact O-CG2 3.48Å; Y255-I259 PolarHBondContact O-N 2.94Å
256	K	98.4	Very high	98.3	Very high	35 Å²	35	46.8 Å²	46.8	15%	0.152	23%	0.227	C	C	.	.	H	α-helix	trans	-53.8	-46.2	174.2	-175.6	-178.5	-178.7	175.6	0	112.2	W220 L252 L253 D254 R260	W220-K256 HydrophobicContact CB-CD 4.06Å; W220-K256 HydrophobicContact CD2-CB 3.87Å; W220-K256 HydrophobicContact CD2-CD 3.82Å; W220-K256 HydrophobicContact CD2-CG 3.65Å; W220-K256 HydrophobicContact CE3-CD 4.11Å; W220-K256 HydrophobicContact CE3-CG 3.86Å; W220-K256 HydrophobicContact CG-CB 4.15Å; W220-K256 HydrophobicContact CG-CD 3.79Å; W220-K256 HydrophobicContact CG-CG 4.1Å; W220-K256 HydrophobicContact CH2-CG 4.29Å; W220-K256 HydrophobicContact CZ2-CB 3.87Å; W220-K256 HydrophobicContact CZ2-CG 4.1Å; W220-K256 HydrophobicContact CZ3-CG 4.17Å; L252-K256 PolarHBondContact O-N 2.97Å; L253-K256 HydrophobicContact CD2-CD 4.46Å; L253-K256 WeakPolarHBondContact O-CB 3.47Å; D254-K256 VanDerWaalsContact C-N 3.28Å; D254-K256 PolarHBondContact O-N 2.92Å; K256-R260 VanDerWaalsContact O-CD 3.29Å; K256-R260 WeakPolarHBondContact O-CD 3.39Å; K256-R260 WeakPolarHBondContact O-CG 3.4Å
257	Q	98.3	Very high	98.2	Very high	8 Å²	8	44 Å²	44	4%	0.037	22%	0.218	C	C	.	.	H	α-helix	trans	-75	-42.2	-179.6	-59.2	-57	-19.5	0	0	110.9	L253 D254 Y255 F261 S315 A318 Y327 K331	L253-Q257 PolarHBondContact O-N 3.4Å; D254-Q257 PolarHBondContact O-N 2.96Å; D254-Q257 VanDerWaalsContact O-N 3.07Å; Y255-Q257 VanDerWaalsContact C-N 3.31Å; Y255-Q257 PolarHBondContact O-N 3.24Å; Q257-F261 WeakPolarHBondContact O-CD2 3.42Å; Q257-S315 VanDerWaalsContact OE1-CA 3.27Å; Q257-S315 VanDerWaalsContact OE1-CB 3.32Å; Q257-A318 HydrophobicContact CB-CB 4.14Å; Q257-Y327 WeakPolarHBondContact CB-OH 3.47Å; Q257-K331 HydrophobicContact CG-CB 4.08Å; Q257-K331 HydrophobicContact CG-CG 4.07Å
258	F	98.5	Very high	98.2	Very high	95 Å²	95	41 Å²	41	42%	0.417	20%	0.203	S	C	.	.	H	α-helix	trans	-56.9	-55.7	176.6	172.1	-99.1	0	0	0	112.3	D254 Y255 R260 F261 S262 Y327	D254-F258 PolarHBondContact O-N 3.35Å; Y255-F258 HydrophobicContact CD2-CD1 4.1Å; Y255-F258 HydrophobicContact CE2-CD1 4.22Å; Y255-F258 PolarHBondContact O-N 3.42Å; F258-R260 VanDerWaalsContact C-N 3.3Å; F258-R260 PolarHBondContact O-N 3.21Å; F258-F261 CarbonylContact O-C 3.33Å; F258-F261 PolarHBondContact O-N 3.42Å; F258-F261 VanDerWaalsContact O-N 3.16Å; F258-S262 VanDerWaalsContact O-CB 3.31Å; F258-S262 WeakPolarHBondContact O-CB 3.49Å; F258-S262 PolarHBondContact O-N 2.86Å; F258-Y327 HydrophobicContact CB-CE1 4.48Å
259	I	98.1	Very high	98.2	Very high	10 Å²	10	38.7 Å²	38.7	5%	0.051	19%	0.192	C	C	.	.	H	α-helix	trans	-63.1	-38.7	-172.2	-165.2	64.1	0	0	0	111.7	F175 L178 M179 V184 W220 Y255 F261 S262	F175-I259 HydrophobicContact CE2-CG1 4.39Å; F175-I259 HydrophobicContact CE2-CG2 4.04Å; F175-I259 HydrophobicContact CZ-CG2 4.15Å; L178-I259 HydrophobicContact CD1-CD1 4.32Å; L178-I259 HydrophobicContact CD2-CD1 3.79Å; L178-I259 HydrophobicContact CD2-CG1 4.03Å; L178-I259 WeakPolarHBondContact CD2-O 2.98Å; L178-I259 HydrophobicContact CG-CD1 4Å; L178-I259 HydrophobicContact CG-CG1 4.35Å; M179-I259 HydrophobicContact SD-CG1 4.08Å; M179-I259 HydrophobicContact SD-CG2 4.31Å; V184-I259 HydrophobicContact CG2-CD1 4.19Å; W220-I259 HydrophobicContact CH2-CG2 4.12Å; W220-I259 HydrophobicContact CZ2-CG2 4.23Å; Y255-I259 HydrophobicContact CE1-CB 4.42Å; Y255-I259 HydrophobicContact CE1-CG2 4.45Å; Y255-I259 HydrophobicContact CE2-CB 4.13Å; Y255-I259 HydrophobicContact CE2-CD1 4.27Å; Y255-I259 HydrophobicContact CE2-CG1 4.48Å; Y255-I259 WeakPolarHBondContact O-CB 3.4Å; Y255-I259 VanDerWaalsContact O-CG2 3.23Å; Y255-I259 WeakPolarHBondContact O-CG2 3.48Å; Y255-I259 PolarHBondContact O-N 2.94Å; I259-F261 PolarHBondContact O-N 3.01Å; I259-S262 PolarHBondContact O-N 3.31Å; I259-S262 PolarHBondContact O-OG 3.41Å
260	R	98.1	Very high	98.1	Very high	46 Å²	46	39 Å²	39	17%	0.174	19%	0.193	C	C	.	.	H	α-helix	trans	-60.3	-25.9	178.9	-76.5	177.4	68.1	150.5	5.1	114.4	M164 F175 K256 F258	M164-R260 PolarHBondContact O-NH2 2.81Å; F175-R260 HydrophobicContact CD2-CG 4.45Å; F175-R260 HydrophobicContact CE1-CG 4.33Å; F175-R260 HydrophobicContact CE2-CB 4.24Å; F175-R260 HydrophobicContact CE2-CG 3.7Å; F175-R260 HydrophobicContact CZ-CG 3.62Å; K256-R260 VanDerWaalsContact O-CD 3.29Å; K256-R260 WeakPolarHBondContact O-CD 3.39Å; K256-R260 WeakPolarHBondContact O-CG 3.4Å; F258-R260 VanDerWaalsContact C-N 3.3Å; F258-R260 PolarHBondContact O-N 3.21Å
261	F	98.3	Very high	98.1	Very high	5 Å²	5	37.6 Å²	37.6	2%	0.022	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.2	19.4	-174.1	-49.9	-55.5	0	0	0	112.4	M164 Q257 F258 I259 K263 T267 R270 S315 A318 A319 S322	M164-F261 HydrophobicContact CB-CE1 4.44Å; M164-F261 HydrophobicContact CB-CZ 4.06Å; M164-F261 HydrophobicContact CG-CZ 4.17Å; Q257-F261 WeakPolarHBondContact O-CD2 3.42Å; F258-F261 CarbonylContact O-C 3.33Å; F258-F261 PolarHBondContact O-N 3.42Å; F258-F261 VanDerWaalsContact O-N 3.16Å; I259-F261 PolarHBondContact O-N 3.01Å; F261-K263 PolarHBondContact O-N 3.19Å; F261-T267 HydrophobicContact CB-CG2 3.94Å; F261-T267 WeakPolarHBondContact O-CG2 3.4Å; F261-R270 HydrophobicContact CD1-CB 4.06Å; F261-R270 HydrophobicContact CE1-CB 3.75Å; F261-R270 HydrophobicContact CE1-CG 4.3Å; F261-S315 VanDerWaalsContact CE2-O 3.3Å; F261-S315 WeakPolarHBondContact CE2-O 3.18Å; F261-S315 WeakPolarHBondContact CZ-O 3.3Å; F261-A318 HydrophobicContact CD2-CB 3.79Å; F261-A318 HydrophobicContact CE2-CB 3.97Å; F261-A319 HydrophobicContact CD1-CB 3.69Å; F261-A319 HydrophobicContact CD2-CB 4.13Å; F261-A319 HydrophobicContact CE1-CB 3.61Å; F261-A319 HydrophobicContact CE2-CB 4.05Å; F261-A319 HydrophobicContact CG-CB 3.97Å; F261-A319 HydrophobicContact CZ-CB 3.79Å; F261-S322 WeakPolarHBondContact O-CB 3.15Å
262	S	97.7	Very high	98	Very high	38 Å²	38	33.5 Å²	33.5	27%	0.266	16%	0.162	S	C	.	.	S	Bend	trans	-79.9	-11.6	-173.1	61.1	0	0	0	0	115.1	L178 F258 I259	L178-S262 WeakPolarHBondContact CD2-OG 3.3Å; F258-S262 VanDerWaalsContact O-CB 3.31Å; F258-S262 WeakPolarHBondContact O-CB 3.49Å; F258-S262 PolarHBondContact O-N 2.86Å; I259-S262 PolarHBondContact O-N 3.31Å; I259-S262 PolarHBondContact O-OG 3.41Å
263	K	97.9	Very high	98	Very high	105 Å²	105	34.2 Å²	34.2	46%	0.457	17%	0.166	S	C	.	.	S	Bend	trans	-123.6	141.9	-176	-59.8	-62.9	-177.2	-178.3	0	111.4	L178 F261 Q265 L266 T267	L178-K263 HydrophobicContact CD2-CG 4.14Å; F261-K263 PolarHBondContact O-N 3.19Å; K263-Q265 PolarHBondContact O-N 3.19Å; K263-L266 HydrophobicContact CB-CD1 4.06Å; K263-L266 HydrophobicContact CB-CG 4.16Å; K263-L266 HydrophobicContact CG-CD1 4.33Å; K263-L266 WeakPolarHBondContact O-CB 3.16Å; K263-L266 PolarHBondContact O-N 3.16Å; K263-T267 PolarHBondContact O-N 3.36Å
264	P	97.6	Very high	97.9	Very high	94 Å²	94	33.9 Å²	33.9	61%	0.61	17%	0.165	S	C	*	.	H	α-helix	trans	-55.1	-37	177.1	-27.7	35.7	0	0	0	113.9	L266 T267 R268	P264-L266 VanDerWaalsContact C-N 3.26Å; P264-L266 PolarHBondContact O-N 3.3Å; P264-T267 PolarHBondContact O-N 3.19Å; P264-T267 PolarHBondContact O-OG1 3.07Å; P264-R268 WeakPolarHBondContact O-CB 3.35Å; P264-R268 PolarHBondContact O-N 3.04Å
265	Q	97.4	Very high	97.9	Very high	112 Å²	112	32.7 Å²	32.7	52%	0.523	16%	0.159	S	C	.	.	H	α-helix	trans	-66.1	-29.9	178.3	-58.1	81.1	2.2	0	0	112.3	L174 K263	L174-Q265 HydrophobicContact CD1-CB 4.14Å; K263-Q265 PolarHBondContact O-N 3.19Å
266	L	98.3	Very high	97.9	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-76.8	-46	175	-65.4	173.8	0	0	0	110.7	F171 L174 F175 L178 K263 P264 R268 L269 R270	F171-L266 HydrophobicContact CD2-CB 4.47Å; F171-L266 HydrophobicContact CD2-CD2 3.89Å; F171-L266 HydrophobicContact CE2-CB 3.99Å; F171-L266 HydrophobicContact CE2-CD2 3.73Å; F171-L266 HydrophobicContact CE2-CG 4.42Å; F171-L266 HydrophobicContact CZ-CD2 4.35Å; L174-L266 HydrophobicContact CB-CD2 3.78Å; F175-L266 HydrophobicContact CB-CD2 3.98Å; F175-L266 HydrophobicContact CD2-CD1 4.27Å; L178-L266 HydrophobicContact CD2-CD1 3.66Å; K263-L266 HydrophobicContact CB-CD1 4.06Å; K263-L266 HydrophobicContact CB-CG 4.16Å; K263-L266 HydrophobicContact CG-CD1 4.33Å; K263-L266 WeakPolarHBondContact O-CB 3.16Å; K263-L266 PolarHBondContact O-N 3.16Å; P264-L266 VanDerWaalsContact C-N 3.26Å; P264-L266 PolarHBondContact O-N 3.3Å; L266-R268 VanDerWaalsContact C-N 3.28Å; L266-R268 PolarHBondContact O-N 2.83Å; L266-L269 PolarHBondContact O-N 3.3Å; L266-R270 PolarHBondContact O-N 2.9Å
267	T	98	Very high	97.8	Very high	10 Å²	10	32 Å²	32	6%	0.061	16%	0.157	C	C	.	.	H	α-helix	trans	-71.9	-23.4	-179.6	61.2	0	0	0	0	113.1	F261 K263 P264 L269 R270 G272 H323	F261-T267 HydrophobicContact CB-CG2 3.94Å; F261-T267 WeakPolarHBondContact O-CG2 3.4Å; K263-T267 PolarHBondContact O-N 3.36Å; P264-T267 PolarHBondContact O-N 3.19Å; P264-T267 PolarHBondContact O-OG1 3.07Å; T267-L269 PolarHBondContact O-N 3.33Å; T267-R270 CarbonylContact C-O 3.49Å; T267-R270 WeakPolarHBondContact CA-O 3.45Å; T267-R270 CarbonylContact O-C 3.56Å; T267-R270 VanDerWaalsContact O-C 3.31Å; T267-R270 PolarHBondContact O-N 3.35Å; T267-G272 VanDerWaalsContact O-CA 3.26Å; T267-G272 WeakPolarHBondContact O-CA 3.41Å; T267-G272 PolarHBondContact O-N 3.33Å; T267-H323 PolarHBondContact O-ND1 3.34Å; T267-H323 PolarHBondContact OG1-ND1 3.5Å
268	R	97.7	Very high	97.8	Very high	69 Å²	69	31.7 Å²	31.7	26%	0.26	16%	0.155	S	C	.	.	H	α-helix	trans	-53.9	-42	169.1	179.1	-178.1	-177.6	77.5	8.1	111.7	P264 L266 P273 G404 A407 E413	P264-R268 WeakPolarHBondContact O-CB 3.35Å; P264-R268 PolarHBondContact O-N 3.04Å; L266-R268 VanDerWaalsContact C-N 3.28Å; L266-R268 PolarHBondContact O-N 2.83Å; R268-P273 WeakPolarHBondContact O-CD 3.2Å; R268-G404 PolarHBondContact NH1-O 3.1Å; R268-A407 HydrophobicContact CG-CB 4.39Å; R268-A407 PolarHBondContact O-N 3.46Å; R268-E413 IonicContact CZ-OE1 2.83Å; R268-E413 IonicContact CZ-OE2 3.72Å; R268-E413 IonicContact NE-OE1 3.75Å; R268-E413 PolarHBondContact NE-OE1 2.85Å; R268-E413 IonicContact NE-OE2 3.68Å; R268-E413 PolarHBondContact NE-OE2 3.1Å; R268-E413 IonicContact NH2-OE1 3.85Å; R268-E413 PolarHBondContact NH2-OE1 3Å; R268-E413 IonicContact NH2-OE2 3.75Å; R268-E413 PolarHBondContact NH2-OE2 3.13Å
269	L	97.7	Very high	97.8	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-91.2	-21.7	-178	-58	174.1	0	0	0	112.4	K170 F171 L174 L266 T267 A407 I410 E413	K170-L269 HydrophobicContact CB-CD1 4.12Å; K170-L269 HydrophobicContact CD-CD1 4.27Å; K170-L269 HydrophobicContact CG-CD1 3.97Å; F171-L269 HydrophobicContact CB-CB 4.32Å; F171-L269 HydrophobicContact CB-CD1 3.85Å; F171-L269 HydrophobicContact CD2-CB 4.28Å; L174-L269 HydrophobicContact CD1-CD1 4Å; L266-L269 PolarHBondContact O-N 3.3Å; T267-L269 PolarHBondContact O-N 3.33Å; L269-A407 HydrophobicContact CD2-CB 4.29Å; L269-I410 HydrophobicContact CB-CD1 4.26Å; L269-I410 HydrophobicContact CD2-CD1 4.01Å; L269-I410 WeakPolarHBondContact O-CD1 3.28Å; L269-E413 HydrophobicContact CD2-CB 4.13Å
270	R	97.3	Very high	97.7	Very high	6 Å²	6	31.2 Å²	31.2	2%	0.023	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.1	118.2	-178.1	-62.7	-61.5	-177.2	174.8	1.3	111.8	K163 M164 S166 C168 F171 F261 L266 T267 G272 A319	K163-R270 PolarHBondContact O-NH1 2.86Å; M164-R270 HydrophobicContact SD-CB 3.76Å; M164-R270 HydrophobicContact SD-CG 4.3Å; S166-R270 PolarHBondContact O-NH1 3.5Å; S166-R270 PolarHBondContact O-NH2 2.74Å; S166-R270 PolarHBondContact OG-NH1 3.09Å; C168-R270 VanDerWaalsContact CB-NH2 3.35Å; F171-R270 HydrophobicContact CD2-CB 4.41Å; F171-R270 HydrophobicContact CD2-CG 3.4Å; F171-R270 HydrophobicContact CE2-CB 4.08Å; F171-R270 HydrophobicContact CE2-CG 3.32Å; F171-R270 HydrophobicContact CG-CG 4.06Å; F171-R270 HydrophobicContact CZ-CG 3.95Å; F261-R270 HydrophobicContact CD1-CB 4.06Å; F261-R270 HydrophobicContact CE1-CB 3.75Å; F261-R270 HydrophobicContact CE1-CG 4.3Å; L266-R270 PolarHBondContact O-N 2.9Å; T267-R270 CarbonylContact C-O 3.49Å; T267-R270 WeakPolarHBondContact CA-O 3.45Å; T267-R270 CarbonylContact O-C 3.56Å; T267-R270 VanDerWaalsContact O-C 3.31Å; T267-R270 PolarHBondContact O-N 3.35Å; R270-G272 PolarHBondContact O-N 3.47Å; R270-A319 HydrophobicContact CB-CB 4.42Å
271	G	97.2	Very high	97.7	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.01	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	-35.1	-176.3	0	0	0	0	0	112.9	L274 A275	G271-L274 PolarHBondContact O-N 2.99Å; G271-A275 PolarHBondContact O-N 2.72Å
272	G	97.6	Very high	97.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-55.1	-54	170.4	0	0	0	0	0	113.5	T267 R270 L274 A275 G276 Y406	T267-G272 VanDerWaalsContact O-CA 3.26Å; T267-G272 WeakPolarHBondContact O-CA 3.41Å; T267-G272 PolarHBondContact O-N 3.33Å; R270-G272 PolarHBondContact O-N 3.47Å; G272-L274 PolarHBondContact O-N 2.89Å; G272-A275 WeakPolarHBondContact O-CA 3.44Å; G272-A275 WeakPolarHBondContact O-CB 3.32Å; G272-A275 PolarHBondContact O-N 2.82Å; G272-G276 PolarHBondContact O-N 2.92Å; G272-Y406 VanDerWaalsContact CA-CB 3.45Å; G272-Y406 VanDerWaalsContact O-CB 3.23Å; G272-Y406 WeakPolarHBondContact O-CB 3.42Å
273	P	97.4	Very high	97.6	Very high	19 Å²	19	30.6 Å²	30.6	12%	0.123	15%	0.149	C	C	.	.	H	α-helix	trans	-58.6	-31.9	178	-26.7	36.1	0	0	0	112.9	R268 H277 A407 I410	R268-P273 WeakPolarHBondContact O-CD 3.2Å; P273-H277 VanDerWaalsContact O-CB 3.29Å; P273-H277 WeakPolarHBondContact O-CB 3.44Å; P273-H277 PolarHBondContact O-N 2.91Å; P273-A407 HydrophobicContact CG-CB 4.48Å; P273-I410 HydrophobicContact CG-CD1 4.18Å; P273-I410 HydrophobicContact CG-CG1 4.47Å
274	L	98	Very high	97.4	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-72.9	-35	174.5	-179.8	56.9	0	0	0	112.6	F54 L56 L161 L162 G271 G272 M278 Y310 T316 L320	F54-L274 HydrophobicContact CZ-CD1 4.42Å; L56-L274 HydrophobicContact CD1-CD2 4.48Å; L56-L274 HydrophobicContact CD2-CD2 3.75Å; L161-L274 HydrophobicContact CD1-CB 3.99Å; L161-L274 HydrophobicContact CD1-CD1 4Å; L161-L274 HydrophobicContact CD2-CD1 4.31Å; L161-L274 HydrophobicContact CG-CB 4.49Å; L161-L274 HydrophobicContact CG-CD1 3.94Å; L162-L274 HydrophobicContact CD2-CD1 4.16Å; L162-L274 HydrophobicContact CD2-CD2 4.27Å; G271-L274 PolarHBondContact O-N 2.99Å; G272-L274 PolarHBondContact O-N 2.89Å; L274-M278 WeakPolarHBondContact O-CB 3.5Å; L274-M278 PolarHBondContact O-N 2.83Å; L274-Y310 HydrophobicContact CD1-CD2 4.23Å; L274-Y310 HydrophobicContact CD1-CE2 4.44Å; L274-T316 HydrophobicContact CD2-CG2 3.74Å; L274-L320 HydrophobicContact CD2-CB 4.29Å; L274-L320 HydrophobicContact CD2-CD2 4.09Å; L274-L320 HydrophobicContact CG-CD1 4.36Å; L274-L320 HydrophobicContact CG-CD2 4.18Å
275	A	97.9	Very high	97.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64.3	-46.7	171.7	0	0	0	0	0	111.1	G271 G272 M278 M279 L320 L324	G271-A275 PolarHBondContact O-N 2.72Å; G272-A275 WeakPolarHBondContact O-CA 3.44Å; G272-A275 WeakPolarHBondContact O-CB 3.32Å; G272-A275 PolarHBondContact O-N 2.82Å; A275-M278 PolarHBondContact O-N 2.87Å; A275-M279 WeakPolarHBondContact O-CG 3.48Å; A275-M279 PolarHBondContact O-N 2.99Å; A275-L320 HydrophobicContact CB-CD1 3.7Å; A275-L324 HydrophobicContact CB-CD2 4.45Å
276	G	97.6	Very high	97.1	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-56.7	-52.7	174.4	0	0	0	0	0	111.9	G272 M278 M279 D280	G272-G276 PolarHBondContact O-N 2.92Å; G276-M278 VanDerWaalsContact C-N 3.31Å; G276-M278 PolarHBondContact O-N 3.24Å; G276-M279 WeakPolarHBondContact O-CA 3.37Å; G276-M279 WeakPolarHBondContact O-CB 3.44Å; G276-M279 PolarHBondContact O-N 3.02Å; G276-D280 PolarHBondContact O-N 3.22Å
277	H	97.5	Very high	96.8	Very high	46 Å²	46	23.5 Å²	23.5	21%	0.213	11%	0.111	C	C	.	.	H	α-helix	trans	-56.1	-41.2	176.6	175.6	84.6	0	0	0	113.4	L161 P273 M279 D280 L281 Y310	L161-H277 HydrophobicContact CD1-CB 3.8Å; P273-H277 VanDerWaalsContact O-CB 3.29Å; P273-H277 WeakPolarHBondContact O-CB 3.44Å; P273-H277 PolarHBondContact O-N 2.91Å; H277-M279 VanDerWaalsContact C-N 3.35Å; H277-D280 PolarHBondContact O-N 2.98Å; H277-L281 WeakPolarHBondContact NE2-CD1 3.31Å; H277-L281 WeakPolarHBondContact O-CG 3.43Å; H277-L281 PolarHBondContact O-N 2.81Å; H277-Y310 AromaticContact CD2-CE2 3.76Å; H277-Y310 AromaticContact NE2-CE2 3.5Å; H277-Y310 AromaticContact NE2-CZ 3.53Å; H277-Y310 PolarHBondContact NE2-OH 3.22Å
278	M	98	Very high	96.4	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-63.1	-41.8	175.7	179.2	-173.4	69.4	0	0	111.4	F54 L274 A275 G276 L281 F282 L324 V340 F355	F54-M278 HydrophobicContact CD1-CG 3.96Å; F54-M278 HydrophobicContact CD1-SD 3.88Å; F54-M278 HydrophobicContact CE1-CG 4.19Å; F54-M278 HydrophobicContact CE1-SD 4.03Å; F54-M278 HydrophobicContact CG-CG 4.16Å; L274-M278 WeakPolarHBondContact O-CB 3.5Å; L274-M278 PolarHBondContact O-N 2.83Å; A275-M278 PolarHBondContact O-N 2.87Å; G276-M278 VanDerWaalsContact C-N 3.31Å; G276-M278 PolarHBondContact O-N 3.24Å; M278-L281 PolarHBondContact O-N 3.45Å; M278-F282 HydrophobicContact CG-CD2 4.07Å; M278-F282 HydrophobicContact CG-CE2 3.56Å; M278-F282 HydrophobicContact CG-CZ 4.37Å; M278-F282 WeakPolarHBondContact O-CD2 3.46Å; M278-F282 PolarHBondContact O-N 2.95Å; M278-F282 HydrophobicContact SD-CE2 4.17Å; M278-L324 HydrophobicContact CE-CD1 4.32Å; M278-L324 HydrophobicContact CE-CD2 4.42Å; M278-V340 HydrophobicContact SD-CB 4.38Å; M278-V340 HydrophobicContact SD-CG1 4.48Å; M278-V340 HydrophobicContact SD-CG2 3.9Å; M278-F355 HydrophobicContact CE-CE1 4.13Å; M278-F355 HydrophobicContact CE-CZ 4.45Å
