A0A077ZJA8_TRITR Loading...

Monocarboxylate transporter 3

AlphaFold DB , UniProt , Accession A0A077ZJA8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 634 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	29.2	Very low	29.9	Very low	222 Å²	222	130 Å²	130	100%	1.094	65%	0.651	S	S	*	*				0	-42.9	0	-89.6	-168.5	-77.5	0	0	112.6	K3 G4 K5	M1-K3 PolarHBondContact O-N 3.47Å; M1-G4 PolarHBondContact O-N 3.29Å; M1-K5 PolarHBondContact O-N 3.34Å
2	E	34.4	Very low	29.8	Very low	176 Å²	176	124.4 Å²	124.4	82%	0.822	63%	0.633	S	S	*	*	H	α-helix	trans	-58.6	-43.2	175.8	-81.2	176.8	146.8	0	0	114	G4 K5 L6	E2-G4 PolarHBondContact O-N 3.07Å; E2-G4 VanDerWaalsContact O-N 3.13Å; E2-K5 PolarHBondContact O-N 2.93Å; E2-K5 VanDerWaalsContact O-N 3.09Å; E2-L6 PolarHBondContact O-N 2.94Å
3	K	28.7	Very low	29.6	Very low	191 Å²	191	120.5 Å²	120.5	83%	0.83	61%	0.609	S	S	*	*	H	α-helix	trans	-56.9	-30.2	175.9	-70	-169.9	175	-172.4	0	114.2	M1 A7	M1-K3 PolarHBondContact O-N 3.47Å; K3-A7 PolarHBondContact O-N 3.18Å
4	G	25.1	Very low	29.4	Very low	46 Å²	46	121.2 Å²	121.2	47%	0.474	61%	0.614	S	S	.	*	H	α-helix	trans	-84.1	-21.2	179.8	0	0	0	0	0	114.3	M1 E2	M1-G4 PolarHBondContact O-N 3.29Å; E2-G4 PolarHBondContact O-N 3.07Å; E2-G4 VanDerWaalsContact O-N 3.13Å
5	K	30.9	Very low	29	Very low	165 Å²	165	119.6 Å²	119.6	72%	0.717	62%	0.618	S	S	*	*	H	α-helix	trans	-74.7	-41.2	170.9	-105.4	-174.8	175	-176.2	0	110.8	M1 E2 A7 K8 E9	M1-K5 PolarHBondContact O-N 3.34Å; E2-K5 PolarHBondContact O-N 2.93Å; E2-K5 VanDerWaalsContact O-N 3.09Å; K5-A7 PolarHBondContact O-N 3.03Å; K5-K8 PolarHBondContact O-N 3.25Å; K5-E9 PolarHBondContact O-N 3.31Å
6	L	31.2	Very low	28.8	Very low	116 Å²	116	119.4 Å²	119.4	61%	0.607	62%	0.618	S	S	*	*	H	α-helix	trans	-59.5	-46.2	178.6	-162.1	71.9	0	0	0	111.3	E2 K8 E9 T10	E2-L6 PolarHBondContact O-N 2.94Å; L6-K8 VanDerWaalsContact C-N 3.3Å; L6-K8 PolarHBondContact O-N 3.31Å; L6-E9 PolarHBondContact O-N 3.13Å; L6-E9 VanDerWaalsContact O-N 3.11Å; L6-T10 PolarHBondContact O-N 2.68Å; L6-T10 VanDerWaalsContact O-N 3.09Å; L6-T10 PolarHBondContact O-OG1 2.91Å
7	A	29.8	Very low	28.7	Very low	53 Å²	53	120.9 Å²	120.9	44%	0.438	62%	0.621	S	S	.	*	H	α-helix	trans	-58.6	-35.6	177.8	0	0	0	0	0	114.1	K3 K5 T10 E11	K3-A7 PolarHBondContact O-N 3.18Å; K5-A7 PolarHBondContact O-N 3.03Å; A7-T10 VanDerWaalsContact CA-OG1 3.26Å; A7-T10 WeakPolarHBondContact CA-OG1 3.38Å; A7-T10 WeakPolarHBondContact O-CB 3.38Å; A7-T10 PolarHBondContact O-N 2.85Å; A7-T10 PolarHBondContact O-OG1 3.45Å; A7-E11 PolarHBondContact O-N 3.42Å; A7-E11 VanDerWaalsContact O-N 3.09Å
8	K	28.9	Very low	28.6	Very low	159 Å²	159	121.5 Å²	121.5	69%	0.691	63%	0.631	S	S	*	*	H	α-helix	trans	-73	-32.4	177.1	-79	-171.6	173.7	-172.3	0	112.8	K5 L6 T10 S12	K5-K8 PolarHBondContact O-N 3.25Å; L6-K8 VanDerWaalsContact C-N 3.3Å; L6-K8 PolarHBondContact O-N 3.31Å; K8-T10 VanDerWaalsContact C-N 3.3Å; K8-S12 PolarHBondContact O-N 3.15Å
9	E	32.1	Very low	28.4	Very low	108 Å²	108	118.9 Å²	118.9	51%	0.505	62%	0.623	S	S	.	*	H	α-helix	trans	-67.1	-36.7	172	-71.3	-179.7	166.7	0	0	110.4	K5 L6 S12 F13	K5-E9 PolarHBondContact O-N 3.31Å; L6-E9 PolarHBondContact O-N 3.13Å; L6-E9 VanDerWaalsContact O-N 3.11Å; E9-S12 PolarHBondContact O-N 3.19Å; E9-S12 PolarHBondContact O-OG 3.28Å; E9-F13 PolarHBondContact O-N 3.42Å
10	T	30.7	Very low	28.3	Very low	50 Å²	50	118 Å²	118	31%	0.307	62%	0.622	S	S	.	*	H	α-helix	trans	-63	-46.2	175.4	-15.6	0	0	0	0	112.8	L6 A7 K8 S12 F13 I14	L6-T10 PolarHBondContact O-N 2.68Å; L6-T10 VanDerWaalsContact O-N 3.09Å; L6-T10 PolarHBondContact O-OG1 2.91Å; A7-T10 VanDerWaalsContact CA-OG1 3.26Å; A7-T10 WeakPolarHBondContact CA-OG1 3.38Å; A7-T10 WeakPolarHBondContact O-CB 3.38Å; A7-T10 PolarHBondContact O-N 2.85Å; A7-T10 PolarHBondContact O-OG1 3.45Å; K8-T10 VanDerWaalsContact C-N 3.3Å; T10-S12 VanDerWaalsContact C-N 3.33Å; T10-S12 PolarHBondContact O-N 3.26Å; T10-F13 WeakPolarHBondContact O-CB 3.48Å; T10-F13 PolarHBondContact O-N 3.17Å; T10-I14 WeakPolarHBondContact O-CG1 3.3Å; T10-I14 PolarHBondContact O-N 2.95Å
11	E	27.7	Very low	28.4	Very low	144 Å²	144	120.4 Å²	120.4	67%	0.673	63%	0.63	S	S	*	*	H	α-helix	trans	-63.3	-37.1	177.1	-79.6	-176.7	166	0	0	112.6	A7 F13 I14	A7-E11 PolarHBondContact O-N 3.42Å; A7-E11 VanDerWaalsContact O-N 3.09Å; E11-F13 VanDerWaalsContact C-N 3.28Å; E11-F13 PolarHBondContact O-N 3.35Å; E11-I14 PolarHBondContact O-N 2.79Å
12	S	28.5	Very low	28.4	Very low	63 Å²	63	118.5 Å²	118.5	44%	0.441	62%	0.618	S	S	.	*	H	α-helix	trans	-65.1	-34	177.1	85.7	0	0	0	0	112.2	K8 E9 T10 S15	K8-S12 PolarHBondContact O-N 3.15Å; E9-S12 PolarHBondContact O-N 3.19Å; E9-S12 PolarHBondContact O-OG 3.28Å; T10-S12 VanDerWaalsContact C-N 3.33Å; T10-S12 PolarHBondContact O-N 3.26Å; S12-S15 PolarHBondContact O-N 2.99Å; S12-S15 PolarHBondContact O-OG 3.48Å
13	F	27.5	Very low	28.3	Very low	73 Å²	73	117.2 Å²	117.2	32%	0.32	61%	0.612	S	S	.	*	H	α-helix	trans	-68.4	-41.1	178.5	-110.5	-85	0	0	0	112.7	E9 T10 E11 S15 L16 N357 I360	E9-F13 PolarHBondContact O-N 3.42Å; T10-F13 WeakPolarHBondContact O-CB 3.48Å; T10-F13 PolarHBondContact O-N 3.17Å; E11-F13 VanDerWaalsContact C-N 3.28Å; E11-F13 PolarHBondContact O-N 3.35Å; F13-S15 PolarHBondContact O-N 3.4Å; F13-L16 PolarHBondContact O-N 3.02Å; F13-L16 VanDerWaalsContact O-N 3.13Å; F13-N357 WeakPolarHBondContact CE2-ND2 3.4Å; F13-N357 WeakPolarHBondContact CZ-ND2 3.49Å; F13-I360 HydrophobicContact CE1-CD1 4.17Å; F13-I360 HydrophobicContact CZ-CD1 3.82Å; F13-I360 HydrophobicContact CZ-CG1 4.05Å
14	I	27	Very low	28.5	Very low	131 Å²	131	114.1 Å²	114.1	67%	0.672	60%	0.601	S	S	*	*	H	α-helix	trans	-60.1	-33.2	179.6	-65.6	166.6	0	0	0	111.1	T10 E11 L16	T10-I14 WeakPolarHBondContact O-CG1 3.3Å; T10-I14 PolarHBondContact O-N 2.95Å; E11-I14 PolarHBondContact O-N 2.79Å; I14-L16 VanDerWaalsContact C-N 3.31Å; I14-L16 PolarHBondContact O-N 3.3Å
15	S	23.8	Very low	28.8	Very low	97 Å²	97	116.8 Å²	116.8	68%	0.678	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-16.2	-179.9	73.3	0	0	0	0	115.2	S12 F13	S12-S15 PolarHBondContact O-N 2.99Å; S12-S15 PolarHBondContact O-OG 3.48Å; F13-S15 PolarHBondContact O-N 3.4Å
16	L	25.8	Very low	28.5	Very low	117 Å²	117	115.9 Å²	115.9	61%	0.613	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	3.9	-167.7	-101.4	154.8	0	0	0	115	F13 I14	F13-L16 PolarHBondContact O-N 3.02Å; F13-L16 VanDerWaalsContact O-N 3.13Å; I14-L16 VanDerWaalsContact C-N 3.31Å; I14-L16 PolarHBondContact O-N 3.3Å
17	Q	26.6	Very low	28.4	Very low	145 Å²	145	117.2 Å²	117.2	68%	0.678	62%	0.623	S	S	*	*	S	Bend	trans	-125.2	17.3	-166.5	-113	164.3	-26.7	0	0	117.4	P19	Q17-P19 WeakPolarHBondContact O-CD 3.41Å
18	V	26.3	Very low	28.2	Very low	131 Å²	131	122.3 Å²	122.3	79%	0.794	64%	0.643	S	S	*	*			trans	-115	97.4	165.7	-170.6	0	0	0	0	109.3	T20	V18-T20 PolarHBondContact O-N 2.94Å
19	P	25.2	Very low	28	Very low	73 Å²	73	121.7 Å²	121.7	47%	0.474	64%	0.641	S	S	.	*			trans	-61.4	129.9	170.1	-15.7	28.3	0	0	0	109.5	Q17	Q17-P19 WeakPolarHBondContact O-CD 3.41Å
20	T	26.6	Very low	27.6	Very low	100 Å²	100	121.5 Å²	121.5	61%	0.613	65%	0.649	S	S	*	*			trans	-62.4	146.8	173.5	40.5	0	0	0	0	110.8	V18 E22 Q23	V18-T20 PolarHBondContact O-N 2.94Å; T20-E22 PolarHBondContact O-N 2.98Å; T20-Q23 PolarHBondContact O-N 3.39Å
21	E	30.9	Very low	27.3	Very low	169 Å²	169	124.6 Å²	124.6	79%	0.79	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-49.6	-28.3	-173.1	-71.8	179.6	149.1	0	0	114.4	Q23 Q24	E21-Q23 VanDerWaalsContact C-N 3.31Å; E21-Q23 PolarHBondContact O-N 2.8Å; E21-Q24 WeakPolarHBondContact O-CB 3.43Å; E21-Q24 PolarHBondContact O-N 3.31Å
22	E	29.1	Very low	27.1	Very low	181 Å²	181	122.9 Å²	122.9	85%	0.846	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-65.9	-26.4	177.1	-83.9	-175.3	148.3	0	0	114.4	T20 Q24	T20-E22 PolarHBondContact O-N 2.98Å; E22-Q24 PolarHBondContact O-N 3.4Å
23	Q	31.4	Very low	26.7	Very low	149 Å²	149	126.2 Å²	126.2	70%	0.696	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-79	-7.5	176.5	-70	-171.4	-21.3	0	0	113.1	T20 E21	T20-Q23 PolarHBondContact O-N 3.39Å; E21-Q23 VanDerWaalsContact C-N 3.31Å; E21-Q23 PolarHBondContact O-N 2.8Å
24	Q	33.9	Very low	26.5	Very low	127 Å²	127	130.7 Å²	130.7	59%	0.593	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-87.1	-17.6	-170.8	-63.3	179.2	-5.5	0	0	114.5	E21 E22	E21-Q24 WeakPolarHBondContact O-CB 3.43Å; E21-Q24 PolarHBondContact O-N 3.31Å; E22-Q24 PolarHBondContact O-N 3.4Å
25	S	30.2	Very low	26.4	Very low	102 Å²	102	130 Å²	130	71%	0.713	70%	0.697	S	S	*	*	S	Bend	trans	-86.8	-13	-168.6	81.7	0	0	0	0	116.4
26	N	26.1	Very low	26.3	Very low	146 Å²	146	133.3 Å²	133.3	78%	0.781	70%	0.7	S	S	*	*	S	Bend	trans	-111	10.5	-161	-116.3	6	0	0	0	117.7
27	N	27.7	Very low	26.1	Very low	144 Å²	144	138.2 Å²	138.2	77%	0.77	71%	0.711	S	S	*	*			trans	-118.1	109.9	179.2	-83.9	-23.2	0	0	0	113.4	F29	N27-F29 PolarHBondContact O-N 3.24Å
28	N	25.4	Very low	25.9	Very low	160 Å²	160	140.1 Å²	140.1	86%	0.856	72%	0.719	S	S	*	*			trans	-68.4	60	176.3	-79.5	-26.3	0	0	0	113.9
29	F	26.3	Very low	25.9	Very low	146 Å²	146	137.2 Å²	137.2	64%	0.64	70%	0.702	S	S	*	*			trans	-121.5	87.7	167.8	-79.9	-80.4	0	0	0	110.9	N27 C31 L32	N27-F29 PolarHBondContact O-N 3.24Å; F29-C31 PolarHBondContact O-N 3.5Å; F29-C31 VanDerWaalsContact O-N 3.14Å; F29-L32 HydrophobicContact CB-CD1 4.17Å; F29-L32 PolarHBondContact O-N 2.88Å
30	P	23.8	Very low	25.8	Very low	104 Å²	104	142.2 Å²	142.2	68%	0.675	72%	0.724	S	S	*	*	H	α-helix	trans	-64.4	-18.6	-178.8	23.3	-30.3	0	0	0	113.5	L32 H33	P30-L32 VanDerWaalsContact C-N 3.32Å; P30-L32 PolarHBondContact O-N 2.94Å; P30-H33 PolarHBondContact O-N 3.41Å
31	C	23.3	Very low	25.7	Very low	114 Å²	114	139.7 Å²	139.7	77%	0.77	72%	0.719	S	S	*	*	H	α-helix	trans	-75.2	-14.7	178.4	-60.6	0	0	0	0	114.8	F29	F29-C31 PolarHBondContact O-N 3.5Å; F29-C31 VanDerWaalsContact O-N 3.14Å
32	L	23.3	Very low	25.5	Very low	109 Å²	109	135.8 Å²	135.8	57%	0.571	71%	0.71	S	S	*	*	H	α-helix	trans	-86.2	-23.9	174	-92.5	151.5	0	0	0	112.2	F29 P30 F36	F29-L32 HydrophobicContact CB-CD1 4.17Å; F29-L32 PolarHBondContact O-N 2.88Å; P30-L32 VanDerWaalsContact C-N 3.32Å; P30-L32 PolarHBondContact O-N 2.94Å; L32-F36 HydrophobicContact CD2-CE2 4.44Å; L32-F36 WeakPolarHBondContact O-CD2 3.46Å
33	H	21.5	Very low	25.5	Very low	133 Å²	133	132.7 Å²	132.7	62%	0.616	69%	0.694	S	S	*	*	H	α-helix	trans	-79.9	-29.1	-166.6	-136.4	-69	0	0	0	114	P30	P30-H33 PolarHBondContact O-N 3.41Å
34	E	22.2	Very low	25.4	Very low	166 Å²	166	126.8 Å²	126.8	78%	0.776	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-25.3	-178.2	-147.1	74.9	-148.5	0	0	112.5
35	V	24.5	Very low	25.2	Very low	116 Å²	116	126.2 Å²	126.2	70%	0.703	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-23.4	-174.4	-176.8	0	0	0	0	112.3
36	F	22.6	Very low	25.5	Very low	167 Å²	167	122.2 Å²	122.2	73%	0.732	64%	0.64	S	S	*	*	S	Bend	trans	-81.7	-20.3	-178.5	-85.3	-78.7	0	0	0	114.5	L32	L32-F36 HydrophobicContact CD2-CE2 4.44Å; L32-F36 WeakPolarHBondContact O-CD2 3.46Å
37	R	20.6	Very low	26	Very low	221 Å²	221	119.7 Å²	119.7	83%	0.834	62%	0.624	S	S	*	*	S	Bend	trans	-90.9	-1.6	-161.5	-133.5	-178.9	-170.5	172.7	3.9	116.4
38	Q	23	Very low	26.8	Very low	184 Å²	184	114.6 Å²	114.6	86%	0.86	60%	0.598	S	S	*	*			trans	-123.2	12.1	-167.2	-121.3	-178.7	10.5	0	0	117.6
39	V	26.5	Very low	27.6	Very low	71 Å²	71	110.7 Å²	110.7	43%	0.43	58%	0.58	S	S	.	*			trans	-108.6	85.6	-174	-170	0	0	0	0	111.5
40	N	23.2	Very low	28.6	Very low	177 Å²	177	106.6 Å²	106.6	95%	0.947	57%	0.565	S	S	*	*			trans	-88.2	102.9	160.5	-95.6	-15.9	0	0	0	108.2
41	G	25.2	Very low	29.8	Very low	48 Å²	48	102.5 Å²	102.5	50%	0.495	54%	0.537	S	S	.	.	S	Bend	trans	131	110.4	167.1	0	0	0	0	0	114
42	S	25.4	Very low	31.5	Very low	86 Å²	86	97.8 Å²	97.8	60%	0.601	50%	0.504	S	S	*	.			trans	59.3	85.4	160.8	-50.8	0	0	0	0	115.6	C44	S42-C44 PolarHBondContact O-N 2.95Å
43	F	28.8	Very low	33.6	Very low	116 Å²	116	93.6 Å²	93.6	51%	0.509	48%	0.484	S	S	.	.			trans	-65.5	113.2	164	-96.7	-91.5	0	0	0	110.2	L45	F43-L45 PolarHBondContact O-N 3.18Å
44	C	29.9	Very low	36.2	Very low	26 Å²	26	91.3 Å²	91.3	18%	0.176	48%	0.48	C	S	.	.			trans	-83	87.8	162.5	-161.9	0	0	0	0	107.4	S42 V46	S42-C44 PolarHBondContact O-N 2.95Å; C44-V46 VanDerWaalsContact C-N 3.28Å; C44-V46 PolarHBondContact O-N 3.01Å
45	L	31.1	Very low	39.1	Very low	115 Å²	115	84 Å²	84	60%	0.602	45%	0.449	S	S	*	.			trans	-72.1	92.8	165	-81.7	166.6	0	0	0	106.8	F43 E47	F43-L45 PolarHBondContact O-N 3.18Å; L45-E47 PolarHBondContact O-N 3Å
46	V	35.8	Very low	42	Very low	17 Å²	17	81.7 Å²	81.7	10%	0.103	44%	0.436	C	S	.	.			trans	-62	103.7	166.5	-177.9	0	0	0	0	106.5	C44 V48 L200	C44-V46 VanDerWaalsContact C-N 3.28Å; C44-V46 PolarHBondContact O-N 3.01Å; V46-V48 VanDerWaalsContact C-N 3.34Å; V46-V48 VanDerWaalsContact O-CG2 3.32Å; V46-V48 WeakPolarHBondContact O-CG2 3.45Å; V46-V48 PolarHBondContact O-N 2.82Å; V46-L200 HydrophobicContact CG1-CD2 4.47Å; V46-L200 HydrophobicContact CG2-CD2 4Å
47	E	37.1	Very low	45.1	Very low	94 Å²	94	74.9 Å²	74.9	44%	0.439	41%	0.407	S	S	.	.			trans	-68.9	97.2	168.9	-76.6	-170.2	166.3	0	0	107.9	L45 V49	L45-E47 PolarHBondContact O-N 3Å; E47-V49 PolarHBondContact O-N 3.14Å
48	V	43	Very low	48.5	Very low	36 Å²	36	65 Å²	65	22%	0.218	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-60.7	-0.4	-178.9	174.4	0	0	0	0	114.1	V46 D50 A298	V46-V48 VanDerWaalsContact C-N 3.34Å; V46-V48 VanDerWaalsContact O-CG2 3.32Å; V46-V48 WeakPolarHBondContact O-CG2 3.45Å; V46-V48 PolarHBondContact O-N 2.82Å; V48-D50 PolarHBondContact O-N 3.16Å; V48-A298 HydrophobicContact CB-CB 3.66Å; V48-A298 HydrophobicContact CG1-CB 3.12Å; V48-A298 HydrophobicContact CG2-CB 3.22Å
49	V	41.8	Very low	51.8	Low	79 Å²	79	59.3 Å²	59.3	48%	0.479	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-70.3	-19.5	-170.7	-172.6	0	0	0	0	112.4	E47	E47-V49 PolarHBondContact O-N 3.14Å
50	D	48.1	Very low	55	Low	60 Å²	60	61.2 Å²	61.2	32%	0.321	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-90	-2.8	-171.3	-70.4	-16.6	0	0	0	116	V48 I52 P195 S197 S199	V48-D50 PolarHBondContact O-N 3.16Å; D50-I52 VanDerWaalsContact C-N 3.33Å; D50-P195 WeakPolarHBondContact O-CB 3.28Å; D50-P195 WeakPolarHBondContact O-CG 3.16Å; D50-S197 WeakPolarHBondContact CB-O 2.91Å; D50-S199 PolarHBondContact OD2-OG 3.02Å
51	L	49.9	Very low	58.4	Low	18 Å²	18	52.8 Å²	52.8	9%	0.094	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-76.3	-21.2	178.6	-107.1	101.8	0	0	0	113.7	I198 Y297 P327 F330 N331	L51-I198 HydrophobicContact CD1-CD1 4.25Å; L51-I198 HydrophobicContact CD1-CG1 4.09Å; L51-Y297 HydrophobicContact CD2-CD1 4.42Å; L51-Y297 HydrophobicContact CD2-CE1 4.29Å; L51-P327 HydrophobicContact CD2-CB 3.55Å; L51-P327 HydrophobicContact CG-CB 4.43Å; L51-F330 HydrophobicContact CD2-CD2 3.71Å; L51-F330 HydrophobicContact CD2-CE2 4.25Å; L51-N331 PolarHBondContact O-ND2 3.23Å; L51-N331 PolarHBondContact O-OD1 3.39Å
52	I	58.2	Low	61.8	Low	14 Å²	14	55.2 Å²	55.2	7%	0.072	31%	0.314	C	S	.	.	S	Bend	trans	-131	126.2	-164.8	-59	150.1	0	0	0	109.9	D50 P54 A294 R362 I366	D50-I52 VanDerWaalsContact C-N 3.33Å; I52-P54 WeakPolarHBondContact O-CD 3.33Å; I52-A294 HydrophobicContact CD1-CB 3.67Å; I52-R362 HydrophobicContact CG2-CG 4.25Å; I52-I366 HydrophobicContact CB-CD1 4.36Å; I52-I366 HydrophobicContact CD1-CB 4.4Å; I52-I366 HydrophobicContact CD1-CD1 3.74Å; I52-I366 HydrophobicContact CD1-CG2 4.38Å; I52-I366 HydrophobicContact CG1-CD1 4Å; I52-I366 HydrophobicContact CG2-CD1 3.46Å; I52-I366 VanDerWaalsContact CG2-CD1 3.46Å
53	S	67	Low	65.2	Low	22 Å²	22	53.3 Å²	53.3	15%	0.154	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-61.3	118.8	175.4	-41.1	0	0	0	0	110.1	P193 P195	S53-P193 PolarHBondContact OG-O 2.97Å; S53-P195 WeakPolarHBondContact OG-CD 3.42Å
54	P	75.5	Confident	68.3	Low	84 Å²	84	47.8 Å²	47.8	55%	0.545	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-63.5	141.8	173.5	26.2	-32.9	0	0	0	109.8	I52	I52-P54 WeakPolarHBondContact O-CD 3.33Å
55	A	83.1	Confident	71.5	Confident	13 Å²	13	46.8 Å²	46.8	11%	0.107	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-61.1	127.7	173.7	0	0	0	0	0	109.5	D57 E134	A55-D57 PolarHBondContact O-N 3.16Å; A55-E134 HydrophobicContact CB-CB 4.09Å; A55-E134 HydrophobicContact CB-CG 3.73Å
56	P	85.8	Confident	74.6	Confident	68 Å²	68	46 Å²	46	44%	0.442	26%	0.263	S	S	.	.			trans	-67.8	-19	-176.7	24.7	-34.6	0	0	0	114	G58 Y132 L192	P56-G58 PolarHBondContact O-N 3.06Å; P56-Y132 WeakPolarHBondContact CD-O 3.4Å; P56-Y132 HydrophobicContact CG-CD1 3.58Å; P56-Y132 HydrophobicContact CG-CE1 4.22Å; P56-Y132 HydrophobicContact CG-CG 4.37Å; P56-L192 HydrophobicContact CG-CD2 4.28Å
57	D	88.5	Confident	77.5	Confident	24 Å²	24	45.3 Å²	45.3	13%	0.128	26%	0.258	C	S	.	.	S	Bend	trans	52	29.4	179.4	-88.3	-55.6	0	0	0	114	A55 Y132 F133 E134 R135 K136	A55-D57 PolarHBondContact O-N 3.16Å; D57-Y132 PolarHBondContact N-O 3.16Å; D57-F133 WeakPolarHBondContact OD1-CA 3.41Å; D57-E134 PolarHBondContact OD1-N 3.18Å; D57-R135 PolarHBondContact OD1-N 3.15Å; D57-R135 WeakPolarHBondContact OD2-CB 3.45Å; D57-R135 WeakPolarHBondContact OD2-CG 3.31Å; D57-R135 PolarHBondContact OD2-N 3.09Å; D57-K136 PolarHBondContact OD1-N 2.97Å; D57-K136 VanDerWaalsContact OD1-N 3.08Å
58	G	92.1	Very high	80.3	Confident	13 Å²	13	40.8 Å²	40.8	13%	0.134	24%	0.238	C	C	.	.	S	Bend	trans	170	-160.6	-177.6	0	0	0	0	0	114.2	P56 W60 G61	P56-G58 PolarHBondContact O-N 3.06Å; G58-W60 PolarHBondContact O-N 3.16Å; G58-G61 PolarHBondContact O-N 3.46Å
59	G	91.6	Very high	82.8	Confident	64 Å²	64	41.3 Å²	41.3	66%	0.66	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	-127	177.8	0	0	0	0	0	113	G61 W62	G59-G61 PolarHBondContact O-N 2.87Å; G59-G61 VanDerWaalsContact O-N 3.12Å; G59-W62 PolarHBondContact O-N 2.77Å; G59-W62 VanDerWaalsContact O-N 3.09Å
60	W	94.1	Very high	85.4	Confident	112 Å²	112	40.7 Å²	40.7	42%	0.424	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-20.3	177.8	-159.3	-93.6	0	0	0	113.3	G58 W62 V63 V64 Y132 L188	G58-W60 PolarHBondContact O-N 3.16Å; W60-W62 PolarHBondContact O-N 3.16Å; W60-V63 HydrophobicContact CD2-CB 4.33Å; W60-V63 HydrophobicContact CD2-CG2 4.23Å; W60-V63 HydrophobicContact CE3-CG2 4.25Å; W60-V63 HydrophobicContact CG-CB 4.48Å; W60-V63 HydrophobicContact CZ2-CG1 4.26Å; W60-V63 WeakPolarHBondContact O-CA 3.33Å; W60-V63 WeakPolarHBondContact O-CB 3.4Å; W60-V63 PolarHBondContact O-N 3.14Å; W60-V64 PolarHBondContact O-N 3.19Å; W60-V64 VanDerWaalsContact O-N 3.09Å; W60-Y132 HydrophobicContact CB-CE1 4.27Å; W60-L188 HydrophobicContact CZ2-CD2 4.27Å; W60-L188 PolarHBondContact NE1-O 3.09Å
61	G	94.2	Very high	87.6	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-55.8	-33.9	172.8	0	0	0	0	0	112.9	G58 G59 V63 V64 V65 F133	G58-G61 PolarHBondContact O-N 3.46Å; G59-G61 PolarHBondContact O-N 2.87Å; G59-G61 VanDerWaalsContact O-N 3.12Å; G61-V63 VanDerWaalsContact C-N 3.33Å; G61-V63 PolarHBondContact O-N 3.41Å; G61-V64 WeakPolarHBondContact O-CB 3.4Å; G61-V64 PolarHBondContact O-N 2.83Å; G61-V65 WeakPolarHBondContact O-CG2 3.26Å; G61-V65 PolarHBondContact O-N 2.83Å; G61-F133 VanDerWaalsContact C-CE2 3.46Å; G61-F133 WeakPolarHBondContact O-CE2 3.44Å
62	W	96.2	Very high	89.7	Confident	99 Å²	99	37 Å²	37	38%	0.375	21%	0.211	S	C	.	.	H	α-helix	trans	-70.9	-28.4	176.1	-67.7	113.6	0	0	0	113.3	G59 W60 V65 L66 F133 K136 I143	G59-W62 PolarHBondContact O-N 2.77Å; G59-W62 VanDerWaalsContact O-N 3.09Å; W60-W62 PolarHBondContact O-N 3.16Å; W62-V65 HydrophobicContact CE3-CB 4.32Å; W62-V65 HydrophobicContact CE3-CG1 4.35Å; W62-V65 HydrophobicContact CE3-CG2 4.37Å; W62-V65 PolarHBondContact O-N 3Å; W62-L66 PolarHBondContact O-N 3.13Å; W62-F133 HydrophobicContact CD2-CE1 4.35Å; W62-F133 AromaticContact CD2-CZ 3.82Å; W62-F133 HydrophobicContact CD2-CZ 3.82Å; W62-F133 AromaticContact CE2-CE1 3.91Å; W62-F133 AromaticContact CE2-CZ 3.87Å; W62-F133 HydrophobicContact CE3-CZ 4.11Å; W62-F133 HydrophobicContact CG-CZ 4.2Å; W62-F133 HydrophobicContact CH2-CE1 4.37Å; W62-F133 HydrophobicContact CH2-CZ 4.49Å; W62-F133 AromaticContact CZ2-CE1 3.94Å; W62-F133 HydrophobicContact CZ2-CE1 3.94Å; W62-F133 HydrophobicContact CZ2-CZ 4.22Å; W62-F133 HydrophobicContact CZ3-CZ 4.43Å; W62-K136 HydrophobicContact CZ2-CD 4.31Å; W62-I143 HydrophobicContact CH2-CD1 4.38Å; W62-I143 HydrophobicContact CZ3-CD1 3.86Å
63	V	96.6	Very high	91.4	Very high	46 Å²	46	37.1 Å²	37.1	28%	0.279	21%	0.212	S	C	.	.	H	α-helix	trans	-67.3	-43.2	170.8	-177.8	0	0	0	0	109.5	W60 G61 V65 L66 S67 L188	W60-V63 HydrophobicContact CD2-CB 4.33Å; W60-V63 HydrophobicContact CD2-CG2 4.23Å; W60-V63 HydrophobicContact CE3-CG2 4.25Å; W60-V63 HydrophobicContact CG-CB 4.48Å; W60-V63 HydrophobicContact CZ2-CG1 4.26Å; W60-V63 WeakPolarHBondContact O-CA 3.33Å; W60-V63 WeakPolarHBondContact O-CB 3.4Å; W60-V63 PolarHBondContact O-N 3.14Å; G61-V63 VanDerWaalsContact C-N 3.33Å; G61-V63 PolarHBondContact O-N 3.41Å; V63-V65 VanDerWaalsContact C-N 3.33Å; V63-V65 PolarHBondContact O-N 3.39Å; V63-L66 WeakPolarHBondContact O-CB 3.35Å; V63-L66 PolarHBondContact O-N 3.24Å; V63-L66 VanDerWaalsContact O-N 3.17Å; V63-S67 PolarHBondContact O-N 2.84Å; V63-S67 PolarHBondContact O-OG 2.85Å; V63-L188 HydrophobicContact CG1-CB 4.3Å; V63-L188 HydrophobicContact CG1-CD1 4.28Å
64	V	95.4	Very high	92.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60	-42	174.4	174.1	0	0	0	0	111.5	W60 G61 S67 C68 F128 V129 Y132 M189	W60-V64 PolarHBondContact O-N 3.19Å; W60-V64 VanDerWaalsContact O-N 3.09Å; G61-V64 WeakPolarHBondContact O-CB 3.4Å; G61-V64 PolarHBondContact O-N 2.83Å; V64-S67 PolarHBondContact O-N 3.26Å; V64-C68 WeakPolarHBondContact O-CA 3.48Å; V64-C68 PolarHBondContact O-N 3.01Å; V64-F128 HydrophobicContact CG1-CB 3.78Å; V64-V129 HydrophobicContact CG1-CG2 4.48Å; V64-Y132 HydrophobicContact CB-CD2 4.42Å; V64-Y132 HydrophobicContact CG1-CD2 4.31Å; V64-Y132 HydrophobicContact CG2-CD2 4Å; V64-Y132 HydrophobicContact CG2-CE1 4.48Å; V64-Y132 HydrophobicContact CG2-CE2 3.78Å; V64-Y132 HydrophobicContact CG2-CG 4.43Å; V64-M189 HydrophobicContact CG1-CG 4.26Å
65	V	96	Very high	93.5	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.024	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-41.5	174.7	168.6	0	0	0	0	111.5	G61 W62 V63 C68 F69 V129 F133 A140 I143 A144	G61-V65 WeakPolarHBondContact O-CG2 3.26Å; G61-V65 PolarHBondContact O-N 2.83Å; W62-V65 HydrophobicContact CE3-CB 4.32Å; W62-V65 HydrophobicContact CE3-CG1 4.35Å; W62-V65 HydrophobicContact CE3-CG2 4.37Å; W62-V65 PolarHBondContact O-N 3Å; V63-V65 VanDerWaalsContact C-N 3.33Å; V63-V65 PolarHBondContact O-N 3.39Å; V65-C68 CarbonylContact O-C 3.59Å; V65-C68 VanDerWaalsContact O-CA 3.27Å; V65-C68 WeakPolarHBondContact O-CA 3.31Å; V65-C68 PolarHBondContact O-N 3.42Å; V65-F69 WeakPolarHBondContact O-CB 3.5Å; V65-F69 PolarHBondContact O-N 3.25Å; V65-V129 HydrophobicContact CG2-CG1 4Å; V65-V129 HydrophobicContact CG2-CG2 4.23Å; V65-F133 HydrophobicContact CG2-CD2 4.17Å; V65-F133 HydrophobicContact CG2-CE2 3.51Å; V65-F133 HydrophobicContact CG2-CZ 4.23Å; V65-A140 HydrophobicContact CG2-CB 3.85Å; V65-I143 HydrophobicContact CG1-CB 4Å; V65-I143 HydrophobicContact CG1-CG2 3.61Å; V65-A144 HydrophobicContact CG1-CB 4.29Å
66	L	96.8	Very high	93.8	Very high	99 Å²	99	32.4 Å²	32.4	52%	0.518	18%	0.179	S	C	.	.	H	α-helix	trans	-65.5	-43	176.4	179.9	63.1	0	0	0	112	W62 V63 C68 F69 L70	W62-L66 PolarHBondContact O-N 3.13Å; V63-L66 WeakPolarHBondContact O-CB 3.35Å; V63-L66 PolarHBondContact O-N 3.24Å; V63-L66 VanDerWaalsContact O-N 3.17Å; L66-C68 VanDerWaalsContact C-N 3.31Å; L66-F69 WeakPolarHBondContact O-CB 3.35Å; L66-F69 PolarHBondContact O-N 2.78Å; L66-L70 HydrophobicContact CD1-CD1 4.36Å; L66-L70 HydrophobicContact CD1-CG 4.38Å; L66-L70 HydrophobicContact CG-CD1 4.26Å; L66-L70 WeakPolarHBondContact O-CG 3.16Å; L66-L70 PolarHBondContact O-N 2.88Å
67	S	96.7	Very high	94.2	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.014	16%	0.158	C	C	.	.	H	α-helix	trans	-61.3	-43.6	172.3	-59.3	0	0	0	0	111.2	V63 V64 F69 L70 I71 L185 L188	V63-S67 PolarHBondContact O-N 2.84Å; V63-S67 PolarHBondContact O-OG 2.85Å; V64-S67 PolarHBondContact O-N 3.26Å; S67-F69 PolarHBondContact O-N 3.03Å; S67-L70 PolarHBondContact O-N 3.47Å; S67-I71 WeakPolarHBondContact O-CB 3.38Å; S67-I71 VanDerWaalsContact O-CG1 3.31Å; S67-I71 WeakPolarHBondContact O-CG1 3.44Å; S67-I71 PolarHBondContact O-N 3.26Å; S67-L185 PolarHBondContact OG-O 2.96Å; S67-L188 WeakPolarHBondContact OG-CD1 3.19Å
68	C	95.6	Very high	94.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-32.9	-66.9	161.7	170.8	0	0	0	0	113.5	V64 V65 L66 S72 A125 M189	V64-C68 WeakPolarHBondContact O-CA 3.48Å; V64-C68 PolarHBondContact O-N 3.01Å; V65-C68 CarbonylContact O-C 3.59Å; V65-C68 VanDerWaalsContact O-CA 3.27Å; V65-C68 WeakPolarHBondContact O-CA 3.31Å; V65-C68 PolarHBondContact O-N 3.42Å; L66-C68 VanDerWaalsContact C-N 3.31Å; C68-S72 PolarHBondContact O-N 3.23Å; C68-S72 VanDerWaalsContact O-N 3.09Å; C68-S72 PolarHBondContact O-OG 3.06Å; C68-A125 HydrophobicContact CB-CB 3.44Å; C68-A125 VanDerWaalsContact CB-CB 3.44Å; C68-A125 VanDerWaalsContact SG-C 3.54Å; C68-M189 HydrophobicContact CB-CE 3.42Å; C68-M189 VanDerWaalsContact CB-CE 3.42Å
69	F	95.5	Very high	94.4	Very high	46 Å²	46	27.9 Å²	27.9	20%	0.202	15%	0.149	C	C	.	.	H	α-helix	trans	-60	-51.2	-177.3	177	-87.1	0	0	0	111.8	V65 L66 S67 I71 S72 V73 I143 A144 A146 G147 V150	V65-F69 WeakPolarHBondContact O-CB 3.5Å; V65-F69 PolarHBondContact O-N 3.25Å; L66-F69 WeakPolarHBondContact O-CB 3.35Å; L66-F69 PolarHBondContact O-N 2.78Å; S67-F69 PolarHBondContact O-N 3.03Å; F69-I71 PolarHBondContact O-N 3.01Å; F69-S72 CarbonylContact O-C 3.6Å; F69-S72 WeakPolarHBondContact O-CB 3.49Å; F69-S72 PolarHBondContact O-N 2.93Å; F69-S72 VanDerWaalsContact O-N 3.13Å; F69-V73 HydrophobicContact CD1-CG2 3.97Å; F69-V73 HydrophobicContact CE1-CG2 3.67Å; F69-V73 HydrophobicContact CZ-CG2 4.13Å; F69-V73 WeakPolarHBondContact O-CG2 3.5Å; F69-V73 PolarHBondContact O-N 2.98Å; F69-I143 VanDerWaalsContact CD2-O 3.32Å; F69-I143 WeakPolarHBondContact CD2-O 3.48Å; F69-A144 WeakPolarHBondContact CA-O 3.47Å; F69-A146 HydrophobicContact CD2-CB 4.48Å; F69-A146 HydrophobicContact CE2-CB 4.19Å; F69-G147 VanDerWaalsContact CE2-N 3.27Å; F69-G147 WeakPolarHBondContact O-CA 3.45Å; F69-V150 HydrophobicContact CE2-CG2 4.15Å; F69-V150 HydrophobicContact CZ-CB 3.92Å; F69-V150 HydrophobicContact CZ-CG1 4.17Å; F69-V150 HydrophobicContact CZ-CG2 3.76Å
70	L	96.3	Very high	94.4	Very high	66 Å²	66	25.2 Å²	25.2	35%	0.346	12%	0.119	S	C	.	.	H	α-helix	trans	-66.6	-38.8	-176.5	-68.6	174	0	0	0	112.7	L66 S67 S72 V73 I74 L185	L66-L70 HydrophobicContact CD1-CD1 4.36Å; L66-L70 HydrophobicContact CD1-CG 4.38Å; L66-L70 HydrophobicContact CG-CD1 4.26Å; L66-L70 WeakPolarHBondContact O-CG 3.16Å; L66-L70 PolarHBondContact O-N 2.88Å; S67-L70 PolarHBondContact O-N 3.47Å; L70-S72 VanDerWaalsContact C-N 3.29Å; L70-S72 PolarHBondContact O-N 3.17Å; L70-V73 WeakPolarHBondContact O-CB 3.17Å; L70-V73 PolarHBondContact O-N 3.39Å; L70-I74 WeakPolarHBondContact O-CG1 3.41Å; L70-I74 PolarHBondContact O-N 2.9Å; L70-I74 VanDerWaalsContact O-N 3.09Å; L70-L185 HydrophobicContact CB-CD1 3.56Å; L70-L185 HydrophobicContact CB-CD2 4.21Å; L70-L185 HydrophobicContact CD1-CD2 3.81Å
71	I	95.2	Very high	94.3	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-58.8	-45	171.6	-74.9	169	0	0	0	110	S67 F69 I74 I75 T121 A125 C182 L185 M189	S67-I71 WeakPolarHBondContact O-CB 3.38Å; S67-I71 VanDerWaalsContact O-CG1 3.31Å; S67-I71 WeakPolarHBondContact O-CG1 3.44Å; S67-I71 PolarHBondContact O-N 3.26Å; F69-I71 PolarHBondContact O-N 3.01Å; I71-I74 PolarHBondContact O-N 3.3Å; I71-I75 HydrophobicContact CG2-CD1 3.56Å; I71-I75 HydrophobicContact CG2-CG1 4.4Å; I71-I75 WeakPolarHBondContact O-CG1 3.39Å; I71-I75 PolarHBondContact O-N 2.96Å; I71-T121 HydrophobicContact CD1-CG2 4.05Å; I71-T121 HydrophobicContact CG1-CG2 4.16Å; I71-T121 HydrophobicContact CG2-CG2 3.61Å; I71-A125 HydrophobicContact CD1-CB 4.1Å; I71-A125 HydrophobicContact CG2-CB 4.32Å; I71-C182 HydrophobicContact CG1-CB 4.45Å; I71-L185 HydrophobicContact CD1-CB 3.89Å; I71-L185 HydrophobicContact CG1-CB 3.83Å; I71-L185 HydrophobicContact CG1-CD1 3.81Å; I71-L185 HydrophobicContact CG1-CG 4.49Å; I71-M189 HydrophobicContact CD1-CE 3.77Å
72	S	92.4	Very high	94.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-66	-38	179.2	-53.9	0	0	0	0	112.2	C68 F69 L70 I74 D76	C68-S72 PolarHBondContact O-N 3.23Å; C68-S72 VanDerWaalsContact O-N 3.09Å; C68-S72 PolarHBondContact O-OG 3.06Å; F69-S72 CarbonylContact O-C 3.6Å; F69-S72 WeakPolarHBondContact O-CB 3.49Å; F69-S72 PolarHBondContact O-N 2.93Å; F69-S72 VanDerWaalsContact O-N 3.13Å; L70-S72 VanDerWaalsContact C-N 3.29Å; L70-S72 PolarHBondContact O-N 3.17Å; S72-I74 VanDerWaalsContact C-N 3.32Å; S72-I74 PolarHBondContact O-N 3.47Å; S72-D76 WeakPolarHBondContact O-CB 3.39Å; S72-D76 PolarHBondContact O-N 2.94Å
73	V	94.7	Very high	94	Very high	16 Å²	16	15.7 Å²	15.7	10%	0.097	8%	0.083	C	C	.	.	H	α-helix	trans	-57.1	-46.2	173	168.7	0	0	0	0	110.8	F69 L70 G77 G147 V150 G151 M155	F69-V73 HydrophobicContact CD1-CG2 3.97Å; F69-V73 HydrophobicContact CE1-CG2 3.67Å; F69-V73 HydrophobicContact CZ-CG2 4.13Å; F69-V73 WeakPolarHBondContact O-CG2 3.5Å; F69-V73 PolarHBondContact O-N 2.98Å; L70-V73 WeakPolarHBondContact O-CB 3.17Å; L70-V73 PolarHBondContact O-N 3.39Å; V73-G77 VanDerWaalsContact O-CA 3.31Å; V73-G77 WeakPolarHBondContact O-CA 3.5Å; V73-G77 PolarHBondContact O-N 3.46Å; V73-G147 VanDerWaalsContact CA-O 3.24Å; V73-G147 WeakPolarHBondContact CA-O 3.24Å; V73-G147 WeakPolarHBondContact CG2-O 3.36Å; V73-G147 PolarHBondContact N-O 3.33Å; V73-V150 HydrophobicContact CG2-CB 4.14Å; V73-V150 HydrophobicContact CG2-CG1 4.18Å; V73-G151 WeakPolarHBondContact O-CA 3.44Å; V73-M155 HydrophobicContact CG1-CE 4.09Å
74	I	94	Very high	93.8	Very high	12 Å²	12	14.2 Å²	14.2	6%	0.062	7%	0.074	C	C	.	.	H	α-helix	trans	-70.2	-52	-176.9	-64.5	165.9	0	0	0	110.8	L70 I71 S72 A78 L178 F179 L185	L70-I74 WeakPolarHBondContact O-CG1 3.41Å; L70-I74 PolarHBondContact O-N 2.9Å; L70-I74 VanDerWaalsContact O-N 3.09Å; I71-I74 PolarHBondContact O-N 3.3Å; S72-I74 VanDerWaalsContact C-N 3.32Å; S72-I74 PolarHBondContact O-N 3.47Å; I74-A78 WeakPolarHBondContact O-CB 3.31Å; I74-A78 PolarHBondContact O-N 2.94Å; I74-A78 VanDerWaalsContact O-N 3.12Å; I74-L178 HydrophobicContact CD1-CD1 4.32Å; I74-L178 HydrophobicContact CD1-CG 4.19Å; I74-L178 HydrophobicContact CG1-CD1 4.4Å; I74-L178 HydrophobicContact CG1-CD2 4.19Å; I74-L178 HydrophobicContact CG1-CG 4.01Å; I74-L178 HydrophobicContact CG2-CD2 4.32Å; I74-L178 HydrophobicContact CG2-CG 4.17Å; I74-F179 HydrophobicContact CG2-CD1 4Å; I74-F179 HydrophobicContact CG2-CD2 4.23Å; I74-F179 HydrophobicContact CG2-CE1 4Å; I74-F179 HydrophobicContact CG2-CE2 4.19Å; I74-F179 HydrophobicContact CG2-CG 4.1Å; I74-F179 HydrophobicContact CG2-CZ 4.06Å; I74-L185 HydrophobicContact CD1-CD1 4.31Å
75	I	92.2	Very high	93.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-69.8	-61.7	-173.3	-65.3	172.4	0	0	0	111	I71 G77 A78 V79 Y111 A118 T121 F179	I71-I75 HydrophobicContact CG2-CD1 3.56Å; I71-I75 HydrophobicContact CG2-CG1 4.4Å; I71-I75 WeakPolarHBondContact O-CG1 3.39Å; I71-I75 PolarHBondContact O-N 2.96Å; I75-G77 VanDerWaalsContact C-N 3.31Å; I75-G77 PolarHBondContact O-N 2.89Å; I75-A78 PolarHBondContact O-N 3Å; I75-V79 WeakPolarHBondContact O-CG2 3.06Å; I75-V79 PolarHBondContact O-N 3.08Å; I75-Y111 HydrophobicContact CG2-CD2 3.96Å; I75-Y111 HydrophobicContact CG2-CE1 4.33Å; I75-Y111 HydrophobicContact CG2-CE2 3.59Å; I75-Y111 HydrophobicContact CG2-CG 4.48Å; I75-A118 HydrophobicContact CD1-CB 4.17Å; I75-A118 HydrophobicContact CG1-CB 4.21Å; I75-A118 HydrophobicContact CG2-CB 3.89Å; I75-T121 HydrophobicContact CD1-CG2 4.02Å; I75-F179 HydrophobicContact CG1-CE1 3.97Å
76	D	90.9	Very high	93.5	Very high	8 Å²	8	14.7 Å²	14.7	4%	0.043	8%	0.076	C	C	.	.	H	α-helix	trans	-68.9	-34.8	-175	-72.4	-15.1	0	0	0	110.8	S72 A78 V79 F80 Y111 S148	S72-D76 WeakPolarHBondContact O-CB 3.39Å; S72-D76 PolarHBondContact O-N 2.94Å; D76-A78 PolarHBondContact O-N 3.44Å; D76-V79 PolarHBondContact O-N 3.49Å; D76-F80 HydrophobicContact CB-CD2 4.17Å; D76-F80 HydrophobicContact CB-CE2 3.92Å; D76-F80 WeakPolarHBondContact O-CB 3.5Å; D76-F80 WeakPolarHBondContact O-CD2 3.06Å; D76-F80 WeakPolarHBondContact O-CG 3.37Å; D76-F80 PolarHBondContact O-N 3.38Å; D76-Y111 PolarHBondContact OD1-OH 3.41Å; D76-S148 WeakPolarHBondContact CB-OG 3.31Å; D76-S148 WeakPolarHBondContact OD2-CB 3.48Å; D76-S148 PolarHBondContact OD2-OG 2.74Å
77	G	93.3	Very high	93.2	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-62	-42.8	175.7	0	0	0	0	0	112.6	V73 I75 F80 S81 G151 M155	V73-G77 VanDerWaalsContact O-CA 3.31Å; V73-G77 WeakPolarHBondContact O-CA 3.5Å; V73-G77 PolarHBondContact O-N 3.46Å; I75-G77 VanDerWaalsContact C-N 3.31Å; I75-G77 PolarHBondContact O-N 2.89Å; G77-F80 PolarHBondContact O-N 2.88Å; G77-S81 WeakPolarHBondContact O-CB 3.37Å; G77-S81 PolarHBondContact O-N 3.11Å; G77-S81 PolarHBondContact O-OG 3.45Å; G77-G151 WeakPolarHBondContact CA-O 3.3Å; G77-M155 WeakPolarHBondContact O-CB 3.25Å
78	A	92.3	Very high	92.9	Very high	3 Å²	3	13 Å²	13	3%	0.025	7%	0.073	C	C	.	.	H	α-helix	trans	-62.8	-42.8	173.4	0	0	0	0	0	111.8	I74 I75 D76 S81 Y82 F107 Y159 F179	I74-A78 WeakPolarHBondContact O-CB 3.31Å; I74-A78 PolarHBondContact O-N 2.94Å; I74-A78 VanDerWaalsContact O-N 3.12Å; I75-A78 PolarHBondContact O-N 3Å; D76-A78 PolarHBondContact O-N 3.44Å; A78-S81 PolarHBondContact O-N 2.98Å; A78-Y82 PolarHBondContact O-N 3.02Å; A78-F107 HydrophobicContact CB-CE1 3.89Å; A78-F107 HydrophobicContact CB-CZ 4.08Å; A78-Y159 HydrophobicContact CB-CE2 4.39Å; A78-Y159 WeakPolarHBondContact CB-OH 3.37Å; A78-F179 HydrophobicContact CB-CE2 3.92Å; A78-F179 HydrophobicContact CB-CZ 3.72Å
79	V	91.9	Very high	92.8	Very high	8 Å²	8	13.5 Å²	13.5	5%	0.048	8%	0.075	C	C	.	.	H	α-helix	trans	-61	-47.4	177.5	170.9	0	0	0	0	111	I75 D76 S81 Y82 F107 Y435	I75-V79 WeakPolarHBondContact O-CG2 3.06Å; I75-V79 PolarHBondContact O-N 3.08Å; D76-V79 PolarHBondContact O-N 3.49Å; V79-S81 VanDerWaalsContact C-N 3.27Å; V79-S81 PolarHBondContact O-N 2.98Å; V79-Y82 WeakPolarHBondContact O-CB 3.18Å; V79-Y82 PolarHBondContact O-N 2.99Å; V79-F107 HydrophobicContact CB-CE1 4.25Å; V79-F107 HydrophobicContact CG2-CD1 3.86Å; V79-F107 HydrophobicContact CG2-CE1 3.43Å; V79-F107 VanDerWaalsContact CG2-CE1 3.43Å; V79-F107 HydrophobicContact CG2-CZ 3.83Å; V79-Y435 HydrophobicContact CG1-CD1 4.38Å; V79-Y435 HydrophobicContact CG1-CE1 3.62Å
80	F	91.5	Very high	92.7	Very high	7 Å²	7	12.4 Å²	12.4	3%	0.031	7%	0.073	C	C	.	.	H	α-helix	trans	-72.6	-18.2	-179.4	-65.9	-46.9	0	0	0	113.9	D76 G77 A152 F434 Y435 F438	D76-F80 HydrophobicContact CB-CD2 4.17Å; D76-F80 HydrophobicContact CB-CE2 3.92Å; D76-F80 WeakPolarHBondContact O-CB 3.5Å; D76-F80 WeakPolarHBondContact O-CD2 3.06Å; D76-F80 WeakPolarHBondContact O-CG 3.37Å; D76-F80 PolarHBondContact O-N 3.38Å; G77-F80 PolarHBondContact O-N 2.88Å; F80-A152 HydrophobicContact CB-CB 4.18Å; F80-A152 HydrophobicContact CD2-CB 3.79Å; F80-A152 HydrophobicContact CG-CB 4.3Å; F80-F434 AromaticContact CE1-CE1 3.93Å; F80-F434 HydrophobicContact CE1-CE1 3.93Å; F80-F434 HydrophobicContact CE1-CZ 4.2Å; F80-F434 HydrophobicContact CZ-CE1 4.45Å; F80-F434 HydrophobicContact CZ-CZ 4.4Å; F80-Y435 HydrophobicContact CD1-CE1 4.21Å; F80-Y435 HydrophobicContact CE1-CD1 4.35Å; F80-Y435 AromaticContact CE1-CE1 3.79Å; F80-Y435 HydrophobicContact CE1-CE1 3.79Å; F80-F438 HydrophobicContact CB-CD1 4.1Å; F80-F438 HydrophobicContact CD1-CB 4.29Å; F80-F438 AromaticContact CD1-CD1 3.57Å; F80-F438 HydrophobicContact CD1-CD1 3.57Å; F80-F438 HydrophobicContact CD1-CD2 4.05Å; F80-F438 AromaticContact CD1-CE1 3.79Å; F80-F438 HydrophobicContact CD1-CE1 3.79Å; F80-F438 HydrophobicContact CD1-CE2 4.25Å; F80-F438 AromaticContact CD1-CG 3.71Å; F80-F438 HydrophobicContact CD1-CG 3.71Å; F80-F438 HydrophobicContact CD1-CZ 4.13Å; F80-F438 HydrophobicContact CE1-CD1 4.26Å; F80-F438 HydrophobicContact CE1-CD2 4.12Å; F80-F438 HydrophobicContact CE1-CE1 4.15Å; F80-F438 HydrophobicContact CE1-CE2 4Å; F80-F438 HydrophobicContact CE1-CG 4.25Å; F80-F438 HydrophobicContact CE1-CZ 4.02Å; F80-F438 HydrophobicContact CG-CD1 4.04Å; F80-F438 HydrophobicContact CG-CE1 4.17Å
81	S	93.5	Very high	92.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-1.2	-179.9	-57.6	0	0	0	0	113.5	G77 A78 V79 G83 I84 M155 P156	G77-S81 WeakPolarHBondContact O-CB 3.37Å; G77-S81 PolarHBondContact O-N 3.11Å; G77-S81 PolarHBondContact O-OG 3.45Å; A78-S81 PolarHBondContact O-N 2.98Å; V79-S81 VanDerWaalsContact C-N 3.27Å; V79-S81 PolarHBondContact O-N 2.98Å; S81-G83 PolarHBondContact O-N 2.95Å; S81-G83 VanDerWaalsContact O-N 3.14Å; S81-I84 WeakPolarHBondContact O-CB 3.47Å; S81-I84 PolarHBondContact O-N 3.38Å; S81-M155 VanDerWaalsContact OG-C 3.3Å; S81-M155 WeakPolarHBondContact OG-CB 3.34Å; S81-P156 WeakPolarHBondContact OG-CD 3.45Å; S81-P156 WeakPolarHBondContact OG-CG 3.45Å; S81-P156 VanDerWaalsContact OG-N 3.13Å
82	Y	92.4	Very high	92.4	Very high	10 Å²	10	22.7 Å²	22.7	4%	0.039	12%	0.115	C	C	.	.	H	α-helix	trans	-56.5	-31.1	179.7	176.2	-96.6	0	0	0	113.2	A78 V79 I84 L85 L86 L89 S100 V103 G104 V439	A78-Y82 PolarHBondContact O-N 3.02Å; V79-Y82 WeakPolarHBondContact O-CB 3.18Å; V79-Y82 PolarHBondContact O-N 2.99Å; Y82-I84 PolarHBondContact O-N 3.43Å; Y82-L85 HydrophobicContact CD2-CB 4.39Å; Y82-L85 HydrophobicContact CD2-CD2 4.19Å; Y82-L85 HydrophobicContact CE2-CB 4.48Å; Y82-L85 HydrophobicContact CE2-CD2 4.06Å; Y82-L85 WeakPolarHBondContact O-CB 3.43Å; Y82-L85 PolarHBondContact O-N 3.08Å; Y82-L86 HydrophobicContact CE1-CB 4.13Å; Y82-L86 HydrophobicContact CE1-CD1 4.27Å; Y82-L86 PolarHBondContact O-N 3.14Å; Y82-L86 VanDerWaalsContact O-N 3.16Å; Y82-L89 HydrophobicContact CE2-CD1 4.32Å; Y82-S100 VanDerWaalsContact OH-C 3.32Å; Y82-S100 PolarHBondContact OH-O 3.44Å; Y82-V103 HydrophobicContact CE2-CB 4.16Å; Y82-V103 HydrophobicContact CE2-CG1 4.17Å; Y82-G104 VanDerWaalsContact CD2-CA 3.41Å; Y82-G104 VanDerWaalsContact CE2-N 3.28Å; Y82-G104 VanDerWaalsContact CZ-CA 3.49Å; Y82-V439 HydrophobicContact CD1-CG1 4.33Å; Y82-V439 HydrophobicContact CD1-CG2 4.34Å; Y82-V439 HydrophobicContact CE1-CG1 4.48Å
83	G	91.2	Very high	92.4	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-55.8	-23.4	176.6	0	0	0	0	0	114.5	S81 P87 V439	S81-G83 PolarHBondContact O-N 2.95Å; S81-G83 VanDerWaalsContact O-N 3.14Å; G83-P87 WeakPolarHBondContact O-CD 3.25Å; G83-V439 WeakPolarHBondContact CA-O 3.24Å
84	I	92.8	Very high	92.4	Very high	16 Å²	16	34.6 Å²	34.6	8%	0.082	17%	0.173	C	C	.	.	H	α-helix	trans	-78.4	-33.5	175.5	-56.9	-174.4	0	0	0	111.7	S81 Y82 L86 P156 A160 I163 N456 L459	S81-I84 WeakPolarHBondContact O-CB 3.47Å; S81-I84 PolarHBondContact O-N 3.38Å; Y82-I84 PolarHBondContact O-N 3.43Å; I84-L86 VanDerWaalsContact C-N 3.33Å; I84-P156 VanDerWaalsContact CD1-CA 3.44Å; I84-P156 HydrophobicContact CD1-CB 3.71Å; I84-P156 WeakPolarHBondContact CD1-O 3.46Å; I84-A160 HydrophobicContact CG2-CB 4.47Å; I84-I163 HydrophobicContact CG2-CD1 4.12Å; I84-N456 HydrophobicContact CD1-CB 4.23Å; I84-N456 WeakPolarHBondContact CG1-OD1 3.3Å; I84-L459 HydrophobicContact CD1-CD1 4.07Å; I84-L459 HydrophobicContact CG1-CD1 3.66Å
85	L	92	Very high	92.3	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.042	18%	0.179	C	C	.	.	H	α-helix	trans	-75.3	-27.4	178.3	-174.5	63.9	0	0	0	111.6	Y82 A88 L89 I163 W168 M172	Y82-L85 HydrophobicContact CD2-CB 4.39Å; Y82-L85 HydrophobicContact CD2-CD2 4.19Å; Y82-L85 HydrophobicContact CE2-CB 4.48Å; Y82-L85 HydrophobicContact CE2-CD2 4.06Å; Y82-L85 WeakPolarHBondContact O-CB 3.43Å; Y82-L85 PolarHBondContact O-N 3.08Å; L85-A88 PolarHBondContact O-N 3.39Å; L85-L89 HydrophobicContact CD1-CG 4.27Å; L85-L89 HydrophobicContact CD2-CD1 3.96Å; L85-L89 HydrophobicContact CG-CD1 3.75Å; L85-L89 HydrophobicContact CG-CG 3.91Å; L85-L89 WeakPolarHBondContact O-CG 3.39Å; L85-L89 PolarHBondContact O-N 3.14Å; L85-I163 HydrophobicContact CD1-CD1 4.03Å; L85-W168 HydrophobicContact CD1-CB 3.8Å; L85-M172 HydrophobicContact CD1-CE 3.85Å; L85-M172 HydrophobicContact CD2-CE 3.54Å; L85-M172 HydrophobicContact CD2-SD 3.91Å; L85-M172 HydrophobicContact CG-CE 4.31Å
86	L	92	Very high	92.4	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.026	19%	0.193	C	C	.	.	H	α-helix	trans	-56.9	-53.4	-174.2	175.9	69.5	0	0	0	113.2	Y82 I84 A88 L89 C90 V97 A101 V439 Y440	Y82-L86 HydrophobicContact CE1-CB 4.13Å; Y82-L86 HydrophobicContact CE1-CD1 4.27Å; Y82-L86 PolarHBondContact O-N 3.14Å; Y82-L86 VanDerWaalsContact O-N 3.16Å; I84-L86 VanDerWaalsContact C-N 3.33Å; L86-A88 VanDerWaalsContact C-N 3.32Å; L86-A88 PolarHBondContact O-N 3.24Å; L86-L89 PolarHBondContact O-N 3.4Å; L86-C90 PolarHBondContact O-N 3.22Å; L86-C90 PolarHBondContact O-SG 3.42Å; L86-C90 VanDerWaalsContact O-SG 3.35Å; L86-V97 HydrophobicContact CD2-CG1 4.34Å; L86-A101 HydrophobicContact CD1-CB 4.41Å; L86-V439 HydrophobicContact CD2-CG1 3.8Å; L86-Y440 HydrophobicContact CD2-CD1 4.07Å; L86-Y440 HydrophobicContact CD2-CE1 3.7Å
87	P	91.1	Very high	92.4	Very high	45 Å²	45	38 Å²	38	29%	0.292	20%	0.197	S	C	.	.	H	α-helix	trans	-58.4	-41.9	177.2	-24.1	33.3	0	0	0	113	G83 L89 C90 E91	G83-P87 WeakPolarHBondContact O-CD 3.25Å; P87-L89 VanDerWaalsContact C-N 3.31Å; P87-L89 PolarHBondContact O-N 3.44Å; P87-C90 PolarHBondContact O-N 3.3Å; P87-E91 WeakPolarHBondContact O-CB 3.2Å; P87-E91 PolarHBondContact O-N 3.09Å
88	A	91.1	Very high	92.4	Very high	21 Å²	21	39.4 Å²	39.4	17%	0.174	21%	0.206	C	C	.	.	H	α-helix	trans	-64.2	-34.9	-179.6	0	0	0	0	0	112.6	L85 L86 Y92 I163 W168	L85-A88 PolarHBondContact O-N 3.39Å; L86-A88 VanDerWaalsContact C-N 3.32Å; L86-A88 PolarHBondContact O-N 3.24Å; A88-Y92 WeakPolarHBondContact O-CB 3.38Å; A88-Y92 PolarHBondContact O-N 3.22Å; A88-Y92 VanDerWaalsContact O-N 3.07Å; A88-I163 HydrophobicContact CB-CG2 4.44Å; A88-W168 HydrophobicContact CB-CB 4.35Å
89	L	93.1	Very high	92.5	Very high	10 Å²	10	45 Å²	45	5%	0.052	23%	0.231	C	C	.	.	H	α-helix	trans	-72.7	-44.5	174.7	-69.9	174.7	0	0	0	111.9	Y82 L85 L86 P87 E91 Y92 F93 W168	Y82-L89 HydrophobicContact CE2-CD1 4.32Å; L85-L89 HydrophobicContact CD1-CG 4.27Å; L85-L89 HydrophobicContact CD2-CD1 3.96Å; L85-L89 HydrophobicContact CG-CD1 3.75Å; L85-L89 HydrophobicContact CG-CG 3.91Å; L85-L89 WeakPolarHBondContact O-CG 3.39Å; L85-L89 PolarHBondContact O-N 3.14Å; L86-L89 PolarHBondContact O-N 3.4Å; P87-L89 VanDerWaalsContact C-N 3.31Å; P87-L89 PolarHBondContact O-N 3.44Å; L89-E91 VanDerWaalsContact C-N 3.32Å; L89-E91 PolarHBondContact O-N 3.37Å; L89-Y92 PolarHBondContact O-N 2.93Å; L89-F93 HydrophobicContact CD2-CD2 4.21Å; L89-F93 HydrophobicContact CD2-CE2 3.94Å; L89-F93 WeakPolarHBondContact O-CB 3.45Å; L89-F93 PolarHBondContact O-N 3.39Å; L89-W168 HydrophobicContact CD2-CD2 4.15Å; L89-W168 HydrophobicContact CD2-CE3 4.04Å; L89-W168 HydrophobicContact CD2-CZ3 4.35Å
90	C	92.7	Very high	92.6	Very high	23 Å²	23	44.9 Å²	44.9	16%	0.155	23%	0.231	C	C	.	.	H	α-helix	trans	-57.3	-47.8	176.9	-68.5	0	0	0	0	110.9	L86 P87 N94 S95 S100	L86-C90 PolarHBondContact O-N 3.22Å; L86-C90 PolarHBondContact O-SG 3.42Å; L86-C90 VanDerWaalsContact O-SG 3.35Å; P87-C90 PolarHBondContact O-N 3.3Å; C90-N94 CarbonylContact O-C 3.59Å; C90-N94 WeakPolarHBondContact O-CA 3.41Å; C90-N94 PolarHBondContact O-N 3.21Å; C90-S95 PolarHBondContact O-N 2.87Å; C90-S100 PolarHBondContact N-OG 3.45Å
91	E	91.8	Very high	92.7	Very high	166 Å²	166	44.5 Å²	44.5	78%	0.776	23%	0.229	S	C	*	.	H	α-helix	trans	-64.9	-50.2	179.5	-174.6	178.9	-175.3	0	0	111.8	P87 L89 F93 N94	P87-E91 WeakPolarHBondContact O-CB 3.2Å; P87-E91 PolarHBondContact O-N 3.09Å; L89-E91 VanDerWaalsContact C-N 3.32Å; L89-E91 PolarHBondContact O-N 3.37Å; E91-F93 PolarHBondContact O-N 3.09Å; E91-N94 PolarHBondContact O-N 2.97Å
92	Y	92.8	Very high	92.7	Very high	118 Å²	118	49.9 Å²	49.9	46%	0.463	25%	0.25	S	C	.	.	H	α-helix	trans	-64.6	-43.6	-175.9	-179.6	-88.2	0	0	0	113	A88 L89 N94 W168 R169	A88-Y92 WeakPolarHBondContact O-CB 3.38Å; A88-Y92 PolarHBondContact O-N 3.22Å; A88-Y92 VanDerWaalsContact O-N 3.07Å; L89-Y92 PolarHBondContact O-N 2.93Å; Y92-N94 VanDerWaalsContact C-N 3.34Å; Y92-W168 AromaticContact CD1-CE2 3.9Å; Y92-W168 AromaticContact CD1-CZ2 3.71Å; Y92-W168 HydrophobicContact CD1-CZ2 3.71Å; Y92-W168 AromaticContact CD1-NE1 3.56Å; Y92-W168 AromaticContact CD2-NE1 3.37Å; Y92-W168 AromaticContact CE1-CZ2 3.88Å; Y92-W168 HydrophobicContact CE1-CZ2 3.88Å; Y92-W168 AromaticContact CG-CE2 3.96Å; Y92-W168 HydrophobicContact CG-CZ2 4.25Å; Y92-W168 AromaticContact CG-NE1 3.14Å; Y92-R169 VanDerWaalsContact CE1-NH2 3.29Å; Y92-R169 VanDerWaalsContact CZ-CZ 3.48Å; Y92-R169 VanDerWaalsContact OH-CZ 3.31Å; Y92-R169 PolarHBondContact OH-NH1 3.35Å; Y92-R169 PolarHBondContact OH-NH2 3.32Å
93	F	94.3	Very high	92.7	Very high	114 Å²	114	53.2 Å²	53.2	50%	0.5	27%	0.271	S	S	.	.	H	α-helix	trans	-88.6	-2.8	-179.2	-72.5	-73.6	0	0	0	113.3	L89 E91 S95 W168	L89-F93 HydrophobicContact CD2-CD2 4.21Å; L89-F93 HydrophobicContact CD2-CE2 3.94Å; L89-F93 WeakPolarHBondContact O-CB 3.45Å; L89-F93 PolarHBondContact O-N 3.39Å; E91-F93 PolarHBondContact O-N 3.09Å; F93-S95 PolarHBondContact O-N 3.23Å; F93-W168 AromaticContact CE2-CH2 3.88Å; F93-W168 HydrophobicContact CE2-CH2 3.88Å; F93-W168 AromaticContact CE2-CZ2 3.71Å; F93-W168 HydrophobicContact CE2-CZ2 3.71Å; F93-W168 AromaticContact CZ-CH2 3.84Å; F93-W168 HydrophobicContact CZ-CH2 3.84Å; F93-W168 AromaticContact CZ-CZ2 3.78Å; F93-W168 HydrophobicContact CZ-CZ2 3.78Å
94	N	93.8	Very high	92.6	Very high	152 Å²	152	53.4 Å²	53.4	81%	0.813	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.7	45	-170.3	-169.3	50.6	0	0	0	111.4	C90 E91 Y92	C90-N94 CarbonylContact O-C 3.59Å; C90-N94 WeakPolarHBondContact O-CA 3.41Å; C90-N94 PolarHBondContact O-N 3.21Å; E91-N94 PolarHBondContact O-N 2.97Å; Y92-N94 VanDerWaalsContact C-N 3.34Å
95	S	92.3	Very high	92.6	Very high	27 Å²	27	52.7 Å²	52.7	19%	0.189	27%	0.269	C	S	.	.			trans	-106.1	158.2	-172.9	64.3	0	0	0	0	111.3	C90 F93 E99 S100	C90-S95 PolarHBondContact O-N 2.87Å; F93-S95 PolarHBondContact O-N 3.23Å; S95-E99 WeakPolarHBondContact CB-OE2 3.41Å; S95-S100 PolarHBondContact OG-OG 3.43Å
96	S	93	Very high	92.5	Very high	42 Å²	42	56.2 Å²	56.2	29%	0.294	29%	0.288	S	S	.	.			trans	-67.1	160.3	174	62	0	0	0	0	111.9	V98 E99 S100 D569	S96-V98 PolarHBondContact O-N 3.18Å; S96-E99 PolarHBondContact N-OE2 3.38Å; S96-E99 PolarHBondContact O-N 3.36Å; S96-E99 WeakPolarHBondContact OG-CB 3.47Å; S96-E99 WeakPolarHBondContact OG-CG 3.45Å; S96-E99 PolarHBondContact OG-N 2.72Å; S96-E99 PolarHBondContact OG-OE2 3Å; S96-S100 PolarHBondContact O-N 2.85Å; S96-D569 WeakPolarHBondContact CB-OD2 3.44Å
97	V	92.5	Very high	92.4	Very high	21 Å²	21	59.1 Å²	59.1	13%	0.127	30%	0.3	C	S	.	.	H	α-helix	trans	-63.4	-36	179.5	176.3	0	0	0	0	110.7	L86 A101 Y440 F568 D569	L86-V97 HydrophobicContact CD2-CG1 4.34Å; V97-A101 WeakPolarHBondContact O-CB 3.36Å; V97-A101 PolarHBondContact O-N 3.42Å; V97-Y440 HydrophobicContact CG1-CE1 3.64Å; V97-F568 HydrophobicContact CB-CD1 3.97Å; V97-F568 HydrophobicContact CB-CE1 4.49Å; V97-F568 HydrophobicContact CG1-CD1 4.42Å; V97-F568 HydrophobicContact CG2-CD1 3.54Å; V97-F568 HydrophobicContact CG2-CE1 3.57Å; V97-D569 WeakPolarHBondContact CB-OD1 3.13Å; V97-D569 PolarHBondContact N-OD1 3.48Å; V97-D569 PolarHBondContact N-OD2 3.37Å
98	V	93.5	Very high	92.1	Very high	30 Å²	30	57.1 Å²	57.1	18%	0.182	29%	0.287	C	S	.	.	H	α-helix	trans	-58.2	-52	173.7	175.4	0	0	0	0	112.1	S96 S100 A101 W102 P562 A566 D569	S96-V98 PolarHBondContact O-N 3.18Å; V98-S100 VanDerWaalsContact C-N 3.32Å; V98-S100 PolarHBondContact O-N 3.22Å; V98-A101 PolarHBondContact O-N 3.33Å; V98-W102 PolarHBondContact O-N 2.81Å; V98-P562 HydrophobicContact CG1-CB 4.43Å; V98-A566 HydrophobicContact CG2-CB 3.46Å; V98-A566 VanDerWaalsContact CG2-CB 3.46Å; V98-D569 WeakPolarHBondContact CG2-OD2 3.11Å; V98-D569 PolarHBondContact N-OD2 3.04Å
99	E	93.1	Very high	91.9	Very high	120 Å²	120	56.1 Å²	56.1	56%	0.561	28%	0.279	S	S	*	.	H	α-helix	trans	-59.8	-45.1	-174.3	-77.7	167.1	149.1	0	0	111.1	S95 S96	S95-E99 WeakPolarHBondContact CB-OE2 3.41Å; S96-E99 PolarHBondContact N-OE2 3.38Å; S96-E99 PolarHBondContact O-N 3.36Å; S96-E99 WeakPolarHBondContact OG-CB 3.47Å; S96-E99 WeakPolarHBondContact OG-CG 3.45Å; S96-E99 PolarHBondContact OG-N 2.72Å; S96-E99 PolarHBondContact OG-OE2 3Å