279	M	97.6	Very high	96	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-65.6	-39.1	175.7	-64.7	-53.3	-69.8	0	0	111.9	A275 G276 H277 L281 F282 R283 L353 F395 L398 E399 L402	A275-M279 WeakPolarHBondContact O-CG 3.48Å; A275-M279 PolarHBondContact O-N 2.99Å; G276-M279 WeakPolarHBondContact O-CA 3.37Å; G276-M279 WeakPolarHBondContact O-CB 3.44Å; G276-M279 PolarHBondContact O-N 3.02Å; H277-M279 VanDerWaalsContact C-N 3.35Å; M279-L281 PolarHBondContact O-N 3.2Å; M279-F282 PolarHBondContact O-N 2.93Å; M279-R283 WeakPolarHBondContact O-CB 3.26Å; M279-R283 PolarHBondContact O-N 3.35Å; M279-L353 HydrophobicContact CE-CD1 4.25Å; M279-L353 HydrophobicContact SD-CD1 4.09Å; M279-F395 HydrophobicContact CE-CD2 3.75Å; M279-F395 HydrophobicContact CE-CE1 4.35Å; M279-F395 HydrophobicContact CE-CE2 3.24Å; M279-F395 HydrophobicContact CE-CG 4.49Å; M279-F395 HydrophobicContact CE-CZ 3.61Å; M279-F395 HydrophobicContact SD-CE2 4.18Å; M279-L398 HydrophobicContact CE-CB 4.3Å; M279-L398 HydrophobicContact CE-CD2 4.33Å; M279-L398 HydrophobicContact CE-CG 4.25Å; M279-L398 HydrophobicContact SD-CD2 4.03Å; M279-L398 HydrophobicContact SD-CG 4.36Å; M279-E399 HydrophobicContact CE-CB 3.73Å; M279-E399 HydrophobicContact CE-CG 4.34Å; M279-L402 HydrophobicContact CG-CD1 3.61Å; M279-L402 HydrophobicContact SD-CD1 4.01Å
280	D	97	Very high	95.6	Very high	94 Å²	94	25.7 Å²	25.7	50%	0.503	13%	0.126	S	C	.	.	H	α-helix	trans	-61.4	-43.3	176.4	-66.2	-28.7	0	0	0	111.7	G276 H277 F282 R283 E284	G276-D280 PolarHBondContact O-N 3.22Å; H277-D280 PolarHBondContact O-N 2.98Å; D280-F282 VanDerWaalsContact C-N 3.32Å; D280-F282 PolarHBondContact O-N 3.48Å; D280-R283 PolarHBondContact O-N 2.98Å; D280-E284 WeakPolarHBondContact O-CB 3.11Å; D280-E284 PolarHBondContact O-N 3.29Å
281	L	97	Very high	95.1	Very high	7 Å²	7	31.1 Å²	31.1	4%	0.037	15%	0.149	C	C	.	.	H	α-helix	trans	-56.9	-45.4	174.8	-74	176.8	0	0	0	111.9	M52 F54 H277 M278 M279 R285 R305 V308	M52-L281 HydrophobicContact CE-CB 4.01Å; F54-L281 HydrophobicContact CD2-CD1 3.89Å; F54-L281 HydrophobicContact CE2-CD1 4.1Å; H277-L281 WeakPolarHBondContact NE2-CD1 3.31Å; H277-L281 WeakPolarHBondContact O-CG 3.43Å; H277-L281 PolarHBondContact O-N 2.81Å; M278-L281 PolarHBondContact O-N 3.45Å; M279-L281 PolarHBondContact O-N 3.2Å; L281-R285 PolarHBondContact O-N 3.19Å; L281-R305 VanDerWaalsContact CD2-CZ 3.46Å; L281-R305 VanDerWaalsContact CD2-NH1 3.27Å; L281-V308 HydrophobicContact CD1-CG1 4.02Å
282	F	97.6	Very high	94.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-70.5	-40.5	177.8	-69.2	-46.5	0	0	0	112.4	M52 F54 M278 M279 D280 E284 R285 I286 V340 L342 L353 F395	M52-F282 HydrophobicContact CB-CD1 4.43Å; M52-F282 HydrophobicContact CB-CE1 4.43Å; M52-F282 HydrophobicContact CG-CD1 4.26Å; M52-F282 HydrophobicContact CG-CE1 4.14Å; M52-F282 HydrophobicContact SD-CD1 3.75Å; M52-F282 HydrophobicContact SD-CE1 4.12Å; F54-F282 HydrophobicContact CB-CE1 4.14Å; F54-F282 HydrophobicContact CB-CZ 3.7Å; M278-F282 HydrophobicContact CG-CD2 4.07Å; M278-F282 HydrophobicContact CG-CE2 3.56Å; M278-F282 HydrophobicContact CG-CZ 4.37Å; M278-F282 WeakPolarHBondContact O-CD2 3.46Å; M278-F282 PolarHBondContact O-N 2.95Å; M278-F282 HydrophobicContact SD-CE2 4.17Å; M279-F282 PolarHBondContact O-N 2.93Å; D280-F282 VanDerWaalsContact C-N 3.32Å; D280-F282 PolarHBondContact O-N 3.48Å; F282-E284 VanDerWaalsContact C-N 3.32Å; F282-E284 PolarHBondContact O-N 3.35Å; F282-R285 WeakPolarHBondContact O-CB 3.42Å; F282-R285 PolarHBondContact O-N 2.86Å; F282-R285 VanDerWaalsContact O-N 3.17Å; F282-I286 VanDerWaalsContact O-CG1 3.28Å; F282-I286 WeakPolarHBondContact O-CG1 3.21Å; F282-I286 PolarHBondContact O-N 3.07Å; F282-V340 HydrophobicContact CE2-CB 4.22Å; F282-V340 HydrophobicContact CE2-CG1 3.65Å; F282-V340 HydrophobicContact CZ-CB 3.88Å; F282-V340 HydrophobicContact CZ-CG1 3.63Å; F282-L342 HydrophobicContact CB-CD2 4.28Å; F282-L342 HydrophobicContact CD1-CB 3.64Å; F282-L342 HydrophobicContact CD1-CD2 3.98Å; F282-L342 HydrophobicContact CD1-CG 4.32Å; F282-L342 HydrophobicContact CE1-CB 3.82Å; F282-L342 HydrophobicContact CG-CB 4.46Å; F282-L353 HydrophobicContact CD1-CD2 4.31Å; F282-L353 HydrophobicContact CD2-CD1 4.27Å; F282-L353 HydrophobicContact CD2-CD2 3.76Å; F282-L353 HydrophobicContact CE1-CD2 4.32Å; F282-L353 HydrophobicContact CE2-CD1 4.4Å; F282-L353 HydrophobicContact CE2-CD2 3.77Å; F282-L353 HydrophobicContact CG-CD2 4.04Å; F282-L353 HydrophobicContact CZ-CD2 4.05Å; F282-F395 HydrophobicContact CB-CD2 4.18Å; F282-F395 HydrophobicContact CB-CE2 3.43Å; F282-F395 VanDerWaalsContact CB-CE2 3.43Å; F282-F395 HydrophobicContact CB-CZ 4.15Å; F282-F395 HydrophobicContact CD2-CE2 4.44Å; F282-F395 HydrophobicContact CG-CE2 4.35Å
283	R	96.5	Very high	92.7	Very high	68 Å²	68	40.7 Å²	40.7	26%	0.257	20%	0.2	S	C	.	.	H	α-helix	trans	-60.7	-42.3	176.4	176.1	55.5	70	-176.2	8	111.3	M279 D280 R285 I286 N287 F395 E399	M279-R283 WeakPolarHBondContact O-CB 3.26Å; M279-R283 PolarHBondContact O-N 3.35Å; D280-R283 PolarHBondContact O-N 2.98Å; R283-R285 VanDerWaalsContact C-N 3.33Å; R283-R285 PolarHBondContact O-N 3.14Å; R283-I286 PolarHBondContact O-N 3.26Å; R283-N287 WeakPolarHBondContact O-CB 3.41Å; R283-N287 PolarHBondContact O-N 2.9Å; R283-N287 PolarHBondContact O-ND2 3.46Å; R283-N287 PolarHBondContact O-OD1 2.79Å; R283-F395 HydrophobicContact CB-CE1 4.43Å; R283-F395 HydrophobicContact CB-CZ 4.01Å; R283-F395 VanDerWaalsContact CZ-CE1 3.48Å; R283-E399 IonicContact CZ-OE1 2.64Å; R283-E399 IonicContact CZ-OE2 3.35Å; R283-E399 IonicContact NE-OE1 3.84Å; R283-E399 PolarHBondContact NE-OE1 2.64Å; R283-E399 IonicContact NE-OE2 3.77Å; R283-E399 IonicContact NH2-OE1 3.79Å; R283-E399 PolarHBondContact NH2-OE1 2.91Å; R283-E399 VanDerWaalsContact NH2-OE1 3.13Å; R283-E399 IonicContact NH2-OE2 2.81Å; R283-E399 PolarHBondContact NH2-OE2 2.99Å
284	E	94.5	Very high	91.4	Very high	80 Å²	80	46.2 Å²	46.2	37%	0.374	23%	0.228	S	C	.	.	H	α-helix	trans	-57.6	-46.4	173.9	-174.3	-173.2	131.4	0	0	111.3	D280 F282 N287 Q288 R305	D280-E284 WeakPolarHBondContact O-CB 3.11Å; D280-E284 PolarHBondContact O-N 3.29Å; F282-E284 VanDerWaalsContact C-N 3.32Å; F282-E284 PolarHBondContact O-N 3.35Å; E284-N287 PolarHBondContact O-N 3.33Å; E284-Q288 WeakPolarHBondContact O-CG 3.37Å; E284-Q288 PolarHBondContact O-N 2.93Å; E284-Q288 VanDerWaalsContact O-N 3.11Å; E284-R305 IonicContact OE1-CZ 2.8Å; E284-R305 IonicContact OE1-NE 2.66Å; E284-R305 IonicContact OE1-NH2 3.82Å; E284-R305 PolarHBondContact OE1-NH2 2.95Å; E284-R305 IonicContact OE2-CZ 3.37Å; E284-R305 IonicContact OE2-NH2 2.82Å; E284-R305 PolarHBondContact OE2-NH2 2.84Å
285	R	94	Very high	89.6	Confident	17 Å²	17	52.2 Å²	52.2	6%	0.064	25%	0.251	C	S	.	.	H	α-helix	trans	-63.4	-43.7	177.2	-176.6	68.4	179.9	105.5	12.4	112.5	L51 M52 L281 F282 R283 Q288 E289 L342	L51-R285 HydrophobicContact CB-CG 4.35Å; L51-R285 PolarHBondContact O-NE 3.46Å; L51-R285 PolarHBondContact O-NH2 3.41Å; M52-R285 HydrophobicContact CB-CG 3.98Å; M52-R285 HydrophobicContact SD-CB 3.89Å; M52-R285 HydrophobicContact SD-CG 4.27Å; L281-R285 PolarHBondContact O-N 3.19Å; F282-R285 WeakPolarHBondContact O-CB 3.42Å; F282-R285 PolarHBondContact O-N 2.86Å; F282-R285 VanDerWaalsContact O-N 3.17Å; R283-R285 VanDerWaalsContact C-N 3.33Å; R283-R285 PolarHBondContact O-N 3.14Å; R285-Q288 PolarHBondContact O-N 2.74Å; R285-E289 IonicContact CZ-OE1 3.41Å; R285-E289 IonicContact NH1-OE1 2.81Å; R285-E289 PolarHBondContact NH1-OE1 3.28Å; R285-E289 IonicContact NH2-OE1 3.68Å; R285-E289 PolarHBondContact NH2-OE1 3.23Å; R285-E289 PolarHBondContact O-N 2.99Å; R285-L342 HydrophobicContact CB-CD2 4.04Å; R285-L342 HydrophobicContact CG-CD2 3.91Å
286	I	94.4	Very high	87.6	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-58.8	-48.8	176.5	-71.2	170.7	0	0	0	110.3	F282 R283 Q288 E289 L290 L342 F351 F395	F282-I286 VanDerWaalsContact O-CG1 3.28Å; F282-I286 WeakPolarHBondContact O-CG1 3.21Å; F282-I286 PolarHBondContact O-N 3.07Å; R283-I286 PolarHBondContact O-N 3.26Å; I286-Q288 PolarHBondContact O-N 3.48Å; I286-E289 PolarHBondContact O-N 3.16Å; I286-E289 VanDerWaalsContact O-N 3.14Å; I286-L290 HydrophobicContact CG2-CD1 4.05Å; I286-L290 WeakPolarHBondContact O-CG 3.22Å; I286-L290 PolarHBondContact O-N 2.79Å; I286-L342 HydrophobicContact CD1-CD1 4.03Å; I286-L342 HydrophobicContact CD1-CD2 4.49Å; I286-L342 HydrophobicContact CG1-CD1 4.16Å; I286-L342 HydrophobicContact CG1-CD2 3.9Å; I286-F351 HydrophobicContact CB-CE1 4.46Å; I286-F351 HydrophobicContact CD1-CB 3.86Å; I286-F351 HydrophobicContact CD1-CD1 4.29Å; I286-F351 HydrophobicContact CD1-CD2 4.47Å; I286-F351 HydrophobicContact CD1-CG 3.96Å; I286-F351 HydrophobicContact CG1-CB 4.24Å; I286-F351 HydrophobicContact CG1-CD1 3.71Å; I286-F351 HydrophobicContact CG1-CD2 4.38Å; I286-F351 HydrophobicContact CG1-CE1 4.11Å; I286-F351 HydrophobicContact CG1-CG 3.85Å; I286-F351 HydrophobicContact CG2-CD1 4.36Å; I286-F351 HydrophobicContact CG2-CD2 3.84Å; I286-F351 HydrophobicContact CG2-CE1 4.21Å; I286-F351 HydrophobicContact CG2-CE2 3.71Å; I286-F351 HydrophobicContact CG2-CG 4.17Å; I286-F351 HydrophobicContact CG2-CZ 3.89Å; I286-F395 HydrophobicContact CD1-CB 4.18Å; I286-F395 HydrophobicContact CD1-CD1 3.33Å; I286-F395 HydrophobicContact CD1-CD2 3.74Å; I286-F395 HydrophobicContact CD1-CE1 3.59Å; I286-F395 HydrophobicContact CD1-CE2 3.98Å; I286-F395 HydrophobicContact CD1-CG 3.43Å; I286-F395 VanDerWaalsContact CD1-CG 3.43Å; I286-F395 HydrophobicContact CD1-CZ 3.9Å
287	N	92.7	Very high	85.5	Confident	68 Å²	68	69.1 Å²	69.1	36%	0.364	33%	0.331	S	S	.	.	H	α-helix	trans	-61.3	-35.1	-179.6	-69.7	-13.5	0	0	0	112	R283 E284 K291	R283-N287 WeakPolarHBondContact O-CB 3.41Å; R283-N287 PolarHBondContact O-N 2.9Å; R283-N287 PolarHBondContact O-ND2 3.46Å; R283-N287 PolarHBondContact O-OD1 2.79Å; E284-N287 PolarHBondContact O-N 3.33Å; N287-K291 VanDerWaalsContact O-CG 3.31Å; N287-K291 WeakPolarHBondContact O-CG 3.27Å; N287-K291 PolarHBondContact O-N 2.71Å; N287-K291 VanDerWaalsContact O-N 3.16Å
288	Q	89.3	Confident	83.4	Confident	44 Å²	44	74.6 Å²	74.6	21%	0.206	36%	0.362	C	S	.	.	H	α-helix	trans	-68.2	-43.9	174.8	-71	169.2	4.9	0	0	112	E284 R285 I286 L290 K291 K292 H304	E284-Q288 WeakPolarHBondContact O-CG 3.37Å; E284-Q288 PolarHBondContact O-N 2.93Å; E284-Q288 VanDerWaalsContact O-N 3.11Å; R285-Q288 PolarHBondContact O-N 2.74Å; I286-Q288 PolarHBondContact O-N 3.48Å; Q288-L290 VanDerWaalsContact C-N 3.3Å; Q288-L290 PolarHBondContact O-N 3.01Å; Q288-K291 PolarHBondContact O-N 2.82Å; Q288-K292 PolarHBondContact O-N 3.36Å; Q288-K292 VanDerWaalsContact O-N 3.09Å; Q288-H304 PolarHBondContact OE1-ND1 3Å
289	E	88.6	Confident	81.3	Confident	21 Å²	21	78 Å²	78	10%	0.098	39%	0.386	C	S	.	.	H	α-helix	trans	-62.9	-34.6	176.8	-79.8	-59.3	148	0	0	113.6	L51 R285 I286 S293 R344 F351	L51-E289 HydrophobicContact CD1-CG 3.87Å; L51-E289 HydrophobicContact CD2-CG 3.96Å; L51-E289 HydrophobicContact CG-CG 4.45Å; R285-E289 IonicContact CZ-OE1 3.41Å; R285-E289 IonicContact NH1-OE1 2.81Å; R285-E289 PolarHBondContact NH1-OE1 3.28Å; R285-E289 IonicContact NH2-OE1 3.68Å; R285-E289 PolarHBondContact NH2-OE1 3.23Å; R285-E289 PolarHBondContact O-N 2.99Å; I286-E289 PolarHBondContact O-N 3.16Å; I286-E289 VanDerWaalsContact O-N 3.14Å; E289-S293 PolarHBondContact O-N 3.32Å; E289-R344 PolarHBondContact O-NH1 2.86Å; E289-R344 IonicContact OE2-NH1 3.84Å; E289-F351 HydrophobicContact CB-CE1 4.4Å
290	L	89.7	Confident	79	Confident	63 Å²	63	84.9 Å²	84.9	33%	0.33	42%	0.422	S	S	.	.	H	α-helix	trans	-70.3	-40.5	174.2	-66.9	174.1	0	0	0	111.8	I286 Q288 K292 S293 F351	I286-L290 HydrophobicContact CG2-CD1 4.05Å; I286-L290 WeakPolarHBondContact O-CG 3.22Å; I286-L290 PolarHBondContact O-N 2.79Å; Q288-L290 VanDerWaalsContact C-N 3.3Å; Q288-L290 PolarHBondContact O-N 3.01Å; L290-K292 PolarHBondContact O-N 3.32Å; L290-S293 PolarHBondContact O-N 2.83Å; L290-S293 PolarHBondContact O-OG 3.47Å; L290-F351 HydrophobicContact CD1-CE2 4.48Å; L290-F351 HydrophobicContact CD2-CE2 4.01Å; L290-F351 HydrophobicContact CD2-CZ 4Å; L290-F351 HydrophobicContact CG-CE2 4.3Å; L290-F351 HydrophobicContact CG-CZ 4.17Å
291	K	86.4	Confident	76.9	Confident	119 Å²	119	88.1 Å²	88.1	52%	0.517	43%	0.434	S	S	.	.	H	α-helix	trans	-66.4	-24.2	176.1	-73.1	174	-178	-178.4	0	113.8	N287 Q288	N287-K291 VanDerWaalsContact O-CG 3.31Å; N287-K291 WeakPolarHBondContact O-CG 3.27Å; N287-K291 PolarHBondContact O-N 2.71Å; N287-K291 VanDerWaalsContact O-N 3.16Å; Q288-K291 PolarHBondContact O-N 2.82Å
292	K	77.6	Confident	74.9	Confident	131 Å²	131	93.2 Å²	93.2	57%	0.57	46%	0.457	S	S	*	.	H	α-helix	trans	-75	-32.1	176.9	-176.4	178.2	176.8	179	0	112	Q288 L290 D294	Q288-K292 PolarHBondContact O-N 3.36Å; Q288-K292 VanDerWaalsContact O-N 3.09Å; L290-K292 PolarHBondContact O-N 3.32Å; K292-D294 PolarHBondContact O-N 3.46Å
293	S	68.3	Low	72.9	Confident	72 Å²	72	95.8 Å²	95.8	50%	0.503	47%	0.471	S	S	.	.	H	α-helix	trans	-69	-23.6	173	41.7	0	0	0	0	113.1	E289 L290	E289-S293 PolarHBondContact O-N 3.32Å; L290-S293 PolarHBondContact O-N 2.83Å; L290-S293 PolarHBondContact O-OG 3.47Å
294	D	68.4	Low	71.9	Confident	134 Å²	134	94.1 Å²	94.1	72%	0.717	47%	0.466	S	S	*	.	H	α-helix	trans	-91.6	-15.4	-174.6	-60.4	-20.8	0	0	0	114.3	K292	K292-D294 PolarHBondContact O-N 3.46Å
295	R	61.4	Low	71.7	Confident	127 Å²	127	93.1 Å²	93.1	48%	0.479	46%	0.459	S	S	.	.	S	Bend	trans	-113.4	141.4	-175.9	-73.2	-170.6	-85.7	-165.5	1.9	112.3	K297	R295-K297 PolarHBondContact O-N 3.35Å
296	D	55	Low	71.7	Confident	149 Å²	149	96.5 Å²	96.5	80%	0.797	47%	0.471	S	S	*	.			trans	-52.3	135.4	169.2	-95.8	-33.8	0	0	0	110.5	D298 S299	D296-D298 PolarHBondContact O-N 3.04Å; D296-S299 PolarHBondContact O-N 3.05Å; D296-S299 PolarHBondContact O-OG 2.96Å
297	K	54	Low	71.8	Confident	207 Å²	207	96.4 Å²	96.4	90%	0.9	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-8.3	-168.9	-72.4	176	177.6	172.3	0	115.4	R295	R295-K297 PolarHBondContact O-N 3.35Å
298	D	53.1	Low	72.1	Confident	162 Å²	162	93.2 Å²	93.2	87%	0.866	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-6.7	-175.3	-76.9	-18.3	0	0	0	114.6	D296 L300	D296-D298 PolarHBondContact O-N 3.04Å; D298-L300 PolarHBondContact O-N 3.47Å
299	S	53.4	Low	72.5	Confident	72 Å²	72	91.1 Å²	91.1	50%	0.503	44%	0.444	S	S	.	.	S	Bend	trans	-83.6	85	178.1	51.7	0	0	0	0	113	D296	D296-S299 PolarHBondContact O-N 3.05Å; D296-S299 PolarHBondContact O-OG 2.96Å
300	L	50.8	Low	73	Confident	146 Å²	146	90.2 Å²	90.2	76%	0.764	44%	0.44	S	S	*	.			trans	44.2	124.4	150.8	-163	69.7	0	0	0	118.3	D298 Q302	D298-L300 PolarHBondContact O-N 3.47Å; L300-Q302 VanDerWaalsContact C-N 3.27Å; L300-Q302 PolarHBondContact O-N 2.9Å
301	E	51.3	Low	73.5	Confident	163 Å²	163	87.2 Å²	87.2	76%	0.762	42%	0.424	S	S	*	.			trans	-23	69	163.7	-63.5	-178.4	143.7	0	0	116.7	L303	E301-L303 HydrophobicContact CB-CG 4.47Å; E301-L303 PolarHBondContact O-N 2.96Å
302	Q	55.9	Low	74.1	Confident	113 Å²	113	81.6 Å²	81.6	53%	0.528	40%	0.4	S	S	.	.			trans	-77.7	83.5	163.3	-73.4	-172.5	15.2	0	0	105.8	L300 H304	L300-Q302 VanDerWaalsContact C-N 3.27Å; L300-Q302 PolarHBondContact O-N 2.9Å; Q302-H304 PolarHBondContact O-CD2 3.23Å; Q302-H304 PolarHBondContact O-CE1 3.3Å; Q302-H304 PolarHBondContact O-N 3.18Å; Q302-H304 PolarHBondContact O-ND1 3.4Å; Q302-H304 PolarHBondContact O-NE2 2.64Å
303	L	54.7	Low	75	Confident	55 Å²	55	75.7 Å²	75.7	29%	0.288	37%	0.374	S	S	.	.			trans	-59.4	121.9	173.8	-70.7	155.4	0	0	0	107.4	H112 D114 E115 E301	H112-L303 WeakPolarHBondContact CE1-CD1 3.49Å; H112-L303 WeakPolarHBondContact NE2-CD1 3.22Å; D114-L303 HydrophobicContact CB-CB 3.63Å; D114-L303 WeakPolarHBondContact CB-O 3.14Å; E115-L303 HydrophobicContact CG-CB 4.15Å; E115-L303 HydrophobicContact CG-CD2 4.04Å; E115-L303 WeakPolarHBondContact OE1-CD2 3.27Å; E301-L303 HydrophobicContact CB-CG 4.47Å; E301-L303 PolarHBondContact O-N 2.96Å
304	H	77.4	Confident	76.5	Confident	32 Å²	32	73 Å²	73	15%	0.148	35%	0.354	C	S	.	.			trans	-104.3	141	-169.3	-58.6	-72.7	0	0	0	110.1	D114 E115 Q288 Q302 R306	D114-H304 CarbonylContact O-C 3.53Å; E115-H304 WeakPolarHBondContact CA-O 2.98Å; Q288-H304 PolarHBondContact OE1-ND1 3Å; Q302-H304 PolarHBondContact O-CD2 3.23Å; Q302-H304 PolarHBondContact O-CE1 3.3Å; Q302-H304 PolarHBondContact O-N 3.18Å; Q302-H304 PolarHBondContact O-ND1 3.4Å; Q302-H304 PolarHBondContact O-NE2 2.64Å; H304-R306 WeakPolarHBondContact O-CG 3.39Å; H304-R306 PolarHBondContact O-N 2.92Å
305	R	89.6	Confident	77.9	Confident	60 Å²	60	67.2 Å²	67.2	23%	0.226	33%	0.325	C	S	.	.			trans	-60.1	107.2	174.5	-77.7	-170.5	-74	-169.2	-4	110.1	M52 D114 L281 E284	M52-R305 HydrophobicContact CE-CB 4.21Å; D114-R305 WeakPolarHBondContact O-CA 3.39Å; D114-R305 WeakPolarHBondContact O-CG 3.47Å; D114-R305 PolarHBondContact O-N 2.81Å; L281-R305 VanDerWaalsContact CD2-CZ 3.46Å; L281-R305 VanDerWaalsContact CD2-NH1 3.27Å; E284-R305 IonicContact OE1-CZ 2.8Å; E284-R305 IonicContact OE1-NE 2.66Å; E284-R305 IonicContact OE1-NH2 3.82Å; E284-R305 PolarHBondContact OE1-NH2 2.95Å; E284-R305 IonicContact OE2-CZ 3.37Å; E284-R305 IonicContact OE2-NH2 2.82Å; E284-R305 PolarHBondContact OE2-NH2 2.84Å
306	R	93.1	Very high	79.7	Confident	87 Å²	87	61.2 Å²	61.2	33%	0.328	30%	0.302	S	S	.	.			trans	-92.5	-34.9	174.9	-59.1	-166.3	-166	-144.4	-3.6	111.2	M52 V53 F106 E115 H304	M52-R306 CarbonylContact C-O 3.57Å; M52-R306 VanDerWaalsContact CA-O 3.31Å; M52-R306 WeakPolarHBondContact CA-O 3.42Å; V53-R306 PolarHBondContact N-O 2.89Å; F106-R306 HydrophobicContact CE1-CB 3.83Å; F106-R306 WeakPolarHBondContact CE1-O 3.26Å; F106-R306 HydrophobicContact CZ-CB 3.79Å; F106-R306 HydrophobicContact CZ-CG 4.25Å; F106-R306 VanDerWaalsContact O-CD 3.27Å; F106-R306 WeakPolarHBondContact O-CD 3.47Å; F106-R306 PolarHBondContact O-NH1 3.36Å; E115-R306 PolarHBondContact O-N 3.34Å; E115-R306 IonicContact OE1-NE 3.6Å; E115-R306 IonicContact OE1-NH2 3.51Å; E115-R306 WeakPolarHBondContact OE2-CD 3.35Å; E115-R306 IonicContact OE2-CZ 3.04Å; E115-R306 IonicContact OE2-NE 3.04Å; E115-R306 PolarHBondContact OE2-NE 3.37Å; H304-R306 WeakPolarHBondContact O-CG 3.39Å; H304-R306 PolarHBondContact O-N 2.92Å
307	F	97.7	Very high	81.8	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	124.4	-172.3	-170.3	-107.1	0	0	0	111.6	V53 I55 I99 Y103 V107 E115 T116 L117 F118 F133 F137 A309	V53-F307 HydrophobicContact CB-CD2 3.96Å; V53-F307 HydrophobicContact CB-CE2 4.42Å; V53-F307 HydrophobicContact CG1-CD2 4.12Å; V53-F307 HydrophobicContact CG1-CE2 4.06Å; V53-F307 WeakPolarHBondContact O-CA 3.48Å; I55-F307 HydrophobicContact CD1-CE1 4.46Å; I55-F307 HydrophobicContact CD1-CE2 4.36Å; I55-F307 HydrophobicContact CD1-CZ 3.64Å; I55-F307 HydrophobicContact CG1-CZ 4.06Å; I55-F307 HydrophobicContact CG2-CE2 4.15Å; I55-F307 HydrophobicContact CG2-CZ 4.46Å; I99-F307 HydrophobicContact CG2-CE2 3.77Å; I99-F307 HydrophobicContact CG2-CZ 3.69Å; Y103-F307 HydrophobicContact CD2-CE2 4.5Å; V107-F307 HydrophobicContact CG1-CB 4.21Å; V107-F307 HydrophobicContact CG2-CB 3.85Å; V107-F307 HydrophobicContact CG2-CD2 4.14Å; V107-F307 HydrophobicContact CG2-CG 4.13Å; E115-F307 PolarHBondContact O-N 3.43Å; T116-F307 VanDerWaalsContact CA-O 3.3Å; T116-F307 WeakPolarHBondContact CA-O 3.21Å; T116-F307 HydrophobicContact CG2-CB 4.45Å; T116-F307 HydrophobicContact CG2-CD1 3.92Å; L117-F307 PolarHBondContact N-O 2.81Å; F118-F307 HydrophobicContact CE1-CD1 4.44Å; F118-F307 HydrophobicContact CE1-CE1 4.04Å; F133-F307 HydrophobicContact CE1-CE1 4.22Å; F133-F307 HydrophobicContact CE1-CZ 4.39Å; F133-F307 HydrophobicContact CZ-CE1 4.41Å; F133-F307 HydrophobicContact CZ-CZ 4.12Å; F137-F307 HydrophobicContact CE1-CD1 4.22Å; F137-F307 HydrophobicContact CE1-CE1 4.18Å; F137-F307 HydrophobicContact CE2-CE1 4.07Å; F137-F307 HydrophobicContact CE2-CE2 4.47Å; F137-F307 AromaticContact CE2-CZ 3.99Å; F137-F307 HydrophobicContact CE2-CZ 3.99Å; F137-F307 AromaticContact CZ-CD1 3.96Å; F137-F307 HydrophobicContact CZ-CD1 3.96Å; F137-F307 AromaticContact CZ-CE1 3.82Å; F137-F307 HydrophobicContact CZ-CE1 3.82Å; F137-F307 HydrophobicContact CZ-CE2 4.49Å; F137-F307 HydrophobicContact CZ-CG 4.36Å; F137-F307 HydrophobicContact CZ-CZ 4.11Å; F307-A309 HydrophobicContact CD1-CB 4.37Å; F307-A309 HydrophobicContact CE1-CB 3.62Å; F307-A309 HydrophobicContact CZ-CB 4.04Å
308	V	98.4	Very high	83.9	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120.6	176.5	178.8	0	0	0	0	108.8	M52 V53 F54 I55 L117 L281 Y310	M52-V308 HydrophobicContact CE-CB 4.22Å; M52-V308 HydrophobicContact CE-CG2 3.31Å; V53-V308 PolarHBondContact O-N 2.87Å; F54-V308 CarbonylContact C-O 3.5Å; F54-V308 WeakPolarHBondContact CA-O 3.09Å; F54-V308 HydrophobicContact CD2-CB 4.09Å; F54-V308 HydrophobicContact CD2-CG1 3.83Å; F54-V308 HydrophobicContact CE2-CG1 4.15Å; I55-V308 PolarHBondContact N-O 2.9Å; L117-V308 HydrophobicContact CB-CG1 4.46Å; L117-V308 HydrophobicContact CB-CG2 4.26Å; L117-V308 HydrophobicContact CD2-CG1 4.25Å; L117-V308 WeakPolarHBondContact O-CA 3.46Å; L281-V308 HydrophobicContact CD1-CG1 4.02Å; V308-Y310 HydrophobicContact CG1-CD1 3.72Å; V308-Y310 HydrophobicContact CG1-CE1 3.26Å
309	A	98.8	Very high	86.1	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	115.8	-176.4	0	0	0	0	0	112.3	I55 L117 F118 R119 F307 F311	I55-A309 HydrophobicContact CD1-CB 3.71Å; I55-A309 VanDerWaalsContact CG1-CA 3.5Å; I55-A309 HydrophobicContact CG1-CB 3.48Å; I55-A309 VanDerWaalsContact CG1-CB 3.48Å; L117-A309 PolarHBondContact O-N 3.21Å; F118-A309 WeakPolarHBondContact CA-O 3.24Å; F118-A309 HydrophobicContact CD1-CB 3.72Å; F118-A309 HydrophobicContact CE1-CB 3.94Å; R119-A309 PolarHBondContact N-O 3.16Å; F307-A309 HydrophobicContact CD1-CB 4.37Å; F307-A309 HydrophobicContact CE1-CB 3.62Å; F307-A309 HydrophobicContact CZ-CB 4.04Å; A309-F311 HydrophobicContact CB-CE2 4.02Å; A309-F311 HydrophobicContact CB-CZ 4.04Å
310	Y	98.9	Very high	88.2	Confident	3 Å²	3	33.1 Å²	33.1	1%	0.012	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	136.3	-177.1	-74.4	11.3	0	0	0	111.2	F54 I55 L56 C57 L117 R119 L161 L162 L274 H277 V308	F54-Y310 HydrophobicContact CE2-CD1 4.39Å; F54-Y310 AromaticContact CE2-CD2 3.66Å; F54-Y310 HydrophobicContact CE2-CD2 3.66Å; F54-Y310 AromaticContact CE2-CE2 3.9Å; F54-Y310 HydrophobicContact CE2-CE2 3.9Å; F54-Y310 AromaticContact CE2-CG 3.96Å; F54-Y310 HydrophobicContact CE2-CG 3.96Å; F54-Y310 AromaticContact CZ-CD2 3.84Å; F54-Y310 HydrophobicContact CZ-CD2 3.84Å; F54-Y310 HydrophobicContact CZ-CE2 4.42Å; F54-Y310 HydrophobicContact CZ-CG 4.23Å; I55-Y310 PolarHBondContact O-N 3.32Å; L56-Y310 CarbonylContact C-O 3.48Å; L56-Y310 WeakPolarHBondContact CA-O 3.28Å; C57-Y310 PolarHBondContact N-O 3.04Å; L117-Y310 HydrophobicContact CD2-CE1 4.2Å; R119-Y310 HydrophobicContact CB-CD1 3.55Å; R119-Y310 HydrophobicContact CB-CE1 3.45Å; R119-Y310 VanDerWaalsContact CB-CE1 3.45Å; R119-Y310 HydrophobicContact CB-CG 4.3Å; R119-Y310 HydrophobicContact CG-CE1 4.37Å; R119-Y310 CarbonylContact O-C 3.54Å; R119-Y310 WeakPolarHBondContact O-CA 3.48Å; L161-Y310 HydrophobicContact CD2-CE2 4.12Å; L162-Y310 HydrophobicContact CD1-CD2 4.47Å; L162-Y310 HydrophobicContact CD2-CD2 3.77Å; L162-Y310 HydrophobicContact CD2-CE2 4.5Å; L162-Y310 HydrophobicContact CD2-CG 4.41Å; L274-Y310 HydrophobicContact CD1-CD2 4.23Å; L274-Y310 HydrophobicContact CD1-CE2 4.44Å; H277-Y310 AromaticContact CD2-CE2 3.76Å; H277-Y310 AromaticContact NE2-CE2 3.5Å; H277-Y310 AromaticContact NE2-CZ 3.53Å; H277-Y310 PolarHBondContact NE2-OH 3.22Å; V308-Y310 HydrophobicContact CG1-CD1 3.72Å; V308-Y310 HydrophobicContact CG1-CE1 3.26Å
311	F	98.9	Very high	90.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	123.5	-177.7	-54.9	-88.5	0	0	0	111.3	C57 H92 F118 R119 S120 S121 A130 F133 A309	C57-F311 HydrophobicContact CB-CD1 4.28Å; C57-F311 WeakPolarHBondContact O-CA 3.23Å; H92-F311 AromaticContact CE1-CD1 3.89Å; H92-F311 AromaticContact ND1-CE1 3.98Å; F118-F311 HydrophobicContact CD1-CE2 4.08Å; F118-F311 HydrophobicContact CD1-CZ 4.47Å; R119-F311 WeakPolarHBondContact O-CD2 3.33Å; R119-F311 PolarHBondContact O-N 3.34Å; S120-F311 CarbonylContact C-O 3.51Å; S120-F311 WeakPolarHBondContact CA-O 3.47Å; S120-F311 PolarHBondContact OG-O 2.96Å; S121-F311 PolarHBondContact N-O 3.45Å; A130-F311 HydrophobicContact CB-CB 4.16Å; A130-F311 HydrophobicContact CB-CD1 4.28Å; A130-F311 HydrophobicContact CB-CD2 3.27Å; A130-F311 HydrophobicContact CB-CE2 3.64Å; A130-F311 HydrophobicContact CB-CG 3.64Å; A130-F311 HydrophobicContact CB-CZ 4.29Å; F133-F311 HydrophobicContact CB-CE1 3.63Å; F133-F311 HydrophobicContact CB-CZ 3.75Å; F133-F311 HydrophobicContact CD1-CE1 4.13Å; F133-F311 AromaticContact CD1-CZ 3.56Å; F133-F311 HydrophobicContact CD1-CZ 3.56Å; F133-F311 AromaticContact CD2-CE1 3.89Å; F133-F311 HydrophobicContact CD2-CE1 3.89Å; F133-F311 HydrophobicContact CD2-CZ 4.14Å; F133-F311 HydrophobicContact CE1-CZ 4.21Å; F133-F311 AromaticContact CG-CE1 3.61Å; F133-F311 HydrophobicContact CG-CE1 3.61Å; F133-F311 AromaticContact CG-CZ 3.53Å; F133-F311 HydrophobicContact CG-CZ 3.53Å; A309-F311 HydrophobicContact CB-CE2 4.02Å; A309-F311 HydrophobicContact CB-CZ 4.04Å
312	A	98.6	Very high	92.7	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.008	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	-136.5	-171.1	0	0	0	0	0	112.2	L56 C57 H59 T126 L162 T316	L56-A312 HydrophobicContact CD1-CB 4.15Å; C57-A312 PolarHBondContact O-N 3.27Å; H59-A312 PolarHBondContact CD2-O 3.07Å; H59-A312 PolarHBondContact N-O 3.18Å; T126-A312 WeakPolarHBondContact CG2-O 3.48Å; L162-A312 HydrophobicContact CB-CB 4.16Å; A312-T316 HydrophobicContact CB-CG2 3.69Å; A312-T316 WeakPolarHBondContact CB-OG1 3.26Å
313	H	98.5	Very high	94.7	Very high	6 Å²	6	14.9 Å²	14.9	3%	0.028	7%	0.07	C	C	.	.			trans	-124.5	166.4	-169.7	-56.6	-70.3	0	0	0	112	H59 S121 T123 K163 S315 T316 L317	H59-H313 AromaticContact CD2-ND1 3.42Å; H59-H313 PolarHBondContact CD2-ND1 3.06Å; H59-H313 AromaticContact NE2-ND1 3.66Å; S121-H313 PolarHBondContact OG-NE2 3.02Å; T123-H313 PolarHBondContact OG1-CE1 3.47Å; T123-H313 PolarHBondContact OG1-NE2 2.89Å; K163-H313 PolarHBondContact NZ-NE2 2.83Å; H313-S315 PolarHBondContact O-N 2.8Å; H313-T316 PolarHBondContact N-OG1 2.78Å; H313-T316 WeakPolarHBondContact O-CB 3.43Å; H313-T316 PolarHBondContact O-N 2.93Å; H313-L317 PolarHBondContact O-N 3.42Å
314	D	98.3	Very high	96.7	Very high	16 Å²	16	12.3 Å²	12.3	9%	0.086	6%	0.056	C	C	.	.	H	α-helix	trans	-50.8	-46.9	167.4	36.1	28.8	0	0	0	111.5	R58 T316 L317 A318 K331 P332	R58-D314 IonicContact CZ-OD2 2.64Å; R58-D314 IonicContact NE-OD2 3.92Å; R58-D314 PolarHBondContact NE-OD2 2.96Å; R58-D314 IonicContact NH2-OD2 3.22Å; R58-D314 PolarHBondContact NH2-OD2 2.85Å; D314-T316 VanDerWaalsContact C-N 3.27Å; D314-T316 PolarHBondContact O-N 2.92Å; D314-L317 PolarHBondContact O-N 3.39Å; D314-A318 WeakPolarHBondContact O-CB 3.29Å; D314-A318 PolarHBondContact O-N 2.89Å; D314-K331 HydrophobicContact CB-CG 3.98Å; D314-P332 HydrophobicContact CB-CB 4.38Å; D314-P332 WeakPolarHBondContact O-CG 3.33Å
315	S	98.5	Very high	97.6	Very high	13 Å²	13	12.3 Å²	12.3	9%	0.091	7%	0.065	C	C	.	.	H	α-helix	trans	-60.2	-34.5	176.9	55	0	0	0	0	113.4	Q257 F261 H313 A319	Q257-S315 VanDerWaalsContact OE1-CA 3.27Å; Q257-S315 VanDerWaalsContact OE1-CB 3.32Å; F261-S315 VanDerWaalsContact CE2-O 3.3Å; F261-S315 WeakPolarHBondContact CE2-O 3.18Å; F261-S315 WeakPolarHBondContact CZ-O 3.3Å; H313-S315 PolarHBondContact O-N 2.8Å; S315-A319 WeakPolarHBondContact O-CB 3.35Å; S315-A319 PolarHBondContact O-N 2.05Å
316	T	98.8	Very high	97.9	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-68	-46.1	178.9	-45.9	0	0	0	0	110.9	L56 L162 M164 L274 A312 H313 D314 A319 L320	L56-T316 HydrophobicContact CD1-CG2 4.25Å; L56-T316 HydrophobicContact CD2-CG2 4.23Å; L162-T316 HydrophobicContact CD2-CG2 4.44Å; L162-T316 PolarHBondContact O-OG1 2.92Å; M164-T316 HydrophobicContact CE-CG2 3.75Å; L274-T316 HydrophobicContact CD2-CG2 3.74Å; A312-T316 HydrophobicContact CB-CG2 3.69Å; A312-T316 WeakPolarHBondContact CB-OG1 3.26Å; H313-T316 PolarHBondContact N-OG1 2.78Å; H313-T316 WeakPolarHBondContact O-CB 3.43Å; H313-T316 PolarHBondContact O-N 2.93Å; D314-T316 VanDerWaalsContact C-N 3.27Å; D314-T316 PolarHBondContact O-N 2.92Å; T316-A319 PolarHBondContact O-N 3.35Å; T316-L320 PolarHBondContact O-N 3.29Å; T316-L320 VanDerWaalsContact O-N 3.07Å
317	L	98.8	Very high	98.1	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-62.6	-49.1	173.7	-85.4	169.1	0	0	0	111.4	L56 R58 H313 D314 A319 L320 M321 P332 S336 L338	L56-L317 HydrophobicContact CB-CD2 4.47Å; L56-L317 HydrophobicContact CD2-CD2 3.91Å; L56-L317 HydrophobicContact CD2-CG 4.28Å; L56-L317 HydrophobicContact CG-CD2 4.04Å; L56-L317 HydrophobicContact CG-CG 4.34Å; L56-L317 WeakPolarHBondContact O-CD2 3.31Å; R58-L317 HydrophobicContact CB-CD1 3.92Å; H313-L317 PolarHBondContact O-N 3.42Å; D314-L317 PolarHBondContact O-N 3.39Å; L317-A319 VanDerWaalsContact C-N 3.3Å; L317-A319 PolarHBondContact O-N 3.48Å; L317-L320 PolarHBondContact O-N 2.88Å; L317-M321 HydrophobicContact CD2-SD 4.38Å; L317-M321 VanDerWaalsContact O-CB 3.24Å; L317-M321 WeakPolarHBondContact O-CB 3.48Å; L317-M321 WeakPolarHBondContact O-CG 3.4Å; L317-M321 PolarHBondContact O-N 2.92Å; L317-P332 HydrophobicContact CB-CB 3.98Å; L317-P332 HydrophobicContact CB-CG 3.69Å; L317-P332 HydrophobicContact CD1-CB 3.87Å; L317-S336 WeakPolarHBondContact CD1-OG 3.16Å; L317-L338 HydrophobicContact CD2-CB 3.67Å
318	A	98.7	Very high	98	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-58.5	-42.5	179.2	0	0	0	0	0	111.6	Q257 F261 D314 S322 Y327 P332	Q257-A318 HydrophobicContact CB-CB 4.14Å; F261-A318 HydrophobicContact CD2-CB 3.79Å; F261-A318 HydrophobicContact CE2-CB 3.97Å; D314-A318 WeakPolarHBondContact O-CB 3.29Å; D314-A318 PolarHBondContact O-N 2.89Å; A318-S322 WeakPolarHBondContact O-CB 3.46Å; A318-S322 PolarHBondContact O-N 3.1Å; A318-S322 PolarHBondContact O-OG 3.12Å; A318-Y327 HydrophobicContact CB-CD2 4.28Å; A318-Y327 HydrophobicContact CB-CE1 4.32Å; A318-Y327 HydrophobicContact CB-CE2 3.72Å; A318-P332 HydrophobicContact CB-CG 4.26Å
319	A	98.7	Very high	97.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.4	-51.4	177.8	0	0	0	0	0	112.3	M164 F261 R270 S315 T316 L317 S322 H323	M164-A319 HydrophobicContact CE-CB 4.15Å; M164-A319 HydrophobicContact CG-CB 4Å; M164-A319 HydrophobicContact SD-CB 3.75Å; F261-A319 HydrophobicContact CD1-CB 3.69Å; F261-A319 HydrophobicContact CD2-CB 4.13Å; F261-A319 HydrophobicContact CE1-CB 3.61Å; F261-A319 HydrophobicContact CE2-CB 4.05Å; F261-A319 HydrophobicContact CG-CB 3.97Å; F261-A319 HydrophobicContact CZ-CB 3.79Å; R270-A319 HydrophobicContact CB-CB 4.42Å; S315-A319 WeakPolarHBondContact O-CB 3.35Å; S315-A319 PolarHBondContact O-N 2.05Å; T316-A319 PolarHBondContact O-N 3.35Å; L317-A319 VanDerWaalsContact C-N 3.3Å; L317-A319 PolarHBondContact O-N 3.48Å; A319-S322 PolarHBondContact O-N 2.96Å; A319-H323 WeakPolarHBondContact O-CB 3.45Å; A319-H323 PolarHBondContact O-N 3.39Å
320	L	98.6	Very high	97.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.4	-49.2	179	176.2	60.9	0	0	0	111.3	L56 L274 A275 T316 L317 S322 H323 L324 L338	L56-L320 HydrophobicContact CD2-CB 4.44Å; L56-L320 HydrophobicContact CD2-CD2 3.58Å; L274-L320 HydrophobicContact CD2-CB 4.29Å; L274-L320 HydrophobicContact CD2-CD2 4.09Å; L274-L320 HydrophobicContact CG-CD1 4.36Å; L274-L320 HydrophobicContact CG-CD2 4.18Å; A275-L320 HydrophobicContact CB-CD1 3.7Å; T316-L320 PolarHBondContact O-N 3.29Å; T316-L320 VanDerWaalsContact O-N 3.07Å; L317-L320 PolarHBondContact O-N 2.88Å; L320-S322 VanDerWaalsContact C-N 3.28Å; L320-S322 PolarHBondContact O-N 2.64Å; L320-H323 WeakPolarHBondContact O-CB 3.45Å; L320-H323 PolarHBondContact O-N 2.99Å; L320-H323 VanDerWaalsContact O-N 3.14Å; L320-L324 HydrophobicContact CD1-CD1 3.97Å; L320-L324 HydrophobicContact CD1-CG 4.17Å; L320-L324 HydrophobicContact CG-CD1 3.99Å; L320-L324 WeakPolarHBondContact O-CG 3.24Å; L320-L324 PolarHBondContact O-N 2.71Å; L320-L338 HydrophobicContact CD2-CD2 3.58Å; L320-L338 HydrophobicContact CG-CD2 4.3Å
321	M	98.3	Very high	97.8	Very high	5 Å²	5	20.1 Å²	20.1	3%	0.025	12%	0.118	C	C	.	.	H	α-helix	trans	-64.2	-33.9	-179.6	-68.6	177.2	71.7	0	0	111.8	L317 L324 G325 V326 Y327 Y357 L373	L317-M321 HydrophobicContact CD2-SD 4.38Å; L317-M321 VanDerWaalsContact O-CB 3.24Å; L317-M321 WeakPolarHBondContact O-CB 3.48Å; L317-M321 WeakPolarHBondContact O-CG 3.4Å; L317-M321 PolarHBondContact O-N 2.92Å; M321-L324 PolarHBondContact O-N 3.19Å; M321-G325 PolarHBondContact O-N 2.67Å; M321-V326 HydrophobicContact CB-CG2 3.81Å; M321-V326 HydrophobicContact CE-CG2 4.12Å; M321-V326 HydrophobicContact CG-CG2 4Å; M321-V326 PolarHBondContact O-N 2.9Å; M321-Y327 HydrophobicContact CB-CD2 4.27Å; M321-Y327 HydrophobicContact CB-CG 4.46Å; M321-Y327 PolarHBondContact O-N 3.36Å; M321-Y327 VanDerWaalsContact O-N 3.13Å; M321-Y357 HydrophobicContact CE-CD2 4.43Å; M321-Y357 HydrophobicContact CE-CE2 4.47Å; M321-Y357 HydrophobicContact CE-CG 4.49Å; M321-Y357 HydrophobicContact SD-CD2 4.42Å; M321-Y357 HydrophobicContact SD-CE2 4.09Å; M321-L373 HydrophobicContact CE-CD1 3.84Å
322	S	98.3	Very high	97.7	Very high	27 Å²	27	20.2 Å²	20.2	19%	0.189	12%	0.118	C	C	.	.	H	α-helix	trans	-68.2	-41.3	174.7	-61.7	0	0	0	0	110.7	F261 A318 A319 L320 L324 G325 Y327	F261-S322 WeakPolarHBondContact O-CB 3.15Å; A318-S322 WeakPolarHBondContact O-CB 3.46Å; A318-S322 PolarHBondContact O-N 3.1Å; A318-S322 PolarHBondContact O-OG 3.12Å; A319-S322 PolarHBondContact O-N 2.96Å; L320-S322 VanDerWaalsContact C-N 3.28Å; L320-S322 PolarHBondContact O-N 2.64Å; S322-L324 VanDerWaalsContact C-N 3.32Å; S322-L324 PolarHBondContact O-N 3.44Å; S322-G325 PolarHBondContact O-N 3.37Å; S322-G325 VanDerWaalsContact O-N 3.12Å; S322-Y327 WeakPolarHBondContact OG-CB 3.16Å; S322-Y327 WeakPolarHBondContact OG-CD1 3.2Å
323	H	97.7	Very high	97.6	Very high	8 Å²	8	22.1 Å²	22.1	4%	0.037	13%	0.13	C	C	.	.	H	α-helix	trans	-63.9	-36.1	176.3	-168.2	78.8	0	0	0	113	T267 A319 L320 G325 K377 T405	T267-H323 PolarHBondContact O-ND1 3.34Å; T267-H323 PolarHBondContact OG1-ND1 3.5Å; A319-H323 WeakPolarHBondContact O-CB 3.45Å; A319-H323 PolarHBondContact O-N 3.39Å; L320-H323 WeakPolarHBondContact O-CB 3.45Å; L320-H323 PolarHBondContact O-N 2.99Å; L320-H323 VanDerWaalsContact O-N 3.14Å; H323-G325 VanDerWaalsContact C-N 3.3Å; H323-K377 WeakPolarHBondContact O-CE 3.31Å; H323-T405 PolarHBondContact CE1-O 3.37Å; H323-T405 PolarHBondContact CE1-OG1 3.01Å; H323-T405 PolarHBondContact NE2-OG1 3.48Å