100	S	93.4	Very high	91.2	Very high	6 Å²	6	57.7 Å²	57.7	4%	0.042	29%	0.289	C	S	.	.	H	α-helix	trans	-67.3	-43.6	175.7	-74	0	0	0	0	111.6	Y82 C90 S95 S96 V98 W102 V103	Y82-S100 VanDerWaalsContact OH-C 3.32Å; Y82-S100 PolarHBondContact OH-O 3.44Å; C90-S100 PolarHBondContact N-OG 3.45Å; S95-S100 PolarHBondContact OG-OG 3.43Å; S96-S100 PolarHBondContact O-N 2.85Å; V98-S100 VanDerWaalsContact C-N 3.32Å; V98-S100 PolarHBondContact O-N 3.22Å; S100-W102 PolarHBondContact O-N 2.74Å; S100-V103 WeakPolarHBondContact O-CB 3.23Å; S100-V103 WeakPolarHBondContact O-CG2 3.4Å; S100-V103 PolarHBondContact O-N 3.24Å
101	A	93.9	Very high	90.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.3	-22.8	-176.8	0	0	0	0	0	114.8	L86 V97 V98 V103 G104 S105 Y440	L86-A101 HydrophobicContact CD1-CB 4.41Å; V97-A101 WeakPolarHBondContact O-CB 3.36Å; V97-A101 PolarHBondContact O-N 3.42Å; V98-A101 PolarHBondContact O-N 3.33Å; A101-V103 PolarHBondContact O-N 2.8Å; A101-G104 PolarHBondContact O-N 3.26Å; A101-S105 WeakPolarHBondContact O-CB 3.49Å; A101-S105 PolarHBondContact O-N 3.16Å; A101-S105 VanDerWaalsContact O-N 3.13Å; A101-S105 PolarHBondContact O-OG 3.46Å; A101-Y440 WeakPolarHBondContact CB-OH 3.49Å
102	W	93.7	Very high	90.2	Very high	113 Å²	113	50 Å²	50	43%	0.428	25%	0.251	S	S	.	.	H	α-helix	trans	-57.8	-35	171.5	-80.8	104.1	0	0	0	112.7	V98 S100 S105 L106 I558 P562	V98-W102 PolarHBondContact O-N 2.81Å; S100-W102 PolarHBondContact O-N 2.74Å; W102-S105 PolarHBondContact O-N 3.43Å; W102-L106 VanDerWaalsContact O-CB 3.29Å; W102-L106 WeakPolarHBondContact O-CB 3.38Å; W102-L106 WeakPolarHBondContact O-CG 3.4Å; W102-L106 PolarHBondContact O-N 3.3Å; W102-I558 HydrophobicContact CE3-CG2 4.3Å; W102-I558 HydrophobicContact CZ3-CG2 3.65Å; W102-P562 HydrophobicContact CD2-CB 4Å; W102-P562 HydrophobicContact CD2-CG 3.78Å; W102-P562 HydrophobicContact CE3-CG 4.03Å; W102-P562 HydrophobicContact CG-CB 4.26Å; W102-P562 HydrophobicContact CG-CG 4.09Å; W102-P562 HydrophobicContact CZ2-CB 4.07Å; W102-P562 HydrophobicContact CZ2-CG 4.43Å; W102-P562 HydrophobicContact CZ3-CG 4.47Å
103	V	91.9	Very high	89.2	Confident	80 Å²	80	46.3 Å²	46.3	49%	0.485	24%	0.239	S	C	.	.	H	α-helix	trans	-61.8	-52	-179	179.6	0	0	0	0	110.9	Y82 S100 A101 S105 F107	Y82-V103 HydrophobicContact CE2-CB 4.16Å; Y82-V103 HydrophobicContact CE2-CG1 4.17Å; S100-V103 WeakPolarHBondContact O-CB 3.23Å; S100-V103 WeakPolarHBondContact O-CG2 3.4Å; S100-V103 PolarHBondContact O-N 3.24Å; A101-V103 PolarHBondContact O-N 2.8Å; V103-S105 VanDerWaalsContact C-N 3.31Å; V103-S105 PolarHBondContact O-N 2.91Å; V103-F107 WeakPolarHBondContact O-CB 3.37Å; V103-F107 PolarHBondContact O-N 3.01Å
104	G	90.4	Very high	87.5	Confident	5 Å²	5	45.5 Å²	45.5	5%	0.052	24%	0.243	C	C	.	.	H	α-helix	trans	-67.7	-33	179.6	0	0	0	0	0	113.2	Y82 A101 F107 S108	Y82-G104 VanDerWaalsContact CD2-CA 3.41Å; Y82-G104 VanDerWaalsContact CE2-N 3.28Å; Y82-G104 VanDerWaalsContact CZ-CA 3.49Å; A101-G104 PolarHBondContact O-N 3.26Å; G104-F107 PolarHBondContact O-N 3.43Å; G104-S108 WeakPolarHBondContact O-CB 3.47Å; G104-S108 PolarHBondContact O-N 3.43Å; G104-S108 PolarHBondContact O-OG 3Å
105	S	92.2	Very high	85.9	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-77.8	-35.4	-177.5	-51.5	0	0	0	0	112.3	A101 W102 V103 F107 S108 G109 I558 S561 P562	A101-S105 WeakPolarHBondContact O-CB 3.49Å; A101-S105 PolarHBondContact O-N 3.16Å; A101-S105 VanDerWaalsContact O-N 3.13Å; A101-S105 PolarHBondContact O-OG 3.46Å; W102-S105 PolarHBondContact O-N 3.43Å; V103-S105 VanDerWaalsContact C-N 3.31Å; V103-S105 PolarHBondContact O-N 2.91Å; S105-F107 VanDerWaalsContact C-N 3.35Å; S105-S108 PolarHBondContact O-OG 2.88Å; S105-G109 WeakPolarHBondContact O-CA 3.45Å; S105-G109 PolarHBondContact O-N 3.35Å; S105-I558 WeakPolarHBondContact CB-O 3.31Å; S105-S561 WeakPolarHBondContact OG-CB 3.3Å; S105-S561 PolarHBondContact OG-OG 3.36Å; S105-P562 VanDerWaalsContact OG-CD 3.23Å; S105-P562 WeakPolarHBondContact OG-CD 3.22Å
106	L	90.7	Very high	84.9	Confident	82 Å²	82	41.8 Å²	41.8	43%	0.429	22%	0.224	S	C	.	.	H	α-helix	trans	-64.8	-41.9	167.4	-72.8	171.3	0	0	0	110.5	W102 V110 I558	W102-L106 VanDerWaalsContact O-CB 3.29Å; W102-L106 WeakPolarHBondContact O-CB 3.38Å; W102-L106 WeakPolarHBondContact O-CG 3.4Å; W102-L106 PolarHBondContact O-N 3.3Å; L106-V110 WeakPolarHBondContact O-CB 3.48Å; L106-V110 WeakPolarHBondContact O-CG2 3.29Å; L106-V110 PolarHBondContact O-N 3.27Å; L106-I558 HydrophobicContact CD2-CD1 4.17Å; L106-I558 HydrophobicContact CD2-CG2 4.19Å
107	F	88.4	Confident	84	Confident	66 Å²	66	42.3 Å²	42.3	29%	0.289	24%	0.236	S	C	.	.	H	α-helix	trans	-61.3	-48.6	176.7	177.9	-132	0	0	0	112.3	A78 V79 V103 G104 S105 Y111 F179	A78-F107 HydrophobicContact CB-CE1 3.89Å; A78-F107 HydrophobicContact CB-CZ 4.08Å; V79-F107 HydrophobicContact CB-CE1 4.25Å; V79-F107 HydrophobicContact CG2-CD1 3.86Å; V79-F107 HydrophobicContact CG2-CE1 3.43Å; V79-F107 VanDerWaalsContact CG2-CE1 3.43Å; V79-F107 HydrophobicContact CG2-CZ 3.83Å; V103-F107 WeakPolarHBondContact O-CB 3.37Å; V103-F107 PolarHBondContact O-N 3.01Å; G104-F107 PolarHBondContact O-N 3.43Å; S105-F107 VanDerWaalsContact C-N 3.35Å; F107-Y111 VanDerWaalsContact O-CB 3.31Å; F107-Y111 WeakPolarHBondContact O-CB 3.32Å; F107-Y111 PolarHBondContact O-N 3.22Å; F107-F179 HydrophobicContact CE2-CZ 4.37Å; F107-F179 HydrophobicContact CZ-CE1 4.37Å; F107-F179 AromaticContact CZ-CZ 3.76Å; F107-F179 HydrophobicContact CZ-CZ 3.76Å
108	S	86.4	Confident	83.2	Confident	3 Å²	3	42 Å²	42	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-69.4	-38.3	178.6	68.9	0	0	0	0	112.9	G104 S105 Y111 L112	G104-S108 WeakPolarHBondContact O-CB 3.47Å; G104-S108 PolarHBondContact O-N 3.43Å; G104-S108 PolarHBondContact O-OG 3Å; S105-S108 PolarHBondContact O-OG 2.88Å; S108-Y111 WeakPolarHBondContact O-CB 3.32Å; S108-L112 WeakPolarHBondContact O-CG 3.29Å; S108-L112 PolarHBondContact O-N 3.12Å
109	G	86	Confident	82.4	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-82.2	-38.3	-176.1	0	0	0	0	0	115.1	S105 Y111 L112 L113 S557	S105-G109 WeakPolarHBondContact O-CA 3.45Å; S105-G109 PolarHBondContact O-N 3.35Å; G109-Y111 PolarHBondContact O-N 3.02Å; G109-L112 PolarHBondContact O-N 3.18Å; G109-L112 VanDerWaalsContact O-N 3.08Å; G109-L113 VanDerWaalsContact O-CB 3.23Å; G109-L113 WeakPolarHBondContact O-CB 3.26Å; G109-L113 VanDerWaalsContact O-CG 3.27Å; G109-L113 WeakPolarHBondContact O-CG 3.31Å; G109-L113 PolarHBondContact O-N 3.45Å; G109-S557 WeakPolarHBondContact CA-OG 3.46Å
110	V	79.4	Confident	81.9	Confident	44 Å²	44	40.8 Å²	40.8	27%	0.267	23%	0.231	S	C	.	.	H	α-helix	trans	-63.6	-36.5	174.3	172.8	0	0	0	0	110.9	L106 L112 L113 V114 I116	L106-V110 WeakPolarHBondContact O-CB 3.48Å; L106-V110 WeakPolarHBondContact O-CG2 3.29Å; L106-V110 PolarHBondContact O-N 3.27Å; V110-L112 VanDerWaalsContact C-N 3.28Å; V110-L112 PolarHBondContact O-N 2.96Å; V110-L113 PolarHBondContact O-N 3.36Å; V110-V114 PolarHBondContact O-N 3.27Å; V110-I116 HydrophobicContact CG1-CD1 3.61Å; V110-I116 HydrophobicContact CG1-CG1 3.34Å
111	Y	80.9	Confident	81.5	Confident	11 Å²	11	42.5 Å²	42.5	4%	0.043	24%	0.242	C	C	.	.	H	α-helix	trans	-54.1	-41.3	171	161	-123.2	0	0	0	112.7	I75 D76 F107 S108 G109 A118 Y122	I75-Y111 HydrophobicContact CG2-CD2 3.96Å; I75-Y111 HydrophobicContact CG2-CE1 4.33Å; I75-Y111 HydrophobicContact CG2-CE2 3.59Å; I75-Y111 HydrophobicContact CG2-CG 4.48Å; D76-Y111 PolarHBondContact OD1-OH 3.41Å; F107-Y111 VanDerWaalsContact O-CB 3.31Å; F107-Y111 WeakPolarHBondContact O-CB 3.32Å; F107-Y111 PolarHBondContact O-N 3.22Å; S108-Y111 WeakPolarHBondContact O-CB 3.32Å; G109-Y111 PolarHBondContact O-N 3.02Å; Y111-A118 HydrophobicContact CD2-CB 3.93Å; Y111-Y122 AromaticContact CE2-CD1 3.85Å; Y111-Y122 HydrophobicContact CE2-CD1 3.85Å; Y111-Y122 AromaticContact CE2-CG 3.75Å; Y111-Y122 HydrophobicContact CE2-CG 3.75Å; Y111-Y122 AromaticContact CZ-CD1 3.87Å; Y111-Y122 AromaticContact CZ-CG 3.94Å; Y111-Y122 VanDerWaalsContact OH-CD1 3.22Å; Y111-Y122 WeakPolarHBondContact OH-CD1 3.42Å; Y111-Y122 WeakPolarHBondContact OH-CD2 3.28Å; Y111-Y122 WeakPolarHBondContact OH-CE1 3.39Å; Y111-Y122 WeakPolarHBondContact OH-CE2 3.44Å; Y111-Y122 VanDerWaalsContact OH-CG 3.23Å
112	L	80.9	Confident	81.1	Confident	16 Å²	16	43.8 Å²	43.8	8%	0.084	25%	0.247	C	C	.	.	H	α-helix	trans	-87.2	-31.1	180	-64.4	174.1	0	0	0	113.8	S108 G109 V110 M431 Y435 M550 R553	S108-L112 WeakPolarHBondContact O-CG 3.29Å; S108-L112 PolarHBondContact O-N 3.12Å; G109-L112 PolarHBondContact O-N 3.18Å; G109-L112 VanDerWaalsContact O-N 3.08Å; V110-L112 VanDerWaalsContact C-N 3.28Å; V110-L112 PolarHBondContact O-N 2.96Å; L112-M431 HydrophobicContact CD1-CE 3.78Å; L112-Y435 HydrophobicContact CD1-CE2 4.47Å; L112-M550 HydrophobicContact CB-CE 4.47Å; L112-M550 HydrophobicContact CD2-CE 3.37Å; L112-M550 HydrophobicContact CD2-SD 4.33Å; L112-R553 HydrophobicContact CD1-CB 4.5Å
113	L	73.3	Confident	80.7	Confident	41 Å²	41	40.8 Å²	40.8	22%	0.215	24%	0.239	C	C	.	.	H	α-helix	trans	-80.7	-64.9	-169.9	-84.4	-177.1	0	0	0	114.9	G109 V110 L551 G554 V555 I558	G109-L113 VanDerWaalsContact O-CB 3.23Å; G109-L113 WeakPolarHBondContact O-CB 3.26Å; G109-L113 VanDerWaalsContact O-CG 3.27Å; G109-L113 WeakPolarHBondContact O-CG 3.31Å; G109-L113 PolarHBondContact O-N 3.45Å; V110-L113 PolarHBondContact O-N 3.36Å; L113-L551 HydrophobicContact CD2-CD1 3.86Å; L113-L551 HydrophobicContact CD2-CG 4.44Å; L113-L551 WeakPolarHBondContact CD2-O 3.43Å; L113-G554 VanDerWaalsContact CG-C 3.41Å; L113-V555 HydrophobicContact CD1-CG2 4.45Å; L113-V555 HydrophobicContact CD2-CB 4.36Å; L113-V555 HydrophobicContact CD2-CG2 3.59Å; L113-I558 HydrophobicContact CD1-CD1 3.35Å; L113-I558 HydrophobicContact CD1-CG1 4.23Å; L113-I558 HydrophobicContact CG-CD1 4.5Å
114	V	57.1	Low	80.5	Confident	96 Å²	96	39.4 Å²	39.4	58%	0.582	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-11	-164.6	-161.1	0	0	0	0	109.8	V110 I116	V110-V114 PolarHBondContact O-N 3.27Å; V114-I116 HydrophobicContact CB-CB 4.41Å; V114-I116 HydrophobicContact CB-CD1 4.18Å; V114-I116 HydrophobicContact CB-CG1 3.98Å; V114-I116 HydrophobicContact CB-CG2 3.95Å; V114-I116 HydrophobicContact CG1-CD1 4.3Å; V114-I116 HydrophobicContact CG1-CG1 4.4Å; V114-I116 HydrophobicContact CG1-CG2 3.57Å; V114-I116 HydrophobicContact CG2-CD1 4.47Å; V114-I116 PolarHBondContact O-N 3.21Å
115	G	61.8	Low	80.6	Confident	15 Å²	15	39.2 Å²	39.2	16%	0.155	23%	0.229	C	C	.	.			trans	60.5	20.8	-170.1	0	0	0	0	0	112	G119 L120	G115-G119 CarbonylContact O-C 3.6Å; G115-L120 WeakPolarHBondContact O-CA 3.13Å; G115-L120 VanDerWaalsContact O-CD2 3.23Å; G115-L120 WeakPolarHBondContact O-CD2 3.23Å; G115-L120 WeakPolarHBondContact O-CG 3.42Å; G115-L120 PolarHBondContact O-N 3.11Å
116	I	70	Confident	80.4	Confident	87 Å²	87	40.8 Å²	40.8	45%	0.446	24%	0.238	S	C	.	.			trans	-89.8	163.2	175.6	68.2	-177.1	0	0	0	110.8	V110 V114 A118 G119	V110-I116 HydrophobicContact CG1-CD1 3.61Å; V110-I116 HydrophobicContact CG1-CG1 3.34Å; V114-I116 HydrophobicContact CB-CB 4.41Å; V114-I116 HydrophobicContact CB-CD1 4.18Å; V114-I116 HydrophobicContact CB-CG1 3.98Å; V114-I116 HydrophobicContact CB-CG2 3.95Å; V114-I116 HydrophobicContact CG1-CD1 4.3Å; V114-I116 HydrophobicContact CG1-CG1 4.4Å; V114-I116 HydrophobicContact CG1-CG2 3.57Å; V114-I116 HydrophobicContact CG2-CD1 4.47Å; V114-I116 PolarHBondContact O-N 3.21Å; I116-A118 PolarHBondContact O-N 2.93Å; I116-A118 VanDerWaalsContact O-N 3.13Å; I116-G119 PolarHBondContact O-N 2.73Å
117	G	73.9	Confident	80.4	Confident	53 Å²	53	37.2 Å²	37.2	55%	0.546	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	-118	179.4	0	0	0	0	0	111.1	G119 L120	G117-G119 PolarHBondContact O-N 2.97Å; G117-L120 PolarHBondContact O-N 2.66Å
118	A	76.9	Confident	80.5	Confident	14 Å²	14	36.5 Å²	36.5	12%	0.116	22%	0.217	C	C	.	.	H	α-helix	trans	-60.2	-28.3	177.9	0	0	0	0	0	113.5	I75 Y111 I116 L120 T121 Y122	I75-A118 HydrophobicContact CD1-CB 4.17Å; I75-A118 HydrophobicContact CG1-CB 4.21Å; I75-A118 HydrophobicContact CG2-CB 3.89Å; Y111-A118 HydrophobicContact CD2-CB 3.93Å; I116-A118 PolarHBondContact O-N 2.93Å; I116-A118 VanDerWaalsContact O-N 3.13Å; A118-L120 PolarHBondContact O-N 2.88Å; A118-T121 WeakPolarHBondContact O-CB 3.37Å; A118-T121 PolarHBondContact O-N 3.45Å; A118-T121 VanDerWaalsContact O-N 3.14Å; A118-Y122 PolarHBondContact O-N 3.36Å
119	G	77	Confident	80.7	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-65.2	-37.4	177.7	0	0	0	0	0	113.3	G115 I116 G117 T121 Y122 I123	G115-G119 CarbonylContact O-C 3.6Å; I116-G119 PolarHBondContact O-N 2.73Å; G117-G119 PolarHBondContact O-N 2.97Å; G119-T121 PolarHBondContact O-N 3.44Å; G119-Y122 PolarHBondContact O-N 2.66Å; G119-I123 PolarHBondContact O-N 3.19Å; G119-I123 VanDerWaalsContact O-N 3.16Å
120	L	80.8	Confident	80.8	Confident	124 Å²	124	36.5 Å²	36.5	65%	0.649	22%	0.217	S	C	*	.	H	α-helix	trans	-66.7	-20.7	175.1	-76.9	-176.8	0	0	0	112	G115 G117 A118 P124	G115-L120 WeakPolarHBondContact O-CA 3.13Å; G115-L120 VanDerWaalsContact O-CD2 3.23Å; G115-L120 WeakPolarHBondContact O-CD2 3.23Å; G115-L120 WeakPolarHBondContact O-CG 3.42Å; G115-L120 PolarHBondContact O-N 3.11Å; G117-L120 PolarHBondContact O-N 2.66Å; A118-L120 PolarHBondContact O-N 2.88Å; L120-P124 WeakPolarHBondContact O-CD 3.36Å; L120-P124 WeakPolarHBondContact O-CG 3.28Å
121	T	85.4	Confident	81.2	Confident	42 Å²	42	36.5 Å²	36.5	26%	0.258	21%	0.213	S	C	.	.	H	α-helix	trans	-88.9	-46.8	178.7	-50	0	0	0	0	110.3	I71 I75 A118 G119 A125 C182	I71-T121 HydrophobicContact CD1-CG2 4.05Å; I71-T121 HydrophobicContact CG1-CG2 4.16Å; I71-T121 HydrophobicContact CG2-CG2 3.61Å; I75-T121 HydrophobicContact CD1-CG2 4.02Å; A118-T121 WeakPolarHBondContact O-CB 3.37Å; A118-T121 PolarHBondContact O-N 3.45Å; A118-T121 VanDerWaalsContact O-N 3.14Å; G119-T121 PolarHBondContact O-N 3.44Å; T121-A125 WeakPolarHBondContact O-CB 3.41Å; T121-A125 PolarHBondContact O-N 2.92Å; T121-C182 HydrophobicContact CG2-CB 3.66Å
122	Y	86.5	Confident	81.6	Confident	27 Å²	27	36.7 Å²	36.7	11%	0.106	21%	0.213	C	C	.	.	H	α-helix	trans	-76	-46.8	-171.4	-179.9	-103.7	0	0	0	114.5	Y111 A118 G119 A125 V126 M145	Y111-Y122 AromaticContact CE2-CD1 3.85Å; Y111-Y122 HydrophobicContact CE2-CD1 3.85Å; Y111-Y122 AromaticContact CE2-CG 3.75Å; Y111-Y122 HydrophobicContact CE2-CG 3.75Å; Y111-Y122 AromaticContact CZ-CD1 3.87Å; Y111-Y122 AromaticContact CZ-CG 3.94Å; Y111-Y122 VanDerWaalsContact OH-CD1 3.22Å; Y111-Y122 WeakPolarHBondContact OH-CD1 3.42Å; Y111-Y122 WeakPolarHBondContact OH-CD2 3.28Å; Y111-Y122 WeakPolarHBondContact OH-CE1 3.39Å; Y111-Y122 WeakPolarHBondContact OH-CE2 3.44Å; Y111-Y122 VanDerWaalsContact OH-CG 3.23Å; A118-Y122 PolarHBondContact O-N 3.36Å; G119-Y122 PolarHBondContact O-N 2.66Å; Y122-A125 VanDerWaalsContact O-CB 3.28Å; Y122-A125 WeakPolarHBondContact O-CB 3.04Å; Y122-A125 PolarHBondContact O-N 2.89Å; Y122-V126 HydrophobicContact CE1-CG2 4.18Å; Y122-V126 HydrophobicContact CE2-CG2 4.19Å; Y122-V126 WeakPolarHBondContact O-CG2 3.4Å; Y122-V126 PolarHBondContact O-N 3.45Å; Y122-M145 WeakPolarHBondContact OH-CE 3.23Å; Y122-M145 PolarHBondContact OH-SD 3.43Å
123	I	85.3	Confident	82.1	Confident	50 Å²	50	35.9 Å²	35.9	26%	0.256	21%	0.209	S	C	.	.	H	α-helix	trans	-65.4	-48.6	-175	-62.2	174	0	0	0	110.8	G119 A125 V126 V127	G119-I123 PolarHBondContact O-N 3.19Å; G119-I123 VanDerWaalsContact O-N 3.16Å; I123-A125 VanDerWaalsContact C-N 3.28Å; I123-A125 PolarHBondContact O-N 2.96Å; I123-V126 PolarHBondContact O-N 2.92Å; I123-V127 HydrophobicContact CG2-CG2 4.48Å; I123-V127 WeakPolarHBondContact O-CG2 3.17Å; I123-V127 PolarHBondContact O-N 3.49Å
124	P	87.9	Confident	82.8	Confident	51 Å²	51	34.4 Å²	34.4	33%	0.331	20%	0.201	S	C	.	.	H	α-helix	trans	-61.2	-38.4	175.8	-26.8	39.7	0	0	0	112.3	L120 V126 V127 F128	L120-P124 WeakPolarHBondContact O-CD 3.36Å; L120-P124 WeakPolarHBondContact O-CG 3.28Å; P124-V126 VanDerWaalsContact C-N 3.35Å; P124-V126 PolarHBondContact O-N 2.97Å; P124-V127 WeakPolarHBondContact O-CB 3.18Å; P124-V127 PolarHBondContact O-N 3.15Å; P124-V127 VanDerWaalsContact O-N 3.16Å; P124-F128 VanDerWaalsContact O-CD2 3.24Å; P124-F128 WeakPolarHBondContact O-CD2 3.46Å; P124-F128 PolarHBondContact O-N 3.3Å
125	A	91.3	Very high	84.3	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-53.8	-48.4	175.2	0	0	0	0	0	112.9	C68 I71 T121 Y122 I123 F128 V129 M189	C68-A125 HydrophobicContact CB-CB 3.44Å; C68-A125 VanDerWaalsContact CB-CB 3.44Å; C68-A125 VanDerWaalsContact SG-C 3.54Å; I71-A125 HydrophobicContact CD1-CB 4.1Å; I71-A125 HydrophobicContact CG2-CB 4.32Å; T121-A125 WeakPolarHBondContact O-CB 3.41Å; T121-A125 PolarHBondContact O-N 2.92Å; Y122-A125 VanDerWaalsContact O-CB 3.28Å; Y122-A125 WeakPolarHBondContact O-CB 3.04Å; Y122-A125 PolarHBondContact O-N 2.89Å; I123-A125 VanDerWaalsContact C-N 3.28Å; I123-A125 PolarHBondContact O-N 2.96Å; A125-F128 PolarHBondContact O-N 2.84Å; A125-V129 PolarHBondContact O-N 3.22Å; A125-M189 HydrophobicContact CB-CE 3.74Å; A125-M189 HydrophobicContact CB-SD 4.12Å
126	V	89.2	Confident	85.6	Confident	32 Å²	32	40.9 Å²	40.9	19%	0.194	21%	0.213	C	C	.	.	H	α-helix	trans	-66.8	-41.5	176.3	176.1	0	0	0	0	111.3	Y122 I123 P124 F128 V129 G130 M145	Y122-V126 HydrophobicContact CE1-CG2 4.18Å; Y122-V126 HydrophobicContact CE2-CG2 4.19Å; Y122-V126 WeakPolarHBondContact O-CG2 3.4Å; Y122-V126 PolarHBondContact O-N 3.45Å; I123-V126 PolarHBondContact O-N 2.92Å; P124-V126 VanDerWaalsContact C-N 3.35Å; P124-V126 PolarHBondContact O-N 2.97Å; V126-F128 VanDerWaalsContact C-N 3.33Å; V126-F128 PolarHBondContact O-N 3.43Å; V126-V129 WeakPolarHBondContact O-CB 3.28Å; V126-V129 PolarHBondContact O-N 3.39Å; V126-G130 PolarHBondContact O-N 3.21Å; V126-M145 HydrophobicContact CG2-SD 3.91Å
127	V	89.4	Confident	86.5	Confident	8 Å²	8	36.8 Å²	36.8	5%	0.048	19%	0.192	C	C	.	.	H	α-helix	trans	-60	-40.6	177.1	163.1	0	0	0	0	112	I123 P124 V129 G130 Y131 P333 I339 L340	I123-V127 HydrophobicContact CG2-CG2 4.48Å; I123-V127 WeakPolarHBondContact O-CG2 3.17Å; I123-V127 PolarHBondContact O-N 3.49Å; P124-V127 WeakPolarHBondContact O-CB 3.18Å; P124-V127 PolarHBondContact O-N 3.15Å; P124-V127 VanDerWaalsContact O-N 3.16Å; V127-V129 VanDerWaalsContact C-N 3.29Å; V127-V129 PolarHBondContact O-N 3.02Å; V127-G130 WeakPolarHBondContact O-CA 3.35Å; V127-G130 PolarHBondContact O-N 3.32Å; V127-G130 VanDerWaalsContact O-N 3.07Å; V127-Y131 HydrophobicContact CG1-CD2 4.18Å; V127-Y131 HydrophobicContact CG1-CE2 4.27Å; V127-Y131 PolarHBondContact O-N 3.33Å; V127-Y131 VanDerWaalsContact O-N 3.14Å; V127-P333 HydrophobicContact CG1-CB 4.01Å; V127-I339 HydrophobicContact CB-CG1 4.49Å; V127-I339 HydrophobicContact CG1-CD1 4.15Å; V127-I339 HydrophobicContact CG1-CG1 3.73Å; V127-I339 HydrophobicContact CG2-CG1 4.46Å; V127-L340 HydrophobicContact CG2-CD2 3.62Å
128	F	90.6	Very high	87.2	Confident	51 Å²	51	35.5 Å²	35.5	22%	0.224	18%	0.176	C	C	.	.	H	α-helix	trans	-63.1	-33.3	177.9	-94.3	-76.8	0	0	0	112.7	V64 P124 A125 V126 G130 Y131 Y132 M189	V64-F128 HydrophobicContact CG1-CB 3.78Å; P124-F128 VanDerWaalsContact O-CD2 3.24Å; P124-F128 WeakPolarHBondContact O-CD2 3.46Å; P124-F128 PolarHBondContact O-N 3.3Å; A125-F128 PolarHBondContact O-N 2.84Å; V126-F128 VanDerWaalsContact C-N 3.33Å; V126-F128 PolarHBondContact O-N 3.43Å; F128-G130 VanDerWaalsContact C-N 3.3Å; F128-G130 PolarHBondContact O-N 2.98Å; F128-Y131 WeakPolarHBondContact O-CB 3.39Å; F128-Y131 PolarHBondContact O-N 3.15Å; F128-Y132 HydrophobicContact CD1-CE2 4.32Å; F128-Y132 WeakPolarHBondContact O-CD2 3.42Å; F128-Y132 PolarHBondContact O-N 3.37Å; F128-M189 HydrophobicContact CB-CB 4.42Å; F128-M189 HydrophobicContact CB-SD 4.11Å; F128-M189 HydrophobicContact CD1-CB 4Å; F128-M189 HydrophobicContact CD2-CB 3.9Å; F128-M189 HydrophobicContact CD2-SD 4.02Å; F128-M189 HydrophobicContact CE1-CB 4.18Å; F128-M189 WeakPolarHBondContact CE1-O 3.22Å; F128-M189 HydrophobicContact CE2-CB 4.11Å; F128-M189 HydrophobicContact CG-CB 3.86Å; F128-M189 HydrophobicContact CG-CG 4.45Å; F128-M189 HydrophobicContact CG-SD 4.23Å; F128-M189 HydrophobicContact CZ-CB 4.24Å; F128-M189 WeakPolarHBondContact CZ-O 3.4Å
129	V	91.7	Very high	87.7	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-61.7	-43.1	172.6	178.2	0	0	0	0	110.4	V64 V65 A125 V126 V127 Y131 Y132 F133 A140 A144	V64-V129 HydrophobicContact CG1-CG2 4.48Å; V65-V129 HydrophobicContact CG2-CG1 4Å; V65-V129 HydrophobicContact CG2-CG2 4.23Å; A125-V129 PolarHBondContact O-N 3.22Å; V126-V129 WeakPolarHBondContact O-CB 3.28Å; V126-V129 PolarHBondContact O-N 3.39Å; V127-V129 VanDerWaalsContact C-N 3.29Å; V127-V129 PolarHBondContact O-N 3.02Å; V129-Y131 PolarHBondContact O-N 3.22Å; V129-Y132 PolarHBondContact O-N 3.01Å; V129-F133 HydrophobicContact CG1-CD2 4.35Å; V129-F133 PolarHBondContact O-N 2.84Å; V129-A140 HydrophobicContact CG1-CB 3.71Å; V129-A144 HydrophobicContact CG2-CB 3.93Å
130	G	88.1	Confident	88.5	Confident	2 Å²	2	39.9 Å²	39.9	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-61.8	-28.9	175.6	0	0	0	0	0	113.6	V126 V127 F128 F133 R336	V126-G130 PolarHBondContact O-N 3.21Å; V127-G130 WeakPolarHBondContact O-CA 3.35Å; V127-G130 PolarHBondContact O-N 3.32Å; V127-G130 VanDerWaalsContact O-N 3.07Å; F128-G130 VanDerWaalsContact C-N 3.3Å; F128-G130 PolarHBondContact O-N 2.98Å; G130-F133 VanDerWaalsContact O-O 3.09Å; G130-R336 VanDerWaalsContact O-CZ 3.23Å; G130-R336 PolarHBondContact O-NH1 2.87Å; G130-R336 PolarHBondContact O-NH2 2.76Å
131	Y	87	Confident	88.9	Confident	44 Å²	44	34.8 Å²	34.8	17%	0.173	17%	0.17	C	C	.	.	H	α-helix	trans	-71	-42	175.4	-103	-78.2	0	0	0	114	V127 F128 V129 L192 N331 R332 P333 I339	V127-Y131 HydrophobicContact CG1-CD2 4.18Å; V127-Y131 HydrophobicContact CG1-CE2 4.27Å; V127-Y131 PolarHBondContact O-N 3.33Å; V127-Y131 VanDerWaalsContact O-N 3.14Å; F128-Y131 WeakPolarHBondContact O-CB 3.39Å; F128-Y131 PolarHBondContact O-N 3.15Å; V129-Y131 PolarHBondContact O-N 3.22Å; Y131-L192 HydrophobicContact CD1-CD1 4.21Å; Y131-N331 PolarHBondContact OH-O 2.77Å; Y131-R332 PolarHBondContact OH-O 2.59Å; Y131-P333 VanDerWaalsContact CE2-CA 3.41Å; Y131-P333 HydrophobicContact CE2-CB 3.5Å; Y131-P333 VanDerWaalsContact CE2-CB 3.5Å; Y131-P333 HydrophobicContact CE2-CG 3.56Å; Y131-P333 VanDerWaalsContact CZ-CA 3.5Å; Y131-P333 WeakPolarHBondContact OH-CA 3.37Å; Y131-P333 WeakPolarHBondContact OH-CD 3.24Å; Y131-P333 VanDerWaalsContact OH-CG 3.29Å; Y131-P333 WeakPolarHBondContact OH-CG 3.32Å; Y131-I339 HydrophobicContact CD2-CD1 3.79Å; Y131-I339 HydrophobicContact CE2-CD1 4.05Å; Y131-I339 HydrophobicContact CG-CD1 4.47Å
132	Y	90.4	Very high	88.9	Confident	14 Å²	14	34.5 Å²	34.5	6%	0.055	18%	0.176	C	C	.	.	H	α-helix	trans	-82.5	-18.6	-174.7	-86	-96.6	0	0	0	113.2	P56 D57 W60 V64 F128 V129 R190 L192	P56-Y132 WeakPolarHBondContact CD-O 3.4Å; P56-Y132 HydrophobicContact CG-CD1 3.58Å; P56-Y132 HydrophobicContact CG-CE1 4.22Å; P56-Y132 HydrophobicContact CG-CG 4.37Å; D57-Y132 PolarHBondContact N-O 3.16Å; W60-Y132 HydrophobicContact CB-CE1 4.27Å; V64-Y132 HydrophobicContact CB-CD2 4.42Å; V64-Y132 HydrophobicContact CG1-CD2 4.31Å; V64-Y132 HydrophobicContact CG2-CD2 4Å; V64-Y132 HydrophobicContact CG2-CE1 4.48Å; V64-Y132 HydrophobicContact CG2-CE2 3.78Å; V64-Y132 HydrophobicContact CG2-CG 4.43Å; F128-Y132 HydrophobicContact CD1-CE2 4.32Å; F128-Y132 WeakPolarHBondContact O-CD2 3.42Å; F128-Y132 PolarHBondContact O-N 3.37Å; V129-Y132 PolarHBondContact O-N 3.01Å; Y132-R190 WeakPolarHBondContact CE2-O 3.44Å; Y132-R190 PolarHBondContact OH-O 3.44Å; Y132-L192 HydrophobicContact CD1-CD2 4.09Å; Y132-L192 HydrophobicContact CE1-CD2 3.63Å; Y132-L192 HydrophobicContact CE2-CD2 4.14Å; Y132-L192 HydrophobicContact CE2-CG 4.4Å
133	F	91.3	Very high	89.2	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.			trans	-131.3	131.7	-175.7	-64.2	-85.2	0	0	0	113.1	D57 G61 W62 V65 V129 G130 K136 R137 A140	D57-F133 WeakPolarHBondContact OD1-CA 3.41Å; G61-F133 VanDerWaalsContact C-CE2 3.46Å; G61-F133 WeakPolarHBondContact O-CE2 3.44Å; W62-F133 HydrophobicContact CD2-CE1 4.35Å; W62-F133 AromaticContact CD2-CZ 3.82Å; W62-F133 HydrophobicContact CD2-CZ 3.82Å; W62-F133 AromaticContact CE2-CE1 3.91Å; W62-F133 AromaticContact CE2-CZ 3.87Å; W62-F133 HydrophobicContact CE3-CZ 4.11Å; W62-F133 HydrophobicContact CG-CZ 4.2Å; W62-F133 HydrophobicContact CH2-CE1 4.37Å; W62-F133 HydrophobicContact CH2-CZ 4.49Å; W62-F133 AromaticContact CZ2-CE1 3.94Å; W62-F133 HydrophobicContact CZ2-CE1 3.94Å; W62-F133 HydrophobicContact CZ2-CZ 4.22Å; W62-F133 HydrophobicContact CZ3-CZ 4.43Å; V65-F133 HydrophobicContact CG2-CD2 4.17Å; V65-F133 HydrophobicContact CG2-CE2 3.51Å; V65-F133 HydrophobicContact CG2-CZ 4.23Å; V129-F133 HydrophobicContact CG1-CD2 4.35Å; V129-F133 PolarHBondContact O-N 2.84Å; G130-F133 VanDerWaalsContact O-O 3.09Å; F133-K136 HydrophobicContact CD1-CB 3.97Å; F133-R137 HydrophobicContact CB-CB 4.43Å; F133-R137 WeakPolarHBondContact O-CB 3.37Å; F133-R137 PolarHBondContact O-NE 3.17Å; F133-R137 VanDerWaalsContact O-NE 3.13Å; F133-A140 HydrophobicContact CB-CB 4.03Å; F133-A140 HydrophobicContact CD1-CB 4.08Å; F133-A140 HydrophobicContact CD2-CB 3.47Å; F133-A140 VanDerWaalsContact CD2-CB 3.47Å; F133-A140 HydrophobicContact CE1-CB 4.41Å; F133-A140 HydrophobicContact CE2-CB 3.86Å; F133-A140 HydrophobicContact CG-CB 3.58Å; F133-A140 HydrophobicContact CZ-CB 4.3Å
134	E	87.9	Confident	89.5	Confident	9 Å²	9	34.6 Å²	34.6	4%	0.042	18%	0.179	C	C	.	.	S	Bend	trans	-116.6	-61.7	169.4	-84	176.4	-174.1	0	0	110	A55 D57 K136 R137 I345 F358 R362	A55-E134 HydrophobicContact CB-CB 4.09Å; A55-E134 HydrophobicContact CB-CG 3.73Å; D57-E134 PolarHBondContact OD1-N 3.18Å; E134-K136 VanDerWaalsContact C-N 3.32Å; E134-K136 PolarHBondContact O-N 3.14Å; E134-R137 WeakPolarHBondContact O-CB 3.38Å; E134-R137 PolarHBondContact O-N 3.34Å; E134-I345 HydrophobicContact CB-CD1 4Å; E134-I345 HydrophobicContact CG-CD1 4.22Å; E134-I345 VanDerWaalsContact O-CD1 3.23Å; E134-I345 WeakPolarHBondContact O-CD1 3.44Å; E134-F358 HydrophobicContact CB-CD1 4.31Å; E134-F358 HydrophobicContact CB-CE1 4.38Å; E134-R362 IonicContact OE1-CZ 2.77Å; E134-R362 IonicContact OE1-NE 3.96Å; E134-R362 PolarHBondContact OE1-NE 2.83Å; E134-R362 IonicContact OE1-NH2 3.76Å; E134-R362 PolarHBondContact OE1-NH2 3.34Å; E134-R362 IonicContact OE2-CZ 3.6Å; E134-R362 IonicContact OE2-NE 2.73Å; E134-R362 PolarHBondContact OE2-NE 3.35Å; E134-R362 IonicContact OE2-NH2 3.62Å; E134-R362 PolarHBondContact OE2-NH2 3.12Å
135	R	87.9	Confident	89.5	Confident	153 Å²	153	34 Å²	34	58%	0.577	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-38.5	-178.2	-64.8	176.2	-178.3	-95.6	5.6	111.9	D57 F358	D57-R135 PolarHBondContact OD1-N 3.15Å; D57-R135 WeakPolarHBondContact OD2-CB 3.45Å; D57-R135 WeakPolarHBondContact OD2-CG 3.31Å; D57-R135 PolarHBondContact OD2-N 3.09Å; R135-F358 HydrophobicContact CB-CE1 4.43Å; R135-F358 HydrophobicContact CB-CZ 4.38Å; R135-F358 HydrophobicContact CG-CD1 4.12Å; R135-F358 HydrophobicContact CG-CE1 3.59Å; R135-F358 HydrophobicContact CG-CE2 4.04Å; R135-F358 HydrophobicContact CG-CZ 3.55Å
136	K	88.4	Confident	89.4	Confident	94 Å²	94	34.8 Å²	34.8	41%	0.409	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	17.8	179.8	-60.8	175.2	-175.2	163.7	0	112.8	D57 W62 F133 E134 A138 I139 A140	D57-K136 PolarHBondContact OD1-N 2.97Å; D57-K136 VanDerWaalsContact OD1-N 3.08Å; W62-K136 HydrophobicContact CZ2-CD 4.31Å; F133-K136 HydrophobicContact CD1-CB 3.97Å; E134-K136 VanDerWaalsContact C-N 3.32Å; E134-K136 PolarHBondContact O-N 3.14Å; K136-A138 VanDerWaalsContact C-N 3.34Å; K136-A138 PolarHBondContact O-N 3.25Å; K136-I139 PolarHBondContact O-N 3.11Å; K136-I139 VanDerWaalsContact O-N 3.13Å; K136-A140 WeakPolarHBondContact O-CB 3.31Å; K136-A140 PolarHBondContact O-N 2.76Å
137	R	89.7	Confident	89.5	Confident	1 Å²	1	33.2 Å²	33.2	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-55.1	-46.3	-172.8	-168.9	-176.1	-63.8	165.1	4.6	113	F133 E134 I139 A140 T141 D338 Y341 I345	F133-R137 HydrophobicContact CB-CB 4.43Å; F133-R137 WeakPolarHBondContact O-CB 3.37Å; F133-R137 PolarHBondContact O-NE 3.17Å; F133-R137 VanDerWaalsContact O-NE 3.13Å; E134-R137 WeakPolarHBondContact O-CB 3.38Å; E134-R137 PolarHBondContact O-N 3.34Å; R137-I139 VanDerWaalsContact C-N 3.35Å; R137-I139 PolarHBondContact O-N 2.92Å; R137-A140 PolarHBondContact O-N 3.02Å; R137-T141 VanDerWaalsContact O-CB 3.28Å; R137-T141 WeakPolarHBondContact O-CB 3.23Å; R137-T141 PolarHBondContact O-N 3.36Å; R137-T141 PolarHBondContact O-OG1 3.04Å; R137-D338 IonicContact CZ-OD1 3.48Å; R137-D338 IonicContact CZ-OD2 3.56Å; R137-D338 VanDerWaalsContact CZ-OD2 3.3Å; R137-D338 PolarHBondContact NH1-O 2.97Å; R137-D338 VanDerWaalsContact NH1-O 3.16Å; R137-D338 IonicContact NH1-OD1 3.46Å; R137-D338 IonicContact NH1-OD2 2.76Å; R137-D338 PolarHBondContact NH1-OD2 3.42Å; R137-D338 IonicContact NH2-OD1 3.54Å; R137-D338 IonicContact NH2-OD2 2.66Å; R137-D338 PolarHBondContact NH2-OD2 2.96Å; R137-Y341 VanDerWaalsContact CD-O 3.24Å; R137-Y341 WeakPolarHBondContact CD-O 3.36Å; R137-I345 VanDerWaalsContact NH2-CD1 3.26Å
138	A	87.8	Confident	89.6	Confident	26 Å²	26	32.9 Å²	32.9	22%	0.215	17%	0.167	C	C	.	.	H	α-helix	trans	-59.4	-44.5	179.4	0	0	0	0	0	112.4	K136 G142 G342	K136-A138 VanDerWaalsContact C-N 3.34Å; K136-A138 PolarHBondContact O-N 3.25Å; A138-G142 PolarHBondContact O-N 3.24Å; A138-G342 WeakPolarHBondContact CA-O 3.2Å
139	I	89	Confident	89.5	Confident	107 Å²	107	30.4 Å²	30.4	55%	0.549	16%	0.156	S	C	.	.	H	α-helix	trans	-68	-46.3	179.2	-63.1	172.8	0	0	0	110.4	K136 R137 G142 I143	K136-I139 PolarHBondContact O-N 3.11Å; K136-I139 VanDerWaalsContact O-N 3.13Å; R137-I139 VanDerWaalsContact C-N 3.35Å; R137-I139 PolarHBondContact O-N 2.92Å; I139-G142 PolarHBondContact O-N 3.09Å; I139-I143 HydrophobicContact CG2-CD1 3.84Å; I139-I143 VanDerWaalsContact O-CG1 3.32Å; I139-I143 WeakPolarHBondContact O-CG1 3.4Å; I139-I143 PolarHBondContact O-N 2.57Å
140	A	92	Very high	89.5	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.1	-44.5	-180	0	0	0	0	0	111.8	V65 V129 F133 K136 R137 I143 A144	V65-A140 HydrophobicContact CG2-CB 3.85Å; V129-A140 HydrophobicContact CG1-CB 3.71Å; F133-A140 HydrophobicContact CB-CB 4.03Å; F133-A140 HydrophobicContact CD1-CB 4.08Å; F133-A140 HydrophobicContact CD2-CB 3.47Å; F133-A140 VanDerWaalsContact CD2-CB 3.47Å; F133-A140 HydrophobicContact CE1-CB 4.41Å; F133-A140 HydrophobicContact CE2-CB 3.86Å; F133-A140 HydrophobicContact CG-CB 3.58Å; F133-A140 HydrophobicContact CZ-CB 4.3Å; K136-A140 WeakPolarHBondContact O-CB 3.31Å; K136-A140 PolarHBondContact O-N 2.76Å; R137-A140 PolarHBondContact O-N 3.02Å; A140-I143 PolarHBondContact O-N 3.41Å; A140-A144 WeakPolarHBondContact O-CB 3.48Å; A140-A144 PolarHBondContact O-N 3.47Å
141	T	89.7	Confident	89.7	Confident	17 Å²	17	32.6 Å²	32.6	10%	0.104	17%	0.169	C	C	.	.	H	α-helix	trans	-65.7	-44	175.6	-51.6	0	0	0	0	110.4	R137 I143 A144 M145	R137-T141 VanDerWaalsContact O-CB 3.28Å; R137-T141 WeakPolarHBondContact O-CB 3.23Å; R137-T141 PolarHBondContact O-N 3.36Å; R137-T141 PolarHBondContact O-OG1 3.04Å; T141-I143 PolarHBondContact O-N 3.45Å; T141-A144 PolarHBondContact O-N 3.29Å; T141-M145 HydrophobicContact CG2-CG 3.99Å; T141-M145 VanDerWaalsContact O-CB 3.27Å; T141-M145 WeakPolarHBondContact O-CB 3.49Å; T141-M145 WeakPolarHBondContact O-CG 3.47Å; T141-M145 PolarHBondContact O-N 3.23Å
142	G	86.9	Confident	89.9	Confident	37 Å²	37	30.6 Å²	30.6	38%	0.381	16%	0.161	S	C	.	.	H	α-helix	trans	-58.2	-45.2	176.3	0	0	0	0	0	112.8	A138 I139 A146	A138-G142 PolarHBondContact O-N 3.24Å; I139-G142 PolarHBondContact O-N 3.09Å; G142-A146 PolarHBondContact O-N 3.4Å
143	I	91.3	Very high	90	Very high	77 Å²	77	31.7 Å²	31.7	40%	0.395	17%	0.169	S	C	.	.	H	α-helix	trans	-63.8	-50.1	175	-68.3	165.7	0	0	0	110.2	W62 V65 F69 I139 A140 T141 M145 A146	W62-I143 HydrophobicContact CH2-CD1 4.38Å; W62-I143 HydrophobicContact CZ3-CD1 3.86Å; V65-I143 HydrophobicContact CG1-CB 4Å; V65-I143 HydrophobicContact CG1-CG2 3.61Å; F69-I143 VanDerWaalsContact CD2-O 3.32Å; F69-I143 WeakPolarHBondContact CD2-O 3.48Å; I139-I143 HydrophobicContact CG2-CD1 3.84Å; I139-I143 VanDerWaalsContact O-CG1 3.32Å; I139-I143 WeakPolarHBondContact O-CG1 3.4Å; I139-I143 PolarHBondContact O-N 2.57Å; A140-I143 PolarHBondContact O-N 3.41Å; T141-I143 PolarHBondContact O-N 3.45Å; I143-M145 VanDerWaalsContact C-N 3.29Å; I143-M145 PolarHBondContact O-N 3.25Å; I143-A146 WeakPolarHBondContact O-CB 3.49Å; I143-A146 PolarHBondContact O-N 3.48Å; I143-A146 VanDerWaalsContact O-N 3.16Å
144	A	92.1	Very high	90.1	Very high	2 Å²	2	35.1 Å²	35.1	2%	0.017	19%	0.19	C	C	.	.	H	α-helix	trans	-56.8	-43.7	179.3	0	0	0	0	0	112	V65 F69 V129 A140 T141 A146 G147	V65-A144 HydrophobicContact CG1-CB 4.29Å; F69-A144 WeakPolarHBondContact CA-O 3.47Å; V129-A144 HydrophobicContact CG2-CB 3.93Å; A140-A144 WeakPolarHBondContact O-CB 3.48Å; A140-A144 PolarHBondContact O-N 3.47Å; T141-A144 PolarHBondContact O-N 3.29Å; A144-A146 VanDerWaalsContact C-N 3.34Å; A144-A146 PolarHBondContact O-N 3.43Å; A144-G147 PolarHBondContact O-N 3.26Å
145	M	87.7	Confident	90.4	Very high	38 Å²	38	35.1 Å²	35.1	19%	0.187	19%	0.19	C	C	.	.	H	α-helix	trans	-73.9	-20.9	-179	-65.6	-66.2	-68.1	0	0	113.7	Y122 V126 T141 I143 G147 S148	Y122-M145 WeakPolarHBondContact OH-CE 3.23Å; Y122-M145 PolarHBondContact OH-SD 3.43Å; V126-M145 HydrophobicContact CG2-SD 3.91Å; T141-M145 HydrophobicContact CG2-CG 3.99Å; T141-M145 VanDerWaalsContact O-CB 3.27Å; T141-M145 WeakPolarHBondContact O-CB 3.49Å; T141-M145 WeakPolarHBondContact O-CG 3.47Å; T141-M145 PolarHBondContact O-N 3.23Å; I143-M145 VanDerWaalsContact C-N 3.29Å; I143-M145 PolarHBondContact O-N 3.25Å; M145-G147 PolarHBondContact O-N 3.47Å; M145-S148 VanDerWaalsContact O-CB 3.22Å; M145-S148 WeakPolarHBondContact O-CB 3.49Å; M145-S148 PolarHBondContact O-N 3.33Å
146	A	88.9	Confident	90.6	Very high	17 Å²	17	27.9 Å²	27.9	14%	0.14	16%	0.163	C	C	.	.	H	α-helix	trans	-61.8	-21.7	173.1	0	0	0	0	0	112.1	F69 G142 I143 A144 S148 G149 V150 T467	F69-A146 HydrophobicContact CD2-CB 4.48Å; F69-A146 HydrophobicContact CE2-CB 4.19Å; G142-A146 PolarHBondContact O-N 3.4Å; I143-A146 WeakPolarHBondContact O-CB 3.49Å; I143-A146 PolarHBondContact O-N 3.48Å; I143-A146 VanDerWaalsContact O-N 3.16Å; A144-A146 VanDerWaalsContact C-N 3.34Å; A144-A146 PolarHBondContact O-N 3.43Å; A146-S148 PolarHBondContact O-N 3.2Å; A146-G149 PolarHBondContact O-N 3.45Å; A146-V150 PolarHBondContact O-N 3.21Å; A146-T467 HydrophobicContact CB-CG2 4.42Å
147	G	91.5	Very high	90.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-57.5	-36.9	174.4	0	0	0	0	0	112.6	F69 V73 A144 M145 G149 V150 G151	F69-G147 VanDerWaalsContact CE2-N 3.27Å; F69-G147 WeakPolarHBondContact O-CA 3.45Å; V73-G147 VanDerWaalsContact CA-O 3.24Å; V73-G147 WeakPolarHBondContact CA-O 3.24Å; V73-G147 WeakPolarHBondContact CG2-O 3.36Å; V73-G147 PolarHBondContact N-O 3.33Å; A144-G147 PolarHBondContact O-N 3.26Å; M145-G147 PolarHBondContact O-N 3.47Å; G147-G149 VanDerWaalsContact C-N 3.28Å; G147-G149 PolarHBondContact O-N 3.16Å; G147-V150 PolarHBondContact O-N 2.96Å; G147-G151 PolarHBondContact O-N 3.37Å
148	S	90.8	Very high	91.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-53.8	-45.7	172.9	-176.9	0	0	0	0	112.7	D76 M145 A146 G151 A152 R470	D76-S148 WeakPolarHBondContact CB-OG 3.31Å; D76-S148 WeakPolarHBondContact OD2-CB 3.48Å; D76-S148 PolarHBondContact OD2-OG 2.74Å; M145-S148 VanDerWaalsContact O-CB 3.22Å; M145-S148 WeakPolarHBondContact O-CB 3.49Å; M145-S148 PolarHBondContact O-N 3.33Å; A146-S148 PolarHBondContact O-N 3.2Å; S148-G151 PolarHBondContact O-N 3Å; S148-A152 PolarHBondContact O-N 3.37Å; S148-A152 VanDerWaalsContact O-N 3.1Å; S148-R470 PolarHBondContact OG-NH1 3.37Å; S148-R470 PolarHBondContact OG-NH2 2.94Å
149	G	88.5	Confident	91.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-69.2	-46.8	179.5	0	0	0	0	0	112.1	A146 G147 G151 A152 V153 T467	A146-G149 PolarHBondContact O-N 3.45Å; G147-G149 VanDerWaalsContact C-N 3.28Å; G147-G149 PolarHBondContact O-N 3.16Å; G149-G151 VanDerWaalsContact C-N 3.28Å; G149-G151 PolarHBondContact O-N 2.89Å; G149-A152 WeakPolarHBondContact O-CA 3.29Å; G149-A152 WeakPolarHBondContact O-CB 3.1Å; G149-A152 PolarHBondContact O-N 3.33Å; G149-V153 WeakPolarHBondContact O-CG2 3.46Å; G149-V153 PolarHBondContact O-N 3.11Å; G149-V153 VanDerWaalsContact O-N 3.12Å; G149-T467 WeakPolarHBondContact CA-OG1 3.48Å; G149-T467 PolarHBondContact O-OG1 2.61Å
150	V	92.1	Very high	91.6	Very high	49 Å²	49	23.8 Å²	23.8	30%	0.297	15%	0.148	S	C	.	.	H	α-helix	trans	-60.9	-37.5	175	174	0	0	0	0	111.7	F69 V73 A146 G147 A152 V153 V154	F69-V150 HydrophobicContact CE2-CG2 4.15Å; F69-V150 HydrophobicContact CZ-CB 3.92Å; F69-V150 HydrophobicContact CZ-CG1 4.17Å; F69-V150 HydrophobicContact CZ-CG2 3.76Å; V73-V150 HydrophobicContact CG2-CB 4.14Å; V73-V150 HydrophobicContact CG2-CG1 4.18Å; A146-V150 PolarHBondContact O-N 3.21Å; G147-V150 PolarHBondContact O-N 2.96Å; V150-A152 VanDerWaalsContact C-N 3.35Å; V150-A152 PolarHBondContact O-N 2.9Å; V150-V153 WeakPolarHBondContact O-CB 3.31Å; V150-V153 PolarHBondContact O-N 3.42Å; V150-V154 HydrophobicContact CG1-CG2 4.01Å; V150-V154 WeakPolarHBondContact O-CG2 3.49Å; V150-V154 PolarHBondContact O-N 2.87Å
151	G	93.7	Very high	91.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-56.3	-47.3	170.5	0	0	0	0	0	112.1	V73 G77 G147 S148 G149 V153 V154 M155	V73-G151 WeakPolarHBondContact O-CA 3.44Å; G77-G151 WeakPolarHBondContact CA-O 3.3Å; G147-G151 PolarHBondContact O-N 3.37Å; S148-G151 PolarHBondContact O-N 3Å; G149-G151 VanDerWaalsContact C-N 3.28Å; G149-G151 PolarHBondContact O-N 2.89Å; G151-V153 PolarHBondContact O-N 3.11Å; G151-V154 PolarHBondContact O-N 3.29Å; G151-M155 WeakPolarHBondContact O-CB 3.42Å; G151-M155 WeakPolarHBondContact O-CG 3.35Å; G151-M155 PolarHBondContact O-N 3.33Å
152	A	91	Very high	91.9	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.008	17%	0.174	C	C	.	.	H	α-helix	trans	-65.2	-18.3	175.2	0	0	0	0	0	114	F80 S148 G149 V150 P156	F80-A152 HydrophobicContact CB-CB 4.18Å; F80-A152 HydrophobicContact CD2-CB 3.79Å; F80-A152 HydrophobicContact CG-CB 4.3Å; S148-A152 PolarHBondContact O-N 3.37Å; S148-A152 VanDerWaalsContact O-N 3.1Å; G149-A152 WeakPolarHBondContact O-CA 3.29Å; G149-A152 WeakPolarHBondContact O-CB 3.1Å; G149-A152 PolarHBondContact O-N 3.33Å; V150-A152 VanDerWaalsContact C-N 3.35Å; V150-A152 PolarHBondContact O-N 2.9Å; A152-P156 VanDerWaalsContact O-CD 3.22Å; A152-P156 WeakPolarHBondContact O-CD 3.2Å; A152-P156 WeakPolarHBondContact O-CG 3.38Å
153	V	91.9	Very high	92.2	Very high	38 Å²	38	28.8 Å²	28.8	23%	0.23	16%	0.163	C	C	.	.	H	α-helix	trans	-85.1	-48.4	173.9	-175.8	0	0	0	0	111.7	G149 V150 G151 P157 S460 I464	G149-V153 WeakPolarHBondContact O-CG2 3.46Å; G149-V153 PolarHBondContact O-N 3.11Å; G149-V153 VanDerWaalsContact O-N 3.12Å; V150-V153 WeakPolarHBondContact O-CB 3.31Å; V150-V153 PolarHBondContact O-N 3.42Å; G151-V153 PolarHBondContact O-N 3.11Å; V153-P157 VanDerWaalsContact O-CD 3.25Å; V153-P157 WeakPolarHBondContact O-CD 3.28Å; V153-S460 PolarHBondContact O-OG 2.92Å; V153-I464 HydrophobicContact CB-CG1 4.21Å; V153-I464 HydrophobicContact CG1-CD1 4.14Å; V153-I464 HydrophobicContact CG1-CG1 3.7Å; V153-I464 HydrophobicContact CG2-CB 4.15Å; V153-I464 HydrophobicContact CG2-CG1 3.41Å; V153-I464 VanDerWaalsContact CG2-CG1 3.41Å; V153-I464 VanDerWaalsContact CG2-N 3.35Å
154	V	93.7	Very high	92.3	Very high	72 Å²	72	33 Å²	33	44%	0.436	18%	0.181	S	C	.	.	H	α-helix	trans	-86.2	-36.6	-168.9	175.5	0	0	0	0	112.1	V150 G151 P157 L158	V150-V154 HydrophobicContact CG1-CG2 4.01Å; V150-V154 WeakPolarHBondContact O-CG2 3.49Å; V150-V154 PolarHBondContact O-N 2.87Å; G151-V154 PolarHBondContact O-N 3.29Å; V154-P157 WeakPolarHBondContact O-CD 3.45Å; V154-P157 WeakPolarHBondContact O-CG 3.4Å; V154-L158 WeakPolarHBondContact O-CB 3.35Å; V154-L158 PolarHBondContact O-N 2.99Å
155	M	93.8	Very high	92.4	Very high	8 Å²	8	39.7 Å²	39.7	4%	0.039	21%	0.212	C	C	.	.	H	α-helix	trans	-66.9	-41.3	-176.8	-69.7	-62	163.5	0	0	113.3	V73 G77 S81 G151 L158 Y159 F175 L178	V73-M155 HydrophobicContact CG1-CE 4.09Å; G77-M155 WeakPolarHBondContact O-CB 3.25Å; S81-M155 VanDerWaalsContact OG-C 3.3Å; S81-M155 WeakPolarHBondContact OG-CB 3.34Å; G151-M155 WeakPolarHBondContact O-CB 3.42Å; G151-M155 WeakPolarHBondContact O-CG 3.35Å; G151-M155 PolarHBondContact O-N 3.33Å; M155-L158 HydrophobicContact CE-CD2 4.45Å; M155-L158 CarbonylContact O-C 3.54Å; M155-L158 PolarHBondContact O-N 3.25Å; M155-L158 VanDerWaalsContact O-N 3.12Å; M155-L158 HydrophobicContact SD-CD2 3.88Å; M155-Y159 HydrophobicContact CB-CD2 4.14Å; M155-Y159 HydrophobicContact CB-CE2 4.31Å; M155-Y159 WeakPolarHBondContact O-CB 3.19Å; M155-Y159 VanDerWaalsContact O-CD2 3.32Å; M155-Y159 WeakPolarHBondContact O-CD2 3.17Å; M155-Y159 PolarHBondContact O-N 3.08Å; M155-Y159 HydrophobicContact SD-CE2 4.36Å; M155-F175 HydrophobicContact SD-CE1 4.01Å; M155-L178 HydrophobicContact CE-CD2 3.53Å; M155-L178 HydrophobicContact SD-CD2 4.23Å
156	P	93.1	Very high	92.7	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-55.2	-53.4	-179.9	-26.7	34.7	0	0	0	114.3	S81 I84 A152 L158 Y159 A160 L459	S81-P156 WeakPolarHBondContact OG-CD 3.45Å; S81-P156 WeakPolarHBondContact OG-CG 3.45Å; S81-P156 VanDerWaalsContact OG-N 3.13Å; I84-P156 VanDerWaalsContact CD1-CA 3.44Å; I84-P156 HydrophobicContact CD1-CB 3.71Å; I84-P156 WeakPolarHBondContact CD1-O 3.46Å; A152-P156 VanDerWaalsContact O-CD 3.22Å; A152-P156 WeakPolarHBondContact O-CD 3.2Å; A152-P156 WeakPolarHBondContact O-CG 3.38Å; P156-L158 VanDerWaalsContact C-N 3.3Å; P156-L158 PolarHBondContact O-N 3.38Å; P156-Y159 PolarHBondContact O-N 3.29Å; P156-A160 PolarHBondContact O-N 2.93Å; P156-L459 HydrophobicContact CB-CB 3.9Å; P156-L459 HydrophobicContact CG-CB 3.84Å
157	P	93.1	Very high	92.9	Very high	53 Å²	53	47.4 Å²	47.4	34%	0.344	25%	0.245	S	C	.	.	H	α-helix	trans	-65.9	-33.6	176.8	25.8	-33.9	0	0	0	112.1	V153 V154 A160 M161 S460	V153-P157 VanDerWaalsContact O-CD 3.25Å; V153-P157 WeakPolarHBondContact O-CD 3.28Å; V154-P157 WeakPolarHBondContact O-CD 3.45Å; V154-P157 WeakPolarHBondContact O-CG 3.4Å; P157-A160 PolarHBondContact O-N 3.28Å; P157-M161 WeakPolarHBondContact O-CB 3.48Å; P157-M161 WeakPolarHBondContact O-CE 3.32Å; P157-M161 VanDerWaalsContact O-CG 3.26Å; P157-M161 WeakPolarHBondContact O-CG 3.28Å; P157-M161 PolarHBondContact O-N 3.15Å; P157-S460 WeakPolarHBondContact CD-OG 3.13Å
158	L	94.1	Very high	93	Very high	55 Å²	55	49.5 Å²	49.5	29%	0.288	25%	0.253	S	S	.	.	H	α-helix	trans	-63.6	-44.5	175.7	-176.7	61.7	0	0	0	111.8	V154 M155 P156 M161 V162 F175	V154-L158 WeakPolarHBondContact O-CB 3.35Å; V154-L158 PolarHBondContact O-N 2.99Å; M155-L158 HydrophobicContact CE-CD2 4.45Å; M155-L158 CarbonylContact O-C 3.54Å; M155-L158 PolarHBondContact O-N 3.25Å; M155-L158 VanDerWaalsContact O-N 3.12Å; M155-L158 HydrophobicContact SD-CD2 3.88Å; P156-L158 VanDerWaalsContact C-N 3.3Å; P156-L158 PolarHBondContact O-N 3.38Å; L158-M161 HydrophobicContact CD1-CE 4.31Å; L158-V162 HydrophobicContact CD1-CG2 4.02Å; L158-V162 HydrophobicContact CG-CG2 4.45Å; L158-V162 WeakPolarHBondContact O-CB 3.22Å; L158-V162 WeakPolarHBondContact O-CG2 3.36Å; L158-V162 PolarHBondContact O-N 3.48Å; L158-F175 HydrophobicContact CD2-CE1 3.95Å; L158-F175 HydrophobicContact CD2-CZ 4.43Å; L158-F175 HydrophobicContact CG-CE1 4.11Å; L158-F175 HydrophobicContact CG-CZ 4.08Å
159	Y	93.8	Very high	93.2	Very high	13 Å²	13	55 Å²	55	5%	0.051	27%	0.274	C	S	.	.	H	α-helix	trans	-60	-46.9	174.1	-93.7	-100	0	0	0	111.1	A78 M155 P156 V162 I163 M172 F175	A78-Y159 HydrophobicContact CB-CE2 4.39Å; A78-Y159 WeakPolarHBondContact CB-OH 3.37Å; M155-Y159 HydrophobicContact CB-CD2 4.14Å; M155-Y159 HydrophobicContact CB-CE2 4.31Å; M155-Y159 WeakPolarHBondContact O-CB 3.19Å; M155-Y159 VanDerWaalsContact O-CD2 3.32Å; M155-Y159 WeakPolarHBondContact O-CD2 3.17Å; M155-Y159 PolarHBondContact O-N 3.08Å; M155-Y159 HydrophobicContact SD-CE2 4.36Å; P156-Y159 PolarHBondContact O-N 3.29Å; Y159-V162 PolarHBondContact O-N 3.15Å; Y159-I163 HydrophobicContact CD1-CD1 4.29Å; Y159-I163 WeakPolarHBondContact O-CB 3.33Å; Y159-I163 VanDerWaalsContact O-CG1 3.23Å; Y159-I163 WeakPolarHBondContact O-CG1 3.45Å; Y159-I163 PolarHBondContact O-N 3.43Å; Y159-M172 HydrophobicContact CE1-CE 4.12Å; Y159-F175 HydrophobicContact CD1-CD2 4.06Å; Y159-F175 AromaticContact CD1-CE2 3.46Å; Y159-F175 HydrophobicContact CD1-CE2 3.46Å; Y159-F175 VanDerWaalsContact CD1-CE2 3.46Å; Y159-F175 AromaticContact CD1-CZ 3.92Å; Y159-F175 HydrophobicContact CD1-CZ 3.92Å; Y159-F175 HydrophobicContact CD2-CD1 4.38Å; Y159-F175 HydrophobicContact CD2-CD2 4.4Å; Y159-F175 AromaticContact CD2-CE1 3.57Å; Y159-F175 HydrophobicContact CD2-CE1 3.57Å; Y159-F175 AromaticContact CD2-CE2 3.6Å; Y159-F175 HydrophobicContact CD2-CE2 3.6Å; Y159-F175 AromaticContact CD2-CZ 3.13Å; Y159-F175 HydrophobicContact CD2-CZ 3.13Å; Y159-F175 AromaticContact CE1-CD2 3.58Å; Y159-F175 HydrophobicContact CE1-CD2 3.58Å; Y159-F175 AromaticContact CE1-CE2 3.47Å; Y159-F175 HydrophobicContact CE1-CE2 3.47Å; Y159-F175 VanDerWaalsContact CE1-CE2 3.47Å; Y159-F175 HydrophobicContact CE1-CG 4.26Å; Y159-F175 HydrophobicContact CE1-CZ 4.04Å; Y159-F175 AromaticContact CE2-CD1 3.69Å; Y159-F175 HydrophobicContact CE2-CD1 3.69Å; Y159-F175 AromaticContact CE2-CD2 3.97Å; Y159-F175 HydrophobicContact CE2-CD2 3.97Å; Y159-F175 AromaticContact CE2-CE1 3.29Å; Y159-F175 HydrophobicContact CE2-CE1 3.29Å; Y159-F175 AromaticContact CE2-CE2 3.62Å; Y159-F175 HydrophobicContact CE2-CE2 3.62Å; Y159-F175 HydrophobicContact CE2-CG 4.04Å; Y159-F175 AromaticContact CE2-CZ 3.28Å; Y159-F175 HydrophobicContact CE2-CZ 3.28Å; Y159-F175 HydrophobicContact CG-CD2 4.44Å; Y159-F175 HydrophobicContact CG-CE1 4.33Å; Y159-F175 AromaticContact CG-CE2 3.52Å; Y159-F175 HydrophobicContact CG-CE2 3.52Å; Y159-F175 AromaticContact CG-CZ 3.47Å; Y159-F175 HydrophobicContact CG-CZ 3.47Å; Y159-F175 VanDerWaalsContact CG-CZ 3.47Å; Y159-F175 AromaticContact CZ-CD1 3.86Å; Y159-F175 AromaticContact CZ-CD2 3.51Å; Y159-F175 AromaticContact CZ-CE1 3.87Å; Y159-F175 AromaticContact CZ-CE2 3.54Å; Y159-F175 AromaticContact CZ-CG 3.72Å; Y159-F175 AromaticContact CZ-CZ 3.73Å
160	A	93.1	Very high	93.5	Very high	22 Å²	22	55.8 Å²	55.8	18%	0.182	28%	0.282	C	S	.	.	H	α-helix	trans	-58.5	-51.9	178.6	0	0	0	0	0	111.8	I84 P156 P157 V162 I163 E164 N456	I84-A160 HydrophobicContact CG2-CB 4.47Å; P156-A160 PolarHBondContact O-N 2.93Å; P157-A160 PolarHBondContact O-N 3.28Å; A160-V162 VanDerWaalsContact C-N 3.34Å; A160-V162 PolarHBondContact O-N 2.95Å; A160-I163 PolarHBondContact O-N 3.17Å; A160-E164 WeakPolarHBondContact O-CB 3.44Å; A160-E164 PolarHBondContact O-N 2.79Å; A160-N456 WeakPolarHBondContact CB-ND2 3.27Å
161	M	93.9	Very high	93.6	Very high	115 Å²	115	53.4 Å²	53.4	57%	0.567	27%	0.268	S	S	*	.	H	α-helix	trans	-60.5	-41.3	179.8	-71	-176.9	-62.3	0	0	112.5	P157 L158 E165	P157-M161 WeakPolarHBondContact O-CB 3.48Å; P157-M161 WeakPolarHBondContact O-CE 3.32Å; P157-M161 VanDerWaalsContact O-CG 3.26Å; P157-M161 WeakPolarHBondContact O-CG 3.28Å; P157-M161 PolarHBondContact O-N 3.15Å; L158-M161 HydrophobicContact CD1-CE 4.31Å; M161-E165 PolarHBondContact O-N 2.73Å
162	V	95	Very high	93.5	Very high	15 Å²	15	56.6 Å²	56.6	9%	0.091	28%	0.283	C	S	.	.	H	α-helix	trans	-75.7	-36.9	-176.8	178.3	0	0	0	0	111.6	L158 Y159 A160 Y166 A171 I174	L158-V162 HydrophobicContact CD1-CG2 4.02Å; L158-V162 HydrophobicContact CG-CG2 4.45Å; L158-V162 WeakPolarHBondContact O-CB 3.22Å; L158-V162 WeakPolarHBondContact O-CG2 3.36Å; L158-V162 PolarHBondContact O-N 3.48Å; Y159-V162 PolarHBondContact O-N 3.15Å; A160-V162 VanDerWaalsContact C-N 3.34Å; A160-V162 PolarHBondContact O-N 2.95Å; V162-Y166 HydrophobicContact CG1-CD2 4.15Å; V162-Y166 WeakPolarHBondContact O-CB 3.4Å; V162-Y166 PolarHBondContact O-N 3.27Å; V162-A171 HydrophobicContact CB-CB 4.43Å; V162-A171 HydrophobicContact CG1-CB 3.73Å; V162-I174 HydrophobicContact CG1-CB 4.2Å; V162-I174 HydrophobicContact CG1-CD1 3.54Å; V162-I174 HydrophobicContact CG1-CG1 4.45Å; V162-I174 HydrophobicContact CG1-CG2 4.34Å
163	I	93.6	Very high	93.7	Very high	28 Å²	28	62.7 Å²	62.7	14%	0.144	32%	0.315	C	S	.	.	H	α-helix	trans	-67.7	-39.6	176	-70.7	170.6	0	0	0	110.6	I84 L85 A88 Y159 A160 T167 A171	I84-I163 HydrophobicContact CG2-CD1 4.12Å; L85-I163 HydrophobicContact CD1-CD1 4.03Å; A88-I163 HydrophobicContact CB-CG2 4.44Å; Y159-I163 HydrophobicContact CD1-CD1 4.29Å; Y159-I163 WeakPolarHBondContact O-CB 3.33Å; Y159-I163 VanDerWaalsContact O-CG1 3.23Å; Y159-I163 WeakPolarHBondContact O-CG1 3.45Å; Y159-I163 PolarHBondContact O-N 3.43Å; A160-I163 PolarHBondContact O-N 3.17Å; I163-T167 WeakPolarHBondContact O-CA 3.2Å; I163-T167 PolarHBondContact O-N 3.2Å; I163-A171 HydrophobicContact CG1-CB 3.56Å