324	L	96.6	Very high	97.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-9.8	174.8	-65.3	174.9	0	0	0	113.5	A275 M278 L320 M321 S322 V326 F355 P375 T376 L402	A275-L324 HydrophobicContact CB-CD2 4.45Å; M278-L324 HydrophobicContact CE-CD1 4.32Å; M278-L324 HydrophobicContact CE-CD2 4.42Å; L320-L324 HydrophobicContact CD1-CD1 3.97Å; L320-L324 HydrophobicContact CD1-CG 4.17Å; L320-L324 HydrophobicContact CG-CD1 3.99Å; L320-L324 WeakPolarHBondContact O-CG 3.24Å; L320-L324 PolarHBondContact O-N 2.71Å; M321-L324 PolarHBondContact O-N 3.19Å; S322-L324 VanDerWaalsContact C-N 3.32Å; S322-L324 PolarHBondContact O-N 3.44Å; L324-V326 HydrophobicContact CB-CG2 4.19Å; L324-F355 HydrophobicContact CD1-CD1 4.48Å; L324-F355 HydrophobicContact CD1-CE1 3.98Å; L324-P375 HydrophobicContact CB-CB 4.46Å; L324-P375 WeakPolarHBondContact O-CA 3.32Å; L324-P375 WeakPolarHBondContact O-CB 3.22Å; L324-T376 PolarHBondContact O-N 2.94Å; L324-L402 HydrophobicContact CD2-CD1 4.29Å; L324-L402 HydrophobicContact CD2-CD2 4.25Å
325	G	95.7	Very high	97.5	Very high	33 Å²	33	22.6 Å²	22.6	34%	0.34	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	23.7	-179	0	0	0	0	0	114.8	M321 S322 H323 T376	M321-G325 PolarHBondContact O-N 2.67Å; S322-G325 PolarHBondContact O-N 3.37Å; S322-G325 VanDerWaalsContact O-N 3.12Å; H323-G325 VanDerWaalsContact C-N 3.3Å; G325-T376 WeakPolarHBondContact O-CG2 3.37Å
326	V	95.6	Very high	97.5	Very high	21 Å²	21	22 Å²	22	13%	0.127	13%	0.129	C	C	.	.			trans	-114.3	1.3	179.9	-57.9	0	0	0	0	113.6	M321 L324 L373 W374 P375	M321-V326 HydrophobicContact CB-CG2 3.81Å; M321-V326 HydrophobicContact CE-CG2 4.12Å; M321-V326 HydrophobicContact CG-CG2 4Å; M321-V326 PolarHBondContact O-N 2.9Å; L324-V326 HydrophobicContact CB-CG2 4.19Å; V326-L373 HydrophobicContact CB-CB 4.49Å; V326-L373 HydrophobicContact CB-CD1 4.33Å; V326-L373 HydrophobicContact CG1-CB 4.42Å; V326-L373 HydrophobicContact CG2-CD1 3.98Å; V326-W374 VanDerWaalsContact CG1-C 3.5Å; V326-W374 WeakPolarHBondContact CG1-O 3.39Å; V326-P375 HydrophobicContact CG1-CB 4.16Å; V326-P375 HydrophobicContact CG1-CG 4.08Å
327	Y	97.3	Very high	97.4	Very high	33 Å²	33	22 Å²	22	13%	0.129	13%	0.129	C	C	.	.			trans	-73.8	129.9	177.7	-174.1	-124.1	0	0	0	111.1	Q257 F258 A318 M321 S322 G329 I330 P332	Q257-Y327 WeakPolarHBondContact CB-OH 3.47Å; F258-Y327 HydrophobicContact CB-CE1 4.48Å; A318-Y327 HydrophobicContact CB-CD2 4.28Å; A318-Y327 HydrophobicContact CB-CE1 4.32Å; A318-Y327 HydrophobicContact CB-CE2 3.72Å; M321-Y327 HydrophobicContact CB-CD2 4.27Å; M321-Y327 HydrophobicContact CB-CG 4.46Å; M321-Y327 PolarHBondContact O-N 3.36Å; M321-Y327 VanDerWaalsContact O-N 3.13Å; S322-Y327 WeakPolarHBondContact OG-CB 3.16Å; S322-Y327 WeakPolarHBondContact OG-CD1 3.2Å; Y327-G329 PolarHBondContact OH-O 3Å; Y327-I330 WeakPolarHBondContact CE2-O 3.12Å; Y327-I330 PolarHBondContact OH-O 3.28Å; Y327-I330 VanDerWaalsContact OH-O 3.09Å; Y327-P332 HydrophobicContact CE2-CG 4.29Å
328	N	95.9	Very high	97.4	Very high	109 Å²	109	22 Å²	22	58%	0.583	13%	0.129	S	C	*	.			trans	-90.8	5.3	-177.4	66.9	-6.5	0	0	0	113.8	I330	N328-I330 VanDerWaalsContact C-N 3.29Å; N328-I330 PolarHBondContact O-N 3.02Å; N328-I330 PolarHBondContact OD1-N 3.29Å
329	G	96.6	Very high	97.4	Very high	17 Å²	17	22 Å²	22	18%	0.175	13%	0.129	C	C	.	.	S	Bend	trans	84.2	-6.3	-178.4	0	0	0	0	0	115.2	Y327	Y327-G329 PolarHBondContact OH-O 3Å
330	I	97.5	Very high	97.4	Very high	92 Å²	92	22 Å²	22	47%	0.472	13%	0.129	S	C	.	.	S	Bend	trans	-99.8	135.2	-177.6	-62.4	163.2	0	0	0	110	Y327 N328 P332	Y327-I330 WeakPolarHBondContact CE2-O 3.12Å; Y327-I330 PolarHBondContact OH-O 3.28Å; Y327-I330 VanDerWaalsContact OH-O 3.09Å; N328-I330 VanDerWaalsContact C-N 3.29Å; N328-I330 PolarHBondContact O-N 3.02Å; N328-I330 PolarHBondContact OD1-N 3.29Å; I330-P332 WeakPolarHBondContact O-CD 3.3Å
331	K	97.4	Very high	97.3	Very high	42 Å²	42	22 Å²	22	18%	0.183	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-53.9	123.1	179	173.8	175	51.7	63	0	110	L253 D254 Q257 D314	L253-K331 HydrophobicContact CB-CD 4.2Å; D254-K331 WeakPolarHBondContact OD1-CB 3.43Å; D254-K331 PolarHBondContact OD1-N 2.94Å; Q257-K331 HydrophobicContact CG-CB 4.08Å; Q257-K331 HydrophobicContact CG-CG 4.07Å; D314-K331 HydrophobicContact CB-CG 3.98Å
332	P	98	Very high	97.2	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-52.7	128.3	178.6	-31.5	39	0	0	0	111.6	R58 D314 L317 A318 Y327 I330 Y357	R58-P332 VanDerWaalsContact CD-O 3.31Å; R58-P332 WeakPolarHBondContact CD-O 3.44Å; R58-P332 VanDerWaalsContact CZ-O 3.3Å; R58-P332 PolarHBondContact NH1-O 3.47Å; D314-P332 HydrophobicContact CB-CB 4.38Å; D314-P332 WeakPolarHBondContact O-CG 3.33Å; L317-P332 HydrophobicContact CB-CB 3.98Å; L317-P332 HydrophobicContact CB-CG 3.69Å; L317-P332 HydrophobicContact CD1-CB 3.87Å; A318-P332 HydrophobicContact CB-CG 4.26Å; Y327-P332 HydrophobicContact CE2-CG 4.29Å; I330-P332 WeakPolarHBondContact O-CD 3.3Å; P332-Y357 WeakPolarHBondContact CB-OH 3.08Å
333	P	96.5	Very high	97.1	Very high	41 Å²	41	20.4 Å²	20.4	27%	0.266	12%	0.119	S	C	.	.	P	Polyproline II helix	trans	-75.8	166.8	-174	34.6	-35.7	0	0	0	111.3	R58 S336 Y357 N359 T361	R58-P333 WeakPolarHBondContact CD-O 3.44Å; P333-S336 VanDerWaalsContact O-CB 3.27Å; P333-S336 WeakPolarHBondContact O-CB 3.45Å; P333-S336 PolarHBondContact O-N 3.45Å; P333-S336 PolarHBondContact O-OG 3.14Å; P333-Y357 WeakPolarHBondContact CD-OH 3.49Å; P333-N359 HydrophobicContact CG-CB 4.19Å; P333-T361 HydrophobicContact CB-CG2 3.6Å; P333-T361 HydrophobicContact CG-CG2 4.01Å
334	L	97.3	Very high	96.9	Very high	31 Å²	31	22.1 Å²	22.1	16%	0.162	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	141.3	-171.4	-67	162.8	0	0	0	111.1	R58 D61 S336 T361	R58-L334 VanDerWaalsContact CZ-CD2 3.49Å; D61-L334 HydrophobicContact CB-CD1 3.98Å; D61-L334 WeakPolarHBondContact OD1-CD1 2.86Å; L334-S336 PolarHBondContact O-N 3.12Å; L334-T361 WeakPolarHBondContact O-CG2 3.39Å
335	A	97.4	Very high	96.5	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.008	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	12.5	-175.3	0	0	0	0	0	115.8	R58 H59 Q91	R58-A335 WeakPolarHBondContact O-CA 2.9Å; H59-A335 PolarHBondContact O-N 2.82Å; Q91-A335 HydrophobicContact CB-CB 3.78Å; Q91-A335 HydrophobicContact CG-CB 4.46Å
336	S	97.4	Very high	95.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.			trans	-65.7	151.1	173.5	75	0	0	0	0	111	C57 R58 L317 P333 L334 Y357 L358	C57-S336 CarbonylContact C-O 3.51Å; C57-S336 VanDerWaalsContact CA-O 3.26Å; C57-S336 WeakPolarHBondContact CA-O 3.11Å; R58-S336 PolarHBondContact N-O 3.03Å; L317-S336 WeakPolarHBondContact CD1-OG 3.16Å; P333-S336 VanDerWaalsContact O-CB 3.27Å; P333-S336 WeakPolarHBondContact O-CB 3.45Å; P333-S336 PolarHBondContact O-N 3.45Å; P333-S336 PolarHBondContact O-OG 3.14Å; L334-S336 PolarHBondContact O-N 3.12Å; S336-Y357 WeakPolarHBondContact CB-OH 3.41Å; S336-Y357 PolarHBondContact OG-OH 2.68Å; S336-L358 CarbonylContact C-O 3.58Å; S336-L358 WeakPolarHBondContact CA-O 3.24Å; S336-L358 WeakPolarHBondContact CB-O 3.44Å
337	C	98	Very high	95.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	128.2	-175.5	-155.5	0	0	0	0	112.8	L56 C57 L95 Y357 L358	L56-C337 WeakPolarHBondContact O-CA 3.34Å; L56-C337 PolarHBondContact O-SG 3.42Å; L56-C337 VanDerWaalsContact O-SG 3.32Å; C57-C337 VanDerWaalsContact CA-SG 3.54Å; C57-C337 HydrophobicContact CB-CB 3.76Å; C57-C337 WeakPolarHBondContact CB-SG 3.42Å; C57-C337 WeakPolarHBondContact SG-CB 3.48Å; C57-C337 CovalentContact SG-SG 2.05Å; C57-C337 PolarHBondContact SG-SG 3.44Å; L95-C337 HydrophobicContact CD2-CB 4.45Å; C337-Y357 WeakPolarHBondContact O-CD2 3.37Å; C337-L358 PolarHBondContact N-O 2.86Å; C337-L358 PolarHBondContact O-N 3.47Å
338	L	98.3	Very high	94.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	130.9	164.7	176.2	70.7	0	0	0	108	I55 L56 L317 L320 V340 Y357 L373	I55-L338 CarbonylContact C-O 3.54Å; I55-L338 VanDerWaalsContact CA-O 3.24Å; I55-L338 WeakPolarHBondContact CA-O 3.32Å; L56-L338 PolarHBondContact N-O 2.95Å; L56-L338 PolarHBondContact O-N 3.37Å; L317-L338 HydrophobicContact CD2-CB 3.67Å; L320-L338 HydrophobicContact CD2-CD2 3.58Å; L320-L338 HydrophobicContact CG-CD2 4.3Å; L338-V340 HydrophobicContact CD1-CG2 4.44Å; L338-V340 HydrophobicContact CD2-CG2 4.26Å; L338-V340 HydrophobicContact CG-CG2 4.06Å; L338-Y357 HydrophobicContact CB-CD2 4.48Å; L338-L373 HydrophobicContact CD1-CD1 3.75Å
339	I	98.3	Very high	94.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.1	179.3	-58.1	166.1	0	0	0	107.2	V53 I55 I99 M102 Y103 E341 F355 Y356	V53-I339 HydrophobicContact CG1-CG2 4.13Å; I55-I339 HydrophobicContact CG2-CB 4.23Å; I55-I339 HydrophobicContact CG2-CG1 3.89Å; I55-I339 HydrophobicContact CG2-CG2 4.09Å; I99-I339 HydrophobicContact CD1-CD1 3.58Å; I99-I339 HydrophobicContact CD1-CG1 4.28Å; M102-I339 HydrophobicContact CE-CD1 4.09Å; Y103-I339 WeakPolarHBondContact OH-CG2 3.44Å; I339-E341 HydrophobicContact CG2-CG 4.47Å; I339-F355 WeakPolarHBondContact O-CA 3.17Å; I339-Y356 HydrophobicContact CG2-CD2 4.3Å; I339-Y356 PolarHBondContact N-O 3.27Å; I339-Y356 PolarHBondContact O-N 3.05Å
340	V	98.1	Very high	94	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	120.1	179.8	-168.9	0	0	0	0	108.8	V53 F54 M278 F282 L338 L353 R354 F355	V53-V340 WeakPolarHBondContact CA-O 3.42Å; F54-V340 HydrophobicContact CD1-CG2 4.39Å; F54-V340 PolarHBondContact N-O 3.29Å; F54-V340 PolarHBondContact O-N 2.88Å; M278-V340 HydrophobicContact SD-CB 4.38Å; M278-V340 HydrophobicContact SD-CG1 4.48Å; M278-V340 HydrophobicContact SD-CG2 3.9Å; F282-V340 HydrophobicContact CE2-CB 4.22Å; F282-V340 HydrophobicContact CE2-CG1 3.65Å; F282-V340 HydrophobicContact CZ-CB 3.88Å; F282-V340 HydrophobicContact CZ-CG1 3.63Å; L338-V340 HydrophobicContact CD1-CG2 4.44Å; L338-V340 HydrophobicContact CD2-CG2 4.26Å; L338-V340 HydrophobicContact CG-CG2 4.06Å; V340-L353 HydrophobicContact CG1-CB 4.47Å; V340-L353 HydrophobicContact CG1-CD2 4.3Å; V340-R354 CarbonylContact C-O 3.41Å; V340-R354 VanDerWaalsContact CA-O 3.31Å; V340-R354 WeakPolarHBondContact CA-O 3.49Å; V340-F355 HydrophobicContact CB-CD1 4.31Å; V340-F355 HydrophobicContact CB-CE1 4.3Å; V340-F355 HydrophobicContact CG1-CD1 3.91Å; V340-F355 HydrophobicContact CG1-CD2 4.43Å; V340-F355 HydrophobicContact CG1-CE1 3.62Å; V340-F355 HydrophobicContact CG1-CE2 4.18Å; V340-F355 HydrophobicContact CG1-CG 4.29Å; V340-F355 HydrophobicContact CG1-CZ 3.75Å; V340-F355 HydrophobicContact CG2-CD1 3.5Å; V340-F355 HydrophobicContact CG2-CE1 3.63Å; V340-F355 HydrophobicContact CG2-CG 4.37Å
341	E	97.1	Very high	93.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	135.7	-178.7	-62.6	-178.1	171.3	0	0	110	P45 L50 V53 Y103 I339 H343 L353 R354 Y356	P45-E341 WeakPolarHBondContact CB-OE2 3.37Å; P45-E341 WeakPolarHBondContact CG-OE1 3.41Å; P45-E341 WeakPolarHBondContact CG-OE2 3.44Å; L50-E341 HydrophobicContact CD1-CB 3.75Å; L50-E341 HydrophobicContact CD1-CG 4.11Å; V53-E341 HydrophobicContact CG2-CG 4.39Å; Y103-E341 HydrophobicContact CE1-CG 4.41Å; Y103-E341 WeakPolarHBondContact CE1-OE1 3.33Å; Y103-E341 VanDerWaalsContact CZ-OE1 3.24Å; Y103-E341 PolarHBondContact OH-OE1 3.24Å; I339-E341 HydrophobicContact CG2-CG 4.47Å; E341-H343 VanDerWaalsContact CB-NE2 3.34Å; E341-H343 WeakPolarHBondContact CB-NE2 3.27Å; E341-H343 IonicContact OE2-CE1 3.89Å; E341-H343 IonicContact OE2-NE2 2.65Å; E341-H343 PolarHBondContact OE2-NE2 3.13Å; E341-L353 CarbonylContact O-C 3.31Å; E341-L353 WeakPolarHBondContact O-CA 3.5Å; E341-R354 HydrophobicContact CB-CB 4.4Å; E341-R354 PolarHBondContact N-O 3.1Å; E341-R354 PolarHBondContact O-N 3.41Å; E341-Y356 HydrophobicContact CB-CE2 4.4Å; E341-Y356 HydrophobicContact CG-CD2 4.27Å; E341-Y356 HydrophobicContact CG-CE2 3.83Å; E341-Y356 WeakPolarHBondContact OE2-CE2 3.23Å; E341-Y356 PolarHBondContact OE2-OH 2.86Å
342	L	97.2	Very high	93.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.8	169.8	172.5	69.1	0	0	0	109.6	L51 M52 F282 R285 I286 F351 L353 F395	L51-L342 HydrophobicContact CB-CD2 4.19Å; L51-L342 HydrophobicContact CB-CG 4.23Å; L51-L342 HydrophobicContact CD1-CD2 4.42Å; L51-L342 HydrophobicContact CD1-CG 4.43Å; L51-L342 PolarHBondContact N-O 2.88Å; M52-L342 HydrophobicContact CB-CB 4.24Å; M52-L342 HydrophobicContact CB-CD2 4.32Å; M52-L342 PolarHBondContact N-O 3.31Å; M52-L342 PolarHBondContact O-N 3.01Å; F282-L342 HydrophobicContact CB-CD2 4.28Å; F282-L342 HydrophobicContact CD1-CB 3.64Å; F282-L342 HydrophobicContact CD1-CD2 3.98Å; F282-L342 HydrophobicContact CD1-CG 4.32Å; F282-L342 HydrophobicContact CE1-CB 3.82Å; F282-L342 HydrophobicContact CG-CB 4.46Å; R285-L342 HydrophobicContact CB-CD2 4.04Å; R285-L342 HydrophobicContact CG-CD2 3.91Å; I286-L342 HydrophobicContact CD1-CD1 4.03Å; I286-L342 HydrophobicContact CD1-CD2 4.49Å; I286-L342 HydrophobicContact CG1-CD1 4.16Å; I286-L342 HydrophobicContact CG1-CD2 3.9Å; L342-F351 HydrophobicContact CD1-CB 4.21Å; L342-L353 HydrophobicContact CB-CD2 3.93Å; L342-L353 HydrophobicContact CD1-CD2 3.83Å; L342-F395 HydrophobicContact CD1-CD2 4.41Å
343	H	95.1	Very high	93.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	158.9	178.3	-60.5	-104.1	0	0	0	112	D49 E341 F351 Y352	D49-H343 CarbonylContact O-C 3.5Å; D49-H343 WeakPolarHBondContact O-CA 3.49Å; D49-H343 WeakPolarHBondContact O-CB 3.38Å; D49-H343 IonicContact OD1-CE1 3.64Å; D49-H343 IonicContact OD1-CG 3.52Å; D49-H343 IonicContact OD1-ND1 2.79Å; D49-H343 PolarHBondContact OD1-ND1 2.8Å; D49-H343 IonicContact OD2-ND1 3.6Å; E341-H343 VanDerWaalsContact CB-NE2 3.34Å; E341-H343 WeakPolarHBondContact CB-NE2 3.27Å; E341-H343 IonicContact OE2-CE1 3.89Å; E341-H343 IonicContact OE2-NE2 2.65Å; E341-H343 PolarHBondContact OE2-NE2 3.13Å; H343-F351 VanDerWaalsContact O-CA 3.29Å; H343-F351 WeakPolarHBondContact O-CA 3.24Å; H343-Y352 HydrophobicContact CB-CD1 3.97Å; H343-Y352 HydrophobicContact CB-CD2 3.85Å; H343-Y352 HydrophobicContact CB-CE1 3.48Å; H343-Y352 VanDerWaalsContact CB-CE1 3.48Å; H343-Y352 HydrophobicContact CB-CE2 3.37Å; H343-Y352 HydrophobicContact CB-CG 4.16Å; H343-Y352 AromaticContact CD2-CE2 3.67Å; H343-Y352 AromaticContact CG-CE2 3.56Å; H343-Y352 AromaticContact CG-CZ 3.7Å; H343-Y352 PolarHBondContact N-O 2.9Å; H343-Y352 PolarHBondContact O-N 3.04Å
344	R	93.4	Very high	93.6	Very high	44 Å²	44	34 Å²	34	17%	0.166	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	113	170.1	178.7	179.5	-177.5	170.3	2.5	110.1	D49 L51 E289 L346 N349 F351	D49-R344 WeakPolarHBondContact CB-O 3.48Å; D49-R344 PolarHBondContact O-N 2.83Å; L51-R344 HydrophobicContact CD1-CB 3.69Å; L51-R344 HydrophobicContact CG-CB 4.19Å; E289-R344 PolarHBondContact O-NH1 2.86Å; E289-R344 IonicContact OE2-NH1 3.84Å; R344-L346 PolarHBondContact O-N 2.9Å; R344-N349 PolarHBondContact NE-OD1 2.79Å; R344-N349 PolarHBondContact NH2-OD1 2.8Å; R344-F351 HydrophobicContact CB-CD1 3.99Å; R344-F351 HydrophobicContact CB-CE1 3.92Å; R344-F351 HydrophobicContact CG-CD1 4.29Å; R344-F351 HydrophobicContact CG-CE1 3.93Å; R344-F351 HydrophobicContact CG-CZ 4.31Å
345	S	88.8	Confident	93.5	Very high	20 Å²	20	32.6 Å²	32.6	14%	0.14	18%	0.179	C	C	.	.			trans	-60.4	122	175.3	170.7	0	0	0	0	110.2	S347 S348 N349 N350	S345-S347 VanDerWaalsContact C-N 3.28Å; S345-S347 PolarHBondContact O-N 2.92Å; S345-S347 PolarHBondContact OG-OG 2.81Å; S345-S347 VanDerWaalsContact OG-OG 3.13Å; S345-S348 WeakPolarHBondContact CB-OG 3.27Å; S345-S348 PolarHBondContact OG-N 2.83Å; S345-S348 PolarHBondContact OG-OG 3.12Å; S345-N349 WeakPolarHBondContact O-CA 3.45Å; S345-N349 PolarHBondContact O-N 2.84Å; S345-N350 WeakPolarHBondContact CB-O 3.44Å; S345-N350 PolarHBondContact N-O 2.97Å
346	L	81.5	Confident	93.4	Very high	149 Å²	149	33.4 Å²	33.4	78%	0.78	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-30.6	177.4	-64.2	174.2	0	0	0	112.6	R344	R344-L346 PolarHBondContact O-N 2.9Å
347	S	83.2	Confident	93.4	Very high	118 Å²	118	34.3 Å²	34.3	83%	0.825	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-45.6	-177.4	54.5	0	0	0	0	113.1	S345	S345-S347 VanDerWaalsContact C-N 3.28Å; S345-S347 PolarHBondContact O-N 2.92Å; S345-S347 PolarHBondContact OG-OG 2.81Å; S345-S347 VanDerWaalsContact OG-OG 3.13Å
348	S	85.4	Confident	93.3	Very high	59 Å²	59	34.3 Å²	34.3	41%	0.413	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-8.7	-176.3	65.8	0	0	0	0	113.6	S345 N350	S345-S348 WeakPolarHBondContact CB-OG 3.27Å; S345-S348 PolarHBondContact OG-N 2.83Å; S345-S348 PolarHBondContact OG-OG 3.12Å; S348-N350 WeakPolarHBondContact CB-ND2 3.47Å; S348-N350 PolarHBondContact O-N 3.3Å; S348-N350 WeakPolarHBondContact OG-CB 3.27Å; S348-N350 PolarHBondContact OG-N 3.14Å; S348-N350 PolarHBondContact OG-ND2 3.45Å
349	N	86	Confident	93.1	Very high	80 Å²	80	37.6 Å²	37.6	43%	0.428	20%	0.203	S	C	.	.			trans	58.3	12.1	-171.4	-157.4	40.2	0	0	0	114.5	R344 S345	R344-N349 PolarHBondContact NE-OD1 2.79Å; R344-N349 PolarHBondContact NH2-OD1 2.8Å; S345-N349 WeakPolarHBondContact O-CA 3.45Å; S345-N349 PolarHBondContact O-N 2.84Å
350	N	92.1	Very high	92.6	Very high	102 Å²	102	38.6 Å²	38.6	55%	0.545	21%	0.207	S	C	.	.			trans	-87.2	152.2	-178.2	-70.4	-39.7	0	0	0	112.3	S345 S348	S345-N350 WeakPolarHBondContact CB-O 3.44Å; S345-N350 PolarHBondContact N-O 2.97Å; S348-N350 WeakPolarHBondContact CB-ND2 3.47Å; S348-N350 PolarHBondContact O-N 3.3Å; S348-N350 WeakPolarHBondContact OG-CB 3.27Å; S348-N350 PolarHBondContact OG-N 3.14Å; S348-N350 PolarHBondContact OG-ND2 3.45Å