164	E	92.3	Very high	93.9	Very high	165 Å²	165	63.9 Å²	63.9	77%	0.771	32%	0.32	S	S	*	.	H	α-helix	trans	-61.3	-44.7	177.8	-172.9	172	-170.9	0	0	111.6	A160	A160-E164 WeakPolarHBondContact O-CB 3.44Å; A160-E164 PolarHBondContact O-N 2.79Å
165	E	94.3	Very high	93.8	Very high	143 Å²	143	60.8 Å²	60.8	67%	0.668	30%	0.3	S	S	*	.	H	α-helix	trans	-82.4	-41.9	-177	-170.7	64.7	-156.7	0	0	113.4	M161	M161-E165 PolarHBondContact O-N 2.73Å
166	Y	94.5	Very high	93.8	Very high	135 Å²	135	62.9 Å²	62.9	53%	0.529	32%	0.319	S	S	.	.	H	α-helix	trans	-113.8	6.5	-168.8	-64.7	-76.2	0	0	0	114.4	V162 G170 I174	V162-Y166 HydrophobicContact CG1-CD2 4.15Å; V162-Y166 WeakPolarHBondContact O-CB 3.4Å; V162-Y166 PolarHBondContact O-N 3.27Å; Y166-G170 WeakPolarHBondContact O-CA 3.35Å; Y166-G170 PolarHBondContact O-N 2.86Å; Y166-I174 HydrophobicContact CD2-CD1 3.61Å; Y166-I174 HydrophobicContact CE2-CD1 3.96Å; Y166-I174 HydrophobicContact CG-CD1 3.99Å
167	T	94.1	Very high	93.8	Very high	82 Å²	82	65.8 Å²	65.8	50%	0.503	34%	0.34	S	S	.	.	H	α-helix	trans	60.6	173.6	-168.5	77.9	0	0	0	0	112.8	I163 R169 G170 A171	I163-T167 WeakPolarHBondContact O-CA 3.2Å; I163-T167 PolarHBondContact O-N 3.2Å; T167-R169 PolarHBondContact O-N 3.42Å; T167-R169 PolarHBondContact OG1-N 2.76Å; T167-G170 PolarHBondContact O-N 2.99Å; T167-A171 WeakPolarHBondContact O-CB 3.24Å; T167-A171 PolarHBondContact O-N 3.33Å
168	W	93.3	Very high	93.8	Very high	44 Å²	44	65.6 Å²	65.6	17%	0.167	34%	0.335	C	S	.	.	H	α-helix	trans	-58.9	-33.1	177.3	73.3	-97.8	0	0	0	113.1	L85 A88 L89 Y92 F93 A171 M172	L85-W168 HydrophobicContact CD1-CB 3.8Å; A88-W168 HydrophobicContact CB-CB 4.35Å; L89-W168 HydrophobicContact CD2-CD2 4.15Å; L89-W168 HydrophobicContact CD2-CE3 4.04Å; L89-W168 HydrophobicContact CD2-CZ3 4.35Å; Y92-W168 AromaticContact CD1-CE2 3.9Å; Y92-W168 AromaticContact CD1-CZ2 3.71Å; Y92-W168 HydrophobicContact CD1-CZ2 3.71Å; Y92-W168 AromaticContact CD1-NE1 3.56Å; Y92-W168 AromaticContact CD2-NE1 3.37Å; Y92-W168 AromaticContact CE1-CZ2 3.88Å; Y92-W168 HydrophobicContact CE1-CZ2 3.88Å; Y92-W168 AromaticContact CG-CE2 3.96Å; Y92-W168 HydrophobicContact CG-CZ2 4.25Å; Y92-W168 AromaticContact CG-NE1 3.14Å; F93-W168 AromaticContact CE2-CH2 3.88Å; F93-W168 HydrophobicContact CE2-CH2 3.88Å; F93-W168 AromaticContact CE2-CZ2 3.71Å; F93-W168 HydrophobicContact CE2-CZ2 3.71Å; F93-W168 AromaticContact CZ-CH2 3.84Å; F93-W168 HydrophobicContact CZ-CH2 3.84Å; F93-W168 AromaticContact CZ-CZ2 3.78Å; F93-W168 HydrophobicContact CZ-CZ2 3.78Å; W168-A171 PolarHBondContact O-N 3.43Å; W168-M172 HydrophobicContact CE3-CG 4.2Å; W168-M172 WeakPolarHBondContact O-CG 3.46Å; W168-M172 PolarHBondContact O-N 3.35Å
169	R	94.8	Very high	93.7	Very high	116 Å²	116	65.8 Å²	65.8	44%	0.438	33%	0.334	S	S	.	.	H	α-helix	trans	-69	-48	-179.5	-71.7	-169.1	170.3	104.1	-1	112.3	Y92 T167 A171 M172 L173	Y92-R169 VanDerWaalsContact CE1-NH2 3.29Å; Y92-R169 VanDerWaalsContact CZ-CZ 3.48Å; Y92-R169 VanDerWaalsContact OH-CZ 3.31Å; Y92-R169 PolarHBondContact OH-NH1 3.35Å; Y92-R169 PolarHBondContact OH-NH2 3.32Å; T167-R169 PolarHBondContact O-N 3.42Å; T167-R169 PolarHBondContact OG1-N 2.76Å; R169-A171 VanDerWaalsContact C-N 3.27Å; R169-A171 PolarHBondContact O-N 3.45Å; R169-M172 PolarHBondContact O-N 3.03Å; R169-L173 PolarHBondContact O-N 2.96Å
170	G	94.1	Very high	93.7	Very high	16 Å²	16	71.3 Å²	71.3	17%	0.165	36%	0.364	C	S	.	.	H	α-helix	trans	-65	-37.2	176.4	0	0	0	0	0	111.1	Y166 T167 M172 L173 I174	Y166-G170 WeakPolarHBondContact O-CA 3.35Å; Y166-G170 PolarHBondContact O-N 2.86Å; T167-G170 PolarHBondContact O-N 2.99Å; G170-M172 PolarHBondContact O-N 2.96Å; G170-L173 PolarHBondContact O-N 3.07Å; G170-I174 WeakPolarHBondContact O-CG1 3.28Å; G170-I174 PolarHBondContact O-N 3.14Å
171	A	93.8	Very high	93.7	Very high	0 Å²	0	75.1 Å²	75.1	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-57.1	-47.8	171.7	0	0	0	0	0	112.7	V162 I163 T167 W168 R169 L173 I174 F175	V162-A171 HydrophobicContact CB-CB 4.43Å; V162-A171 HydrophobicContact CG1-CB 3.73Å; I163-A171 HydrophobicContact CG1-CB 3.56Å; T167-A171 WeakPolarHBondContact O-CB 3.24Å; T167-A171 PolarHBondContact O-N 3.33Å; W168-A171 PolarHBondContact O-N 3.43Å; R169-A171 VanDerWaalsContact C-N 3.27Å; R169-A171 PolarHBondContact O-N 3.45Å; A171-L173 VanDerWaalsContact C-N 3.3Å; A171-L173 PolarHBondContact O-N 3.4Å; A171-I174 PolarHBondContact O-N 3.23Å; A171-F175 HydrophobicContact CB-CD2 4.32Å; A171-F175 HydrophobicContact CB-CE2 4.26Å; A171-F175 WeakPolarHBondContact O-CD2 3.31Å; A171-F175 PolarHBondContact O-N 3.16Å
172	M	92.9	Very high	93.6	Very high	66 Å²	66	70.1 Å²	70.1	33%	0.325	35%	0.354	S	S	.	.	H	α-helix	trans	-59.8	-39	177.6	-69.5	-55.8	96.6	0	0	112.8	L85 Y159 W168 R169 G170 F175 A176	L85-M172 HydrophobicContact CD1-CE 3.85Å; L85-M172 HydrophobicContact CD2-CE 3.54Å; L85-M172 HydrophobicContact CD2-SD 3.91Å; L85-M172 HydrophobicContact CG-CE 4.31Å; Y159-M172 HydrophobicContact CE1-CE 4.12Å; W168-M172 HydrophobicContact CE3-CG 4.2Å; W168-M172 WeakPolarHBondContact O-CG 3.46Å; W168-M172 PolarHBondContact O-N 3.35Å; R169-M172 PolarHBondContact O-N 3.03Å; G170-M172 PolarHBondContact O-N 2.96Å; M172-F175 HydrophobicContact CE-CD2 4.4Å; M172-A176 VanDerWaalsContact O-CB 3.27Å; M172-A176 WeakPolarHBondContact O-CB 3.31Å; M172-A176 PolarHBondContact O-N 3.23Å
173	L	95.1	Very high	93.5	Very high	130 Å²	130	72.8 Å²	72.8	68%	0.681	38%	0.378	S	S	*	.	H	α-helix	trans	-66.7	-43.1	176.4	-69.4	173.3	0	0	0	112.2	R169 G170 A171 A176 S177	R169-L173 PolarHBondContact O-N 2.96Å; G170-L173 PolarHBondContact O-N 3.07Å; A171-L173 VanDerWaalsContact C-N 3.3Å; A171-L173 PolarHBondContact O-N 3.4Å; L173-A176 PolarHBondContact O-N 3.05Å; L173-S177 PolarHBondContact O-N 2.94Å
174	I	95.5	Very high	93.6	Very high	62 Å²	62	75.4 Å²	75.4	32%	0.318	40%	0.395	S	S	.	.	H	α-helix	trans	-65.1	-45.2	178.2	-69.7	165.4	0	0	0	110.2	V162 Y166 G170 A171 S177 L178	V162-I174 HydrophobicContact CG1-CB 4.2Å; V162-I174 HydrophobicContact CG1-CD1 3.54Å; V162-I174 HydrophobicContact CG1-CG1 4.45Å; V162-I174 HydrophobicContact CG1-CG2 4.34Å; Y166-I174 HydrophobicContact CD2-CD1 3.61Å; Y166-I174 HydrophobicContact CE2-CD1 3.96Å; Y166-I174 HydrophobicContact CG-CD1 3.99Å; G170-I174 WeakPolarHBondContact O-CG1 3.28Å; G170-I174 PolarHBondContact O-N 3.14Å; A171-I174 PolarHBondContact O-N 3.23Å; I174-S177 WeakPolarHBondContact O-CB 3.46Å; I174-S177 PolarHBondContact O-N 3.13Å; I174-S177 VanDerWaalsContact O-N 3.15Å; I174-S177 PolarHBondContact O-OG 3.2Å; I174-L178 PolarHBondContact O-N 3.21Å
175	F	92.4	Very high	93.7	Very high	7 Å²	7	68.5 Å²	68.5	3%	0.031	36%	0.363	C	S	.	.	H	α-helix	trans	-66	-39.4	176.1	-73.6	-63	0	0	0	112	M155 L158 Y159 A171 M172 S177 L178 F179	M155-F175 HydrophobicContact SD-CE1 4.01Å; L158-F175 HydrophobicContact CD2-CE1 3.95Å; L158-F175 HydrophobicContact CD2-CZ 4.43Å; L158-F175 HydrophobicContact CG-CE1 4.11Å; L158-F175 HydrophobicContact CG-CZ 4.08Å; Y159-F175 HydrophobicContact CD1-CD2 4.06Å; Y159-F175 AromaticContact CD1-CE2 3.46Å; Y159-F175 HydrophobicContact CD1-CE2 3.46Å; Y159-F175 VanDerWaalsContact CD1-CE2 3.46Å; Y159-F175 AromaticContact CD1-CZ 3.92Å; Y159-F175 HydrophobicContact CD1-CZ 3.92Å; Y159-F175 HydrophobicContact CD2-CD1 4.38Å; Y159-F175 HydrophobicContact CD2-CD2 4.4Å; Y159-F175 AromaticContact CD2-CE1 3.57Å; Y159-F175 HydrophobicContact CD2-CE1 3.57Å; Y159-F175 AromaticContact CD2-CE2 3.6Å; Y159-F175 HydrophobicContact CD2-CE2 3.6Å; Y159-F175 AromaticContact CD2-CZ 3.13Å; Y159-F175 HydrophobicContact CD2-CZ 3.13Å; Y159-F175 AromaticContact CE1-CD2 3.58Å; Y159-F175 HydrophobicContact CE1-CD2 3.58Å; Y159-F175 AromaticContact CE1-CE2 3.47Å; Y159-F175 HydrophobicContact CE1-CE2 3.47Å; Y159-F175 VanDerWaalsContact CE1-CE2 3.47Å; Y159-F175 HydrophobicContact CE1-CG 4.26Å; Y159-F175 HydrophobicContact CE1-CZ 4.04Å; Y159-F175 AromaticContact CE2-CD1 3.69Å; Y159-F175 HydrophobicContact CE2-CD1 3.69Å; Y159-F175 AromaticContact CE2-CD2 3.97Å; Y159-F175 HydrophobicContact CE2-CD2 3.97Å; Y159-F175 AromaticContact CE2-CE1 3.29Å; Y159-F175 HydrophobicContact CE2-CE1 3.29Å; Y159-F175 AromaticContact CE2-CE2 3.62Å; Y159-F175 HydrophobicContact CE2-CE2 3.62Å; Y159-F175 HydrophobicContact CE2-CG 4.04Å; Y159-F175 AromaticContact CE2-CZ 3.28Å; Y159-F175 HydrophobicContact CE2-CZ 3.28Å; Y159-F175 HydrophobicContact CG-CD2 4.44Å; Y159-F175 HydrophobicContact CG-CE1 4.33Å; Y159-F175 AromaticContact CG-CE2 3.52Å; Y159-F175 HydrophobicContact CG-CE2 3.52Å; Y159-F175 AromaticContact CG-CZ 3.47Å; Y159-F175 HydrophobicContact CG-CZ 3.47Å; Y159-F175 VanDerWaalsContact CG-CZ 3.47Å; Y159-F175 AromaticContact CZ-CD1 3.86Å; Y159-F175 AromaticContact CZ-CD2 3.51Å; Y159-F175 AromaticContact CZ-CE1 3.87Å; Y159-F175 AromaticContact CZ-CE2 3.54Å; Y159-F175 AromaticContact CZ-CG 3.72Å; Y159-F175 AromaticContact CZ-CZ 3.73Å; A171-F175 HydrophobicContact CB-CD2 4.32Å; A171-F175 HydrophobicContact CB-CE2 4.26Å; A171-F175 WeakPolarHBondContact O-CD2 3.31Å; A171-F175 PolarHBondContact O-N 3.16Å; M172-F175 HydrophobicContact CE-CD2 4.4Å; F175-S177 PolarHBondContact O-N 2.75Å; F175-L178 HydrophobicContact CD1-CD2 4.15Å; F175-L178 HydrophobicContact CE1-CD2 4.49Å; F175-L178 CarbonylContact O-C 3.52Å; F175-L178 WeakPolarHBondContact O-CA 3.43Å; F175-L178 VanDerWaalsContact O-CB 3.31Å; F175-L178 WeakPolarHBondContact O-CB 3.17Å; F175-L178 PolarHBondContact O-N 2.97Å; F175-F179 VanDerWaalsContact O-CD2 3.24Å; F175-F179 WeakPolarHBondContact O-CD2 3.33Å; F175-F179 PolarHBondContact O-N 2.65Å
176	A	92.8	Very high	93.6	Very high	53 Å²	53	63.2 Å²	63.2	44%	0.438	35%	0.347	S	S	.	.	H	α-helix	trans	-56.5	-39.8	171.9	0	0	0	0	0	112	M172 L173 L178 F179 L180	M172-A176 VanDerWaalsContact O-CB 3.27Å; M172-A176 WeakPolarHBondContact O-CB 3.31Å; M172-A176 PolarHBondContact O-N 3.23Å; L173-A176 PolarHBondContact O-N 3.05Å; A176-L178 VanDerWaalsContact C-N 3.32Å; A176-L178 PolarHBondContact O-N 2.83Å; A176-F179 PolarHBondContact O-N 2.82Å; A176-L180 PolarHBondContact O-N 3.46Å
177	S	94.1	Very high	93.6	Very high	62 Å²	62	60.7 Å²	60.7	43%	0.434	35%	0.349	S	S	.	.	H	α-helix	trans	-65.1	-34.3	173.8	83.4	0	0	0	0	113.1	L173 I174 F175 L180	L173-S177 PolarHBondContact O-N 2.94Å; I174-S177 WeakPolarHBondContact O-CB 3.46Å; I174-S177 PolarHBondContact O-N 3.13Å; I174-S177 VanDerWaalsContact O-N 3.15Å; I174-S177 PolarHBondContact O-OG 3.2Å; F175-S177 PolarHBondContact O-N 2.75Å; S177-L180 WeakPolarHBondContact O-CB 2.95Å; S177-L180 PolarHBondContact O-N 2.93Å
178	L	92.8	Very high	93.6	Very high	49 Å²	49	59.2 Å²	59.2	26%	0.257	34%	0.338	S	S	.	.	H	α-helix	trans	-67.6	-41	173.4	-173.6	67.8	0	0	0	111.2	I74 M155 I174 F175 A176 L180 Q181	I74-L178 HydrophobicContact CD1-CD1 4.32Å; I74-L178 HydrophobicContact CD1-CG 4.19Å; I74-L178 HydrophobicContact CG1-CD1 4.4Å; I74-L178 HydrophobicContact CG1-CD2 4.19Å; I74-L178 HydrophobicContact CG1-CG 4.01Å; I74-L178 HydrophobicContact CG2-CD2 4.32Å; I74-L178 HydrophobicContact CG2-CG 4.17Å; M155-L178 HydrophobicContact CE-CD2 3.53Å; M155-L178 HydrophobicContact SD-CD2 4.23Å; I174-L178 PolarHBondContact O-N 3.21Å; F175-L178 HydrophobicContact CD1-CD2 4.15Å; F175-L178 HydrophobicContact CE1-CD2 4.49Å; F175-L178 CarbonylContact O-C 3.52Å; F175-L178 WeakPolarHBondContact O-CA 3.43Å; F175-L178 VanDerWaalsContact O-CB 3.31Å; F175-L178 WeakPolarHBondContact O-CB 3.17Å; F175-L178 PolarHBondContact O-N 2.97Å; A176-L178 VanDerWaalsContact C-N 3.32Å; A176-L178 PolarHBondContact O-N 2.83Å; L178-L180 VanDerWaalsContact C-N 3.28Å; L178-L180 PolarHBondContact O-N 3.02Å; L178-Q181 VanDerWaalsContact O-CB 3.26Å; L178-Q181 WeakPolarHBondContact O-CB 3.46Å; L178-Q181 PolarHBondContact O-N 3.41Å; L178-Q181 VanDerWaalsContact O-N 3.09Å
179	F	92.1	Very high	93.5	Very high	58 Å²	58	57.9 Å²	57.9	25%	0.254	33%	0.334	S	S	.	.	H	α-helix	trans	-62.2	-33.3	173.4	-85.5	-86	0	0	0	112.7	I74 I75 A78 F107 F175 A176 Q181 C182	I74-F179 HydrophobicContact CG2-CD1 4Å; I74-F179 HydrophobicContact CG2-CD2 4.23Å; I74-F179 HydrophobicContact CG2-CE1 4Å; I74-F179 HydrophobicContact CG2-CE2 4.19Å; I74-F179 HydrophobicContact CG2-CG 4.1Å; I74-F179 HydrophobicContact CG2-CZ 4.06Å; I75-F179 HydrophobicContact CG1-CE1 3.97Å; A78-F179 HydrophobicContact CB-CE2 3.92Å; A78-F179 HydrophobicContact CB-CZ 3.72Å; F107-F179 HydrophobicContact CE2-CZ 4.37Å; F107-F179 HydrophobicContact CZ-CE1 4.37Å; F107-F179 AromaticContact CZ-CZ 3.76Å; F107-F179 HydrophobicContact CZ-CZ 3.76Å; F175-F179 VanDerWaalsContact O-CD2 3.24Å; F175-F179 WeakPolarHBondContact O-CD2 3.33Å; F175-F179 PolarHBondContact O-N 2.65Å; A176-F179 PolarHBondContact O-N 2.82Å; F179-Q181 PolarHBondContact O-N 3.13Å; F179-C182 WeakPolarHBondContact O-CB 3.28Å; F179-C182 PolarHBondContact O-N 3.19Å
180	L	92.6	Very high	93.2	Very high	130 Å²	130	59.4 Å²	59.4	68%	0.681	34%	0.34	S	S	*	.	H	α-helix	trans	-60.9	-27	174.1	-72.5	172.5	0	0	0	112.6	A176 S177 L178 C182 A183	A176-L180 PolarHBondContact O-N 3.46Å; S177-L180 WeakPolarHBondContact O-CB 2.95Å; S177-L180 PolarHBondContact O-N 2.93Å; L178-L180 VanDerWaalsContact C-N 3.28Å; L178-L180 PolarHBondContact O-N 3.02Å; L180-C182 PolarHBondContact O-N 3.47Å; L180-A183 WeakPolarHBondContact O-CB 3.21Å; L180-A183 PolarHBondContact O-N 3.43Å; L180-A183 VanDerWaalsContact O-N 3.08Å
181	Q	93.6	Very high	92.6	Very high	102 Å²	102	63.7 Å²	63.7	48%	0.477	37%	0.365	S	S	.	.	H	α-helix	trans	-64.9	-22.3	175.1	-58.8	-64.1	-9.7	0	0	112.7	L178 F179 A183 V184 L185	L178-Q181 VanDerWaalsContact O-CB 3.26Å; L178-Q181 WeakPolarHBondContact O-CB 3.46Å; L178-Q181 PolarHBondContact O-N 3.41Å; L178-Q181 VanDerWaalsContact O-N 3.09Å; F179-Q181 PolarHBondContact O-N 3.13Å; Q181-A183 PolarHBondContact O-N 3.29Å; Q181-V184 WeakPolarHBondContact O-CB 3.44Å; Q181-V184 PolarHBondContact O-N 2.87Å; Q181-V184 VanDerWaalsContact O-N 3.08Å; Q181-L185 WeakPolarHBondContact O-CG 3.23Å; Q181-L185 PolarHBondContact O-N 2.85Å
182	C	93.1	Very high	91.9	Very high	9 Å²	9	65.3 Å²	65.3	6%	0.061	37%	0.373	C	S	.	.	H	α-helix	trans	-59.8	-27.4	172.9	-66.2	0	0	0	0	112.6	I71 T121 F179 L180 L185 G186	I71-C182 HydrophobicContact CG1-CB 4.45Å; T121-C182 HydrophobicContact CG2-CB 3.66Å; F179-C182 WeakPolarHBondContact O-CB 3.28Å; F179-C182 PolarHBondContact O-N 3.19Å; L180-C182 PolarHBondContact O-N 3.47Å; C182-L185 PolarHBondContact O-N 2.81Å; C182-G186 PolarHBondContact O-N 3.41Å
183	A	92.1	Very high	90.9	Very high	72 Å²	72	67.4 Å²	67.4	60%	0.595	39%	0.391	S	S	*	.	H	α-helix	trans	-67.1	-41.4	174.6	0	0	0	0	0	111.7	L180 Q181 G186 S187	L180-A183 WeakPolarHBondContact O-CB 3.21Å; L180-A183 PolarHBondContact O-N 3.43Å; L180-A183 VanDerWaalsContact O-N 3.08Å; Q181-A183 PolarHBondContact O-N 3.29Å; A183-G186 PolarHBondContact O-N 3.4Å; A183-S187 PolarHBondContact O-N 3.18Å
184	V	95	Very high	89.3	Confident	82 Å²	82	65 Å²	65	50%	0.497	38%	0.378	S	S	.	.	H	α-helix	trans	-64.2	-45.6	174.5	-178.7	0	0	0	0	109.8	Q181 G186 S187 L188	Q181-V184 WeakPolarHBondContact O-CB 3.44Å; Q181-V184 PolarHBondContact O-N 2.87Å; Q181-V184 VanDerWaalsContact O-N 3.08Å; V184-G186 PolarHBondContact O-N 3.41Å; V184-S187 WeakPolarHBondContact O-CB 3.32Å; V184-S187 PolarHBondContact O-N 3.49Å; V184-S187 PolarHBondContact O-OG 3.27Å; V184-L188 PolarHBondContact O-N 3.44Å
185	L	95.1	Very high	87.4	Confident	20 Å²	20	63.7 Å²	63.7	11%	0.105	37%	0.374	C	S	.	.	H	α-helix	trans	-63.4	-39.6	178	-63.3	172.9	0	0	0	112.3	S67 L70 I71 I74 Q181 C182 S187 L188	S67-L185 PolarHBondContact OG-O 2.96Å; L70-L185 HydrophobicContact CB-CD1 3.56Å; L70-L185 HydrophobicContact CB-CD2 4.21Å; L70-L185 HydrophobicContact CD1-CD2 3.81Å; I71-L185 HydrophobicContact CD1-CB 3.89Å; I71-L185 HydrophobicContact CG1-CB 3.83Å; I71-L185 HydrophobicContact CG1-CD1 3.81Å; I71-L185 HydrophobicContact CG1-CG 4.49Å; I74-L185 HydrophobicContact CD1-CD1 4.31Å; Q181-L185 WeakPolarHBondContact O-CG 3.23Å; Q181-L185 PolarHBondContact O-N 2.85Å; C182-L185 PolarHBondContact O-N 2.81Å; L185-S187 VanDerWaalsContact C-N 3.34Å; L185-L188 HydrophobicContact CD2-CD1 4.49Å; L185-L188 WeakPolarHBondContact O-CB 3.36Å; L185-L188 PolarHBondContact O-N 2.93Å
186	G	92.8	Very high	85.1	Confident	33 Å²	33	65.7 Å²	65.7	34%	0.34	39%	0.392	S	S	.	.	H	α-helix	trans	-64.1	-36.5	174.2	0	0	0	0	0	112.6	C182 A183 V184 L188 M189	C182-G186 PolarHBondContact O-N 3.41Å; A183-G186 PolarHBondContact O-N 3.4Å; V184-G186 PolarHBondContact O-N 3.41Å; G186-L188 PolarHBondContact O-N 3.41Å; G186-L188 VanDerWaalsContact O-N 3.16Å; G186-M189 WeakPolarHBondContact O-CB 3.44Å; G186-M189 PolarHBondContact O-N 3.47Å
187	S	93	Very high	82.6	Confident	81 Å²	81	64.8 Å²	64.8	57%	0.566	38%	0.382	S	S	*	.	H	α-helix	trans	-64	-19.6	176.9	80.4	0	0	0	0	114	A183 V184 L185 M189	A183-S187 PolarHBondContact O-N 3.18Å; V184-S187 WeakPolarHBondContact O-CB 3.32Å; V184-S187 PolarHBondContact O-N 3.49Å; V184-S187 PolarHBondContact O-OG 3.27Å; L185-S187 VanDerWaalsContact C-N 3.34Å; S187-M189 VanDerWaalsContact C-N 3.31Å
188	L	94	Very high	80	Confident	51 Å²	51	64 Å²	64	27%	0.267	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-17.3	175.4	-62	172.4	0	0	0	112.5	W60 V63 S67 V184 L185 G186 R190	W60-L188 HydrophobicContact CZ2-CD2 4.27Å; W60-L188 PolarHBondContact NE1-O 3.09Å; V63-L188 HydrophobicContact CG1-CB 4.3Å; V63-L188 HydrophobicContact CG1-CD1 4.28Å; S67-L188 WeakPolarHBondContact OG-CD1 3.19Å; V184-L188 PolarHBondContact O-N 3.44Å; L185-L188 HydrophobicContact CD2-CD1 4.49Å; L185-L188 WeakPolarHBondContact O-CB 3.36Å; L185-L188 PolarHBondContact O-N 2.93Å; G186-L188 PolarHBondContact O-N 3.41Å; G186-L188 VanDerWaalsContact O-N 3.16Å; L188-R190 PolarHBondContact O-N 3.13Å; L188-R190 VanDerWaalsContact O-N 3.14Å
189	M	91.7	Very high	77.1	Confident	17 Å²	17	63.5 Å²	63.5	8%	0.084	37%	0.373	C	S	.	.			trans	-86	79.2	179.9	-57.9	-175.4	175.1	0	0	110.7	V64 C68 I71 A125 F128 G186 S187	V64-M189 HydrophobicContact CG1-CG 4.26Å; C68-M189 HydrophobicContact CB-CE 3.42Å; C68-M189 VanDerWaalsContact CB-CE 3.42Å; I71-M189 HydrophobicContact CD1-CE 3.77Å; A125-M189 HydrophobicContact CB-CE 3.74Å; A125-M189 HydrophobicContact CB-SD 4.12Å; F128-M189 HydrophobicContact CB-CB 4.42Å; F128-M189 HydrophobicContact CB-SD 4.11Å; F128-M189 HydrophobicContact CD1-CB 4Å; F128-M189 HydrophobicContact CD2-CB 3.9Å; F128-M189 HydrophobicContact CD2-SD 4.02Å; F128-M189 HydrophobicContact CE1-CB 4.18Å; F128-M189 WeakPolarHBondContact CE1-O 3.22Å; F128-M189 HydrophobicContact CE2-CB 4.11Å; F128-M189 HydrophobicContact CG-CB 3.86Å; F128-M189 HydrophobicContact CG-CG 4.45Å; F128-M189 HydrophobicContact CG-SD 4.23Å; F128-M189 HydrophobicContact CZ-CB 4.24Å; F128-M189 WeakPolarHBondContact CZ-O 3.4Å; G186-M189 WeakPolarHBondContact O-CB 3.44Å; G186-M189 PolarHBondContact O-N 3.47Å; S187-M189 VanDerWaalsContact C-N 3.31Å
190	R	88.6	Confident	74.1	Confident	148 Å²	148	62.9 Å²	62.9	56%	0.558	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-79.6	143.3	-177.4	-61.5	-179.8	-176.7	-170.9	1.2	110.8	Y132 L188	Y132-R190 WeakPolarHBondContact CE2-O 3.44Å; Y132-R190 PolarHBondContact OH-O 3.44Å; L188-R190 PolarHBondContact O-N 3.13Å; L188-R190 VanDerWaalsContact O-N 3.14Å
191	P	81.7	Confident	71.1	Confident	106 Å²	106	58.6 Å²	58.6	69%	0.688	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-65.1	147.5	170.2	28.3	-33.4	0	0	0	110.3
192	L	80.2	Confident	67.9	Low	33 Å²	33	56.9 Å²	56.9	17%	0.173	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-70.3	139.9	173.6	-67.6	176.2	0	0	0	110	P56 Y131 Y132 I194	P56-L192 HydrophobicContact CG-CD2 4.28Å; Y131-L192 HydrophobicContact CD1-CD1 4.21Å; Y132-L192 HydrophobicContact CD1-CD2 4.09Å; Y132-L192 HydrophobicContact CE1-CD2 3.63Å; Y132-L192 HydrophobicContact CE2-CD2 4.14Å; Y132-L192 HydrophobicContact CE2-CG 4.4Å; L192-I194 PolarHBondContact O-N 2.96Å
193	P	70	Confident	64.8	Low	110 Å²	110	59.1 Å²	59.1	71%	0.714	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-59.7	128.4	173.8	-20.8	31.7	0	0	0	110.3	S53	S53-P193 PolarHBondContact OG-O 2.97Å
194	I	63	Low	61.7	Low	79 Å²	79	58.2 Å²	58.2	41%	0.405	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-69.2	126.7	172.8	-62	167.6	0	0	0	107.4	L192 A196 N331	L192-I194 PolarHBondContact O-N 2.96Å; I194-A196 PolarHBondContact O-N 3.28Å; I194-N331 HydrophobicContact CD1-CB 4.44Å; I194-N331 HydrophobicContact CG1-CB 4.11Å; I194-N331 WeakPolarHBondContact CG2-ND2 3.38Å
195	P	54.4	Low	58.6	Low	36 Å²	36	61.8 Å²	61.8	23%	0.234	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-54.5	125.3	173.5	20.4	-32.1	0	0	0	109.5	D50 S53 S197 V219	D50-P195 WeakPolarHBondContact O-CB 3.28Å; D50-P195 WeakPolarHBondContact O-CG 3.16Å; S53-P195 WeakPolarHBondContact OG-CD 3.42Å; P195-S197 VanDerWaalsContact C-N 3.33Å; P195-S197 PolarHBondContact O-N 3.04Å; P195-V219 WeakPolarHBondContact O-CG2 3.26Å
196	A	44.7	Very low	55.6	Low	48 Å²	48	70 Å²	70	40%	0.397	39%	0.391	S	S	.	.			trans	-84.3	3.9	-165.5	0	0	0	0	0	113.7	I194 D218 V219	I194-A196 PolarHBondContact O-N 3.28Å; A196-D218 CarbonylContact O-C 3.58Å; A196-D218 VanDerWaalsContact O-C 3.23Å; A196-D218 WeakPolarHBondContact O-CA 3.3Å; A196-V219 WeakPolarHBondContact O-CG2 3.4Å; A196-V219 PolarHBondContact O-N 2.91Å
197	S	40.5	Very low	52.7	Low	34 Å²	34	72.1 Å²	72.1	24%	0.238	40%	0.398	C	S	.	.			trans	-150.5	134.5	179.5	52.2	0	0	0	0	112.1	D50 P195 S199 V217	D50-S197 WeakPolarHBondContact CB-O 2.91Å; P195-S197 VanDerWaalsContact C-N 3.33Å; P195-S197 PolarHBondContact O-N 3.04Å; S197-S199 PolarHBondContact O-N 3.18Å; S197-V217 WeakPolarHBondContact CA-O 3.29Å; S197-V217 VanDerWaalsContact CB-O 3.28Å; S197-V217 WeakPolarHBondContact CB-O 3.47Å
198	I	39.8	Very low	49.6	Very low	46 Å²	46	71.1 Å²	71.1	24%	0.236	40%	0.4	C	S	.	.			trans	-75.8	98.9	156.3	-61.6	171.6	0	0	0	104.6	L51 L200	L51-I198 HydrophobicContact CD1-CD1 4.25Å; L51-I198 HydrophobicContact CD1-CG1 4.09Å; I198-L200 HydrophobicContact CG2-CD2 4.37Å; I198-L200 HydrophobicContact CG2-CG 4.4Å; I198-L200 PolarHBondContact O-N 3.43Å; I198-L200 VanDerWaalsContact O-N 3.16Å
199	S	30.6	Very low	46.3	Very low	38 Å²	38	75.1 Å²	75.1	27%	0.266	42%	0.415	S	S	.	.			trans	-76.4	103.6	172.1	72.6	0	0	0	0	108.5	D50 S197 I201	D50-S199 PolarHBondContact OD2-OG 3.02Å; S197-S199 PolarHBondContact O-N 3.18Å; S199-I201 VanDerWaalsContact C-N 3.35Å; S199-I201 PolarHBondContact O-N 3.43Å
200	L	31	Very low	43.4	Very low	46 Å²	46	78.8 Å²	78.8	24%	0.241	44%	0.438	C	S	.	.			trans	-73.5	92.6	170.9	-72.4	171.2	0	0	0	107.7	V46 I198 T202 V226	V46-L200 HydrophobicContact CG1-CD2 4.47Å; V46-L200 HydrophobicContact CG2-CD2 4Å; I198-L200 HydrophobicContact CG2-CD2 4.37Å; I198-L200 HydrophobicContact CG2-CG 4.4Å; I198-L200 PolarHBondContact O-N 3.43Å; I198-L200 VanDerWaalsContact O-N 3.16Å; L200-T202 PolarHBondContact O-N 2.94Å; L200-V226 HydrophobicContact CD1-CG1 3.48Å; L200-V226 VanDerWaalsContact CD1-CG1 3.48Å
201	I	27.8	Very low	40.6	Very low	39 Å²	39	76.8 Å²	76.8	20%	0.2	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	113.3	174.8	-57.4	174.9	0	0	0	108.4	S199 V210	S199-I201 VanDerWaalsContact C-N 3.35Å; S199-I201 PolarHBondContact O-N 3.43Å; I201-V210 HydrophobicContact CG2-CG1 3.66Å
202	T	27.7	Very low	37.9	Very low	67 Å²	67	76.7 Å²	76.7	41%	0.411	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	118.7	169.7	52.8	0	0	0	0	109.6	L200 F211	L200-T202 PolarHBondContact O-N 2.94Å; T202-F211 PolarHBondContact O-N 3.04Å
203	T	27.7	Very low	35.5	Very low	55 Å²	55	77.8 Å²	77.8	34%	0.337	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.9	171.1	15.9	0	0	0	0	110.5	V210	T203-V210 HydrophobicContact CG2-CG2 4.28Å
204	D	26.6	Very low	33.3	Very low	53 Å²	53	77.3 Å²	77.3	28%	0.283	44%	0.443	S	S	.	.			trans	-89.4	111	169.6	175.3	12.8	0	0	0	109.7	K206 T207 G208 F211	D204-K206 PolarHBondContact O-N 3.32Å; D204-K206 VanDerWaalsContact O-N 3.16Å; D204-K206 WeakPolarHBondContact OD1-CB 3.06Å; D204-K206 PolarHBondContact OD1-N 3.44Å; D204-T207 PolarHBondContact O-N 3.2Å; D204-T207 PolarHBondContact OD2-OG1 3.02Å; D204-G208 PolarHBondContact O-N 3.25Å; D204-F211 HydrophobicContact CB-CE2 4.14Å
205	E	30.2	Very low	31.6	Very low	157 Å²	157	75.5 Å²	75.5	73%	0.734	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-28.6	178	-103.4	-175	158.8	0	0	113.2
206	K	31.3	Very low	30.2	Very low	194 Å²	194	81.4 Å²	81.4	84%	0.843	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-24.6	-176.3	-69.7	-176.3	178.9	177.3	0	113.3	D204	D204-K206 PolarHBondContact O-N 3.32Å; D204-K206 VanDerWaalsContact O-N 3.16Å; D204-K206 WeakPolarHBondContact OD1-CB 3.06Å; D204-K206 PolarHBondContact OD1-N 3.44Å
207	T	32	Very low	29.4	Very low	77 Å²	77	80.7 Å²	80.7	47%	0.472	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-10	-174.7	60.1	0	0	0	0	113.8	D204 K209	D204-T207 PolarHBondContact O-N 3.2Å; D204-T207 PolarHBondContact OD2-OG1 3.02Å; T207-K209 PolarHBondContact O-N 3.16Å
208	G	29.3	Very low	28.7	Very low	60 Å²	60	84 Å²	84	62%	0.619	48%	0.479	S	S	*	.			trans	60.8	10	-174.8	0	0	0	0	0	113.3	D204	D204-G208 PolarHBondContact O-N 3.25Å
209	K	24.6	Very low	28.4	Very low	135 Å²	135	82.6 Å²	82.6	59%	0.587	47%	0.473	S	S	*	.			trans	-83.9	124.6	-178	-74.5	-176.8	178.1	178.4	0	109.5	T207 F211	T207-K209 PolarHBondContact O-N 3.16Å; K209-F211 HydrophobicContact CB-CE2 4.04Å; K209-F211 HydrophobicContact CB-CZ 4.28Å; K209-F211 WeakPolarHBondContact O-CD2 3.27Å; K209-F211 PolarHBondContact O-N 3.32Å
210	V	30.3	Very low	28.3	Very low	93 Å²	93	84.8 Å²	84.8	56%	0.564	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	114.5	170.8	-178.7	0	0	0	0	107.8	I201 T203 P212	I201-V210 HydrophobicContact CG2-CG1 3.66Å; T203-V210 HydrophobicContact CG2-CG2 4.28Å; V210-P212 WeakPolarHBondContact O-CD 3.32Å
211	F	28.3	Very low	28.1	Very low	106 Å²	106	85.7 Å²	85.7	47%	0.465	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	110.5	169.5	-66.7	-83.9	0	0	0	108.2	T202 D204 K209 S213	T202-F211 PolarHBondContact O-N 3.04Å; D204-F211 HydrophobicContact CB-CE2 4.14Å; K209-F211 HydrophobicContact CB-CE2 4.04Å; K209-F211 HydrophobicContact CB-CZ 4.28Å; K209-F211 WeakPolarHBondContact O-CD2 3.27Å; K209-F211 PolarHBondContact O-N 3.32Å; F211-S213 PolarHBondContact O-N 3.08Å
212	P	26	Very low	28.2	Very low	105 Å²	105	85.3 Å²	85.3	68%	0.682	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.9	129.8	161.6	25.3	-29.6	0	0	0	107.3	V210 S214	V210-P212 WeakPolarHBondContact O-CD 3.32Å; P212-S214 PolarHBondContact O-N 2.85Å
213	S	29.5	Very low	28.2	Very low	55 Å²	55	82.8 Å²	82.8	39%	0.385	49%	0.485	S	S	.	.			trans	-53.1	120.2	167.7	58.7	0	0	0	0	107.5	F211 G215	F211-S213 PolarHBondContact O-N 3.08Å; S213-G215 PolarHBondContact O-N 3.37Å
214	S	23.6	Very low	28.1	Very low	101 Å²	101	86.3 Å²	86.3	71%	0.706	50%	0.495	S	S	*	.	S	Bend	trans	-60.6	99.9	177.4	45.2	0	0	0	0	109.3	P212 K229	P212-S214 PolarHBondContact O-N 2.85Å; S214-K229 PolarHBondContact O-NZ 3.34Å
215	G	28	Very low	27.9	Very low	40 Å²	40	88.8 Å²	88.8	41%	0.412	51%	0.508	S	S	.	.			trans	140.3	99	-175.9	0	0	0	0	0	109.9	S213 V217	S213-G215 PolarHBondContact O-N 3.37Å; G215-V217 VanDerWaalsContact C-N 3.33Å; G215-V217 PolarHBondContact O-N 3.39Å
216	D	24.7	Very low	27.8	Very low	160 Å²	160	83.9 Å²	83.9	86%	0.856	49%	0.489	S	S	*	.			trans	-60.4	102.8	152.3	-67.6	-47.5	0	0	0	105.8
217	V	28.5	Very low	27.7	Very low	34 Å²	34	76.7 Å²	76.7	21%	0.206	46%	0.46	C	S	.	.			trans	-98.9	112.3	179.3	-176.7	0	0	0	0	108.3	S197 G215 D225 V226	S197-V217 WeakPolarHBondContact CA-O 3.29Å; S197-V217 VanDerWaalsContact CB-O 3.28Å; S197-V217 WeakPolarHBondContact CB-O 3.47Å; G215-V217 VanDerWaalsContact C-N 3.33Å; G215-V217 PolarHBondContact O-N 3.39Å; V217-D225 HydrophobicContact CG1-CB 4.22Å; V217-V226 HydrophobicContact CB-CG2 4.22Å; V217-V226 HydrophobicContact CG1-CG2 3.92Å; V217-V226 HydrophobicContact CG2-CG2 4.42Å
218	D	24.5	Very low	27.4	Very low	102 Å²	102	75.8 Å²	75.8	55%	0.545	47%	0.466	S	S	.	.			trans	-56.5	135.4	178.2	-87.1	-40.5	0	0	0	111.8	A196 A220 D221 T222	A196-D218 CarbonylContact O-C 3.58Å; A196-D218 VanDerWaalsContact O-C 3.23Å; A196-D218 WeakPolarHBondContact O-CA 3.3Å; D218-A220 PolarHBondContact O-N 3.19Å; D218-A220 VanDerWaalsContact O-N 3.12Å; D218-D221 CarbonylContact O-C 3.36Å; D218-D221 WeakPolarHBondContact O-CA 3.45Å; D218-D221 PolarHBondContact O-N 2.8Å; D218-T222 PolarHBondContact O-N 3.28Å
219	V	33.3	Very low	27.2	Very low	18 Å²	18	81 Å²	81	11%	0.109	47%	0.471	C	S	.	.	G	3₁₀ helix	trans	-62.2	-22.2	177	161.7	0	0	0	0	111	P195 A196 D221 T222 K328	P195-V219 WeakPolarHBondContact O-CG2 3.26Å; A196-V219 WeakPolarHBondContact O-CG2 3.4Å; A196-V219 PolarHBondContact O-N 2.91Å; V219-D221 VanDerWaalsContact C-N 3.28Å; V219-D221 PolarHBondContact O-N 3.05Å; V219-T222 HydrophobicContact CB-CG2 4.41Å; V219-T222 HydrophobicContact CG2-CG2 4.27Å; V219-T222 PolarHBondContact O-OG1 2.93Å; V219-K328 HydrophobicContact CG1-CG 4.44Å
220	A	30	Very low	27.3	Very low	83 Å²	83	78.2 Å²	78.2	69%	0.686	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-65.9	-28.5	170.4	0	0	0	0	0	113.2	D218	D218-A220 PolarHBondContact O-N 3.19Å; D218-A220 VanDerWaalsContact O-N 3.12Å
221	D	25.5	Very low	27	Very low	65 Å²	65	77.2 Å²	77.2	35%	0.348	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-109.9	17.5	-179.2	-106.9	-23.1	0	0	0	112.8	D218 V219 G223 K224	D218-D221 CarbonylContact O-C 3.36Å; D218-D221 WeakPolarHBondContact O-CA 3.45Å; D218-D221 PolarHBondContact O-N 2.8Å; V219-D221 VanDerWaalsContact C-N 3.28Å; V219-D221 PolarHBondContact O-N 3.05Å; D221-G223 PolarHBondContact O-N 3.07Å; D221-K224 PolarHBondContact O-N 3.24Å; D221-K224 WeakPolarHBondContact OD1-CD 3.23Å; D221-K224 IonicContact OD1-NZ 3.3Å; D221-K224 PolarHBondContact OD1-NZ 2.74Å
222	T	29.8	Very low	26.8	Very low	32 Å²	32	74.6 Å²	74.6	20%	0.196	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-16.3	175.7	40.6	0	0	0	0	114.6	D218 V219	D218-T222 PolarHBondContact O-N 3.28Å; V219-T222 HydrophobicContact CB-CG2 4.41Å; V219-T222 HydrophobicContact CG2-CG2 4.27Å; V219-T222 PolarHBondContact O-OG1 2.93Å
223	G	28.5	Very low	26.7	Very low	14 Å²	14	74.2 Å²	74.2	14%	0.144	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-13.9	171.5	0	0	0	0	0	115.7	D221 P237	D221-G223 PolarHBondContact O-N 3.07Å; G223-P237 VanDerWaalsContact CA-CD 3.49Å
224	K	24.8	Very low	26.3	Very low	129 Å²	129	77.7 Å²	77.7	56%	0.561	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	-48.9	-169.7	-67.9	-172.9	-164.6	129.4	0	115.3	D221	D221-K224 PolarHBondContact O-N 3.24Å; D221-K224 WeakPolarHBondContact OD1-CD 3.23Å; D221-K224 IonicContact OD1-NZ 3.3Å; D221-K224 PolarHBondContact OD1-NZ 2.74Å
225	D	23.8	Very low	26.4	Very low	104 Å²	104	75.9 Å²	75.9	56%	0.556	46%	0.463	S	S	*	.	S	Bend	trans	-110.2	-24.3	-157.5	-77.2	-10.4	0	0	0	117	V217 L227 G228	V217-D225 HydrophobicContact CG1-CB 4.22Å; D225-L227 VanDerWaalsContact C-N 3.29Å; D225-L227 PolarHBondContact O-N 2.95Å; D225-G228 PolarHBondContact O-N 2.87Å
226	V	27.6	Very low	26.2	Very low	54 Å²	54	79.3 Å²	79.3	33%	0.327	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-27.6	-175.8	-178.5	0	0	0	0	112.5	L200 V217	L200-V226 HydrophobicContact CD1-CG1 3.48Å; L200-V226 VanDerWaalsContact CD1-CG1 3.48Å; V217-V226 HydrophobicContact CB-CG2 4.22Å; V217-V226 HydrophobicContact CG1-CG2 3.92Å; V217-V226 HydrophobicContact CG2-CG2 4.42Å
227	L	29.6	Very low	26.4	Very low	44 Å²	44	73.1 Å²	73.1	23%	0.23	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-12.3	-176.7	-78.4	157.9	0	0	0	113.7	D225 I232 L235	D225-L227 VanDerWaalsContact C-N 3.29Å; D225-L227 PolarHBondContact O-N 2.95Å; L227-I232 WeakPolarHBondContact CB-O 3.37Å; L227-I232 HydrophobicContact CD2-CB 3.81Å; L227-I232 HydrophobicContact CD2-CD1 4.34Å; L227-I232 HydrophobicContact CD2-CG2 3.67Å; L227-I232 CarbonylContact O-C 3.23Å; L227-I232 PolarHBondContact O-N 3.32Å; L227-I232 VanDerWaalsContact O-O 3.04Å; L227-L235 HydrophobicContact CD1-CB 3.7Å; L227-L235 HydrophobicContact CD1-CD1 4.37Å; L227-L235 HydrophobicContact CD2-CD1 4.28Å
228	G	24.7	Very low	26.3	Very low	58 Å²	58	75.3 Å²	75.3	60%	0.598	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-30.9	-178.5	0	0	0	0	0	114.5	D225	D225-G228 PolarHBondContact O-N 2.87Å
229	K	25.1	Very low	26.3	Very low	169 Å²	169	75.5 Å²	75.5	74%	0.735	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-16.2	-174.2	-72.5	-176	-178.8	172.6	0	114.3	S214	S214-K229 PolarHBondContact O-NZ 3.34Å
230	S	27.2	Very low	26.2	Very low	77 Å²	77	77 Å²	77	54%	0.538	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	27.2	178.5	60.8	0	0	0	0	113.2	I232	S230-I232 PolarHBondContact O-N 3.45Å
231	G	23.8	Very low	26	Very low	72 Å²	72	77.9 Å²	77.9	74%	0.742	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	14.8	172.7	0	0	0	0	0	115.2	S233	G231-S233 PolarHBondContact O-N 2.9Å
232	I	25.4	Very low	26.1	Very low	50 Å²	50	82.2 Å²	82.2	26%	0.256	47%	0.472	S	S	.	.			trans	-96.6	76.4	173.1	-54.8	171.8	0	0	0	106.2	L227 S230 L234 L235	L227-I232 WeakPolarHBondContact CB-O 3.37Å; L227-I232 HydrophobicContact CD2-CB 3.81Å; L227-I232 HydrophobicContact CD2-CD1 4.34Å; L227-I232 HydrophobicContact CD2-CG2 3.67Å; L227-I232 CarbonylContact O-C 3.23Å; L227-I232 PolarHBondContact O-N 3.32Å; L227-I232 VanDerWaalsContact O-O 3.04Å; S230-I232 PolarHBondContact O-N 3.45Å; I232-L234 PolarHBondContact O-N 2.91Å; I232-L235 HydrophobicContact CG2-CD1 3.81Å
233	S	22.2	Very low	25.9	Very low	97 Å²	97	89.6 Å²	89.6	68%	0.678	50%	0.504	S	S	*	.			trans	-55.7	126.7	178	-79.6	0	0	0	0	112	G231	G231-S233 PolarHBondContact O-N 2.9Å
234	L	22.1	Very low	25.7	Very low	128 Å²	128	97.4 Å²	97.4	67%	0.67	54%	0.537	S	S	*	.			trans	53.2	82.6	161	-74.3	116.8	0	0	0	117	I232	I232-L234 PolarHBondContact O-N 2.91Å
235	L	25	Very low	25.7	Very low	64 Å²	64	98 Å²	98	34%	0.335	55%	0.546	S	S	.	.			trans	-111.3	98.3	153.2	-73.5	142	0	0	0	107.9	L227 I232	L227-L235 HydrophobicContact CD1-CB 3.7Å; L227-L235 HydrophobicContact CD1-CD1 4.37Å; L227-L235 HydrophobicContact CD2-CD1 4.28Å; I232-L235 HydrophobicContact CG2-CD1 3.81Å
236	H	23.9	Very low	25.7	Very low	112 Å²	112	99 Å²	99	52%	0.519	56%	0.561	S	S	.	*			trans	-71.5	130	165.8	-141.2	-85.5	0	0	0	107	L238	H236-L238 PolarHBondContact O-N 3.39Å
237	P	28.8	Very low	25.6	Very low	30 Å²	30	103.6 Å²	103.6	20%	0.195	58%	0.584	C	S	.	*			trans	-55.6	127.6	162.5	22.4	-28.1	0	0	0	106.6	G223 D239	G223-P237 VanDerWaalsContact CA-CD 3.49Å; P237-D239 VanDerWaalsContact C-N 3.34Å; P237-D239 PolarHBondContact O-N 3.08Å
238	L	26.6	Very low	25.4	Very low	80 Å²	80	107.3 Å²	107.3	42%	0.419	61%	0.61	S	S	.	*			trans	-63.6	101.9	173.4	-74.7	163.3	0	0	0	106.1	H236 V240 L382	H236-L238 PolarHBondContact O-N 3.39Å; L238-V240 PolarHBondContact O-N 3.25Å; L238-L382 VanDerWaalsContact CD1-O 3.23Å; L238-L382 WeakPolarHBondContact CD1-O 3.44Å
239	D	25.4	Very low	25.7	Very low	105 Å²	105	108.8 Å²	108.8	56%	0.561	62%	0.617	S	S	*	*			trans	-52.3	131.5	160	-79.2	-39.6	0	0	0	106	P237 V241	P237-D239 VanDerWaalsContact C-N 3.34Å; P237-D239 PolarHBondContact O-N 3.08Å; D239-V241 PolarHBondContact O-N 3.24Å
240	V	31.5	Very low	25.8	Very low	51 Å²	51	108.3 Å²	108.3	31%	0.309	62%	0.622	S	S	.	*			trans	-55	113.5	172.9	-179.3	0	0	0	0	105.8	L238 Q242 L384 L400	L238-V240 PolarHBondContact O-N 3.25Å; V240-Q242 VanDerWaalsContact C-N 3.32Å; V240-Q242 PolarHBondContact O-N 2.97Å; V240-L384 HydrophobicContact CG2-CD1 4.39Å; V240-L400 HydrophobicContact CB-CD2 4.02Å; V240-L400 HydrophobicContact CG1-CD2 3.35Å; V240-L400 HydrophobicContact CG2-CD2 4Å
241	V	25.1	Very low	25.8	Very low	101 Å²	101	113.6 Å²	113.6	61%	0.612	64%	0.639	S	S	*	*			trans	-55.9	102.3	180	178.3	0	0	0	0	106.2	D239 E243	D239-V241 PolarHBondContact O-N 3.24Å; V241-E243 PolarHBondContact O-N 2.89Å
242	Q	26.2	Very low	26.1	Very low	156 Å²	156	114 Å²	114	73%	0.729	63%	0.63	S	S	*	*			trans	-66.7	122	157.2	-69.5	-174.6	-13.6	0	0	103.6	V240 E244	V240-Q242 VanDerWaalsContact C-N 3.32Å; V240-Q242 PolarHBondContact O-N 2.97Å; Q242-E244 PolarHBondContact O-N 3.45Å
243	E	25.8	Very low	26.3	Very low	187 Å²	187	115.8 Å²	115.8	87%	0.874	65%	0.647	S	S	*	*			trans	-58.3	92	164.3	-78.8	-179.6	151.4	0	0	106.4	V241 D245	V241-E243 PolarHBondContact O-N 2.89Å; E243-D245 PolarHBondContact O-N 3.35Å
244	E	24.5	Very low	26.5	Very low	178 Å²	178	118.2 Å²	118.2	83%	0.832	65%	0.652	S	S	*	*			trans	-65.8	127.8	163.8	-84	-170	161.6	0	0	107.3	Q242 S246	Q242-E244 PolarHBondContact O-N 3.45Å; E244-S246 PolarHBondContact O-N 3.06Å
245	D	25.9	Very low	26.7	Very low	140 Å²	140	121.8 Å²	121.8	75%	0.749	66%	0.657	S	S	*	*			trans	-45.2	132.6	-174.1	-69.5	-59.2	0	0	0	113.3	E243 L247	E243-D245 PolarHBondContact O-N 3.35Å; D245-L247 VanDerWaalsContact C-N 3.32Å; D245-L247 PolarHBondContact O-N 2.93Å
246	S	23.7	Very low	26.7	Very low	126 Å²	126	127.1 Å²	127.1	88%	0.881	67%	0.672	S	S	*	*			trans	-58.7	90.1	163.9	54.6	0	0	0	0	110.4	E244	E244-S246 PolarHBondContact O-N 3.06Å
247	L	24.2	Very low	26.9	Very low	151 Å²	151	129.1 Å²	129.1	79%	0.791	69%	0.687	S	S	*	*			trans	-91.1	149.1	167.5	-81.9	153	0	0	0	110.7	D245	D245-L247 VanDerWaalsContact C-N 3.32Å; D245-L247 PolarHBondContact O-N 2.93Å
248	P	25.7	Very low	26.8	Very low	121 Å²	121	130.7 Å²	130.7	79%	0.786	70%	0.702	S	S	*	*			trans	-76.6	156.3	-157.3	-13.3	29.8	0	0	0	115.4	D250	P248-D250 PolarHBondContact O-N 3.38Å
249	A	32.5	Very low	26.8	Very low	90 Å²	90	131.5 Å²	131.5	74%	0.744	71%	0.706	S	S	*	*	S	Bend	trans	-78	30.5	-154.4	0	0	0	0	0	119.3
250	D	27	Very low	26.8	Very low	158 Å²	158	130.4 Å²	130.4	85%	0.845	71%	0.705	S	S	*	*			trans	-108.6	10.4	-169	-91.1	-18.8	0	0	0	118.6	P248	P248-D250 PolarHBondContact O-N 3.38Å
251	E	25.8	Very low	26.6	Very low	189 Å²	189	136 Å²	136	88%	0.883	73%	0.725	S	S	*	*			trans	-116.5	60.5	168.3	-74	-170	161.3	0	0	112.6
252	S	31.2	Very low	26.7	Very low	80 Å²	80	136.2 Å²	136.2	56%	0.559	72%	0.722	S	S	*	*			trans	-92.4	4.6	-177.5	62.3	0	0	0	0	115.6
253	S	29	Very low	26.7	Very low	87 Å²	87	131.4 Å²	131.4	61%	0.608	71%	0.71	S	S	*	*	S	Bend	trans	-90.2	-34.6	-177.2	65.3	0	0	0	0	114.5
254	N	26.8	Very low	26.8	Very low	148 Å²	148	130 Å²	130	79%	0.791	70%	0.703	S	S	*	*	S	Bend	trans	-88	-12.4	-172.3	-83.5	-15.3	0	0	0	115.6
255	R	27	Very low	27	Very low	203 Å²	203	125.9 Å²	125.9	77%	0.766	68%	0.684	S	S	*	*	S	Bend	trans	-86.2	-13.9	175.1	-77.1	-168.1	-161.4	-163.2	6	115.1	N257 A258 L259	R255-N257 PolarHBondContact O-N 3.47Å; R255-N257 VanDerWaalsContact O-N 3.1Å; R255-A258 PolarHBondContact O-N 3.47Å; R255-L259 PolarHBondContact O-N 3.06Å
256	R	25	Very low	27	Very low	177 Å²	177	121.5 Å²	121.5	67%	0.668	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-21.6	179.9	-82.8	-171.8	178.3	120.5	-0.3	113.9
257	N	26.6	Very low	27.2	Very low	154 Å²	154	121.1 Å²	121.1	82%	0.824	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-13.1	176.6	-69.5	-12.3	0	0	0	114.1	R255	R255-N257 PolarHBondContact O-N 3.47Å; R255-N257 VanDerWaalsContact O-N 3.1Å
258	A	27.9	Very low	27.3	Very low	63 Å²	63	121.2 Å²	121.2	52%	0.521	65%	0.649	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.3	-19	174.9	0	0	0	0	0	113	R255	R255-A258 PolarHBondContact O-N 3.47Å
259	L	26.4	Very low	27.3	Very low	96 Å²	96	122.9 Å²	122.9	50%	0.503	64%	0.64	S	S	.	*	H	α-helix	trans	-69.1	-22.9	-178.1	-94.2	145.8	0	0	0	117.3	R255 K261 L262 A263	R255-L259 PolarHBondContact O-N 3.06Å; L259-K261 PolarHBondContact O-N 3.19Å; L259-L262 PolarHBondContact O-N 3.33Å; L259-A263 PolarHBondContact O-N 2.71Å
260	P	24.9	Very low	27	Very low	82 Å²	82	124.4 Å²	124.4	53%	0.532	64%	0.636	S	S	.	*	H	α-helix	trans	-64.1	-30.7	177.2	-21.3	32.3	0	0	0	112.7	E264	P260-E264 PolarHBondContact O-N 2.94Å
261	K	27.3	Very low	26.9	Very low	168 Å²	168	121.3 Å²	121.3	73%	0.73	63%	0.626	S	S	*	*	H	α-helix	trans	-75.5	-28.5	179	-70.8	-170.7	174.4	-174.8	0	113.3	L259 E265	L259-K261 PolarHBondContact O-N 3.19Å; K261-E265 WeakPolarHBondContact O-CG 3.45Å; K261-E265 PolarHBondContact O-N 2.72Å
262	L	27.1	Very low	26.9	Very low	106 Å²	106	117 Å²	117	56%	0.555	61%	0.609	S	S	*	*	H	α-helix	trans	-82.1	-30.1	178.8	-83.7	150.6	0	0	0	112.7	L259 E265 A266	L259-L262 PolarHBondContact O-N 3.33Å; L262-E265 PolarHBondContact O-N 2.66Å; L262-A266 PolarHBondContact O-N 2.76Å
263	A	26.6	Very low	26.7	Very low	56 Å²	56	118.2 Å²	118.2	46%	0.463	62%	0.615	S	S	.	*	H	α-helix	trans	-71.9	-40.5	176.9	0	0	0	0	0	112.4	L259 E265 A266 D267	L259-A263 PolarHBondContact O-N 2.71Å; A263-E265 VanDerWaalsContact C-N 3.25Å; A263-E265 PolarHBondContact O-N 3.16Å; A263-A266 PolarHBondContact O-N 3.48Å; A263-D267 PolarHBondContact O-N 3.46Å
264	E	27.5	Very low	26.5	Very low	157 Å²	157	123.2 Å²	123.2	73%	0.734	63%	0.626	S	S	*	*	H	α-helix	trans	-64.9	-30.1	171.9	-82.6	-173.9	155.1	0	0	112.3	P260	P260-E264 PolarHBondContact O-N 2.94Å
265	E	28.5	Very low	26.6	Very low	91 Å²	91	119.6 Å²	119.6	43%	0.425	61%	0.606	S	S	.	*	H	α-helix	trans	-71.7	-42.4	172.7	-79.4	179.6	164.3	0	0	111.6	K261 L262 A263 D267 K268 W269	K261-E265 WeakPolarHBondContact O-CG 3.45Å; K261-E265 PolarHBondContact O-N 2.72Å; L262-E265 PolarHBondContact O-N 2.66Å; A263-E265 VanDerWaalsContact C-N 3.25Å; A263-E265 PolarHBondContact O-N 3.16Å; E265-D267 PolarHBondContact O-N 3.39Å; E265-K268 WeakPolarHBondContact O-CA 3.48Å; E265-K268 WeakPolarHBondContact O-CB 3.35Å; E265-K268 PolarHBondContact O-N 3.17Å; E265-W269 PolarHBondContact O-N 3.38Å
266	A	27.3	Very low	26.7	Very low	48 Å²	48	114.4 Å²	114.4	40%	0.397	60%	0.601	S	S	.	*	H	α-helix	trans	-59.7	-39.3	177.9	0	0	0	0	0	113.5	L262 A263 K268 W269 N270	L262-A266 PolarHBondContact O-N 2.76Å; A263-A266 PolarHBondContact O-N 3.48Å; A266-K268 PolarHBondContact O-N 3.43Å; A266-W269 WeakPolarHBondContact O-CB 3.2Å; A266-W269 PolarHBondContact O-N 2.74Å; A266-N270 PolarHBondContact O-N 3.28Å
267	D	27	Very low	26.8	Very low	119 Å²	119	112 Å²	112	64%	0.636	61%	0.605	S	S	*	*	H	α-helix	trans	-67.5	-26.9	174.6	-81.2	-23.7	0	0	0	112.5	A263 E265 N270	A263-D267 PolarHBondContact O-N 3.46Å; E265-D267 PolarHBondContact O-N 3.39Å; D267-N270 PolarHBondContact O-N 3.19Å
268	K	27	Very low	27.1	Very low	152 Å²	152	105.8 Å²	105.8	66%	0.661	58%	0.575	S	S	*	*	H	α-helix	trans	-68.2	-38.1	172.9	-129.6	175.6	-175.9	179	0	111.7	E265 A266 N270 S271	E265-K268 WeakPolarHBondContact O-CA 3.48Å; E265-K268 WeakPolarHBondContact O-CB 3.35Å; E265-K268 PolarHBondContact O-N 3.17Å; A266-K268 PolarHBondContact O-N 3.43Å; K268-N270 VanDerWaalsContact C-N 3.33Å; K268-N270 PolarHBondContact O-N 3.22Å; K268-S271 PolarHBondContact O-N 2.88Å; K268-S271 PolarHBondContact O-OG 3.43Å
269	W	24.6	Very low	27.5	Very low	156 Å²	156	107.6 Å²	107.6	59%	0.591	57%	0.568	S	S	*	*	H	α-helix	trans	-64.6	-34.5	176.2	-70.9	95.7	0	0	0	112.9	E265 A266 S271	E265-W269 PolarHBondContact O-N 3.38Å; A266-W269 WeakPolarHBondContact O-CB 3.2Å; A266-W269 PolarHBondContact O-N 2.74Å; W269-S271 PolarHBondContact O-N 2.77Å
270	N	26.4	Very low	27.7	Very low	123 Å²	123	106.8 Å²	106.8	66%	0.658	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-10.3	177.7	-75.2	-32.7	0	0	0	114.3	A266 D267 K268	A266-N270 PolarHBondContact O-N 3.28Å; D267-N270 PolarHBondContact O-N 3.19Å; K268-N270 VanDerWaalsContact C-N 3.33Å; K268-N270 PolarHBondContact O-N 3.22Å
271	S	25.1	Very low	28	Very low	92 Å²	92	109 Å²	109	64%	0.643	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-3.2	-177.6	73.7	0	0	0	0	114.9	K268 W269	K268-S271 PolarHBondContact O-N 2.88Å; K268-S271 PolarHBondContact O-OG 3.43Å; W269-S271 PolarHBondContact O-N 2.77Å
272	L	26.8	Very low	28.3	Very low	98 Å²	98	102.6 Å²	102.6	51%	0.513	54%	0.544	S	S	.	.	S	Bend	trans	-72.8	137.1	173.1	-78.6	160	0	0	0	110.9	K274	L272-K274 PolarHBondContact O-N 3.47Å
273	P	26	Very low	28.7	Very low	106 Å²	106	100.5 Å²	100.5	69%	0.688	54%	0.539	S	S	*	.			trans	-58	124.4	-175.6	-21.2	31	0	0	0	112.3	L275	P273-L275 PolarHBondContact O-N 3.02Å
274	K	24.8	Very low	29	Very low	193 Å²	193	105.5 Å²	105.5	84%	0.839	55%	0.546	S	S	*	.			trans	-62.2	92.5	178.7	-67.9	-179.3	178.9	-179.7	0	111.2	L272 S276	L272-K274 PolarHBondContact O-N 3.47Å; K274-S276 PolarHBondContact O-N 3.28Å
275	L	28.2	Very low	29.2	Very low	72 Å²	72	103.5 Å²	103.5	38%	0.377	54%	0.539	S	S	.	.			trans	-85.6	82.2	177.9	-154.9	103.2	0	0	0	110.1	P273 S278 R279 H313	P273-L275 PolarHBondContact O-N 3.02Å; L275-S278 WeakPolarHBondContact CD2-OG 3.35Å; L275-R279 PolarHBondContact O-NE 3.03Å; L275-H313 WeakPolarHBondContact CD2-CE1 3.24Å
276	S	28.9	Very low	29.7	Very low	94 Å²	94	101.4 Å²	101.4	66%	0.657	53%	0.531	S	S	*	.			trans	-87.7	-14.4	-170.2	79.3	0	0	0	0	116	K274	K274-S276 PolarHBondContact O-N 3.28Å
277	T	28.6	Very low	30.1	Very low	125 Å²	125	103.7 Å²	103.7	77%	0.767	54%	0.544	S	S	*	.	S	Bend	trans	-101.9	-17.6	-166.8	51.5	0	0	0	0	116
278	S	31.2	Very low	30.4	Very low	25 Å²	25	104.9 Å²	104.9	18%	0.175	55%	0.546	C	S	.	.	S	Bend	trans	-106.3	1.3	-178.3	51	0	0	0	0	115.3	L275 Q281 M282	L275-S278 WeakPolarHBondContact CD2-OG 3.35Å; S278-Q281 PolarHBondContact O-N 3.26Å; S278-M282 PolarHBondContact O-N 3.04Å
279	R	37.1	Very low	31	Very low	101 Å²	101	100.2 Å²	100.2	38%	0.381	53%	0.532	S	S	.	.	H	α-helix	trans	-60.2	-44.1	-176.2	-66	-177	180	-172.4	-10.2	115	L275 M282 S283 E376	L275-R279 PolarHBondContact O-NE 3.03Å; R279-M282 PolarHBondContact O-N 3.17Å; R279-S283 PolarHBondContact O-N 2.8Å; R279-E376 IonicContact CZ-OE1 3.96Å; R279-E376 IonicContact NE-OE1 3.52Å; R279-E376 IonicContact NH1-OE1 3.56Å; R279-E376 PolarHBondContact NH1-OE1 2.9Å
280	P	30.4	Very low	32.3	Very low	79 Å²	79	95.6 Å²	95.6	51%	0.513	53%	0.533	S	S	.	.	H	α-helix	trans	-74.9	-25.3	179.6	-14.5	29.4	0	0	0	114	M282 S283 R284	P280-M282 VanDerWaalsContact C-N 3.31Å; P280-S283 PolarHBondContact O-OG 3.4Å; P280-R284 PolarHBondContact O-N 2.67Å
281	Q	31	Very low	34	Very low	127 Å²	127	92.5 Å²	92.5	59%	0.593	51%	0.512	S	S	*	.	H	α-helix	trans	-72	-31.1	174.1	-74.1	178.8	-16.5	0	0	110.8	S278 R284 L285	S278-Q281 PolarHBondContact O-N 3.26Å; Q281-R284 PolarHBondContact O-N 2.8Å; Q281-L285 WeakPolarHBondContact O-CB 3.44Å; Q281-L285 VanDerWaalsContact O-CG 3.3Å; Q281-L285 WeakPolarHBondContact O-CG 3.22Å; Q281-L285 PolarHBondContact O-N 3.08Å
282	M	34.9	Very low	36.1	Very low	34 Å²	34	90.6 Å²	90.6	17%	0.167	49%	0.494	C	S	.	.	H	α-helix	trans	-70.8	-44.6	179.9	-169.6	170.8	-168.6	0	0	113.1	S278 R279 P280 R284 L285 L286 L317 T320	S278-M282 PolarHBondContact O-N 3.04Å; R279-M282 PolarHBondContact O-N 3.17Å; P280-M282 VanDerWaalsContact C-N 3.31Å; M282-R284 VanDerWaalsContact C-N 3.26Å; M282-R284 PolarHBondContact O-N 3.09Å; M282-L285 PolarHBondContact O-N 2.94Å; M282-L286 HydrophobicContact CG-CD1 4.32Å; M282-L286 PolarHBondContact O-N 3.16Å; M282-L317 HydrophobicContact CE-CB 4.33Å; M282-L317 HydrophobicContact CE-CD2 3.41Å; M282-L317 VanDerWaalsContact CE-CD2 3.41Å; M282-L317 HydrophobicContact CE-CG 4.48Å; M282-L317 HydrophobicContact CG-CD2 4.43Å; M282-L317 HydrophobicContact SD-CD2 3.38Å; M282-L317 WeakPolarHBondContact SD-CD2 3.46Å; M282-T320 HydrophobicContact CE-CG2 4.5Å
283	S	35.1	Very low	38.3	Very low	62 Å²	62	86.2 Å²	86.2	43%	0.434	47%	0.472	S	S	.	.	H	α-helix	trans	-61.8	-37.3	172.7	61.8	0	0	0	0	111.3	R279 P280 S287	R279-S283 PolarHBondContact O-N 2.8Å; P280-S283 PolarHBondContact O-OG 3.4Å; S283-S287 VanDerWaalsContact O-CB 3.23Å; S283-S287 WeakPolarHBondContact O-CB 3.49Å; S283-S287 PolarHBondContact O-N 3.01Å; S283-S287 PolarHBondContact O-OG 3.06Å
284	R	31.6	Very low	40.4	Very low	161 Å²	161	81.3 Å²	81.3	61%	0.608	44%	0.44	S	S	*	.	H	α-helix	trans	-63.8	-48.5	171.9	-77.6	-175.7	-166.2	161.1	5.5	112.8	P280 Q281 M282 L286 S287 Q288	P280-R284 PolarHBondContact O-N 2.67Å; Q281-R284 PolarHBondContact O-N 2.8Å; M282-R284 VanDerWaalsContact C-N 3.26Å; M282-R284 PolarHBondContact O-N 3.09Å; R284-L286 VanDerWaalsContact C-N 3.3Å; R284-L286 PolarHBondContact O-N 3.42Å; R284-S287 VanDerWaalsContact CA-OG 3.31Å; R284-S287 WeakPolarHBondContact CA-OG 3.07Å; R284-S287 CarbonylContact O-C 3.59Å; R284-S287 PolarHBondContact O-N 2.81Å; R284-S287 PolarHBondContact O-OG 3.33Å; R284-Q288 VanDerWaalsContact O-CB 3.25Å; R284-Q288 WeakPolarHBondContact O-CB 3.32Å; R284-Q288 WeakPolarHBondContact O-CG 3.47Å; R284-Q288 PolarHBondContact O-N 2.78Å
285	L	32	Very low	42.4	Very low	115 Å²	115	72.3 Å²	72.3	60%	0.602	40%	0.402	S	S	*	.	H	α-helix	trans	-62.1	-37.1	-179.3	-77.1	169.3	0	0	0	112.3	Q281 M282 Q288 S289	Q281-L285 WeakPolarHBondContact O-CB 3.44Å; Q281-L285 VanDerWaalsContact O-CG 3.3Å; Q281-L285 WeakPolarHBondContact O-CG 3.22Å; Q281-L285 PolarHBondContact O-N 3.08Å; M282-L285 PolarHBondContact O-N 2.94Å; L285-Q288 PolarHBondContact O-N 3.32Å; L285-S289 WeakPolarHBondContact O-CB 3.32Å; L285-S289 PolarHBondContact O-N 3.29Å; L285-S289 PolarHBondContact O-OG 2.9Å