351	F	95.1	Very high	92.1	Very high	30 Å²	30	40.3 Å²	40.3	13%	0.132	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	137.5	177.8	-58	-88.6	0	0	0	111.3	L51 I286 E289 L290 L342 H343 R344 F395	L51-F351 HydrophobicContact CD1-CD1 3.78Å; L51-F351 HydrophobicContact CD1-CE1 3.6Å; I286-F351 HydrophobicContact CB-CE1 4.46Å; I286-F351 HydrophobicContact CD1-CB 3.86Å; I286-F351 HydrophobicContact CD1-CD1 4.29Å; I286-F351 HydrophobicContact CD1-CD2 4.47Å; I286-F351 HydrophobicContact CD1-CG 3.96Å; I286-F351 HydrophobicContact CG1-CB 4.24Å; I286-F351 HydrophobicContact CG1-CD1 3.71Å; I286-F351 HydrophobicContact CG1-CD2 4.38Å; I286-F351 HydrophobicContact CG1-CE1 4.11Å; I286-F351 HydrophobicContact CG1-CG 3.85Å; I286-F351 HydrophobicContact CG2-CD1 4.36Å; I286-F351 HydrophobicContact CG2-CD2 3.84Å; I286-F351 HydrophobicContact CG2-CE1 4.21Å; I286-F351 HydrophobicContact CG2-CE2 3.71Å; I286-F351 HydrophobicContact CG2-CG 4.17Å; I286-F351 HydrophobicContact CG2-CZ 3.89Å; E289-F351 HydrophobicContact CB-CE1 4.4Å; L290-F351 HydrophobicContact CD1-CE2 4.48Å; L290-F351 HydrophobicContact CD2-CE2 4.01Å; L290-F351 HydrophobicContact CD2-CZ 4Å; L290-F351 HydrophobicContact CG-CE2 4.3Å; L290-F351 HydrophobicContact CG-CZ 4.17Å; L342-F351 HydrophobicContact CD1-CB 4.21Å; H343-F351 VanDerWaalsContact O-CA 3.29Å; H343-F351 WeakPolarHBondContact O-CA 3.24Å; R344-F351 HydrophobicContact CB-CD1 3.99Å; R344-F351 HydrophobicContact CB-CE1 3.92Å; R344-F351 HydrophobicContact CG-CD1 4.29Å; R344-F351 HydrophobicContact CG-CE1 3.93Å; R344-F351 HydrophobicContact CG-CZ 4.31Å; F351-F395 HydrophobicContact CB-CB 4Å; F351-F395 WeakPolarHBondContact O-CB 3.43Å; F351-F395 PolarHBondContact O-N 2.87Å
352	Y	94.4	Very high	91.8	Very high	26 Å²	26	47.6 Å²	47.6	10%	0.102	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	153.8	-179.2	65.2	-92	0	0	0	111.7	D49 H343 R354 S392 C393	D49-Y352 PolarHBondContact OD2-OH 3.3Å; H343-Y352 HydrophobicContact CB-CD1 3.97Å; H343-Y352 HydrophobicContact CB-CD2 3.85Å; H343-Y352 HydrophobicContact CB-CE1 3.48Å; H343-Y352 VanDerWaalsContact CB-CE1 3.48Å; H343-Y352 HydrophobicContact CB-CE2 3.37Å; H343-Y352 HydrophobicContact CB-CG 4.16Å; H343-Y352 AromaticContact CD2-CE2 3.67Å; H343-Y352 AromaticContact CG-CE2 3.56Å; H343-Y352 AromaticContact CG-CZ 3.7Å; H343-Y352 PolarHBondContact N-O 2.9Å; H343-Y352 PolarHBondContact O-N 3.04Å; Y352-R354 HydrophobicContact CD2-CG 4.28Å; Y352-R354 HydrophobicContact CE2-CG 4.22Å; Y352-R354 PolarHBondContact OH-NH2 3.02Å; Y352-S392 VanDerWaalsContact CD2-CB 3.46Å; Y352-C393 CarbonylContact C-O 3.38Å; Y352-C393 VanDerWaalsContact CA-O 3.29Å; Y352-C393 WeakPolarHBondContact CA-O 3.29Å
353	L	95.7	Very high	91.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	143.5	179.7	-63	174.2	0	0	0	110.9	M279 F282 V340 E341 L342 F355 C393 F395 L398	M279-L353 HydrophobicContact CE-CD1 4.25Å; M279-L353 HydrophobicContact SD-CD1 4.09Å; F282-L353 HydrophobicContact CD1-CD2 4.31Å; F282-L353 HydrophobicContact CD2-CD1 4.27Å; F282-L353 HydrophobicContact CD2-CD2 3.76Å; F282-L353 HydrophobicContact CE1-CD2 4.32Å; F282-L353 HydrophobicContact CE2-CD1 4.4Å; F282-L353 HydrophobicContact CE2-CD2 3.77Å; F282-L353 HydrophobicContact CG-CD2 4.04Å; F282-L353 HydrophobicContact CZ-CD2 4.05Å; V340-L353 HydrophobicContact CG1-CB 4.47Å; V340-L353 HydrophobicContact CG1-CD2 4.3Å; E341-L353 CarbonylContact O-C 3.31Å; E341-L353 WeakPolarHBondContact O-CA 3.5Å; L342-L353 HydrophobicContact CB-CD2 3.93Å; L342-L353 HydrophobicContact CD1-CD2 3.83Å; L353-F355 HydrophobicContact CB-CD2 4.41Å; L353-F355 HydrophobicContact CB-CE2 3.69Å; L353-F355 HydrophobicContact CB-CZ 4.31Å; L353-F355 HydrophobicContact CD1-CE2 4.22Å; L353-F355 HydrophobicContact CD1-CZ 4.1Å; L353-C393 PolarHBondContact N-O 2.93Å; L353-C393 PolarHBondContact O-N 3.46Å; L353-F395 HydrophobicContact CD1-CD2 3.91Å; L353-F395 HydrophobicContact CD1-CE2 4.45Å; L353-F395 HydrophobicContact CD2-CD2 4.23Å; L353-F395 HydrophobicContact CG-CD2 4.06Å; L353-L398 HydrophobicContact CD1-CD2 3.71Å
354	R	95	Very high	91.4	Very high	54 Å²	54	54 Å²	54	20%	0.204	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135.9	167.7	-62.6	-171.6	176.6	144.4	1.9	109.7	V340 E341 Y352 Y356	V340-R354 CarbonylContact C-O 3.41Å; V340-R354 VanDerWaalsContact CA-O 3.31Å; V340-R354 WeakPolarHBondContact CA-O 3.49Å; E341-R354 HydrophobicContact CB-CB 4.4Å; E341-R354 PolarHBondContact N-O 3.1Å; E341-R354 PolarHBondContact O-N 3.41Å; Y352-R354 HydrophobicContact CD2-CG 4.28Å; Y352-R354 HydrophobicContact CE2-CG 4.22Å; Y352-R354 PolarHBondContact OH-NH2 3.02Å; R354-Y356 HydrophobicContact CB-CD2 4.46Å; R354-Y356 HydrophobicContact CB-CE2 3.53Å; R354-Y356 WeakPolarHBondContact CD-OH 3.35Å
355	F	96	Very high	91.2	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.009	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.7	-177.5	-66.2	-104	0	0	0	109.5	M278 L324 I339 V340 L353 L373 P375 L398	M278-F355 HydrophobicContact CE-CE1 4.13Å; M278-F355 HydrophobicContact CE-CZ 4.45Å; L324-F355 HydrophobicContact CD1-CD1 4.48Å; L324-F355 HydrophobicContact CD1-CE1 3.98Å; I339-F355 WeakPolarHBondContact O-CA 3.17Å; V340-F355 HydrophobicContact CB-CD1 4.31Å; V340-F355 HydrophobicContact CB-CE1 4.3Å; V340-F355 HydrophobicContact CG1-CD1 3.91Å; V340-F355 HydrophobicContact CG1-CD2 4.43Å; V340-F355 HydrophobicContact CG1-CE1 3.62Å; V340-F355 HydrophobicContact CG1-CE2 4.18Å; V340-F355 HydrophobicContact CG1-CG 4.29Å; V340-F355 HydrophobicContact CG1-CZ 3.75Å; V340-F355 HydrophobicContact CG2-CD1 3.5Å; V340-F355 HydrophobicContact CG2-CE1 3.63Å; V340-F355 HydrophobicContact CG2-CG 4.37Å; L353-F355 HydrophobicContact CB-CD2 4.41Å; L353-F355 HydrophobicContact CB-CE2 3.69Å; L353-F355 HydrophobicContact CB-CZ 4.31Å; L353-F355 HydrophobicContact CD1-CE2 4.22Å; L353-F355 HydrophobicContact CD1-CZ 4.1Å; F355-L373 HydrophobicContact CB-CB 3.82Å; F355-L373 PolarHBondContact O-N 3.24Å; F355-P375 HydrophobicContact CD1-CG 4.09Å; F355-P375 HydrophobicContact CD2-CG 3.68Å; F355-P375 HydrophobicContact CE1-CG 4.09Å; F355-P375 HydrophobicContact CE2-CG 3.68Å; F355-P375 HydrophobicContact CG-CG 3.91Å; F355-P375 HydrophobicContact CZ-CG 3.9Å; F355-L398 HydrophobicContact CE2-CD2 4Å; F355-L398 HydrophobicContact CZ-CD2 3.64Å
356	Y	96	Very high	91.1	Very high	17 Å²	17	56.5 Å²	56.5	7%	0.067	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	152.6	179.2	-51.7	-87.8	0	0	0	110.3	P45 I339 E341 R354 I370 V371 N372	P45-Y356 HydrophobicContact CG-CE2 4.44Å; I339-Y356 HydrophobicContact CG2-CD2 4.3Å; I339-Y356 PolarHBondContact N-O 3.27Å; I339-Y356 PolarHBondContact O-N 3.05Å; E341-Y356 HydrophobicContact CB-CE2 4.4Å; E341-Y356 HydrophobicContact CG-CD2 4.27Å; E341-Y356 HydrophobicContact CG-CE2 3.83Å; E341-Y356 WeakPolarHBondContact OE2-CE2 3.23Å; E341-Y356 PolarHBondContact OE2-OH 2.86Å; R354-Y356 HydrophobicContact CB-CD2 4.46Å; R354-Y356 HydrophobicContact CB-CE2 3.53Å; R354-Y356 WeakPolarHBondContact CD-OH 3.35Å; Y356-I370 HydrophobicContact CD1-CG2 3.94Å; Y356-I370 HydrophobicContact CG-CG2 4.2Å; Y356-V371 CarbonylContact C-O 3.52Å; Y356-V371 WeakPolarHBondContact CA-O 3.22Å; Y356-N372 VanDerWaalsContact CD1-OD1 3.31Å; Y356-N372 WeakPolarHBondContact CD1-OD1 3.25Å; Y356-N372 WeakPolarHBondContact CE1-OD1 3.23Å
357	Y	96.7	Very high	91.1	Very high	19 Å²	19	51.7 Å²	51.7	8%	0.075	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	117.9	176.6	-169.8	-124.5	0	0	0	111	M321 P332 P333 S336 C337 L338 N359 V371 L373	M321-Y357 HydrophobicContact CE-CD2 4.43Å; M321-Y357 HydrophobicContact CE-CE2 4.47Å; M321-Y357 HydrophobicContact CE-CG 4.49Å; M321-Y357 HydrophobicContact SD-CD2 4.42Å; M321-Y357 HydrophobicContact SD-CE2 4.09Å; P332-Y357 WeakPolarHBondContact CB-OH 3.08Å; P333-Y357 WeakPolarHBondContact CD-OH 3.49Å; S336-Y357 WeakPolarHBondContact CB-OH 3.41Å; S336-Y357 PolarHBondContact OG-OH 2.68Å; C337-Y357 WeakPolarHBondContact O-CD2 3.37Å; L338-Y357 HydrophobicContact CB-CD2 4.48Å; Y357-N359 HydrophobicContact CD1-CB 3.86Å; Y357-N359 HydrophobicContact CE1-CB 3.6Å; Y357-V371 PolarHBondContact N-O 2.98Å; Y357-V371 PolarHBondContact O-N 3.45Å; Y357-L373 HydrophobicContact CG-CD1 4.34Å
358	L	95.8	Very high	91.1	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	112	170.6	-179.5	62.9	0	0	0	108.3	L95 V98 S336 C337 E360 I370	L95-L358 HydrophobicContact CD1-CD2 3.48Å; L95-L358 VanDerWaalsContact CD1-CD2 3.48Å; V98-L358 HydrophobicContact CG1-CD2 4.48Å; S336-L358 CarbonylContact C-O 3.58Å; S336-L358 WeakPolarHBondContact CA-O 3.24Å; S336-L358 WeakPolarHBondContact CB-O 3.44Å; C337-L358 PolarHBondContact N-O 2.86Å; C337-L358 PolarHBondContact O-N 3.47Å; L358-E360 HydrophobicContact CD1-CB 4.27Å; L358-I370 HydrophobicContact CB-CG1 4.38Å; L358-I370 HydrophobicContact CD1-CG1 3.89Å
359	N	93.2	Very high	91	Very high	68 Å²	68	52.1 Å²	52.1	36%	0.364	26%	0.259	S	S	.	.			trans	-115.8	6.8	-177.8	67.4	-8.2	0	0	0	113.7	P333 Y357	P333-N359 HydrophobicContact CG-CB 4.19Å; Y357-N359 HydrophobicContact CD1-CB 3.86Å; Y357-N359 HydrophobicContact CE1-CB 3.6Å
360	E	89.3	Confident	91.3	Very high	22 Å²	22	49.3 Å²	49.3	10%	0.103	24%	0.244	C	C	.	.			trans	-73.8	133.9	172.5	-179.5	57.2	-92.7	0	0	109.8	L358 K362 L365 K369	L358-E360 HydrophobicContact CD1-CB 4.27Å; E360-K362 WeakPolarHBondContact OE1-CB 3.41Å; E360-K362 PolarHBondContact OE1-N 3.18Å; E360-L365 HydrophobicContact CG-CD2 4.15Å; E360-L365 WeakPolarHBondContact O-CD2 3.48Å; E360-K369 HydrophobicContact CB-CD 4.36Å; E360-K369 HydrophobicContact CG-CD 4.45Å; E360-K369 WeakPolarHBondContact OE2-CD 3.36Å; E360-K369 WeakPolarHBondContact OE2-CE 3.45Å; E360-K369 IonicContact OE2-NZ 2.96Å; E360-K369 PolarHBondContact OE2-NZ 3.36Å
361	T	86.5	Confident	91.3	Very high	36 Å²	36	47.5 Å²	47.5	22%	0.221	24%	0.236	C	C	.	.			trans	-123	-20	-177.6	67.9	0	0	0	0	112.8	Y87 Q91 P333 L334	Y87-T361 PolarHBondContact OH-O 3.47Å; Y87-T361 VanDerWaalsContact OH-O 3.12Å; Q91-T361 PolarHBondContact NE2-O 2.72Å; P333-T361 HydrophobicContact CB-CG2 3.6Å; P333-T361 HydrophobicContact CG-CG2 4.01Å; L334-T361 WeakPolarHBondContact O-CG2 3.39Å
362	K	91.3	Very high	91.2	Very high	153 Å²	153	48.4 Å²	48.4	67%	0.665	24%	0.243	S	C	*	.	S	Bend	trans	-82.2	135.9	178.4	-66.3	-173.4	177.6	-175.5	0	109.1	E360 P364	E360-K362 WeakPolarHBondContact OE1-CB 3.41Å; E360-K362 PolarHBondContact OE1-N 3.18Å; K362-P364 CarbonylContact O-C 3.58Å
363	L	92.2	Very high	91.1	Very high	45 Å²	45	48.2 Å²	48.2	24%	0.236	24%	0.243	C	C	.	.	S	Bend	trans	-83.8	144.9	178.6	-64.9	-179.8	0	0	0	110.8	Y87 E90 Q91 E94 L365	Y87-L363 HydrophobicContact CD2-CD1 4.31Å; Y87-L363 HydrophobicContact CE2-CD1 3.84Å; Y87-L363 HydrophobicContact CE2-CG 4.1Å; E90-L363 HydrophobicContact CB-CD1 3.89Å; E90-L363 HydrophobicContact CG-CD1 3.47Å; E90-L363 VanDerWaalsContact CG-CD1 3.47Å; Q91-L363 HydrophobicContact CG-CG 4.45Å; E94-L363 HydrophobicContact CB-CD2 3.72Å; E94-L363 HydrophobicContact CG-CD2 3.88Å; L363-L365 HydrophobicContact CD2-CD2 3.96Å; L363-L365 HydrophobicContact CD2-CG 3.83Å
364	P	91.4	Very high	90.8	Very high	89 Å²	89	49.6 Å²	49.6	58%	0.578	25%	0.248	S	C	*	.	S	Bend	cis	-71.6	148.1	-7.8	31.5	-35.4	0	0	0	112	K362	K362-P364 CarbonylContact O-C 3.58Å
365	L	89.9	Confident	90.5	Very high	13 Å²	13	47 Å²	47	7%	0.068	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-69	134.5	-179.7	-61.5	-176.8	0	0	0	110.9	E94 L95 V98 E360 L363	E94-L365 HydrophobicContact CB-CD1 4.4Å; E94-L365 HydrophobicContact CB-CG 4.42Å; E94-L365 HydrophobicContact CG-CB 4.19Å; E94-L365 HydrophobicContact CG-CD1 4.29Å; E94-L365 HydrophobicContact CG-CG 3.96Å; L95-L365 HydrophobicContact CB-CD1 3.83Å; L95-L365 HydrophobicContact CD1-CD1 4.1Å; V98-L365 HydrophobicContact CG2-CB 4.01Å; E360-L365 HydrophobicContact CG-CD2 4.15Å; E360-L365 WeakPolarHBondContact O-CD2 3.48Å; L363-L365 HydrophobicContact CD2-CD2 3.96Å; L363-L365 HydrophobicContact CD2-CG 3.83Å
366	K	86.1	Confident	90	Very high	104 Å²	104	51 Å²	51	45%	0.452	26%	0.264	S	S	.	.			trans	-109	113.6	-173.3	-74.6	-172.2	-176.8	-172.9	0	111.5	D368 K369	K366-D368 VanDerWaalsContact C-N 3.33Å; K366-D368 VanDerWaalsContact CB-OD1 3.32Å; K366-D368 WeakPolarHBondContact CB-OD1 3.16Å; K366-D368 PolarHBondContact O-N 3.13Å; K366-K369 HydrophobicContact CB-CD 4.25Å; K366-K369 HydrophobicContact CB-CG 4.25Å; K366-K369 PolarHBondContact O-N 3.34Å
367	T	82.3	Confident	89.4	Confident	47 Å²	47	52.2 Å²	52.2	29%	0.288	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-73.4	-22.1	-177.4	51.6	0	0	0	0	113.9	V98 M102 K369 I370	V98-T367 HydrophobicContact CG1-CG2 3.37Å; M102-T367 HydrophobicContact CG-CG2 4.4Å; M102-T367 HydrophobicContact SD-CG2 4.25Å; T367-K369 PolarHBondContact O-N 3.49Å; T367-K369 VanDerWaalsContact O-N 3.13Å; T367-I370 HydrophobicContact CG2-CD1 4.38Å; T367-I370 WeakPolarHBondContact O-CB 3.38Å; T367-I370 WeakPolarHBondContact O-CD1 3.37Å; T367-I370 VanDerWaalsContact O-CG1 3.24Å; T367-I370 WeakPolarHBondContact O-CG1 3.44Å; T367-I370 PolarHBondContact O-N 3.02Å; T367-I370 VanDerWaalsContact O-N 3.12Å
368	D	83.5	Confident	88.8	Confident	94 Å²	94	51.3 Å²	51.3	50%	0.503	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-61.7	-16.2	173.2	54.1	-64.4	0	0	0	112.8	K366	K366-D368 VanDerWaalsContact C-N 3.33Å; K366-D368 VanDerWaalsContact CB-OD1 3.32Å; K366-D368 WeakPolarHBondContact CB-OD1 3.16Å; K366-D368 PolarHBondContact O-N 3.13Å
369	K	83.3	Confident	87.6	Confident	93 Å²	93	58.6 Å²	58.6	40%	0.404	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-91.6	4.5	177	-61.1	-172.3	174.8	-173.7	0	114.5	E360 K366 T367 V371	E360-K369 HydrophobicContact CB-CD 4.36Å; E360-K369 HydrophobicContact CG-CD 4.45Å; E360-K369 WeakPolarHBondContact OE2-CD 3.36Å; E360-K369 WeakPolarHBondContact OE2-CE 3.45Å; E360-K369 IonicContact OE2-NZ 2.96Å; E360-K369 PolarHBondContact OE2-NZ 3.36Å; K366-K369 HydrophobicContact CB-CD 4.25Å; K366-K369 HydrophobicContact CB-CG 4.25Å; K366-K369 PolarHBondContact O-N 3.34Å; T367-K369 PolarHBondContact O-N 3.49Å; T367-K369 VanDerWaalsContact O-N 3.13Å; K369-V371 PolarHBondContact O-N 3.28Å
370	I	92	Very high	86.1	Confident	20 Å²	20	57.9 Å²	57.9	10%	0.103	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-63.5	125.8	175.6	-69.2	170.8	0	0	0	109.4	M102 Y356 L358 T367	M102-I370 HydrophobicContact CE-CD1 3.55Å; M102-I370 HydrophobicContact SD-CD1 3.72Å; Y356-I370 HydrophobicContact CD1-CG2 3.94Å; Y356-I370 HydrophobicContact CG-CG2 4.2Å; L358-I370 HydrophobicContact CB-CG1 4.38Å; L358-I370 HydrophobicContact CD1-CG1 3.89Å; T367-I370 HydrophobicContact CG2-CD1 4.38Å; T367-I370 WeakPolarHBondContact O-CB 3.38Å; T367-I370 WeakPolarHBondContact O-CD1 3.37Å; T367-I370 VanDerWaalsContact O-CG1 3.24Å; T367-I370 WeakPolarHBondContact O-CG1 3.44Å; T367-I370 PolarHBondContact O-N 3.02Å; T367-I370 VanDerWaalsContact O-N 3.12Å
371	V	92.5	Very high	84.5	Confident	64 Å²	64	64.6 Å²	64.6	39%	0.388	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	129.4	-179.9	-178.8	0	0	0	0	109.6	Y356 Y357 K369 L373	Y356-V371 CarbonylContact C-O 3.52Å; Y356-V371 WeakPolarHBondContact CA-O 3.22Å; Y357-V371 PolarHBondContact N-O 2.98Å; Y357-V371 PolarHBondContact O-N 3.45Å; K369-V371 PolarHBondContact O-N 3.28Å; V371-L373 HydrophobicContact CG1-CD2 4.33Å; V371-L373 PolarHBondContact O-N 3.43Å
372	N	92.5	Very high	82.9	Confident	50 Å²	50	67.4 Å²	67.4	27%	0.267	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	125.1	169.1	-65.5	-70	0	0	0	109.7	Y356 Y391	Y356-N372 VanDerWaalsContact CD1-OD1 3.31Å; Y356-N372 WeakPolarHBondContact CD1-OD1 3.25Å; Y356-N372 WeakPolarHBondContact CE1-OD1 3.23Å; N372-Y391 HydrophobicContact CB-CD1 3.67Å; N372-Y391 HydrophobicContact CB-CD2 4.1Å; N372-Y391 HydrophobicContact CB-CE1 3.55Å; N372-Y391 HydrophobicContact CB-CE2 3.99Å; N372-Y391 HydrophobicContact CB-CG 3.94Å
373	L	92.5	Very high	81	Confident	21 Å²	21	65.6 Å²	65.6	11%	0.11	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	148.6	174.3	-62.8	-175.4	0	0	0	110.5	M321 V326 L338 F355 Y357 V371	M321-L373 HydrophobicContact CE-CD1 3.84Å; V326-L373 HydrophobicContact CB-CB 4.49Å; V326-L373 HydrophobicContact CB-CD1 4.33Å; V326-L373 HydrophobicContact CG1-CB 4.42Å; V326-L373 HydrophobicContact CG2-CD1 3.98Å; L338-L373 HydrophobicContact CD1-CD1 3.75Å; F355-L373 HydrophobicContact CB-CB 3.82Å; F355-L373 PolarHBondContact O-N 3.24Å; Y357-L373 HydrophobicContact CG-CD1 4.34Å; V371-L373 HydrophobicContact CG1-CD2 4.33Å; V371-L373 PolarHBondContact O-N 3.43Å
374	W	89.4	Confident	79	Confident	29 Å²	29	67.2 Å²	67.2	11%	0.11	34%	0.341	C	S	.	.			trans	-131.2	100.6	177	-177.9	-88.8	0	0	0	109.8	V326 T376 C378 T380 R381 N390 Y391	V326-W374 VanDerWaalsContact CG1-C 3.5Å; V326-W374 WeakPolarHBondContact CG1-O 3.39Å; W374-T376 PolarHBondContact O-N 2.98Å; W374-C378 HydrophobicContact CH2-CB 4.08Å; W374-C378 HydrophobicContact CZ2-CB 3.46Å; W374-C378 VanDerWaalsContact CZ2-CB 3.46Å; W374-T380 WeakPolarHBondContact CH2-O 3.41Å; W374-T380 VanDerWaalsContact CZ2-C 3.41Å; W374-T380 WeakPolarHBondContact CZ2-O 3.34Å; W374-R381 HydrophobicContact CD2-CG 4.03Å; W374-R381 HydrophobicContact CG-CG 4.08Å; W374-R381 HydrophobicContact CZ2-CG 4.43Å; W374-N390 WeakPolarHBondContact CZ3-O 3.38Å; W374-Y391 HydrophobicContact CE3-CD1 4.28Å