286	L	39	Very low	44.3	Very low	47 Å²	47	72 Å²	72	25%	0.246	40%	0.401	C	S	.	.	H	α-helix	trans	-76.6	-34.3	175.6	-73.8	165.4	0	0	0	112.8	M282 R284 Q288 S289 L374	M282-L286 HydrophobicContact CG-CD1 4.32Å; M282-L286 PolarHBondContact O-N 3.16Å; R284-L286 VanDerWaalsContact C-N 3.3Å; R284-L286 PolarHBondContact O-N 3.42Å; L286-Q288 PolarHBondContact O-N 3.32Å; L286-S289 WeakPolarHBondContact CA-OG 3.43Å; L286-S289 VanDerWaalsContact O-O 3.06Å; L286-S289 PolarHBondContact O-OG 2.65Å; L286-L374 HydrophobicContact CD1-CD1 3.29Å
287	S	36.9	Very low	46	Very low	96 Å²	96	68.3 Å²	68.3	67%	0.671	37%	0.373	S	S	*	.	H	α-helix	trans	-68.5	-24.5	170.2	72.8	0	0	0	0	113	S283 R284	S283-S287 VanDerWaalsContact O-CB 3.23Å; S283-S287 WeakPolarHBondContact O-CB 3.49Å; S283-S287 PolarHBondContact O-N 3.01Å; S283-S287 PolarHBondContact O-OG 3.06Å; R284-S287 VanDerWaalsContact CA-OG 3.31Å; R284-S287 WeakPolarHBondContact CA-OG 3.07Å; R284-S287 CarbonylContact O-C 3.59Å; R284-S287 PolarHBondContact O-N 2.81Å; R284-S287 PolarHBondContact O-OG 3.33Å
288	Q	31.9	Very low	47.4	Very low	145 Å²	145	62.4 Å²	62.4	68%	0.678	34%	0.337	S	S	*	.	H	α-helix	trans	-90.5	-28.6	177.2	-75.4	177.4	-6	0	0	112.4	R284 L285 L286 G290	R284-Q288 VanDerWaalsContact O-CB 3.25Å; R284-Q288 WeakPolarHBondContact O-CB 3.32Å; R284-Q288 WeakPolarHBondContact O-CG 3.47Å; R284-Q288 PolarHBondContact O-N 2.78Å; L285-Q288 PolarHBondContact O-N 3.32Å; L286-Q288 PolarHBondContact O-N 3.32Å; Q288-G290 PolarHBondContact O-N 2.9Å
289	S	40	Very low	48.8	Very low	53 Å²	53	66.7 Å²	66.7	37%	0.371	35%	0.349	S	S	.	.	S	Bend	trans	-69.9	118.6	170.6	67.5	0	0	0	0	107.6	L285 L286	L285-S289 WeakPolarHBondContact O-CB 3.32Å; L285-S289 PolarHBondContact O-N 3.29Å; L285-S289 PolarHBondContact O-OG 2.9Å; L286-S289 WeakPolarHBondContact CA-OG 3.43Å; L286-S289 VanDerWaalsContact O-O 3.06Å; L286-S289 PolarHBondContact O-OG 2.65Å
290	G	53.2	Low	49.8	Very low	59 Å²	59	63.2 Å²	63.2	61%	0.608	34%	0.34	S	S	*	.			trans	-56.1	-179.5	170.3	0	0	0	0	0	112.3	Q288 I292	Q288-G290 PolarHBondContact O-N 2.9Å; G290-I292 PolarHBondContact O-N 2.9Å
291	R	61.8	Low	50.9	Low	59 Å²	59	61.1 Å²	61.1	22%	0.223	32%	0.324	C	S	.	.			trans	-37.7	125	174	-81.6	-179	175.3	166	-4.9	112.5	S293 C367 N370 E408 Q540	R291-S293 PolarHBondContact O-N 3.36Å; R291-C367 HydrophobicContact CB-CB 3.76Å; R291-C367 HydrophobicContact CG-CB 4.22Å; R291-N370 WeakPolarHBondContact CG-OD1 3.48Å; R291-E408 IonicContact CZ-OE1 3.51Å; R291-E408 IonicContact NE-OE1 2.57Å; R291-E408 IonicContact NH2-OE1 3.17Å; R291-E408 PolarHBondContact NH2-OE1 3.34Å; R291-E408 IonicContact NH2-OE2 2.59Å; R291-E408 PolarHBondContact NH2-OE2 3.27Å; R291-Q540 PolarHBondContact NH1-O 2.76Å
292	I	68	Low	51.9	Low	51 Å²	51	56.4 Å²	56.4	26%	0.262	31%	0.305	S	S	.	.			trans	-76.9	117.4	175	-65.4	166.9	0	0	0	108.2	G290 D296 I325 C367 A368	G290-I292 PolarHBondContact O-N 2.9Å; I292-D296 HydrophobicContact CG2-CB 4.4Å; I292-I325 HydrophobicContact CB-CD1 4.11Å; I292-I325 HydrophobicContact CD1-CD1 3.69Å; I292-I325 HydrophobicContact CG1-CD1 4.5Å; I292-I325 HydrophobicContact CG2-CD1 3.94Å; I292-C367 VanDerWaalsContact O-CA 3.28Å; I292-C367 WeakPolarHBondContact O-CA 3.49Å; I292-A368 PolarHBondContact O-N 3.28Å
293	S	72.9	Confident	52.6	Low	6 Å²	6	62.1 Å²	62.1	4%	0.042	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-73.7	155.4	174.2	72.6	0	0	0	0	111.3	R291 G295 D296 Y297 I366	R291-S293 PolarHBondContact O-N 3.36Å; S293-G295 PolarHBondContact O-N 3.33Å; S293-D296 PolarHBondContact O-N 3.45Å; S293-D296 WeakPolarHBondContact OG-CB 3.38Å; S293-D296 PolarHBondContact OG-N 2.87Å; S293-D296 PolarHBondContact OG-OD2 3.05Å; S293-Y297 WeakPolarHBondContact O-CB 3.49Å; S293-Y297 PolarHBondContact O-N 2.77Å; S293-I366 CarbonylContact C-O 3.58Å; S293-I366 VanDerWaalsContact CA-O 3.22Å; S293-I366 WeakPolarHBondContact CA-O 3.35Å
294	A	71	Confident	53.2	Low	3 Å²	3	61 Å²	61	3%	0.025	31%	0.314	C	S	.	.	H	α-helix	trans	-60.2	-34.5	173.3	0	0	0	0	0	111.4	I52 A298 F330 S363 I366	I52-A294 HydrophobicContact CD1-CB 3.67Å; A294-A298 WeakPolarHBondContact O-CB 3.5Å; A294-A298 PolarHBondContact O-N 2.59Å; A294-F330 HydrophobicContact CB-CD1 3.82Å; A294-F330 HydrophobicContact CB-CE1 4.06Å; A294-F330 HydrophobicContact CB-CG 4.09Å; A294-S363 PolarHBondContact N-O 2.83Å; A294-I366 HydrophobicContact CB-CB 4.31Å; A294-I366 HydrophobicContact CB-CG2 4.11Å; A294-I366 PolarHBondContact N-O 3.48Å
295	G	67.6	Low	54	Low	4 Å²	4	55.5 Å²	55.5	4%	0.041	30%	0.303	C	S	.	.	H	α-helix	trans	-62.4	-46.5	172.8	0	0	0	0	0	112.7	S293 A298 R299 S363	S293-G295 PolarHBondContact O-N 3.33Å; G295-A298 PolarHBondContact O-N 3.5Å; G295-R299 WeakPolarHBondContact O-CB 3.3Å; G295-R299 VanDerWaalsContact O-CG 3.3Å; G295-R299 WeakPolarHBondContact O-CG 3.37Å; G295-R299 PolarHBondContact O-N 3.26Å; G295-S363 PolarHBondContact N-O 2.94Å
296	D	67.6	Low	54.8	Low	66 Å²	66	52.4 Å²	52.4	35%	0.353	29%	0.291	S	S	.	.	H	α-helix	trans	-65.4	-43.1	176.1	-69.1	-41.4	0	0	0	112.5	I292 S293 A298 R299 S300	I292-D296 HydrophobicContact CG2-CB 4.4Å; S293-D296 PolarHBondContact O-N 3.45Å; S293-D296 WeakPolarHBondContact OG-CB 3.38Å; S293-D296 PolarHBondContact OG-N 2.87Å; S293-D296 PolarHBondContact OG-OD2 3.05Å; D296-A298 VanDerWaalsContact C-N 3.31Å; D296-A298 PolarHBondContact O-N 3.47Å; D296-R299 PolarHBondContact O-N 2.84Å; D296-R299 IonicContact OD1-CZ 3.49Å; D296-R299 IonicContact OD1-NE 3.6Å; D296-R299 IonicContact OD1-NH2 2.66Å; D296-R299 PolarHBondContact OD1-NH2 2.67Å; D296-S300 WeakPolarHBondContact O-CB 3.48Å; D296-S300 PolarHBondContact O-N 3.49Å; D296-S300 PolarHBondContact O-OG 3.47Å
297	Y	63.5	Low	55.2	Low	17 Å²	17	53.3 Å²	53.3	7%	0.067	30%	0.298	C	S	.	.	H	α-helix	trans	-56.3	-49	176.8	177.7	-105.1	0	0	0	110.8	L51 S293 S300 I301 I322 I325 F330	L51-Y297 HydrophobicContact CD2-CD1 4.42Å; L51-Y297 HydrophobicContact CD2-CE1 4.29Å; S293-Y297 WeakPolarHBondContact O-CB 3.49Å; S293-Y297 PolarHBondContact O-N 2.77Å; Y297-S300 WeakPolarHBondContact O-CA 3.28Å; Y297-S300 VanDerWaalsContact O-CB 3.3Å; Y297-S300 WeakPolarHBondContact O-CB 3.33Å; Y297-S300 PolarHBondContact O-N 2.85Å; Y297-S300 VanDerWaalsContact O-N 3.15Å; Y297-I301 HydrophobicContact CD1-CD1 3.84Å; Y297-I301 HydrophobicContact CE1-CD1 3.3Å; Y297-I301 HydrophobicContact CE1-CG1 4.36Å; Y297-I301 HydrophobicContact CE2-CD1 4.47Å; Y297-I301 PolarHBondContact O-N 3.26Å; Y297-I322 HydrophobicContact CE2-CB 4.19Å; Y297-I322 HydrophobicContact CE2-CG1 4.4Å; Y297-I322 HydrophobicContact CE2-CG2 3.73Å; Y297-I322 PolarHBondContact OH-O 2.64Å; Y297-I325 HydrophobicContact CD2-CB 4.21Å; Y297-I325 HydrophobicContact CD2-CD1 4Å; Y297-I325 HydrophobicContact CE2-CB 3.82Å; Y297-I325 HydrophobicContact CE2-CD1 4.4Å; Y297-I325 HydrophobicContact CE2-CG2 4.38Å; Y297-I325 PolarHBondContact OH-O 2.94Å; Y297-F330 AromaticContact CD1-CE2 3.57Å; Y297-F330 HydrophobicContact CD1-CE2 3.57Å; Y297-F330 HydrophobicContact CD1-CZ 4.05Å; Y297-F330 HydrophobicContact CD2-CE2 4.3Å; Y297-F330 HydrophobicContact CD2-CZ 4.24Å; Y297-F330 HydrophobicContact CE1-CE2 4Å; Y297-F330 AromaticContact CG-CE2 3.73Å; Y297-F330 HydrophobicContact CG-CE2 3.73Å; Y297-F330 AromaticContact CG-CZ 3.74Å; Y297-F330 HydrophobicContact CG-CZ 3.74Å
298	A	58.7	Low	55.4	Low	1 Å²	1	54.1 Å²	54.1	1%	0.008	30%	0.3	C	S	.	.	H	α-helix	trans	-79.1	-30.5	-176	0	0	0	0	0	113.6	V48 A294 G295 D296 S300 I301 S302	V48-A298 HydrophobicContact CB-CB 3.66Å; V48-A298 HydrophobicContact CG1-CB 3.12Å; V48-A298 HydrophobicContact CG2-CB 3.22Å; A294-A298 WeakPolarHBondContact O-CB 3.5Å; A294-A298 PolarHBondContact O-N 2.59Å; G295-A298 PolarHBondContact O-N 3.5Å; D296-A298 VanDerWaalsContact C-N 3.31Å; D296-A298 PolarHBondContact O-N 3.47Å; A298-S300 PolarHBondContact O-N 2.92Å; A298-I301 PolarHBondContact O-N 2.95Å; A298-S302 PolarHBondContact O-N 2.97Å
299	R	61.4	Low	55.8	Low	115 Å²	115	52 Å²	52	43%	0.434	30%	0.3	S	S	.	.	H	α-helix	trans	-59.7	-34.4	164.5	-77.6	-172.5	-70.2	-142.1	-2.5	111.6	G295 D296 S302 R303	G295-R299 WeakPolarHBondContact O-CB 3.3Å; G295-R299 VanDerWaalsContact O-CG 3.3Å; G295-R299 WeakPolarHBondContact O-CG 3.37Å; G295-R299 PolarHBondContact O-N 3.26Å; D296-R299 PolarHBondContact O-N 2.84Å; D296-R299 IonicContact OD1-CZ 3.49Å; D296-R299 IonicContact OD1-NE 3.6Å; D296-R299 IonicContact OD1-NH2 2.66Å; D296-R299 PolarHBondContact OD1-NH2 2.67Å; R299-S302 PolarHBondContact O-OG 3.36Å; R299-R303 WeakPolarHBondContact O-CB 3.46Å; R299-R303 VanDerWaalsContact O-CG 3.25Å; R299-R303 WeakPolarHBondContact O-CG 3.17Å; R299-R303 PolarHBondContact O-N 2.85Å; R299-R303 VanDerWaalsContact O-N 3.08Å
300	S	57	Low	55.7	Low	28 Å²	28	58 Å²	58	20%	0.196	32%	0.32	C	S	.	.	H	α-helix	trans	-69.4	-42.8	175	-55.7	0	0	0	0	110.6	D296 Y297 A298 S302 R303 L304 L318	D296-S300 WeakPolarHBondContact O-CB 3.48Å; D296-S300 PolarHBondContact O-N 3.49Å; D296-S300 PolarHBondContact O-OG 3.47Å; Y297-S300 WeakPolarHBondContact O-CA 3.28Å; Y297-S300 VanDerWaalsContact O-CB 3.3Å; Y297-S300 WeakPolarHBondContact O-CB 3.33Å; Y297-S300 PolarHBondContact O-N 2.85Å; Y297-S300 VanDerWaalsContact O-N 3.15Å; A298-S300 PolarHBondContact O-N 2.92Å; S300-S302 PolarHBondContact O-N 3.44Å; S300-R303 PolarHBondContact O-N 3.24Å; S300-L304 WeakPolarHBondContact O-CB 3.49Å; S300-L304 PolarHBondContact O-N 2.78Å; S300-L318 WeakPolarHBondContact O-CD2 3.28Å
301	I	54.6	Low	55.1	Low	34 Å²	34	60.5 Å²	60.5	17%	0.174	33%	0.328	C	S	.	.	H	α-helix	trans	-59	-45.2	173.3	-68.3	171.6	0	0	0	111.8	Y297 A298 R303 L304 A305 I322	Y297-I301 HydrophobicContact CD1-CD1 3.84Å; Y297-I301 HydrophobicContact CE1-CD1 3.3Å; Y297-I301 HydrophobicContact CE1-CG1 4.36Å; Y297-I301 HydrophobicContact CE2-CD1 4.47Å; Y297-I301 PolarHBondContact O-N 3.26Å; A298-I301 PolarHBondContact O-N 2.95Å; I301-R303 PolarHBondContact O-N 2.83Å; I301-L304 WeakPolarHBondContact O-CA 3.41Å; I301-L304 VanDerWaalsContact O-CB 3.29Å; I301-L304 WeakPolarHBondContact O-CB 3.41Å; I301-L304 PolarHBondContact O-N 3.43Å; I301-L304 VanDerWaalsContact O-N 3.11Å; I301-A305 PolarHBondContact O-N 3.41Å; I301-I322 HydrophobicContact CD1-CG2 4.09Å; I301-I322 HydrophobicContact CG1-CD1 3.9Å; I301-I322 HydrophobicContact CG1-CG1 4.3Å; I301-I322 HydrophobicContact CG1-CG2 3.65Å
302	S	51.1	Low	54.4	Low	29 Å²	29	62 Å²	62	20%	0.203	34%	0.341	C	S	.	.	H	α-helix	trans	-66.5	-38.3	-179.6	67.7	0	0	0	0	112.6	A298 R299 S300 L304 A305 S306	A298-S302 PolarHBondContact O-N 2.97Å; R299-S302 PolarHBondContact O-OG 3.36Å; S300-S302 PolarHBondContact O-N 3.44Å; S302-L304 VanDerWaalsContact C-N 3.29Å; S302-L304 PolarHBondContact O-N 3.39Å; S302-A305 PolarHBondContact O-N 2.67Å; S302-S306 PolarHBondContact O-N 3.43Å; S302-S306 PolarHBondContact O-OG 3.2Å
303	R	50	Low	53.2	Low	154 Å²	154	63.6 Å²	63.6	58%	0.581	35%	0.347	S	S	*	.	H	α-helix	trans	-60.4	-39.1	169.6	-74.3	174.3	-174.9	172	2.7	111.9	R299 S300 I301 S306 T307 L318	R299-R303 WeakPolarHBondContact O-CB 3.46Å; R299-R303 VanDerWaalsContact O-CG 3.25Å; R299-R303 WeakPolarHBondContact O-CG 3.17Å; R299-R303 PolarHBondContact O-N 2.85Å; R299-R303 VanDerWaalsContact O-N 3.08Å; S300-R303 PolarHBondContact O-N 3.24Å; I301-R303 PolarHBondContact O-N 2.83Å; R303-S306 WeakPolarHBondContact CA-OG 3.39Å; R303-S306 PolarHBondContact O-OG 3.1Å; R303-T307 PolarHBondContact O-N 3.4Å; R303-T307 VanDerWaalsContact O-N 3.14Å; R303-T307 PolarHBondContact O-OG1 3.32Å; R303-L318 HydrophobicContact CB-CD2 4.13Å
304	L	48.2	Very low	51.5	Low	37 Å²	37	67.2 Å²	67.2	19%	0.194	37%	0.372	C	S	.	.	H	α-helix	trans	-66.3	-45.2	177.4	-153.9	117	0	0	0	112.1	S300 I301 S302 S306 T307 L318 K319 I322	S300-L304 WeakPolarHBondContact O-CB 3.49Å; S300-L304 PolarHBondContact O-N 2.78Å; I301-L304 WeakPolarHBondContact O-CA 3.41Å; I301-L304 VanDerWaalsContact O-CB 3.29Å; I301-L304 WeakPolarHBondContact O-CB 3.41Å; I301-L304 PolarHBondContact O-N 3.43Å; I301-L304 VanDerWaalsContact O-N 3.11Å; S302-L304 VanDerWaalsContact C-N 3.29Å; S302-L304 PolarHBondContact O-N 3.39Å; L304-S306 VanDerWaalsContact C-N 3.31Å; L304-S306 PolarHBondContact O-N 3.42Å; L304-T307 PolarHBondContact O-N 3.36Å; L304-T307 VanDerWaalsContact O-N 3.16Å; L304-L318 HydrophobicContact CB-CD2 4.02Å; L304-L318 HydrophobicContact CD1-CB 3.77Å; L304-L318 HydrophobicContact CD1-CD2 3.82Å; L304-L318 HydrophobicContact CD1-CG 4.15Å; L304-L318 HydrophobicContact CG-CD2 4.47Å; L304-K319 HydrophobicContact CD1-CB 4.04Å; L304-K319 HydrophobicContact CD1-CG 3.33Å; L304-K319 VanDerWaalsContact CD1-N 3.3Å; L304-K319 HydrophobicContact CD2-CG 3.77Å; L304-K319 HydrophobicContact CG-CG 3.99Å; L304-I322 HydrophobicContact CB-CD1 4.32Å; L304-I322 HydrophobicContact CD1-CD1 3.92Å
305	A	47.5	Very low	50.3	Low	46 Å²	46	67.8 Å²	67.8	38%	0.38	38%	0.377	S	S	.	.	H	α-helix	trans	-65.1	-34.8	179.4	0	0	0	0	0	112.3	I301 S302 T307	I301-A305 PolarHBondContact O-N 3.41Å; S302-A305 PolarHBondContact O-N 2.67Å; A305-T307 VanDerWaalsContact C-N 3.33Å
306	S	48.8	Very low	49.2	Very low	51 Å²	51	71.8 Å²	71.8	36%	0.357	39%	0.394	S	S	.	.	H	α-helix	trans	-77	-16.3	174.8	50.9	0	0	0	0	113.7	S302 R303 L304 T308	S302-S306 PolarHBondContact O-N 3.43Å; S302-S306 PolarHBondContact O-OG 3.2Å; R303-S306 WeakPolarHBondContact CA-OG 3.39Å; R303-S306 PolarHBondContact O-OG 3.1Å; L304-S306 VanDerWaalsContact C-N 3.31Å; L304-S306 PolarHBondContact O-N 3.42Å; S306-T308 PolarHBondContact O-N 3.29Å
307	T	46.7	Very low	48.1	Very low	65 Å²	65	71.1 Å²	71.1	40%	0.399	39%	0.391	S	S	.	.			trans	-77.1	74.1	173.3	-46.5	0	0	0	0	109.7	R303 L304 A305 A315	R303-T307 PolarHBondContact O-N 3.4Å; R303-T307 VanDerWaalsContact O-N 3.14Å; R303-T307 PolarHBondContact O-OG1 3.32Å; L304-T307 PolarHBondContact O-N 3.36Å; L304-T307 VanDerWaalsContact O-N 3.16Å; A305-T307 VanDerWaalsContact C-N 3.33Å; T307-A315 HydrophobicContact CG2-CB 3.95Å
308	T	42.2	Very low	47.2	Very low	114 Å²	114	72.6 Å²	72.6	70%	0.699	40%	0.399	S	S	*	.			trans	-80.2	131.8	166.9	46	0	0	0	0	108.5	S306	S306-T308 PolarHBondContact O-N 3.29Å
309	S	39.8	Very low	46.5	Very low	99 Å²	99	76.1 Å²	76.1	69%	0.692	42%	0.415	S	S	*	.	S	Bend	trans	82.3	118.9	167	-152.3	0	0	0	0	117.6
310	K	38.4	Very low	45.7	Very low	179 Å²	179	72.6 Å²	72.6	78%	0.778	41%	0.406	S	S	*	.	S	Bend	trans	75.3	134.1	167.3	-60.7	179.3	-179.6	178	0	117	N312	K310-N312 PolarHBondContact O-N 2.97Å
311	S	39.8	Very low	45	Very low	112 Å²	112	73 Å²	73	78%	0.783	41%	0.408	S	S	*	.			trans	-55.4	85.9	-178.7	57.6	0	0	0	0	112.6
312	N	48.3	Very low	44.7	Very low	91 Å²	91	72.4 Å²	72.4	49%	0.487	41%	0.405	S	S	.	.			trans	-93.1	124.9	166.5	-77	-15.2	0	0	0	108.5	K310 S314 A315 E316	K310-N312 PolarHBondContact O-N 2.97Å; N312-S314 PolarHBondContact O-N 2.88Å; N312-A315 WeakPolarHBondContact O-CB 3.39Å; N312-A315 PolarHBondContact O-N 3.48Å; N312-E316 PolarHBondContact O-N 3.31Å
313	H	41.5	Very low	44.5	Very low	85 Å²	85	72.7 Å²	72.7	39%	0.394	41%	0.407	S	S	.	.	H	α-helix	trans	-48.7	-36	178.2	-179.3	36.5	0	0	0	112.6	L275 E316 L317	L275-H313 WeakPolarHBondContact CD2-CE1 3.24Å; H313-E316 PolarHBondContact O-N 2.83Å; H313-L317 VanDerWaalsContact O-CG 3.24Å; H313-L317 WeakPolarHBondContact O-CG 3.27Å; H313-L317 PolarHBondContact O-N 2.83Å
314	S	38.3	Very low	44.4	Very low	82 Å²	82	66.4 Å²	66.4	57%	0.573	39%	0.386	S	S	*	.	H	α-helix	trans	-63.7	-38.2	175.8	51.5	0	0	0	0	114.2	N312 L318	N312-S314 PolarHBondContact O-N 2.88Å; S314-L318 WeakPolarHBondContact O-CB 3.3Å; S314-L318 PolarHBondContact O-N 3.12Å
315	A	46.1	Very low	44.6	Very low	14 Å²	14	65.6 Å²	65.6	12%	0.116	38%	0.381	C	S	.	.	H	α-helix	trans	-70.6	-35.8	178.3	0	0	0	0	0	111.3	T307 N312 L318 K319	T307-A315 HydrophobicContact CG2-CB 3.95Å; N312-A315 WeakPolarHBondContact O-CB 3.39Å; N312-A315 PolarHBondContact O-N 3.48Å; A315-L318 PolarHBondContact O-N 2.96Å; A315-K319 VanDerWaalsContact O-CG 3.31Å; A315-K319 WeakPolarHBondContact O-CG 3.24Å; A315-K319 PolarHBondContact O-N 3.46Å
316	E	44.8	Very low	45	Very low	88 Å²	88	65.2 Å²	65.2	41%	0.411	37%	0.373	S	S	.	.	H	α-helix	trans	-71.8	-41.1	177	-158.1	148.5	-157.2	0	0	111.7	N312 H313 L318 K319 T320	N312-E316 PolarHBondContact O-N 3.31Å; H313-E316 PolarHBondContact O-N 2.83Å; E316-L318 VanDerWaalsContact C-N 3.32Å; E316-L318 PolarHBondContact O-N 3.42Å; E316-K319 WeakPolarHBondContact O-CB 3.49Å; E316-K319 PolarHBondContact O-N 3.37Å; E316-T320 PolarHBondContact O-N 3.41Å; E316-T320 PolarHBondContact O-OG1 3.39Å; E316-T320 VanDerWaalsContact O-OG1 3.11Å
317	L	42.6	Very low	45.5	Very low	53 Å²	53	63.5 Å²	63.5	28%	0.277	36%	0.36	S	S	.	.	H	α-helix	trans	-56.7	-45.3	169	-71.3	170	0	0	0	111.7	M282 H313 T320 C321	M282-L317 HydrophobicContact CE-CB 4.33Å; M282-L317 HydrophobicContact CE-CD2 3.41Å; M282-L317 VanDerWaalsContact CE-CD2 3.41Å; M282-L317 HydrophobicContact CE-CG 4.48Å; M282-L317 HydrophobicContact CG-CD2 4.43Å; M282-L317 HydrophobicContact SD-CD2 3.38Å; M282-L317 WeakPolarHBondContact SD-CD2 3.46Å; H313-L317 VanDerWaalsContact O-CG 3.24Å; H313-L317 WeakPolarHBondContact O-CG 3.27Å; H313-L317 PolarHBondContact O-N 2.83Å; L317-T320 PolarHBondContact O-N 3.13Å; L317-C321 PolarHBondContact O-N 3.44Å; L317-C321 PolarHBondContact O-SG 3.49Å
318	L	45.8	Very low	46.1	Very low	47 Å²	47	64.6 Å²	64.6	25%	0.246	36%	0.36	C	S	.	.	H	α-helix	trans	-64.8	-38.5	178.5	-151.1	91.3	0	0	0	111.5	S300 R303 L304 S314 A315 E316 C321 I322	S300-L318 WeakPolarHBondContact O-CD2 3.28Å; R303-L318 HydrophobicContact CB-CD2 4.13Å; L304-L318 HydrophobicContact CB-CD2 4.02Å; L304-L318 HydrophobicContact CD1-CB 3.77Å; L304-L318 HydrophobicContact CD1-CD2 3.82Å; L304-L318 HydrophobicContact CD1-CG 4.15Å; L304-L318 HydrophobicContact CG-CD2 4.47Å; S314-L318 WeakPolarHBondContact O-CB 3.3Å; S314-L318 PolarHBondContact O-N 3.12Å; A315-L318 PolarHBondContact O-N 2.96Å; E316-L318 VanDerWaalsContact C-N 3.32Å; E316-L318 PolarHBondContact O-N 3.42Å; L318-C321 PolarHBondContact O-N 2.94Å; L318-I322 HydrophobicContact CD2-CD1 4.14Å; L318-I322 HydrophobicContact CG-CD1 4.1Å; L318-I322 WeakPolarHBondContact O-CB 3.12Å; L318-I322 WeakPolarHBondContact O-CD1 3.45Å; L318-I322 VanDerWaalsContact O-CG1 3.23Å; L318-I322 WeakPolarHBondContact O-CG1 3.17Å; L318-I322 PolarHBondContact O-N 3.46Å
319	K	44.2	Very low	47.2	Very low	76 Å²	76	60.6 Å²	60.6	33%	0.33	33%	0.333	S	S	.	.	H	α-helix	trans	-58.6	-49.7	173.7	-77.3	174.4	-172.5	-179.9	0	111.1	L304 A315 E316 I322 S323	L304-K319 HydrophobicContact CD1-CB 4.04Å; L304-K319 HydrophobicContact CD1-CG 3.33Å; L304-K319 VanDerWaalsContact CD1-N 3.3Å; L304-K319 HydrophobicContact CD2-CG 3.77Å; L304-K319 HydrophobicContact CG-CG 3.99Å; A315-K319 VanDerWaalsContact O-CG 3.31Å; A315-K319 WeakPolarHBondContact O-CG 3.24Å; A315-K319 PolarHBondContact O-N 3.46Å; E316-K319 WeakPolarHBondContact O-CB 3.49Å; E316-K319 PolarHBondContact O-N 3.37Å; K319-I322 PolarHBondContact O-N 2.84Å; K319-S323 WeakPolarHBondContact O-CB 3.4Å; K319-S323 PolarHBondContact O-N 3.45Å; K319-S323 PolarHBondContact O-OG 3.46Å; K319-S323 VanDerWaalsContact O-OG 3.11Å
320	T	43.3	Very low	48.7	Very low	41 Å²	41	56 Å²	56	25%	0.252	30%	0.3	S	S	.	.	H	α-helix	trans	-61.4	-46.5	178.8	-52	0	0	0	0	111.4	M282 E316 L317 I322 S323 V324 L382	M282-T320 HydrophobicContact CE-CG2 4.5Å; E316-T320 PolarHBondContact O-N 3.41Å; E316-T320 PolarHBondContact O-OG1 3.39Å; E316-T320 VanDerWaalsContact O-OG1 3.11Å; L317-T320 PolarHBondContact O-N 3.13Å; T320-I322 VanDerWaalsContact C-N 3.32Å; T320-I322 PolarHBondContact O-N 3.12Å; T320-S323 WeakPolarHBondContact CA-OG 3.43Å; T320-S323 PolarHBondContact O-N 3.26Å; T320-S323 PolarHBondContact O-OG 3.22Å; T320-V324 WeakPolarHBondContact O-CG2 3.43Å; T320-V324 PolarHBondContact O-N 3.36Å; T320-L382 HydrophobicContact CG2-CD1 3.49Å; T320-L382 VanDerWaalsContact CG2-CD1 3.49Å
321	C	43.8	Very low	50.2	Low	36 Å²	36	48.7 Å²	48.7	24%	0.243	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-37.6	178.6	-67	0	0	0	0	112.9	L317 L318	L317-C321 PolarHBondContact O-N 3.44Å; L317-C321 PolarHBondContact O-SG 3.49Å; L318-C321 PolarHBondContact O-N 2.94Å
322	I	48.4	Very low	51.8	Low	22 Å²	22	47.1 Å²	47.1	11%	0.113	25%	0.247	C	C	.	.	H	α-helix	trans	-74.9	-43.8	178.9	-68.4	165.1	0	0	0	111	Y297 I301 L304 L318 K319 T320 V324 I325	Y297-I322 HydrophobicContact CE2-CB 4.19Å; Y297-I322 HydrophobicContact CE2-CG1 4.4Å; Y297-I322 HydrophobicContact CE2-CG2 3.73Å; Y297-I322 PolarHBondContact OH-O 2.64Å; I301-I322 HydrophobicContact CD1-CG2 4.09Å; I301-I322 HydrophobicContact CG1-CD1 3.9Å; I301-I322 HydrophobicContact CG1-CG1 4.3Å; I301-I322 HydrophobicContact CG1-CG2 3.65Å; L304-I322 HydrophobicContact CB-CD1 4.32Å; L304-I322 HydrophobicContact CD1-CD1 3.92Å; L318-I322 HydrophobicContact CD2-CD1 4.14Å; L318-I322 HydrophobicContact CG-CD1 4.1Å; L318-I322 WeakPolarHBondContact O-CB 3.12Å; L318-I322 WeakPolarHBondContact O-CD1 3.45Å; L318-I322 VanDerWaalsContact O-CG1 3.23Å; L318-I322 WeakPolarHBondContact O-CG1 3.17Å; L318-I322 PolarHBondContact O-N 3.46Å; K319-I322 PolarHBondContact O-N 2.84Å; T320-I322 VanDerWaalsContact C-N 3.32Å; T320-I322 PolarHBondContact O-N 3.12Å; I322-V324 PolarHBondContact O-N 3.15Å; I322-I325 PolarHBondContact O-N 3.02Å; I322-I325 VanDerWaalsContact O-N 3.15Å
323	S	47.2	Very low	53.1	Low	34 Å²	34	45.1 Å²	45.1	24%	0.238	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-18.7	-179.4	59.2	0	0	0	0	113.5	K319 T320	K319-S323 WeakPolarHBondContact O-CB 3.4Å; K319-S323 PolarHBondContact O-N 3.45Å; K319-S323 PolarHBondContact O-OG 3.46Å; K319-S323 VanDerWaalsContact O-OG 3.11Å; T320-S323 WeakPolarHBondContact CA-OG 3.43Å; T320-S323 PolarHBondContact O-N 3.26Å; T320-S323 PolarHBondContact O-OG 3.22Å
324	V	46.1	Very low	54.8	Low	22 Å²	22	43.5 Å²	43.5	13%	0.133	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-28.8	-179.5	167.7	0	0	0	0	112.4	T320 I322 L374 L384	T320-V324 WeakPolarHBondContact O-CG2 3.43Å; T320-V324 PolarHBondContact O-N 3.36Å; I322-V324 PolarHBondContact O-N 3.15Å; V324-L374 HydrophobicContact CG1-CD2 4.13Å; V324-L374 HydrophobicContact CG2-CD2 3.8Å; V324-L384 HydrophobicContact CG1-CD1 4.21Å; V324-L384 HydrophobicContact CG1-CD2 3.35Å; V324-L384 HydrophobicContact CG1-CG 4.04Å; V324-L384 WeakPolarHBondContact O-CD1 3.44Å
325	I	52.1	Low	56.7	Low	20 Å²	20	39.8 Å²	39.8	10%	0.103	21%	0.205	C	C	.	.	S	Bend	trans	-97.9	114.6	-173.6	-58.2	174.4	0	0	0	110	I292 Y297 I322 P327 F330 A368	I292-I325 HydrophobicContact CB-CD1 4.11Å; I292-I325 HydrophobicContact CD1-CD1 3.69Å; I292-I325 HydrophobicContact CG1-CD1 4.5Å; I292-I325 HydrophobicContact CG2-CD1 3.94Å; Y297-I325 HydrophobicContact CD2-CB 4.21Å; Y297-I325 HydrophobicContact CD2-CD1 4Å; Y297-I325 HydrophobicContact CE2-CB 3.82Å; Y297-I325 HydrophobicContact CE2-CD1 4.4Å; Y297-I325 HydrophobicContact CE2-CG2 4.38Å; Y297-I325 PolarHBondContact OH-O 2.94Å; I322-I325 PolarHBondContact O-N 3.02Å; I322-I325 VanDerWaalsContact O-N 3.15Å; I325-P327 WeakPolarHBondContact O-CD 3.37Å; I325-F330 HydrophobicContact CG2-CE2 3.73Å; I325-F330 HydrophobicContact CG2-CZ 3.74Å; I325-A368 HydrophobicContact CD1-CB 4.48Å; I325-A368 HydrophobicContact CG2-CB 4.23Å
326	N	57.2	Low	58.5	Low	38 Å²	38	39.9 Å²	39.9	20%	0.203	20%	0.202	C	C	.	.			trans	-67.1	121	170.4	-175.2	-27.5	0	0	0	109.2	K328 E329	N326-K328 PolarHBondContact O-N 3.06Å; N326-K328 VanDerWaalsContact O-N 3.07Å; N326-K328 VanDerWaalsContact OD1-CB 3.32Å; N326-K328 WeakPolarHBondContact OD1-CB 3.29Å; N326-K328 WeakPolarHBondContact OD1-CG 3.23Å; N326-K328 PolarHBondContact OD1-N 2.93Å; N326-E329 HydrophobicContact CB-CG 4.05Å; N326-E329 WeakPolarHBondContact O-CB 3.23Å; N326-E329 VanDerWaalsContact O-CG 3.23Å; N326-E329 WeakPolarHBondContact O-CG 3.14Å; N326-E329 PolarHBondContact O-N 3.46Å
327	P	58.5	Low	60.3	Low	15 Å²	15	36.3 Å²	36.3	10%	0.097	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-60.9	-22.9	-177.5	24.3	-35	0	0	0	113.4	L51 I325 E329 F330	L51-P327 HydrophobicContact CD2-CB 3.55Å; L51-P327 HydrophobicContact CG-CB 4.43Å; I325-P327 WeakPolarHBondContact O-CD 3.37Å; P327-E329 PolarHBondContact O-N 3.29Å; P327-F330 PolarHBondContact O-N 2.99Å
328	K	60.6	Low	62.5	Low	89 Å²	89	33.9 Å²	33.9	39%	0.387	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-63.8	-21.5	174.2	-64.5	177.5	-179.4	171.4	0	112.8	V219 N326 F330 N331	V219-K328 HydrophobicContact CG1-CG 4.44Å; N326-K328 PolarHBondContact O-N 3.06Å; N326-K328 VanDerWaalsContact O-N 3.07Å; N326-K328 VanDerWaalsContact OD1-CB 3.32Å; N326-K328 WeakPolarHBondContact OD1-CB 3.29Å; N326-K328 WeakPolarHBondContact OD1-CG 3.23Å; N326-K328 PolarHBondContact OD1-N 2.93Å; K328-F330 VanDerWaalsContact C-N 3.27Å; K328-F330 PolarHBondContact O-N 3.13Å; K328-N331 PolarHBondContact O-N 2.61Å
329	E	64.9	Low	64.5	Low	29 Å²	29	31.9 Å²	31.9	14%	0.136	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-62.3	-33.4	177	-66.4	-66.1	145.2	0	0	112.3	N326 P327 N331 R332 S335	N326-E329 HydrophobicContact CB-CG 4.05Å; N326-E329 WeakPolarHBondContact O-CB 3.23Å; N326-E329 VanDerWaalsContact O-CG 3.23Å; N326-E329 WeakPolarHBondContact O-CG 3.14Å; N326-E329 PolarHBondContact O-N 3.46Å; P327-E329 PolarHBondContact O-N 3.29Å; E329-N331 VanDerWaalsContact C-N 3.25Å; E329-N331 PolarHBondContact O-N 2.91Å; E329-R332 PolarHBondContact O-N 3.18Å; E329-R332 IonicContact OE1-CZ 2.81Å; E329-R332 IonicContact OE1-NE 3.01Å; E329-R332 IonicContact OE1-NH1 2.83Å; E329-R332 PolarHBondContact OE1-NH1 3.44Å; E329-R332 IonicContact OE1-NH2 3.9Å; E329-R332 PolarHBondContact OE1-NH2 2.98Å; E329-R332 IonicContact OE2-CZ 2.85Å; E329-R332 IonicContact OE2-NE 2.94Å; E329-R332 IonicContact OE2-NH1 2.67Å; E329-R332 PolarHBondContact OE2-NH1 2.82Å; E329-R332 IonicContact OE2-NH2 3.73Å; E329-S335 WeakPolarHBondContact O-CB 3.09Å; E329-S335 PolarHBondContact O-OG 3.4Å
330	F	71.4	Confident	66.6	Low	2 Å²	2	29.2 Å²	29.2	1%	0.009	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-69.3	-21	-180	-64.7	-62.5	0	0	0	113.5	L51 A294 Y297 I325 P327 K328 R332 I366 A368	L51-F330 HydrophobicContact CD2-CD2 3.71Å; L51-F330 HydrophobicContact CD2-CE2 4.25Å; A294-F330 HydrophobicContact CB-CD1 3.82Å; A294-F330 HydrophobicContact CB-CE1 4.06Å; A294-F330 HydrophobicContact CB-CG 4.09Å; Y297-F330 AromaticContact CD1-CE2 3.57Å; Y297-F330 HydrophobicContact CD1-CE2 3.57Å; Y297-F330 HydrophobicContact CD1-CZ 4.05Å; Y297-F330 HydrophobicContact CD2-CE2 4.3Å; Y297-F330 HydrophobicContact CD2-CZ 4.24Å; Y297-F330 HydrophobicContact CE1-CE2 4Å; Y297-F330 AromaticContact CG-CE2 3.73Å; Y297-F330 HydrophobicContact CG-CE2 3.73Å; Y297-F330 AromaticContact CG-CZ 3.74Å; Y297-F330 HydrophobicContact CG-CZ 3.74Å; I325-F330 HydrophobicContact CG2-CE2 3.73Å; I325-F330 HydrophobicContact CG2-CZ 3.74Å; P327-F330 PolarHBondContact O-N 2.99Å; K328-F330 VanDerWaalsContact C-N 3.27Å; K328-F330 PolarHBondContact O-N 3.13Å; F330-R332 VanDerWaalsContact C-N 3.32Å; F330-R332 PolarHBondContact O-N 3.33Å; F330-I366 HydrophobicContact CB-CG2 3.76Å; F330-I366 HydrophobicContact CD1-CG2 3.82Å; F330-I366 HydrophobicContact CG-CG2 4.25Å; F330-I366 WeakPolarHBondContact O-CG2 3.47Å; F330-A368 HydrophobicContact CE1-CB 4.1Å
331	N	69.3	Low	68.7	Low	26 Å²	26	27.5 Å²	27.5	14%	0.139	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-86.2	-0.3	-179.6	-75.9	-61.8	0	0	0	113.9	L51 Y131 I194 K328 E329	L51-N331 PolarHBondContact O-ND2 3.23Å; L51-N331 PolarHBondContact O-OD1 3.39Å; Y131-N331 PolarHBondContact OH-O 2.77Å; I194-N331 HydrophobicContact CD1-CB 4.44Å; I194-N331 HydrophobicContact CG1-CB 4.11Å; I194-N331 WeakPolarHBondContact CG2-ND2 3.38Å; K328-N331 PolarHBondContact O-N 2.61Å; E329-N331 VanDerWaalsContact C-N 3.25Å; E329-N331 PolarHBondContact O-N 2.91Å
332	R	73.6	Confident	70.7	Confident	80 Å²	80	26.7 Å²	26.7	30%	0.302	14%	0.138	S	C	.	.	S	Bend	trans	-82	155.4	-177.1	-66.6	-175.4	175.2	158.4	11	113.5	Y131 E329 F330 F334 S335 Q401	Y131-R332 PolarHBondContact OH-O 2.59Å; E329-R332 PolarHBondContact O-N 3.18Å; E329-R332 IonicContact OE1-CZ 2.81Å; E329-R332 IonicContact OE1-NE 3.01Å; E329-R332 IonicContact OE1-NH1 2.83Å; E329-R332 PolarHBondContact OE1-NH1 3.44Å; E329-R332 IonicContact OE1-NH2 3.9Å; E329-R332 PolarHBondContact OE1-NH2 2.98Å; E329-R332 IonicContact OE2-CZ 2.85Å; E329-R332 IonicContact OE2-NE 2.94Å; E329-R332 IonicContact OE2-NH1 2.67Å; E329-R332 PolarHBondContact OE2-NH1 2.82Å; E329-R332 IonicContact OE2-NH2 3.73Å; F330-R332 VanDerWaalsContact C-N 3.32Å; F330-R332 PolarHBondContact O-N 3.33Å; R332-F334 PolarHBondContact O-N 3.19Å; R332-S335 VanDerWaalsContact O-CB 3.32Å; R332-S335 WeakPolarHBondContact O-CB 3.37Å; R332-S335 PolarHBondContact O-N 3Å; R332-Q401 VanDerWaalsContact CZ-CG 3.46Å
333	P	74.5	Confident	72.4	Confident	49 Å²	49	25.8 Å²	25.8	32%	0.318	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-59.1	-51.1	-169.8	-31	35.7	0	0	0	114.2	V127 Y131 S335 R336 I339	V127-P333 HydrophobicContact CG1-CB 4.01Å; Y131-P333 VanDerWaalsContact CE2-CA 3.41Å; Y131-P333 HydrophobicContact CE2-CB 3.5Å; Y131-P333 VanDerWaalsContact CE2-CB 3.5Å; Y131-P333 HydrophobicContact CE2-CG 3.56Å; Y131-P333 VanDerWaalsContact CZ-CA 3.5Å; Y131-P333 WeakPolarHBondContact OH-CA 3.37Å; Y131-P333 WeakPolarHBondContact OH-CD 3.24Å; Y131-P333 VanDerWaalsContact OH-CG 3.29Å; Y131-P333 WeakPolarHBondContact OH-CG 3.32Å; P333-S335 VanDerWaalsContact C-N 3.26Å; P333-S335 PolarHBondContact O-N 3.5Å; P333-R336 PolarHBondContact O-N 3.29Å; P333-I339 WeakPolarHBondContact O-CB 3.31Å; P333-I339 WeakPolarHBondContact O-CG1 3.24Å
334	F	77.6	Confident	74.4	Confident	50 Å²	50	25.3 Å²	25.3	22%	0.219	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-82.2	-6.9	-174.6	-66.3	-72.9	0	0	0	113	R332 R336 I339 V405 M409 T543	R332-F334 PolarHBondContact O-N 3.19Å; F334-R336 PolarHBondContact O-N 3.33Å; F334-I339 HydrophobicContact CD1-CG2 4.29Å; F334-V405 HydrophobicContact CB-CG2 4.22Å; F334-V405 HydrophobicContact CD2-CG1 4.01Å; F334-V405 HydrophobicContact CD2-CG2 4.01Å; F334-V405 HydrophobicContact CE2-CG1 4.23Å; F334-V405 HydrophobicContact CG-CG1 4.27Å; F334-V405 HydrophobicContact CG-CG2 4.34Å; F334-M409 HydrophobicContact CD1-CE 4.22Å; F334-M409 HydrophobicContact CE1-CE 3.57Å; F334-M409 HydrophobicContact CE2-CE 4.42Å; F334-M409 HydrophobicContact CZ-CE 3.69Å; F334-T543 HydrophobicContact CD1-CG2 3.88Å; F334-T543 HydrophobicContact CE1-CG2 4.29Å
335	S	78.1	Confident	76.4	Confident	5 Å²	5	24.4 Å²	24.4	4%	0.035	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-67	-25.2	169.3	-57.7	0	0	0	0	111.2	E329 R332 P333 I366 C367	E329-S335 WeakPolarHBondContact O-CB 3.09Å; E329-S335 PolarHBondContact O-OG 3.4Å; R332-S335 VanDerWaalsContact O-CB 3.32Å; R332-S335 WeakPolarHBondContact O-CB 3.37Å; R332-S335 PolarHBondContact O-N 3Å; P333-S335 VanDerWaalsContact C-N 3.26Å; P333-S335 PolarHBondContact O-N 3.5Å; S335-I366 CarbonylContact O-C 3.53Å; S335-I366 WeakPolarHBondContact O-CA 3.29Å; S335-C367 WeakPolarHBondContact CA-O 3.19Å; S335-C367 WeakPolarHBondContact CB-O 3.39Å; S335-C367 PolarHBondContact O-N 2.87Å
336	R	83.6	Confident	77.9	Confident	15 Å²	15	27 Å²	27	6%	0.057	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-88.2	116	175.7	-156.4	-179	81.1	-173	1.7	110.4	G130 P333 F334 D338 I339 I366	G130-R336 VanDerWaalsContact O-CZ 3.23Å; G130-R336 PolarHBondContact O-NH1 2.87Å; G130-R336 PolarHBondContact O-NH2 2.76Å; P333-R336 PolarHBondContact O-N 3.29Å; F334-R336 PolarHBondContact O-N 3.33Å; R336-D338 VanDerWaalsContact C-N 3.26Å; R336-D338 VanDerWaalsContact CD-OD1 3.31Å; R336-D338 WeakPolarHBondContact CD-OD1 3.49Å; R336-D338 VanDerWaalsContact CG-OD1 3.24Å; R336-D338 WeakPolarHBondContact CG-OD1 3.42Å; R336-D338 IonicContact CZ-OD1 3.47Å; R336-D338 IonicContact NE-OD1 3.05Å; R336-D338 PolarHBondContact NE-OD1 3.35Å; R336-D338 IonicContact NH2-OD1 2.67Å; R336-D338 PolarHBondContact O-N 2.83Å; R336-I339 HydrophobicContact CB-CB 4.36Å; R336-I339 VanDerWaalsContact NH2-CD1 3.33Å; R336-I339 WeakPolarHBondContact O-CB 3.27Å; R336-I339 VanDerWaalsContact O-CG2 3.28Å; R336-I339 WeakPolarHBondContact O-CG2 3.39Å; R336-I339 PolarHBondContact O-N 3.18Å; R336-I366 HydrophobicContact CB-CG1 4.01Å; R336-I366 HydrophobicContact CG-CD1 4.32Å; R336-I366 HydrophobicContact CG-CG1 3.62Å
337	Q	83.9	Confident	79.3	Confident	14 Å²	14	28.3 Å²	28.3	7%	0.065	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-26.1	-172.3	-66.4	-175.8	-0.3	0	0	114.1	T365 C367	Q337-T365 WeakPolarHBondContact CG-O 3.36Å; Q337-T365 PolarHBondContact N-O 3.46Å; Q337-C367 PolarHBondContact NE2-SG 3.31Å
338	D	88.7	Confident	80.7	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	11.9	-179.3	75.6	-10.3	0	0	0	113.4	R137 R336 L340 Y341 Y361 L539	R137-D338 IonicContact CZ-OD1 3.48Å; R137-D338 IonicContact CZ-OD2 3.56Å; R137-D338 VanDerWaalsContact CZ-OD2 3.3Å; R137-D338 PolarHBondContact NH1-O 2.97Å; R137-D338 VanDerWaalsContact NH1-O 3.16Å; R137-D338 IonicContact NH1-OD1 3.46Å; R137-D338 IonicContact NH1-OD2 2.76Å; R137-D338 PolarHBondContact NH1-OD2 3.42Å; R137-D338 IonicContact NH2-OD1 3.54Å; R137-D338 IonicContact NH2-OD2 2.66Å; R137-D338 PolarHBondContact NH2-OD2 2.96Å; R336-D338 VanDerWaalsContact C-N 3.26Å; R336-D338 VanDerWaalsContact CD-OD1 3.31Å; R336-D338 WeakPolarHBondContact CD-OD1 3.49Å; R336-D338 VanDerWaalsContact CG-OD1 3.24Å; R336-D338 WeakPolarHBondContact CG-OD1 3.42Å; R336-D338 IonicContact CZ-OD1 3.47Å; R336-D338 IonicContact NE-OD1 3.05Å; R336-D338 PolarHBondContact NE-OD1 3.35Å; R336-D338 IonicContact NH2-OD1 2.67Å; R336-D338 PolarHBondContact O-N 2.83Å; D338-L340 VanDerWaalsContact C-N 3.28Å; D338-L340 PolarHBondContact O-N 2.93Å; D338-Y341 VanDerWaalsContact O-CB 3.27Å; D338-Y341 WeakPolarHBondContact O-CB 3.29Å; D338-Y341 PolarHBondContact O-N 3.49Å; D338-Y361 WeakPolarHBondContact CB-OH 3.32Å; D338-Y361 WeakPolarHBondContact OD2-CE1 3.36Å; D338-Y361 PolarHBondContact OD2-OH 2.99Å; D338-L539 HydrophobicContact CB-CD1 3.62Å; D338-L539 HydrophobicContact CB-CD2 4.09Å; D338-L539 HydrophobicContact CB-CG 4.17Å
339	I	87.8	Confident	81.9	Confident	5 Å²	5	29.6 Å²	29.6	3%	0.026	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-33	-171.6	-167.4	60.6	0	0	0	113.6	V127 Y131 P333 F334 R336	V127-I339 HydrophobicContact CB-CG1 4.49Å; V127-I339 HydrophobicContact CG1-CD1 4.15Å; V127-I339 HydrophobicContact CG1-CG1 3.73Å; V127-I339 HydrophobicContact CG2-CG1 4.46Å; Y131-I339 HydrophobicContact CD2-CD1 3.79Å; Y131-I339 HydrophobicContact CE2-CD1 4.05Å; Y131-I339 HydrophobicContact CG-CD1 4.47Å; P333-I339 WeakPolarHBondContact O-CB 3.31Å; P333-I339 WeakPolarHBondContact O-CG1 3.24Å; F334-I339 HydrophobicContact CD1-CG2 4.29Å; R336-I339 HydrophobicContact CB-CB 4.36Å; R336-I339 VanDerWaalsContact NH2-CD1 3.33Å; R336-I339 WeakPolarHBondContact O-CB 3.27Å; R336-I339 VanDerWaalsContact O-CG2 3.28Å; R336-I339 WeakPolarHBondContact O-CG2 3.39Å; R336-I339 PolarHBondContact O-N 3.18Å
340	L	87.1	Confident	82.9	Confident	20 Å²	20	30.6 Å²	30.6	11%	0.105	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	2.6	176.4	-63.8	177.3	0	0	0	113.3	V127 D338 G342 S530 L542 T543 F546	V127-L340 HydrophobicContact CG2-CD2 3.62Å; D338-L340 VanDerWaalsContact C-N 3.28Å; D338-L340 PolarHBondContact O-N 2.93Å; L340-G342 PolarHBondContact O-N 2.78Å; L340-S530 WeakPolarHBondContact O-CB 3.08Å; L340-L542 HydrophobicContact CB-CD2 4.11Å; L340-L542 HydrophobicContact CB-CG 4.26Å; L340-T543 HydrophobicContact CD1-CG2 4.43Å; L340-F546 HydrophobicContact CD1-CB 4.18Å; L340-F546 HydrophobicContact CD1-CD1 3.84Å; L340-F546 HydrophobicContact CD1-CG 4.16Å
341	Y	89.3	Confident	83.6	Confident	5 Å²	5	30.7 Å²	30.7	2%	0.02	16%	0.161	C	C	.	.			trans	-82.9	113.7	179.5	-177.7	-110.1	0	0	0	110.1	R137 D338 G343 S344 L348 I531 V534	R137-Y341 VanDerWaalsContact CD-O 3.24Å; R137-Y341 WeakPolarHBondContact CD-O 3.36Å; D338-Y341 VanDerWaalsContact O-CB 3.27Å; D338-Y341 WeakPolarHBondContact O-CB 3.29Å; D338-Y341 PolarHBondContact O-N 3.49Å; Y341-G343 VanDerWaalsContact CE1-O 3.31Å; Y341-G343 WeakPolarHBondContact CE1-O 3.21Å; Y341-S344 PolarHBondContact OH-O 3.38Å; Y341-L348 HydrophobicContact CD1-CD1 3.89Å; Y341-L348 HydrophobicContact CD1-CD2 4.31Å; Y341-L348 HydrophobicContact CD1-CG 4.35Å; Y341-L348 HydrophobicContact CD2-CD2 4.44Å; Y341-L348 HydrophobicContact CE1-CD1 3.85Å; Y341-L348 HydrophobicContact CE1-CD2 3.82Å; Y341-L348 HydrophobicContact CE1-CG 3.82Å; Y341-L348 HydrophobicContact CE2-CD2 3.97Å; Y341-I531 HydrophobicContact CE2-CG1 4.11Å; Y341-V534 HydrophobicContact CD2-CB 4.19Å; Y341-V534 HydrophobicContact CD2-CG2 3.58Å; Y341-V534 HydrophobicContact CE2-CB 4.2Å; Y341-V534 HydrophobicContact CE2-CG2 4.1Å; Y341-V534 HydrophobicContact CG-CG2 4.42Å
342	G	84.5	Confident	84.5	Confident	19 Å²	19	34 Å²	34	20%	0.196	18%	0.175	C	C	.	.			trans	-90.9	-6	-177.3	0	0	0	0	0	115	A138 L340 S530	A138-G342 WeakPolarHBondContact CA-O 3.2Å; L340-G342 PolarHBondContact O-N 2.78Å; G342-S530 PolarHBondContact N-OG 3.26Å
343	G	85.4	Confident	85	Confident	3 Å²	3	38.7 Å²	38.7	3%	0.031	19%	0.193	C	C	.	.	S	Bend	trans	-86.9	-175.8	-177.9	0	0	0	0	0	113.9	Y341 I345	Y341-G343 VanDerWaalsContact CE1-O 3.31Å; Y341-G343 WeakPolarHBondContact CE1-O 3.21Å; G343-I345 PolarHBondContact O-N 3.01Å
344	S	87.9	Confident	85.3	Confident	25 Å²	25	36.7 Å²	36.7	18%	0.175	18%	0.18	C	C	.	.			trans	-74	124.8	175.4	-172.4	0	0	0	0	111.1	Y341 T346 Q347	Y341-S344 PolarHBondContact OH-O 3.38Å; S344-T346 PolarHBondContact O-N 3.13Å; S344-T346 PolarHBondContact OG-OG1 3.03Å; S344-Q347 PolarHBondContact O-N 2.81Å; S344-Q347 VanDerWaalsContact O-N 3.13Å
345	I	88	Confident	85.6	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.015	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-58.7	-30.3	176.8	-60.4	172.9	0	0	0	111.1	E134 R137 G343 Q347 L348 F351 Y361	E134-I345 HydrophobicContact CB-CD1 4Å; E134-I345 HydrophobicContact CG-CD1 4.22Å; E134-I345 VanDerWaalsContact O-CD1 3.23Å; E134-I345 WeakPolarHBondContact O-CD1 3.44Å; R137-I345 VanDerWaalsContact NH2-CD1 3.26Å; G343-I345 PolarHBondContact O-N 3.01Å; I345-Q347 PolarHBondContact O-N 2.89Å; I345-L348 HydrophobicContact CG2-CD1 4.27Å; I345-L348 VanDerWaalsContact O-CB 3.31Å; I345-L348 WeakPolarHBondContact O-CB 3.3Å; I345-L348 PolarHBondContact O-N 2.86Å; I345-F351 HydrophobicContact CG2-CB 3.9Å; I345-F351 HydrophobicContact CG2-CD2 3.74Å; I345-F351 HydrophobicContact CG2-CE2 4.48Å; I345-F351 HydrophobicContact CG2-CG 3.87Å; I345-F351 VanDerWaalsContact O-CB 3.31Å; I345-F351 WeakPolarHBondContact O-CB 3.45Å; I345-Y361 HydrophobicContact CD1-CE1 4.37Å; I345-Y361 HydrophobicContact CG2-CD1 4.02Å; I345-Y361 HydrophobicContact CG2-CE1 3.52Å; I345-Y361 HydrophobicContact CG2-CE2 4.19Å
346	T	84.9	Confident	85.8	Confident	75 Å²	75	48.3 Å²	48.3	46%	0.46	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-63	-15.7	179.5	60.3	0	0	0	0	114.4	S344 F351	S344-T346 PolarHBondContact O-N 3.13Å; S344-T346 PolarHBondContact OG-OG1 3.03Å; T346-F351 HydrophobicContact CG2-CD1 4.46Å; T346-F351 HydrophobicContact CG2-CE1 3.96Å
347	Q	84.8	Confident	85.7	Confident	65 Å²	65	49.9 Å²	49.9	30%	0.304	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-90.5	-13.5	175.7	-68.9	173	36.3	0	0	113.1	S344 I345 D478	S344-Q347 PolarHBondContact O-N 2.81Å; S344-Q347 VanDerWaalsContact O-N 3.13Å; I345-Q347 PolarHBondContact O-N 2.89Å; Q347-D478 VanDerWaalsContact NE2-CB 3.25Å; Q347-D478 VanDerWaalsContact NE2-CG 3.28Å; Q347-D478 PolarHBondContact NE2-O 3.01Å; Q347-D478 PolarHBondContact NE2-OD1 3.15Å
348	L	88.6	Confident	85.6	Confident	6 Å²	6	50.4 Å²	50.4	3%	0.031	24%	0.243	C	C	.	.			trans	-71.2	132.4	178.3	-62.2	176.7	0	0	0	110.2	Y341 I345 D350 F351 Q352 Y361 V534 L539	Y341-L348 HydrophobicContact CD1-CD1 3.89Å; Y341-L348 HydrophobicContact CD1-CD2 4.31Å; Y341-L348 HydrophobicContact CD1-CG 4.35Å; Y341-L348 HydrophobicContact CD2-CD2 4.44Å; Y341-L348 HydrophobicContact CE1-CD1 3.85Å; Y341-L348 HydrophobicContact CE1-CD2 3.82Å; Y341-L348 HydrophobicContact CE1-CG 3.82Å; Y341-L348 HydrophobicContact CE2-CD2 3.97Å; I345-L348 HydrophobicContact CG2-CD1 4.27Å; I345-L348 VanDerWaalsContact O-CB 3.31Å; I345-L348 WeakPolarHBondContact O-CB 3.3Å; I345-L348 PolarHBondContact O-N 2.86Å; L348-D350 PolarHBondContact O-N 3.17Å; L348-F351 HydrophobicContact CB-CB 4.34Å; L348-F351 PolarHBondContact O-N 2.76Å; L348-F351 VanDerWaalsContact O-N 3.16Å; L348-Q352 PolarHBondContact O-N 3.37Å; L348-Y361 HydrophobicContact CD1-CE2 4.45Å; L348-Y361 WeakPolarHBondContact CD1-OH 3.5Å; L348-V534 HydrophobicContact CD2-CG1 3.51Å; L348-L539 HydrophobicContact CD1-CD1 4.16Å; L348-L539 HydrophobicContact CD1-CD2 4.22Å; L348-L539 HydrophobicContact CD2-CD1 4.36Å
349	E	85.5	Confident	85	Confident	125 Å²	125	51.9 Å²	51.9	58%	0.584	25%	0.254	S	S	*	.	H	α-helix	trans	-58.1	-36.3	173.2	-66.9	-171.5	-176.5	0	0	111.3	F351 Q352 R353	E349-F351 VanDerWaalsContact C-N 3.29Å; E349-F351 PolarHBondContact O-N 3.28Å; E349-Q352 PolarHBondContact O-N 3.38Å; E349-Q352 VanDerWaalsContact O-N 3.15Å; E349-R353 VanDerWaalsContact O-CG 3.31Å; E349-R353 WeakPolarHBondContact O-CG 3.39Å; E349-R353 PolarHBondContact O-N 3.47Å; E349-R353 IonicContact OE2-NH2 3.33Å; E349-R353 PolarHBondContact OE2-NH2 2.81Å
350	D	85.7	Confident	84.4	Confident	50 Å²	50	54.2 Å²	54.2	27%	0.267	27%	0.266	S	S	.	.	H	α-helix	trans	-61.8	-35.4	178.6	-61.1	-60.1	0	0	0	112.4	L348 S354 Y361 L539	L348-D350 PolarHBondContact O-N 3.17Å; D350-S354 PolarHBondContact O-N 3.5Å; D350-S354 VanDerWaalsContact O-N 3.15Å; D350-Y361 HydrophobicContact CB-CD2 4.45Å; D350-Y361 HydrophobicContact CB-CE2 3.99Å; D350-L539 HydrophobicContact CB-CD2 4.19Å; D350-L539 WeakPolarHBondContact OD2-CB 3.35Å; D350-L539 WeakPolarHBondContact OD2-CD2 3.39Å
351	F	87.9	Confident	84.2	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.018	26%	0.262	C	S	.	.	H	α-helix	trans	-74.3	-33.8	174.6	-178.9	-100.7	0	0	0	112.7	I345 T346 L348 E349 R353 S354 E356 F358 Y361	I345-F351 HydrophobicContact CG2-CB 3.9Å; I345-F351 HydrophobicContact CG2-CD2 3.74Å; I345-F351 HydrophobicContact CG2-CE2 4.48Å; I345-F351 HydrophobicContact CG2-CG 3.87Å; I345-F351 VanDerWaalsContact O-CB 3.31Å; I345-F351 WeakPolarHBondContact O-CB 3.45Å; T346-F351 HydrophobicContact CG2-CD1 4.46Å; T346-F351 HydrophobicContact CG2-CE1 3.96Å; L348-F351 HydrophobicContact CB-CB 4.34Å; L348-F351 PolarHBondContact O-N 2.76Å; L348-F351 VanDerWaalsContact O-N 3.16Å; E349-F351 VanDerWaalsContact C-N 3.29Å; E349-F351 PolarHBondContact O-N 3.28Å; F351-R353 VanDerWaalsContact C-N 3.33Å; F351-S354 PolarHBondContact O-N 3.27Å; F351-S354 PolarHBondContact O-OG 3.46Å; F351-E356 HydrophobicContact CD1-CB 4.44Å; F351-E356 HydrophobicContact CD1-CG 4.35Å; F351-E356 VanDerWaalsContact CE1-CA 3.49Å; F351-E356 HydrophobicContact CE1-CB 3.63Å; F351-E356 HydrophobicContact CE1-CG 3.86Å; F351-E356 VanDerWaalsContact CZ-C 3.45Å; F351-E356 VanDerWaalsContact CZ-CA 3.42Å; F351-E356 HydrophobicContact CZ-CB 3.84Å; F351-E356 VanDerWaalsContact CZ-O 3.29Å; F351-E356 WeakPolarHBondContact CZ-O 3.29Å; F351-E356 PolarHBondContact O-N 3.3Å; F351-E356 VanDerWaalsContact O-N 3.09Å; F351-F358 HydrophobicContact CE2-CD1 4.11Å; F351-F358 AromaticContact CE2-CD2 3.92Å; F351-F358 HydrophobicContact CE2-CD2 3.92Å; F351-F358 HydrophobicContact CE2-CE1 4.01Å; F351-F358 AromaticContact CE2-CE2 3.83Å; F351-F358 HydrophobicContact CE2-CE2 3.83Å; F351-F358 HydrophobicContact CE2-CG 4.05Å; F351-F358 AromaticContact CE2-CZ 3.86Å; F351-F358 HydrophobicContact CE2-CZ 3.86Å; F351-F358 HydrophobicContact CZ-CD2 4.03Å; F351-F358 HydrophobicContact CZ-CE1 4.36Å; F351-F358 AromaticContact CZ-CE2 3.56Å; F351-F358 HydrophobicContact CZ-CE2 3.56Å; F351-F358 AromaticContact CZ-CZ 3.74Å; F351-F358 HydrophobicContact CZ-CZ 3.74Å; F351-Y361 HydrophobicContact CB-CD2 3.8Å; F351-Y361 HydrophobicContact CB-CE2 3.96Å; F351-Y361 HydrophobicContact CB-CG 4.39Å; F351-Y361 HydrophobicContact CD2-CD1 4.25Å; F351-Y361 HydrophobicContact CD2-CD2 4.07Å; F351-Y361 AromaticContact CD2-CG 3.79Å; F351-Y361 HydrophobicContact CD2-CG 3.79Å; F351-Y361 HydrophobicContact CG-CD2 4.46Å
352	Q	86.7	Confident	83.9	Confident	96 Å²	96	54.5 Å²	54.5	45%	0.449	27%	0.266	S	S	.	.	H	α-helix	trans	-68.6	-37.3	174.1	-65.9	171.1	7.4	0	0	110.8	L348 E349 S354 K355	L348-Q352 PolarHBondContact O-N 3.37Å; E349-Q352 PolarHBondContact O-N 3.38Å; E349-Q352 VanDerWaalsContact O-N 3.15Å; Q352-S354 VanDerWaalsContact C-N 3.28Å; Q352-S354 PolarHBondContact O-N 3.29Å; Q352-K355 PolarHBondContact O-N 3.34Å; Q352-K355 VanDerWaalsContact O-N 3.08Å
353	R	84	Confident	83.4	Confident	178 Å²	178	54.6 Å²	54.6	67%	0.672	26%	0.263	S	S	*	.	H	α-helix	trans	-63.8	-32.6	173.6	-72.5	175.3	-169.9	-179.3	8.5	112.5	E349 F351 K355	E349-R353 VanDerWaalsContact O-CG 3.31Å; E349-R353 WeakPolarHBondContact O-CG 3.39Å; E349-R353 PolarHBondContact O-N 3.47Å; E349-R353 IonicContact OE2-NH2 3.33Å; E349-R353 PolarHBondContact OE2-NH2 2.81Å; F351-R353 VanDerWaalsContact C-N 3.33Å; R353-K355 PolarHBondContact O-N 3.34Å; R353-K355 VanDerWaalsContact O-N 3.14Å
354	S	82.1	Confident	83.2	Confident	7 Å²	7	57.5 Å²	57.5	5%	0.049	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	12.1	173.5	79.5	0	0	0	0	114	D350 F351 Q352 E356 N357 Y361	D350-S354 PolarHBondContact O-N 3.5Å; D350-S354 VanDerWaalsContact O-N 3.15Å; F351-S354 PolarHBondContact O-N 3.27Å; F351-S354 PolarHBondContact O-OG 3.46Å; Q352-S354 VanDerWaalsContact C-N 3.28Å; Q352-S354 PolarHBondContact O-N 3.29Å; S354-E356 PolarHBondContact O-N 2.99Å; S354-N357 VanDerWaalsContact O-CB 3.32Å; S354-N357 WeakPolarHBondContact O-CB 3.47Å; S354-N357 PolarHBondContact O-N 2.76Å; S354-N357 VanDerWaalsContact O-N 3.14Å; S354-N357 PolarHBondContact OG-O 3.26Å; S354-Y361 WeakPolarHBondContact OG-CB 3.08Å
355	K	82.7	Confident	82.9	Confident	164 Å²	164	56.5 Å²	56.5	71%	0.713	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	37.4	-175.5	-56.6	-179.3	179.5	178.8	0	112.7	Q352 R353 N357	Q352-K355 PolarHBondContact O-N 3.34Å; Q352-K355 VanDerWaalsContact O-N 3.08Å; R353-K355 PolarHBondContact O-N 3.34Å; R353-K355 VanDerWaalsContact O-N 3.14Å; K355-N357 PolarHBondContact O-N 3.32Å; K355-N357 VanDerWaalsContact O-N 3.14Å
356	E	81.9	Confident	82.6	Confident	135 Å²	135	56.7 Å²	56.7	63%	0.631	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	21.7	-179	-52	-176.6	173.6	0	0	114.1	F351 S354	F351-E356 HydrophobicContact CD1-CB 4.44Å; F351-E356 HydrophobicContact CD1-CG 4.35Å; F351-E356 VanDerWaalsContact CE1-CA 3.49Å; F351-E356 HydrophobicContact CE1-CB 3.63Å; F351-E356 HydrophobicContact CE1-CG 3.86Å; F351-E356 VanDerWaalsContact CZ-C 3.45Å; F351-E356 VanDerWaalsContact CZ-CA 3.42Å; F351-E356 HydrophobicContact CZ-CB 3.84Å; F351-E356 VanDerWaalsContact CZ-O 3.29Å; F351-E356 WeakPolarHBondContact CZ-O 3.29Å; F351-E356 PolarHBondContact O-N 3.3Å; F351-E356 VanDerWaalsContact O-N 3.09Å; S354-E356 PolarHBondContact O-N 2.99Å
357	N	81.6	Confident	82.2	Confident	47 Å²	47	53.3 Å²	53.3	25%	0.251	25%	0.252	S	S	.	.			trans	-94.2	118.8	176.8	-164.4	-30.6	0	0	0	110.7	F13 S354 K355 S359 I360 Y361	F13-N357 WeakPolarHBondContact CE2-ND2 3.4Å; F13-N357 WeakPolarHBondContact CZ-ND2 3.49Å; S354-N357 VanDerWaalsContact O-CB 3.32Å; S354-N357 WeakPolarHBondContact O-CB 3.47Å; S354-N357 PolarHBondContact O-N 2.76Å; S354-N357 VanDerWaalsContact O-N 3.14Å; S354-N357 PolarHBondContact OG-O 3.26Å; K355-N357 PolarHBondContact O-N 3.32Å; K355-N357 VanDerWaalsContact O-N 3.14Å; N357-S359 PolarHBondContact OD1-N 2.92Å; N357-S359 VanDerWaalsContact OD1-N 3.17Å; N357-S359 PolarHBondContact OD1-OG 3.37Å; N357-I360 HydrophobicContact CB-CB 4.23Å; N357-I360 HydrophobicContact CB-CD1 3.93Å; N357-I360 HydrophobicContact CB-CG1 4.08Å; N357-Y361 VanDerWaalsContact O-CB 3.28Å; N357-Y361 WeakPolarHBondContact O-CB 2.96Å; N357-Y361 PolarHBondContact O-N 2.86Å
358	F	82.6	Confident	81.4	Confident	25 Å²	25	50.9 Å²	50.9	11%	0.11	24%	0.243	C	C	.	.	H	α-helix	trans	-66.2	-36.7	-177.6	-78.4	-91.8	0	0	0	113.2	E134 R135 F351 R362	E134-F358 HydrophobicContact CB-CD1 4.31Å; E134-F358 HydrophobicContact CB-CE1 4.38Å; R135-F358 HydrophobicContact CB-CE1 4.43Å; R135-F358 HydrophobicContact CB-CZ 4.38Å; R135-F358 HydrophobicContact CG-CD1 4.12Å; R135-F358 HydrophobicContact CG-CE1 3.59Å; R135-F358 HydrophobicContact CG-CE2 4.04Å; R135-F358 HydrophobicContact CG-CZ 3.55Å; F351-F358 HydrophobicContact CE2-CD1 4.11Å; F351-F358 AromaticContact CE2-CD2 3.92Å; F351-F358 HydrophobicContact CE2-CD2 3.92Å; F351-F358 HydrophobicContact CE2-CE1 4.01Å; F351-F358 AromaticContact CE2-CE2 3.83Å; F351-F358 HydrophobicContact CE2-CE2 3.83Å; F351-F358 HydrophobicContact CE2-CG 4.05Å; F351-F358 AromaticContact CE2-CZ 3.86Å; F351-F358 HydrophobicContact CE2-CZ 3.86Å; F351-F358 HydrophobicContact CZ-CD2 4.03Å; F351-F358 HydrophobicContact CZ-CE1 4.36Å; F351-F358 AromaticContact CZ-CE2 3.56Å; F351-F358 HydrophobicContact CZ-CE2 3.56Å; F351-F358 AromaticContact CZ-CZ 3.74Å; F351-F358 HydrophobicContact CZ-CZ 3.74Å; F358-R362 VanDerWaalsContact O-CB 3.23Å; F358-R362 WeakPolarHBondContact O-CB 3.33Å; F358-R362 PolarHBondContact O-N 3.35Å
359	S	75.6	Confident	80	Confident	33 Å²	33	51.9 Å²	51.9	23%	0.231	25%	0.249	C	C	.	.	H	α-helix	trans	-68.9	-44.4	-179	60.2	0	0	0	0	111.4	N357 R362 S363	N357-S359 PolarHBondContact OD1-N 2.92Å; N357-S359 VanDerWaalsContact OD1-N 3.17Å; N357-S359 PolarHBondContact OD1-OG 3.37Å; S359-R362 PolarHBondContact O-N 3.49Å; S359-S363 PolarHBondContact O-N 3.33Å; S359-S363 PolarHBondContact O-OG 2.99Å
360	I	76.1	Confident	78.6	Confident	54 Å²	54	49.9 Å²	49.9	28%	0.277	24%	0.243	S	C	.	.	H	α-helix	trans	-64.3	-48.2	176.3	-57.5	179.1	0	0	0	110.3	F13 N357 R362 S363 D364	F13-I360 HydrophobicContact CE1-CD1 4.17Å; F13-I360 HydrophobicContact CZ-CD1 3.82Å; F13-I360 HydrophobicContact CZ-CG1 4.05Å; N357-I360 HydrophobicContact CB-CB 4.23Å; N357-I360 HydrophobicContact CB-CD1 3.93Å; N357-I360 HydrophobicContact CB-CG1 4.08Å; I360-R362 VanDerWaalsContact C-N 3.28Å; I360-R362 PolarHBondContact O-N 3.1Å; I360-S363 PolarHBondContact O-N 3.44Å; I360-S363 PolarHBondContact O-OG 3.29Å; I360-D364 WeakPolarHBondContact O-CB 3.36Å; I360-D364 VanDerWaalsContact O-CG 3.26Å; I360-D364 PolarHBondContact O-N 2.76Å
361	Y	82.2	Confident	76.9	Confident	3 Å²	3	48.1 Å²	48.1	1%	0.012	24%	0.236	C	C	.	.	H	α-helix	trans	-55.8	-45.4	177.1	172.9	-102.4	0	0	0	111.8	D338 I345 L348 D350 F351 S354 N357 D364 T365	D338-Y361 WeakPolarHBondContact CB-OH 3.32Å; D338-Y361 WeakPolarHBondContact OD2-CE1 3.36Å; D338-Y361 PolarHBondContact OD2-OH 2.99Å; I345-Y361 HydrophobicContact CD1-CE1 4.37Å; I345-Y361 HydrophobicContact CG2-CD1 4.02Å; I345-Y361 HydrophobicContact CG2-CE1 3.52Å; I345-Y361 HydrophobicContact CG2-CE2 4.19Å; L348-Y361 HydrophobicContact CD1-CE2 4.45Å; L348-Y361 WeakPolarHBondContact CD1-OH 3.5Å; D350-Y361 HydrophobicContact CB-CD2 4.45Å; D350-Y361 HydrophobicContact CB-CE2 3.99Å; F351-Y361 HydrophobicContact CB-CD2 3.8Å; F351-Y361 HydrophobicContact CB-CE2 3.96Å; F351-Y361 HydrophobicContact CB-CG 4.39Å; F351-Y361 HydrophobicContact CD2-CD1 4.25Å; F351-Y361 HydrophobicContact CD2-CD2 4.07Å; F351-Y361 AromaticContact CD2-CG 3.79Å; F351-Y361 HydrophobicContact CD2-CG 3.79Å; F351-Y361 HydrophobicContact CG-CD2 4.46Å; S354-Y361 WeakPolarHBondContact OG-CB 3.08Å; N357-Y361 VanDerWaalsContact O-CB 3.28Å; N357-Y361 WeakPolarHBondContact O-CB 2.96Å; N357-Y361 PolarHBondContact O-N 2.86Å; Y361-D364 PolarHBondContact O-N 3.42Å; Y361-T365 HydrophobicContact CD2-CG2 3.91Å; Y361-T365 HydrophobicContact CE1-CG2 4.12Å; Y361-T365 HydrophobicContact CE2-CG2 3.44Å; Y361-T365 VanDerWaalsContact CE2-CG2 3.44Å; Y361-T365 HydrophobicContact CG-CG2 4.45Å; Y361-T365 WeakPolarHBondContact O-CB 3.42Å; Y361-T365 WeakPolarHBondContact O-CG2 3.43Å; Y361-T365 PolarHBondContact O-N 3.38Å; Y361-T365 PolarHBondContact O-OG1 2.85Å
362	R	82.6	Confident	75	Confident	27 Å²	27	50.9 Å²	50.9	10%	0.102	25%	0.253	C	S	.	.	H	α-helix	trans	-63.4	-44.8	178.9	-173.4	-173.2	-52.7	122.5	2.2	111.7	I52 E134 F358 S359 I360 D364 T365 I366	I52-R362 HydrophobicContact CG2-CG 4.25Å; E134-R362 IonicContact OE1-CZ 2.77Å; E134-R362 IonicContact OE1-NE 3.96Å; E134-R362 PolarHBondContact OE1-NE 2.83Å; E134-R362 IonicContact OE1-NH2 3.76Å; E134-R362 PolarHBondContact OE1-NH2 3.34Å; E134-R362 IonicContact OE2-CZ 3.6Å; E134-R362 IonicContact OE2-NE 2.73Å; E134-R362 PolarHBondContact OE2-NE 3.35Å; E134-R362 IonicContact OE2-NH2 3.62Å; E134-R362 PolarHBondContact OE2-NH2 3.12Å; F358-R362 VanDerWaalsContact O-CB 3.23Å; F358-R362 WeakPolarHBondContact O-CB 3.33Å; F358-R362 PolarHBondContact O-N 3.35Å; S359-R362 PolarHBondContact O-N 3.49Å; I360-R362 VanDerWaalsContact C-N 3.28Å; I360-R362 PolarHBondContact O-N 3.1Å; R362-D364 PolarHBondContact O-N 3.26Å; R362-T365 PolarHBondContact O-N 2.86Å; R362-T365 PolarHBondContact O-OG1 2.99Å; R362-I366 HydrophobicContact CG-CD1 3.65Å; R362-I366 HydrophobicContact CG-CG1 4.45Å; R362-I366 WeakPolarHBondContact O-CB 3.28Å; R362-I366 WeakPolarHBondContact O-CG1 3.29Å; R362-I366 PolarHBondContact O-N 3.44Å; R362-I366 VanDerWaalsContact O-N 3.14Å
363	S	74.9	Confident	73	Confident	21 Å²	21	50 Å²	50	15%	0.147	25%	0.251	C	S	.	.	H	α-helix	trans	-63.7	-32.6	179	63.4	0	0	0	0	112.4	A294 G295 S359 I360	A294-S363 PolarHBondContact N-O 2.83Å; G295-S363 PolarHBondContact N-O 2.94Å; S359-S363 PolarHBondContact O-N 3.33Å; S359-S363 PolarHBondContact O-OG 2.99Å; I360-S363 PolarHBondContact O-N 3.44Å; I360-S363 PolarHBondContact O-OG 3.29Å
364	D	80.3	Confident	71	Confident	64 Å²	64	43.6 Å²	43.6	34%	0.342	23%	0.23	S	C	.	.	H	α-helix	trans	-82.7	-31	-178	-67.1	-8.8	0	0	0	112.6	I360 Y361 R362	I360-D364 WeakPolarHBondContact O-CB 3.36Å; I360-D364 VanDerWaalsContact O-CG 3.26Å; I360-D364 PolarHBondContact O-N 2.76Å; Y361-D364 PolarHBondContact O-N 3.42Å; R362-D364 PolarHBondContact O-N 3.26Å
365	T	82.4	Confident	68.8	Low	5 Å²	5	49.7 Å²	49.7	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-88.6	-16	-179	50.6	0	0	0	0	114.7	Q337 Y361 R362 L539	Q337-T365 WeakPolarHBondContact CG-O 3.36Å; Q337-T365 PolarHBondContact N-O 3.46Å; Y361-T365 HydrophobicContact CD2-CG2 3.91Å; Y361-T365 HydrophobicContact CE1-CG2 4.12Å; Y361-T365 HydrophobicContact CE2-CG2 3.44Å; Y361-T365 VanDerWaalsContact CE2-CG2 3.44Å; Y361-T365 HydrophobicContact CG-CG2 4.45Å; Y361-T365 WeakPolarHBondContact O-CB 3.42Å; Y361-T365 WeakPolarHBondContact O-CG2 3.43Å; Y361-T365 PolarHBondContact O-N 3.38Å; Y361-T365 PolarHBondContact O-OG1 2.85Å; R362-T365 PolarHBondContact O-N 2.86Å; R362-T365 PolarHBondContact O-OG1 2.99Å; T365-L539 HydrophobicContact CG2-CD2 3.96Å
366	I	80.7	Confident	66.7	Low	6 Å²	6	45.9 Å²	45.9	3%	0.031	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-88.7	120.2	172.8	-70.3	174.9	0	0	0	108.6	I52 S293 A294 F330 S335 R336 R362	I52-I366 HydrophobicContact CB-CD1 4.36Å; I52-I366 HydrophobicContact CD1-CB 4.4Å; I52-I366 HydrophobicContact CD1-CD1 3.74Å; I52-I366 HydrophobicContact CD1-CG2 4.38Å; I52-I366 HydrophobicContact CG1-CD1 4Å; I52-I366 HydrophobicContact CG2-CD1 3.46Å; I52-I366 VanDerWaalsContact CG2-CD1 3.46Å; S293-I366 CarbonylContact C-O 3.58Å; S293-I366 VanDerWaalsContact CA-O 3.22Å; S293-I366 WeakPolarHBondContact CA-O 3.35Å; A294-I366 HydrophobicContact CB-CB 4.31Å; A294-I366 HydrophobicContact CB-CG2 4.11Å; A294-I366 PolarHBondContact N-O 3.48Å; F330-I366 HydrophobicContact CB-CG2 3.76Å; F330-I366 HydrophobicContact CD1-CG2 3.82Å; F330-I366 HydrophobicContact CG-CG2 4.25Å; F330-I366 WeakPolarHBondContact O-CG2 3.47Å; S335-I366 CarbonylContact O-C 3.53Å; S335-I366 WeakPolarHBondContact O-CA 3.29Å; R336-I366 HydrophobicContact CB-CG1 4.01Å; R336-I366 HydrophobicContact CG-CD1 4.32Å; R336-I366 HydrophobicContact CG-CG1 3.62Å; R362-I366 HydrophobicContact CG-CD1 3.65Å; R362-I366 HydrophobicContact CG-CG1 4.45Å; R362-I366 WeakPolarHBondContact O-CB 3.28Å; R362-I366 WeakPolarHBondContact O-CG1 3.29Å; R362-I366 PolarHBondContact O-N 3.44Å; R362-I366 VanDerWaalsContact O-N 3.14Å
367	C	77.1	Confident	64.4	Low	5 Å²	5	41.6 Å²	41.6	3%	0.034	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-126.8	147.8	-178.9	-64.8	0	0	0	0	111.4	R291 I292 S335 Q337	R291-C367 HydrophobicContact CB-CB 3.76Å; R291-C367 HydrophobicContact CG-CB 4.22Å; I292-C367 VanDerWaalsContact O-CA 3.28Å; I292-C367 WeakPolarHBondContact O-CA 3.49Å; S335-C367 WeakPolarHBondContact CA-O 3.19Å; S335-C367 WeakPolarHBondContact CB-O 3.39Å; S335-C367 PolarHBondContact O-N 2.87Å; Q337-C367 PolarHBondContact NE2-SG 3.31Å
368	A	68.1	Low	62.3	Low	14 Å²	14	46.2 Å²	46.2	12%	0.116	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-61.7	141.4	163.4	0	0	0	0	0	109.2	I292 I325 F330	I292-A368 PolarHBondContact O-N 3.28Å; I325-A368 HydrophobicContact CD1-CB 4.48Å; I325-A368 HydrophobicContact CG2-CB 4.23Å; F330-A368 HydrophobicContact CE1-CB 4.1Å
369	P	60.3	Low	60.3	Low	26 Å²	26	51.1 Å²	51.1	17%	0.169	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-68.5	151.5	-177.7	28.4	-34.8	0	0	0	112	V404	P369-V404 HydrophobicContact CB-CG1 3.48Å; P369-V404 VanDerWaalsContact CB-CG1 3.48Å; P369-V404 HydrophobicContact CG-CG1 3.95Å
370	N	54.8	Low	58.5	Low	84 Å²	84	50.8 Å²	50.8	45%	0.449	28%	0.281	S	S	.	.	S	Bend	trans	-82.9	134.3	174.6	-76.9	-7.7	0	0	0	109.5	R291 E408	R291-N370 WeakPolarHBondContact CG-OD1 3.48Å; N370-E408 PolarHBondContact N-OE1 2.84Å
371	G	49.4	Very low	56.6	Low	13 Å²	13	52 Å²	52	13%	0.134	29%	0.288	C	S	.	.			trans	131.7	19	177.9	0	0	0	0	0	114.6	P386 S387	G371-P386 CarbonylContact O-C 3.56Å; G371-P386 WeakPolarHBondContact O-CA 3.32Å; G371-S387 PolarHBondContact O-N 3.29Å
372	V	49.1	Very low	54.5	Low	61 Å²	61	54.8 Å²	54.8	37%	0.37	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	109.5	166.8	-143.8	0	0	0	0	107.8	L384 T385	V372-L384 HydrophobicContact CB-CD2 3.87Å; V372-L384 HydrophobicContact CG1-CB 3.5Å; V372-L384 VanDerWaalsContact CG1-CB 3.5Å; V372-L384 HydrophobicContact CG1-CD1 4.07Å; V372-L384 HydrophobicContact CG1-CD2 3.27Å; V372-L384 HydrophobicContact CG1-CG 3.76Å; V372-T385 CarbonylContact C-O 3.55Å; V372-T385 WeakPolarHBondContact CA-O 3.34Å
373	D	44.2	Very low	52.4	Low	77 Å²	77	55.1 Å²	55.1	41%	0.412	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	141.4	172.7	-72.2	-16.1	0	0	0	108.4	Y375 T385 S387	D373-Y375 PolarHBondContact O-N 3.34Å; D373-T385 PolarHBondContact N-O 2.93Å; D373-T385 PolarHBondContact O-N 3.47Å; D373-S387 VanDerWaalsContact CG-CB 3.5Å; D373-S387 WeakPolarHBondContact OD1-CB 3.35Å; D373-S387 WeakPolarHBondContact OD2-CA 3.5Å; D373-S387 VanDerWaalsContact OD2-CB 3.28Å; D373-S387 WeakPolarHBondContact OD2-CB 3.47Å
374	L	42.4	Very low	50.9	Low	44 Å²	44	55.2 Å²	55.2	23%	0.23	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	110.9	166.7	-77.9	165.3	0	0	0	108.1	L286 V324 L382 L384	L286-L374 HydrophobicContact CD1-CD1 3.29Å; V324-L374 HydrophobicContact CG1-CD2 4.13Å; V324-L374 HydrophobicContact CG2-CD2 3.8Å; L374-L382 HydrophobicContact CB-CD2 4.05Å; L374-L382 HydrophobicContact CD2-CB 4.21Å; L374-L382 HydrophobicContact CD2-CD2 4.18Å; L374-L384 HydrophobicContact CD2-CD2 4.28Å
375	Y	36.3	Very low	49.1	Very low	135 Å²	135	53.6 Å²	53.6	53%	0.529	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	135.8	172.3	-148.5	-89.5	0	0	0	110	D373 L382 V383 T385	D373-Y375 PolarHBondContact O-N 3.34Å; Y375-L382 WeakPolarHBondContact O-CA 3.27Å; Y375-V383 PolarHBondContact N-O 2.81Å; Y375-V383 PolarHBondContact O-N 3.33Å; Y375-T385 HydrophobicContact CG-CG2 4.15Å
376	E	38.2	Very low	47.6	Very low	84 Å²	84	55.4 Å²	55.4	39%	0.393	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	119.1	172.5	-165.4	177.2	162.7	0	0	108.4	R279 N381	R279-E376 IonicContact CZ-OE1 3.96Å; R279-E376 IonicContact NE-OE1 3.52Å; R279-E376 IonicContact NH1-OE1 3.56Å; R279-E376 PolarHBondContact NH1-OE1 2.9Å; E376-N381 WeakPolarHBondContact CA-O 3.09Å
377	T	34.2	Very low	46.1	Very low	45 Å²	45	56 Å²	56	28%	0.276	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-68.6	165.3	172.4	66.8	0	0	0	0	110.3	D379 G380 N381 V383	T377-D379 PolarHBondContact O-N 2.72Å; T377-D379 PolarHBondContact OG1-N 3.48Å; T377-G380 PolarHBondContact O-N 3.42Å; T377-N381 PolarHBondContact N-O 2.86Å; T377-N381 PolarHBondContact OG1-N 2.96Å; T377-N381 PolarHBondContact OG1-O 3.46Å; T377-V383 HydrophobicContact CG2-CB 4.09Å; T377-V383 HydrophobicContact CG2-CG2 3.46Å; T377-V383 VanDerWaalsContact CG2-CG2 3.46Å
378	T	37.4	Very low	44.9	Very low	145 Å²	145	61.2 Å²	61.2	89%	0.89	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-23.8	173.8	44	0	0	0	0	113.5	G380	T378-G380 VanDerWaalsContact C-N 3.33Å
379	D	39.9	Very low	44.5	Very low	127 Å²	127	62 Å²	62	68%	0.679	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	3.1	-178.6	-52.2	-24.4	0	0	0	112.4	T377 N381	T377-D379 PolarHBondContact O-N 2.72Å; T377-D379 PolarHBondContact OG1-N 3.48Å; D379-N381 VanDerWaalsContact C-N 3.34Å
380	G	37.1	Very low	44.7	Very low	27 Å²	27	65.4 Å²	65.4	28%	0.278	38%	0.379	S	S	.	.	S	Bend	trans	80.4	9.3	179.3	0	0	0	0	0	114.8	T377 T378	T377-G380 PolarHBondContact O-N 3.42Å; T378-G380 VanDerWaalsContact C-N 3.33Å
381	N	37	Very low	45.3	Very low	80 Å²	80	63.9 Å²	63.9	43%	0.428	37%	0.367	S	S	.	.			trans	-80	135.6	173.5	-69.3	-24.7	0	0	0	110	E376 T377 D379 V383	E376-N381 WeakPolarHBondContact CA-O 3.09Å; T377-N381 PolarHBondContact N-O 2.86Å; T377-N381 PolarHBondContact OG1-N 2.96Å; T377-N381 PolarHBondContact OG1-O 3.46Å; D379-N381 VanDerWaalsContact C-N 3.34Å; N381-V383 PolarHBondContact O-N 2.58Å
382	L	37.5	Very low	46.1	Very low	61 Å²	61	69.4 Å²	69.4	32%	0.319	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	113.6	169.5	-75.9	158.2	0	0	0	108.5	L238 T320 L374 Y375	L238-L382 VanDerWaalsContact CD1-O 3.23Å; L238-L382 WeakPolarHBondContact CD1-O 3.44Å; T320-L382 HydrophobicContact CG2-CD1 3.49Å; T320-L382 VanDerWaalsContact CG2-CD1 3.49Å; L374-L382 HydrophobicContact CB-CD2 4.05Å; L374-L382 HydrophobicContact CD2-CB 4.21Å; L374-L382 HydrophobicContact CD2-CD2 4.18Å; Y375-L382 WeakPolarHBondContact O-CA 3.27Å
383	V	39.4	Very low	47.2	Very low	34 Å²	34	75.7 Å²	75.7	21%	0.206	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	139.6	175.2	179.6	0	0	0	0	108.6	Y375 T377 N381 T385	Y375-V383 PolarHBondContact N-O 2.81Å; Y375-V383 PolarHBondContact O-N 3.33Å; T377-V383 HydrophobicContact CG2-CB 4.09Å; T377-V383 HydrophobicContact CG2-CG2 3.46Å; T377-V383 VanDerWaalsContact CG2-CG2 3.46Å; N381-V383 PolarHBondContact O-N 2.58Å; V383-T385 PolarHBondContact O-N 2.92Å
384	L	44.2	Very low	48.6	Very low	22 Å²	22	75.4 Å²	75.4	12%	0.115	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	115.3	171.7	-74.2	175.3	0	0	0	110	V240 V324 V372 L374	V240-L384 HydrophobicContact CG2-CD1 4.39Å; V324-L384 HydrophobicContact CG1-CD1 4.21Å; V324-L384 HydrophobicContact CG1-CD2 3.35Å; V324-L384 HydrophobicContact CG1-CG 4.04Å; V324-L384 WeakPolarHBondContact O-CD1 3.44Å; V372-L384 HydrophobicContact CB-CD2 3.87Å; V372-L384 HydrophobicContact CG1-CB 3.5Å; V372-L384 VanDerWaalsContact CG1-CB 3.5Å; V372-L384 HydrophobicContact CG1-CD1 4.07Å; V372-L384 HydrophobicContact CG1-CD2 3.27Å; V372-L384 HydrophobicContact CG1-CG 3.76Å; L374-L384 HydrophobicContact CD2-CD2 4.28Å
385	T	42.7	Very low	49.7	Very low	31 Å²	31	75.1 Å²	75.1	19%	0.19	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	141.1	162.4	57	0	0	0	0	108.6	V372 D373 Y375 V383 S387	V372-T385 CarbonylContact C-O 3.55Å; V372-T385 WeakPolarHBondContact CA-O 3.34Å; D373-T385 PolarHBondContact N-O 2.93Å; D373-T385 PolarHBondContact O-N 3.47Å; Y375-T385 HydrophobicContact CG-CG2 4.15Å; V383-T385 PolarHBondContact O-N 2.92Å; T385-S387 PolarHBondContact O-N 2.92Å
386	P	49.3	Very low	51.6	Low	42 Å²	42	80.1 Å²	80.1	27%	0.273	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.7	137.4	159.1	11.5	-20.9	0	0	0	108.7	G371 E388 L400	G371-P386 CarbonylContact O-C 3.56Å; G371-P386 WeakPolarHBondContact O-CA 3.32Å; P386-E388 PolarHBondContact O-N 2.88Å; P386-L400 HydrophobicContact CB-CD1 3.44Å; P386-L400 VanDerWaalsContact CB-CD1 3.44Å; P386-L400 HydrophobicContact CG-CD1 3.71Å
387	S	50.6	Low	53.4	Low	20 Å²	20	82.7 Å²	82.7	14%	0.14	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-53.9	123.5	173.9	82.7	0	0	0	0	108.4	G371 D373 T385 G389 Q407	G371-S387 PolarHBondContact O-N 3.29Å; D373-S387 VanDerWaalsContact CG-CB 3.5Å; D373-S387 WeakPolarHBondContact OD1-CB 3.35Å; D373-S387 WeakPolarHBondContact OD2-CA 3.5Å; D373-S387 VanDerWaalsContact OD2-CB 3.28Å; D373-S387 WeakPolarHBondContact OD2-CB 3.47Å; T385-S387 PolarHBondContact O-N 2.92Å; S387-G389 PolarHBondContact O-N 3.39Å; S387-Q407 PolarHBondContact OG-NE2 3.31Å; S387-Q407 PolarHBondContact OG-OE1 3.06Å; S387-Q407 VanDerWaalsContact OG-OE1 3.09Å
388	E	51.4	Low	55.2	Low	113 Å²	113	81.5 Å²	81.5	53%	0.528	44%	0.437	S	S	.	.			trans	-76.7	54	-164.2	-65	-154.8	139	0	0	112.3	P386 K392	P386-E388 PolarHBondContact O-N 2.88Å; E388-K392 IonicContact OE1-NZ 2.94Å; E388-K392 PolarHBondContact OE1-NZ 2.94Å; E388-K392 IonicContact OE2-NZ 2.72Å; E388-K392 PolarHBondContact OE2-NZ 3.43Å
389	G	59.4	Low	56.8	Low	32 Å²	32	78 Å²	78	33%	0.33	42%	0.418	S	S	.	.	S	Bend	trans	-75.5	-165.4	175.4	0	0	0	0	0	113.7	S387 W391 K392	S387-G389 PolarHBondContact O-N 3.39Å; G389-W391 PolarHBondContact O-N 3.11Å; G389-K392 PolarHBondContact O-N 3.02Å; G389-K392 VanDerWaalsContact O-N 3.17Å
390	A	64.5	Low	58	Low	96 Å²	96	73.4 Å²	73.4	79%	0.793	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-51.9	-18.6	178.6	0	0	0	0	0	114.8	K392	A390-K392 VanDerWaalsContact C-N 3.3Å; A390-K392 PolarHBondContact O-N 3.12Å
391	W	67	Low	59.4	Low	52 Å²	52	75.4 Å²	75.4	20%	0.197	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-73.7	-10.1	-178.5	-58.1	102.7	0	0	0	115	G389 K393 L394 A395 R403 L406 F410	G389-W391 PolarHBondContact O-N 3.11Å; W391-K393 PolarHBondContact O-N 3.38Å; W391-L394 HydrophobicContact CE3-CD1 3.76Å; W391-L394 HydrophobicContact CZ3-CD1 3.81Å; W391-L394 CarbonylContact O-C 3.43Å; W391-L394 PolarHBondContact O-N 2.81Å; W391-A395 PolarHBondContact O-N 3.2Å; W391-R403 HydrophobicContact CB-CB 4.35Å; W391-R403 HydrophobicContact CB-CG 4.25Å; W391-R403 HydrophobicContact CE3-CG 4.47Å; W391-R403 HydrophobicContact CG-CB 4.4Å; W391-L406 HydrophobicContact CE3-CD1 4.47Å; W391-L406 HydrophobicContact CH2-CB 3.53Å; W391-L406 HydrophobicContact CH2-CD1 3.64Å; W391-L406 HydrophobicContact CH2-CG 4.11Å; W391-L406 HydrophobicContact CZ2-CB 3.55Å; W391-L406 HydrophobicContact CZ2-CD1 4.48Å; W391-L406 HydrophobicContact CZ3-CB 4.18Å; W391-L406 HydrophobicContact CZ3-CD1 3.61Å; W391-F410 HydrophobicContact CH2-CD2 4.16Å; W391-F410 HydrophobicContact CH2-CE2 4.32Å; W391-F410 AromaticContact CZ2-CD2 3.9Å; W391-F410 HydrophobicContact CZ2-CD2 3.9Å
392	K	66.8	Low	61	Low	129 Å²	129	76.6 Å²	76.6	56%	0.561	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-54.2	-39.1	179.6	-167.7	167.6	-171.6	156.1	0	112.7	E388 G389 A390 L394 A395	E388-K392 IonicContact OE1-NZ 2.94Å; E388-K392 PolarHBondContact OE1-NZ 2.94Å; E388-K392 IonicContact OE2-NZ 2.72Å; E388-K392 PolarHBondContact OE2-NZ 3.43Å; G389-K392 PolarHBondContact O-N 3.02Å; G389-K392 VanDerWaalsContact O-N 3.17Å; A390-K392 VanDerWaalsContact C-N 3.3Å; A390-K392 PolarHBondContact O-N 3.12Å; K392-L394 VanDerWaalsContact C-N 3.32Å; K392-L394 PolarHBondContact O-N 3.25Å; K392-A395 WeakPolarHBondContact O-CB 3.35Å; K392-A395 PolarHBondContact O-N 2.84Å
393	K	73	Confident	62.5	Low	193 Å²	193	75.3 Å²	75.3	84%	0.839	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-68.2	-31.2	178	-67.9	-176.6	-179.8	178.8	0	113.2	W391 A395	W391-K393 PolarHBondContact O-N 3.38Å; K393-A395 PolarHBondContact O-N 3.41Å
394	L	71.8	Confident	63.9	Low	71 Å²	71	74.1 Å²	74.1	37%	0.372	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-87.7	7.2	179.6	-67.6	172.9	0	0	0	112.2	W391 K392 R396 I397 V398	W391-L394 HydrophobicContact CE3-CD1 3.76Å; W391-L394 HydrophobicContact CZ3-CD1 3.81Å; W391-L394 CarbonylContact O-C 3.43Å; W391-L394 PolarHBondContact O-N 2.81Å; K392-L394 VanDerWaalsContact C-N 3.32Å; K392-L394 PolarHBondContact O-N 3.25Å; L394-R396 PolarHBondContact O-N 3.45Å; L394-R396 VanDerWaalsContact O-N 3.13Å; L394-I397 HydrophobicContact CD2-CD1 4.41Å; L394-I397 PolarHBondContact O-N 3.09Å; L394-V398 HydrophobicContact CB-CG2 4.08Å; L394-V398 PolarHBondContact O-N 2.8Å
395	A	67.1	Low	65.3	Low	38 Å²	38	74.7 Å²	74.7	31%	0.314	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.6	-173.1	0	0	0	0	0	115.2	W391 K392 K393 R403	W391-A395 PolarHBondContact O-N 3.2Å; K392-A395 WeakPolarHBondContact O-CB 3.35Å; K392-A395 PolarHBondContact O-N 2.84Å; K393-A395 PolarHBondContact O-N 3.41Å; A395-R403 VanDerWaalsContact C-NH2 3.25Å; A395-R403 PolarHBondContact O-NH2 3.41Å
396	R	74.7	Confident	66.7	Low	241 Å²	241	74.9 Å²	74.9	91%	0.909	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-17.2	175.8	-72.2	-176.3	-77.9	166.2	-5.6	113.7	L394	L394-R396 PolarHBondContact O-N 3.45Å; L394-R396 VanDerWaalsContact O-N 3.13Å
397	I	77	Confident	67.8	Low	137 Å²	137	75.7 Å²	75.7	70%	0.703	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	-42.9	-170.7	-56	174.4	0	0	0	111.2	L394	L394-I397 HydrophobicContact CD2-CD1 4.41Å; L394-I397 PolarHBondContact O-N 3.09Å
398	V	72	Confident	68.8	Low	20 Å²	20	75.4 Å²	75.4	12%	0.121	38%	0.383	C	S	.	.	S	Bend	trans	-100.5	124.8	-172.2	-177.3	0	0	0	0	108.4	L394 M402 R403 L406	L394-V398 HydrophobicContact CB-CG2 4.08Å; L394-V398 PolarHBondContact O-N 2.8Å; V398-M402 HydrophobicContact CG1-CB 3.68Å; V398-M402 HydrophobicContact CG1-CG 3.61Å; V398-M402 HydrophobicContact CG1-SD 3.88Å; V398-R403 HydrophobicContact CB-CG 3.95Å; V398-R403 HydrophobicContact CG1-CG 3.62Å; V398-R403 PolarHBondContact O-NE 3Å; V398-R403 PolarHBondContact O-NH2 3.07Å; V398-L406 HydrophobicContact CG1-CD1 4.2Å
399	P	69.9	Low	69.8	Low	73 Å²	73	72.3 Å²	72.3	47%	0.474	37%	0.369	S	S	.	.			trans	-57.2	148.9	174.9	-25.4	34.3	0	0	0	112.1	Q401 M402 R403	P399-Q401 PolarHBondContact O-N 3.44Å; P399-Q401 VanDerWaalsContact O-N 3.15Å; P399-M402 PolarHBondContact O-N 3.31Å; P399-R403 PolarHBondContact O-N 3.2Å
400	L	66.3	Low	70.5	Confident	30 Å²	30	75.1 Å²	75.1	16%	0.157	37%	0.373	C	S	.	.	H	α-helix	trans	-48.2	-46.2	-179.3	173	64.1	0	0	0	112.5	V240 P386 M402 R403 V404	V240-L400 HydrophobicContact CB-CD2 4.02Å; V240-L400 HydrophobicContact CG1-CD2 3.35Å; V240-L400 HydrophobicContact CG2-CD2 4Å; P386-L400 HydrophobicContact CB-CD1 3.44Å; P386-L400 VanDerWaalsContact CB-CD1 3.44Å; P386-L400 HydrophobicContact CG-CD1 3.71Å; L400-M402 VanDerWaalsContact C-N 3.34Å; L400-M402 PolarHBondContact O-N 3.14Å; L400-R403 WeakPolarHBondContact O-CB 3.41Å; L400-R403 PolarHBondContact O-N 3.41Å; L400-R403 VanDerWaalsContact O-N 3.1Å; L400-V404 HydrophobicContact CD1-CG2 4.26Å; L400-V404 WeakPolarHBondContact O-CG2 3.15Å; L400-V404 PolarHBondContact O-N 3.42Å
401	Q	65.2	Low	70.9	Confident	69 Å²	69	72.5 Å²	72.5	32%	0.322	35%	0.348	S	S	.	.	H	α-helix	trans	-65.1	-40	-176.7	-61.7	80	8.7	0	0	112	R332 P399 R403 V404 V405	R332-Q401 VanDerWaalsContact CZ-CG 3.46Å; P399-Q401 PolarHBondContact O-N 3.44Å; P399-Q401 VanDerWaalsContact O-N 3.15Å; Q401-R403 VanDerWaalsContact C-N 3.31Å; Q401-V404 PolarHBondContact O-N 3.47Å; Q401-V405 WeakPolarHBondContact O-CG2 3.46Å; Q401-V405 PolarHBondContact O-N 3.41Å
402	M	71.8	Confident	71.6	Confident	105 Å²	105	75.3 Å²	75.3	52%	0.517	36%	0.362	S	S	.	.	H	α-helix	trans	-65.8	-38	174.9	-176.1	172.5	-176.4	0	0	110.1	V398 P399 L400 V405 L406	V398-M402 HydrophobicContact CG1-CB 3.68Å; V398-M402 HydrophobicContact CG1-CG 3.61Å; V398-M402 HydrophobicContact CG1-SD 3.88Å; P399-M402 PolarHBondContact O-N 3.31Å; L400-M402 VanDerWaalsContact C-N 3.34Å; L400-M402 PolarHBondContact O-N 3.14Å; M402-V405 PolarHBondContact O-N 3.46Å; M402-L406 HydrophobicContact CE-CD1 4.18Å; M402-L406 HydrophobicContact CG-CD1 3.79Å; M402-L406 HydrophobicContact CG-CG 4.21Å; M402-L406 VanDerWaalsContact O-CB 3.27Å; M402-L406 WeakPolarHBondContact O-CB 3.27Å; M402-L406 WeakPolarHBondContact O-CD1 3.48Å; M402-L406 WeakPolarHBondContact O-CG 3.3Å; M402-L406 PolarHBondContact O-N 2.83Å
403	R	69.4	Low	72.2	Confident	33 Å²	33	77.6 Å²	77.6	13%	0.125	38%	0.375	C	S	.	.	H	α-helix	trans	-63.5	-44.1	174.3	-61.5	178.9	-138.6	155	12.6	112.4	W391 A395 V398 P399 L400 Q401 L406 Q407	W391-R403 HydrophobicContact CB-CB 4.35Å; W391-R403 HydrophobicContact CB-CG 4.25Å; W391-R403 HydrophobicContact CE3-CG 4.47Å; W391-R403 HydrophobicContact CG-CB 4.4Å; A395-R403 VanDerWaalsContact C-NH2 3.25Å; A395-R403 PolarHBondContact O-NH2 3.41Å; V398-R403 HydrophobicContact CB-CG 3.95Å; V398-R403 HydrophobicContact CG1-CG 3.62Å; V398-R403 PolarHBondContact O-NE 3Å; V398-R403 PolarHBondContact O-NH2 3.07Å; P399-R403 PolarHBondContact O-N 3.2Å; L400-R403 WeakPolarHBondContact O-CB 3.41Å; L400-R403 PolarHBondContact O-N 3.41Å; L400-R403 VanDerWaalsContact O-N 3.1Å; Q401-R403 VanDerWaalsContact C-N 3.31Å; R403-L406 PolarHBondContact O-N 3.41Å; R403-Q407 VanDerWaalsContact O-CB 3.23Å; R403-Q407 WeakPolarHBondContact O-CB 3.05Å; R403-Q407 PolarHBondContact O-N 3.16Å
404	V	68.5	Low	72.7	Confident	10 Å²	10	69.2 Å²	69.2	6%	0.061	34%	0.339	C	S	.	.	H	α-helix	trans	-60.1	-49.4	178.3	169.4	0	0	0	0	110.2	P369 L400 Q401 L406 Q407 E408	P369-V404 HydrophobicContact CB-CG1 3.48Å; P369-V404 VanDerWaalsContact CB-CG1 3.48Å; P369-V404 HydrophobicContact CG-CG1 3.95Å; L400-V404 HydrophobicContact CD1-CG2 4.26Å; L400-V404 WeakPolarHBondContact O-CG2 3.15Å; L400-V404 PolarHBondContact O-N 3.42Å; Q401-V404 PolarHBondContact O-N 3.47Å; V404-L406 PolarHBondContact O-N 3.37Å; V404-Q407 PolarHBondContact O-N 3.2Å; V404-E408 WeakPolarHBondContact O-CG 3.08Å; V404-E408 PolarHBondContact O-N 3.09Å
405	V	71.9	Confident	73.4	Confident	33 Å²	33	68.2 Å²	68.2	20%	0.2	33%	0.333	C	S	.	.	H	α-helix	trans	-61.5	-44.7	176.1	173.5	0	0	0	0	111.6	F334 Q401 M402 Q407 E408 M409	F334-V405 HydrophobicContact CB-CG2 4.22Å; F334-V405 HydrophobicContact CD2-CG1 4.01Å; F334-V405 HydrophobicContact CD2-CG2 4.01Å; F334-V405 HydrophobicContact CE2-CG1 4.23Å; F334-V405 HydrophobicContact CG-CG1 4.27Å; F334-V405 HydrophobicContact CG-CG2 4.34Å; Q401-V405 WeakPolarHBondContact O-CG2 3.46Å; Q401-V405 PolarHBondContact O-N 3.41Å; M402-V405 PolarHBondContact O-N 3.46Å; V405-Q407 VanDerWaalsContact C-N 3.33Å; V405-Q407 PolarHBondContact O-N 3.18Å; V405-E408 PolarHBondContact O-N 3.33Å; V405-M409 HydrophobicContact CG1-CE 3.68Å; V405-M409 HydrophobicContact CG1-CG 4.25Å; V405-M409 HydrophobicContact CG1-SD 3.82Å; V405-M409 WeakPolarHBondContact O-CB 3.29Å; V405-M409 VanDerWaalsContact O-CG 3.29Å; V405-M409 WeakPolarHBondContact O-CG 3.48Å; V405-M409 PolarHBondContact O-N 3.43Å
406	L	73.9	Confident	74.2	Confident	35 Å²	35	69.9 Å²	69.9	18%	0.183	35%	0.354	C	S	.	.	H	α-helix	trans	-64.2	-38.6	178	-69.7	169.6	0	0	0	111.5	W391 V398 M402 R403 V404 E408 M409 F410	W391-L406 HydrophobicContact CE3-CD1 4.47Å; W391-L406 HydrophobicContact CH2-CB 3.53Å; W391-L406 HydrophobicContact CH2-CD1 3.64Å; W391-L406 HydrophobicContact CH2-CG 4.11Å; W391-L406 HydrophobicContact CZ2-CB 3.55Å; W391-L406 HydrophobicContact CZ2-CD1 4.48Å; W391-L406 HydrophobicContact CZ3-CB 4.18Å; W391-L406 HydrophobicContact CZ3-CD1 3.61Å; V398-L406 HydrophobicContact CG1-CD1 4.2Å; M402-L406 HydrophobicContact CE-CD1 4.18Å; M402-L406 HydrophobicContact CG-CD1 3.79Å; M402-L406 HydrophobicContact CG-CG 4.21Å; M402-L406 VanDerWaalsContact O-CB 3.27Å; M402-L406 WeakPolarHBondContact O-CB 3.27Å; M402-L406 WeakPolarHBondContact O-CD1 3.48Å; M402-L406 WeakPolarHBondContact O-CG 3.3Å; M402-L406 PolarHBondContact O-N 2.83Å; R403-L406 PolarHBondContact O-N 3.41Å; V404-L406 PolarHBondContact O-N 3.37Å; L406-E408 VanDerWaalsContact C-N 3.33Å; L406-E408 PolarHBondContact O-N 3.04Å; L406-M409 PolarHBondContact O-N 3.14Å; L406-F410 HydrophobicContact CB-CD2 4.23Å; L406-F410 HydrophobicContact CB-CE2 4.49Å; L406-F410 HydrophobicContact CD2-CD2 4.46Å; L406-F410 HydrophobicContact CD2-CE2 3.93Å; L406-F410 VanDerWaalsContact O-CB 3.29Å; L406-F410 WeakPolarHBondContact O-CB 3.44Å; L406-F410 WeakPolarHBondContact O-CD2 3.29Å; L406-F410 PolarHBondContact O-N 2.84Å
407	Q	72.2	Confident	74.8	Confident	59 Å²	59	60.6 Å²	60.6	28%	0.276	32%	0.322	S	S	.	.	H	α-helix	trans	-63.4	-40.7	175.8	-177.9	173.5	-6.5	0	0	111.5	S387 R403 V404 V405 F410 S411	S387-Q407 PolarHBondContact OG-NE2 3.31Å; S387-Q407 PolarHBondContact OG-OE1 3.06Å; S387-Q407 VanDerWaalsContact OG-OE1 3.09Å; R403-Q407 VanDerWaalsContact O-CB 3.23Å; R403-Q407 WeakPolarHBondContact O-CB 3.05Å; R403-Q407 PolarHBondContact O-N 3.16Å; V404-Q407 PolarHBondContact O-N 3.2Å; V405-Q407 VanDerWaalsContact C-N 3.33Å; V405-Q407 PolarHBondContact O-N 3.18Å; Q407-F410 CarbonylContact O-C 3.59Å; Q407-S411 PolarHBondContact O-N 3.23Å
408	E	70.6	Confident	75.4	Confident	14 Å²	14	57.1 Å²	57.1	7%	0.065	31%	0.305	C	S	.	.	H	α-helix	trans	-67.2	-43.5	173.9	-68.7	-169.2	154.2	0	0	112.1	R291 N370 V404 V405 L406 F410 S411	R291-E408 IonicContact CZ-OE1 3.51Å; R291-E408 IonicContact NE-OE1 2.57Å; R291-E408 IonicContact NH2-OE1 3.17Å; R291-E408 PolarHBondContact NH2-OE1 3.34Å; R291-E408 IonicContact NH2-OE2 2.59Å; R291-E408 PolarHBondContact NH2-OE2 3.27Å; N370-E408 PolarHBondContact N-OE1 2.84Å; V404-E408 WeakPolarHBondContact O-CG 3.08Å; V404-E408 PolarHBondContact O-N 3.09Å; V405-E408 PolarHBondContact O-N 3.33Å; L406-E408 VanDerWaalsContact C-N 3.33Å; L406-E408 PolarHBondContact O-N 3.04Å; E408-F410 VanDerWaalsContact C-N 3.33Å; E408-F410 PolarHBondContact O-N 3.29Å; E408-S411 PolarHBondContact O-N 3.45Å; E408-S411 PolarHBondContact O-OG 2.93Å
409	M	72	Confident	76.4	Confident	48 Å²	48	56.4 Å²	56.4	24%	0.236	30%	0.301	C	S	.	.	H	α-helix	trans	-66.8	-32	177.9	-72.7	-179.3	170.3	0	0	113	F334 V405 L406 T543 N544	F334-M409 HydrophobicContact CD1-CE 4.22Å; F334-M409 HydrophobicContact CE1-CE 3.57Å; F334-M409 HydrophobicContact CE2-CE 4.42Å; F334-M409 HydrophobicContact CZ-CE 3.69Å; V405-M409 HydrophobicContact CG1-CE 3.68Å; V405-M409 HydrophobicContact CG1-CG 4.25Å; V405-M409 HydrophobicContact CG1-SD 3.82Å; V405-M409 WeakPolarHBondContact O-CB 3.29Å; V405-M409 VanDerWaalsContact O-CG 3.29Å; V405-M409 WeakPolarHBondContact O-CG 3.48Å; V405-M409 PolarHBondContact O-N 3.43Å; L406-M409 PolarHBondContact O-N 3.14Å; M409-T543 HydrophobicContact CE-CG2 4.32Å; M409-T543 HydrophobicContact CG-CG2 4.42Å; M409-N544 PolarHBondContact O-OD1 2.69Å
410	F	74.2	Confident	77.5	Confident	92 Å²	92	53 Å²	53	40%	0.404	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	29.1	176.5	-68.7	-65	0	0	0	112.8	W391 L406 Q407 E408 F412	W391-F410 HydrophobicContact CH2-CD2 4.16Å; W391-F410 HydrophobicContact CH2-CE2 4.32Å; W391-F410 AromaticContact CZ2-CD2 3.9Å; W391-F410 HydrophobicContact CZ2-CD2 3.9Å; L406-F410 HydrophobicContact CB-CD2 4.23Å; L406-F410 HydrophobicContact CB-CE2 4.49Å; L406-F410 HydrophobicContact CD2-CD2 4.46Å; L406-F410 HydrophobicContact CD2-CE2 3.93Å; L406-F410 VanDerWaalsContact O-CB 3.29Å; L406-F410 WeakPolarHBondContact O-CB 3.44Å; L406-F410 WeakPolarHBondContact O-CD2 3.29Å; L406-F410 PolarHBondContact O-N 2.84Å; Q407-F410 CarbonylContact O-C 3.59Å; E408-F410 VanDerWaalsContact C-N 3.33Å; E408-F410 PolarHBondContact O-N 3.29Å; F410-F412 HydrophobicContact CB-CE2 4.15Å; F410-F412 HydrophobicContact CD1-CE2 4.11Å; F410-F412 HydrophobicContact CD1-CZ 4.05Å; F410-F412 VanDerWaalsContact O-CD2 3.23Å; F410-F412 WeakPolarHBondContact O-CD2 3.29Å; F410-F412 PolarHBondContact O-N 3.35Å
411	S	74.1	Confident	78.8	Confident	40 Å²	40	53.8 Å²	53.8	28%	0.28	28%	0.284	S	S	.	.			trans	-83.2	83.9	173.4	56.1	0	0	0	0	110.7	Q407 E408 E413 L414 N544	Q407-S411 PolarHBondContact O-N 3.23Å; E408-S411 PolarHBondContact O-N 3.45Å; E408-S411 PolarHBondContact O-OG 2.93Å; S411-E413 PolarHBondContact O-N 3.35Å; S411-L414 PolarHBondContact O-N 3.47Å; S411-N544 PolarHBondContact O-ND2 3.4Å; S411-N544 PolarHBondContact O-OD1 2.8Å; S411-N544 PolarHBondContact OG-ND2 3.37Å; S411-N544 PolarHBondContact OG-OD1 3.39Å
412	F	80.3	Confident	80.1	Confident	112 Å²	112	51.6 Å²	51.6	49%	0.491	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-64.8	-2.8	178.2	-66.2	-80.2	0	0	0	114.4	F410 L414 M415 L548	F410-F412 HydrophobicContact CB-CE2 4.15Å; F410-F412 HydrophobicContact CD1-CE2 4.11Å; F410-F412 HydrophobicContact CD1-CZ 4.05Å; F410-F412 VanDerWaalsContact O-CD2 3.23Å; F410-F412 WeakPolarHBondContact O-CD2 3.29Å; F410-F412 PolarHBondContact O-N 3.35Å; F412-L414 PolarHBondContact O-N 2.89Å; F412-L414 VanDerWaalsContact O-N 3.16Å; F412-M415 HydrophobicContact CD1-CG 4.16Å; F412-M415 VanDerWaalsContact O-CB 3.27Å; F412-M415 WeakPolarHBondContact O-CB 3.42Å; F412-M415 PolarHBondContact O-N 2.93Å; F412-L548 HydrophobicContact CD1-CD2 3.72Å; F412-L548 HydrophobicContact CE1-CD2 3.54Å; F412-L548 HydrophobicContact CZ-CD2 4.27Å
413	E	80.5	Confident	81.3	Confident	177 Å²	177	46.9 Å²	46.9	83%	0.827	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-53.3	-34.3	171.7	-172.6	176.6	179.9	0	0	111.5	S411 M415 G416	S411-E413 PolarHBondContact O-N 3.35Å; E413-M415 PolarHBondContact O-N 2.9Å; E413-G416 PolarHBondContact O-N 3.02Å
414	L	83.2	Confident	82.5	Confident	16 Å²	16	45.4 Å²	45.4	8%	0.084	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-67.1	-22.9	177.2	-164.6	67.2	0	0	0	113.4	S411 F412 G416 N417 M420 L537 N541 N544 L548	S411-L414 PolarHBondContact O-N 3.47Å; F412-L414 PolarHBondContact O-N 2.89Å; F412-L414 VanDerWaalsContact O-N 3.16Å; L414-G416 PolarHBondContact O-N 3.21Å; L414-N417 HydrophobicContact CD1-CB 4.49Å; L414-N417 VanDerWaalsContact O-CB 3.29Å; L414-N417 WeakPolarHBondContact O-CB 3.23Å; L414-N417 PolarHBondContact O-N 3.09Å; L414-M420 HydrophobicContact CD2-CG 4.19Å; L414-M420 HydrophobicContact CD2-SD 4.17Å; L414-M420 HydrophobicContact CG-CB 4.15Å; L414-M420 HydrophobicContact CG-CG 3.97Å; L414-M420 WeakPolarHBondContact O-CB 3.2Å; L414-L537 HydrophobicContact CD2-CD1 4.3Å; L414-N541 HydrophobicContact CD1-CB 4.41Å; L414-N541 HydrophobicContact CD2-CB 4.36Å; L414-N544 WeakPolarHBondContact CB-ND2 3.35Å; L414-L548 HydrophobicContact CB-CD1 4.36Å
415	M	85.6	Confident	83.8	Confident	51 Å²	51	48.1 Å²	48.1	25%	0.251	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-67.9	-15.4	171	-68.7	-63.7	-65.7	0	0	112.5	F412 E413 N417 M420 V421 L548 F552	F412-M415 HydrophobicContact CD1-CG 4.16Å; F412-M415 VanDerWaalsContact O-CB 3.27Å; F412-M415 WeakPolarHBondContact O-CB 3.42Å; F412-M415 PolarHBondContact O-N 2.93Å; E413-M415 PolarHBondContact O-N 2.9Å; M415-N417 PolarHBondContact O-N 3.24Å; M415-M420 HydrophobicContact SD-CE 4.48Å; M415-M420 HydrophobicContact SD-CG 4.13Å; M415-V421 HydrophobicContact CE-CG2 4.16Å; M415-V421 WeakPolarHBondContact O-CG2 3.29Å; M415-L548 HydrophobicContact CG-CD1 4.29Å; M415-F552 HydrophobicContact CE-CE2 4Å; M415-F552 HydrophobicContact CE-CZ 3.8Å; M415-F552 HydrophobicContact SD-CE2 3.87Å; M415-F552 HydrophobicContact SD-CZ 4.25Å
416	G	84.5	Confident	85	Confident	73 Å²	73	46.7 Å²	46.7	75%	0.753	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-68.7	-20.1	167.7	0	0	0	0	0	112.9	E413 L414 L418	E413-G416 PolarHBondContact O-N 3.02Å; L414-G416 PolarHBondContact O-N 3.21Å; G416-L418 PolarHBondContact O-N 3.12Å
417	N	87.3	Confident	86	Confident	45 Å²	45	45.7 Å²	45.7	24%	0.241	25%	0.249	C	C	.	.	S	Bend	trans	-80.7	115.8	174.4	-173.3	-19.4	0	0	0	110.2	L414 M415 T419 M420 V421	L414-N417 HydrophobicContact CD1-CB 4.49Å; L414-N417 VanDerWaalsContact O-CB 3.29Å; L414-N417 WeakPolarHBondContact O-CB 3.23Å; L414-N417 PolarHBondContact O-N 3.09Å; M415-N417 PolarHBondContact O-N 3.24Å; N417-T419 PolarHBondContact O-N 3.47Å; N417-T419 VanDerWaalsContact O-N 3.13Å; N417-T419 VanDerWaalsContact OD1-CB 3.28Å; N417-T419 WeakPolarHBondContact OD1-CB 3.22Å; N417-T419 PolarHBondContact OD1-N 3.2Å; N417-T419 PolarHBondContact OD1-OG1 3.1Å; N417-M420 HydrophobicContact CB-CB 4.28Å; N417-M420 WeakPolarHBondContact O-CA 3.28Å; N417-M420 WeakPolarHBondContact O-CB 3.2Å; N417-M420 PolarHBondContact O-N 2.92Å; N417-V421 PolarHBondContact O-N 3.06Å; N417-V421 VanDerWaalsContact O-N 3.09Å
418	L	90.3	Very high	87.2	Confident	65 Å²	65	45.5 Å²	45.5	34%	0.34	25%	0.248	S	C	.	.	H	α-helix	trans	-57.8	-29.8	-179.7	-175.2	60.2	0	0	0	113.4	G416 V421 L422 M598	G416-L418 PolarHBondContact O-N 3.12Å; L418-V421 PolarHBondContact O-N 3.37Å; L418-L422 WeakPolarHBondContact O-CG 3.46Å; L418-L422 PolarHBondContact O-N 3.37Å; L418-M598 HydrophobicContact CD1-CE 3.43Å; L418-M598 VanDerWaalsContact CD1-CE 3.43Å; L418-M598 HydrophobicContact CD2-CB 4.32Å; L418-M598 HydrophobicContact CD2-CE 3.39Å; L418-M598 HydrophobicContact CG-CE 3.33Å
419	T	92.2	Very high	88.4	Confident	5 Å²	5	46.7 Å²	46.7	3%	0.031	25%	0.254	C	S	.	.	H	α-helix	trans	-64.7	-43.6	173.3	-59.7	0	0	0	0	111.5	N417 L422 L423 E536 L537 V595	N417-T419 PolarHBondContact O-N 3.47Å; N417-T419 VanDerWaalsContact O-N 3.13Å; N417-T419 VanDerWaalsContact OD1-CB 3.28Å; N417-T419 WeakPolarHBondContact OD1-CB 3.22Å; N417-T419 PolarHBondContact OD1-N 3.2Å; N417-T419 PolarHBondContact OD1-OG1 3.1Å; T419-L422 PolarHBondContact O-N 3.26Å; T419-L423 HydrophobicContact CG2-CD1 4.12Å; T419-L423 VanDerWaalsContact O-CG 3.31Å; T419-L423 WeakPolarHBondContact O-CG 3.26Å; T419-L423 PolarHBondContact O-N 3.44Å; T419-E536 HydrophobicContact CG2-CB 4.12Å; T419-L537 HydrophobicContact CG2-CD2 3.9Å; T419-V595 HydrophobicContact CG2-CG1 3.81Å
420	M	92.8	Very high	89.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.9	-42.2	176.4	178.2	60.1	-172.5	0	0	110.9	L414 M415 N417 L422 L423 A424 L537 L548	L414-M420 HydrophobicContact CD2-CG 4.19Å; L414-M420 HydrophobicContact CD2-SD 4.17Å; L414-M420 HydrophobicContact CG-CB 4.15Å; L414-M420 HydrophobicContact CG-CG 3.97Å; L414-M420 WeakPolarHBondContact O-CB 3.2Å; M415-M420 HydrophobicContact SD-CE 4.48Å; M415-M420 HydrophobicContact SD-CG 4.13Å; N417-M420 HydrophobicContact CB-CB 4.28Å; N417-M420 WeakPolarHBondContact O-CA 3.28Å; N417-M420 WeakPolarHBondContact O-CB 3.2Å; N417-M420 PolarHBondContact O-N 2.92Å; M420-L422 PolarHBondContact O-N 3.28Å; M420-L423 PolarHBondContact O-N 2.74Å; M420-A424 VanDerWaalsContact O-CB 3.3Å; M420-A424 WeakPolarHBondContact O-CB 3.3Å; M420-A424 PolarHBondContact O-N 2.72Å; M420-L537 HydrophobicContact CB-CD1 4.29Å; M420-L537 HydrophobicContact CB-CD2 4.22Å; M420-L537 HydrophobicContact SD-CD1 3.65Å; M420-L548 HydrophobicContact CE-CB 3.4Å; M420-L548 HydrophobicContact CE-CD1 3.99Å; M420-L548 HydrophobicContact CE-CG 4.36Å
421	V	93.6	Very high	90.7	Very high	47 Å²	47	40.1 Å²	40.1	29%	0.285	22%	0.224	S	C	.	.	H	α-helix	trans	-59	-46.9	176.9	177.7	0	0	0	0	111.2	M415 N417 L418 A424 V425	M415-V421 HydrophobicContact CE-CG2 4.16Å; M415-V421 WeakPolarHBondContact O-CG2 3.29Å; N417-V421 PolarHBondContact O-N 3.06Å; N417-V421 VanDerWaalsContact O-N 3.09Å; L418-V421 PolarHBondContact O-N 3.37Å; V421-A424 PolarHBondContact O-N 3.01Å; V421-V425 HydrophobicContact CG1-CG2 4.36Å; V421-V425 WeakPolarHBondContact O-CB 3.21Å; V421-V425 VanDerWaalsContact O-CG2 3.29Å; V421-V425 WeakPolarHBondContact O-CG2 3.2Å; V421-V425 PolarHBondContact O-N 3.02Å
422	L	93.9	Very high	91.7	Very high	24 Å²	24	38.9 Å²	38.9	13%	0.126	22%	0.215	C	C	.	.	H	α-helix	trans	-63.2	-42.7	176.9	-75.8	177.6	0	0	0	112.9	L418 T419 M420 A424 V425 S426 A594 V595 M598	L418-L422 WeakPolarHBondContact O-CG 3.46Å; L418-L422 PolarHBondContact O-N 3.37Å; T419-L422 PolarHBondContact O-N 3.26Å; M420-L422 PolarHBondContact O-N 3.28Å; L422-A424 VanDerWaalsContact C-N 3.32Å; L422-A424 PolarHBondContact O-N 3.04Å; L422-V425 PolarHBondContact O-N 3.39Å; L422-S426 WeakPolarHBondContact O-CB 3.35Å; L422-S426 PolarHBondContact O-N 2.97Å; L422-A594 HydrophobicContact CD1-CB 4.29Å; L422-V595 HydrophobicContact CB-CG2 3.76Å; L422-V595 HydrophobicContact CD1-CG2 4Å; L422-M598 HydrophobicContact CD1-CB 3.86Å; L422-M598 HydrophobicContact CD1-CE 3.47Å; L422-M598 VanDerWaalsContact CD1-CE 3.47Å; L422-M598 HydrophobicContact CD1-CG 4.05Å; L422-M598 HydrophobicContact CD1-SD 3.2Å; L422-M598 WeakPolarHBondContact CD1-SD 3.27Å; L422-M598 HydrophobicContact CD2-CE 3.86Å; L422-M598 HydrophobicContact CD2-SD 3.93Å; L422-M598 HydrophobicContact CG-CE 3.72Å; L422-M598 HydrophobicContact CG-SD 3.97Å
423	L	95.3	Very high	92.5	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.026	19%	0.191	C	C	.	.	H	α-helix	trans	-63.1	-40.6	177	-72.7	172.1	0	0	0	111.3	T419 M420 N427 L485 I532 L533 E536 L537 V595	T419-L423 HydrophobicContact CG2-CD1 4.12Å; T419-L423 VanDerWaalsContact O-CG 3.31Å; T419-L423 WeakPolarHBondContact O-CG 3.26Å; T419-L423 PolarHBondContact O-N 3.44Å; M420-L423 PolarHBondContact O-N 2.74Å; L423-N427 WeakPolarHBondContact O-CB 3.49Å; L423-N427 PolarHBondContact O-N 3.29Å; L423-N427 PolarHBondContact O-ND2 3.25Å; L423-L485 HydrophobicContact CD2-CD1 4.2Å; L423-I532 HydrophobicContact CD2-CG2 3.98Å; L423-L533 HydrophobicContact CD1-CD2 4.2Å; L423-E536 HydrophobicContact CD1-CB 4.14Å; L423-L537 HydrophobicContact CD1-CD1 4.19Å; L423-L537 HydrophobicContact CD1-CG 4.37Å; L423-V595 HydrophobicContact CD2-CG2 4.01Å; L423-V595 HydrophobicContact CG-CG2 4.15Å
424	A	95.5	Very high	93.2	Very high	2 Å²	2	25.3 Å²	25.3	2%	0.017	15%	0.153	C	C	.	.	H	α-helix	trans	-64.7	-48.4	175.8	0	0	0	0	0	111.8	M420 V421 L422 N427 F428 F552	M420-A424 VanDerWaalsContact O-CB 3.3Å; M420-A424 WeakPolarHBondContact O-CB 3.3Å; M420-A424 PolarHBondContact O-N 2.72Å; V421-A424 PolarHBondContact O-N 3.01Å; L422-A424 VanDerWaalsContact C-N 3.32Å; L422-A424 PolarHBondContact O-N 3.04Å; A424-N427 PolarHBondContact O-N 3.15Å; A424-F428 VanDerWaalsContact O-CB 3.24Å; A424-F428 WeakPolarHBondContact O-CB 3.44Å; A424-F428 PolarHBondContact O-N 2.7Å; A424-F552 HydrophobicContact CB-CD2 3.69Å; A424-F552 HydrophobicContact CB-CE2 3.91Å; A424-F552 HydrophobicContact CB-CG 4.24Å
425	V	95.7	Very high	93.7	Very high	68 Å²	68	25.3 Å²	25.3	41%	0.412	15%	0.152	S	C	.	.	H	α-helix	trans	-61.5	-45.9	176.8	169.8	0	0	0	0	111	V421 L422 N427 F428 L429	V421-V425 HydrophobicContact CG1-CG2 4.36Å; V421-V425 WeakPolarHBondContact O-CB 3.21Å; V421-V425 VanDerWaalsContact O-CG2 3.29Å; V421-V425 WeakPolarHBondContact O-CG2 3.2Å; V421-V425 PolarHBondContact O-N 3.02Å; L422-V425 PolarHBondContact O-N 3.39Å; V425-N427 PolarHBondContact O-N 3.45Å; V425-F428 PolarHBondContact O-N 3Å; V425-L429 HydrophobicContact CG1-CD1 3.95Å; V425-L429 HydrophobicContact CG1-CG 4.46Å; V425-L429 VanDerWaalsContact O-CG 3.32Å; V425-L429 WeakPolarHBondContact O-CG 3.41Å; V425-L429 PolarHBondContact O-N 3.17Å
426	S	96.4	Very high	94.1	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.014	14%	0.14	C	C	.	.	H	α-helix	trans	-57.8	-50.1	176.2	174.3	0	0	0	0	111.1	L422 F428 L429 G430 S588 S591	L422-S426 WeakPolarHBondContact O-CB 3.35Å; L422-S426 PolarHBondContact O-N 2.97Å; S426-F428 PolarHBondContact O-N 3.02Å; S426-L429 PolarHBondContact O-N 3.29Å; S426-G430 PolarHBondContact O-N 3.42Å; S426-S588 VanDerWaalsContact O-CB 3.24Å; S426-S588 WeakPolarHBondContact O-CB 3.19Å; S426-S588 PolarHBondContact O-OG 3.13Å; S426-S588 PolarHBondContact OG-O 2.75Å; S426-S588 PolarHBondContact OG-OG 3.46Å; S426-S591 VanDerWaalsContact CA-OG 3.27Å; S426-S591 WeakPolarHBondContact CA-OG 3.34Å; S426-S591 VanDerWaalsContact CB-OG 3.31Å; S426-S591 WeakPolarHBondContact CB-OG 3.36Å
427	N	96	Very high	94.6	Very high	14 Å²	14	19.4 Å²	19.4	8%	0.075	10%	0.104	C	C	.	.	H	α-helix	trans	-67.1	-37.1	179.7	-86.4	-101.3	0	0	0	112.9	L423 A424 V425 G430 M431 F525 L549 R553	L423-N427 WeakPolarHBondContact O-CB 3.49Å; L423-N427 PolarHBondContact O-N 3.29Å; L423-N427 PolarHBondContact O-ND2 3.25Å; A424-N427 PolarHBondContact O-N 3.15Å; V425-N427 PolarHBondContact O-N 3.45Å; N427-G430 PolarHBondContact O-N 3.43Å; N427-M431 VanDerWaalsContact O-CB 3.29Å; N427-M431 WeakPolarHBondContact O-CB 3.49Å; N427-M431 VanDerWaalsContact O-CG 3.23Å; N427-M431 WeakPolarHBondContact O-CG 3.32Å; N427-M431 PolarHBondContact O-N 3.33Å; N427-F525 WeakPolarHBondContact OD1-CE2 3.47Å; N427-L549 HydrophobicContact CB-CD1 3.55Å; N427-L549 HydrophobicContact CB-CG 4.15Å; N427-R553 HydrophobicContact CB-CG 4Å
428	F	96.6	Very high	94.9	Very high	56 Å²	56	17.5 Å²	17.5	25%	0.246	9%	0.093	C	C	.	.	H	α-helix	trans	-60.1	-53.2	175.9	-173.4	-91.7	0	0	0	110.7	A424 V425 S426 G430 M431 I432 F552 V555 A556	A424-F428 VanDerWaalsContact O-CB 3.24Å; A424-F428 WeakPolarHBondContact O-CB 3.44Å; A424-F428 PolarHBondContact O-N 2.7Å; V425-F428 PolarHBondContact O-N 3Å; S426-F428 PolarHBondContact O-N 3.02Å; F428-G430 VanDerWaalsContact C-N 3.34Å; F428-G430 PolarHBondContact O-N 3.47Å; F428-M431 PolarHBondContact O-N 2.88Å; F428-I432 HydrophobicContact CD1-CD1 3.96Å; F428-I432 HydrophobicContact CE1-CD1 3.6Å; F428-I432 HydrophobicContact CE1-CG1 4.49Å; F428-I432 HydrophobicContact CZ-CD1 4.28Å; F428-I432 WeakPolarHBondContact O-CG1 3.11Å; F428-I432 PolarHBondContact O-N 3.41Å; F428-F552 HydrophobicContact CB-CB 4.46Å; F428-F552 HydrophobicContact CD2-CB 4.19Å; F428-F552 HydrophobicContact CD2-CD1 4.13Å; F428-F552 VanDerWaalsContact CD2-O 3.29Å; F428-F552 WeakPolarHBondContact CD2-O 3.41Å; F428-V555 HydrophobicContact CE2-CB 4.04Å; F428-V555 HydrophobicContact CE2-CG1 3.85Å; F428-V555 HydrophobicContact CZ-CG1 4.41Å; F428-A556 HydrophobicContact CD2-CB 3.82Å; F428-A556 HydrophobicContact CE2-CB 4.05Å; F428-A556 HydrophobicContact CG-CB 4.14Å; F428-A556 WeakPolarHBondContact O-CB 3.43Å
429	L	97.3	Very high	95.1	Very high	38 Å²	38	14.7 Å²	14.7	20%	0.199	8%	0.079	C	C	.	.	H	α-helix	trans	-59.8	-43.8	177.6	-67.2	171.2	0	0	0	112	V425 S426 M431 I432 L584 L587	V425-L429 HydrophobicContact CG1-CD1 3.95Å; V425-L429 HydrophobicContact CG1-CG 4.46Å; V425-L429 VanDerWaalsContact O-CG 3.32Å; V425-L429 WeakPolarHBondContact O-CG 3.41Å; V425-L429 PolarHBondContact O-N 3.17Å; S426-L429 PolarHBondContact O-N 3.29Å; L429-M431 PolarHBondContact O-N 3.4Å; L429-I432 PolarHBondContact O-N 3.45Å; L429-L584 HydrophobicContact CD2-CD2 3.9Å; L429-L587 HydrophobicContact CD1-CB 4.14Å
430	G	97	Very high	95.3	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-64.3	-41.1	-178.7	0	0	0	0	0	111.8	S426 N427 F428 G433 F434 S588	S426-G430 PolarHBondContact O-N 3.42Å; N427-G430 PolarHBondContact O-N 3.43Å; F428-G430 VanDerWaalsContact C-N 3.34Å; F428-G430 PolarHBondContact O-N 3.47Å; G430-G433 PolarHBondContact O-N 2.92Å; G430-F434 VanDerWaalsContact O-CB 3.3Å; G430-F434 WeakPolarHBondContact O-CB 2.96Å; G430-F434 PolarHBondContact O-N 3.22Å; G430-S588 VanDerWaalsContact CA-CB 3.46Å; G430-S588 WeakPolarHBondContact CA-OG 3.26Å; G430-S588 PolarHBondContact N-OG 3.34Å
431	M	95.6	Very high	95.4	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-72.4	-26.6	-179	-74.8	-59	-61.5	0	0	114.5	L112 N427 F428 L429 G433 F434 Y435 F525 R553 A556	L112-M431 HydrophobicContact CD1-CE 3.78Å; N427-M431 VanDerWaalsContact O-CB 3.29Å; N427-M431 WeakPolarHBondContact O-CB 3.49Å; N427-M431 VanDerWaalsContact O-CG 3.23Å; N427-M431 WeakPolarHBondContact O-CG 3.32Å; N427-M431 PolarHBondContact O-N 3.33Å; F428-M431 PolarHBondContact O-N 2.88Å; L429-M431 PolarHBondContact O-N 3.4Å; M431-G433 VanDerWaalsContact C-N 3.31Å; M431-F434 HydrophobicContact CE-CD1 4.09Å; M431-F434 HydrophobicContact SD-CB 4.09Å; M431-F434 HydrophobicContact SD-CD1 4.2Å; M431-F434 HydrophobicContact SD-CG 4.08Å; M431-Y435 HydrophobicContact CE-CD2 4.11Å; M431-Y435 HydrophobicContact CE-CE2 3.4Å; M431-F525 HydrophobicContact CG-CE1 4.29Å; M431-F525 HydrophobicContact CG-CZ 4.35Å; M431-F525 HydrophobicContact SD-CE1 3.76Å; M431-F525 HydrophobicContact SD-CZ 4.35Å; M431-R553 HydrophobicContact CB-CB 4.48Å; M431-R553 HydrophobicContact CE-CB 4.47Å; M431-R553 HydrophobicContact CG-CB 3.7Å; M431-R553 HydrophobicContact CG-CG 3.55Å; M431-R553 HydrophobicContact SD-CG 4.46Å; M431-R553 PolarHBondContact SD-NE 2.82Å; M431-R553 PolarHBondContact SD-NH2 3.41Å; M431-A556 HydrophobicContact CB-CB 3.62Å
432	I	96	Very high	95.4	Very high	15 Å²	15	12.3 Å²	12.3	8%	0.077	7%	0.065	C	C	.	.	H	α-helix	trans	-61.6	-43.4	171.6	-66.3	175.5	0	0	0	109.9	F428 L429 A556 G560 F580 L584	F428-I432 HydrophobicContact CD1-CD1 3.96Å; F428-I432 HydrophobicContact CE1-CD1 3.6Å; F428-I432 HydrophobicContact CE1-CG1 4.49Å; F428-I432 HydrophobicContact CZ-CD1 4.28Å; F428-I432 WeakPolarHBondContact O-CG1 3.11Å; F428-I432 PolarHBondContact O-N 3.41Å; L429-I432 PolarHBondContact O-N 3.45Å; I432-A556 HydrophobicContact CG1-CB 3.75Å; I432-G560 VanDerWaalsContact O-CA 3.3Å; I432-G560 WeakPolarHBondContact O-CA 3.33Å; I432-F580 HydrophobicContact CG2-CE1 4.02Å; I432-F580 HydrophobicContact CG2-CZ 3.89Å; I432-L584 HydrophobicContact CB-CD1 3.9Å; I432-L584 HydrophobicContact CG2-CD1 3.32Å
433	G	96.2	Very high	95.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-82.6	-26.5	178.5	0	0	0	0	0	114.6	G430 M431 Y435 V436 P437	G430-G433 PolarHBondContact O-N 2.92Å; M431-G433 VanDerWaalsContact C-N 3.31Å; G433-Y435 PolarHBondContact O-N 2.93Å; G433-V436 WeakPolarHBondContact O-CB 3.48Å; G433-V436 PolarHBondContact O-N 3.48Å; G433-V436 VanDerWaalsContact O-N 3.15Å; G433-P437 VanDerWaalsContact O-CD 3.29Å; G433-P437 WeakPolarHBondContact O-CD 3.22Å