375	P	88.8	Confident	77	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.349	C	S	.	.			trans	-55	129.3	173.7	-24	33.9	0	0	0	111.6	L324 V326 F355 K377 C378 L398	L324-P375 HydrophobicContact CB-CB 4.46Å; L324-P375 WeakPolarHBondContact O-CA 3.32Å; L324-P375 WeakPolarHBondContact O-CB 3.22Å; V326-P375 HydrophobicContact CG1-CB 4.16Å; V326-P375 HydrophobicContact CG1-CG 4.08Å; F355-P375 HydrophobicContact CD1-CG 4.09Å; F355-P375 HydrophobicContact CD2-CG 3.68Å; F355-P375 HydrophobicContact CE1-CG 4.09Å; F355-P375 HydrophobicContact CE2-CG 3.68Å; F355-P375 HydrophobicContact CG-CG 3.91Å; F355-P375 HydrophobicContact CZ-CG 3.9Å; P375-K377 PolarHBondContact O-N 3.45Å; P375-C378 VanDerWaalsContact O-CB 3.31Å; P375-C378 WeakPolarHBondContact O-CB 3.45Å; P375-C378 PolarHBondContact O-N 3.42Å; P375-L398 HydrophobicContact CB-CD1 4.46Å
376	T	85.8	Confident	75.2	Confident	87 Å²	87	71.9 Å²	71.9	53%	0.534	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-58.9	-32.5	179.8	51.3	0	0	0	0	111.3	L324 G325 W374 C378 E379	L324-T376 PolarHBondContact O-N 2.94Å; G325-T376 WeakPolarHBondContact O-CG2 3.37Å; W374-T376 PolarHBondContact O-N 2.98Å; T376-C378 PolarHBondContact O-N 3.13Å; T376-C378 VanDerWaalsContact O-N 3.1Å; T376-E379 PolarHBondContact O-N 3.18Å; T376-E379 VanDerWaalsContact O-N 3.13Å
377	K	82.4	Confident	73.6	Confident	42 Å²	42	76.8 Å²	76.8	18%	0.183	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-64.8	-4.6	175.4	-68.7	-168.9	177.5	-171.5	0	115.5	H323 P375 L398 S401 L402 T405	H323-K377 WeakPolarHBondContact O-CE 3.31Å; P375-K377 PolarHBondContact O-N 3.45Å; K377-L398 HydrophobicContact CB-CD1 3.8Å; K377-S401 WeakPolarHBondContact CB-OG 3.44Å; K377-S401 WeakPolarHBondContact O-CB 3.38Å; K377-S401 PolarHBondContact O-OG 3.38Å; K377-L402 HydrophobicContact CD-CD2 3.49Å; K377-L402 VanDerWaalsContact CD-CD2 3.49Å; K377-L402 HydrophobicContact CD-CG 4.24Å; K377-T405 PolarHBondContact NZ-OG1 2.64Å
378	C	84.9	Confident	72.2	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-85.2	-10.2	172	-63.1	0	0	0	0	113.3	W374 P375 T376 T380 C393 K397	W374-C378 HydrophobicContact CH2-CB 4.08Å; W374-C378 HydrophobicContact CZ2-CB 3.46Å; W374-C378 VanDerWaalsContact CZ2-CB 3.46Å; P375-C378 VanDerWaalsContact O-CB 3.31Å; P375-C378 WeakPolarHBondContact O-CB 3.45Å; P375-C378 PolarHBondContact O-N 3.42Å; T376-C378 PolarHBondContact O-N 3.13Å; T376-C378 VanDerWaalsContact O-N 3.1Å; C378-T380 PolarHBondContact O-N 2.8Å; C378-T380 PolarHBondContact O-OG1 3.04Å; C378-C393 HydrophobicContact CB-CB 3.86Å; C378-C393 WeakPolarHBondContact CB-SG 3.48Å; C378-C393 WeakPolarHBondContact SG-CB 3.18Å; C378-C393 CovalentContact SG-SG 2.02Å; C378-C393 PolarHBondContact SG-SG 2.8Å; C378-K397 VanDerWaalsContact O-CE 3.24Å; C378-K397 WeakPolarHBondContact O-CE 3.34Å; C378-K397 PolarHBondContact O-NZ 2.66Å; C378-K397 VanDerWaalsContact O-NZ 3.14Å
379	E	70.4	Confident	71.2	Confident	153 Å²	153	79.6 Å²	79.6	72%	0.715	41%	0.406	S	S	*	.			trans	48.1	2.1	170.9	-73.7	-175.6	174.2	0	0	120.2	T376	T376-E379 PolarHBondContact O-N 3.18Å; T376-E379 VanDerWaalsContact O-N 3.13Å
380	T	61	Low	70.5	Confident	54 Å²	54	78 Å²	78	33%	0.331	40%	0.401	S	S	.	.			trans	-145.9	100.7	175.2	35.7	0	0	0	0	112.3	W374 C378 N382 K397	W374-T380 WeakPolarHBondContact CH2-O 3.41Å; W374-T380 VanDerWaalsContact CZ2-C 3.41Å; W374-T380 WeakPolarHBondContact CZ2-O 3.34Å; C378-T380 PolarHBondContact O-N 2.8Å; C378-T380 PolarHBondContact O-OG1 3.04Å; T380-N382 PolarHBondContact O-N 3.44Å; T380-N382 VanDerWaalsContact O-N 3.16Å; T380-K397 PolarHBondContact OG1-NZ 2.9Å
381	R	55.8	Low	70	Confident	163 Å²	163	80.5 Å²	80.5	62%	0.615	41%	0.41	S	S	*	.			trans	-78.4	89.6	162.4	-72.6	-173.8	-171.5	170.9	4.1	108.1	W374 L389	W374-R381 HydrophobicContact CD2-CG 4.03Å; W374-R381 HydrophobicContact CG-CG 4.08Å; W374-R381 HydrophobicContact CZ2-CG 4.43Å; R381-L389 HydrophobicContact CB-CD2 4.36Å
382	N	53	Low	69.8	Low	94 Å²	94	78.4 Å²	78.4	50%	0.503	40%	0.398	S	S	.	.			trans	-79.1	126.6	174.1	-68.3	-11.5	0	0	0	108.9	T380 N390	T380-N382 PolarHBondContact O-N 3.44Å; T380-N382 VanDerWaalsContact O-N 3.16Å; N382-N390 VanDerWaalsContact O-CB 3.27Å; N382-N390 WeakPolarHBondContact O-CB 3.09Å; N382-N390 PolarHBondContact O-N 3.46Å
383	H	50.7	Low	69.8	Low	115 Å²	115	76 Å²	76	53%	0.532	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-71.8	128.2	163.9	-70.7	-93.3	0	0	0	107.5
384	V	51	Low	69.8	Low	80 Å²	80	77.7 Å²	77.7	49%	0.485	40%	0.398	S	S	.	.	S	Bend	trans	-71.2	-35.8	177.8	-175.3	0	0	0	0	110.4	Q388 N390	V384-Q388 PolarHBondContact N-O 3.39Å; V384-N390 HydrophobicContact CG2-CB 3.52Å
385	D	50.1	Low	70.1	Confident	139 Å²	139	76.4 Å²	76.4	74%	0.743	39%	0.393	S	S	*	.	S	Bend	trans	-153.9	39.1	-179	-70.2	-57.7	0	0	0	112.3	K387	D385-K387 PolarHBondContact O-N 3.11Å
386	G	51.3	Low	70.3	Confident	61 Å²	61	82.7 Å²	82.7	63%	0.629	42%	0.422	S	S	*	.	S	Bend	trans	68.6	-18	-174.6	0	0	0	0	0	115.7
387	K	51.9	Low	70.6	Confident	207 Å²	207	81.6 Å²	81.6	90%	0.9	41%	0.41	S	S	*	.	S	Bend	trans	-109.8	-31.1	-178	-69.5	-179.1	179.4	175.5	0	115.2	D385	D385-K387 PolarHBondContact O-N 3.11Å
388	Q	53.5	Low	71.2	Confident	143 Å²	143	79.6 Å²	79.6	67%	0.668	40%	0.401	S	S	*	.	S	Bend	trans	-118.4	126.1	-174.5	-162	166.6	-3.9	0	0	111.2	V384	V384-Q388 PolarHBondContact N-O 3.39Å
389	L	61.5	Low	71.8	Confident	57 Å²	57	81.9 Å²	81.9	30%	0.298	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-73.4	127.9	177.2	-74.5	164.8	0	0	0	109.7	R381 Y391	R381-L389 HydrophobicContact CB-CD2 4.36Å; L389-Y391 HydrophobicContact CB-CD2 4.22Å; L389-Y391 HydrophobicContact CB-CE2 3.64Å; L389-Y391 HydrophobicContact CD1-CE2 4.49Å; L389-Y391 WeakPolarHBondContact CD1-OH 3.11Å; L389-Y391 WeakPolarHBondContact O-CD2 3.08Å; L389-Y391 PolarHBondContact O-N 3.17Å
390	N	70.6	Confident	73	Confident	59 Å²	59	79.3 Å²	79.3	32%	0.316	40%	0.403	S	S	.	.			trans	-77.3	108.3	168.7	-165.1	-8.9	0	0	0	109.3	W374 N382 V384 S392	W374-N390 WeakPolarHBondContact CZ3-O 3.38Å; N382-N390 VanDerWaalsContact O-CB 3.27Å; N382-N390 WeakPolarHBondContact O-CB 3.09Å; N382-N390 PolarHBondContact O-N 3.46Å; V384-N390 HydrophobicContact CG2-CB 3.52Å; N390-S392 PolarHBondContact O-N 3.25Å; N390-S392 WeakPolarHBondContact OD1-CB 2.95Å; N390-S392 PolarHBondContact OD1-N 3.45Å; N390-S392 PolarHBondContact OD1-OG 3.32Å
391	Y	80.9	Confident	74.5	Confident	72 Å²	72	78.4 Å²	78.4	28%	0.282	40%	0.398	S	S	.	.			trans	-86.6	18.6	175.4	-67.3	-82.1	0	0	0	113.4	N372 W374 L389	N372-Y391 HydrophobicContact CB-CD1 3.67Å; N372-Y391 HydrophobicContact CB-CD2 4.1Å; N372-Y391 HydrophobicContact CB-CE1 3.55Å; N372-Y391 HydrophobicContact CB-CE2 3.99Å; N372-Y391 HydrophobicContact CB-CG 3.94Å; W374-Y391 HydrophobicContact CE3-CD1 4.28Å; L389-Y391 HydrophobicContact CB-CD2 4.22Å; L389-Y391 HydrophobicContact CB-CE2 3.64Å; L389-Y391 HydrophobicContact CD1-CE2 4.49Å; L389-Y391 WeakPolarHBondContact CD1-OH 3.11Å; L389-Y391 WeakPolarHBondContact O-CD2 3.08Å; L389-Y391 PolarHBondContact O-N 3.17Å
392	S	87.5	Confident	76.4	Confident	20 Å²	20	70.7 Å²	70.7	14%	0.14	37%	0.369	C	S	.	.			trans	-90.5	105.5	179.2	-49.2	0	0	0	0	110.5	Y352 N390 P394	Y352-S392 VanDerWaalsContact CD2-CB 3.46Å; N390-S392 PolarHBondContact O-N 3.25Å; N390-S392 WeakPolarHBondContact OD1-CB 2.95Å; N390-S392 PolarHBondContact OD1-N 3.45Å; N390-S392 PolarHBondContact OD1-OG 3.32Å; S392-P394 WeakPolarHBondContact O-CD 3.24Å
393	C	92	Very high	78.4	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	116.9	175.6	178.6	0	0	0	0	110.3	Y352 L353 C378 F395	Y352-C393 CarbonylContact C-O 3.38Å; Y352-C393 VanDerWaalsContact CA-O 3.29Å; Y352-C393 WeakPolarHBondContact CA-O 3.29Å; L353-C393 PolarHBondContact N-O 2.93Å; L353-C393 PolarHBondContact O-N 3.46Å; C378-C393 HydrophobicContact CB-CB 3.86Å; C378-C393 WeakPolarHBondContact CB-SG 3.48Å; C378-C393 WeakPolarHBondContact SG-CB 3.18Å; C378-C393 CovalentContact SG-SG 2.02Å; C378-C393 PolarHBondContact SG-SG 2.8Å; C393-F395 PolarHBondContact O-N 3.23Å
394	P	93	Very high	80.5	Confident	56 Å²	56	69.8 Å²	69.8	36%	0.364	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	127.4	178.9	-23.6	33.9	0	0	0	111.3	S392 Q396 K397 L398	S392-P394 WeakPolarHBondContact O-CD 3.24Å; P394-Q396 PolarHBondContact O-N 3.34Å; P394-K397 HydrophobicContact CB-CB 4.01Å; P394-K397 WeakPolarHBondContact O-CB 3.5Å; P394-K397 PolarHBondContact O-N 3.2Å; P394-K397 VanDerWaalsContact O-N 3.17Å; P394-L398 PolarHBondContact O-N 2.83Å; P394-L398 VanDerWaalsContact O-N 3.15Å
395	F	95.6	Very high	82.7	Confident	3 Å²	3	68.1 Å²	68.1	1%	0.013	37%	0.367	C	S	.	.	H	α-helix	trans	-57	-51.8	-172.6	175.9	-91.6	0	0	0	112	M279 F282 R283 I286 L342 F351 L353 C393 K397 L398 E399	M279-F395 HydrophobicContact CE-CD2 3.75Å; M279-F395 HydrophobicContact CE-CE1 4.35Å; M279-F395 HydrophobicContact CE-CE2 3.24Å; M279-F395 HydrophobicContact CE-CG 4.49Å; M279-F395 HydrophobicContact CE-CZ 3.61Å; M279-F395 HydrophobicContact SD-CE2 4.18Å; F282-F395 HydrophobicContact CB-CD2 4.18Å; F282-F395 HydrophobicContact CB-CE2 3.43Å; F282-F395 VanDerWaalsContact CB-CE2 3.43Å; F282-F395 HydrophobicContact CB-CZ 4.15Å; F282-F395 HydrophobicContact CD2-CE2 4.44Å; F282-F395 HydrophobicContact CG-CE2 4.35Å; R283-F395 HydrophobicContact CB-CE1 4.43Å; R283-F395 HydrophobicContact CB-CZ 4.01Å; R283-F395 VanDerWaalsContact CZ-CE1 3.48Å; I286-F395 HydrophobicContact CD1-CB 4.18Å; I286-F395 HydrophobicContact CD1-CD1 3.33Å; I286-F395 HydrophobicContact CD1-CD2 3.74Å; I286-F395 HydrophobicContact CD1-CE1 3.59Å; I286-F395 HydrophobicContact CD1-CE2 3.98Å; I286-F395 HydrophobicContact CD1-CG 3.43Å; I286-F395 VanDerWaalsContact CD1-CG 3.43Å; I286-F395 HydrophobicContact CD1-CZ 3.9Å; L342-F395 HydrophobicContact CD1-CD2 4.41Å; F351-F395 HydrophobicContact CB-CB 4Å; F351-F395 WeakPolarHBondContact O-CB 3.43Å; F351-F395 PolarHBondContact O-N 2.87Å; L353-F395 HydrophobicContact CD1-CD2 3.91Å; L353-F395 HydrophobicContact CD1-CE2 4.45Å; L353-F395 HydrophobicContact CD2-CD2 4.23Å; L353-F395 HydrophobicContact CG-CD2 4.06Å; C393-F395 PolarHBondContact O-N 3.23Å; F395-K397 PolarHBondContact O-N 2.83Å; F395-L398 PolarHBondContact O-N 2.89Å; F395-E399 HydrophobicContact CE1-CB 4.25Å; F395-E399 HydrophobicContact CE1-CG 4.45Å; F395-E399 WeakPolarHBondContact CE1-OE1 3.36Å; F395-E399 WeakPolarHBondContact O-CB 3.32Å; F395-E399 PolarHBondContact O-N 2.86Å
396	Q	93.9	Very high	84.9	Confident	132 Å²	132	63.2 Å²	63.2	62%	0.617	34%	0.339	S	S	*	.	H	α-helix	trans	-60.4	-35.6	-178.8	-175.9	175.8	1.3	0	0	112.1	P394 E399 L400	P394-Q396 PolarHBondContact O-N 3.34Å; Q396-E399 PolarHBondContact O-N 3.48Å; Q396-L400 HydrophobicContact CG-CD1 4.12Å; Q396-L400 WeakPolarHBondContact O-CB 3.48Å; Q396-L400 VanDerWaalsContact O-CG 3.28Å; Q396-L400 WeakPolarHBondContact O-CG 3.36Å; Q396-L400 PolarHBondContact O-N 2.93Å
397	K	92.3	Very high	87	Confident	64 Å²	64	60.4 Å²	60.4	28%	0.278	31%	0.31	S	S	.	.	H	α-helix	trans	-66.6	-45.1	178.2	-173.1	173.4	-178.9	-177.4	0	111.3	C378 T380 P394 F395 S401	C378-K397 VanDerWaalsContact O-CE 3.24Å; C378-K397 WeakPolarHBondContact O-CE 3.34Å; C378-K397 PolarHBondContact O-NZ 2.66Å; C378-K397 VanDerWaalsContact O-NZ 3.14Å; T380-K397 PolarHBondContact OG1-NZ 2.9Å; P394-K397 HydrophobicContact CB-CB 4.01Å; P394-K397 WeakPolarHBondContact O-CB 3.5Å; P394-K397 PolarHBondContact O-N 3.2Å; P394-K397 VanDerWaalsContact O-N 3.17Å; F395-K397 PolarHBondContact O-N 2.83Å; K397-S401 WeakPolarHBondContact O-CB 3.25Å; K397-S401 PolarHBondContact O-N 3.18Å; K397-S401 VanDerWaalsContact O-N 3.09Å; K397-S401 PolarHBondContact O-OG 3.37Å
398	L	95.3	Very high	88.9	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-66.7	-39.5	176.1	-175.5	61.1	0	0	0	112.1	M279 L353 F355 P375 K377 P394 F395 S401 L402	M279-L398 HydrophobicContact CE-CB 4.3Å; M279-L398 HydrophobicContact CE-CD2 4.33Å; M279-L398 HydrophobicContact CE-CG 4.25Å; M279-L398 HydrophobicContact SD-CD2 4.03Å; M279-L398 HydrophobicContact SD-CG 4.36Å; L353-L398 HydrophobicContact CD1-CD2 3.71Å; F355-L398 HydrophobicContact CE2-CD2 4Å; F355-L398 HydrophobicContact CZ-CD2 3.64Å; P375-L398 HydrophobicContact CB-CD1 4.46Å; K377-L398 HydrophobicContact CB-CD1 3.8Å; P394-L398 PolarHBondContact O-N 2.83Å; P394-L398 VanDerWaalsContact O-N 3.15Å; F395-L398 PolarHBondContact O-N 2.89Å; L398-S401 WeakPolarHBondContact CA-OG 3.5Å; L398-S401 PolarHBondContact O-N 3.43Å; L398-S401 PolarHBondContact O-OG 2.94Å; L398-S401 VanDerWaalsContact O-OG 3.04Å; L398-L402 HydrophobicContact CD1-CD1 4.07Å; L398-L402 HydrophobicContact CD1-CG 4.11Å; L398-L402 HydrophobicContact CD2-CD1 4.41Å; L398-L402 HydrophobicContact CG-CD1 3.85Å; L398-L402 HydrophobicContact CG-CG 4.3Å; L398-L402 WeakPolarHBondContact O-CB 3.4Å; L398-L402 VanDerWaalsContact O-CG 3.25Å; L398-L402 WeakPolarHBondContact O-CG 3.44Å; L398-L402 PolarHBondContact O-N 3.04Å
399	E	96.1	Very high	90.8	Very high	47 Å²	47	54.1 Å²	54.1	22%	0.22	30%	0.295	C	S	.	.	H	α-helix	trans	-60.7	-48.9	178.4	-170.8	-172.5	-117	0	0	111.1	M279 R283 F395 Q396 S401 L402 Q403	M279-E399 HydrophobicContact CE-CB 3.73Å; M279-E399 HydrophobicContact CE-CG 4.34Å; R283-E399 IonicContact CZ-OE1 2.64Å; R283-E399 IonicContact CZ-OE2 3.35Å; R283-E399 IonicContact NE-OE1 3.84Å; R283-E399 PolarHBondContact NE-OE1 2.64Å; R283-E399 IonicContact NE-OE2 3.77Å; R283-E399 IonicContact NH2-OE1 3.79Å; R283-E399 PolarHBondContact NH2-OE1 2.91Å; R283-E399 VanDerWaalsContact NH2-OE1 3.13Å; R283-E399 IonicContact NH2-OE2 2.81Å; R283-E399 PolarHBondContact NH2-OE2 2.99Å; F395-E399 HydrophobicContact CE1-CB 4.25Å; F395-E399 HydrophobicContact CE1-CG 4.45Å; F395-E399 WeakPolarHBondContact CE1-OE1 3.36Å; F395-E399 WeakPolarHBondContact O-CB 3.32Å; F395-E399 PolarHBondContact O-N 2.86Å; Q396-E399 PolarHBondContact O-N 3.48Å; E399-S401 PolarHBondContact O-N 2.81Å; E399-L402 PolarHBondContact O-N 3.49Å; E399-Q403 PolarHBondContact O-N 3.19Å
400	L	95.4	Very high	92.2	Very high	99 Å²	99	52.6 Å²	52.6	52%	0.518	29%	0.287	S	S	.	.	H	α-helix	trans	-61.9	-40.6	176.8	-71.8	171.2	0	0	0	112.4	Q396 L402 Q403	Q396-L400 HydrophobicContact CG-CD1 4.12Å; Q396-L400 WeakPolarHBondContact O-CB 3.48Å; Q396-L400 VanDerWaalsContact O-CG 3.28Å; Q396-L400 WeakPolarHBondContact O-CG 3.36Å; Q396-L400 PolarHBondContact O-N 2.93Å; L400-L402 VanDerWaalsContact C-N 3.29Å; L400-L402 PolarHBondContact O-N 3.23Å; L400-Q403 WeakPolarHBondContact O-CB 3.41Å; L400-Q403 PolarHBondContact O-N 2.54Å
401	S	94.3	Very high	93	Very high	35 Å²	35	51.4 Å²	51.4	25%	0.245	29%	0.288	C	S	.	.	H	α-helix	trans	-74.6	-18.5	179.5	66.1	0	0	0	0	113.9	K377 K397 L398 E399	K377-S401 WeakPolarHBondContact CB-OG 3.44Å; K377-S401 WeakPolarHBondContact O-CB 3.38Å; K377-S401 PolarHBondContact O-OG 3.38Å; K397-S401 WeakPolarHBondContact O-CB 3.25Å; K397-S401 PolarHBondContact O-N 3.18Å; K397-S401 VanDerWaalsContact O-N 3.09Å; K397-S401 PolarHBondContact O-OG 3.37Å; L398-S401 WeakPolarHBondContact CA-OG 3.5Å; L398-S401 PolarHBondContact O-N 3.43Å; L398-S401 PolarHBondContact O-OG 2.94Å; L398-S401 VanDerWaalsContact O-OG 3.04Å; E399-S401 PolarHBondContact O-N 2.81Å
402	L	95.7	Very high	93.5	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-86.4	-23.5	170.7	-70.7	174.5	0	0	0	112.6	M279 L324 K377 L398 E399 L400 G404 T405 Y406	M279-L402 HydrophobicContact CG-CD1 3.61Å; M279-L402 HydrophobicContact SD-CD1 4.01Å; L324-L402 HydrophobicContact CD2-CD1 4.29Å; L324-L402 HydrophobicContact CD2-CD2 4.25Å; K377-L402 HydrophobicContact CD-CD2 3.49Å; K377-L402 VanDerWaalsContact CD-CD2 3.49Å; K377-L402 HydrophobicContact CD-CG 4.24Å; L398-L402 HydrophobicContact CD1-CD1 4.07Å; L398-L402 HydrophobicContact CD1-CG 4.11Å; L398-L402 HydrophobicContact CD2-CD1 4.41Å; L398-L402 HydrophobicContact CG-CD1 3.85Å; L398-L402 HydrophobicContact CG-CG 4.3Å; L398-L402 WeakPolarHBondContact O-CB 3.4Å; L398-L402 VanDerWaalsContact O-CG 3.25Å; L398-L402 WeakPolarHBondContact O-CG 3.44Å; L398-L402 PolarHBondContact O-N 3.04Å; E399-L402 PolarHBondContact O-N 3.49Å; L400-L402 VanDerWaalsContact C-N 3.29Å; L400-L402 PolarHBondContact O-N 3.23Å; L402-G404 PolarHBondContact O-N 3.27Å; L402-T405 WeakPolarHBondContact O-CB 3.43Å; L402-T405 PolarHBondContact O-N 3.36Å; L402-T405 PolarHBondContact O-OG1 3.4Å; L402-Y406 HydrophobicContact CB-CD1 4.34Å; L402-Y406 HydrophobicContact CB-CE1 3.97Å; L402-Y406 VanDerWaalsContact O-CD1 3.25Å; L402-Y406 WeakPolarHBondContact O-CD1 3.32Å; L402-Y406 VanDerWaalsContact O-CE1 3.22Å; L402-Y406 WeakPolarHBondContact O-CE1 3.45Å
403	Q	94.4	Very high	93.8	Very high	135 Å²	135	51.1 Å²	51.1	63%	0.631	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	131.7	-178.2	-168.1	176.4	3.9	0	0	111.6	E399 L400 T405	E399-Q403 PolarHBondContact O-N 3.19Å; L400-Q403 WeakPolarHBondContact O-CB 3.41Å; L400-Q403 PolarHBondContact O-N 2.54Å; Q403-T405 PolarHBondContact O-N 3.09Å; Q403-T405 VanDerWaalsContact O-N 3.12Å
404	G	94.6	Very high	93.8	Very high	55 Å²	55	51.2 Å²	51.2	57%	0.567	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	-2.2	-179.3	0	0	0	0	0	115.2	R268 L402	R268-G404 PolarHBondContact NH1-O 3.1Å; L402-G404 PolarHBondContact O-N 3.27Å
405	T	96.3	Very high	93.8	Very high	46 Å²	46	51.3 Å²	51.3	28%	0.282	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-18.3	-179.3	71	0	0	0	0	113.8	H323 K377 L402 Q403	H323-T405 PolarHBondContact CE1-O 3.37Å; H323-T405 PolarHBondContact CE1-OG1 3.01Å; H323-T405 PolarHBondContact NE2-OG1 3.48Å; K377-T405 PolarHBondContact NZ-OG1 2.64Å; L402-T405 WeakPolarHBondContact O-CB 3.43Å; L402-T405 PolarHBondContact O-N 3.36Å; L402-T405 PolarHBondContact O-OG1 3.4Å; Q403-T405 PolarHBondContact O-N 3.09Å; Q403-T405 VanDerWaalsContact O-N 3.12Å