434	F	95.6	Very high	95.4	Very high	4 Å²	4	12.4 Å²	12.4	2%	0.018	7%	0.067	C	C	.	.	H	α-helix	trans	-55.1	-45.1	-170	174.9	-93.7	0	0	0	114.5	F80 G430 M431 F438 I522 F525 V526	F80-F434 AromaticContact CE1-CE1 3.93Å; F80-F434 HydrophobicContact CE1-CE1 3.93Å; F80-F434 HydrophobicContact CE1-CZ 4.2Å; F80-F434 HydrophobicContact CZ-CE1 4.45Å; F80-F434 HydrophobicContact CZ-CZ 4.4Å; G430-F434 VanDerWaalsContact O-CB 3.3Å; G430-F434 WeakPolarHBondContact O-CB 2.96Å; G430-F434 PolarHBondContact O-N 3.22Å; M431-F434 HydrophobicContact CE-CD1 4.09Å; M431-F434 HydrophobicContact SD-CB 4.09Å; M431-F434 HydrophobicContact SD-CD1 4.2Å; M431-F434 HydrophobicContact SD-CG 4.08Å; F434-F438 HydrophobicContact CE1-CD2 4.49Å; F434-F438 HydrophobicContact CE1-CE2 4.2Å; F434-F438 HydrophobicContact CE2-CE2 4.42Å; F434-F438 AromaticContact CZ-CE2 4Å; F434-F438 HydrophobicContact CZ-CE2 4Å; F434-I522 HydrophobicContact CD2-CD1 4.11Å; F434-I522 HydrophobicContact CD2-CG1 3.64Å; F434-I522 HydrophobicContact CE2-CD1 4.49Å; F434-I522 HydrophobicContact CE2-CG1 3.57Å; F434-I522 HydrophobicContact CE2-CG2 4.46Å; F434-F525 HydrophobicContact CD2-CD1 4.1Å; F434-F525 HydrophobicContact CD2-CE1 4.37Å; F434-F525 HydrophobicContact CE2-CD1 4.46Å; F434-V526 HydrophobicContact CE2-CG2 3.64Å; F434-V526 HydrophobicContact CZ-CG2 3.78Å
435	Y	93.6	Very high	95.5	Very high	16 Å²	16	12.3 Å²	12.3	6%	0.063	7%	0.066	C	C	.	.	H	α-helix	trans	-81.7	-14.4	-176.7	-74.1	-68	0	0	0	113.5	V79 F80 L112 M431 G433 F438 V439 S557	V79-Y435 HydrophobicContact CG1-CD1 4.38Å; V79-Y435 HydrophobicContact CG1-CE1 3.62Å; F80-Y435 HydrophobicContact CD1-CE1 4.21Å; F80-Y435 HydrophobicContact CE1-CD1 4.35Å; F80-Y435 AromaticContact CE1-CE1 3.79Å; F80-Y435 HydrophobicContact CE1-CE1 3.79Å; L112-Y435 HydrophobicContact CD1-CE2 4.47Å; M431-Y435 HydrophobicContact CE-CD2 4.11Å; M431-Y435 HydrophobicContact CE-CE2 3.4Å; G433-Y435 PolarHBondContact O-N 2.93Å; Y435-F438 PolarHBondContact O-N 2.87Å; Y435-V439 WeakPolarHBondContact O-CG2 3.39Å; Y435-V439 PolarHBondContact O-N 3.21Å; Y435-S557 VanDerWaalsContact CE2-CB 3.49Å
436	V	95.6	Very high	95.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-58.9	-47.7	-176.4	174.2	0	0	0	0	111.6	G433 F438 V439 Y440 A564 F578 A581	G433-V436 WeakPolarHBondContact O-CB 3.48Å; G433-V436 PolarHBondContact O-N 3.48Å; G433-V436 VanDerWaalsContact O-N 3.15Å; V436-F438 VanDerWaalsContact C-N 3.34Å; V436-F438 PolarHBondContact O-N 3.31Å; V436-V439 PolarHBondContact O-N 3.3Å; V436-Y440 HydrophobicContact CB-CD2 4.31Å; V436-Y440 HydrophobicContact CG1-CD2 3.74Å; V436-Y440 HydrophobicContact CG1-CE2 4.41Å; V436-Y440 WeakPolarHBondContact O-CD2 3.4Å; V436-Y440 PolarHBondContact O-N 2.94Å; V436-A564 HydrophobicContact CB-CB 4.49Å; V436-A564 HydrophobicContact CG1-CB 4.08Å; V436-A564 HydrophobicContact CG2-CB 3.6Å; V436-F578 HydrophobicContact CG1-CD1 4.46Å; V436-F578 HydrophobicContact CG1-CE1 4.49Å; V436-A581 HydrophobicContact CB-CB 3.67Å; V436-A581 HydrophobicContact CG1-CB 3.71Å; V436-A581 HydrophobicContact CG2-CB 3.86Å
437	P	94.6	Very high	95.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-59.9	-38.5	173.3	-29.5	40.2	0	0	0	114.1	G433 V439 T441 T499 Y514 F518 F578	G433-P437 VanDerWaalsContact O-CD 3.29Å; G433-P437 WeakPolarHBondContact O-CD 3.22Å; P437-V439 VanDerWaalsContact C-N 3.34Å; P437-V439 PolarHBondContact O-N 3.16Å; P437-T441 WeakPolarHBondContact O-CB 3.28Å; P437-T441 PolarHBondContact O-N 3.34Å; P437-T441 PolarHBondContact O-OG1 2.99Å; P437-T499 HydrophobicContact CG-CG2 3.9Å; P437-Y514 WeakPolarHBondContact CG-OH 3.14Å; P437-F518 HydrophobicContact CB-CD1 4.25Å; P437-F518 HydrophobicContact CB-CE1 3.79Å; P437-F518 HydrophobicContact CB-CE2 4.4Å; P437-F518 HydrophobicContact CB-CZ 3.89Å; P437-F518 HydrophobicContact CG-CD2 4.49Å; P437-F518 HydrophobicContact CG-CE1 4.01Å; P437-F518 HydrophobicContact CG-CE2 3.83Å; P437-F518 HydrophobicContact CG-CZ 3.55Å; P437-F578 HydrophobicContact CG-CE1 4.43Å
438	F	92.4	Very high	95.2	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.018	9%	0.094	C	C	.	.	H	α-helix	trans	-69.7	-31.8	178	-69.1	-81.2	0	0	0	112.6	F80 F434 Y435 V436 L459 L462 F518	F80-F438 HydrophobicContact CB-CD1 4.1Å; F80-F438 HydrophobicContact CD1-CB 4.29Å; F80-F438 AromaticContact CD1-CD1 3.57Å; F80-F438 HydrophobicContact CD1-CD1 3.57Å; F80-F438 HydrophobicContact CD1-CD2 4.05Å; F80-F438 AromaticContact CD1-CE1 3.79Å; F80-F438 HydrophobicContact CD1-CE1 3.79Å; F80-F438 HydrophobicContact CD1-CE2 4.25Å; F80-F438 AromaticContact CD1-CG 3.71Å; F80-F438 HydrophobicContact CD1-CG 3.71Å; F80-F438 HydrophobicContact CD1-CZ 4.13Å; F80-F438 HydrophobicContact CE1-CD1 4.26Å; F80-F438 HydrophobicContact CE1-CD2 4.12Å; F80-F438 HydrophobicContact CE1-CE1 4.15Å; F80-F438 HydrophobicContact CE1-CE2 4Å; F80-F438 HydrophobicContact CE1-CG 4.25Å; F80-F438 HydrophobicContact CE1-CZ 4.02Å; F80-F438 HydrophobicContact CG-CD1 4.04Å; F80-F438 HydrophobicContact CG-CE1 4.17Å; F434-F438 HydrophobicContact CE1-CD2 4.49Å; F434-F438 HydrophobicContact CE1-CE2 4.2Å; F434-F438 HydrophobicContact CE2-CE2 4.42Å; F434-F438 AromaticContact CZ-CE2 4Å; F434-F438 HydrophobicContact CZ-CE2 4Å; Y435-F438 PolarHBondContact O-N 2.87Å; V436-F438 VanDerWaalsContact C-N 3.34Å; V436-F438 PolarHBondContact O-N 3.31Å; F438-L459 WeakPolarHBondContact O-CD2 3.09Å; F438-L462 HydrophobicContact CD1-CD1 4.45Å; F438-L462 HydrophobicContact CE1-CB 4.11Å; F438-F518 HydrophobicContact CE2-CE1 4.02Å; F438-F518 HydrophobicContact CZ-CE1 4.47Å
439	V	94.5	Very high	95.1	Very high	7 Å²	7	18.1 Å²	18.1	4%	0.042	12%	0.117	C	C	.	.	H	α-helix	trans	-85.4	-41.7	-177.6	176.4	0	0	0	0	111.9	Y82 G83 L86 Y435 V436 P437	Y82-V439 HydrophobicContact CD1-CG1 4.33Å; Y82-V439 HydrophobicContact CD1-CG2 4.34Å; Y82-V439 HydrophobicContact CE1-CG1 4.48Å; G83-V439 WeakPolarHBondContact CA-O 3.24Å; L86-V439 HydrophobicContact CD2-CG1 3.8Å; Y435-V439 WeakPolarHBondContact O-CG2 3.39Å; Y435-V439 PolarHBondContact O-N 3.21Å; V436-V439 PolarHBondContact O-N 3.3Å; P437-V439 VanDerWaalsContact C-N 3.34Å; P437-V439 PolarHBondContact O-N 3.16Å
440	Y	96.2	Very high	95	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-108.1	-9.1	-165.9	-61.6	-69.3	0	0	0	115.5	L86 V97 A101 V436 A442 A443 Y444 S561 A564 G565 F574	L86-Y440 HydrophobicContact CD2-CD1 4.07Å; L86-Y440 HydrophobicContact CD2-CE1 3.7Å; V97-Y440 HydrophobicContact CG1-CE1 3.64Å; A101-Y440 WeakPolarHBondContact CB-OH 3.49Å; V436-Y440 HydrophobicContact CB-CD2 4.31Å; V436-Y440 HydrophobicContact CG1-CD2 3.74Å; V436-Y440 HydrophobicContact CG1-CE2 4.41Å; V436-Y440 WeakPolarHBondContact O-CD2 3.4Å; V436-Y440 PolarHBondContact O-N 2.94Å; Y440-A442 PolarHBondContact O-N 3.26Å; Y440-A443 PolarHBondContact O-N 3.36Å; Y440-Y444 WeakPolarHBondContact O-CB 3.42Å; Y440-Y444 PolarHBondContact O-N 3.28Å; Y440-S561 PolarHBondContact OH-O 3.07Å; Y440-A564 HydrophobicContact CD2-CB 4.36Å; Y440-A564 HydrophobicContact CE2-CB 3.75Å; Y440-G565 WeakPolarHBondContact OH-CA 3.47Å; Y440-G565 PolarHBondContact OH-N 3.32Å; Y440-F574 HydrophobicContact CD1-CD1 4.2Å; Y440-F574 AromaticContact CD1-CE1 3.56Å; Y440-F574 HydrophobicContact CD1-CE1 3.56Å; Y440-F574 HydrophobicContact CD1-CZ 4.49Å; Y440-F574 HydrophobicContact CE1-CE1 4.3Å; Y440-F574 HydrophobicContact CG-CD1 4.41Å; Y440-F574 HydrophobicContact CG-CE1 4.19Å
441	T	95.6	Very high	94.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.4	-45.1	-179.8	-67.9	0	0	0	0	112.2	P437 Y444 A445 L458 F502	P437-T441 WeakPolarHBondContact O-CB 3.28Å; P437-T441 PolarHBondContact O-N 3.34Å; P437-T441 PolarHBondContact O-OG1 2.99Å; T441-Y444 PolarHBondContact O-N 3.41Å; T441-A445 PolarHBondContact O-N 3.24Å; T441-L458 HydrophobicContact CG2-CB 3.92Å; T441-L458 HydrophobicContact CG2-CD1 3.91Å; T441-F502 HydrophobicContact CG2-CE1 4.4Å; T441-F502 HydrophobicContact CG2-CE2 4.36Å; T441-F502 HydrophobicContact CG2-CZ 3.74Å
442	A	94.3	Very high	94.7	Very high	2 Å²	2	27.4 Å²	27.4	2%	0.017	17%	0.168	C	C	.	.	H	α-helix	trans	-66.1	-47.4	179.2	0	0	0	0	0	111.4	Y440 Y444 A445 E446 L459	Y440-A442 PolarHBondContact O-N 3.26Å; A442-Y444 VanDerWaalsContact C-N 3.29Å; A442-Y444 PolarHBondContact O-N 3.44Å; A442-A445 PolarHBondContact O-N 3.22Å; A442-A445 VanDerWaalsContact O-N 3.13Å; A442-E446 WeakPolarHBondContact O-CG 3.44Å; A442-E446 PolarHBondContact O-N 3.02Å; A442-L459 HydrophobicContact CB-CD1 3.72Å; A442-L459 HydrophobicContact CB-CG 4.37Å
443	A	94.1	Very high	94.5	Very high	15 Å²	15	31.2 Å²	31.2	12%	0.124	20%	0.197	C	C	.	.	H	α-helix	trans	-59	-38.9	176.5	0	0	0	0	0	112.6	Y440 E446 S447 F574	Y440-A443 PolarHBondContact O-N 3.36Å; A443-E446 PolarHBondContact O-N 3.2Å; A443-S447 WeakPolarHBondContact O-CB 3.27Å; A443-S447 PolarHBondContact O-N 2.93Å; A443-F574 HydrophobicContact CB-CE1 4.49Å; A443-F574 HydrophobicContact CB-CE2 4.29Å; A443-F574 HydrophobicContact CB-CZ 3.81Å
444	Y	95	Very high	94.4	Very high	16 Å²	16	32.3 Å²	32.3	6%	0.063	21%	0.206	C	C	.	.	H	α-helix	trans	-64.4	-45.7	174.4	179.9	-111.4	0	0	0	112.2	Y440 T441 A442 E446 S447 L448 F502 P503 M511 F574 F578	Y440-Y444 WeakPolarHBondContact O-CB 3.42Å; Y440-Y444 PolarHBondContact O-N 3.28Å; T441-Y444 PolarHBondContact O-N 3.41Å; A442-Y444 VanDerWaalsContact C-N 3.29Å; A442-Y444 PolarHBondContact O-N 3.44Å; Y444-E446 VanDerWaalsContact C-N 3.34Å; Y444-E446 PolarHBondContact O-N 2.95Å; Y444-S447 PolarHBondContact O-N 2.8Å; Y444-S447 PolarHBondContact O-OG 2.92Å; Y444-L448 HydrophobicContact CE1-CD1 4.11Å; Y444-L448 PolarHBondContact O-N 2.99Å; Y444-F502 HydrophobicContact CD1-CD1 4.07Å; Y444-F502 AromaticContact CD1-CE1 3.28Å; Y444-F502 HydrophobicContact CD1-CE1 3.28Å; Y444-F502 AromaticContact CD1-CZ 3.65Å; Y444-F502 HydrophobicContact CD1-CZ 3.65Å; Y444-F502 HydrophobicContact CE1-CD1 4.41Å; Y444-F502 AromaticContact CE1-CE1 3.98Å; Y444-F502 HydrophobicContact CE1-CE1 3.98Å; Y444-F502 HydrophobicContact CE1-CZ 4.28Å; Y444-F502 AromaticContact CG-CE1 3.94Å; Y444-F502 HydrophobicContact CG-CE1 3.94Å; Y444-P503 PolarHBondContact OH-O 3.33Å; Y444-M511 HydrophobicContact CD1-CE 3.83Å; Y444-M511 HydrophobicContact CE1-CE 3.65Å; Y444-F574 HydrophobicContact CD2-CB 3.74Å; Y444-F574 AromaticContact CD2-CD2 3.95Å; Y444-F574 HydrophobicContact CD2-CD2 3.95Å; Y444-F574 HydrophobicContact CD2-CG 4.19Å; Y444-F574 HydrophobicContact CE2-CB 4.44Å; Y444-F574 HydrophobicContact CG-CB 4.5Å; Y444-F578 HydrophobicContact CG-CE2 4.41Å
445	A	96.3	Very high	94.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-42.2	177.3	0	0	0	0	0	112.1	T441 A442 S447 L448 N450 S455 L458 M511	T441-A445 PolarHBondContact O-N 3.24Å; A442-A445 PolarHBondContact O-N 3.22Å; A442-A445 VanDerWaalsContact O-N 3.13Å; A445-S447 VanDerWaalsContact C-N 3.33Å; A445-S447 PolarHBondContact O-N 2.89Å; A445-L448 PolarHBondContact O-N 3.35Å; A445-N450 HydrophobicContact CB-CB 4.39Å; A445-N450 VanDerWaalsContact O-CB 3.31Å; A445-N450 WeakPolarHBondContact O-CB 3.41Å; A445-N450 PolarHBondContact O-N 3.3Å; A445-N450 PolarHBondContact O-ND2 3.06Å; A445-S455 WeakPolarHBondContact CB-OG 3.2Å; A445-L458 HydrophobicContact CB-CD1 3.69Å; A445-M511 HydrophobicContact CB-CE 4.4Å; A445-M511 HydrophobicContact CB-SD 3.72Å
446	E	94.2	Very high	94.4	Very high	44 Å²	44	32.1 Å²	32.1	21%	0.206	21%	0.206	C	C	.	.	H	α-helix	trans	-63.5	-38	174.3	-68	-179.1	-174.6	0	0	112.2	A442 A443 Y444 L448 G449 H452 S455	A442-E446 WeakPolarHBondContact O-CG 3.44Å; A442-E446 PolarHBondContact O-N 3.02Å; A443-E446 PolarHBondContact O-N 3.2Å; Y444-E446 VanDerWaalsContact C-N 3.34Å; Y444-E446 PolarHBondContact O-N 2.95Å; E446-L448 PolarHBondContact O-N 2.98Å; E446-G449 WeakPolarHBondContact O-CA 3.09Å; E446-G449 PolarHBondContact O-N 2.99Å; E446-H452 IonicContact OE1-CE1 3.74Å; E446-H452 IonicContact OE1-CG 3.71Å; E446-H452 IonicContact OE1-ND1 2.79Å; E446-H452 PolarHBondContact OE1-ND1 3.4Å; E446-H452 IonicContact OE2-CE1 3.34Å; E446-H452 PolarHBondContact OE2-CE1 3.38Å; E446-H452 IonicContact OE2-ND1 3.2Å; E446-H452 PolarHBondContact OE2-ND1 3.47Å; E446-S455 VanDerWaalsContact CG-OG 3.27Å; E446-S455 WeakPolarHBondContact CG-OG 3.12Å; E446-S455 PolarHBondContact N-OG 3.3Å
447	S	92.7	Very high	94.3	Very high	72 Å²	72	36.2 Å²	36.2	50%	0.503	23%	0.227	S	C	.	.	H	α-helix	trans	-63.1	-23.2	177	78.5	0	0	0	0	113.7	A443 Y444 A445 G449	A443-S447 WeakPolarHBondContact O-CB 3.27Å; A443-S447 PolarHBondContact O-N 2.93Å; Y444-S447 PolarHBondContact O-N 2.8Å; Y444-S447 PolarHBondContact O-OG 2.92Å; A445-S447 VanDerWaalsContact C-N 3.33Å; A445-S447 PolarHBondContact O-N 2.89Å; S447-G449 VanDerWaalsContact C-N 3.32Å
448	L	94.9	Very high	94.4	Very high	74 Å²	74	36.2 Å²	36.2	39%	0.387	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	4.6	171.9	-60.5	-169.9	0	0	0	113.5	Y444 A445 E446 L506 M511	Y444-L448 HydrophobicContact CE1-CD1 4.11Å; Y444-L448 PolarHBondContact O-N 2.99Å; A445-L448 PolarHBondContact O-N 3.35Å; E446-L448 PolarHBondContact O-N 2.98Å; L448-L506 HydrophobicContact CD1-CB 4.46Å; L448-L506 HydrophobicContact CD1-CD2 4.04Å; L448-L506 HydrophobicContact CD2-CD2 4.48Å; L448-M511 HydrophobicContact CD1-CE 3.33Å; L448-M511 HydrophobicContact CG-CE 4.25Å
449	G	94.4	Very high	94.5	Very high	71 Å²	71	36.2 Å²	36.2	73%	0.732	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.7	14.6	178.4	0	0	0	0	0	115.2	E446 S447	E446-G449 WeakPolarHBondContact O-CA 3.09Å; E446-G449 PolarHBondContact O-N 2.99Å; S447-G449 VanDerWaalsContact C-N 3.32Å
450	N	96.2	Very high	94.5	Very high	41 Å²	41	36.3 Å²	36.3	22%	0.219	23%	0.228	C	C	.	.			trans	-71.8	148.8	171.7	-63.4	-83	0	0	0	110.5	A445	A445-N450 HydrophobicContact CB-CB 4.39Å; A445-N450 VanDerWaalsContact O-CB 3.31Å; A445-N450 WeakPolarHBondContact O-CB 3.41Å; A445-N450 PolarHBondContact O-N 3.3Å; A445-N450 PolarHBondContact O-ND2 3.06Å
451	S	95.2	Very high	94.5	Very high	72 Å²	72	38.2 Å²	38.2	50%	0.503	24%	0.238	S	C	.	.			trans	-65.9	149	178	65.9	0	0	0	0	111.7	S453 A454 S455	S451-S453 PolarHBondContact O-N 3.41Å; S451-A454 PolarHBondContact O-N 2.77Å; S451-A454 WeakPolarHBondContact OG-CB 3.22Å; S451-A454 PolarHBondContact OG-N 3.44Å; S451-S455 PolarHBondContact O-N 3.27Å; S451-S455 PolarHBondContact O-OG 3.2Å
452	H	91.1	Very high	94.5	Very high	122 Å²	122	38.2 Å²	38.2	57%	0.565	24%	0.238	S	C	*	.	H	α-helix	trans	-50.4	-44.2	176.1	-65.4	-63.2	0	0	0	112.4	E446 A454 S455 N456	E446-H452 IonicContact OE1-CE1 3.74Å; E446-H452 IonicContact OE1-CG 3.71Å; E446-H452 IonicContact OE1-ND1 2.79Å; E446-H452 PolarHBondContact OE1-ND1 3.4Å; E446-H452 IonicContact OE2-CE1 3.34Å; E446-H452 PolarHBondContact OE2-CE1 3.38Å; E446-H452 IonicContact OE2-ND1 3.2Å; E446-H452 PolarHBondContact OE2-ND1 3.47Å; H452-A454 PolarHBondContact O-N 3.46Å; H452-S455 PolarHBondContact O-N 3.17Å; H452-N456 WeakPolarHBondContact O-CB 3.48Å; H452-N456 PolarHBondContact O-N 3.32Å; H452-N456 PolarHBondContact O-ND2 3.36Å
453	S	92	Very high	94.4	Very high	96 Å²	96	38.1 Å²	38.1	67%	0.671	24%	0.238	S	C	*	.	H	α-helix	trans	-63.1	-39.1	178.4	-43.4	0	0	0	0	112.8	S451 L457	S451-S453 PolarHBondContact O-N 3.41Å; S453-L457 PolarHBondContact O-N 3.44Å; S453-L457 VanDerWaalsContact O-N 3.14Å
454	A	94.9	Very high	94.5	Very high	23 Å²	23	41 Å²	41	19%	0.19	25%	0.25	C	C	.	.	H	α-helix	trans	-70.2	-43.7	177.1	0	0	0	0	0	111.2	S451 H452 N456 L457 L458 Y508	S451-A454 PolarHBondContact O-N 2.77Å; S451-A454 WeakPolarHBondContact OG-CB 3.22Å; S451-A454 PolarHBondContact OG-N 3.44Å; H452-A454 PolarHBondContact O-N 3.46Å; A454-N456 VanDerWaalsContact C-N 3.32Å; A454-N456 PolarHBondContact O-N 3.29Å; A454-L457 WeakPolarHBondContact O-CB 3.33Å; A454-L457 PolarHBondContact O-N 2.78Å; A454-L457 VanDerWaalsContact O-N 3.15Å; A454-L458 PolarHBondContact O-N 3.19Å; A454-Y508 HydrophobicContact CB-CD2 4.35Å; A454-Y508 HydrophobicContact CB-CE2 3.84Å; A454-Y508 WeakPolarHBondContact O-CE2 3.37Å; A454-Y508 PolarHBondContact O-OH 3.38Å
455	S	94.7	Very high	94.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.5	-41	176.3	-60.8	0	0	0	0	112.1	A445 E446 S451 H452 L457 L458	A445-S455 WeakPolarHBondContact CB-OG 3.2Å; E446-S455 VanDerWaalsContact CG-OG 3.27Å; E446-S455 WeakPolarHBondContact CG-OG 3.12Å; E446-S455 PolarHBondContact N-OG 3.3Å; S451-S455 PolarHBondContact O-N 3.27Å; S451-S455 PolarHBondContact O-OG 3.2Å; H452-S455 PolarHBondContact O-N 3.17Å; S455-L457 VanDerWaalsContact C-N 3.32Å; S455-L457 PolarHBondContact O-N 3.38Å; S455-L458 WeakPolarHBondContact O-CB 3.37Å; S455-L458 PolarHBondContact O-N 2.96Å
456	N	92.5	Very high	94.3	Very high	16 Å²	16	40.5 Å²	40.5	9%	0.086	25%	0.25	C	C	.	.	H	α-helix	trans	-67.9	-30.7	176.1	-68	-20.2	0	0	0	112.9	I84 A160 H452 A454 L458 L459 S460	I84-N456 HydrophobicContact CD1-CB 4.23Å; I84-N456 WeakPolarHBondContact CG1-OD1 3.3Å; A160-N456 WeakPolarHBondContact CB-ND2 3.27Å; H452-N456 WeakPolarHBondContact O-CB 3.48Å; H452-N456 PolarHBondContact O-N 3.32Å; H452-N456 PolarHBondContact O-ND2 3.36Å; A454-N456 VanDerWaalsContact C-N 3.32Å; A454-N456 PolarHBondContact O-N 3.29Å; N456-L458 PolarHBondContact O-N 3.05Å; N456-L459 WeakPolarHBondContact O-CB 3.34Å; N456-L459 PolarHBondContact O-N 3.18Å; N456-L459 VanDerWaalsContact O-N 3.16Å; N456-S460 PolarHBondContact O-N 3.39Å
457	L	95.2	Very high	94.2	Very high	86 Å²	86	39.5 Å²	39.5	45%	0.45	25%	0.246	S	C	.	.	H	α-helix	trans	-64.2	-28	174.5	-175.9	61.1	0	0	0	112.2	S453 A454 S455 L459 S460 L461 Y508	S453-L457 PolarHBondContact O-N 3.44Å; S453-L457 VanDerWaalsContact O-N 3.14Å; A454-L457 WeakPolarHBondContact O-CB 3.33Å; A454-L457 PolarHBondContact O-N 2.78Å; A454-L457 VanDerWaalsContact O-N 3.15Å; S455-L457 VanDerWaalsContact C-N 3.32Å; S455-L457 PolarHBondContact O-N 3.38Å; L457-L459 VanDerWaalsContact C-N 3.3Å; L457-L459 PolarHBondContact O-N 3.48Å; L457-S460 PolarHBondContact O-N 3.14Å; L457-L461 WeakPolarHBondContact O-CG 3.4Å; L457-L461 PolarHBondContact O-N 2.92Å; L457-Y508 WeakPolarHBondContact CD2-OH 3.41Å
458	L	96.5	Very high	94.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-37.4	174	-63.1	173	0	0	0	111.9	T441 A445 A454 S455 N456 L461 L462 Y508 M511 A512 A515	T441-L458 HydrophobicContact CG2-CB 3.92Å; T441-L458 HydrophobicContact CG2-CD1 3.91Å; A445-L458 HydrophobicContact CB-CD1 3.69Å; A454-L458 PolarHBondContact O-N 3.19Å; S455-L458 WeakPolarHBondContact O-CB 3.37Å; S455-L458 PolarHBondContact O-N 2.96Å; N456-L458 PolarHBondContact O-N 3.05Å; L458-L461 HydrophobicContact CD2-CD1 4.45Å; L458-L461 PolarHBondContact O-N 3.32Å; L458-L462 WeakPolarHBondContact O-CG 3.48Å; L458-L462 PolarHBondContact O-N 3.23Å; L458-Y508 HydrophobicContact CD1-CE2 4.28Å; L458-Y508 HydrophobicContact CD2-CD2 4.46Å; L458-Y508 HydrophobicContact CD2-CE2 3.84Å; L458-Y508 HydrophobicContact CG-CE2 3.91Å; L458-M511 HydrophobicContact CD1-CB 3.99Å; L458-M511 HydrophobicContact CD1-SD 4.08Å; L458-M511 HydrophobicContact CD2-CB 3.95Å; L458-A512 HydrophobicContact CD2-CB 4.08Å; L458-A515 HydrophobicContact CD2-CB 4.35Å
459	L	94	Very high	94.1	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-65.6	-42.8	174.6	-69.3	154.4	0	0	0	111.2	I84 P156 F438 A442 N456 L457 L461 L462 G463	I84-L459 HydrophobicContact CD1-CD1 4.07Å; I84-L459 HydrophobicContact CG1-CD1 3.66Å; P156-L459 HydrophobicContact CB-CB 3.9Å; P156-L459 HydrophobicContact CG-CB 3.84Å; F438-L459 WeakPolarHBondContact O-CD2 3.09Å; A442-L459 HydrophobicContact CB-CD1 3.72Å; A442-L459 HydrophobicContact CB-CG 4.37Å; N456-L459 WeakPolarHBondContact O-CB 3.34Å; N456-L459 PolarHBondContact O-N 3.18Å; N456-L459 VanDerWaalsContact O-N 3.16Å; L457-L459 VanDerWaalsContact C-N 3.3Å; L457-L459 PolarHBondContact O-N 3.48Å; L459-L461 PolarHBondContact O-N 3.46Å; L459-L462 WeakPolarHBondContact O-CB 3.37Å; L459-L462 PolarHBondContact O-N 2.94Å; L459-G463 PolarHBondContact O-N 3.05Å
460	S	94.9	Very high	93.9	Very high	9 Å²	9	34.9 Å²	34.9	6%	0.063	20%	0.198	C	C	.	.	H	α-helix	trans	-63.7	-39.9	174	-65.4	0	0	0	0	112.2	V153 P157 N456 L457 G463 I464	V153-S460 PolarHBondContact O-OG 2.92Å; P157-S460 WeakPolarHBondContact CD-OG 3.13Å; N456-S460 PolarHBondContact O-N 3.39Å; L457-S460 PolarHBondContact O-N 3.14Å; S460-G463 WeakPolarHBondContact O-CA 3.35Å; S460-G463 PolarHBondContact O-N 3.16Å; S460-G463 VanDerWaalsContact O-N 3.15Å; S460-I464 VanDerWaalsContact O-CG1 3.31Å; S460-I464 WeakPolarHBondContact O-CG1 3.39Å; S460-I464 PolarHBondContact O-N 3.45Å
461	L	96.6	Very high	93.7	Very high	40 Å²	40	37.3 Å²	37.3	21%	0.209	21%	0.213	C	C	.	.	H	α-helix	trans	-62.7	-43.2	175.3	-74.2	172.9	0	0	0	112	L457 L458 L459 G463 I464 A465 A512 A515 V516	L457-L461 WeakPolarHBondContact O-CG 3.4Å; L457-L461 PolarHBondContact O-N 2.92Å; L458-L461 HydrophobicContact CD2-CD1 4.45Å; L458-L461 PolarHBondContact O-N 3.32Å; L459-L461 PolarHBondContact O-N 3.46Å; L461-G463 VanDerWaalsContact C-N 3.27Å; L461-G463 PolarHBondContact O-N 2.99Å; L461-I464 PolarHBondContact O-N 3.44Å; L461-A465 WeakPolarHBondContact O-CB 3.5Å; L461-A465 PolarHBondContact O-N 3.14Å; L461-A512 HydrophobicContact CD1-CB 3.84Å; L461-A515 HydrophobicContact CB-CB 4.01Å; L461-V516 HydrophobicContact CB-CG2 4.39Å; L461-V516 HydrophobicContact CD2-CG2 4.24Å
462	L	94.7	Very high	93.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-54.1	-46.4	170.7	-80.2	163.5	0	0	0	110.6	F438 L458 L459 N466 A515 F518	F438-L462 HydrophobicContact CD1-CD1 4.45Å; F438-L462 HydrophobicContact CE1-CB 4.11Å; L458-L462 WeakPolarHBondContact O-CG 3.48Å; L458-L462 PolarHBondContact O-N 3.23Å; L459-L462 WeakPolarHBondContact O-CB 3.37Å; L459-L462 PolarHBondContact O-N 2.94Å; L462-N466 WeakPolarHBondContact O-CB 3.33Å; L462-N466 PolarHBondContact O-N 3.46Å; L462-A515 HydrophobicContact CD2-CB 4.37Å; L462-A515 WeakPolarHBondContact CD2-O 3.41Å; L462-A515 HydrophobicContact CG-CB 3.92Å; L462-F518 HydrophobicContact CD2-CB 4.18Å; L462-F518 HydrophobicContact CD2-CD1 3.46Å; L462-F518 VanDerWaalsContact CD2-CD1 3.46Å; L462-F518 HydrophobicContact CD2-CE1 4.31Å; L462-F518 HydrophobicContact CD2-CG 4.24Å
463	G	93.2	Very high	93.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.5	-46	177.9	0	0	0	0	0	114.4	L459 S460 L461 A465 N466 T467	L459-G463 PolarHBondContact O-N 3.05Å; S460-G463 WeakPolarHBondContact O-CA 3.35Å; S460-G463 PolarHBondContact O-N 3.16Å; S460-G463 VanDerWaalsContact O-N 3.15Å; L461-G463 VanDerWaalsContact C-N 3.27Å; L461-G463 PolarHBondContact O-N 2.99Å; G463-A465 PolarHBondContact O-N 2.87Å; G463-N466 PolarHBondContact O-N 3.5Å; G463-T467 PolarHBondContact O-N 3.13Å; G463-T467 PolarHBondContact O-OG1 3.17Å
464	I	94.5	Very high	93.5	Very high	75 Å²	75	28.8 Å²	28.8	39%	0.385	16%	0.161	S	C	.	.	H	α-helix	trans	-60.9	-51	-179.9	-68.4	166	0	0	0	108.8	V153 S460 L461 N466 T467 I468	V153-I464 HydrophobicContact CB-CG1 4.21Å; V153-I464 HydrophobicContact CG1-CD1 4.14Å; V153-I464 HydrophobicContact CG1-CG1 3.7Å; V153-I464 HydrophobicContact CG2-CB 4.15Å; V153-I464 HydrophobicContact CG2-CG1 3.41Å; V153-I464 VanDerWaalsContact CG2-CG1 3.41Å; V153-I464 VanDerWaalsContact CG2-N 3.35Å; S460-I464 VanDerWaalsContact O-CG1 3.31Å; S460-I464 WeakPolarHBondContact O-CG1 3.39Å; S460-I464 PolarHBondContact O-N 3.45Å; L461-I464 PolarHBondContact O-N 3.44Å; I464-N466 PolarHBondContact O-N 2.96Å; I464-T467 WeakPolarHBondContact O-CB 3.32Å; I464-T467 PolarHBondContact O-N 3.09Å; I464-I468 HydrophobicContact CG2-CD1 4.15Å; I464-I468 WeakPolarHBondContact O-CG1 3.41Å; I464-I468 PolarHBondContact O-N 3.44Å
465	A	95.9	Very high	93.2	Very high	6 Å²	6	34.2 Å²	34.2	5%	0.05	18%	0.177	C	C	.	.	H	α-helix	trans	-66	-39	-178.2	0	0	0	0	0	112.3	L461 G463 T467 I468 G469 V516 F520	L461-A465 WeakPolarHBondContact O-CB 3.5Å; L461-A465 PolarHBondContact O-N 3.14Å; G463-A465 PolarHBondContact O-N 2.87Å; A465-T467 VanDerWaalsContact C-N 3.34Å; A465-T467 PolarHBondContact O-N 2.97Å; A465-I468 PolarHBondContact O-N 3.48Å; A465-G469 PolarHBondContact O-N 3.43Å; A465-V516 HydrophobicContact CB-CB 4.38Å; A465-V516 HydrophobicContact CB-CG1 4.14Å; A465-V516 WeakPolarHBondContact CB-O 3.44Å; A465-F520 HydrophobicContact CB-CB 4.22Å; A465-F520 WeakPolarHBondContact O-CA 3.32Å
466	N	92.7	Very high	93	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-38.6	173.8	174.8	52.7	0	0	0	112.4	L462 G463 I464 G469 R470 G519	L462-N466 WeakPolarHBondContact O-CB 3.33Å; L462-N466 PolarHBondContact O-N 3.46Å; G463-N466 PolarHBondContact O-N 3.5Å; I464-N466 PolarHBondContact O-N 2.96Å; N466-G469 PolarHBondContact O-N 3.35Å; N466-R470 WeakPolarHBondContact O-CB 3.41Å; N466-R470 VanDerWaalsContact O-CG 3.27Å; N466-R470 WeakPolarHBondContact O-CG 3.27Å; N466-R470 PolarHBondContact O-N 3.49Å; N466-R470 PolarHBondContact OD1-NE 3Å; N466-G519 WeakPolarHBondContact CA-O 3.22Å; N466-G519 WeakPolarHBondContact CB-O 3.23Å; N466-G519 PolarHBondContact N-O 3.12Å
467	T	90.4	Very high	92.9	Very high	23 Å²	23	35.4 Å²	35.4	14%	0.141	18%	0.183	C	C	.	.	H	α-helix	trans	-59.2	-50.9	174.6	-47.8	0	0	0	0	111.1	A146 G149 G463 I464 A465 R470 V471	A146-T467 HydrophobicContact CB-CG2 4.42Å; G149-T467 WeakPolarHBondContact CA-OG1 3.48Å; G149-T467 PolarHBondContact O-OG1 2.61Å; G463-T467 PolarHBondContact O-N 3.13Å; G463-T467 PolarHBondContact O-OG1 3.17Å; I464-T467 WeakPolarHBondContact O-CB 3.32Å; I464-T467 PolarHBondContact O-N 3.09Å; A465-T467 VanDerWaalsContact C-N 3.34Å; A465-T467 PolarHBondContact O-N 2.97Å; T467-R470 PolarHBondContact O-N 3.44Å; T467-V471 PolarHBondContact O-N 2.88Å
468	I	93.4	Very high	92.5	Very high	100 Å²	100	33.9 Å²	33.9	51%	0.513	18%	0.176	S	C	.	.	H	α-helix	trans	-63.8	-44.3	179.7	-62	169.7	0	0	0	110.2	I464 A465 R470 V471 F472 F520	I464-I468 HydrophobicContact CG2-CD1 4.15Å; I464-I468 WeakPolarHBondContact O-CG1 3.41Å; I464-I468 PolarHBondContact O-N 3.44Å; A465-I468 PolarHBondContact O-N 3.48Å; I468-R470 VanDerWaalsContact C-N 3.32Å; I468-R470 PolarHBondContact O-N 3.47Å; I468-V471 PolarHBondContact O-N 3.3Å; I468-F472 WeakPolarHBondContact O-CB 3.23Å; I468-F472 PolarHBondContact O-N 3.33Å; I468-F520 HydrophobicContact CG2-CD2 4.23Å; I468-F520 HydrophobicContact CG2-CE2 4.08Å
469	G	93.7	Very high	92.1	Very high	1 Å²	1	37 Å²	37	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-59.7	-38.3	178	0	0	0	0	0	112.8	A465 N466 F472 A473 F520	A465-G469 PolarHBondContact O-N 3.43Å; N466-G469 PolarHBondContact O-N 3.35Å; G469-F472 PolarHBondContact O-N 3.19Å; G469-A473 WeakPolarHBondContact O-CB 3.16Å; G469-A473 PolarHBondContact O-N 3.36Å; G469-F520 VanDerWaalsContact CA-CD2 3.5Å; G469-F520 WeakPolarHBondContact CA-O 3.37Å
470	R	90.3	Very high	91.6	Very high	19 Å²	19	48.2 Å²	48.2	7%	0.072	23%	0.231	C	C	.	.	H	α-helix	trans	-65.7	-47.3	178.9	-77.9	179.9	178.4	-141.8	1.4	111.7	S148 N466 T467 I468 F472 A473 G474 A523	S148-R470 PolarHBondContact OG-NH1 3.37Å; S148-R470 PolarHBondContact OG-NH2 2.94Å; N466-R470 WeakPolarHBondContact O-CB 3.41Å; N466-R470 VanDerWaalsContact O-CG 3.27Å; N466-R470 WeakPolarHBondContact O-CG 3.27Å; N466-R470 PolarHBondContact O-N 3.49Å; N466-R470 PolarHBondContact OD1-NE 3Å; T467-R470 PolarHBondContact O-N 3.44Å; I468-R470 VanDerWaalsContact C-N 3.32Å; I468-R470 PolarHBondContact O-N 3.47Å; R470-F472 VanDerWaalsContact C-N 3.35Å; R470-A473 PolarHBondContact O-N 3.17Å; R470-G474 PolarHBondContact O-N 3.42Å; R470-A523 HydrophobicContact CB-CB 4.4Å; R470-A523 HydrophobicContact CG-CB 3.73Å; R470-A523 VanDerWaalsContact N-CB 3.33Å
471	V	90.2	Very high	91.4	Very high	91 Å²	91	57.9 Å²	57.9	55%	0.552	27%	0.266	S	S	*	.	H	α-helix	trans	-62.7	-45.4	177.3	178.4	0	0	0	0	110.1	T467 I468 W475	T467-V471 PolarHBondContact O-N 2.88Å; I468-V471 PolarHBondContact O-N 3.3Å; V471-W475 WeakPolarHBondContact O-CB 3.3Å; V471-W475 PolarHBondContact O-N 3.5Å
472	F	92.4	Very high	91.2	Very high	84 Å²	84	57.4 Å²	57.4	37%	0.368	27%	0.265	S	S	.	.	H	α-helix	trans	-63	-46.9	178.3	179	-100.8	0	0	0	112.5	I468 G469 R470 G474 W475 L476 F520	I468-F472 WeakPolarHBondContact O-CB 3.23Å; I468-F472 PolarHBondContact O-N 3.33Å; G469-F472 PolarHBondContact O-N 3.19Å; R470-F472 VanDerWaalsContact C-N 3.35Å; F472-G474 PolarHBondContact O-N 3.08Å; F472-W475 HydrophobicContact CD2-CE3 4.13Å; F472-W475 HydrophobicContact CD2-CZ3 4.32Å; F472-W475 HydrophobicContact CE2-CE3 4.11Å; F472-W475 AromaticContact CE2-CZ3 3.86Å; F472-W475 HydrophobicContact CE2-CZ3 3.86Å; F472-W475 PolarHBondContact O-N 3.04Å; F472-L476 HydrophobicContact CE1-CD2 3.72Å; F472-L476 HydrophobicContact CZ-CD2 3.99Å; F472-L476 WeakPolarHBondContact O-CB 3.06Å; F472-L476 PolarHBondContact O-N 3.39Å; F472-F520 HydrophobicContact CB-CE2 4.09Å; F472-F520 HydrophobicContact CB-CZ 4.16Å; F472-F520 HydrophobicContact CD1-CE1 4.08Å; F472-F520 HydrophobicContact CD1-CE2 4.18Å; F472-F520 AromaticContact CD1-CZ 3.39Å; F472-F520 HydrophobicContact CD1-CZ 3.39Å; F472-F520 HydrophobicContact CE1-CE1 4.32Å; F472-F520 AromaticContact CE1-CZ 3.86Å; F472-F520 HydrophobicContact CE1-CZ 3.86Å; F472-F520 HydrophobicContact CG-CE2 4.2Å; F472-F520 AromaticContact CG-CZ 3.79Å; F472-F520 HydrophobicContact CG-CZ 3.79Å
473	A	92.5	Very high	91.1	Very high	5 Å²	5	64.3 Å²	64.3	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-63.2	-42.3	179.5	0	0	0	0	0	111.8	G469 R470 L476 S477 A524	G469-A473 WeakPolarHBondContact O-CB 3.16Å; G469-A473 PolarHBondContact O-N 3.36Å; R470-A473 PolarHBondContact O-N 3.17Å; A473-L476 PolarHBondContact O-N 2.79Å; A473-S477 WeakPolarHBondContact O-CB 3.42Å; A473-S477 PolarHBondContact O-N 2.92Å; A473-S477 PolarHBondContact O-OG 3.48Å; A473-A524 HydrophobicContact CB-CB 3.77Å
474	G	89.2	Confident	91.2	Very high	22 Å²	22	64.4 Å²	64.4	23%	0.227	30%	0.296	C	S	.	.	H	α-helix	trans	-58.8	-54.1	173.9	0	0	0	0	0	111.5	R470 F472 L476 S477 D478	R470-G474 PolarHBondContact O-N 3.42Å; F472-G474 PolarHBondContact O-N 3.08Å; G474-L476 VanDerWaalsContact C-N 3.31Å; G474-L476 PolarHBondContact O-N 3.39Å; G474-S477 PolarHBondContact O-N 2.93Å; G474-S477 PolarHBondContact O-OG 3.01Å; G474-D478 PolarHBondContact O-N 2.85Å; G474-D478 VanDerWaalsContact O-N 3.17Å
475	W	89.3	Confident	91.2	Very high	138 Å²	138	61 Å²	61	52%	0.523	28%	0.278	S	S	.	.	H	α-helix	trans	-59.4	-38.8	177.3	171.2	81.4	0	0	0	113.6	V471 F472 D478	V471-W475 WeakPolarHBondContact O-CB 3.3Å; V471-W475 PolarHBondContact O-N 3.5Å; F472-W475 HydrophobicContact CD2-CE3 4.13Å; F472-W475 HydrophobicContact CD2-CZ3 4.32Å; F472-W475 HydrophobicContact CE2-CE3 4.11Å; F472-W475 AromaticContact CE2-CZ3 3.86Å; F472-W475 HydrophobicContact CE2-CZ3 3.86Å; F472-W475 PolarHBondContact O-N 3.04Å; W475-D478 PolarHBondContact O-N 3.39Å
476	L	91.5	Very high	91.2	Very high	36 Å²	36	64.5 Å²	64.5	19%	0.188	29%	0.29	C	S	.	.	H	α-helix	trans	-71.1	-37.9	179.7	-176.2	61.1	0	0	0	111.3	F472 A473 G474 D478 K479 V482 L487	F472-L476 HydrophobicContact CE1-CD2 3.72Å; F472-L476 HydrophobicContact CZ-CD2 3.99Å; F472-L476 WeakPolarHBondContact O-CB 3.06Å; F472-L476 PolarHBondContact O-N 3.39Å; A473-L476 PolarHBondContact O-N 2.79Å; G474-L476 VanDerWaalsContact C-N 3.31Å; G474-L476 PolarHBondContact O-N 3.39Å; L476-D478 PolarHBondContact O-N 3.07Å; L476-K479 WeakPolarHBondContact O-CB 3.23Å; L476-K479 WeakPolarHBondContact O-CG 3.06Å; L476-K479 PolarHBondContact O-N 3.29Å; L476-V482 HydrophobicContact CD1-CG2 3.99Å; L476-V482 HydrophobicContact CG-CG1 4.43Å; L476-V482 HydrophobicContact CG-CG2 4.22Å; L476-V482 WeakPolarHBondContact O-CB 3.22Å; L476-V482 WeakPolarHBondContact O-CG2 3.22Å; L476-L487 HydrophobicContact CB-CD2 4.24Å; L476-L487 HydrophobicContact CD2-CD1 3.88Å; L476-L487 HydrophobicContact CD2-CD2 3.9Å; L476-L487 HydrophobicContact CG-CD2 4.05Å
477	S	90.4	Very high	91.4	Very high	5 Å²	5	66.3 Å²	66.3	4%	0.035	30%	0.3	C	S	.	.	H	α-helix	trans	-66.4	-25.4	176.1	71.3	0	0	0	0	113	A473 G474 K479 L528	A473-S477 WeakPolarHBondContact O-CB 3.42Å; A473-S477 PolarHBondContact O-N 2.92Å; A473-S477 PolarHBondContact O-OG 3.48Å; G474-S477 PolarHBondContact O-N 2.93Å; G474-S477 PolarHBondContact O-OG 3.01Å; S477-K479 PolarHBondContact O-N 3.34Å; S477-L528 VanDerWaalsContact CB-CD2 3.47Å; S477-L528 VanDerWaalsContact OG-CD2 3.28Å; S477-L528 WeakPolarHBondContact OG-CD2 3.47Å
478	D	86.9	Confident	91.7	Very high	54 Å²	54	65.4 Å²	65.4	29%	0.289	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-8.3	176	-72.5	-28.6	0	0	0	113.7	Q347 G474 W475 L476	Q347-D478 VanDerWaalsContact NE2-CB 3.25Å; Q347-D478 VanDerWaalsContact NE2-CG 3.28Å; Q347-D478 PolarHBondContact NE2-O 3.01Å; Q347-D478 PolarHBondContact NE2-OD1 3.15Å; G474-D478 PolarHBondContact O-N 2.85Å; G474-D478 VanDerWaalsContact O-N 3.17Å; W475-D478 PolarHBondContact O-N 3.39Å; L476-D478 PolarHBondContact O-N 3.07Å
479	K	87.9	Confident	91.9	Very high	66 Å²	66	60.8 Å²	60.8	29%	0.287	27%	0.271	S	S	.	.	S	Bend	trans	-80.1	124.2	176.7	-58.3	-57.3	179.1	-171.5	0	109.9	L476 S477 W481 V482	L476-K479 WeakPolarHBondContact O-CB 3.23Å; L476-K479 WeakPolarHBondContact O-CG 3.06Å; L476-K479 PolarHBondContact O-N 3.29Å; S477-K479 PolarHBondContact O-N 3.34Å; K479-W481 HydrophobicContact CB-CD2 4.31Å; K479-W481 HydrophobicContact CB-CZ2 4.22Å; K479-W481 HydrophobicContact CD-CZ2 4.35Å; K479-W481 HydrophobicContact CG-CZ2 4.2Å; K479-W481 PolarHBondContact O-N 3.5Å; K479-V482 HydrophobicContact CB-CB 4.43Å; K479-V482 HydrophobicContact CB-CG2 3.97Å; K479-V482 PolarHBondContact O-N 3.23Å
480	R	83.9	Confident	92.1	Very high	237 Å²	237	68.3 Å²	68.3	89%	0.894	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-24.1	-179	-67.3	-177.9	174.5	174.2	-3.2	115.6
481	W	89.4	Confident	92.4	Very high	212 Å²	212	67.8 Å²	67.8	80%	0.803	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-10	177.7	60.9	66.7	0	0	0	113.6	K479	K479-W481 HydrophobicContact CB-CD2 4.31Å; K479-W481 HydrophobicContact CB-CZ2 4.22Å; K479-W481 HydrophobicContact CD-CZ2 4.35Å; K479-W481 HydrophobicContact CG-CZ2 4.2Å; K479-W481 PolarHBondContact O-N 3.5Å
482	V	92.4	Very high	92.8	Very high	31 Å²	31	63.5 Å²	63.5	19%	0.188	27%	0.272	C	S	.	.			trans	-99.6	127.4	178.7	-178.1	0	0	0	0	108.6	L476 K479 L487	L476-V482 HydrophobicContact CD1-CG2 3.99Å; L476-V482 HydrophobicContact CG-CG1 4.43Å; L476-V482 HydrophobicContact CG-CG2 4.22Å; L476-V482 WeakPolarHBondContact O-CB 3.22Å; L476-V482 WeakPolarHBondContact O-CG2 3.22Å; K479-V482 HydrophobicContact CB-CB 4.43Å; K479-V482 HydrophobicContact CB-CG2 3.97Å; K479-V482 PolarHBondContact O-N 3.23Å; V482-L487 HydrophobicContact CG1-CB 4.12Å; V482-L487 HydrophobicContact CG1-CD2 4.01Å
483	K	93.5	Very high	93.1	Very high	145 Å²	145	60.9 Å²	60.9	63%	0.63	26%	0.262	S	S	*	.			trans	-96.5	121.5	170.9	-69.8	-174.3	177.3	-173.4	0	108.9	L485 W486 L487	K483-L485 PolarHBondContact O-N 3.44Å; K483-W486 HydrophobicContact CB-CB 4.48Å; K483-W486 PolarHBondContact O-N 3.14Å; K483-L487 PolarHBondContact O-N 3.49Å
484	A	94.5	Very high	93.4	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-53.8	-39.1	-178	0	0	0	0	0	112.5	W486 L487 S488 L528 I531 I532	A484-W486 PolarHBondContact O-N 3.33Å; A484-L487 PolarHBondContact O-N 3.44Å; A484-S488 WeakPolarHBondContact O-CB 3.46Å; A484-S488 PolarHBondContact O-N 2.76Å; A484-L528 HydrophobicContact CB-CB 4.41Å; A484-L528 HydrophobicContact CB-CD1 4.35Å; A484-I531 HydrophobicContact CB-CB 4.33Å; A484-I531 HydrophobicContact CB-CG2 3.75Å; A484-I532 HydrophobicContact CB-CG1 3.87Å
485	L	95.5	Very high	93.8	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-57.6	-49.2	176.7	179.1	66.5	0	0	0	112.4	L423 K483 S488 N489 I532 E536 V595 P596	L423-L485 HydrophobicContact CD2-CD1 4.2Å; K483-L485 PolarHBondContact O-N 3.44Å; L485-S488 PolarHBondContact O-N 3.27Å; L485-N489 WeakPolarHBondContact O-CB 3.43Å; L485-N489 PolarHBondContact O-N 2.98Å; L485-N489 PolarHBondContact O-ND2 3.33Å; L485-N489 VanDerWaalsContact O-ND2 3.12Å; L485-I532 HydrophobicContact CB-CG2 4.48Å; L485-I532 HydrophobicContact CD1-CG2 3.87Å; L485-E536 HydrophobicContact CD2-CG 4.26Å; L485-E536 WeakPolarHBondContact CD2-OE1 3.4Å; L485-V595 HydrophobicContact CD2-CB 4.06Å; L485-V595 HydrophobicContact CD2-CG1 3.87Å; L485-P596 HydrophobicContact CD2-CG 3.68Å
486	W	96	Very high	94.2	Very high	79 Å²	79	55 Å²	55	30%	0.299	24%	0.241	S	C	.	.	H	α-helix	trans	-69	-40.3	180	-73.4	101.4	0	0	0	111.7	K483 A484 S488 N489 W490 C593 P596 F597	K483-W486 HydrophobicContact CB-CB 4.48Å; K483-W486 PolarHBondContact O-N 3.14Å; A484-W486 PolarHBondContact O-N 3.33Å; W486-S488 VanDerWaalsContact C-N 3.33Å; W486-S488 PolarHBondContact O-N 2.99Å; W486-N489 PolarHBondContact O-N 3.44Å; W486-W490 AromaticContact CE3-NE1 4Å; W486-W490 WeakPolarHBondContact O-CB 3.44Å; W486-W490 PolarHBondContact O-N 3.13Å; W486-C593 HydrophobicContact CZ3-CB 4.32Å; W486-P596 HydrophobicContact CZ2-CB 4.36Å; W486-P596 HydrophobicContact CZ2-CG 3.83Å; W486-F597 HydrophobicContact CH2-CE2 4.44Å
487	L	96.4	Very high	94.6	Very high	39 Å²	39	56.8 Å²	56.8	20%	0.204	25%	0.253	C	S	.	.	H	α-helix	trans	-59.1	-45.9	175.9	179.3	57.1	0	0	0	111.2	L476 V482 K483 A484 S491 L528	L476-L487 HydrophobicContact CB-CD2 4.24Å; L476-L487 HydrophobicContact CD2-CD1 3.88Å; L476-L487 HydrophobicContact CD2-CD2 3.9Å; L476-L487 HydrophobicContact CG-CD2 4.05Å; V482-L487 HydrophobicContact CG1-CB 4.12Å; V482-L487 HydrophobicContact CG1-CD2 4.01Å; K483-L487 PolarHBondContact O-N 3.49Å; A484-L487 PolarHBondContact O-N 3.44Å; L487-S491 WeakPolarHBondContact O-CB 3.48Å; L487-S491 PolarHBondContact O-N 3.3Å; L487-L528 HydrophobicContact CB-CD1 4.15Å; L487-L528 HydrophobicContact CD2-CD1 3.68Å; L487-L528 HydrophobicContact CG-CD1 3.9Å
488	S	96.8	Very high	94.9	Very high	4 Å²	4	58.1 Å²	58.1	3%	0.028	26%	0.259	C	S	.	.	H	α-helix	trans	-63.9	-47.1	176.2	-178	0	0	0	0	112.2	A484 L485 W486 W490 S491 L492 I532	A484-S488 WeakPolarHBondContact O-CB 3.46Å; A484-S488 PolarHBondContact O-N 2.76Å; L485-S488 PolarHBondContact O-N 3.27Å; W486-S488 VanDerWaalsContact C-N 3.33Å; W486-S488 PolarHBondContact O-N 2.99Å; S488-W490 PolarHBondContact O-N 3.04Å; S488-S491 WeakPolarHBondContact O-CB 3.29Å; S488-S491 PolarHBondContact O-N 3.46Å; S488-S491 VanDerWaalsContact O-N 3.15Å; S488-S491 PolarHBondContact O-OG 2.53Å; S488-L492 PolarHBondContact O-N 3Å; S488-I532 VanDerWaalsContact CB-CD1 3.49Å
489	N	97.6	Very high	95.5	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-66.6	-40	-178.8	-64.2	-26.6	0	0	0	113	L485 W486 S491 L492 L493 G592 C593	L485-N489 WeakPolarHBondContact O-CB 3.43Å; L485-N489 PolarHBondContact O-N 2.98Å; L485-N489 PolarHBondContact O-ND2 3.33Å; L485-N489 VanDerWaalsContact O-ND2 3.12Å; W486-N489 PolarHBondContact O-N 3.44Å; N489-S491 VanDerWaalsContact C-N 3.28Å; N489-S491 PolarHBondContact O-N 3.31Å; N489-L492 PolarHBondContact O-N 3.16Å; N489-L493 WeakPolarHBondContact O-CG 3.26Å; N489-L493 PolarHBondContact O-N 3.02Å; N489-G592 PolarHBondContact ND2-O 3.35Å; N489-G592 VanDerWaalsContact ND2-O 3.08Å; N489-G592 WeakPolarHBondContact OD1-CA 3.19Å; N489-C593 VanDerWaalsContact CB-SG 3.57Å; N489-C593 PolarHBondContact ND2-N 2.95Å
490	W	97.3	Very high	96	Very high	159 Å²	159	53.2 Å²	53.2	60%	0.602	24%	0.239	S	C	*	.	H	α-helix	trans	-63.6	-36.9	173.2	-77.2	122	0	0	0	111.9	W486 S488 L493 A494	W486-W490 AromaticContact CE3-NE1 4Å; W486-W490 WeakPolarHBondContact O-CB 3.44Å; W486-W490 PolarHBondContact O-N 3.13Å; S488-W490 PolarHBondContact O-N 3.04Å; W490-L493 HydrophobicContact CE3-CD1 3.79Å; W490-L493 HydrophobicContact CZ3-CD1 3.86Å; W490-L493 PolarHBondContact O-N 3.1Å; W490-A494 WeakPolarHBondContact O-CB 3.45Å; W490-A494 PolarHBondContact O-N 3.48Å
491	S	97.8	Very high	96.6	Very high	8 Å²	8	46.4 Å²	46.4	6%	0.056	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-43.8	174.3	82.6	0	0	0	0	111.9	L487 S488 N489 A494 C495 I521	L487-S491 WeakPolarHBondContact O-CB 3.48Å; L487-S491 PolarHBondContact O-N 3.3Å; S488-S491 WeakPolarHBondContact O-CB 3.29Å; S488-S491 PolarHBondContact O-N 3.46Å; S488-S491 VanDerWaalsContact O-N 3.15Å; S488-S491 PolarHBondContact O-OG 2.53Å; N489-S491 VanDerWaalsContact C-N 3.28Å; N489-S491 PolarHBondContact O-N 3.31Å; S491-A494 PolarHBondContact O-N 3.09Å; S491-C495 VanDerWaalsContact O-CB 3.28Å; S491-C495 WeakPolarHBondContact O-CB 3.42Å; S491-C495 PolarHBondContact O-N 3.27Å; S491-C495 PolarHBondContact O-SG 2.85Å; S491-C495 VanDerWaalsContact O-SG 3.41Å; S491-I521 WeakPolarHBondContact CB-O 3.45Å; S491-I521 VanDerWaalsContact O-CG2 3.29Å; S491-I521 WeakPolarHBondContact O-CG2 3.44Å
492	L	98.3	Very high	97	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-61	-49.2	175.3	-74.9	166.9	0	0	0	111.5	S488 N489 A494 C495 G496 I522 F525 I585 S588	S488-L492 PolarHBondContact O-N 3Å; N489-L492 PolarHBondContact O-N 3.16Å; L492-A494 VanDerWaalsContact C-N 3.34Å; L492-A494 PolarHBondContact O-N 3.45Å; L492-C495 PolarHBondContact O-N 2.85Å; L492-G496 PolarHBondContact O-N 3.46Å; L492-I522 HydrophobicContact CD2-CD1 4.35Å; L492-F525 HydrophobicContact CD1-CD2 3.72Å; L492-F525 HydrophobicContact CD1-CE2 4.02Å; L492-F525 HydrophobicContact CD1-CG 4.44Å; L492-F525 HydrophobicContact CD2-CB 4.08Å; L492-F525 HydrophobicContact CD2-CD1 4.08Å; L492-F525 HydrophobicContact CD2-CD2 3.78Å; L492-F525 HydrophobicContact CD2-CE1 4.46Å; L492-F525 HydrophobicContact CD2-CE2 4.2Å; L492-F525 HydrophobicContact CD2-CG 3.71Å; L492-F525 HydrophobicContact CG-CB 4.31Å; L492-F525 HydrophobicContact CG-CD2 3.96Å; L492-F525 HydrophobicContact CG-CG 4.2Å; L492-I585 HydrophobicContact CB-CG2 4.38Å; L492-I585 HydrophobicContact CD2-CG2 3.95Å; L492-I585 WeakPolarHBondContact O-CG2 3.32Å; L492-S588 WeakPolarHBondContact CD1-OG 3.37Å
493	L	98.4	Very high	97.2	Very high	29 Å²	29	35.2 Å²	35.2	15%	0.152	18%	0.175	C	C	.	.	H	α-helix	trans	-58	-46.6	178.5	-67.7	173	0	0	0	112	N489 W490 G496 V497 I586 L590	N489-L493 WeakPolarHBondContact O-CG 3.26Å; N489-L493 PolarHBondContact O-N 3.02Å; W490-L493 HydrophobicContact CE3-CD1 3.79Å; W490-L493 HydrophobicContact CZ3-CD1 3.86Å; W490-L493 PolarHBondContact O-N 3.1Å; L493-G496 PolarHBondContact O-N 2.82Å; L493-V497 WeakPolarHBondContact O-CG2 3.43Å; L493-V497 PolarHBondContact O-N 3.13Å; L493-V497 VanDerWaalsContact O-N 3.09Å; L493-I586 HydrophobicContact CD2-CG2 4.03Å; L493-I586 WeakPolarHBondContact CD2-O 3.46Å; L493-L590 HydrophobicContact CD2-CD2 3.88Å; L493-L590 HydrophobicContact CD2-CG 3.84Å
494	A	98.3	Very high	97.3	Very high	42 Å²	42	34.4 Å²	34.4	35%	0.347	17%	0.172	S	C	.	.	H	α-helix	trans	-64.3	-43.2	177.6	0	0	0	0	0	112.1	W490 S491 L492 V497 L498 I521	W490-A494 WeakPolarHBondContact O-CB 3.45Å; W490-A494 PolarHBondContact O-N 3.48Å; S491-A494 PolarHBondContact O-N 3.09Å; L492-A494 VanDerWaalsContact C-N 3.34Å; L492-A494 PolarHBondContact O-N 3.45Å; A494-V497 PolarHBondContact O-N 3.48Å; A494-L498 WeakPolarHBondContact O-CG 3.39Å; A494-L498 PolarHBondContact O-N 2.93Å; A494-I521 HydrophobicContact CB-CD1 4.39Å; A494-I521 HydrophobicContact CB-CG2 4.07Å
495	C	98	Very high	97.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.9	-43.7	175.6	-81.8	0	0	0	0	112.6	S491 L492 V497 L498 T499 F518 I521 I522 I585	S491-C495 VanDerWaalsContact O-CB 3.28Å; S491-C495 WeakPolarHBondContact O-CB 3.42Å; S491-C495 PolarHBondContact O-N 3.27Å; S491-C495 PolarHBondContact O-SG 2.85Å; S491-C495 VanDerWaalsContact O-SG 3.41Å; L492-C495 PolarHBondContact O-N 2.85Å; C495-V497 VanDerWaalsContact C-N 3.32Å; C495-V497 PolarHBondContact O-N 3.27Å; C495-L498 WeakPolarHBondContact O-CB 2.99Å; C495-L498 PolarHBondContact O-N 3.48Å; C495-T499 WeakPolarHBondContact O-CB 3.38Å; C495-T499 PolarHBondContact O-N 3.41Å; C495-T499 PolarHBondContact O-OG1 3.45Å; C495-F518 HydrophobicContact CB-CD2 4.2Å; C495-F518 HydrophobicContact CB-CE2 4.02Å; C495-I521 WeakPolarHBondContact SG-CG2 3.38Å; C495-I522 HydrophobicContact CB-CD1 3.77Å; C495-I522 VanDerWaalsContact SG-CA 3.51Å; C495-I522 VanDerWaalsContact SG-CB 3.56Å; C495-I522 PolarHBondContact SG-N 3.3Å; C495-I585 HydrophobicContact CB-CG2 4.21Å
496	G	98.5	Very high	97.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.3	-37	179.9	0	0	0	0	0	112.2	L492 L493 A500 G582	L492-G496 PolarHBondContact O-N 3.46Å; L493-G496 PolarHBondContact O-N 2.82Å; G496-A500 WeakPolarHBondContact O-CB 3.42Å; G496-A500 PolarHBondContact O-N 3.34Å; G496-G582 WeakPolarHBondContact CA-O 3.41Å; G496-G582 WeakPolarHBondContact O-CA 3.34Å
497	V	98.5	Very high	97.3	Very high	72 Å²	72	42 Å²	42	44%	0.436	22%	0.218	S	C	.	.	H	α-helix	trans	-64	-47.7	170.4	172.5	0	0	0	0	111.1	L493 A494 C495 T499 A500 L501 I586	L493-V497 WeakPolarHBondContact O-CG2 3.43Å; L493-V497 PolarHBondContact O-N 3.13Å; L493-V497 VanDerWaalsContact O-N 3.09Å; A494-V497 PolarHBondContact O-N 3.48Å; C495-V497 VanDerWaalsContact C-N 3.32Å; C495-V497 PolarHBondContact O-N 3.27Å; V497-T499 VanDerWaalsContact C-N 3.33Å; V497-T499 PolarHBondContact O-N 3.49Å; V497-A500 PolarHBondContact O-N 3.19Å; V497-L501 HydrophobicContact CG1-CD1 3.79Å; V497-L501 HydrophobicContact CG1-CG 4.34Å; V497-L501 WeakPolarHBondContact O-CB 3.44Å; V497-L501 VanDerWaalsContact O-CG 3.29Å; V497-L501 WeakPolarHBondContact O-CG 3.39Å; V497-L501 PolarHBondContact O-N 3.46Å; V497-I586 HydrophobicContact CG2-CD1 4Å; V497-I586 HydrophobicContact CG2-CG1 4.44Å
498	L	98.2	Very high	97.4	Very high	33 Å²	33	43 Å²	43	17%	0.173	22%	0.219	C	C	.	.	H	α-helix	trans	-57.2	-47	176.6	-75.5	171.1	0	0	0	111.4	A494 C495 A500 L501 F502 Y514 L517 I521	A494-L498 WeakPolarHBondContact O-CG 3.39Å; A494-L498 PolarHBondContact O-N 2.93Å; C495-L498 WeakPolarHBondContact O-CB 2.99Å; C495-L498 PolarHBondContact O-N 3.48Å; L498-A500 PolarHBondContact O-N 2.9Å; L498-L501 CarbonylContact O-C 3.59Å; L498-L501 PolarHBondContact O-N 3.26Å; L498-L501 VanDerWaalsContact O-N 3.13Å; L498-F502 PolarHBondContact O-N 2.83Å; L498-Y514 VanDerWaalsContact C-CE2 3.48Å; L498-Y514 HydrophobicContact CB-CD2 4.08Å; L498-Y514 HydrophobicContact CB-CE2 3.86Å; L498-Y514 VanDerWaalsContact O-CE2 3.26Å; L498-Y514 WeakPolarHBondContact O-CE2 3.29Å; L498-L517 HydrophobicContact CD1-CB 3.86Å; L498-L517 HydrophobicContact CD2-CB 4.5Å; L498-L517 HydrophobicContact CD2-CD1 4.29Å; L498-I521 HydrophobicContact CD1-CD1 3.75Å
499	T	98.1	Very high	97.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.5	-40.6	179.6	-61	0	0	0	0	111.6	P437 C495 V497 L501 F502 Y514 F518 F578 A581 I585	P437-T499 HydrophobicContact CG-CG2 3.9Å; C495-T499 WeakPolarHBondContact O-CB 3.38Å; C495-T499 PolarHBondContact O-N 3.41Å; C495-T499 PolarHBondContact O-OG1 3.45Å; V497-T499 VanDerWaalsContact C-N 3.33Å; V497-T499 PolarHBondContact O-N 3.49Å; T499-L501 VanDerWaalsContact C-N 3.29Å; T499-L501 PolarHBondContact O-N 3.49Å; T499-F502 WeakPolarHBondContact O-CB 3.33Å; T499-F502 PolarHBondContact O-N 3.34Å; T499-Y514 PolarHBondContact OG1-OH 2.79Å; T499-F518 WeakPolarHBondContact OG1-CD2 3.5Å; T499-F518 WeakPolarHBondContact OG1-CE2 3.37Å; T499-F578 HydrophobicContact CG2-CD1 4Å; T499-A581 HydrophobicContact CG2-CB 3.91Å; T499-I585 HydrophobicContact CG2-CD1 4.43Å
500	A	97.9	Very high	97.4	Very high	18 Å²	18	50 Å²	50	15%	0.149	26%	0.262	C	S	.	.	H	α-helix	trans	-67	-29.5	174.3	0	0	0	0	0	112.7	G496 V497 L498 P503 I579	G496-A500 WeakPolarHBondContact O-CB 3.42Å; G496-A500 PolarHBondContact O-N 3.34Å; V497-A500 PolarHBondContact O-N 3.19Å; L498-A500 PolarHBondContact O-N 2.9Å; A500-P503 WeakPolarHBondContact O-CD 3.37Å; A500-I579 HydrophobicContact CB-CD1 4.17Å; A500-I579 WeakPolarHBondContact O-CD1 3.43Å
501	L	97.6	Very high	97.4	Very high	93 Å²	93	42.4 Å²	42.4	49%	0.487	23%	0.233	S	C	.	.	H	α-helix	trans	-83.5	-14.8	177.5	-69.8	175.3	0	0	0	113.7	V497 L498 T499 P503 F504	V497-L501 HydrophobicContact CG1-CD1 3.79Å; V497-L501 HydrophobicContact CG1-CG 4.34Å; V497-L501 WeakPolarHBondContact O-CB 3.44Å; V497-L501 VanDerWaalsContact O-CG 3.29Å; V497-L501 WeakPolarHBondContact O-CG 3.39Å; V497-L501 PolarHBondContact O-N 3.46Å; L498-L501 CarbonylContact O-C 3.59Å; L498-L501 PolarHBondContact O-N 3.26Å; L498-L501 VanDerWaalsContact O-N 3.13Å; T499-L501 VanDerWaalsContact C-N 3.29Å; T499-L501 PolarHBondContact O-N 3.49Å; L501-P503 VanDerWaalsContact C-CD 3.46Å; L501-F504 HydrophobicContact CD2-CD2 4.29Å; L501-F504 WeakPolarHBondContact O-CB 3.42Å; L501-F504 WeakPolarHBondContact O-CD2 3.38Å; L501-F504 PolarHBondContact O-N 3.31Å
502	F	97.8	Very high	97.4	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-57.3	-38.6	-176.1	-176.1	-110.9	0	0	0	115.1	T441 Y444 L498 T499 F504 C505 M511 Y514 F578	T441-F502 HydrophobicContact CG2-CE1 4.4Å; T441-F502 HydrophobicContact CG2-CE2 4.36Å; T441-F502 HydrophobicContact CG2-CZ 3.74Å; Y444-F502 HydrophobicContact CD1-CD1 4.07Å; Y444-F502 AromaticContact CD1-CE1 3.28Å; Y444-F502 HydrophobicContact CD1-CE1 3.28Å; Y444-F502 AromaticContact CD1-CZ 3.65Å; Y444-F502 HydrophobicContact CD1-CZ 3.65Å; Y444-F502 HydrophobicContact CE1-CD1 4.41Å; Y444-F502 AromaticContact CE1-CE1 3.98Å; Y444-F502 HydrophobicContact CE1-CE1 3.98Å; Y444-F502 HydrophobicContact CE1-CZ 4.28Å; Y444-F502 AromaticContact CG-CE1 3.94Å; Y444-F502 HydrophobicContact CG-CE1 3.94Å; L498-F502 PolarHBondContact O-N 2.83Å; T499-F502 WeakPolarHBondContact O-CB 3.33Å; T499-F502 PolarHBondContact O-N 3.34Å; F502-F504 PolarHBondContact O-N 3.37Å; F502-C505 HydrophobicContact CD2-CB 4.22Å; F502-C505 HydrophobicContact CE2-CB 4.43Å; F502-C505 WeakPolarHBondContact O-CB 3.5Å; F502-C505 PolarHBondContact O-N 3.13Å; F502-M511 HydrophobicContact CE2-CB 4.1Å; F502-M511 HydrophobicContact CE2-CG 3.98Å; F502-M511 HydrophobicContact CZ-CG 4.28Å; F502-Y514 HydrophobicContact CB-CD2 4.2Å; F502-Y514 HydrophobicContact CB-CE1 4.3Å; F502-Y514 HydrophobicContact CB-CE2 3.86Å; F502-Y514 AromaticContact CD2-CD1 3.11Å; F502-Y514 HydrophobicContact CD2-CD1 3.11Å; F502-Y514 AromaticContact CD2-CD2 3.87Å; F502-Y514 HydrophobicContact CD2-CD2 3.87Å; F502-Y514 AromaticContact CD2-CE1 3.34Å; F502-Y514 HydrophobicContact CD2-CE1 3.34Å; F502-Y514 HydrophobicContact CD2-CE2 4.07Å; F502-Y514 AromaticContact CD2-CG 3.39Å; F502-Y514 HydrophobicContact CD2-CG 3.39Å; F502-Y514 AromaticContact CD2-CZ 3.81Å; F502-Y514 AromaticContact CE2-CD1 3.33Å; F502-Y514 HydrophobicContact CE2-CD1 3.33Å; F502-Y514 AromaticContact CE2-CE1 3.68Å; F502-Y514 HydrophobicContact CE2-CE1 3.68Å; F502-Y514 AromaticContact CE2-CG 3.96Å; F502-Y514 HydrophobicContact CE2-CG 3.96Å; F502-Y514 HydrophobicContact CG-CD1 4.03Å; F502-Y514 HydrophobicContact CG-CD2 4.43Å; F502-Y514 AromaticContact CG-CE1 3.79Å; F502-Y514 HydrophobicContact CG-CE1 3.79Å; F502-Y514 HydrophobicContact CG-CE2 4.24Å; F502-Y514 HydrophobicContact CG-CG 4.33Å; F502-Y514 AromaticContact CG-CZ 3.9Å; F502-Y514 HydrophobicContact CZ-CD1 4.38Å; F502-Y514 HydrophobicContact CZ-CE1 4.41Å; F502-F578 HydrophobicContact CB-CD1 4.17Å; F502-F578 HydrophobicContact CB-CE1 4.5Å; F502-F578 AromaticContact CD1-CD1 3.66Å; F502-F578 HydrophobicContact CD1-CD1 3.66Å; F502-F578 AromaticContact CD1-CD2 3.88Å; F502-F578 HydrophobicContact CD1-CD2 3.88Å; F502-F578 AromaticContact CD1-CE1 3.34Å; F502-F578 HydrophobicContact CD1-CE1 3.34Å; F502-F578 AromaticContact CD1-CE2 3.6Å; F502-F578 HydrophobicContact CD1-CE2 3.6Å; F502-F578 AromaticContact CD1-CG 3.93Å; F502-F578 HydrophobicContact CD1-CG 3.93Å; F502-F578 AromaticContact CD1-CZ 3.32Å; F502-F578 HydrophobicContact CD1-CZ 3.32Å; F502-F578 HydrophobicContact CE1-CD2 4.43Å; F502-F578 AromaticContact CE1-CE1 3.84Å; F502-F578 HydrophobicContact CE1-CE1 3.84Å; F502-F578 AromaticContact CE1-CE2 3.73Å; F502-F578 HydrophobicContact CE1-CE2 3.73Å; F502-F578 AromaticContact CE1-CZ 3.39Å; F502-F578 HydrophobicContact CE1-CZ 3.39Å; F502-F578 HydrophobicContact CG-CD1 4.3Å; F502-F578 HydrophobicContact CG-CE1 4.17Å
503	P	95.4	Very high	97.4	Very high	9 Å²	9	48 Å²	48	6%	0.058	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-61.1	-16.7	175.8	-26.8	38.2	0	0	0	114.5	Y444 A500 L501 C505 F575 F578	Y444-P503 PolarHBondContact OH-O 3.33Å; A500-P503 WeakPolarHBondContact O-CD 3.37Å; L501-P503 VanDerWaalsContact C-CD 3.46Å; P503-C505 VanDerWaalsContact C-N 3.34Å; P503-F575 HydrophobicContact CB-CB 4.3Å; P503-F575 HydrophobicContact CB-CD2 3.43Å; P503-F575 VanDerWaalsContact CB-CD2 3.43Å; P503-F575 HydrophobicContact CB-CE2 4.07Å; P503-F575 HydrophobicContact CB-CG 4.18Å; P503-F575 HydrophobicContact CG-CD2 4.14Å; P503-F578 HydrophobicContact CG-CB 3.45Å; P503-F578 VanDerWaalsContact CG-CB 3.45Å; P503-F578 HydrophobicContact CG-CD2 4.35Å; P503-F578 HydrophobicContact CG-CG 4.15Å
504	F	96.1	Very high	97.4	Very high	127 Å²	127	47 Å²	47	56%	0.557	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-86.8	-7.9	174.5	-56.8	-81.1	0	0	0	112.5	L501 F502 L506 F575	L501-F504 HydrophobicContact CD2-CD2 4.29Å; L501-F504 WeakPolarHBondContact O-CB 3.42Å; L501-F504 WeakPolarHBondContact O-CD2 3.38Å; L501-F504 PolarHBondContact O-N 3.31Å; F502-F504 PolarHBondContact O-N 3.37Å; F504-L506 PolarHBondContact O-N 3.08Å; F504-F575 HydrophobicContact CE1-CE2 4.05Å; F504-F575 HydrophobicContact CE2-CE2 4.05Å; F504-F575 AromaticContact CZ-CE2 3.62Å; F504-F575 HydrophobicContact CZ-CE2 3.62Å; F504-F575 HydrophobicContact CZ-CZ 4.02Å
505	C	95.2	Very high	97.4	Very high	13 Å²	13	45 Å²	45	9%	0.088	24%	0.242	C	C	.	.			trans	-78.8	82	176	-56.3	0	0	0	0	110.3	F502 P503 I510 M511	F502-C505 HydrophobicContact CD2-CB 4.22Å; F502-C505 HydrophobicContact CE2-CB 4.43Å; F502-C505 WeakPolarHBondContact O-CB 3.5Å; F502-C505 PolarHBondContact O-N 3.13Å; P503-C505 VanDerWaalsContact C-N 3.34Å; C505-I510 HydrophobicContact CB-CB 4.26Å; C505-I510 HydrophobicContact CB-CG2 3.84Å; C505-I510 VanDerWaalsContact SG-CG2 3.56Å; C505-M511 HydrophobicContact CB-CG 3.95Å; C505-M511 WeakPolarHBondContact O-CE 3.31Å; C505-M511 WeakPolarHBondContact O-CG 3.35Å
506	L	95.2	Very high	97.4	Very high	116 Å²	116	48.1 Å²	48.1	61%	0.607	26%	0.261	S	S	*	.			trans	-81.2	-23.2	-178.9	-60.6	175.5	0	0	0	113.8	L448 F504	L448-L506 HydrophobicContact CD1-CB 4.46Å; L448-L506 HydrophobicContact CD1-CD2 4.04Å; L448-L506 HydrophobicContact CD2-CD2 4.48Å; F504-L506 PolarHBondContact O-N 3.08Å
507	L	96.4	Very high	97.4	Very high	114 Å²	114	51.9 Å²	51.9	60%	0.597	28%	0.28	S	S	*	.	S	Bend	trans	-97.3	137	-179	-71.8	149.8	0	0	0	110.2	S509 I510 M511	L507-S509 VanDerWaalsContact C-N 3.26Å; L507-S509 PolarHBondContact O-N 2.95Å; L507-I510 HydrophobicContact CB-CD1 4.03Å; L507-I510 HydrophobicContact CB-CG1 4.02Å; L507-I510 HydrophobicContact CD1-CD1 3.8Å; L507-I510 HydrophobicContact CD1-CG1 4.47Å; L507-I510 PolarHBondContact O-N 3.35Å; L507-M511 PolarHBondContact O-N 3.41Å
508	Y	97.6	Very high	97.4	Very high	60 Å²	60	48.4 Å²	48.4	24%	0.235	26%	0.26	C	S	.	.	H	α-helix	trans	-52.6	-42.3	177.5	-179.8	-99.9	0	0	0	113	A454 L457 L458 I510 M511 A512	A454-Y508 HydrophobicContact CB-CD2 4.35Å; A454-Y508 HydrophobicContact CB-CE2 3.84Å; A454-Y508 WeakPolarHBondContact O-CE2 3.37Å; A454-Y508 PolarHBondContact O-OH 3.38Å; L457-Y508 WeakPolarHBondContact CD2-OH 3.41Å; L458-Y508 HydrophobicContact CD1-CE2 4.28Å; L458-Y508 HydrophobicContact CD2-CD2 4.46Å; L458-Y508 HydrophobicContact CD2-CE2 3.84Å; L458-Y508 HydrophobicContact CG-CE2 3.91Å; Y508-I510 VanDerWaalsContact C-N 3.25Å; Y508-I510 PolarHBondContact O-N 3.5Å; Y508-M511 WeakPolarHBondContact O-CB 3.43Å; Y508-M511 PolarHBondContact O-N 3.15Å; Y508-M511 VanDerWaalsContact O-N 3.16Å; Y508-A512 WeakPolarHBondContact O-CB 3.43Å; Y508-A512 PolarHBondContact O-N 3Å
509	S	97.5	Very high	97.2	Very high	83 Å²	83	46.9 Å²	46.9	58%	0.58	25%	0.251	S	S	*	.	H	α-helix	trans	-59.8	-36	178.2	-50.9	0	0	0	0	112.6	L507 I513	L507-S509 VanDerWaalsContact C-N 3.26Å; L507-S509 PolarHBondContact O-N 2.95Å; S509-I513 VanDerWaalsContact O-CG1 3.31Å; S509-I513 WeakPolarHBondContact O-CG1 3.01Å; S509-I513 PolarHBondContact O-N 3.4Å; S509-I513 VanDerWaalsContact O-N 3.13Å
510	I	97.5	Very high	97.2	Very high	73 Å²	73	50.3 Å²	50.3	37%	0.374	27%	0.267	S	S	.	.	H	α-helix	trans	-74.7	-40.2	177.8	-55	177.9	0	0	0	109.8	C505 L507 Y508 A512 I513 Y514	C505-I510 HydrophobicContact CB-CB 4.26Å; C505-I510 HydrophobicContact CB-CG2 3.84Å; C505-I510 VanDerWaalsContact SG-CG2 3.56Å; L507-I510 HydrophobicContact CB-CD1 4.03Å; L507-I510 HydrophobicContact CB-CG1 4.02Å; L507-I510 HydrophobicContact CD1-CD1 3.8Å; L507-I510 HydrophobicContact CD1-CG1 4.47Å; L507-I510 PolarHBondContact O-N 3.35Å; Y508-I510 VanDerWaalsContact C-N 3.25Å; Y508-I510 PolarHBondContact O-N 3.5Å; I510-A512 VanDerWaalsContact C-N 3.29Å; I510-A512 PolarHBondContact O-N 3.35Å; I510-I513 PolarHBondContact O-N 2.85Å; I510-Y514 PolarHBondContact O-N 2.78Å
511	M	98	Very high	97.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.5	-40.2	173	-62.6	177.5	179.9	0	0	111.9	Y444 A445 L448 L458 F502 C505 L507 Y508 Y514 A515	Y444-M511 HydrophobicContact CD1-CE 3.83Å; Y444-M511 HydrophobicContact CE1-CE 3.65Å; A445-M511 HydrophobicContact CB-CE 4.4Å; A445-M511 HydrophobicContact CB-SD 3.72Å; L448-M511 HydrophobicContact CD1-CE 3.33Å; L448-M511 HydrophobicContact CG-CE 4.25Å; L458-M511 HydrophobicContact CD1-CB 3.99Å; L458-M511 HydrophobicContact CD1-SD 4.08Å; L458-M511 HydrophobicContact CD2-CB 3.95Å; F502-M511 HydrophobicContact CE2-CB 4.1Å; F502-M511 HydrophobicContact CE2-CG 3.98Å; F502-M511 HydrophobicContact CZ-CG 4.28Å; C505-M511 HydrophobicContact CB-CG 3.95Å; C505-M511 WeakPolarHBondContact O-CE 3.31Å; C505-M511 WeakPolarHBondContact O-CG 3.35Å; L507-M511 PolarHBondContact O-N 3.41Å; Y508-M511 WeakPolarHBondContact O-CB 3.43Å; Y508-M511 PolarHBondContact O-N 3.15Å; Y508-M511 VanDerWaalsContact O-N 3.16Å; M511-Y514 WeakPolarHBondContact O-CB 3.37Å; M511-Y514 PolarHBondContact O-N 3.12Å; M511-A515 WeakPolarHBondContact O-CB 3.38Å; M511-A515 PolarHBondContact O-N 2.95Å
512	A	98	Very high	97.1	Very high	20 Å²	20	47 Å²	47	17%	0.165	25%	0.246	C	C	.	.	H	α-helix	trans	-65.3	-41.5	177	0	0	0	0	0	112	L458 L461 Y508 I510 A515 V516	L458-A512 HydrophobicContact CD2-CB 4.08Å; L461-A512 HydrophobicContact CD1-CB 3.84Å; Y508-A512 WeakPolarHBondContact O-CB 3.43Å; Y508-A512 PolarHBondContact O-N 3Å; I510-A512 VanDerWaalsContact C-N 3.29Å; I510-A512 PolarHBondContact O-N 3.35Å; A512-A515 PolarHBondContact O-N 3.04Å; A512-V516 WeakPolarHBondContact O-CG2 3.49Å; A512-V516 PolarHBondContact O-N 2.99Å; A512-V516 VanDerWaalsContact O-N 3.08Å
513	I	98.2	Very high	96.9	Very high	107 Å²	107	47 Å²	47	55%	0.549	25%	0.246	S	C	.	.	H	α-helix	trans	-62	-45.1	173.4	-68	164.6	0	0	0	110.4	S509 I510 A515 V516 L517	S509-I513 VanDerWaalsContact O-CG1 3.31Å; S509-I513 WeakPolarHBondContact O-CG1 3.01Å; S509-I513 PolarHBondContact O-N 3.4Å; S509-I513 VanDerWaalsContact O-N 3.13Å; I510-I513 PolarHBondContact O-N 2.85Å; I513-A515 PolarHBondContact O-N 2.84Å; I513-V516 PolarHBondContact O-N 3.29Å; I513-L517 HydrophobicContact CG2-CD1 3.88Å; I513-L517 HydrophobicContact CG2-CG 4.36Å; I513-L517 WeakPolarHBondContact O-CG 3.4Å; I513-L517 PolarHBondContact O-N 3.25Å
514	Y	98.2	Very high	96.8	Very high	8 Å²	8	46.9 Å²	46.9	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-57	-48.4	173.8	163.7	-93.5	0	0	0	111.6	P437 L498 T499 F502 I510 M511 V516 L517 F518	P437-Y514 WeakPolarHBondContact CG-OH 3.14Å; L498-Y514 VanDerWaalsContact C-CE2 3.48Å; L498-Y514 HydrophobicContact CB-CD2 4.08Å; L498-Y514 HydrophobicContact CB-CE2 3.86Å; L498-Y514 VanDerWaalsContact O-CE2 3.26Å; L498-Y514 WeakPolarHBondContact O-CE2 3.29Å; T499-Y514 PolarHBondContact OG1-OH 2.79Å; F502-Y514 HydrophobicContact CB-CD2 4.2Å; F502-Y514 HydrophobicContact CB-CE1 4.3Å; F502-Y514 HydrophobicContact CB-CE2 3.86Å; F502-Y514 AromaticContact CD2-CD1 3.11Å; F502-Y514 HydrophobicContact CD2-CD1 3.11Å; F502-Y514 AromaticContact CD2-CD2 3.87Å; F502-Y514 HydrophobicContact CD2-CD2 3.87Å; F502-Y514 AromaticContact CD2-CE1 3.34Å; F502-Y514 HydrophobicContact CD2-CE1 3.34Å; F502-Y514 HydrophobicContact CD2-CE2 4.07Å; F502-Y514 AromaticContact CD2-CG 3.39Å; F502-Y514 HydrophobicContact CD2-CG 3.39Å; F502-Y514 AromaticContact CD2-CZ 3.81Å; F502-Y514 AromaticContact CE2-CD1 3.33Å; F502-Y514 HydrophobicContact CE2-CD1 3.33Å; F502-Y514 AromaticContact CE2-CE1 3.68Å; F502-Y514 HydrophobicContact CE2-CE1 3.68Å; F502-Y514 AromaticContact CE2-CG 3.96Å; F502-Y514 HydrophobicContact CE2-CG 3.96Å; F502-Y514 HydrophobicContact CG-CD1 4.03Å; F502-Y514 HydrophobicContact CG-CD2 4.43Å; F502-Y514 AromaticContact CG-CE1 3.79Å; F502-Y514 HydrophobicContact CG-CE1 3.79Å; F502-Y514 HydrophobicContact CG-CE2 4.24Å; F502-Y514 HydrophobicContact CG-CG 4.33Å; F502-Y514 AromaticContact CG-CZ 3.9Å; F502-Y514 HydrophobicContact CZ-CD1 4.38Å; F502-Y514 HydrophobicContact CZ-CE1 4.41Å; I510-Y514 PolarHBondContact O-N 2.78Å; M511-Y514 WeakPolarHBondContact O-CB 3.37Å; M511-Y514 PolarHBondContact O-N 3.12Å; Y514-V516 VanDerWaalsContact C-N 3.3Å; Y514-V516 PolarHBondContact O-N 3.36Å; Y514-L517 PolarHBondContact O-N 3.09Å; Y514-F518 HydrophobicContact CD2-CB 4.43Å; Y514-F518 HydrophobicContact CE1-CB 4.31Å; Y514-F518 HydrophobicContact CE2-CB 4Å; Y514-F518 HydrophobicContact CE2-CD2 4.28Å; Y514-F518 HydrophobicContact CE2-CG 4.39Å; Y514-F518 VanDerWaalsContact O-CB 3.29Å; Y514-F518 WeakPolarHBondContact O-CB 3.31Å; Y514-F518 PolarHBondContact O-N 3.16Å
515	A	97.6	Very high	96.8	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-57.1	-43.9	-179.3	0	0	0	0	0	111.6	L458 L461 L462 M511 A512 I513 G519	L458-A515 HydrophobicContact CD2-CB 4.35Å; L461-A515 HydrophobicContact CB-CB 4.01Å; L462-A515 HydrophobicContact CD2-CB 4.37Å; L462-A515 WeakPolarHBondContact CD2-O 3.41Å; L462-A515 HydrophobicContact CG-CB 3.92Å; M511-A515 WeakPolarHBondContact O-CB 3.38Å; M511-A515 PolarHBondContact O-N 2.95Å; A512-A515 PolarHBondContact O-N 3.04Å; I513-A515 PolarHBondContact O-N 2.84Å; A515-G519 PolarHBondContact O-N 3.41Å
516	V	98.1	Very high	96.6	Very high	65 Å²	65	41.7 Å²	41.7	39%	0.394	22%	0.224	S	C	.	.	H	α-helix	trans	-66	-47.4	176.3	174.3	0	0	0	0	111.5	L461 A465 A512 I513 Y514 F520	L461-V516 HydrophobicContact CB-CG2 4.39Å; L461-V516 HydrophobicContact CD2-CG2 4.24Å; A465-V516 HydrophobicContact CB-CB 4.38Å; A465-V516 HydrophobicContact CB-CG1 4.14Å; A465-V516 WeakPolarHBondContact CB-O 3.44Å; A512-V516 WeakPolarHBondContact O-CG2 3.49Å; A512-V516 PolarHBondContact O-N 2.99Å; A512-V516 VanDerWaalsContact O-N 3.08Å; I513-V516 PolarHBondContact O-N 3.29Å; Y514-V516 VanDerWaalsContact C-N 3.3Å; Y514-V516 PolarHBondContact O-N 3.36Å; V516-F520 WeakPolarHBondContact O-CB 3.37Å; V516-F520 PolarHBondContact O-N 3.27Å
517	L	98.2	Very high	96.3	Very high	78 Å²	78	37.8 Å²	37.8	41%	0.408	21%	0.207	S	C	.	.	H	α-helix	trans	-65.2	-48.9	-179.2	-71.2	175.7	0	0	0	112.1	L498 I513 Y514 F520 I521	L498-L517 HydrophobicContact CD1-CB 3.86Å; L498-L517 HydrophobicContact CD2-CB 4.5Å; L498-L517 HydrophobicContact CD2-CD1 4.29Å; I513-L517 HydrophobicContact CG2-CD1 3.88Å; I513-L517 HydrophobicContact CG2-CG 4.36Å; I513-L517 WeakPolarHBondContact O-CG 3.4Å; I513-L517 PolarHBondContact O-N 3.25Å; Y514-L517 PolarHBondContact O-N 3.09Å; L517-F520 PolarHBondContact O-N 3.04Å; L517-I521 WeakPolarHBondContact O-CB 3.46Å; L517-I521 WeakPolarHBondContact O-CD1 3.14Å; L517-I521 WeakPolarHBondContact O-CG1 3.15Å; L517-I521 PolarHBondContact O-N 2.83Å
518	F	97.8	Very high	96.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.4	-49	179.4	179.8	-86.8	0	0	0	110.7	P437 F438 L462 C495 T499 Y514 F520 I521 I522	P437-F518 HydrophobicContact CB-CD1 4.25Å; P437-F518 HydrophobicContact CB-CE1 3.79Å; P437-F518 HydrophobicContact CB-CE2 4.4Å; P437-F518 HydrophobicContact CB-CZ 3.89Å; P437-F518 HydrophobicContact CG-CD2 4.49Å; P437-F518 HydrophobicContact CG-CE1 4.01Å; P437-F518 HydrophobicContact CG-CE2 3.83Å; P437-F518 HydrophobicContact CG-CZ 3.55Å; F438-F518 HydrophobicContact CE2-CE1 4.02Å; F438-F518 HydrophobicContact CZ-CE1 4.47Å; L462-F518 HydrophobicContact CD2-CB 4.18Å; L462-F518 HydrophobicContact CD2-CD1 3.46Å; L462-F518 VanDerWaalsContact CD2-CD1 3.46Å; L462-F518 HydrophobicContact CD2-CE1 4.31Å; L462-F518 HydrophobicContact CD2-CG 4.24Å; C495-F518 HydrophobicContact CB-CD2 4.2Å; C495-F518 HydrophobicContact CB-CE2 4.02Å; T499-F518 WeakPolarHBondContact OG1-CD2 3.5Å; T499-F518 WeakPolarHBondContact OG1-CE2 3.37Å; Y514-F518 HydrophobicContact CD2-CB 4.43Å; Y514-F518 HydrophobicContact CE1-CB 4.31Å; Y514-F518 HydrophobicContact CE2-CB 4Å; Y514-F518 HydrophobicContact CE2-CD2 4.28Å; Y514-F518 HydrophobicContact CE2-CG 4.39Å; Y514-F518 VanDerWaalsContact O-CB 3.29Å; Y514-F518 WeakPolarHBondContact O-CB 3.31Å; Y514-F518 PolarHBondContact O-N 3.16Å; F518-F520 PolarHBondContact O-N 3.23Å; F518-I521 PolarHBondContact O-N 2.85Å; F518-I522 HydrophobicContact CD1-CB 4.48Å; F518-I522 HydrophobicContact CD1-CG2 4.13Å; F518-I522 HydrophobicContact CE1-CB 4.13Å; F518-I522 HydrophobicContact CE1-CG1 4.32Å; F518-I522 HydrophobicContact CE1-CG2 3.84Å; F518-I522 HydrophobicContact CE2-CD1 4.47Å; F518-I522 HydrophobicContact CZ-CB 4.14Å; F518-I522 HydrophobicContact CZ-CD1 4.28Å; F518-I522 HydrophobicContact CZ-CG1 3.98Å; F518-I522 HydrophobicContact CZ-CG2 4.33Å; F518-I522 WeakPolarHBondContact O-CB 3.31Å; F518-I522 WeakPolarHBondContact O-CG2 3.2Å; F518-I522 PolarHBondContact O-N 3.03Å
519	G	95.9	Very high	96	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.3	-47.3	179.1	0	0	0	0	0	112.1	N466 A515	N466-G519 WeakPolarHBondContact CA-O 3.22Å; N466-G519 WeakPolarHBondContact CB-O 3.23Å; N466-G519 PolarHBondContact N-O 3.12Å; A515-G519 PolarHBondContact O-N 3.41Å
520	F	96.5	Very high	95.7	Very high	73 Å²	73	26.7 Å²	26.7	32%	0.32	15%	0.147	S	C	.	.	H	α-helix	trans	-64.3	-45.8	179.1	-179.2	-92.5	0	0	0	113.1	A465 I468 G469 F472 V516 L517 F518 A523	A465-F520 HydrophobicContact CB-CB 4.22Å; A465-F520 WeakPolarHBondContact O-CA 3.32Å; I468-F520 HydrophobicContact CG2-CD2 4.23Å; I468-F520 HydrophobicContact CG2-CE2 4.08Å; G469-F520 VanDerWaalsContact CA-CD2 3.5Å; G469-F520 WeakPolarHBondContact CA-O 3.37Å; F472-F520 HydrophobicContact CB-CE2 4.09Å; F472-F520 HydrophobicContact CB-CZ 4.16Å; F472-F520 HydrophobicContact CD1-CE1 4.08Å; F472-F520 HydrophobicContact CD1-CE2 4.18Å; F472-F520 AromaticContact CD1-CZ 3.39Å; F472-F520 HydrophobicContact CD1-CZ 3.39Å; F472-F520 HydrophobicContact CE1-CE1 4.32Å; F472-F520 AromaticContact CE1-CZ 3.86Å; F472-F520 HydrophobicContact CE1-CZ 3.86Å; F472-F520 HydrophobicContact CG-CE2 4.2Å; F472-F520 AromaticContact CG-CZ 3.79Å; F472-F520 HydrophobicContact CG-CZ 3.79Å; V516-F520 WeakPolarHBondContact O-CB 3.37Å; V516-F520 PolarHBondContact O-N 3.27Å; L517-F520 PolarHBondContact O-N 3.04Å; F518-F520 PolarHBondContact O-N 3.23Å; F520-A523 WeakPolarHBondContact O-CB 3.32Å
521	I	97.7	Very high	95.5	Very high	40 Å²	40	23.7 Å²	23.7	21%	0.205	13%	0.132	C	C	.	.	H	α-helix	trans	-74.5	-44.5	-173.3	-63.7	168.6	0	0	0	110.6	S491 A494 C495 L498 L517 F518 A523 A524	S491-I521 WeakPolarHBondContact CB-O 3.45Å; S491-I521 VanDerWaalsContact O-CG2 3.29Å; S491-I521 WeakPolarHBondContact O-CG2 3.44Å; A494-I521 HydrophobicContact CB-CD1 4.39Å; A494-I521 HydrophobicContact CB-CG2 4.07Å; C495-I521 WeakPolarHBondContact SG-CG2 3.38Å; L498-I521 HydrophobicContact CD1-CD1 3.75Å; L517-I521 WeakPolarHBondContact O-CB 3.46Å; L517-I521 WeakPolarHBondContact O-CD1 3.14Å; L517-I521 WeakPolarHBondContact O-CG1 3.15Å; L517-I521 PolarHBondContact O-N 2.83Å; F518-I521 PolarHBondContact O-N 2.85Å; I521-A523 PolarHBondContact O-N 3.17Å; I521-A523 VanDerWaalsContact O-N 3.09Å; I521-A524 PolarHBondContact O-N 3.46Å
522	I	95.2	Very high	95.4	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-65.2	-20.1	-175.7	-159	66.4	0	0	0	112.4	F434 L492 C495 F518 A524 F525	F434-I522 HydrophobicContact CD2-CD1 4.11Å; F434-I522 HydrophobicContact CD2-CG1 3.64Å; F434-I522 HydrophobicContact CE2-CD1 4.49Å; F434-I522 HydrophobicContact CE2-CG1 3.57Å; F434-I522 HydrophobicContact CE2-CG2 4.46Å; L492-I522 HydrophobicContact CD2-CD1 4.35Å; C495-I522 HydrophobicContact CB-CD1 3.77Å; C495-I522 VanDerWaalsContact SG-CA 3.51Å; C495-I522 VanDerWaalsContact SG-CB 3.56Å; C495-I522 PolarHBondContact SG-N 3.3Å; F518-I522 HydrophobicContact CD1-CB 4.48Å; F518-I522 HydrophobicContact CD1-CG2 4.13Å; F518-I522 HydrophobicContact CE1-CB 4.13Å; F518-I522 HydrophobicContact CE1-CG1 4.32Å; F518-I522 HydrophobicContact CE1-CG2 3.84Å; F518-I522 HydrophobicContact CE2-CD1 4.47Å; F518-I522 HydrophobicContact CZ-CB 4.14Å; F518-I522 HydrophobicContact CZ-CD1 4.28Å; F518-I522 HydrophobicContact CZ-CG1 3.98Å; F518-I522 HydrophobicContact CZ-CG2 4.33Å; F518-I522 WeakPolarHBondContact O-CB 3.31Å; F518-I522 WeakPolarHBondContact O-CG2 3.2Å; F518-I522 PolarHBondContact O-N 3.03Å; I522-A524 PolarHBondContact O-N 3.13Å; I522-F525 HydrophobicContact CD1-CB 4.49Å; I522-F525 WeakPolarHBondContact O-CB 3.36Å; I522-F525 PolarHBondContact O-N 3.45Å; I522-F525 VanDerWaalsContact O-N 3.14Å
523	A	93.6	Very high	95.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-54	-37.4	178.4	0	0	0	0	0	113.6	R470 F520 I521 F525 V526 S527	R470-A523 HydrophobicContact CB-CB 4.4Å; R470-A523 HydrophobicContact CG-CB 3.73Å; R470-A523 VanDerWaalsContact N-CB 3.33Å; F520-A523 WeakPolarHBondContact O-CB 3.32Å; I521-A523 PolarHBondContact O-N 3.17Å; I521-A523 VanDerWaalsContact O-N 3.09Å; A523-F525 VanDerWaalsContact C-N 3.3Å; A523-F525 PolarHBondContact O-N 3.18Å; A523-V526 PolarHBondContact O-N 3.36Å; A523-S527 WeakPolarHBondContact O-CB 3.45Å; A523-S527 PolarHBondContact O-N 2.89Å; A523-S527 PolarHBondContact O-OG 3.45Å; A523-S527 VanDerWaalsContact O-OG 3.04Å
524	A	95.1	Very high	95	Very high	6 Å²	6	19 Å²	19	5%	0.05	11%	0.105	C	C	.	.	H	α-helix	trans	-64.6	-33.7	-179	0	0	0	0	0	112.7	A473 I521 I522 V526 L528	A473-A524 HydrophobicContact CB-CB 3.77Å; I521-A524 PolarHBondContact O-N 3.46Å; I522-A524 PolarHBondContact O-N 3.13Å; A524-V526 VanDerWaalsContact C-N 3.33Å; A524-V526 PolarHBondContact O-N 3.3Å; A524-L528 HydrophobicContact CB-CD1 4.16Å; A524-L528 VanDerWaalsContact O-CB 3.3Å; A524-L528 WeakPolarHBondContact O-CB 3.49Å; A524-L528 VanDerWaalsContact O-CG 3.24Å; A524-L528 WeakPolarHBondContact O-CG 3.31Å; A524-L528 PolarHBondContact O-N 3.02Å
525	F	94.9	Very high	94.7	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.018	12%	0.124	C	C	.	.	H	α-helix	trans	-62.1	-41	177.7	172.7	-123.7	0	0	0	111.9	N427 M431 F434 L492 I522 A523 T529	N427-F525 WeakPolarHBondContact OD1-CE2 3.47Å; M431-F525 HydrophobicContact CG-CE1 4.29Å; M431-F525 HydrophobicContact CG-CZ 4.35Å; M431-F525 HydrophobicContact SD-CE1 3.76Å; M431-F525 HydrophobicContact SD-CZ 4.35Å; F434-F525 HydrophobicContact CD2-CD1 4.1Å; F434-F525 HydrophobicContact CD2-CE1 4.37Å; F434-F525 HydrophobicContact CE2-CD1 4.46Å; L492-F525 HydrophobicContact CD1-CD2 3.72Å; L492-F525 HydrophobicContact CD1-CE2 4.02Å; L492-F525 HydrophobicContact CD1-CG 4.44Å; L492-F525 HydrophobicContact CD2-CB 4.08Å; L492-F525 HydrophobicContact CD2-CD1 4.08Å; L492-F525 HydrophobicContact CD2-CD2 3.78Å; L492-F525 HydrophobicContact CD2-CE1 4.46Å; L492-F525 HydrophobicContact CD2-CE2 4.2Å; L492-F525 HydrophobicContact CD2-CG 3.71Å; L492-F525 HydrophobicContact CG-CB 4.31Å; L492-F525 HydrophobicContact CG-CD2 3.96Å; L492-F525 HydrophobicContact CG-CG 4.2Å; I522-F525 HydrophobicContact CD1-CB 4.49Å; I522-F525 WeakPolarHBondContact O-CB 3.36Å; I522-F525 PolarHBondContact O-N 3.45Å; I522-F525 VanDerWaalsContact O-N 3.14Å; A523-F525 VanDerWaalsContact C-N 3.3Å; A523-F525 PolarHBondContact O-N 3.18Å; F525-T529 PolarHBondContact O-OG1 2.9Å
526	V	91	Very high	94.4	Very high	28 Å²	28	24 Å²	24	17%	0.17	13%	0.131	C	C	.	.	H	α-helix	trans	-81.1	-46.7	-179.5	-172.5	0	0	0	0	111.2	F434 A523 A524 L528 T529	F434-V526 HydrophobicContact CE2-CG2 3.64Å; F434-V526 HydrophobicContact CZ-CG2 3.78Å; A523-V526 PolarHBondContact O-N 3.36Å; A524-V526 VanDerWaalsContact C-N 3.33Å; A524-V526 PolarHBondContact O-N 3.3Å; V526-L528 PolarHBondContact O-N 3.24Å; V526-T529 PolarHBondContact O-OG1 3.39Å
527	S	89.9	Confident	94.1	Very high	34 Å²	34	21.7 Å²	21.7	24%	0.238	12%	0.116	C	C	.	.	H	α-helix	trans	-70.1	-29.1	-171.5	63.1	0	0	0	0	114.3	A523	A523-S527 WeakPolarHBondContact O-CB 3.45Å; A523-S527 PolarHBondContact O-N 2.89Å; A523-S527 PolarHBondContact O-OG 3.45Å; A523-S527 VanDerWaalsContact O-OG 3.04Å
528	L	93.2	Very high	93.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	2.4	-174.7	-55.5	-177.3	0	0	0	113.7	S477 A484 L487 A524 V526 S530 I531 I532	S477-L528 VanDerWaalsContact CB-CD2 3.47Å; S477-L528 VanDerWaalsContact OG-CD2 3.28Å; S477-L528 WeakPolarHBondContact OG-CD2 3.47Å; A484-L528 HydrophobicContact CB-CB 4.41Å; A484-L528 HydrophobicContact CB-CD1 4.35Å; L487-L528 HydrophobicContact CB-CD1 4.15Å; L487-L528 HydrophobicContact CD2-CD1 3.68Å; L487-L528 HydrophobicContact CG-CD1 3.9Å; A524-L528 HydrophobicContact CB-CD1 4.16Å; A524-L528 VanDerWaalsContact O-CB 3.3Å; A524-L528 WeakPolarHBondContact O-CB 3.49Å; A524-L528 VanDerWaalsContact O-CG 3.24Å; A524-L528 WeakPolarHBondContact O-CG 3.31Å; A524-L528 PolarHBondContact O-N 3.02Å; V526-L528 PolarHBondContact O-N 3.24Å; L528-S530 PolarHBondContact O-N 3.06Å; L528-I531 HydrophobicContact CD2-CD1 3.99Å; L528-I531 PolarHBondContact O-N 3.5Å; L528-I532 HydrophobicContact CB-CD1 4.06Å; L528-I532 HydrophobicContact CB-CG1 4.39Å; L528-I532 VanDerWaalsContact O-CG1 3.3Å; L528-I532 WeakPolarHBondContact O-CG1 3.08Å; L528-I532 PolarHBondContact O-N 2.86Å
529	T	93.6	Very high	93.1	Very high	10 Å²	10	19.6 Å²	19.6	6%	0.061	11%	0.113	C	C	.	.	H	α-helix	trans	-53	-54.2	-173.2	-54.4	0	0	0	0	112.6	F525 V526 I531 I532 L533 F546 L549 R553	F525-T529 PolarHBondContact O-OG1 2.9Å; V526-T529 PolarHBondContact O-OG1 3.39Å; T529-I531 VanDerWaalsContact C-N 3.34Å; T529-I531 PolarHBondContact O-N 3.24Å; T529-I532 PolarHBondContact O-N 3.47Å; T529-L533 HydrophobicContact CG2-CD1 4.38Å; T529-L533 WeakPolarHBondContact O-CG 3.41Å; T529-L533 PolarHBondContact O-N 3.45Å; T529-L533 VanDerWaalsContact O-N 3.13Å; T529-F546 HydrophobicContact CG2-CD2 4.44Å; T529-F546 HydrophobicContact CG2-CE2 4.24Å; T529-L549 HydrophobicContact CG2-CD2 3.4Å; T529-L549 VanDerWaalsContact CG2-CD2 3.4Å; T529-R553 PolarHBondContact OG1-NH1 3.4Å; T529-R553 VanDerWaalsContact OG1-NH1 3.12Å
530	S	92.5	Very high	92.5	Very high	14 Å²	14	25.4 Å²	25.4	10%	0.098	14%	0.14	C	C	.	.	H	α-helix	trans	-69.7	-31.7	-177.8	56.1	0	0	0	0	112.8	L340 G342 L528 L533 V534	L340-S530 WeakPolarHBondContact O-CB 3.08Å; G342-S530 PolarHBondContact N-OG 3.26Å; L528-S530 PolarHBondContact O-N 3.06Å; S530-L533 PolarHBondContact O-N 3.38Å; S530-V534 WeakPolarHBondContact O-CG2 3.5Å; S530-V534 PolarHBondContact O-N 3.24Å; S530-V534 VanDerWaalsContact O-N 3.08Å
531	I	92.5	Very high	92	Very high	10 Å²	10	25 Å²	25	5%	0.051	14%	0.141	C	C	.	.	H	α-helix	trans	-65	-47.5	176.3	-57.1	173.6	0	0	0	110	Y341 A484 L528 T529 L533 V534 D535	Y341-I531 HydrophobicContact CE2-CG1 4.11Å; A484-I531 HydrophobicContact CB-CB 4.33Å; A484-I531 HydrophobicContact CB-CG2 3.75Å; L528-I531 HydrophobicContact CD2-CD1 3.99Å; L528-I531 PolarHBondContact O-N 3.5Å; T529-I531 VanDerWaalsContact C-N 3.34Å; T529-I531 PolarHBondContact O-N 3.24Å; I531-L533 VanDerWaalsContact C-N 3.32Å; I531-L533 PolarHBondContact O-N 2.56Å; I531-V534 PolarHBondContact O-N 2.9Å; I531-D535 WeakPolarHBondContact O-CB 3.35Å; I531-D535 PolarHBondContact O-N 3.07Å
532	I	94.9	Very high	91.6	Very high	13 Å²	13	23 Å²	23	7%	0.067	13%	0.131	C	C	.	.	H	α-helix	trans	-60.5	-42.3	177.6	-66.8	166.7	0	0	0	111.3	L423 A484 L485 S488 L528 T529 D535 E536	L423-I532 HydrophobicContact CD2-CG2 3.98Å; A484-I532 HydrophobicContact CB-CG1 3.87Å; L485-I532 HydrophobicContact CB-CG2 4.48Å; L485-I532 HydrophobicContact CD1-CG2 3.87Å; S488-I532 VanDerWaalsContact CB-CD1 3.49Å; L528-I532 HydrophobicContact CB-CD1 4.06Å; L528-I532 HydrophobicContact CB-CG1 4.39Å; L528-I532 VanDerWaalsContact O-CG1 3.3Å; L528-I532 WeakPolarHBondContact O-CG1 3.08Å; L528-I532 PolarHBondContact O-N 2.86Å; T529-I532 PolarHBondContact O-N 3.47Å; I532-D535 PolarHBondContact O-N 3.49Å; I532-E536 HydrophobicContact CG2-CG 4.27Å; I532-E536 VanDerWaalsContact O-CB 3.28Å; I532-E536 WeakPolarHBondContact O-CB 3.47Å; I532-E536 WeakPolarHBondContact O-CG 3.05Å; I532-E536 PolarHBondContact O-N 3.02Å
533	L	94.7	Very high	91.1	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-64.2	-41.3	179.1	-69.7	175.2	0	0	0	111.9	L423 T529 S530 I531 L537 L542 F546 L549	L423-L533 HydrophobicContact CD1-CD2 4.2Å; T529-L533 HydrophobicContact CG2-CD1 4.38Å; T529-L533 WeakPolarHBondContact O-CG 3.41Å; T529-L533 PolarHBondContact O-N 3.45Å; T529-L533 VanDerWaalsContact O-N 3.13Å; S530-L533 PolarHBondContact O-N 3.38Å; I531-L533 VanDerWaalsContact C-N 3.32Å; I531-L533 PolarHBondContact O-N 2.56Å; L533-L537 HydrophobicContact CD2-CD1 3.89Å; L533-L537 WeakPolarHBondContact O-CA 3.17Å; L533-L537 WeakPolarHBondContact O-CB 3Å; L533-L537 PolarHBondContact O-N 3.44Å; L533-L542 HydrophobicContact CB-CD1 3.86Å; L533-L542 HydrophobicContact CD1-CD1 4.31Å; L533-F546 HydrophobicContact CD1-CB 3.85Å; L533-F546 HydrophobicContact CD1-CD2 3.89Å; L533-F546 HydrophobicContact CD1-CG 4.34Å; L533-L549 HydrophobicContact CD1-CD2 4.03Å; L533-L549 HydrophobicContact CD2-CD2 4.29Å; L533-L549 HydrophobicContact CG-CD2 4.41Å
534	V	93.2	Very high	90.8	Very high	12 Å²	12	24 Å²	24	7%	0.073	14%	0.136	C	C	.	.	H	α-helix	trans	-67.3	-46.5	175.9	175.5	0	0	0	0	111.5	Y341 L348 S530 I531 E536 G538 L539 L542	Y341-V534 HydrophobicContact CD2-CB 4.19Å; Y341-V534 HydrophobicContact CD2-CG2 3.58Å; Y341-V534 HydrophobicContact CE2-CB 4.2Å; Y341-V534 HydrophobicContact CE2-CG2 4.1Å; Y341-V534 HydrophobicContact CG-CG2 4.42Å; L348-V534 HydrophobicContact CD2-CG1 3.51Å; S530-V534 WeakPolarHBondContact O-CG2 3.5Å; S530-V534 PolarHBondContact O-N 3.24Å; S530-V534 VanDerWaalsContact O-N 3.08Å; I531-V534 PolarHBondContact O-N 2.9Å; V534-E536 VanDerWaalsContact C-N 3.26Å; V534-E536 PolarHBondContact O-N 3.3Å; V534-G538 WeakPolarHBondContact O-CA 3.48Å; V534-G538 PolarHBondContact O-N 2.81Å; V534-L539 HydrophobicContact CG1-CB 4.31Å; V534-L539 HydrophobicContact CG1-CD1 4.16Å; V534-L539 HydrophobicContact CG2-CD1 3.96Å; V534-L542 HydrophobicContact CG2-CB 4.21Å; V534-L542 HydrophobicContact CG2-CD1 3.82Å; V534-L542 HydrophobicContact CG2-CD2 3.71Å; V534-L542 HydrophobicContact CG2-CG 4.11Å
535	D	91.5	Very high	90.6	Very high	82 Å²	82	23.7 Å²	23.7	44%	0.439	13%	0.134	S	C	.	.	H	α-helix	trans	-60.1	-37.3	178.4	-75.1	-9.4	0	0	0	112.1	I531 I532 K599	I531-D535 WeakPolarHBondContact O-CB 3.35Å; I531-D535 PolarHBondContact O-N 3.07Å; I532-D535 PolarHBondContact O-N 3.49Å; D535-K599 PolarHBondContact O-NZ 3.29Å
536	E	92.2	Very high	90.4	Very high	33 Å²	33	25.5 Å²	25.5	15%	0.154	14%	0.142	C	C	.	.	H	α-helix	trans	-93	-37.4	-172.6	-63.8	-54.9	156.6	0	0	114.7	T419 L423 L485 I532 V534 V595 K599	T419-E536 HydrophobicContact CG2-CB 4.12Å; L423-E536 HydrophobicContact CD1-CB 4.14Å; L485-E536 HydrophobicContact CD2-CG 4.26Å; L485-E536 WeakPolarHBondContact CD2-OE1 3.4Å; I532-E536 HydrophobicContact CG2-CG 4.27Å; I532-E536 VanDerWaalsContact O-CB 3.28Å; I532-E536 WeakPolarHBondContact O-CB 3.47Å; I532-E536 WeakPolarHBondContact O-CG 3.05Å; I532-E536 PolarHBondContact O-N 3.02Å; V534-E536 VanDerWaalsContact C-N 3.26Å; V534-E536 PolarHBondContact O-N 3.3Å; E536-V595 HydrophobicContact CG-CG1 4.3Å; E536-K599 PolarHBondContact O-NZ 3.01Å; E536-K599 WeakPolarHBondContact OE2-CD 3.31Å; E536-K599 IonicContact OE2-NZ 3.44Å; E536-K599 PolarHBondContact OE2-NZ 3.42Å
537	L	91.6	Very high	90.3	Very high	15 Å²	15	25.3 Å²	25.3	8%	0.079	15%	0.145	C	C	.	.	H	α-helix	trans	-116.6	-8.4	-172.7	-57.2	171.4	0	0	0	113.8	L414 T419 M420 L423 L533 N541 S545	L414-L537 HydrophobicContact CD2-CD1 4.3Å; T419-L537 HydrophobicContact CG2-CD2 3.9Å; M420-L537 HydrophobicContact CB-CD1 4.29Å; M420-L537 HydrophobicContact CB-CD2 4.22Å; M420-L537 HydrophobicContact SD-CD1 3.65Å; L423-L537 HydrophobicContact CD1-CD1 4.19Å; L423-L537 HydrophobicContact CD1-CG 4.37Å; L533-L537 HydrophobicContact CD2-CD1 3.89Å; L533-L537 WeakPolarHBondContact O-CA 3.17Å; L533-L537 WeakPolarHBondContact O-CB 3Å; L533-L537 PolarHBondContact O-N 3.44Å; L537-N541 HydrophobicContact CB-CB 4.48Å; L537-N541 PolarHBondContact O-ND2 2.87Å; L537-S545 VanDerWaalsContact CD1-CB 3.49Å
538	G	88.5	Confident	90.3	Very high	30 Å²	30	23.7 Å²	23.7	31%	0.309	13%	0.134	S	C	.	.			trans	87.4	157.7	-179.4	0	0	0	0	0	113.7	V534 Q540 N541	V534-G538 WeakPolarHBondContact O-CA 3.48Å; V534-G538 PolarHBondContact O-N 2.81Å; G538-Q540 VanDerWaalsContact C-N 3.34Å; G538-Q540 PolarHBondContact O-N 3Å; G538-N541 PolarHBondContact O-N 3.42Å
539	L	87.9	Confident	90.2	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.021	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-61.1	-40	-176.8	-169.9	63	0	0	0	113	D338 L348 D350 T365 V534 N541 L542	D338-L539 HydrophobicContact CB-CD1 3.62Å; D338-L539 HydrophobicContact CB-CD2 4.09Å; D338-L539 HydrophobicContact CB-CG 4.17Å; L348-L539 HydrophobicContact CD1-CD1 4.16Å; L348-L539 HydrophobicContact CD1-CD2 4.22Å; L348-L539 HydrophobicContact CD2-CD1 4.36Å; D350-L539 HydrophobicContact CB-CD2 4.19Å; D350-L539 WeakPolarHBondContact OD2-CB 3.35Å; D350-L539 WeakPolarHBondContact OD2-CD2 3.39Å; T365-L539 HydrophobicContact CG2-CD2 3.96Å; V534-L539 HydrophobicContact CG1-CB 4.31Å; V534-L539 HydrophobicContact CG1-CD1 4.16Å; V534-L539 HydrophobicContact CG2-CD1 3.96Å; L539-N541 PolarHBondContact O-N 3.08Å; L539-L542 HydrophobicContact CD1-CD2 4.49Å; L539-L542 WeakPolarHBondContact O-CB 3.19Å; L539-L542 PolarHBondContact O-N 3.05Å
540	Q	82.4	Confident	90	Very high	122 Å²	122	24.3 Å²	24.3	57%	0.57	14%	0.137	S	C	*	.	G	3₁₀ helix	trans	-61.8	-30.5	-175.6	-47.2	-169.9	-17.9	0	0	113	R291 G538	R291-Q540 PolarHBondContact NH1-O 2.76Å; G538-Q540 VanDerWaalsContact C-N 3.34Å; G538-Q540 PolarHBondContact O-N 3Å
541	N	86.8	Confident	89.8	Confident	64 Å²	64	26 Å²	26	34%	0.342	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-94.6	2.7	-178.9	-65.7	-42.7	0	0	0	112.8	L414 L537 G538 L539 T543 N544 S545	L414-N541 HydrophobicContact CD1-CB 4.41Å; L414-N541 HydrophobicContact CD2-CB 4.36Å; L537-N541 HydrophobicContact CB-CB 4.48Å; L537-N541 PolarHBondContact O-ND2 2.87Å; G538-N541 PolarHBondContact O-N 3.42Å; L539-N541 PolarHBondContact O-N 3.08Å; N541-T543 PolarHBondContact O-N 3.21Å; N541-N544 PolarHBondContact O-N 3.03Å; N541-S545 VanDerWaalsContact O-CB 3.22Å; N541-S545 WeakPolarHBondContact O-CB 3.5Å; N541-S545 PolarHBondContact O-N 3.01Å; N541-S545 PolarHBondContact O-OG 3.18Å
542	L	89.2	Confident	89.8	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59	-48.3	-174.1	179.2	58.6	0	0	0	111.8	L340 L533 V534 L539 N544 S545 F546	L340-L542 HydrophobicContact CB-CD2 4.11Å; L340-L542 HydrophobicContact CB-CG 4.26Å; L533-L542 HydrophobicContact CB-CD1 3.86Å; L533-L542 HydrophobicContact CD1-CD1 4.31Å; V534-L542 HydrophobicContact CG2-CB 4.21Å; V534-L542 HydrophobicContact CG2-CD1 3.82Å; V534-L542 HydrophobicContact CG2-CD2 3.71Å; V534-L542 HydrophobicContact CG2-CG 4.11Å; L539-L542 HydrophobicContact CD1-CD2 4.49Å; L539-L542 WeakPolarHBondContact O-CB 3.19Å; L539-L542 PolarHBondContact O-N 3.05Å; L542-N544 PolarHBondContact O-N 2.8Å; L542-S545 WeakPolarHBondContact CA-OG 3.31Å; L542-S545 PolarHBondContact O-N 3.12Å; L542-S545 PolarHBondContact O-OG 2.95Å; L542-S545 VanDerWaalsContact O-OG 3.1Å; L542-F546 HydrophobicContact CD1-CB 4.43Å; L542-F546 WeakPolarHBondContact O-CB 3.48Å; L542-F546 PolarHBondContact O-N 3.27Å
543	T	85	Confident	89.7	Confident	5 Å²	5	28.2 Å²	28.2	3%	0.031	15%	0.153	C	C	.	.	H	α-helix	trans	-59.4	-47	-178.9	-52.6	0	0	0	0	112.4	F334 L340 M409 N541 G547	F334-T543 HydrophobicContact CD1-CG2 3.88Å; F334-T543 HydrophobicContact CE1-CG2 4.29Å; L340-T543 HydrophobicContact CD1-CG2 4.43Å; M409-T543 HydrophobicContact CE-CG2 4.32Å; M409-T543 HydrophobicContact CG-CG2 4.42Å; N541-T543 PolarHBondContact O-N 3.21Å; T543-G547 PolarHBondContact O-N 3.01Å
544	N	85.7	Confident	89.6	Confident	16 Å²	16	28.1 Å²	28.1	9%	0.086	15%	0.152	C	C	.	.	H	α-helix	trans	-67	-51.9	178.8	179.1	17.6	0	0	0	111.5	M409 S411 L414 N541 L542 F546 G547 L548	M409-N544 PolarHBondContact O-OD1 2.69Å; S411-N544 PolarHBondContact O-ND2 3.4Å; S411-N544 PolarHBondContact O-OD1 2.8Å; S411-N544 PolarHBondContact OG-ND2 3.37Å; S411-N544 PolarHBondContact OG-OD1 3.39Å; L414-N544 WeakPolarHBondContact CB-ND2 3.35Å; N541-N544 PolarHBondContact O-N 3.03Å; L542-N544 PolarHBondContact O-N 2.8Å; N544-F546 VanDerWaalsContact C-N 3.34Å; N544-F546 PolarHBondContact O-N 3.48Å; N544-G547 PolarHBondContact O-N 3.04Å; N544-L548 PolarHBondContact O-N 3.06Å; N544-L548 VanDerWaalsContact OD1-CD1 3.26Å; N544-L548 WeakPolarHBondContact OD1-CD1 3.19Å
545	S	91.9	Very high	89.6	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.9	-41.5	-179.2	63.2	0	0	0	0	112.6	L537 N541 L542 L549	L537-S545 VanDerWaalsContact CD1-CB 3.49Å; N541-S545 VanDerWaalsContact O-CB 3.22Å; N541-S545 WeakPolarHBondContact O-CB 3.5Å; N541-S545 PolarHBondContact O-N 3.01Å; N541-S545 PolarHBondContact O-OG 3.18Å; L542-S545 WeakPolarHBondContact CA-OG 3.31Å; L542-S545 PolarHBondContact O-N 3.12Å; L542-S545 PolarHBondContact O-OG 2.95Å; L542-S545 VanDerWaalsContact O-OG 3.1Å; S545-L549 WeakPolarHBondContact O-CB 3.47Å; S545-L549 PolarHBondContact O-N 2.95Å
546	F	90.3	Very high	89.8	Confident	41 Å²	41	26.2 Å²	26.2	18%	0.18	14%	0.144	C	C	.	.	H	α-helix	trans	-66.4	-44.8	177.3	-171.1	-88.5	0	0	0	111.1	L340 T529 L533 L542 N544 L549 M550	L340-F546 HydrophobicContact CD1-CB 4.18Å; L340-F546 HydrophobicContact CD1-CD1 3.84Å; L340-F546 HydrophobicContact CD1-CG 4.16Å; T529-F546 HydrophobicContact CG2-CD2 4.44Å; T529-F546 HydrophobicContact CG2-CE2 4.24Å; L533-F546 HydrophobicContact CD1-CB 3.85Å; L533-F546 HydrophobicContact CD1-CD2 3.89Å; L533-F546 HydrophobicContact CD1-CG 4.34Å; L542-F546 HydrophobicContact CD1-CB 4.43Å; L542-F546 WeakPolarHBondContact O-CB 3.48Å; L542-F546 PolarHBondContact O-N 3.27Å; N544-F546 VanDerWaalsContact C-N 3.34Å; N544-F546 PolarHBondContact O-N 3.48Å; F546-L549 PolarHBondContact O-N 3.21Å; F546-M550 HydrophobicContact CD1-CG 3.8Å; F546-M550 HydrophobicContact CE1-CG 3.54Å; F546-M550 HydrophobicContact CE1-SD 4.09Å; F546-M550 HydrophobicContact CG-CG 4.5Å; F546-M550 HydrophobicContact CZ-CG 4.04Å; F546-M550 HydrophobicContact CZ-SD 4.04Å; F546-M550 WeakPolarHBondContact O-CB 3.36Å; F546-M550 WeakPolarHBondContact O-CG 3.24Å; F546-M550 PolarHBondContact O-N 3.09Å
547	G	88.3	Confident	89.8	Confident	24 Å²	24	24.7 Å²	24.7	25%	0.247	14%	0.137	C	C	.	.	H	α-helix	trans	-59.7	-50.6	177.1	0	0	0	0	0	112.8	T543 N544 L549 M550 L551	T543-G547 PolarHBondContact O-N 3.01Å; N544-G547 PolarHBondContact O-N 3.04Å; G547-L549 VanDerWaalsContact C-N 3.32Å; G547-L549 PolarHBondContact O-N 3.08Å; G547-M550 PolarHBondContact O-N 2.65Å; G547-L551 PolarHBondContact O-N 3.16Å
548	L	90.1	Very high	89.9	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-59.9	-41.9	175.1	-74.5	174.1	0	0	0	111.7	F412 L414 M415 M420 N544 L551 F552	F412-L548 HydrophobicContact CD1-CD2 3.72Å; F412-L548 HydrophobicContact CE1-CD2 3.54Å; F412-L548 HydrophobicContact CZ-CD2 4.27Å; L414-L548 HydrophobicContact CB-CD1 4.36Å; M415-L548 HydrophobicContact CG-CD1 4.29Å; M420-L548 HydrophobicContact CE-CB 3.4Å; M420-L548 HydrophobicContact CE-CD1 3.99Å; M420-L548 HydrophobicContact CE-CG 4.36Å; N544-L548 PolarHBondContact O-N 3.06Å; N544-L548 VanDerWaalsContact OD1-CD1 3.26Å; N544-L548 WeakPolarHBondContact OD1-CD1 3.19Å; L548-L551 WeakPolarHBondContact O-CB 3.32Å; L548-L551 PolarHBondContact O-N 3.28Å; L548-F552 WeakPolarHBondContact O-CD2 3.49Å; L548-F552 PolarHBondContact O-N 2.85Å; L548-F552 VanDerWaalsContact O-N 3.12Å
549	L	91.6	Very high	90.1	Very high	2 Å²	2	27 Å²	27	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-62.4	-46.2	177.7	-165.7	71.8	0	0	0	111.5	N427 T529 L533 S545 F546 G547 L551 F552 R553	N427-L549 HydrophobicContact CB-CD1 3.55Å; N427-L549 HydrophobicContact CB-CG 4.15Å; T529-L549 HydrophobicContact CG2-CD2 3.4Å; T529-L549 VanDerWaalsContact CG2-CD2 3.4Å; L533-L549 HydrophobicContact CD1-CD2 4.03Å; L533-L549 HydrophobicContact CD2-CD2 4.29Å; L533-L549 HydrophobicContact CG-CD2 4.41Å; S545-L549 WeakPolarHBondContact O-CB 3.47Å; S545-L549 PolarHBondContact O-N 2.95Å; F546-L549 PolarHBondContact O-N 3.21Å; G547-L549 VanDerWaalsContact C-N 3.32Å; G547-L549 PolarHBondContact O-N 3.08Å; L549-L551 VanDerWaalsContact C-N 3.29Å; L549-L551 PolarHBondContact O-N 3.44Å; L549-F552 PolarHBondContact O-N 3.33Å; L549-F552 VanDerWaalsContact O-N 3.17Å; L549-R553 HydrophobicContact CG-CG 4.49Å; L549-R553 VanDerWaalsContact O-CG 3.28Å; L549-R553 WeakPolarHBondContact O-CG 3.44Å; L549-R553 PolarHBondContact O-N 2.98Å
550	M	89.8	Confident	90.5	Very high	21 Å²	21	27 Å²	27	10%	0.103	14%	0.141	C	C	.	.	H	α-helix	trans	-61.2	-38	177.9	-70.4	-66.8	-73.4	0	0	111.8	L112 F546 G547 R553 G554	L112-M550 HydrophobicContact CB-CE 4.47Å; L112-M550 HydrophobicContact CD2-CE 3.37Å; L112-M550 HydrophobicContact CD2-SD 4.33Å; F546-M550 HydrophobicContact CD1-CG 3.8Å; F546-M550 HydrophobicContact CE1-CG 3.54Å; F546-M550 HydrophobicContact CE1-SD 4.09Å; F546-M550 HydrophobicContact CG-CG 4.5Å; F546-M550 HydrophobicContact CZ-CG 4.04Å; F546-M550 HydrophobicContact CZ-SD 4.04Å; F546-M550 WeakPolarHBondContact O-CB 3.36Å; F546-M550 WeakPolarHBondContact O-CG 3.24Å; F546-M550 PolarHBondContact O-N 3.09Å; G547-M550 PolarHBondContact O-N 2.65Å; M550-R553 PolarHBondContact O-N 3.33Å; M550-G554 PolarHBondContact O-N 3.16Å
551	L	88.8	Confident	91	Very high	50 Å²	50	21.2 Å²	21.2	26%	0.262	12%	0.115	S	C	.	.	H	α-helix	trans	-56.7	-52.8	171.2	-177.8	76.6	0	0	0	111.1	L113 G547 L548 L549 R553 G554 V555	L113-L551 HydrophobicContact CD2-CD1 3.86Å; L113-L551 HydrophobicContact CD2-CG 4.44Å; L113-L551 WeakPolarHBondContact CD2-O 3.43Å; G547-L551 PolarHBondContact O-N 3.16Å; L548-L551 WeakPolarHBondContact O-CB 3.32Å; L548-L551 PolarHBondContact O-N 3.28Å; L549-L551 VanDerWaalsContact C-N 3.29Å; L549-L551 PolarHBondContact O-N 3.44Å; L551-R553 VanDerWaalsContact C-N 3.35Å; L551-R553 PolarHBondContact O-N 3.37Å; L551-G554 PolarHBondContact O-N 3.21Å; L551-V555 WeakPolarHBondContact O-CG2 3.49Å; L551-V555 PolarHBondContact O-N 3.43Å
552	F	91.8	Very high	91.4	Very high	56 Å²	56	18.3 Å²	18.3	25%	0.246	10%	0.1	C	C	.	.	H	α-helix	trans	-62.3	-41.5	178.1	-74.2	-70.7	0	0	0	112.4	M415 A424 F428 L548 L549 G554 V555 A556	M415-F552 HydrophobicContact CE-CE2 4Å; M415-F552 HydrophobicContact CE-CZ 3.8Å; M415-F552 HydrophobicContact SD-CE2 3.87Å; M415-F552 HydrophobicContact SD-CZ 4.25Å; A424-F552 HydrophobicContact CB-CD2 3.69Å; A424-F552 HydrophobicContact CB-CE2 3.91Å; A424-F552 HydrophobicContact CB-CG 4.24Å; F428-F552 HydrophobicContact CB-CB 4.46Å; F428-F552 HydrophobicContact CD2-CB 4.19Å; F428-F552 HydrophobicContact CD2-CD1 4.13Å; F428-F552 VanDerWaalsContact CD2-O 3.29Å; F428-F552 WeakPolarHBondContact CD2-O 3.41Å; L548-F552 WeakPolarHBondContact O-CD2 3.49Å; L548-F552 PolarHBondContact O-N 2.85Å; L548-F552 VanDerWaalsContact O-N 3.12Å; L549-F552 PolarHBondContact O-N 3.33Å; L549-F552 VanDerWaalsContact O-N 3.17Å; F552-G554 VanDerWaalsContact C-N 3.32Å; F552-G554 PolarHBondContact O-N 2.86Å; F552-V555 PolarHBondContact O-N 3.25Å; F552-A556 VanDerWaalsContact O-CB 3.3Å; F552-A556 WeakPolarHBondContact O-CB 3.48Å; F552-A556 PolarHBondContact O-N 3.49Å
553	R	93.4	Very high	91.7	Very high	12 Å²	12	21.8 Å²	21.8	5%	0.045	12%	0.118	C	C	.	.	H	α-helix	trans	-61.6	-40.8	177.2	-70.8	-175.9	74.3	157.3	5.8	112	L112 N427 M431 T529 L549 M550 L551 A556 S557	L112-R553 HydrophobicContact CD1-CB 4.5Å; N427-R553 HydrophobicContact CB-CG 4Å; M431-R553 HydrophobicContact CB-CB 4.48Å; M431-R553 HydrophobicContact CE-CB 4.47Å; M431-R553 HydrophobicContact CG-CB 3.7Å; M431-R553 HydrophobicContact CG-CG 3.55Å; M431-R553 HydrophobicContact SD-CG 4.46Å; M431-R553 PolarHBondContact SD-NE 2.82Å; M431-R553 PolarHBondContact SD-NH2 3.41Å; T529-R553 PolarHBondContact OG1-NH1 3.4Å; T529-R553 VanDerWaalsContact OG1-NH1 3.12Å; L549-R553 HydrophobicContact CG-CG 4.49Å; L549-R553 VanDerWaalsContact O-CG 3.28Å; L549-R553 WeakPolarHBondContact O-CG 3.44Å; L549-R553 PolarHBondContact O-N 2.98Å; M550-R553 PolarHBondContact O-N 3.33Å; L551-R553 VanDerWaalsContact C-N 3.35Å; L551-R553 PolarHBondContact O-N 3.37Å; R553-A556 PolarHBondContact O-N 3.08Å; R553-S557 PolarHBondContact O-N 3.17Å; R553-S557 PolarHBondContact O-OG 2.94Å
554	G	92.1	Very high	92.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-69.4	-40.1	178.4	0	0	0	0	0	112.9	L113 M550 L551 F552 A556 S557 I558	L113-G554 VanDerWaalsContact CG-C 3.41Å; M550-G554 PolarHBondContact O-N 3.16Å; L551-G554 PolarHBondContact O-N 3.21Å; F552-G554 VanDerWaalsContact C-N 3.32Å; F552-G554 PolarHBondContact O-N 2.86Å; G554-A556 VanDerWaalsContact C-N 3.31Å; G554-A556 PolarHBondContact O-N 2.82Å; G554-S557 PolarHBondContact O-N 3.44Å; G554-S557 PolarHBondContact O-OG 3.45Å; G554-S557 VanDerWaalsContact O-OG 3.04Å; G554-I558 WeakPolarHBondContact O-CG1 3.34Å; G554-I558 PolarHBondContact O-N 2.9Å
555	V	93.3	Very high	92.7	Very high	55 Å²	55	20.8 Å²	20.8	33%	0.333	11%	0.112	S	C	.	.	H	α-helix	trans	-62.7	-45.8	174.5	176.2	0	0	0	0	109.1	L113 F428 L551 F552 S557 I558 I559	L113-V555 HydrophobicContact CD1-CG2 4.45Å; L113-V555 HydrophobicContact CD2-CB 4.36Å; L113-V555 HydrophobicContact CD2-CG2 3.59Å; F428-V555 HydrophobicContact CE2-CB 4.04Å; F428-V555 HydrophobicContact CE2-CG1 3.85Å; F428-V555 HydrophobicContact CZ-CG1 4.41Å; L551-V555 WeakPolarHBondContact O-CG2 3.49Å; L551-V555 PolarHBondContact O-N 3.43Å; F552-V555 PolarHBondContact O-N 3.25Å; V555-S557 PolarHBondContact O-N 3.23Å; V555-I558 PolarHBondContact O-N 3.04Å; V555-I559 HydrophobicContact CG1-CD1 3.81Å; V555-I559 WeakPolarHBondContact O-CG1 3.37Å; V555-I559 PolarHBondContact O-N 2.85Å
556	A	95.4	Very high	92.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58.8	-42.9	178.1	0	0	0	0	0	112.8	F428 M431 I432 F552 R553 G554 I559 G560	F428-A556 HydrophobicContact CD2-CB 3.82Å; F428-A556 HydrophobicContact CE2-CB 4.05Å; F428-A556 HydrophobicContact CG-CB 4.14Å; F428-A556 WeakPolarHBondContact O-CB 3.43Å; M431-A556 HydrophobicContact CB-CB 3.62Å; I432-A556 HydrophobicContact CG1-CB 3.75Å; F552-A556 VanDerWaalsContact O-CB 3.3Å; F552-A556 WeakPolarHBondContact O-CB 3.48Å; F552-A556 PolarHBondContact O-N 3.49Å; R553-A556 PolarHBondContact O-N 3.08Å; G554-A556 VanDerWaalsContact C-N 3.31Å; G554-A556 PolarHBondContact O-N 2.82Å; A556-I559 PolarHBondContact O-N 3.44Å; A556-G560 PolarHBondContact O-N 2.92Å
557	S	92.4	Very high	93.2	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.007	13%	0.129	C	C	.	.	H	α-helix	trans	-72.5	-27.6	-179.1	65.8	0	0	0	0	113.8	G109 Y435 R553 G554 V555 I559	G109-S557 WeakPolarHBondContact CA-OG 3.46Å; Y435-S557 VanDerWaalsContact CE2-CB 3.49Å; R553-S557 PolarHBondContact O-N 3.17Å; R553-S557 PolarHBondContact O-OG 2.94Å; G554-S557 PolarHBondContact O-N 3.44Å; G554-S557 PolarHBondContact O-OG 3.45Å; G554-S557 VanDerWaalsContact O-OG 3.04Å; V555-S557 PolarHBondContact O-N 3.23Å; S557-I559 VanDerWaalsContact C-N 3.32Å
558	I	93.1	Very high	93.5	Very high	27 Å²	27	23.8 Å²	23.8	14%	0.138	13%	0.127	C	C	.	.	H	α-helix	trans	-63.6	-41	169.9	-67	-172.5	0	0	0	110.6	W102 S105 L106 L113 G554 V555 P562	W102-I558 HydrophobicContact CE3-CG2 4.3Å; W102-I558 HydrophobicContact CZ3-CG2 3.65Å; S105-I558 WeakPolarHBondContact CB-O 3.31Å; L106-I558 HydrophobicContact CD2-CD1 4.17Å; L106-I558 HydrophobicContact CD2-CG2 4.19Å; L113-I558 HydrophobicContact CD1-CD1 3.35Å; L113-I558 HydrophobicContact CD1-CG1 4.23Å; L113-I558 HydrophobicContact CG-CD1 4.5Å; G554-I558 WeakPolarHBondContact O-CG1 3.34Å; G554-I558 PolarHBondContact O-N 2.9Å; V555-I558 PolarHBondContact O-N 3.04Å; I558-P562 VanDerWaalsContact O-CD 3.22Å; I558-P562 WeakPolarHBondContact O-CD 3.17Å; I558-P562 WeakPolarHBondContact O-CG 3.25Å
559	I	93.9	Very high	93.7	Very high	67 Å²	67	26.9 Å²	26.9	34%	0.344	14%	0.143	S	C	.	.	H	α-helix	trans	-82.8	-32.5	-173.9	-61.4	168.2	0	0	0	112	V555 A556 S557 P562 L563	V555-I559 HydrophobicContact CG1-CD1 3.81Å; V555-I559 WeakPolarHBondContact O-CG1 3.37Å; V555-I559 PolarHBondContact O-N 2.85Å; A556-I559 PolarHBondContact O-N 3.44Å; S557-I559 VanDerWaalsContact C-N 3.32Å; I559-P562 WeakPolarHBondContact O-CD 3.46Å; I559-L563 HydrophobicContact CG2-CD2 4.33Å; I559-L563 WeakPolarHBondContact O-CB 3.44Å; I559-L563 PolarHBondContact O-N 3.19Å; I559-L563 VanDerWaalsContact O-N 3.12Å
560	G	94.5	Very high	93.9	Very high	2 Å²	2	31 Å²	31	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-58.9	-60.6	-168.7	0	0	0	0	0	115.3	I432 A556 L563 A564	I432-G560 VanDerWaalsContact O-CA 3.3Å; I432-G560 WeakPolarHBondContact O-CA 3.33Å; A556-G560 PolarHBondContact O-N 2.92Å; G560-L563 PolarHBondContact O-N 3.42Å; G560-A564 PolarHBondContact O-N 3.5Å