406	Y	96.8	Very high	93	Very high	36 Å²	36	54.9 Å²	54.9	14%	0.141	31%	0.31	C	S	.	.	S	Bend	trans	-114.5	156.9	176.8	55.4	-93.7	0	0	0	111.9	G272 L402 T408	G272-Y406 VanDerWaalsContact CA-CB 3.45Å; G272-Y406 VanDerWaalsContact O-CB 3.23Å; G272-Y406 WeakPolarHBondContact O-CB 3.42Å; L402-Y406 HydrophobicContact CB-CD1 4.34Å; L402-Y406 HydrophobicContact CB-CE1 3.97Å; L402-Y406 VanDerWaalsContact O-CD1 3.25Å; L402-Y406 WeakPolarHBondContact O-CD1 3.32Å; L402-Y406 VanDerWaalsContact O-CE1 3.22Å; L402-Y406 WeakPolarHBondContact O-CE1 3.45Å; Y406-T408 HydrophobicContact CD2-CG2 4.22Å; Y406-T408 HydrophobicContact CE2-CG2 3.83Å
407	A	95.9	Very high	91.6	Very high	2 Å²	2	54.6 Å²	54.6	2%	0.017	31%	0.309	C	S	.	.			trans	-75	122.2	172.3	0	0	0	0	0	110.6	R268 L269 P273 I410 E413	R268-A407 HydrophobicContact CG-CB 4.39Å; R268-A407 PolarHBondContact O-N 3.46Å; L269-A407 HydrophobicContact CD2-CB 4.29Å; P273-A407 HydrophobicContact CG-CB 4.48Å; A407-I410 HydrophobicContact CB-CD1 4.01Å; A407-E413 VanDerWaalsContact CA-OE1 3.23Å; A407-E413 WeakPolarHBondContact CA-OE1 3.18Å; A407-E413 HydrophobicContact CB-CB 4.3Å; A407-E413 HydrophobicContact CB-CG 4.31Å; A407-E413 VanDerWaalsContact CB-OE1 3.28Å; A407-E413 WeakPolarHBondContact CB-OE1 3.5Å
408	T	92.6	Very high	89.9	Confident	124 Å²	124	52.8 Å²	52.8	76%	0.761	30%	0.302	S	S	*	.	S	Bend	trans	-83.4	-39.6	177.3	48.1	0	0	0	0	111.6	Y406	Y406-T408 HydrophobicContact CD2-CG2 4.22Å; Y406-T408 HydrophobicContact CE2-CG2 3.83Å
409	D	92.5	Very high	87.9	Confident	93 Å²	93	57.2 Å²	57.2	50%	0.497	33%	0.33	S	S	.	.			trans	-111.6	90.9	167.8	-173.3	-11.9	0	0	0	109.5	G411 A412 E413	D409-G411 PolarHBondContact O-N 2.9Å; D409-G411 WeakPolarHBondContact OD1-CA 3.45Å; D409-G411 PolarHBondContact OD1-N 3.19Å; D409-A412 HydrophobicContact CB-CB 4.04Å; D409-A412 PolarHBondContact O-N 3.15Å; D409-A412 PolarHBondContact OD1-N 3.17Å; D409-A412 WeakPolarHBondContact OD2-CB 3.44Å; D409-E413 PolarHBondContact O-N 3.17Å
410	I	90.7	Very high	85.8	Confident	26 Å²	26	60.1 Å²	60.1	13%	0.133	35%	0.351	C	S	.	.	H	α-helix	trans	-65.5	-27.2	178.6	-166.4	59	0	0	0	112.1	H160 L269 P273 A407 C414	H160-I410 HydrophobicContact CB-CB 4.43Å; H160-I410 HydrophobicContact CB-CG1 4.01Å; H160-I410 HydrophobicContact CB-CG2 3.61Å; L269-I410 HydrophobicContact CB-CD1 4.26Å; L269-I410 HydrophobicContact CD2-CD1 4.01Å; L269-I410 WeakPolarHBondContact O-CD1 3.28Å; P273-I410 HydrophobicContact CG-CD1 4.18Å; P273-I410 HydrophobicContact CG-CG1 4.47Å; A407-I410 HydrophobicContact CB-CD1 4.01Å; I410-C414 WeakPolarHBondContact CD1-SG 3.34Å; I410-C414 WeakPolarHBondContact O-CB 3.38Å; I410-C414 PolarHBondContact O-N 3.29Å; I410-C414 PolarHBondContact O-SG 3Å
411	G	87.3	Confident	83.4	Confident	33 Å²	33	60 Å²	60	34%	0.34	35%	0.351	S	S	.	.	H	α-helix	trans	-70.3	-44.7	177.1	0	0	0	0	0	111.4	D409 Y415	D409-G411 PolarHBondContact O-N 2.9Å; D409-G411 WeakPolarHBondContact OD1-CA 3.45Å; D409-G411 PolarHBondContact OD1-N 3.19Å; G411-Y415 WeakPolarHBondContact O-CD2 3.07Å
412	A	90.6	Very high	80.9	Confident	55 Å²	55	63.8 Å²	63.8	46%	0.455	37%	0.369	S	S	.	.	H	α-helix	trans	-65.5	-50.9	172.8	0	0	0	0	0	111.3	D409 C414 Y415 D416	D409-A412 HydrophobicContact CB-CB 4.04Å; D409-A412 PolarHBondContact O-N 3.15Å; D409-A412 PolarHBondContact OD1-N 3.17Å; D409-A412 WeakPolarHBondContact OD2-CB 3.44Å; A412-C414 PolarHBondContact O-N 3.28Å; A412-Y415 PolarHBondContact O-N 3.14Å; A412-D416 PolarHBondContact O-N 2.94Å
413	E	94.4	Very high	78.2	Confident	32 Å²	32	68.4 Å²	68.4	15%	0.15	40%	0.396	C	S	.	.	H	α-helix	trans	-69.1	-33.6	-173.1	-73.7	-160.9	-129.6	0	0	114.1	K170 R268 L269 A407 D409 Y415	K170-E413 WeakPolarHBondContact CD-O 3.31Å; R268-E413 IonicContact CZ-OE1 2.83Å; R268-E413 IonicContact CZ-OE2 3.72Å; R268-E413 IonicContact NE-OE1 3.75Å; R268-E413 PolarHBondContact NE-OE1 2.85Å; R268-E413 IonicContact NE-OE2 3.68Å; R268-E413 PolarHBondContact NE-OE2 3.1Å; R268-E413 IonicContact NH2-OE1 3.85Å; R268-E413 PolarHBondContact NH2-OE1 3Å; R268-E413 IonicContact NH2-OE2 3.75Å; R268-E413 PolarHBondContact NH2-OE2 3.13Å; L269-E413 HydrophobicContact CD2-CB 4.13Å; A407-E413 VanDerWaalsContact CA-OE1 3.23Å; A407-E413 WeakPolarHBondContact CA-OE1 3.18Å; A407-E413 HydrophobicContact CB-CB 4.3Å; A407-E413 HydrophobicContact CB-CG 4.31Å; A407-E413 VanDerWaalsContact CB-OE1 3.28Å; A407-E413 WeakPolarHBondContact CB-OE1 3.5Å; D409-E413 PolarHBondContact O-N 3.17Å; E413-Y415 VanDerWaalsContact C-N 3.29Å; E413-Y415 PolarHBondContact O-N 3.25Å
414	C	92.6	Very high	75.5	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.007	40%	0.404	C	S	.	.	H	α-helix	trans	-68.2	-29.4	179	-82.7	0	0	0	0	113.3	C168 P169 K170 I410 A412	C168-C414 HydrophobicContact CB-CB 3.86Å; C168-C414 WeakPolarHBondContact CB-SG 3.36Å; C168-C414 VanDerWaalsContact SG-CA 3.6Å; C168-C414 WeakPolarHBondContact SG-CB 3.5Å; C168-C414 CovalentContact SG-SG 2.04Å; C168-C414 PolarHBondContact SG-SG 3.16Å; P169-C414 WeakPolarHBondContact CD-O 3.42Å; K170-C414 WeakPolarHBondContact CB-O 3.37Å; K170-C414 PolarHBondContact N-O 3.28Å; I410-C414 WeakPolarHBondContact CD1-SG 3.34Å; I410-C414 WeakPolarHBondContact O-CB 3.38Å; I410-C414 PolarHBondContact O-N 3.29Å; I410-C414 PolarHBondContact O-SG 3Å; A412-C414 PolarHBondContact O-N 3.28Å
415	Y	91.8	Very high	72.7	Confident	58 Å²	58	72.1 Å²	72.1	23%	0.227	40%	0.403	C	S	.	.	H	α-helix	trans	-115.1	9.8	-171.6	-60.2	-90.6	0	0	0	113.2	K167 P169 G411 A412 E413 H417 D418 N421	K167-Y415 HydrophobicContact CD-CE1 4.31Å; K167-Y415 HydrophobicContact CG-CE1 4.47Å; P169-Y415 HydrophobicContact CG-CD1 3.84Å; P169-Y415 HydrophobicContact CG-CE1 3.85Å; G411-Y415 WeakPolarHBondContact O-CD2 3.07Å; A412-Y415 PolarHBondContact O-N 3.14Å; E413-Y415 VanDerWaalsContact C-N 3.29Å; E413-Y415 PolarHBondContact O-N 3.25Å; Y415-H417 PolarHBondContact O-N 2.77Å; Y415-D418 WeakPolarHBondContact O-CB 3.31Å; Y415-D418 PolarHBondContact O-N 2.02Å; Y415-N421 WeakPolarHBondContact CB-ND2 3.12Å; Y415-N421 PolarHBondContact O-ND2 2.87Å; Y415-N421 VanDerWaalsContact O-ND2 3.15Å
416	D	79.8	Confident	69.6	Low	78 Å²	78	76.6 Å²	76.6	42%	0.417	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	129	169.9	-171.2	18.2	0	0	0	110.3	A412 D418	A412-D416 PolarHBondContact O-N 2.94Å; D416-D418 VanDerWaalsContact C-N 3.27Å; D416-D418 PolarHBondContact O-N 3.32Å
417	H	65.2	Low	66.6	Low	127 Å²	127	83.2 Å²	83.2	59%	0.588	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	23.6	-171	-55.4	-74.9	0	0	0	116.5	Y415	Y415-H417 PolarHBondContact O-N 2.77Å
418	D	56.3	Low	63.6	Low	25 Å²	25	91.1 Å²	91.1	13%	0.134	50%	0.498	C	S	.	.			trans	-70.8	125.2	169	-158.1	-18.6	0	0	0	109	P169 Y415 D416 V420 N421 N422	P169-D418 WeakPolarHBondContact CG-OD2 3.32Å; Y415-D418 WeakPolarHBondContact O-CB 3.31Å; Y415-D418 PolarHBondContact O-N 2.02Å; D416-D418 VanDerWaalsContact C-N 3.27Å; D416-D418 PolarHBondContact O-N 3.32Å; D418-V420 PolarHBondContact O-N 3.03Å; D418-N421 WeakPolarHBondContact O-CA 3.27Å; D418-N421 PolarHBondContact O-N 3.09Å; D418-N422 PolarHBondContact O-N 2.86Å; D418-N422 VanDerWaalsContact O-N 3.08Å
419	P	52.2	Low	60.6	Low	93 Å²	93	93.6 Å²	93.6	60%	0.604	50%	0.499	S	S	*	.	H	α-helix	trans	-51.7	-27.9	176.8	14.6	-29.2	0	0	0	113.2	N421 N422 V423	P419-N421 VanDerWaalsContact C-N 3.31Å; P419-N421 PolarHBondContact O-N 2.99Å; P419-N422 CarbonylContact O-C 3.55Å; P419-N422 PolarHBondContact O-N 3.37Å; P419-V423 WeakPolarHBondContact O-CG2 3.42Å; P419-V423 PolarHBondContact O-N 3.04Å
420	V	53.3	Low	57.8	Low	108 Å²	108	94.6 Å²	94.6	66%	0.655	51%	0.51	S	S	*	.	H	α-helix	trans	-64.4	-32.5	174.5	-175.6	0	0	0	0	112.6	D418	D418-V420 PolarHBondContact O-N 3.03Å
421	N	45	Very low	55.2	Low	96 Å²	96	99.5 Å²	99.5	51%	0.513	55%	0.547	S	S	.	.	H	α-helix	trans	-85	-23.8	173	-79.3	-17	0	0	0	112.8	Y415 D418 P419 K424	Y415-N421 WeakPolarHBondContact CB-ND2 3.12Å; Y415-N421 PolarHBondContact O-ND2 2.87Å; Y415-N421 VanDerWaalsContact O-ND2 3.15Å; D418-N421 WeakPolarHBondContact O-CA 3.27Å; D418-N421 PolarHBondContact O-N 3.09Å; P419-N421 VanDerWaalsContact C-N 3.31Å; P419-N421 PolarHBondContact O-N 2.99Å; N421-K424 PolarHBondContact O-N 2.65Å
422	N	40.4	Very low	52.7	Low	116 Å²	116	101.2 Å²	101.2	62%	0.62	56%	0.564	S	S	*	*	H	α-helix	trans	-81	-16	173	-83.5	-12.1	0	0	0	113.4	D418 P419 K424	D418-N422 PolarHBondContact O-N 2.86Å; D418-N422 VanDerWaalsContact O-N 3.08Å; P419-N422 CarbonylContact O-C 3.55Å; P419-N422 PolarHBondContact O-N 3.37Å; N422-K424 PolarHBondContact O-N 2.79Å
423	V	40.1	Very low	49.8	Very low	97 Å²	97	106.1 Å²	106.1	59%	0.588	58%	0.58	S	S	*	*			trans	-71.6	68.2	149.3	-169.9	0	0	0	0	106.7	P419 T425	P419-V423 WeakPolarHBondContact O-CG2 3.42Å; P419-V423 PolarHBondContact O-N 3.04Å; V423-T425 HydrophobicContact CG1-CG2 4.07Å; V423-T425 PolarHBondContact O-N 2.81Å
424	K	37.9	Very low	47	Very low	181 Å²	181	114.2 Å²	114.2	79%	0.787	62%	0.618	S	S	*	*			trans	-56.6	89.7	143.4	-78	-178.1	178.1	177.5	0	103.7	N421 N422 T426	N421-K424 PolarHBondContact O-N 2.65Å; N422-K424 PolarHBondContact O-N 2.79Å; K424-T426 VanDerWaalsContact C-N 3.27Å; K424-T426 PolarHBondContact O-N 3.14Å
425	T	34.8	Very low	44.4	Very low	88 Å²	88	121 Å²	121	54%	0.54	65%	0.652	S	S	.	*			trans	-45.2	110.9	153.2	40.5	0	0	0	0	104.4	V423 F427	V423-T425 HydrophobicContact CG1-CG2 4.07Å; V423-T425 PolarHBondContact O-N 2.81Å; T425-F427 HydrophobicContact CG2-CD2 4.31Å; T425-F427 HydrophobicContact CG2-CE2 4.25Å; T425-F427 PolarHBondContact O-N 3.18Å
426	T	31	Very low	41.7	Very low	139 Å²	139	123.8 Å²	123.8	85%	0.853	67%	0.67	S	S	*	*			trans	-56	63.6	154	20.3	0	0	0	0	107.5	K424 M428	K424-T426 VanDerWaalsContact C-N 3.27Å; K424-T426 PolarHBondContact O-N 3.14Å; T426-M428 PolarHBondContact O-N 3.33Å
427	F	34.7	Very low	39.6	Very low	175 Å²	175	128.7 Å²	128.7	77%	0.768	69%	0.691	S	S	*	*			trans	-70.1	92.6	148.3	-86.8	-76.1	0	0	0	103.6	T425 K429	T425-F427 HydrophobicContact CG2-CD2 4.31Å; T425-F427 HydrophobicContact CG2-CE2 4.25Å; T425-F427 PolarHBondContact O-N 3.18Å; F427-K429 VanDerWaalsContact C-N 3.26Å; F427-K429 PolarHBondContact O-N 3.4Å
428	M	32	Very low	38.3	Very low	169 Å²	169	127.4 Å²	127.4	83%	0.833	70%	0.696	S	S	*	*			trans	-43.8	105.1	153.1	-73.6	174.5	71.8	0	0	105.6	T426 P430	T426-M428 PolarHBondContact O-N 3.33Å; M428-P430 WeakPolarHBondContact O-CD 3.42Å; M428-P430 VanDerWaalsContact O-N 3.07Å
429	K	30.4	Very low	37.4	Very low	176 Å²	176	134.4 Å²	134.4	77%	0.765	72%	0.722	S	S	*	*			trans	-60.1	112.6	175.1	-160.1	175.8	-169.3	175.1	0	104.8	F427 S431	F427-K429 VanDerWaalsContact C-N 3.26Å; F427-K429 PolarHBondContact O-N 3.4Å; K429-S431 PolarHBondContact O-N 3.05Å
430	P	34.3	Very low	36.8	Very low	113 Å²	113	135.8 Å²	135.8	73%	0.734	73%	0.732	S	S	*	*			trans	-60.5	119.3	172.9	-15.6	30.1	0	0	0	105.9	M428 G432	M428-P430 WeakPolarHBondContact O-CD 3.42Å; M428-P430 VanDerWaalsContact O-N 3.07Å; P430-G432 VanDerWaalsContact C-N 3.31Å; P430-G432 PolarHBondContact O-N 2.97Å
431	S	35.5	Very low	36.4	Very low	130 Å²	130	140 Å²	140	91%	0.909	74%	0.738	S	S	*	*	S	Bend	trans	-58.9	96.3	169	49.7	0	0	0	0	107.8	K429	K429-S431 PolarHBondContact O-N 3.05Å
432	G	33.8	Very low	36.7	Very low	68 Å²	68	139.4 Å²	139.4	70%	0.701	73%	0.732	S	S	*	*	S	Bend	trans	130.7	54.6	173	0	0	0	0	0	115.2	P430	P430-G432 VanDerWaalsContact C-N 3.31Å; P430-G432 PolarHBondContact O-N 2.97Å
433	M	31.3	Very low	37.5	Very low	158 Å²	158	138.7 Å²	138.7	78%	0.778	73%	0.734	S	S	*	*			trans	-157	89.1	143.9	-138.2	149	72	0	0	109.6	I435 L436	M433-I435 PolarHBondContact O-N 3.02Å; M433-L436 HydrophobicContact CE-CD1 4.45Å
434	Q	35.2	Very low	38.8	Very low	203 Å²	203	141.3 Å²	141.3	95%	0.949	74%	0.739	S	S	*	*			trans	-87	18.1	-178.7	-125.6	177.9	2.4	0	0	113
435	I	36.9	Very low	40.4	Very low	142 Å²	142	136.4 Å²	136.4	73%	0.728	72%	0.721	S	S	*	*	S	Bend	trans	-141.7	95.5	-177.6	-54.5	175.6	0	0	0	106.8	M433	M433-I435 PolarHBondContact O-N 3.02Å
436	L	35.5	Very low	42.2	Very low	117 Å²	117	138 Å²	138	61%	0.613	73%	0.726	S	S	*	*			trans	173.6	10.2	153	-94.2	152.7	0	0	0	114.8	M433 S438 Y439	M433-L436 HydrophobicContact CE-CD1 4.45Å; L436-S438 PolarHBondContact O-N 3.26Å; L436-Y439 HydrophobicContact CD2-CD2 4.03Å
437	E	36.2	Very low	44.5	Very low	182 Å²	182	135.9 Å²	135.9	85%	0.85	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	1.3	176.5	-83.1	-178.9	169.9	0	0	115
438	S	37.8	Very low	46.6	Very low	99 Å²	99	133.4 Å²	133.4	69%	0.692	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	6.3	179.3	40	0	0	0	0	115.8	L436	L436-S438 PolarHBondContact O-N 3.26Å
439	Y	37.1	Very low	49.1	Very low	172 Å²	172	129.4 Å²	129.4	68%	0.675	68%	0.683	S	S	*	*			trans	-114.7	29.4	179	-68.6	-80.6	0	0	0	114.9	L436 Y441	L436-Y439 HydrophobicContact CD2-CD2 4.03Å; Y439-Y441 PolarHBondContact O-N 2.98Å
440	C	40.6	Very low	51.6	Low	123 Å²	123	128 Å²	128	83%	0.831	68%	0.677	S	S	*	*			trans	-69.2	-6.3	168.6	-96.4	0	0	0	0	114.1
441	Y	43.9	Very low	54.1	Low	196 Å²	196	129.3 Å²	129.3	77%	0.769	67%	0.672	S	S	*	*	S	Bend	trans	-97.2	97.1	158.5	-70.5	-86.1	0	0	0	107.7	Y439	Y439-Y441 PolarHBondContact O-N 2.98Å
442	H	51.4	Low	56.5	Low	84 Å²	84	128 Å²	128	39%	0.389	65%	0.651	S	S	.	*				152.1	79	126.2	-84.7	-73.6	0	0	0	112.9	Q444 L445 L446	H442-Q444 PolarHBondContact O-N 2.76Å; H442-L445 HydrophobicContact CB-CB 3.16Å; H442-L445 HydrophobicContact CB-CD2 4.44Å; H442-L445 HydrophobicContact CB-CG 4.38Å; H442-L445 VanDerWaalsContact CG-CB 3.45Å; H442-L445 PolarHBondContact O-N 2.83Å; H442-L446 PolarHBondContact O-N 3.03Å; H442-L446 VanDerWaalsContact O-N 3.12Å
443	P	57.4	Low	59.1	Low	101 Å²	101	128.2 Å²	128.2	66%	0.656	64%	0.639	S	S	*	*	H	α-helix	trans	-51.8	-38	151.4	-20	31.2	0	0	0	110.2	L445 L446 T447	P443-L445 PolarHBondContact O-N 2.62Å; P443-L446 PolarHBondContact O-N 3.4Å; P443-T447 WeakPolarHBondContact O-CB 3.5Å; P443-T447 PolarHBondContact O-N 2.71Å; P443-T447 PolarHBondContact O-OG1 3.14Å
444	Q	67.3	Low	61.8	Low	152 Å²	152	124.7 Å²	124.7	71%	0.71	63%	0.626	S	S	*	*	H	α-helix	trans	-65.3	-37.8	-179.8	-64.5	167.5	-9.1	0	0	114.1	H442 F448	H442-Q444 PolarHBondContact O-N 2.76Å; Q444-F448 VanDerWaalsContact O-CB 3.24Å; Q444-F448 WeakPolarHBondContact O-CB 3.44Å; Q444-F448 PolarHBondContact O-N 3.29Å
445	L	70.9	Confident	64.4	Low	78 Å²	78	118.5 Å²	118.5	41%	0.408	60%	0.599	S	S	.	*	H	α-helix	trans	-75.7	-39	178.4	-164.4	83.6	0	0	0	110	H442 P443 F448 I449	H442-L445 HydrophobicContact CB-CB 3.16Å; H442-L445 HydrophobicContact CB-CD2 4.44Å; H442-L445 HydrophobicContact CB-CG 4.38Å; H442-L445 VanDerWaalsContact CG-CB 3.45Å; H442-L445 PolarHBondContact O-N 2.83Å; P443-L445 PolarHBondContact O-N 2.62Å; L445-F448 CarbonylContact O-C 3.53Å; L445-F448 PolarHBondContact O-N 2.74Å; L445-I449 HydrophobicContact CD2-CD1 4.21Å; L445-I449 HydrophobicContact CG-CD1 4Å; L445-I449 HydrophobicContact CG-CG1 4.46Å; L445-I449 WeakPolarHBondContact O-CB 3.5Å; L445-I449 WeakPolarHBondContact O-CD1 3.43Å; L445-I449 WeakPolarHBondContact O-CG1 3.46Å; L445-I449 PolarHBondContact O-N 3.16Å
446	L	74.2	Confident	66.8	Low	121 Å²	121	115.4 Å²	115.4	63%	0.634	59%	0.587	S	S	*	*	H	α-helix	trans	-60.2	-46.7	170.6	-105.5	147.2	0	0	0	110.8	H442 P443 F448 I449 F450	H442-L446 PolarHBondContact O-N 3.03Å; H442-L446 VanDerWaalsContact O-N 3.12Å; P443-L446 PolarHBondContact O-N 3.4Å; L446-F448 VanDerWaalsContact C-N 3.3Å; L446-F448 PolarHBondContact O-N 2.8Å; L446-I449 PolarHBondContact O-N 3.25Å; L446-F450 WeakPolarHBondContact O-CB 3.31Å; L446-F450 PolarHBondContact O-N 3.26Å
447	T	78.2	Confident	69.3	Low	94 Å²	94	113.2 Å²	113.2	58%	0.577	58%	0.58	S	S	*	*	H	α-helix	trans	-60.9	-39.8	173.7	-49.4	0	0	0	0	111.7	P443 F450 F451	P443-T447 WeakPolarHBondContact O-CB 3.5Å; P443-T447 PolarHBondContact O-N 2.71Å; P443-T447 PolarHBondContact O-OG1 3.14Å; T447-F450 PolarHBondContact O-N 3.45Å; T447-F451 VanDerWaalsContact O-CB 3.28Å; T447-F451 WeakPolarHBondContact O-CB 3.28Å; T447-F451 PolarHBondContact O-N 2.71Å
448	F	78.7	Confident	71.7	Confident	124 Å²	124	110.5 Å²	110.5	54%	0.544	56%	0.563	S	S	.	*	H	α-helix	trans	-67.5	-43.6	178.4	-159.2	-99	0	0	0	112.1	Q444 L445 L446 F450 F451 Q452	Q444-F448 VanDerWaalsContact O-CB 3.24Å; Q444-F448 WeakPolarHBondContact O-CB 3.44Å; Q444-F448 PolarHBondContact O-N 3.29Å; L445-F448 CarbonylContact O-C 3.53Å; L445-F448 PolarHBondContact O-N 2.74Å; L446-F448 VanDerWaalsContact C-N 3.3Å; L446-F448 PolarHBondContact O-N 2.8Å; F448-F450 VanDerWaalsContact C-N 3.35Å; F448-F451 PolarHBondContact O-N 3.41Å; F448-Q452 HydrophobicContact CD1-CG 4.13Å; F448-Q452 HydrophobicContact CE1-CG 4.08Å; F448-Q452 WeakPolarHBondContact O-CB 3.43Å; F448-Q452 WeakPolarHBondContact O-CG 3.48Å; F448-Q452 PolarHBondContact O-N 3.49Å
449	I	83.6	Confident	74	Confident	85 Å²	85	109.6 Å²	109.6	44%	0.436	55%	0.55	S	S	.	.	H	α-helix	trans	-62.4	-44.1	174.2	-69.4	163.5	0	0	0	109.6	L445 L446 F451 Q452 T453	L445-I449 HydrophobicContact CD2-CD1 4.21Å; L445-I449 HydrophobicContact CG-CD1 4Å; L445-I449 HydrophobicContact CG-CG1 4.46Å; L445-I449 WeakPolarHBondContact O-CB 3.5Å; L445-I449 WeakPolarHBondContact O-CD1 3.43Å; L445-I449 WeakPolarHBondContact O-CG1 3.46Å; L445-I449 PolarHBondContact O-N 3.16Å; L446-I449 PolarHBondContact O-N 3.25Å; I449-F451 PolarHBondContact O-N 3.44Å; I449-Q452 PolarHBondContact O-N 2.76Å; I449-T453 VanDerWaalsContact O-CB 3.31Å; I449-T453 WeakPolarHBondContact O-CB 3.29Å; I449-T453 PolarHBondContact O-N 2.72Å; I449-T453 PolarHBondContact O-OG1 3.32Å