561	S	93.6	Very high	94.2	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.007	19%	0.19	C	C	.	.	H	α-helix	trans	-64.8	-46.3	-176.9	-20.3	0	0	0	0	112.4	S105 Y440 L563 A564 G565	S105-S561 WeakPolarHBondContact OG-CB 3.3Å; S105-S561 PolarHBondContact OG-OG 3.36Å; Y440-S561 PolarHBondContact OH-O 3.07Å; S561-L563 VanDerWaalsContact C-N 3.26Å; S561-L563 PolarHBondContact O-N 3.43Å; S561-A564 CarbonylContact O-C 3.58Å; S561-A564 WeakPolarHBondContact O-CB 3.49Å; S561-A564 PolarHBondContact O-N 2.87Å; S561-A564 VanDerWaalsContact O-N 3.09Å; S561-G565 PolarHBondContact O-N 3.33Å
562	P	95	Very high	94.3	Very high	4 Å²	4	34.2 Å²	34.2	3%	0.026	21%	0.208	C	C	.	.	H	α-helix	trans	-62.9	-35.3	-179.5	-22.4	37	0	0	0	111.8	V98 W102 S105 I558 I559 G565 A566	V98-P562 HydrophobicContact CG1-CB 4.43Å; W102-P562 HydrophobicContact CD2-CB 4Å; W102-P562 HydrophobicContact CD2-CG 3.78Å; W102-P562 HydrophobicContact CE3-CG 4.03Å; W102-P562 HydrophobicContact CG-CB 4.26Å; W102-P562 HydrophobicContact CG-CG 4.09Å; W102-P562 HydrophobicContact CZ2-CB 4.07Å; W102-P562 HydrophobicContact CZ2-CG 4.43Å; W102-P562 HydrophobicContact CZ3-CG 4.47Å; S105-P562 VanDerWaalsContact OG-CD 3.23Å; S105-P562 WeakPolarHBondContact OG-CD 3.22Å; I558-P562 VanDerWaalsContact O-CD 3.22Å; I558-P562 WeakPolarHBondContact O-CD 3.17Å; I558-P562 WeakPolarHBondContact O-CG 3.25Å; I559-P562 WeakPolarHBondContact O-CD 3.46Å; P562-G565 PolarHBondContact O-N 2.82Å; P562-A566 WeakPolarHBondContact O-CB 3.35Å; P562-A566 PolarHBondContact O-N 2.78Å
563	L	96	Very high	94.3	Very high	72 Å²	72	34 Å²	34	38%	0.377	21%	0.214	S	C	.	.	H	α-helix	trans	-66.9	-39.8	174.9	-174.6	54.2	0	0	0	112.2	I559 G560 S561 A566 L567 F580	I559-L563 HydrophobicContact CG2-CD2 4.33Å; I559-L563 WeakPolarHBondContact O-CB 3.44Å; I559-L563 PolarHBondContact O-N 3.19Å; I559-L563 VanDerWaalsContact O-N 3.12Å; G560-L563 PolarHBondContact O-N 3.42Å; S561-L563 VanDerWaalsContact C-N 3.26Å; S561-L563 PolarHBondContact O-N 3.43Å; L563-A566 PolarHBondContact O-N 3.42Å; L563-L567 PolarHBondContact O-N 2.99Å; L563-L567 VanDerWaalsContact O-N 3.16Å; L563-F580 HydrophobicContact CB-CE1 4.45Å; L563-F580 HydrophobicContact CB-CZ 4.46Å; L563-F580 HydrophobicContact CD2-CE1 4.11Å; L563-F580 HydrophobicContact CD2-CE2 4Å; L563-F580 HydrophobicContact CD2-CZ 3.34Å; L563-F580 HydrophobicContact CG-CE1 4.02Å; L563-F580 HydrophobicContact CG-CE2 4.36Å; L563-F580 HydrophobicContact CG-CZ 3.68Å
564	A	96.2	Very high	94.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66.2	-37.9	172.8	0	0	0	0	0	112.4	V436 Y440 G560 S561 A566 L567 F568 S577	V436-A564 HydrophobicContact CB-CB 4.49Å; V436-A564 HydrophobicContact CG1-CB 4.08Å; V436-A564 HydrophobicContact CG2-CB 3.6Å; Y440-A564 HydrophobicContact CD2-CB 4.36Å; Y440-A564 HydrophobicContact CE2-CB 3.75Å; G560-A564 PolarHBondContact O-N 3.5Å; S561-A564 CarbonylContact O-C 3.58Å; S561-A564 WeakPolarHBondContact O-CB 3.49Å; S561-A564 PolarHBondContact O-N 2.87Å; S561-A564 VanDerWaalsContact O-N 3.09Å; A564-A566 VanDerWaalsContact C-N 3.31Å; A564-A566 PolarHBondContact O-N 2.72Å; A564-L567 PolarHBondContact O-N 3.13Å; A564-F568 PolarHBondContact O-N 3.06Å; A564-S577 WeakPolarHBondContact O-CB 3.31Å; A564-S577 PolarHBondContact O-OG 2.86Å
565	G	94.7	Very high	94.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.4	-37.3	170.2	0	0	0	0	0	112.4	Y440 S561 P562 L567 F568 D569	Y440-G565 WeakPolarHBondContact OH-CA 3.47Å; Y440-G565 PolarHBondContact OH-N 3.32Å; S561-G565 PolarHBondContact O-N 3.33Å; P562-G565 PolarHBondContact O-N 2.82Å; G565-L567 VanDerWaalsContact C-N 3.31Å; G565-L567 PolarHBondContact O-N 3.45Å; G565-F568 WeakPolarHBondContact O-CA 3.48Å; G565-F568 WeakPolarHBondContact O-CB 3.47Å; G565-F568 PolarHBondContact O-N 3.28Å; G565-F568 VanDerWaalsContact O-N 3.07Å; G565-D569 PolarHBondContact O-N 2.67Å
566	A	96.6	Very high	94.6	Very high	36 Å²	36	36.9 Å²	36.9	30%	0.298	23%	0.226	S	C	.	.	H	α-helix	trans	-69.2	-34.3	-178.9	0	0	0	0	0	111.7	V98 P562 L563 A564 F568 S570	V98-A566 HydrophobicContact CG2-CB 3.46Å; V98-A566 VanDerWaalsContact CG2-CB 3.46Å; P562-A566 WeakPolarHBondContact O-CB 3.35Å; P562-A566 PolarHBondContact O-N 2.78Å; L563-A566 PolarHBondContact O-N 3.42Å; A564-A566 VanDerWaalsContact C-N 3.31Å; A564-A566 PolarHBondContact O-N 2.72Å; A566-F568 VanDerWaalsContact C-N 3.35Å; A566-S570 VanDerWaalsContact O-CB 3.31Å; A566-S570 WeakPolarHBondContact O-CB 3.22Å; A566-S570 PolarHBondContact O-N 2.91Å; A566-S570 PolarHBondContact O-OG 3.19Å
567	L	96.8	Very high	94.6	Very high	46 Å²	46	36.9 Å²	36.9	24%	0.241	23%	0.226	C	C	.	.	H	α-helix	trans	-63.7	-42.8	170.2	-68	171.5	0	0	0	111	L563 A564 G565 S570 T571 A576 F580	L563-L567 PolarHBondContact O-N 2.99Å; L563-L567 VanDerWaalsContact O-N 3.16Å; A564-L567 PolarHBondContact O-N 3.13Å; G565-L567 VanDerWaalsContact C-N 3.31Å; G565-L567 PolarHBondContact O-N 3.45Å; L567-S570 WeakPolarHBondContact CA-OG 3.29Å; L567-S570 PolarHBondContact O-N 3.37Å; L567-S570 PolarHBondContact O-OG 3.17Å; L567-S570 VanDerWaalsContact O-OG 3.08Å; L567-T571 PolarHBondContact O-N 2.89Å; L567-T571 PolarHBondContact O-OG1 3.43Å; L567-A576 HydrophobicContact CB-CB 4.09Å; L567-F580 HydrophobicContact CD1-CB 3.32Å; L567-F580 HydrophobicContact CD1-CD1 3.73Å; L567-F580 HydrophobicContact CD1-CD2 3.91Å; L567-F580 HydrophobicContact CD1-CG 3.37Å
568	F	95.2	Very high	94.9	Very high	47 Å²	47	36.9 Å²	36.9	21%	0.206	23%	0.226	C	C	.	.	H	α-helix	trans	-61.7	-49.4	175	173.7	-93.3	0	0	0	111.9	V97 A564 G565 A566 S570 T571 G572 F574 S577	V97-F568 HydrophobicContact CB-CD1 3.97Å; V97-F568 HydrophobicContact CB-CE1 4.49Å; V97-F568 HydrophobicContact CG1-CD1 4.42Å; V97-F568 HydrophobicContact CG2-CD1 3.54Å; V97-F568 HydrophobicContact CG2-CE1 3.57Å; A564-F568 PolarHBondContact O-N 3.06Å; G565-F568 WeakPolarHBondContact O-CA 3.48Å; G565-F568 WeakPolarHBondContact O-CB 3.47Å; G565-F568 PolarHBondContact O-N 3.28Å; G565-F568 VanDerWaalsContact O-N 3.07Å; A566-F568 VanDerWaalsContact C-N 3.35Å; F568-S570 VanDerWaalsContact C-N 3.27Å; F568-S570 PolarHBondContact O-N 2.85Å; F568-T571 PolarHBondContact O-N 3.33Å; F568-G572 WeakPolarHBondContact O-CA 3.36Å; F568-G572 PolarHBondContact O-N 3.16Å; F568-F574 HydrophobicContact CB-CD1 4.33Å; F568-F574 HydrophobicContact CB-CE1 4.31Å; F568-F574 HydrophobicContact CD2-CB 4.46Å; F568-F574 AromaticContact CD2-CD1 3.56Å; F568-F574 HydrophobicContact CD2-CD1 3.56Å; F568-F574 AromaticContact CD2-CD2 3.78Å; F568-F574 HydrophobicContact CD2-CD2 3.78Å; F568-F574 AromaticContact CD2-CE1 3.54Å; F568-F574 HydrophobicContact CD2-CE1 3.54Å; F568-F574 AromaticContact CD2-CE2 3.79Å; F568-F574 HydrophobicContact CD2-CE2 3.79Å; F568-F574 AromaticContact CD2-CG 3.67Å; F568-F574 HydrophobicContact CD2-CG 3.67Å; F568-F574 AromaticContact CD2-CZ 3.66Å; F568-F574 HydrophobicContact CD2-CZ 3.66Å; F568-F574 HydrophobicContact CE2-CD1 4.2Å; F568-F574 AromaticContact CE2-CD2 3.61Å; F568-F574 HydrophobicContact CE2-CD2 3.61Å; F568-F574 AromaticContact CE2-CE1 3.98Å; F568-F574 HydrophobicContact CE2-CE1 3.98Å; F568-F574 AromaticContact CE2-CE2 3.38Å; F568-F574 HydrophobicContact CE2-CE2 3.38Å; F568-F574 HydrophobicContact CE2-CG 4.02Å; F568-F574 AromaticContact CE2-CZ 3.58Å; F568-F574 HydrophobicContact CE2-CZ 3.58Å; F568-F574 HydrophobicContact CG-CD1 4.15Å; F568-F574 AromaticContact CG-CE1 3.88Å; F568-F574 HydrophobicContact CG-CE1 3.88Å; F568-F574 HydrophobicContact CG-CZ 4.2Å; F568-F574 HydrophobicContact CZ-CE2 4.05Å; F568-F574 HydrophobicContact CZ-CZ 4.04Å; F568-S577 PolarHBondContact N-OG 3.34Å
569	D	94.6	Very high	95.1	Very high	65 Å²	65	38.1 Å²	38.1	35%	0.348	23%	0.233	S	C	.	.	H	α-helix	trans	-64.4	-32.2	-177.9	-69.9	-26.7	0	0	0	112.1	S96 V97 V98 G565	S96-D569 WeakPolarHBondContact CB-OD2 3.44Å; V97-D569 WeakPolarHBondContact CB-OD1 3.13Å; V97-D569 PolarHBondContact N-OD1 3.48Å; V97-D569 PolarHBondContact N-OD2 3.37Å; V98-D569 WeakPolarHBondContact CG2-OD2 3.11Å; V98-D569 PolarHBondContact N-OD2 3.04Å; G565-D569 PolarHBondContact O-N 2.67Å
570	S	94.9	Very high	95.3	Very high	90 Å²	90	37.3 Å²	37.3	63%	0.629	23%	0.227	S	C	*	.	H	α-helix	trans	-81.8	-36.8	178.7	59.9	0	0	0	0	114.2	A566 L567 F568	A566-S570 VanDerWaalsContact O-CB 3.31Å; A566-S570 WeakPolarHBondContact O-CB 3.22Å; A566-S570 PolarHBondContact O-N 2.91Å; A566-S570 PolarHBondContact O-OG 3.19Å; L567-S570 WeakPolarHBondContact CA-OG 3.29Å; L567-S570 PolarHBondContact O-N 3.37Å; L567-S570 PolarHBondContact O-OG 3.17Å; L567-S570 VanDerWaalsContact O-OG 3.08Å; F568-S570 VanDerWaalsContact C-N 3.27Å; F568-S570 PolarHBondContact O-N 2.85Å
571	T	95.6	Very high	95.4	Very high	77 Å²	77	37.2 Å²	37.2	47%	0.472	23%	0.226	S	C	.	.	H	α-helix	trans	-99.1	-11.8	-178.2	69	0	0	0	0	113.7	L567 F568 S573 A576	L567-T571 PolarHBondContact O-N 2.89Å; L567-T571 PolarHBondContact O-OG1 3.43Å; F568-T571 PolarHBondContact O-N 3.33Å; T571-S573 PolarHBondContact O-N 3.44Å; T571-S573 PolarHBondContact OG1-N 3.45Å; T571-S573 PolarHBondContact OG1-O 3.14Å; T571-A576 HydrophobicContact CG2-CB 3.93Å
572	G	90.8	Very high	95.7	Very high	61 Å²	61	37.2 Å²	37.2	63%	0.629	23%	0.226	S	C	*	.	S	Bend	trans	65.9	17.6	-172.3	0	0	0	0	0	114.1	F568	F568-G572 WeakPolarHBondContact O-CA 3.36Å; F568-G572 PolarHBondContact O-N 3.16Å
573	S	91.8	Very high	95.8	Very high	52 Å²	52	40.4 Å²	40.4	36%	0.364	25%	0.245	S	C	.	.	S	Bend	trans	-146.9	133.7	-172.6	-177.5	0	0	0	0	112	T571 F575	T571-S573 PolarHBondContact O-N 3.44Å; T571-S573 PolarHBondContact OG1-N 3.45Å; T571-S573 PolarHBondContact OG1-O 3.14Å; S573-F575 PolarHBondContact O-N 3.05Å; S573-F575 VanDerWaalsContact O-N 3.17Å; S573-F575 VanDerWaalsContact OG-CB 3.31Å; S573-F575 WeakPolarHBondContact OG-CB 3.36Å; S573-F575 PolarHBondContact OG-N 2.92Å
574	F	94.2	Very high	95.9	Very high	15 Å²	15	38 Å²	38	7%	0.066	23%	0.233	C	C	.	.	H	α-helix	trans	-66.3	-13.1	173.2	-71.8	-67.7	0	0	0	112.8	Y440 A443 Y444 F568 A576 S577 F578	Y440-F574 HydrophobicContact CD1-CD1 4.2Å; Y440-F574 AromaticContact CD1-CE1 3.56Å; Y440-F574 HydrophobicContact CD1-CE1 3.56Å; Y440-F574 HydrophobicContact CD1-CZ 4.49Å; Y440-F574 HydrophobicContact CE1-CE1 4.3Å; Y440-F574 HydrophobicContact CG-CD1 4.41Å; Y440-F574 HydrophobicContact CG-CE1 4.19Å; A443-F574 HydrophobicContact CB-CE1 4.49Å; A443-F574 HydrophobicContact CB-CE2 4.29Å; A443-F574 HydrophobicContact CB-CZ 3.81Å; Y444-F574 HydrophobicContact CD2-CB 3.74Å; Y444-F574 AromaticContact CD2-CD2 3.95Å; Y444-F574 HydrophobicContact CD2-CD2 3.95Å; Y444-F574 HydrophobicContact CD2-CG 4.19Å; Y444-F574 HydrophobicContact CE2-CB 4.44Å; Y444-F574 HydrophobicContact CG-CB 4.5Å; F568-F574 HydrophobicContact CB-CD1 4.33Å; F568-F574 HydrophobicContact CB-CE1 4.31Å; F568-F574 HydrophobicContact CD2-CB 4.46Å; F568-F574 AromaticContact CD2-CD1 3.56Å; F568-F574 HydrophobicContact CD2-CD1 3.56Å; F568-F574 AromaticContact CD2-CD2 3.78Å; F568-F574 HydrophobicContact CD2-CD2 3.78Å; F568-F574 AromaticContact CD2-CE1 3.54Å; F568-F574 HydrophobicContact CD2-CE1 3.54Å; F568-F574 AromaticContact CD2-CE2 3.79Å; F568-F574 HydrophobicContact CD2-CE2 3.79Å; F568-F574 AromaticContact CD2-CG 3.67Å; F568-F574 HydrophobicContact CD2-CG 3.67Å; F568-F574 AromaticContact CD2-CZ 3.66Å; F568-F574 HydrophobicContact CD2-CZ 3.66Å; F568-F574 HydrophobicContact CE2-CD1 4.2Å; F568-F574 AromaticContact CE2-CD2 3.61Å; F568-F574 HydrophobicContact CE2-CD2 3.61Å; F568-F574 AromaticContact CE2-CE1 3.98Å; F568-F574 HydrophobicContact CE2-CE1 3.98Å; F568-F574 AromaticContact CE2-CE2 3.38Å; F568-F574 HydrophobicContact CE2-CE2 3.38Å; F568-F574 HydrophobicContact CE2-CG 4.02Å; F568-F574 AromaticContact CE2-CZ 3.58Å; F568-F574 HydrophobicContact CE2-CZ 3.58Å; F568-F574 HydrophobicContact CG-CD1 4.15Å; F568-F574 AromaticContact CG-CE1 3.88Å; F568-F574 HydrophobicContact CG-CE1 3.88Å; F568-F574 HydrophobicContact CG-CZ 4.2Å; F568-F574 HydrophobicContact CZ-CE2 4.05Å; F568-F574 HydrophobicContact CZ-CZ 4.04Å; F574-A576 VanDerWaalsContact C-N 3.31Å; F574-A576 PolarHBondContact O-N 3.3Å; F574-S577 WeakPolarHBondContact O-CB 3.4Å; F574-S577 PolarHBondContact O-N 3.3Å; F574-F578 HydrophobicContact CB-CD2 4.04Å; F574-F578 HydrophobicContact CB-CE2 4.13Å; F574-F578 VanDerWaalsContact O-CD2 3.32Å; F574-F578 WeakPolarHBondContact O-CD2 3.47Å; F574-F578 PolarHBondContact O-N 3.34Å
575	F	95.3	Very high	96	Very high	88 Å²	88	38 Å²	38	39%	0.386	23%	0.233	S	C	.	.	H	α-helix	trans	-52.6	-49.8	176.4	-175.4	-86.5	0	0	0	111.5	P503 F504 S573 S577 F578 I579	P503-F575 HydrophobicContact CB-CB 4.3Å; P503-F575 HydrophobicContact CB-CD2 3.43Å; P503-F575 VanDerWaalsContact CB-CD2 3.43Å; P503-F575 HydrophobicContact CB-CE2 4.07Å; P503-F575 HydrophobicContact CB-CG 4.18Å; P503-F575 HydrophobicContact CG-CD2 4.14Å; F504-F575 HydrophobicContact CE1-CE2 4.05Å; F504-F575 HydrophobicContact CE2-CE2 4.05Å; F504-F575 AromaticContact CZ-CE2 3.62Å; F504-F575 HydrophobicContact CZ-CE2 3.62Å; F504-F575 HydrophobicContact CZ-CZ 4.02Å; S573-F575 PolarHBondContact O-N 3.05Å; S573-F575 VanDerWaalsContact O-N 3.17Å; S573-F575 VanDerWaalsContact OG-CB 3.31Å; S573-F575 WeakPolarHBondContact OG-CB 3.36Å; S573-F575 PolarHBondContact OG-N 2.92Å; F575-S577 PolarHBondContact O-N 3.24Å; F575-F578 PolarHBondContact O-N 3.4Å; F575-I579 HydrophobicContact CD1-CG1 3.96Å; F575-I579 HydrophobicContact CE1-CD1 4.34Å; F575-I579 HydrophobicContact CE1-CG1 3.64Å; F575-I579 HydrophobicContact CE2-CG1 4.42Å; F575-I579 HydrophobicContact CG-CG1 4.49Å; F575-I579 HydrophobicContact CZ-CD1 4.1Å; F575-I579 HydrophobicContact CZ-CG1 3.88Å; F575-I579 WeakPolarHBondContact O-CB 3.38Å; F575-I579 VanDerWaalsContact O-CG1 3.22Å; F575-I579 WeakPolarHBondContact O-CG1 3.45Å; F575-I579 PolarHBondContact O-N 3.02Å
576	A	95.5	Very high	96.2	Very high	24 Å²	24	40.2 Å²	40.2	20%	0.198	24%	0.244	C	C	.	.	H	α-helix	trans	-62.9	-42.2	179.9	0	0	0	0	0	111.8	L567 T571 F574 F580	L567-A576 HydrophobicContact CB-CB 4.09Å; T571-A576 HydrophobicContact CG2-CB 3.93Å; F574-A576 VanDerWaalsContact C-N 3.31Å; F574-A576 PolarHBondContact O-N 3.3Å; A576-F580 WeakPolarHBondContact O-CB 3.2Å; A576-F580 PolarHBondContact O-N 3.44Å
577	S	96.4	Very high	96.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.3	-45.5	179.4	-48.9	0	0	0	0	112.8	A564 F568 F574 F575 A581	A564-S577 WeakPolarHBondContact O-CB 3.31Å; A564-S577 PolarHBondContact O-OG 2.86Å; F568-S577 PolarHBondContact N-OG 3.34Å; F574-S577 WeakPolarHBondContact O-CB 3.4Å; F574-S577 PolarHBondContact O-N 3.3Å; F575-S577 PolarHBondContact O-N 3.24Å; S577-A581 WeakPolarHBondContact O-CB 3.24Å; S577-A581 PolarHBondContact O-N 2.94Å
578	F	97.9	Very high	96.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-75.5	-38.3	-179.7	-82.9	-75	0	0	0	113	V436 P437 Y444 T499 F502 P503 F574 F575 F580 A581 G582	V436-F578 HydrophobicContact CG1-CD1 4.46Å; V436-F578 HydrophobicContact CG1-CE1 4.49Å; P437-F578 HydrophobicContact CG-CE1 4.43Å; Y444-F578 HydrophobicContact CG-CE2 4.41Å; T499-F578 HydrophobicContact CG2-CD1 4Å; F502-F578 HydrophobicContact CB-CD1 4.17Å; F502-F578 HydrophobicContact CB-CE1 4.5Å; F502-F578 AromaticContact CD1-CD1 3.66Å; F502-F578 HydrophobicContact CD1-CD1 3.66Å; F502-F578 AromaticContact CD1-CD2 3.88Å; F502-F578 HydrophobicContact CD1-CD2 3.88Å; F502-F578 AromaticContact CD1-CE1 3.34Å; F502-F578 HydrophobicContact CD1-CE1 3.34Å; F502-F578 AromaticContact CD1-CE2 3.6Å; F502-F578 HydrophobicContact CD1-CE2 3.6Å; F502-F578 AromaticContact CD1-CG 3.93Å; F502-F578 HydrophobicContact CD1-CG 3.93Å; F502-F578 AromaticContact CD1-CZ 3.32Å; F502-F578 HydrophobicContact CD1-CZ 3.32Å; F502-F578 HydrophobicContact CE1-CD2 4.43Å; F502-F578 AromaticContact CE1-CE1 3.84Å; F502-F578 HydrophobicContact CE1-CE1 3.84Å; F502-F578 AromaticContact CE1-CE2 3.73Å; F502-F578 HydrophobicContact CE1-CE2 3.73Å; F502-F578 AromaticContact CE1-CZ 3.39Å; F502-F578 HydrophobicContact CE1-CZ 3.39Å; F502-F578 HydrophobicContact CG-CD1 4.3Å; F502-F578 HydrophobicContact CG-CE1 4.17Å; P503-F578 HydrophobicContact CG-CB 3.45Å; P503-F578 VanDerWaalsContact CG-CB 3.45Å; P503-F578 HydrophobicContact CG-CD2 4.35Å; P503-F578 HydrophobicContact CG-CG 4.15Å; F574-F578 HydrophobicContact CB-CD2 4.04Å; F574-F578 HydrophobicContact CB-CE2 4.13Å; F574-F578 VanDerWaalsContact O-CD2 3.32Å; F574-F578 WeakPolarHBondContact O-CD2 3.47Å; F574-F578 PolarHBondContact O-N 3.34Å; F575-F578 PolarHBondContact O-N 3.4Å; F578-F580 VanDerWaalsContact C-N 3.34Å; F578-A581 PolarHBondContact O-N 3.04Å; F578-G582 PolarHBondContact O-N 3.24Å
579	I	97.8	Very high	96.4	Very high	54 Å²	54	37.9 Å²	37.9	28%	0.277	23%	0.228	S	C	.	.	H	α-helix	trans	-62.2	-45.5	173.5	-67.6	-67.7	0	0	0	110.3	A500 F575 A581 G582 V583	A500-I579 HydrophobicContact CB-CD1 4.17Å; A500-I579 WeakPolarHBondContact O-CD1 3.43Å; F575-I579 HydrophobicContact CD1-CG1 3.96Å; F575-I579 HydrophobicContact CE1-CD1 4.34Å; F575-I579 HydrophobicContact CE1-CG1 3.64Å; F575-I579 HydrophobicContact CE2-CG1 4.42Å; F575-I579 HydrophobicContact CG-CG1 4.49Å; F575-I579 HydrophobicContact CZ-CD1 4.1Å; F575-I579 HydrophobicContact CZ-CG1 3.88Å; F575-I579 WeakPolarHBondContact O-CB 3.38Å; F575-I579 VanDerWaalsContact O-CG1 3.22Å; F575-I579 WeakPolarHBondContact O-CG1 3.45Å; F575-I579 PolarHBondContact O-N 3.02Å; I579-A581 PolarHBondContact O-N 3.3Å; I579-G582 PolarHBondContact O-N 3.17Å; I579-V583 HydrophobicContact CG2-CG2 4.37Å; I579-V583 WeakPolarHBondContact O-CB 3Å; I579-V583 VanDerWaalsContact O-CG2 3.29Å; I579-V583 WeakPolarHBondContact O-CG2 3.48Å; I579-V583 PolarHBondContact O-N 3.06Å
580	F	97.2	Very high	96.6	Very high	50 Å²	50	39.3 Å²	39.3	22%	0.219	24%	0.235	C	C	.	.	H	α-helix	trans	-55.3	-51.6	174.7	165.5	-102.1	0	0	0	112	I432 L563 L567 A576 F578 G582 V583 L584	I432-F580 HydrophobicContact CG2-CE1 4.02Å; I432-F580 HydrophobicContact CG2-CZ 3.89Å; L563-F580 HydrophobicContact CB-CE1 4.45Å; L563-F580 HydrophobicContact CB-CZ 4.46Å; L563-F580 HydrophobicContact CD2-CE1 4.11Å; L563-F580 HydrophobicContact CD2-CE2 4Å; L563-F580 HydrophobicContact CD2-CZ 3.34Å; L563-F580 HydrophobicContact CG-CE1 4.02Å; L563-F580 HydrophobicContact CG-CE2 4.36Å; L563-F580 HydrophobicContact CG-CZ 3.68Å; L567-F580 HydrophobicContact CD1-CB 3.32Å; L567-F580 HydrophobicContact CD1-CD1 3.73Å; L567-F580 HydrophobicContact CD1-CD2 3.91Å; L567-F580 HydrophobicContact CD1-CG 3.37Å; A576-F580 WeakPolarHBondContact O-CB 3.2Å; A576-F580 PolarHBondContact O-N 3.44Å; F578-F580 VanDerWaalsContact C-N 3.34Å; F580-G582 PolarHBondContact O-N 3.13Å; F580-V583 PolarHBondContact O-N 3.03Å; F580-L584 HydrophobicContact CD1-CD1 4.3Å; F580-L584 HydrophobicContact CD2-CD1 4.15Å; F580-L584 HydrophobicContact CE1-CD1 3.68Å; F580-L584 HydrophobicContact CE2-CD1 3.51Å; F580-L584 HydrophobicContact CE2-CG 4.21Å; F580-L584 HydrophobicContact CZ-CD1 3.22Å; F580-L584 HydrophobicContact CZ-CG 4.36Å; F580-L584 WeakPolarHBondContact O-CG 3.48Å; F580-L584 PolarHBondContact O-N 3.15Å; F580-L584 VanDerWaalsContact O-N 3.13Å
581	A	98	Very high	96.6	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.9	-44.9	178.5	0	0	0	0	0	112.3	V436 T499 S577 F578 I579 V583 L584 I585	V436-A581 HydrophobicContact CB-CB 3.67Å; V436-A581 HydrophobicContact CG1-CB 3.71Å; V436-A581 HydrophobicContact CG2-CB 3.86Å; T499-A581 HydrophobicContact CG2-CB 3.91Å; S577-A581 WeakPolarHBondContact O-CB 3.24Å; S577-A581 PolarHBondContact O-N 2.94Å; F578-A581 PolarHBondContact O-N 3.04Å; I579-A581 PolarHBondContact O-N 3.3Å; A581-V583 PolarHBondContact O-N 3.09Å; A581-L584 PolarHBondContact O-N 3.14Å; A581-I585 VanDerWaalsContact O-CG1 3.26Å; A581-I585 WeakPolarHBondContact O-CG1 3.36Å; A581-I585 PolarHBondContact O-N 2.9Å
582	G	98.3	Very high	96.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.8	-44.7	179	0	0	0	0	0	112.8	G496 F578 I579 F580 L584 I585 I586	G496-G582 WeakPolarHBondContact CA-O 3.41Å; G496-G582 WeakPolarHBondContact O-CA 3.34Å; F578-G582 PolarHBondContact O-N 3.24Å; I579-G582 PolarHBondContact O-N 3.17Å; F580-G582 PolarHBondContact O-N 3.13Å; G582-L584 PolarHBondContact O-N 3.42Å; G582-I585 PolarHBondContact O-N 3.36Å; G582-I586 VanDerWaalsContact O-CG1 3.3Å; G582-I586 WeakPolarHBondContact O-CG1 3.07Å; G582-I586 PolarHBondContact O-N 3.3Å
583	V	98.3	Very high	96.7	Very high	72 Å²	72	30.3 Å²	30.3	44%	0.436	17%	0.166	S	C	.	.	H	α-helix	trans	-60.1	-44.9	176	169.6	0	0	0	0	111.2	I579 F580 A581 I586 L587	I579-V583 HydrophobicContact CG2-CG2 4.37Å; I579-V583 WeakPolarHBondContact O-CB 3Å; I579-V583 VanDerWaalsContact O-CG2 3.29Å; I579-V583 WeakPolarHBondContact O-CG2 3.48Å; I579-V583 PolarHBondContact O-N 3.06Å; F580-V583 PolarHBondContact O-N 3.03Å; A581-V583 PolarHBondContact O-N 3.09Å; V583-I586 PolarHBondContact O-N 3.45Å; V583-L587 HydrophobicContact CG1-CD1 4.02Å; V583-L587 HydrophobicContact CG1-CG 4.39Å; V583-L587 VanDerWaalsContact O-CG 3.32Å; V583-L587 WeakPolarHBondContact O-CG 3.14Å; V583-L587 PolarHBondContact O-N 3.12Å
584	L	98	Very high	96.8	Very high	22 Å²	22	29.2 Å²	29.2	12%	0.115	16%	0.16	C	C	.	.	H	α-helix	trans	-65.2	-39.8	178.8	-71.9	176.9	0	0	0	113.1	L429 I432 F580 A581 G582 I586 L587 S588	L429-L584 HydrophobicContact CD2-CD2 3.9Å; I432-L584 HydrophobicContact CB-CD1 3.9Å; I432-L584 HydrophobicContact CG2-CD1 3.32Å; F580-L584 HydrophobicContact CD1-CD1 4.3Å; F580-L584 HydrophobicContact CD2-CD1 4.15Å; F580-L584 HydrophobicContact CE1-CD1 3.68Å; F580-L584 HydrophobicContact CE2-CD1 3.51Å; F580-L584 HydrophobicContact CE2-CG 4.21Å; F580-L584 HydrophobicContact CZ-CD1 3.22Å; F580-L584 HydrophobicContact CZ-CG 4.36Å; F580-L584 WeakPolarHBondContact O-CG 3.48Å; F580-L584 PolarHBondContact O-N 3.15Å; F580-L584 VanDerWaalsContact O-N 3.13Å; A581-L584 PolarHBondContact O-N 3.14Å; G582-L584 PolarHBondContact O-N 3.42Å; L584-I586 VanDerWaalsContact C-N 3.33Å; L584-L587 PolarHBondContact O-N 3.27Å; L584-S588 WeakPolarHBondContact O-CB 3.43Å; L584-S588 PolarHBondContact O-N 3.31Å
585	I	98.3	Very high	96.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-65.6	-37.9	175.1	-64	167.1	0	0	0	110.5	L492 C495 T499 A581 G582 S588 G589	L492-I585 HydrophobicContact CB-CG2 4.38Å; L492-I585 HydrophobicContact CD2-CG2 3.95Å; L492-I585 WeakPolarHBondContact O-CG2 3.32Å; C495-I585 HydrophobicContact CB-CG2 4.21Å; T499-I585 HydrophobicContact CG2-CD1 4.43Å; A581-I585 VanDerWaalsContact O-CG1 3.26Å; A581-I585 WeakPolarHBondContact O-CG1 3.36Å; A581-I585 PolarHBondContact O-N 2.9Å; G582-I585 PolarHBondContact O-N 3.36Å; I585-S588 VanDerWaalsContact O-CB 3.29Å; I585-S588 WeakPolarHBondContact O-CB 3.33Å; I585-S588 PolarHBondContact O-N 2.78Å; I585-G589 PolarHBondContact O-N 2.92Å
586	I	98.6	Very high	96.5	Very high	45 Å²	45	25.7 Å²	25.7	23%	0.231	15%	0.147	C	C	.	.	H	α-helix	trans	-63.4	-48.2	173.5	-69.1	166.8	0	0	0	110.5	L493 V497 G582 V583 L584 S588 G589 L590	L493-I586 HydrophobicContact CD2-CG2 4.03Å; L493-I586 WeakPolarHBondContact CD2-O 3.46Å; V497-I586 HydrophobicContact CG2-CD1 4Å; V497-I586 HydrophobicContact CG2-CG1 4.44Å; G582-I586 VanDerWaalsContact O-CG1 3.3Å; G582-I586 WeakPolarHBondContact O-CG1 3.07Å; G582-I586 PolarHBondContact O-N 3.3Å; V583-I586 PolarHBondContact O-N 3.45Å; L584-I586 VanDerWaalsContact C-N 3.33Å; I586-S588 PolarHBondContact O-N 3.33Å; I586-G589 PolarHBondContact O-N 3.39Å; I586-G589 VanDerWaalsContact O-N 3.11Å; I586-L590 HydrophobicContact CG2-CD1 3.93Å; I586-L590 HydrophobicContact CG2-CG 4.22Å; I586-L590 WeakPolarHBondContact O-CG 3.35Å; I586-L590 PolarHBondContact O-N 2.96Å
587	L	98.1	Very high	96.1	Very high	80 Å²	80	30.7 Å²	30.7	42%	0.419	17%	0.165	S	C	.	.	H	α-helix	trans	-60.9	-33.7	177.5	-68.8	174.1	0	0	0	112.1	L429 V583 L584 S591	L429-L587 HydrophobicContact CD1-CB 4.14Å; V583-L587 HydrophobicContact CG1-CD1 4.02Å; V583-L587 HydrophobicContact CG1-CG 4.39Å; V583-L587 VanDerWaalsContact O-CG 3.32Å; V583-L587 WeakPolarHBondContact O-CG 3.14Å; V583-L587 PolarHBondContact O-N 3.12Å; L584-L587 PolarHBondContact O-N 3.27Å; L587-S591 WeakPolarHBondContact O-CB 3.32Å; L587-S591 PolarHBondContact O-N 3.26Å; L587-S591 PolarHBondContact O-OG 3Å
588	S	98.1	Very high	95.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61	-50.6	171	176	0	0	0	0	112	S426 G430 L492 L584 I585 I586 L590 S591 G592	S426-S588 VanDerWaalsContact O-CB 3.24Å; S426-S588 WeakPolarHBondContact O-CB 3.19Å; S426-S588 PolarHBondContact O-OG 3.13Å; S426-S588 PolarHBondContact OG-O 2.75Å; S426-S588 PolarHBondContact OG-OG 3.46Å; G430-S588 VanDerWaalsContact CA-CB 3.46Å; G430-S588 WeakPolarHBondContact CA-OG 3.26Å; G430-S588 PolarHBondContact N-OG 3.34Å; L492-S588 WeakPolarHBondContact CD1-OG 3.37Å; L584-S588 WeakPolarHBondContact O-CB 3.43Å; L584-S588 PolarHBondContact O-N 3.31Å; I585-S588 VanDerWaalsContact O-CB 3.29Å; I585-S588 WeakPolarHBondContact O-CB 3.33Å; I585-S588 PolarHBondContact O-N 2.78Å; I586-S588 PolarHBondContact O-N 3.33Å; S588-L590 PolarHBondContact O-N 3.32Å; S588-S591 WeakPolarHBondContact CA-OG 3.49Å; S588-S591 PolarHBondContact O-N 3.25Å; S588-S591 PolarHBondContact O-OG 3.38Å; S588-G592 PolarHBondContact O-N 3.19Å
589	G	97.7	Very high	94.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.6	-41.4	176.5	0	0	0	0	0	113	I585 I586 G592 C593	I585-G589 PolarHBondContact O-N 2.92Å; I586-G589 PolarHBondContact O-N 3.39Å; I586-G589 VanDerWaalsContact O-N 3.11Å; G589-G592 PolarHBondContact O-N 3.41Å; G589-C593 PolarHBondContact O-N 3.24Å; G589-C593 PolarHBondContact O-SG 2.67Å; G589-C593 VanDerWaalsContact O-SG 3.34Å
590	L	97	Very high	93.9	Very high	95 Å²	95	41.3 Å²	41.3	50%	0.497	21%	0.206	S	C	.	.	H	α-helix	trans	-64.6	-44.2	177.8	-69.7	177.3	0	0	0	112.4	L493 I586 S588 G592 C593 A594	L493-L590 HydrophobicContact CD2-CD2 3.88Å; L493-L590 HydrophobicContact CD2-CG 3.84Å; I586-L590 HydrophobicContact CG2-CD1 3.93Å; I586-L590 HydrophobicContact CG2-CG 4.22Å; I586-L590 WeakPolarHBondContact O-CG 3.35Å; I586-L590 PolarHBondContact O-N 2.96Å; S588-L590 PolarHBondContact O-N 3.32Å; L590-G592 VanDerWaalsContact C-N 3.34Å; L590-C593 WeakPolarHBondContact O-CB 3.34Å; L590-C593 PolarHBondContact O-N 3.18Å; L590-A594 PolarHBondContact O-N 3.03Å
591	S	95.4	Very high	93	Very high	21 Å²	21	45.9 Å²	45.9	15%	0.147	23%	0.225	C	C	.	.	H	α-helix	trans	-65.6	-37.5	176	53.6	0	0	0	0	112	S426 L587 S588 C593 A594	S426-S591 VanDerWaalsContact CA-OG 3.27Å; S426-S591 WeakPolarHBondContact CA-OG 3.34Å; S426-S591 VanDerWaalsContact CB-OG 3.31Å; S426-S591 WeakPolarHBondContact CB-OG 3.36Å; L587-S591 WeakPolarHBondContact O-CB 3.32Å; L587-S591 PolarHBondContact O-N 3.26Å; L587-S591 PolarHBondContact O-OG 3Å; S588-S591 WeakPolarHBondContact CA-OG 3.49Å; S588-S591 PolarHBondContact O-N 3.25Å; S588-S591 PolarHBondContact O-OG 3.38Å; S591-C593 VanDerWaalsContact C-N 3.33Å; S591-C593 PolarHBondContact O-N 2.94Å; S591-A594 WeakPolarHBondContact O-CB 3.43Å; S591-A594 PolarHBondContact O-N 3.24Å; S591-A594 VanDerWaalsContact O-N 3.16Å
592	G	94.4	Very high	92	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.3	-38.8	171.9	0	0	0	0	0	112.7	N489 S588 G589 L590 A594 V595	N489-G592 PolarHBondContact ND2-O 3.35Å; N489-G592 VanDerWaalsContact ND2-O 3.08Å; N489-G592 WeakPolarHBondContact OD1-CA 3.19Å; S588-G592 PolarHBondContact O-N 3.19Å; G589-G592 PolarHBondContact O-N 3.41Å; L590-G592 VanDerWaalsContact C-N 3.34Å; G592-A594 PolarHBondContact O-N 3.36Å; G592-V595 WeakPolarHBondContact O-CB 3.38Å; G592-V595 WeakPolarHBondContact O-CG2 3.16Å; G592-V595 PolarHBondContact O-N 3.35Å
593	C	94.8	Very high	91	Very high	19 Å²	19	54.7 Å²	54.7	13%	0.128	26%	0.262	C	S	.	.	H	α-helix	trans	-65	-19.2	175.5	-76.2	0	0	0	0	113.5	W486 N489 G589 L590 S591 V595 P596 F597	W486-C593 HydrophobicContact CZ3-CB 4.32Å; N489-C593 VanDerWaalsContact CB-SG 3.57Å; N489-C593 PolarHBondContact ND2-N 2.95Å; G589-C593 PolarHBondContact O-N 3.24Å; G589-C593 PolarHBondContact O-SG 2.67Å; G589-C593 VanDerWaalsContact O-SG 3.34Å; L590-C593 WeakPolarHBondContact O-CB 3.34Å; L590-C593 PolarHBondContact O-N 3.18Å; S591-C593 VanDerWaalsContact C-N 3.33Å; S591-C593 PolarHBondContact O-N 2.94Å; C593-V595 VanDerWaalsContact C-N 3.34Å; C593-P596 WeakPolarHBondContact O-CD 3.4Å; C593-F597 VanDerWaalsContact O-CD2 3.28Å; C593-F597 WeakPolarHBondContact O-CD2 3.45Å; C593-F597 WeakPolarHBondContact O-CE2 3.21Å
594	A	93.1	Very high	89.9	Confident	29 Å²	29	55 Å²	55	24%	0.24	27%	0.267	C	S	.	.	H	α-helix	trans	-75.7	-20.6	176.2	0	0	0	0	0	113.2	L422 L590 S591 G592 F597 M598	L422-A594 HydrophobicContact CD1-CB 4.29Å; L590-A594 PolarHBondContact O-N 3.03Å; S591-A594 WeakPolarHBondContact O-CB 3.43Å; S591-A594 PolarHBondContact O-N 3.24Å; S591-A594 VanDerWaalsContact O-N 3.16Å; G592-A594 PolarHBondContact O-N 3.36Å; A594-F597 PolarHBondContact O-N 2.65Å; A594-F597 VanDerWaalsContact O-N 3.15Å; A594-M598 HydrophobicContact CB-SD 4.21Å; A594-M598 PolarHBondContact O-N 2.95Å; A594-M598 VanDerWaalsContact O-N 3.08Å
595	V	93.6	Very high	88.9	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-53.1	-50.7	-176.6	168.7	0	0	0	0	113.6	T419 L422 L423 L485 E536 G592 C593 F597 M598 K599	T419-V595 HydrophobicContact CG2-CG1 3.81Å; L422-V595 HydrophobicContact CB-CG2 3.76Å; L422-V595 HydrophobicContact CD1-CG2 4Å; L423-V595 HydrophobicContact CD2-CG2 4.01Å; L423-V595 HydrophobicContact CG-CG2 4.15Å; L485-V595 HydrophobicContact CD2-CB 4.06Å; L485-V595 HydrophobicContact CD2-CG1 3.87Å; E536-V595 HydrophobicContact CG-CG1 4.3Å; G592-V595 WeakPolarHBondContact O-CB 3.38Å; G592-V595 WeakPolarHBondContact O-CG2 3.16Å; G592-V595 PolarHBondContact O-N 3.35Å; C593-V595 VanDerWaalsContact C-N 3.34Å; V595-F597 VanDerWaalsContact C-N 3.28Å; V595-F597 PolarHBondContact O-N 3.5Å; V595-M598 PolarHBondContact O-N 3.02Å; V595-K599 WeakPolarHBondContact O-CB 3.46Å; V595-K599 PolarHBondContact O-N 3.27Å
596	P	90.4	Very high	87.8	Confident	28 Å²	28	69.2 Å²	69.2	18%	0.182	32%	0.323	C	S	.	.	H	α-helix	trans	-64.4	-32	-178.6	-23	36.6	0	0	0	113.3	L485 W486 C593 R600	L485-P596 HydrophobicContact CD2-CG 3.68Å; W486-P596 HydrophobicContact CZ2-CB 4.36Å; W486-P596 HydrophobicContact CZ2-CG 3.83Å; C593-P596 WeakPolarHBondContact O-CD 3.4Å; P596-R600 WeakPolarHBondContact O-CG 3.42Å; P596-R600 PolarHBondContact O-N 3.15Å
597	F	87	Confident	86.7	Confident	129 Å²	129	75.5 Å²	75.5	57%	0.566	34%	0.344	S	S	*	.	H	α-helix	trans	-70.4	-43.9	178.6	-63	-82.3	0	0	0	110.9	W486 C593 A594 V595 R600 F601	W486-F597 HydrophobicContact CH2-CE2 4.44Å; C593-F597 VanDerWaalsContact O-CD2 3.28Å; C593-F597 WeakPolarHBondContact O-CD2 3.45Å; C593-F597 WeakPolarHBondContact O-CE2 3.21Å; A594-F597 PolarHBondContact O-N 2.65Å; A594-F597 VanDerWaalsContact O-N 3.15Å; V595-F597 VanDerWaalsContact C-N 3.28Å; V595-F597 PolarHBondContact O-N 3.5Å; F597-R600 WeakPolarHBondContact O-CB 3.47Å; F597-R600 PolarHBondContact O-N 3.47Å; F597-F601 PolarHBondContact O-N 2.98Å
598	M	83.1	Confident	85.7	Confident	56 Å²	56	74.4 Å²	74.4	28%	0.276	35%	0.347	S	S	.	.	H	α-helix	trans	-72.2	-34.9	-180	-73.8	165.4	68.2	0	0	111.7	L418 L422 A594 V595 R600 F601 D602	L418-M598 HydrophobicContact CD1-CE 3.43Å; L418-M598 VanDerWaalsContact CD1-CE 3.43Å; L418-M598 HydrophobicContact CD2-CB 4.32Å; L418-M598 HydrophobicContact CD2-CE 3.39Å; L418-M598 HydrophobicContact CG-CE 3.33Å; L422-M598 HydrophobicContact CD1-CB 3.86Å; L422-M598 HydrophobicContact CD1-CE 3.47Å; L422-M598 VanDerWaalsContact CD1-CE 3.47Å; L422-M598 HydrophobicContact CD1-CG 4.05Å; L422-M598 HydrophobicContact CD1-SD 3.2Å; L422-M598 WeakPolarHBondContact CD1-SD 3.27Å; L422-M598 HydrophobicContact CD2-CE 3.86Å; L422-M598 HydrophobicContact CD2-SD 3.93Å; L422-M598 HydrophobicContact CG-CE 3.72Å; L422-M598 HydrophobicContact CG-SD 3.97Å; A594-M598 HydrophobicContact CB-SD 4.21Å; A594-M598 PolarHBondContact O-N 2.95Å; A594-M598 VanDerWaalsContact O-N 3.08Å; V595-M598 PolarHBondContact O-N 3.02Å; M598-R600 VanDerWaalsContact C-N 3.3Å; M598-R600 PolarHBondContact O-N 3.26Å; M598-F601 WeakPolarHBondContact O-CB 3.46Å; M598-F601 PolarHBondContact O-N 2.88Å; M598-F601 VanDerWaalsContact O-N 3.12Å; M598-D602 PolarHBondContact O-N 3.49Å
599	K	81.5	Confident	84.6	Confident	38 Å²	38	77.8 Å²	77.8	17%	0.165	37%	0.367	C	S	.	.	H	α-helix	trans	-62.3	-34.4	171.1	-170.5	168.6	-175.5	169.3	0	112.9	D535 E536 V595 R603	D535-K599 PolarHBondContact O-NZ 3.29Å; E536-K599 PolarHBondContact O-NZ 3.01Å; E536-K599 WeakPolarHBondContact OE2-CD 3.31Å; E536-K599 IonicContact OE2-NZ 3.44Å; E536-K599 PolarHBondContact OE2-NZ 3.42Å; V595-K599 WeakPolarHBondContact O-CB 3.46Å; V595-K599 PolarHBondContact O-N 3.27Å; K599-R603 VanDerWaalsContact CE-NH2 3.33Å; K599-R603 WeakPolarHBondContact O-CB 3.23Å; K599-R603 WeakPolarHBondContact O-CG 3.33Å; K599-R603 PolarHBondContact O-N 3.18Å; K599-R603 VanDerWaalsContact O-N 3.11Å
600	R	81.7	Confident	83.5	Confident	184 Å²	184	82 Å²	82	69%	0.694	39%	0.392	S	S	*	.	H	α-helix	trans	-66.7	-41.1	172.9	-76.9	177.1	178.6	-178.8	0.2	111.4	P596 F597 M598 R603 S604	P596-R600 WeakPolarHBondContact O-CG 3.42Å; P596-R600 PolarHBondContact O-N 3.15Å; F597-R600 WeakPolarHBondContact O-CB 3.47Å; F597-R600 PolarHBondContact O-N 3.47Å; M598-R600 VanDerWaalsContact C-N 3.3Å; M598-R600 PolarHBondContact O-N 3.26Å; R600-R603 PolarHBondContact O-N 2.88Å; R600-S604 WeakPolarHBondContact O-CB 3.49Å; R600-S604 PolarHBondContact O-N 3.39Å
601	F	77.8	Confident	82.5	Confident	145 Å²	145	82.1 Å²	82.1	64%	0.636	39%	0.394	S	S	*	.	H	α-helix	trans	-64.4	-46.7	177.9	-167	-95.8	0	0	0	112	F597 M598 R603 S604 K605	F597-F601 PolarHBondContact O-N 2.98Å; M598-F601 WeakPolarHBondContact O-CB 3.46Å; M598-F601 PolarHBondContact O-N 2.88Å; M598-F601 VanDerWaalsContact O-N 3.12Å; F601-R603 PolarHBondContact O-N 2.85Å; F601-S604 WeakPolarHBondContact O-CB 3.44Å; F601-S604 PolarHBondContact O-N 3.19Å; F601-S604 VanDerWaalsContact O-N 3.16Å; F601-K605 PolarHBondContact O-N 3.23Å
602	D	76.8	Confident	81.4	Confident	43 Å²	43	87.6 Å²	87.6	23%	0.23	42%	0.415	C	S	.	.	H	α-helix	trans	-62	-40.8	176.4	-84.2	-13.1	0	0	0	112.4	M598 K605 R606	M598-D602 PolarHBondContact O-N 3.49Å; D602-K605 PolarHBondContact O-N 2.82Å; D602-R606 WeakPolarHBondContact O-CB 3.31Å; D602-R606 WeakPolarHBondContact O-CG 3.27Å; D602-R606 PolarHBondContact O-N 3.39Å
603	R	76.9	Confident	80.4	Confident	143 Å²	143	93.9 Å²	93.9	54%	0.54	44%	0.444	S	S	.	.	H	α-helix	trans	-63.4	-41.1	173.7	-76.5	-170.3	-129.9	-167.5	2.4	112.2	K599 R600 F601 K605 R606 R607	K599-R603 VanDerWaalsContact CE-NH2 3.33Å; K599-R603 WeakPolarHBondContact O-CB 3.23Å; K599-R603 WeakPolarHBondContact O-CG 3.33Å; K599-R603 PolarHBondContact O-N 3.18Å; K599-R603 VanDerWaalsContact O-N 3.11Å; R600-R603 PolarHBondContact O-N 2.88Å; F601-R603 PolarHBondContact O-N 2.85Å; R603-K605 VanDerWaalsContact C-N 3.33Å; R603-R606 PolarHBondContact O-N 3.34Å; R603-R607 WeakPolarHBondContact O-CB 3.07Å; R603-R607 WeakPolarHBondContact O-CG 3.42Å; R603-R607 PolarHBondContact O-N 3.2Å
604	S	76.8	Confident	79.3	Confident	78 Å²	78	96.2 Å²	96.2	55%	0.545	46%	0.461	S	S	.	.	H	α-helix	trans	-63.4	-41.4	176.8	-165.4	0	0	0	0	111.4	R600 F601 A608	R600-S604 WeakPolarHBondContact O-CB 3.49Å; R600-S604 PolarHBondContact O-N 3.39Å; F601-S604 WeakPolarHBondContact O-CB 3.44Å; F601-S604 PolarHBondContact O-N 3.19Å; F601-S604 VanDerWaalsContact O-N 3.16Å; S604-A608 WeakPolarHBondContact O-CB 3.38Å; S604-A608 PolarHBondContact O-N 2.79Å
605	K	76	Confident	78.2	Confident	137 Å²	137	98.9 Å²	98.9	60%	0.596	47%	0.471	S	S	*	.	H	α-helix	trans	-66.5	-45.1	176.9	-169.1	177.2	-179.5	-177.7	0	111.8	F601 D602 R603 A608 V609	F601-K605 PolarHBondContact O-N 3.23Å; D602-K605 PolarHBondContact O-N 2.82Å; R603-K605 VanDerWaalsContact C-N 3.33Å; K605-A608 PolarHBondContact O-N 2.91Å; K605-V609 WeakPolarHBondContact O-CG2 3.45Å; K605-V609 PolarHBondContact O-N 3.39Å
606	R	74.8	Confident	77.2	Confident	184 Å²	184	102.7 Å²	102.7	69%	0.694	49%	0.491	S	S	*	.	H	α-helix	trans	-62.7	-42.6	175.6	-74.9	-174.8	-176.7	-144.7	1.3	112	D602 R603 V609 V610	D602-R606 WeakPolarHBondContact O-CB 3.31Å; D602-R606 WeakPolarHBondContact O-CG 3.27Å; D602-R606 PolarHBondContact O-N 3.39Å; R603-R606 PolarHBondContact O-N 3.34Å; R606-V609 PolarHBondContact O-N 3.22Å; R606-V610 WeakPolarHBondContact O-CG2 3.39Å; R606-V610 PolarHBondContact O-N 2.62Å
607	R	76.2	Confident	76.2	Confident	176 Å²	176	104.7 Å²	104.7	66%	0.664	50%	0.504	S	S	*	.	H	α-helix	trans	-59.4	-47.2	173.3	-78.2	-178.8	-179.1	-175.9	-2.2	111.4	R603 V609 V610 D611	R603-R607 WeakPolarHBondContact O-CB 3.07Å; R603-R607 WeakPolarHBondContact O-CG 3.42Å; R603-R607 PolarHBondContact O-N 3.2Å; R607-V609 VanDerWaalsContact C-N 3.25Å; R607-V609 PolarHBondContact O-N 2.85Å; R607-V610 PolarHBondContact O-N 3.23Å; R607-D611 VanDerWaalsContact O-CB 3.31Å; R607-D611 WeakPolarHBondContact O-CB 3.16Å; R607-D611 PolarHBondContact O-N 2.99Å
608	A	76	Confident	75.5	Confident	58 Å²	58	103.7 Å²	103.7	48%	0.479	50%	0.504	S	S	.	.	H	α-helix	trans	-60.1	-33.7	176.6	0	0	0	0	0	113.4	S604 K605 K612	S604-A608 WeakPolarHBondContact O-CB 3.38Å; S604-A608 PolarHBondContact O-N 2.79Å; K605-A608 PolarHBondContact O-N 2.91Å; A608-K612 VanDerWaalsContact O-CB 3.26Å; A608-K612 WeakPolarHBondContact O-CB 3.45Å; A608-K612 PolarHBondContact O-N 3.21Å
609	V	76	Confident	74.8	Confident	71 Å²	71	106 Å²	106	43%	0.43	51%	0.512	S	S	.	.	H	α-helix	trans	-69.9	-48.2	173.6	174.2	0	0	0	0	111.3	K605 R606 R607 D611 K612 E613	K605-V609 WeakPolarHBondContact O-CG2 3.45Å; K605-V609 PolarHBondContact O-N 3.39Å; R606-V609 PolarHBondContact O-N 3.22Å; R607-V609 VanDerWaalsContact C-N 3.25Å; R607-V609 PolarHBondContact O-N 2.85Å; V609-D611 VanDerWaalsContact C-N 3.35Å; V609-D611 PolarHBondContact O-N 3.03Å; V609-K612 WeakPolarHBondContact O-CB 3.26Å; V609-K612 PolarHBondContact O-N 3.42Å; V609-K612 VanDerWaalsContact O-N 3.16Å; V609-E613 HydrophobicContact CG1-CG 4.41Å; V609-E613 WeakPolarHBondContact O-CG 3.35Å; V609-E613 PolarHBondContact O-N 3.02Å
610	V	74.5	Confident	74.5	Confident	87 Å²	87	109 Å²	109	53%	0.527	53%	0.53	S	S	.	.	H	α-helix	trans	-63.4	-40.4	177.9	173.8	0	0	0	0	111.5	R606 R607 K612 E613 S614	R606-V610 WeakPolarHBondContact O-CG2 3.39Å; R606-V610 PolarHBondContact O-N 2.62Å; R607-V610 PolarHBondContact O-N 3.23Å; V610-K612 VanDerWaalsContact C-N 3.29Å; V610-K612 PolarHBondContact O-N 3.22Å; V610-E613 PolarHBondContact O-N 3.36Å; V610-S614 WeakPolarHBondContact O-CB 3.16Å; V610-S614 PolarHBondContact O-N 2.82Å; V610-S614 PolarHBondContact O-OG 2.9Å
611	D	75.7	Confident	74.2	Confident	98 Å²	98	106.5 Å²	106.5	52%	0.524	53%	0.526	S	S	.	.	H	α-helix	trans	-63.4	-38.6	175.4	-67	-22.1	0	0	0	110.2	R607 V609 S614 L615	R607-D611 VanDerWaalsContact O-CB 3.31Å; R607-D611 WeakPolarHBondContact O-CB 3.16Å; R607-D611 PolarHBondContact O-N 2.99Å; V609-D611 VanDerWaalsContact C-N 3.35Å; V609-D611 PolarHBondContact O-N 3.03Å; D611-S614 WeakPolarHBondContact CA-OG 3.45Å; D611-S614 PolarHBondContact O-OG 2.9Å; D611-L615 WeakPolarHBondContact O-CB 3.42Å; D611-L615 PolarHBondContact O-N 2.95Å
612	K	72.3	Confident	74.2	Confident	136 Å²	136	105 Å²	105	59%	0.591	52%	0.523	S	S	*	.	H	α-helix	trans	-69.1	-46.3	175.2	-170.5	179.3	178.4	-174.4	0	112.4	A608 V609 V610 S614 L615 D616	A608-K612 VanDerWaalsContact O-CB 3.26Å; A608-K612 WeakPolarHBondContact O-CB 3.45Å; A608-K612 PolarHBondContact O-N 3.21Å; V609-K612 WeakPolarHBondContact O-CB 3.26Å; V609-K612 PolarHBondContact O-N 3.42Å; V609-K612 VanDerWaalsContact O-N 3.16Å; V610-K612 VanDerWaalsContact C-N 3.29Å; V610-K612 PolarHBondContact O-N 3.22Å; K612-S614 VanDerWaalsContact C-N 3.28Å; K612-S614 PolarHBondContact O-N 2.93Å; K612-L615 PolarHBondContact O-N 3.37Å; K612-L615 VanDerWaalsContact O-N 3.16Å; K612-D616 VanDerWaalsContact O-CG 3.26Å; K612-D616 PolarHBondContact O-N 3.44Å
613	E	72.6	Confident	74.2	Confident	132 Å²	132	107.3 Å²	107.3	62%	0.617	54%	0.535	S	S	*	.	H	α-helix	trans	-65.9	-27.6	177.6	-75.9	179.9	178.3	0	0	113.1	V609 V610 P617	V609-E613 HydrophobicContact CG1-CG 4.41Å; V609-E613 WeakPolarHBondContact O-CG 3.35Å; V609-E613 PolarHBondContact O-N 3.02Å; V610-E613 PolarHBondContact O-N 3.36Å; E613-P617 WeakPolarHBondContact O-CD 3.32Å; E613-P617 WeakPolarHBondContact O-CG 3.43Å
614	S	72.6	Confident	74.3	Confident	69 Å²	69	106.8 Å²	106.8	48%	0.483	54%	0.536	S	S	.	.	H	α-helix	trans	-81.8	-29.1	171.8	56.6	0	0	0	0	112.9	V610 D611 K612	V610-S614 WeakPolarHBondContact O-CB 3.16Å; V610-S614 PolarHBondContact O-N 2.82Å; V610-S614 PolarHBondContact O-OG 2.9Å; D611-S614 WeakPolarHBondContact CA-OG 3.45Å; D611-S614 PolarHBondContact O-OG 2.9Å; K612-S614 VanDerWaalsContact C-N 3.28Å; K612-S614 PolarHBondContact O-N 2.93Å
615	L	69.4	Low	74.5	Confident	85 Å²	85	106.9 Å²	106.9	45%	0.445	53%	0.534	S	S	.	.	H	α-helix	trans	-74.3	-37.9	175.5	-132.2	79.4	0	0	0	113	D611 K612 L618 K619	D611-L615 WeakPolarHBondContact O-CB 3.42Å; D611-L615 PolarHBondContact O-N 2.95Å; K612-L615 PolarHBondContact O-N 3.37Å; K612-L615 VanDerWaalsContact O-N 3.16Å; L615-L618 PolarHBondContact O-N 3.47Å; L615-K619 HydrophobicContact CD2-CD 4.37Å; L615-K619 WeakPolarHBondContact O-CB 3.39Å; L615-K619 WeakPolarHBondContact O-CG 3.4Å; L615-K619 PolarHBondContact O-N 3.44Å
616	D	73.9	Confident	74.6	Confident	79 Å²	79	104.7 Å²	104.7	42%	0.422	53%	0.528	S	S	.	.	H	α-helix	trans	-61.8	-43.7	-173.5	-72.6	-19	0	0	0	113.1	K612 L618 L620	K612-D616 VanDerWaalsContact O-CG 3.26Å; K612-D616 PolarHBondContact O-N 3.44Å; D616-L618 PolarHBondContact O-N 3.29Å; D616-L620 WeakPolarHBondContact O-CB 3.38Å; D616-L620 PolarHBondContact O-N 2.98Å
617	P	68.8	Low	74.8	Confident	71 Å²	71	102.1 Å²	102.1	46%	0.461	52%	0.524	S	S	.	.	H	α-helix	trans	-63.4	-39.5	172	-19.3	29.7	0	0	0	112.5	E613 L620 Q621	E613-P617 WeakPolarHBondContact O-CD 3.32Å; E613-P617 WeakPolarHBondContact O-CG 3.43Å; P617-L620 PolarHBondContact O-N 3.29Å; P617-Q621 WeakPolarHBondContact O-CG 3.35Å; P617-Q621 PolarHBondContact O-N 3.46Å
618	L	73.2	Confident	75	Confident	107 Å²	107	96.6 Å²	96.6	56%	0.56	51%	0.512	S	S	*	.	H	α-helix	trans	-67.9	-41.4	-179.5	-166.5	77.2	0	0	0	111.3	L615 D616 Q621 M622	L615-L618 PolarHBondContact O-N 3.47Å; D616-L618 PolarHBondContact O-N 3.29Å; L618-Q621 PolarHBondContact O-N 2.99Å; L618-M622 WeakPolarHBondContact O-CB 3.2Å; L618-M622 PolarHBondContact O-N 3.5Å
619	K	68.2	Low	75.2	Confident	104 Å²	104	98.6 Å²	98.6	45%	0.452	51%	0.514	S	S	.	.	H	α-helix	trans	-61.7	-46.6	172.6	-80.2	179.3	172	174.4	0	111.4	L615 Q621 M622 D623	L615-K619 HydrophobicContact CD2-CD 4.37Å; L615-K619 WeakPolarHBondContact O-CB 3.39Å; L615-K619 WeakPolarHBondContact O-CG 3.4Å; L615-K619 PolarHBondContact O-N 3.44Å; K619-Q621 PolarHBondContact O-N 3.38Å; K619-M622 CarbonylContact O-C 3.51Å; K619-M622 PolarHBondContact O-N 3.47Å; K619-D623 WeakPolarHBondContact O-CB 3.47Å; K619-D623 PolarHBondContact O-N 3.22Å
620	L	73.7	Confident	75.2	Confident	103 Å²	103	99.1 Å²	99.1	54%	0.539	52%	0.52	S	S	.	.	H	α-helix	trans	-59.6	-37.2	176.7	-168.1	78.1	0	0	0	111.9	D616 P617 K624	D616-L620 WeakPolarHBondContact O-CB 3.38Å; D616-L620 PolarHBondContact O-N 2.98Å; P617-L620 PolarHBondContact O-N 3.29Å; L620-K624 VanDerWaalsContact O-CG 3.3Å; L620-K624 WeakPolarHBondContact O-CG 3.21Å; L620-K624 PolarHBondContact O-N 3.22Å
621	Q	75.4	Confident	75.3	Confident	131 Å²	131	100.9 Å²	100.9	61%	0.612	53%	0.526	S	S	*	.	H	α-helix	trans	-67.9	-40.3	173	-73	-168.5	-71	0	0	112.3	P617 L618 K619 V625	P617-Q621 WeakPolarHBondContact O-CG 3.35Å; P617-Q621 PolarHBondContact O-N 3.46Å; L618-Q621 PolarHBondContact O-N 2.99Å; K619-Q621 PolarHBondContact O-N 3.38Å; Q621-V625 WeakPolarHBondContact O-CG2 3.1Å; Q621-V625 PolarHBondContact O-N 2.98Å
622	M	77.4	Confident	75.2	Confident	114 Å²	114	102.7 Å²	102.7	56%	0.562	54%	0.536	S	S	*	.	H	α-helix	trans	-71	-39.4	-179.8	-165.1	159.8	68.8	0	0	112.7	L618 K619 K624 V625 L626	L618-M622 WeakPolarHBondContact O-CB 3.2Å; L618-M622 PolarHBondContact O-N 3.5Å; K619-M622 CarbonylContact O-C 3.51Å; K619-M622 PolarHBondContact O-N 3.47Å; M622-K624 VanDerWaalsContact C-N 3.32Å; M622-K624 PolarHBondContact O-N 3.34Å; M622-V625 PolarHBondContact O-N 3.41Å; M622-V625 VanDerWaalsContact O-N 3.15Å; M622-L626 PolarHBondContact O-N 3Å
623	D	78	Confident	74.7	Confident	91 Å²	91	100.1 Å²	100.1	49%	0.487	54%	0.54	S	S	.	.	H	α-helix	trans	-62.6	-40.2	175.2	-69.7	-20.7	0	0	0	110.8	K619 V625 L626 E627	K619-D623 WeakPolarHBondContact O-CB 3.47Å; K619-D623 PolarHBondContact O-N 3.22Å; D623-V625 VanDerWaalsContact C-N 3.32Å; D623-V625 PolarHBondContact O-N 2.88Å; D623-L626 PolarHBondContact O-N 3.39Å; D623-E627 PolarHBondContact O-N 3.25Å
624	K	78.4	Confident	73.7	Confident	131 Å²	131	104 Å²	104	57%	0.57	57%	0.565	S	S	*	*	H	α-helix	trans	-62.5	-36.6	172.8	-76.7	178.2	178.8	-174.5	0	113.2	L620 M622 S628	L620-K624 VanDerWaalsContact O-CG 3.3Å; L620-K624 WeakPolarHBondContact O-CG 3.21Å; L620-K624 PolarHBondContact O-N 3.22Å; M622-K624 VanDerWaalsContact C-N 3.32Å; M622-K624 PolarHBondContact O-N 3.34Å; K624-S628 PolarHBondContact O-N 3.06Å; K624-S628 VanDerWaalsContact O-N 3.13Å
625	V	80.8	Confident	73.7	Confident	81 Å²	81	105.7 Å²	105.7	49%	0.491	57%	0.569	S	S	.	*	H	α-helix	trans	-69.9	-41.6	175.8	172	0	0	0	0	110.3	Q621 M622 D623 S628 L629	Q621-V625 WeakPolarHBondContact O-CG2 3.1Å; Q621-V625 PolarHBondContact O-N 2.98Å; M622-V625 PolarHBondContact O-N 3.41Å; M622-V625 VanDerWaalsContact O-N 3.15Å; D623-V625 VanDerWaalsContact C-N 3.32Å; D623-V625 PolarHBondContact O-N 2.88Å; V625-S628 PolarHBondContact O-N 3.25Å; V625-S628 PolarHBondContact O-OG 2.97Å; V625-L629 HydrophobicContact CG1-CD1 4.1Å; V625-L629 WeakPolarHBondContact O-CG 3.4Å; V625-L629 PolarHBondContact O-N 2.96Å
626	L	78.7	Confident	74	Confident	91 Å²	91	106.8 Å²	106.8	48%	0.476	58%	0.576	S	S	.	*	H	α-helix	trans	-65.7	-42.3	176.6	-78	165.2	0	0	0	112.6	M622 D623 S628 L629 C630	M622-L626 PolarHBondContact O-N 3Å; D623-L626 PolarHBondContact O-N 3.39Å; L626-S628 VanDerWaalsContact C-N 3.31Å; L626-S628 PolarHBondContact O-N 3.33Å; L626-L629 PolarHBondContact O-N 3.47Å; L626-C630 PolarHBondContact O-N 2.79Å
627	E	79.5	Confident	74	Confident	130 Å²	130	108.3 Å²	108.3	61%	0.607	58%	0.584	S	S	*	*	H	α-helix	trans	-56.7	-46.3	171.7	-83	-179.9	164.6	0	0	110.8	D623 L629 C630 D631	D623-E627 PolarHBondContact O-N 3.25Å; E627-L629 VanDerWaalsContact C-N 3.29Å; E627-L629 PolarHBondContact O-N 3.07Å; E627-C630 PolarHBondContact O-N 3.48Å; E627-D631 PolarHBondContact O-N 3.39Å
628	S	79.4	Confident	74.3	Confident	59 Å²	59	110.5 Å²	110.5	41%	0.413	59%	0.591	S	S	.	*	H	α-helix	trans	-62.5	-33.2	177.3	72.1	0	0	0	0	113.9	K624 V625 L626 D632	K624-S628 PolarHBondContact O-N 3.06Å; K624-S628 VanDerWaalsContact O-N 3.13Å; V625-S628 PolarHBondContact O-N 3.25Å; V625-S628 PolarHBondContact O-OG 2.97Å; L626-S628 VanDerWaalsContact C-N 3.31Å; L626-S628 PolarHBondContact O-N 3.33Å; S628-D632 PolarHBondContact O-N 2.95Å
629	L	79.9	Confident	74.4	Confident	100 Å²	100	110.8 Å²	110.8	52%	0.524	59%	0.593	S	S	.	*	H	α-helix	trans	-78.3	-30.6	178.5	-73	169.9	0	0	0	112.8	V625 L626 E627 A633	V625-L629 HydrophobicContact CG1-CD1 4.1Å; V625-L629 WeakPolarHBondContact O-CG 3.4Å; V625-L629 PolarHBondContact O-N 2.96Å; L626-L629 PolarHBondContact O-N 3.47Å; E627-L629 VanDerWaalsContact C-N 3.29Å; E627-L629 PolarHBondContact O-N 3.07Å; L629-A633 PolarHBondContact O-N 2.96Å
630	C	77.2	Confident	74.8	Confident	82 Å²	82	111.2 Å²	111.2	55%	0.554	60%	0.603	S	S	*	*	H	α-helix	trans	-73.7	-40.2	173.6	-74.4	0	0	0	0	111.4	L626 E627 D632 A633	L626-C630 PolarHBondContact O-N 2.79Å; E627-C630 PolarHBondContact O-N 3.48Å; C630-D632 PolarHBondContact O-N 3.23Å; C630-A633 PolarHBondContact O-N 3.23Å; C630-A633 VanDerWaalsContact O-N 3.07Å
631	D	76.9	Confident	74.8	Confident	124 Å²	124	111.8 Å²	111.8	66%	0.663	61%	0.607	S	S	*	*	H	α-helix	trans	-63.1	-28.4	174.9	-75.3	-15.7	0	0	0	112.1	E627	E627-D631 PolarHBondContact O-N 3.39Å
632	D	72.2	Confident	74.8	Confident	137 Å²	137	110.3 Å²	110.3	73%	0.733	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-9.5	175	-80.8	-20.4	0	0	0	113.8	S628 C630	S628-D632 PolarHBondContact O-N 2.95Å; C630-D632 PolarHBondContact O-N 3.23Å
633	A	63.7	Low	74.6	Confident	82 Å²	82	110 Å²	110	68%	0.678	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-16.4	-176.2	0	0	0	0	0	114.5	L629 C630	L629-A633 PolarHBondContact O-N 2.96Å; C630-A633 PolarHBondContact O-N 3.23Å; C630-A633 VanDerWaalsContact O-N 3.07Å
634	D	50.4	Low	74.3	Confident	212 Å²	212	111.7 Å²	111.7	100%	1.134	62%	0.622	S	S	*	*			trans	-87.3	0	167.1	-81.7	-22	0	0	0	111.1

Retrieved 634 of 634 residues in 955.7 ms (Link to these results)

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