450	F	83.5	Confident	76.1	Confident	147 Å²	147	105.5 Å²	105.5	65%	0.645	54%	0.539	S	S	*	.	H	α-helix	trans	-62.8	-44.9	177.6	-137.7	-86	0	0	0	111	L446 T447 F448 T453 V454	L446-F450 WeakPolarHBondContact O-CB 3.31Å; L446-F450 PolarHBondContact O-N 3.26Å; T447-F450 PolarHBondContact O-N 3.45Å; F448-F450 VanDerWaalsContact C-N 3.35Å; F450-T453 PolarHBondContact O-N 3.49Å; F450-V454 HydrophobicContact CD1-CG2 4.14Å; F450-V454 HydrophobicContact CE1-CG2 4.45Å; F450-V454 WeakPolarHBondContact O-CB 3.03Å; F450-V454 VanDerWaalsContact O-CG2 3.27Å; F450-V454 WeakPolarHBondContact O-CG2 3.31Å; F450-V454 PolarHBondContact O-N 2.99Å
451	F	86.6	Confident	78	Confident	139 Å²	139	103 Å²	103	61%	0.61	53%	0.527	S	S	*	.	H	α-helix	trans	-64.6	-43.6	178.1	-163.5	-101.5	0	0	0	112	T447 F448 I449 V454 I455	T447-F451 VanDerWaalsContact O-CB 3.28Å; T447-F451 WeakPolarHBondContact O-CB 3.28Å; T447-F451 PolarHBondContact O-N 2.71Å; F448-F451 PolarHBondContact O-N 3.41Å; I449-F451 PolarHBondContact O-N 3.44Å; F451-V454 PolarHBondContact O-N 2.87Å; F451-I455 HydrophobicContact CD1-CD1 3.54Å; F451-I455 HydrophobicContact CD1-CG1 4.41Å; F451-I455 HydrophobicContact CE1-CD1 3.38Å; F451-I455 HydrophobicContact CE1-CG1 4.32Å; F451-I455 HydrophobicContact CZ-CD1 4.22Å; F451-I455 WeakPolarHBondContact O-CG1 2.93Å; F451-I455 PolarHBondContact O-N 3.23Å
452	Q	86.9	Confident	79.8	Confident	102 Å²	102	100.7 Å²	100.7	48%	0.477	52%	0.517	S	S	.	.	H	α-helix	trans	-62.9	-41.8	174	-76.6	-170.2	-30.5	0	0	111.8	F448 I449 I455 V456	F448-Q452 HydrophobicContact CD1-CG 4.13Å; F448-Q452 HydrophobicContact CE1-CG 4.08Å; F448-Q452 WeakPolarHBondContact O-CB 3.43Å; F448-Q452 WeakPolarHBondContact O-CG 3.48Å; F448-Q452 PolarHBondContact O-N 3.49Å; I449-Q452 PolarHBondContact O-N 2.76Å; Q452-I455 PolarHBondContact O-N 2.83Å; Q452-V456 WeakPolarHBondContact O-CB 3.29Å; Q452-V456 VanDerWaalsContact O-CG2 3.26Å; Q452-V456 WeakPolarHBondContact O-CG2 3.45Å; Q452-V456 PolarHBondContact O-N 2.92Å
453	T	87.6	Confident	81.1	Confident	74 Å²	74	101.7 Å²	101.7	45%	0.454	52%	0.52	S	S	.	.	H	α-helix	trans	-64.4	-43.9	178.1	-53.5	0	0	0	0	110.6	I449 F450 I455 V456 C457	I449-T453 VanDerWaalsContact O-CB 3.31Å; I449-T453 WeakPolarHBondContact O-CB 3.29Å; I449-T453 PolarHBondContact O-N 2.72Å; I449-T453 PolarHBondContact O-OG1 3.32Å; F450-T453 PolarHBondContact O-N 3.49Å; T453-I455 PolarHBondContact O-N 3.06Å; T453-V456 PolarHBondContact O-N 3.36Å; T453-C457 WeakPolarHBondContact O-CB 3.22Å; T453-C457 PolarHBondContact O-N 2.8Å; T453-C457 PolarHBondContact O-SG 2.83Å
454	V	89.3	Confident	81.7	Confident	83 Å²	83	101.8 Å²	101.8	50%	0.503	52%	0.515	S	S	.	.	H	α-helix	trans	-61.9	-42.2	175.5	170.9	0	0	0	0	111.4	F450 F451 Y458	F450-V454 HydrophobicContact CD1-CG2 4.14Å; F450-V454 HydrophobicContact CE1-CG2 4.45Å; F450-V454 WeakPolarHBondContact O-CB 3.03Å; F450-V454 VanDerWaalsContact O-CG2 3.27Å; F450-V454 WeakPolarHBondContact O-CG2 3.31Å; F450-V454 PolarHBondContact O-N 2.99Å; F451-V454 PolarHBondContact O-N 2.87Å; V454-Y458 VanDerWaalsContact O-CB 3.23Å; V454-Y458 WeakPolarHBondContact O-CB 3Å; V454-Y458 PolarHBondContact O-N 3.46Å
455	I	88.5	Confident	81.6	Confident	73 Å²	73	98 Å²	98	37%	0.374	50%	0.503	S	S	.	.	H	α-helix	trans	-63.1	-47.4	175.1	-71	168.3	0	0	0	110.8	F451 Q452 T453 Y458 L459	F451-I455 HydrophobicContact CD1-CD1 3.54Å; F451-I455 HydrophobicContact CD1-CG1 4.41Å; F451-I455 HydrophobicContact CE1-CD1 3.38Å; F451-I455 HydrophobicContact CE1-CG1 4.32Å; F451-I455 HydrophobicContact CZ-CD1 4.22Å; F451-I455 WeakPolarHBondContact O-CG1 2.93Å; F451-I455 PolarHBondContact O-N 3.23Å; Q452-I455 PolarHBondContact O-N 2.83Å; T453-I455 PolarHBondContact O-N 3.06Å; I455-Y458 WeakPolarHBondContact O-CB 3.23Å; I455-Y458 PolarHBondContact O-N 3.04Å; I455-L459 HydrophobicContact CG2-CD1 3.88Å; I455-L459 HydrophobicContact CG2-CG 4.21Å; I455-L459 WeakPolarHBondContact O-CB 3.47Å; I455-L459 VanDerWaalsContact O-CG 3.27Å; I455-L459 WeakPolarHBondContact O-CG 3.36Å; I455-L459 PolarHBondContact O-N 3.14Å
456	V	87.3	Confident	81.6	Confident	78 Å²	78	99.3 Å²	99.3	47%	0.473	51%	0.51	S	S	.	.	H	α-helix	trans	-62.5	-45.8	179.6	170.9	0	0	0	0	110.5	Q452 T453 Y458 L459 I460	Q452-V456 WeakPolarHBondContact O-CB 3.29Å; Q452-V456 VanDerWaalsContact O-CG2 3.26Å; Q452-V456 WeakPolarHBondContact O-CG2 3.45Å; Q452-V456 PolarHBondContact O-N 2.92Å; T453-V456 PolarHBondContact O-N 3.36Å; V456-Y458 VanDerWaalsContact C-N 3.32Å; V456-Y458 PolarHBondContact O-N 3.46Å; V456-L459 PolarHBondContact O-N 2.54Å; V456-I460 HydrophobicContact CG1-CD1 3.71Å; V456-I460 HydrophobicContact CG1-CG1 4.37Å; V456-I460 WeakPolarHBondContact O-CB 3.33Å; V456-I460 VanDerWaalsContact O-CG1 3.25Å; V456-I460 WeakPolarHBondContact O-CG1 3.41Å; V456-I460 PolarHBondContact O-N 3.19Å
457	C	88.4	Confident	80.9	Confident	71 Å²	71	96.9 Å²	96.9	48%	0.48	50%	0.501	S	S	.	.	H	α-helix	trans	-60.6	-40.3	174.5	-71.2	0	0	0	0	112	T453 I460 A461	T453-C457 WeakPolarHBondContact O-CB 3.22Å; T453-C457 PolarHBondContact O-N 2.8Å; T453-C457 PolarHBondContact O-SG 2.83Å; C457-I460 PolarHBondContact O-N 2.68Å; C457-A461 VanDerWaalsContact O-CB 3.28Å; C457-A461 WeakPolarHBondContact O-CB 3.37Å; C457-A461 PolarHBondContact O-N 3.43Å
458	Y	87.3	Confident	80.3	Confident	125 Å²	125	97.2 Å²	97.2	49%	0.49	50%	0.498	S	S	.	.	H	α-helix	trans	-64.6	-44	175.5	177.9	-97	0	0	0	112.1	V454 I455 V456 A461 R462	V454-Y458 VanDerWaalsContact O-CB 3.23Å; V454-Y458 WeakPolarHBondContact O-CB 3Å; V454-Y458 PolarHBondContact O-N 3.46Å; I455-Y458 WeakPolarHBondContact O-CB 3.23Å; I455-Y458 PolarHBondContact O-N 3.04Å; V456-Y458 VanDerWaalsContact C-N 3.32Å; V456-Y458 PolarHBondContact O-N 3.46Å; Y458-A461 PolarHBondContact O-N 3.01Å; Y458-R462 WeakPolarHBondContact O-CB 3.29Å; Y458-R462 PolarHBondContact O-N 3.11Å; Y458-R462 WeakPolarHBondContact OH-CD 3.33Å; Y458-R462 PolarHBondContact OH-NH1 3.42Å
459	L	85.1	Confident	79.7	Confident	79 Å²	79	93.9 Å²	93.9	41%	0.414	49%	0.493	S	S	.	.	H	α-helix	trans	-65.1	-42.1	176.8	-68.8	175.6	0	0	0	111.1	I455 V456 R462 F463	I455-L459 HydrophobicContact CG2-CD1 3.88Å; I455-L459 HydrophobicContact CG2-CG 4.21Å; I455-L459 WeakPolarHBondContact O-CB 3.47Å; I455-L459 VanDerWaalsContact O-CG 3.27Å; I455-L459 WeakPolarHBondContact O-CG 3.36Å; I455-L459 PolarHBondContact O-N 3.14Å; V456-L459 PolarHBondContact O-N 2.54Å; L459-R462 PolarHBondContact O-N 3.43Å; L459-F463 HydrophobicContact CB-CD2 4.3Å; L459-F463 HydrophobicContact CD2-CD2 3.85Å; L459-F463 HydrophobicContact CD2-CE2 3.53Å; L459-F463 VanDerWaalsContact O-CB 3.28Å; L459-F463 WeakPolarHBondContact O-CB 3.14Å; L459-F463 VanDerWaalsContact O-CD2 3.29Å; L459-F463 WeakPolarHBondContact O-CD2 3.08Å; L459-F463 PolarHBondContact O-N 2.8Å
460	I	81.7	Confident	79.1	Confident	86 Å²	86	97.5 Å²	97.5	44%	0.441	50%	0.502	S	S	.	.	H	α-helix	trans	-61.4	-53	173.6	-68.9	168.5	0	0	0	109.4	V456 C457 R462 F463 L464	V456-I460 HydrophobicContact CG1-CD1 3.71Å; V456-I460 HydrophobicContact CG1-CG1 4.37Å; V456-I460 WeakPolarHBondContact O-CB 3.33Å; V456-I460 VanDerWaalsContact O-CG1 3.25Å; V456-I460 WeakPolarHBondContact O-CG1 3.41Å; V456-I460 PolarHBondContact O-N 3.19Å; C457-I460 PolarHBondContact O-N 2.68Å; I460-R462 VanDerWaalsContact C-N 3.27Å; I460-R462 PolarHBondContact O-N 3.36Å; I460-F463 PolarHBondContact O-N 3.47Å; I460-L464 HydrophobicContact CG2-CB 4.12Å; I460-L464 HydrophobicContact CG2-CD1 4.24Å; I460-L464 HydrophobicContact CG2-CD2 4.17Å; I460-L464 HydrophobicContact CG2-CG 4.42Å; I460-L464 WeakPolarHBondContact O-CA 3.24Å; I460-L464 WeakPolarHBondContact O-CB 3.47Å; I460-L464 PolarHBondContact O-N 3.4Å
461	A	80.8	Confident	78.4	Confident	71 Å²	71	94.7 Å²	94.7	59%	0.587	49%	0.493	S	S	*	.	H	α-helix	trans	-59.9	-36.9	-179.7	0	0	0	0	0	112.9	C457 Y458 P465	C457-A461 VanDerWaalsContact O-CB 3.28Å; C457-A461 WeakPolarHBondContact O-CB 3.37Å; C457-A461 PolarHBondContact O-N 3.43Å; Y458-A461 PolarHBondContact O-N 3.01Å; A461-P465 VanDerWaalsContact O-CD 3.31Å; A461-P465 WeakPolarHBondContact O-CD 3.09Å; A461-P465 WeakPolarHBondContact O-CG 3.5Å
462	R	80	Confident	77.6	Confident	148 Å²	148	92.1 Å²	92.1	56%	0.558	49%	0.485	S	S	*	.	H	α-helix	trans	-81.3	-35.7	-177.6	-171.1	168.1	-177.5	176.3	-2.1	113.5	Y458 L459 I460	Y458-R462 WeakPolarHBondContact O-CB 3.29Å; Y458-R462 PolarHBondContact O-N 3.11Å; Y458-R462 WeakPolarHBondContact OH-CD 3.33Å; Y458-R462 PolarHBondContact OH-NH1 3.42Å; L459-R462 PolarHBondContact O-N 3.43Å; I460-R462 VanDerWaalsContact C-N 3.27Å; I460-R462 PolarHBondContact O-N 3.36Å
463	F	80.2	Confident	76.7	Confident	104 Å²	104	91.5 Å²	91.5	46%	0.456	49%	0.485	S	S	.	.	H	α-helix	trans	-110.2	-23.5	-171.7	-63.7	-77.2	0	0	0	114.3	L459 I460 P465 I466 P467	L459-F463 HydrophobicContact CB-CD2 4.3Å; L459-F463 HydrophobicContact CD2-CD2 3.85Å; L459-F463 HydrophobicContact CD2-CE2 3.53Å; L459-F463 VanDerWaalsContact O-CB 3.28Å; L459-F463 WeakPolarHBondContact O-CB 3.14Å; L459-F463 VanDerWaalsContact O-CD2 3.29Å; L459-F463 WeakPolarHBondContact O-CD2 3.08Å; L459-F463 PolarHBondContact O-N 2.8Å; I460-F463 PolarHBondContact O-N 3.47Å; F463-P465 VanDerWaalsContact C-N 3.31Å; F463-I466 HydrophobicContact CD1-CD1 3.78Å; F463-I466 HydrophobicContact CE1-CD1 4.49Å; F463-I466 WeakPolarHBondContact O-CB 3.49Å; F463-I466 PolarHBondContact O-N 3.05Å; F463-P467 WeakPolarHBondContact O-CD 3.4Å
464	L	69.1	Low	75.8	Confident	103 Å²	103	91.8 Å²	91.8	54%	0.539	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-30	174.5	-157.6	89.7	0	0	0	114.1	I460 I466 P467 M468	I460-L464 HydrophobicContact CG2-CB 4.12Å; I460-L464 HydrophobicContact CG2-CD1 4.24Å; I460-L464 HydrophobicContact CG2-CD2 4.17Å; I460-L464 HydrophobicContact CG2-CG 4.42Å; I460-L464 WeakPolarHBondContact O-CA 3.24Å; I460-L464 WeakPolarHBondContact O-CB 3.47Å; I460-L464 PolarHBondContact O-N 3.4Å; L464-I466 PolarHBondContact O-N 3.43Å; L464-P467 WeakPolarHBondContact O-CD 3.14Å; L464-M468 PolarHBondContact O-N 2.87Å
465	P	65.7	Low	74.7	Confident	73 Å²	73	94.6 Å²	94.6	47%	0.474	49%	0.489	S	S	.	.	H	α-helix	trans	-62.9	-23.2	171.8	-22.4	33.4	0	0	0	113.3	A461 F463 A469	A461-P465 VanDerWaalsContact O-CD 3.31Å; A461-P465 WeakPolarHBondContact O-CD 3.09Å; A461-P465 WeakPolarHBondContact O-CG 3.5Å; F463-P465 VanDerWaalsContact C-N 3.31Å; P465-A469 WeakPolarHBondContact O-CB 3.18Å; P465-A469 PolarHBondContact O-N 3.2Å
466	I	70.2	Confident	73.5	Confident	105 Å²	105	99.5 Å²	99.5	54%	0.538	50%	0.503	S	S	.	.	H	α-helix	trans	-73.8	-51.1	-175.9	-54.2	176.6	0	0	0	111	F463 L464 M468 A469 Y470	F463-I466 HydrophobicContact CD1-CD1 3.78Å; F463-I466 HydrophobicContact CE1-CD1 4.49Å; F463-I466 WeakPolarHBondContact O-CB 3.49Å; F463-I466 PolarHBondContact O-N 3.05Å; L464-I466 PolarHBondContact O-N 3.43Å; I466-M468 VanDerWaalsContact C-N 3.34Å; I466-M468 PolarHBondContact O-N 2.86Å; I466-A469 PolarHBondContact O-N 3.13Å; I466-Y470 WeakPolarHBondContact O-CB 3.36Å; I466-Y470 PolarHBondContact O-N 3.43Å
467	P	60.8	Low	72.2	Confident	71 Å²	71	104.4 Å²	104.4	46%	0.461	52%	0.515	S	S	.	.	H	α-helix	trans	-62.2	-38.1	170.5	-22.9	32.1	0	0	0	113	F463 L464 Y470 L471	F463-P467 WeakPolarHBondContact O-CD 3.4Å; L464-P467 WeakPolarHBondContact O-CD 3.14Å; P467-Y470 PolarHBondContact O-N 2.9Å; P467-L471 WeakPolarHBondContact O-CB 3.49Å; P467-L471 WeakPolarHBondContact O-CG 3.27Å; P467-L471 PolarHBondContact O-N 3.3Å
468	M	63.9	Low	70.9	Confident	101 Å²	101	104.7 Å²	104.7	50%	0.498	52%	0.517	S	S	.	.	H	α-helix	trans	-66.3	-42.3	179.1	-81.3	-66.9	-75.3	0	0	111.9	L464 I466 Y470 L471 I472	L464-M468 PolarHBondContact O-N 2.87Å; I466-M468 VanDerWaalsContact C-N 3.34Å; I466-M468 PolarHBondContact O-N 2.86Å; M468-Y470 PolarHBondContact O-N 2.84Å; M468-Y470 VanDerWaalsContact C-N 3.31Å; M468-L471 PolarHBondContact O-N 2.97Å; M468-I472 HydrophobicContact CE-CD1 4.49Å; M468-I472 WeakPolarHBondContact O-CB 3.48Å; M468-I472 WeakPolarHBondContact O-CD1 3.09Å; M468-I472 WeakPolarHBondContact O-CG1 3.44Å; M468-I472 PolarHBondContact O-N 2.97Å
469	A	67	Low	69.4	Low	53 Å²	53	105.8 Å²	105.8	44%	0.438	53%	0.527	S	S	.	.	H	α-helix	trans	-63.7	-38.2	173	0	0	0	0	0	111.8	P465 I466 N473	P465-A469 WeakPolarHBondContact O-CB 3.18Å; P465-A469 PolarHBondContact O-N 3.2Å; I466-A469 PolarHBondContact O-N 3.13Å; A469-N473 VanDerWaalsContact O-CB 3.31Å; A469-N473 WeakPolarHBondContact O-CB 3.31Å; A469-N473 PolarHBondContact O-N 2.97Å
470	Y	71.1	Confident	67.9	Low	162 Å²	162	109.9 Å²	109.9	64%	0.635	54%	0.543	S	S	*	.	H	α-helix	trans	-67.4	-41.3	176.4	-163.9	-99.2	0	0	0	112.5	I466 P467 M468 N473 N474	I466-Y470 WeakPolarHBondContact O-CB 3.36Å; I466-Y470 PolarHBondContact O-N 3.43Å; P467-Y470 PolarHBondContact O-N 2.9Å; M468-Y470 PolarHBondContact O-N 2.84Å; M468-Y470 VanDerWaalsContact C-N 3.31Å; Y470-N473 PolarHBondContact O-N 3.34Å; Y470-N474 WeakPolarHBondContact CD1-ND2 3.4Å; Y470-N474 PolarHBondContact O-ND2 3.02Å; Y470-N474 PolarHBondContact O-N 3.22Å; Y470-N474 WeakPolarHBondContact CE1-ND2 3.33Å; Y470-N474 VanDerWaalsContact CD1-ND2 3.34Å; Y470-N474 WeakPolarHBondContact O-CB 3.44Å
471	L	68.3	Low	66.2	Low	88 Å²	88	111.8 Å²	111.8	46%	0.461	56%	0.559	S	S	.	*	H	α-helix	trans	-67.3	-45.2	175.5	-79.9	164.2	0	0	0	111.8	P467 M468 N473 N474 F475	P467-L471 WeakPolarHBondContact O-CB 3.49Å; P467-L471 WeakPolarHBondContact O-CG 3.27Å; P467-L471 PolarHBondContact O-N 3.3Å; M468-L471 PolarHBondContact O-N 2.97Å; L471-N473 VanDerWaalsContact C-N 3.3Å; L471-N473 PolarHBondContact O-N 3.05Å; L471-N474 PolarHBondContact O-N 3.32Å; L471-F475 WeakPolarHBondContact O-CB 3.27Å; L471-F475 WeakPolarHBondContact O-CD2 3.43Å; L471-F475 PolarHBondContact O-N 2.75Å
472	I	69.4	Low	64.4	Low	85 Å²	85	120.3 Å²	120.3	44%	0.436	59%	0.586	S	S	.	*	H	α-helix	trans	-62.2	-40.3	176.4	-68.5	165.5	0	0	0	110.5	M468 F475 R476	M468-I472 HydrophobicContact CE-CD1 4.49Å; M468-I472 WeakPolarHBondContact O-CB 3.48Å; M468-I472 WeakPolarHBondContact O-CD1 3.09Å; M468-I472 WeakPolarHBondContact O-CG1 3.44Å; M468-I472 PolarHBondContact O-N 2.97Å; I472-F475 PolarHBondContact O-N 2.89Å; I472-R476 WeakPolarHBondContact O-CG 3.29Å; I472-R476 PolarHBondContact O-N 3.44Å
473	N	68.4	Low	63.6	Low	88 Å²	88	118.9 Å²	118.9	47%	0.471	59%	0.588	S	S	.	*	H	α-helix	trans	-65.3	-44.4	174.5	-84.4	-16.2	0	0	0	111.9	A469 Y470 L471 F475 R476 Y477	A469-N473 VanDerWaalsContact O-CB 3.31Å; A469-N473 WeakPolarHBondContact O-CB 3.31Å; A469-N473 PolarHBondContact O-N 2.97Å; Y470-N473 PolarHBondContact O-N 3.34Å; L471-N473 VanDerWaalsContact C-N 3.3Å; L471-N473 PolarHBondContact O-N 3.05Å; N473-F475 PolarHBondContact O-N 3.06Å; N473-R476 PolarHBondContact O-N 3.44Å; N473-Y477 VanDerWaalsContact O-CD2 3.3Å; N473-Y477 WeakPolarHBondContact O-CD2 3.17Å; N473-Y477 PolarHBondContact O-N 2.91Å
474	N	70.1	Confident	62.7	Low	80 Å²	80	119.7 Å²	119.7	43%	0.428	59%	0.594	S	S	.	*	H	α-helix	trans	-63.5	-38.3	176.2	-83	-37	0	0	0	113	Y470 L471 Y477 S478	Y470-N474 WeakPolarHBondContact CD1-ND2 3.4Å; Y470-N474 PolarHBondContact O-ND2 3.02Å; Y470-N474 PolarHBondContact O-N 3.22Å; Y470-N474 WeakPolarHBondContact CE1-ND2 3.33Å; Y470-N474 VanDerWaalsContact CD1-ND2 3.34Å; Y470-N474 WeakPolarHBondContact O-CB 3.44Å; L471-N474 PolarHBondContact O-N 3.32Å; N474-Y477 PolarHBondContact O-N 2.9Å; N474-S478 PolarHBondContact O-N 3.03Å
475	F	64.3	Low	62.4	Low	142 Å²	142	120.6 Å²	120.6	62%	0.623	60%	0.597	S	S	*	*	H	α-helix	trans	-66.7	-35.9	174.2	-95.4	-79	0	0	0	112.7	L471 I472 N473 H479	L471-F475 WeakPolarHBondContact O-CB 3.27Å; L471-F475 WeakPolarHBondContact O-CD2 3.43Å; L471-F475 PolarHBondContact O-N 2.75Å; I472-F475 PolarHBondContact O-N 2.89Å; N473-F475 PolarHBondContact O-N 3.06Å; F475-H479 PolarHBondContact O-N 3.04Å
476	R	63.6	Low	62.2	Low	177 Å²	177	123.4 Å²	123.4	67%	0.668	61%	0.605	S	S	*	*	H	α-helix	trans	-67.1	-36.9	172.7	-79.3	-176.9	176.2	-173.7	-1.1	112.3	I472 N473	I472-R476 WeakPolarHBondContact O-CG 3.29Å; I472-R476 PolarHBondContact O-N 3.44Å; N473-R476 PolarHBondContact O-N 3.44Å
477	Y	59.9	Low	61.7	Low	181 Å²	181	124.6 Å²	124.6	71%	0.71	61%	0.609	S	S	*	*	H	α-helix	trans	-71.9	-32.8	176.9	-88.5	-78.2	0	0	0	112.9	N473 N474 H479 H480	N473-Y477 VanDerWaalsContact O-CD2 3.3Å; N473-Y477 WeakPolarHBondContact O-CD2 3.17Å; N473-Y477 PolarHBondContact O-N 2.91Å; N474-Y477 PolarHBondContact O-N 2.9Å; Y477-H479 VanDerWaalsContact C-N 3.29Å; Y477-H479 PolarHBondContact O-N 2.88Å; Y477-H480 PolarHBondContact O-N 3.19Å
478	S	61.1	Low	61.8	Low	77 Å²	77	128.1 Å²	128.1	54%	0.538	62%	0.619	S	S	.	*	H	α-helix	trans	-71.9	-22.6	176.9	91.9	0	0	0	0	113.5	N474 H480	N474-S478 PolarHBondContact O-N 3.03Å; S478-H480 VanDerWaalsContact C-N 3.34Å
479	H	55.8	Low	61.6	Low	148 Å²	148	130.1 Å²	130.1	69%	0.685	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-7.5	177.8	-105.3	-62.3	0	0	0	114.6	F475 Y477	F475-H479 PolarHBondContact O-N 3.04Å; Y477-H479 VanDerWaalsContact C-N 3.29Å; Y477-H479 PolarHBondContact O-N 2.88Å
480	H	54.7	Low	61.2	Low	165 Å²	165	136 Å²	136	76%	0.764	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	14.2	175	-82.4	-60.6	0	0	0	113.6	Y477 S478	Y477-H480 PolarHBondContact O-N 3.19Å; S478-H480 VanDerWaalsContact C-N 3.34Å
481	V	46.4	Very low	60.4	Low	126 Å²	126	133.8 Å²	133.8	76%	0.764	64%	0.643	S	S	*	*			trans	-120.6	64.6	168.1	-167.5	0	0	0	0	109.1
482	Q	42.5	Very low	59.6	Low	249 Å²	249	138 Å²	138	100%	1.164	66%	0.659	S	S	*	*			trans	-133.7	0	151.3	-83.3	-174.1	-19.9	0	0	105.7

Retrieved 482 of 482 residues in 879.9 ms (Link to these results)

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