A0A077ZEP2_TRITR Loading...

Methylenetetrahydrofolate reductase

AlphaFold DB , UniProt , Accession A0A077ZEP2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 644 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	26.9	Very low	30.8	Very low	246 Å²	246	135.3 Å²	135.3	100%	1.212	72%	0.722	S	S	*	*				0	44	0	-83	177.9	168.8	0	0	111.4	L3	M1-L3 PolarHBondContact O-N 3.46Å
2	S	27	Very low	31.1	Very low	100 Å²	100	130.2 Å²	130.2	70%	0.699	70%	0.695	S	S	*	*			trans	-91.2	100.9	177	62.3	0	0	0	0	110.3	F4	S2-F4 PolarHBondContact O-N 2.9Å; S2-F4 VanDerWaalsContact O-N 3.16Å
3	L	25.8	Very low	31.1	Very low	146 Å²	146	126.6 Å²	126.6	76%	0.764	71%	0.708	S	S	*	*			trans	6.1	89.5	143.2	-64.3	157.2	0	0	0	116.2	M1	M1-L3 PolarHBondContact O-N 3.46Å
4	F	31.2	Very low	31.2	Very low	197 Å²	197	121.9 Å²	121.9	86%	0.864	69%	0.688	S	S	*	*			trans	-97.9	79.9	146.2	-75.3	-75.6	0	0	0	106.9	S2 N6	S2-F4 PolarHBondContact O-N 2.9Å; S2-F4 VanDerWaalsContact O-N 3.16Å; F4-N6 PolarHBondContact O-N 3.1Å
5	N	28	Very low	31.5	Very low	120 Å²	120	119.8 Å²	119.8	64%	0.642	69%	0.691	S	S	*	*			trans	-69.8	126	170.8	-106.8	-8.3	0	0	0	108.7	N7	N5-N7 PolarHBondContact O-N 2.82Å
6	N	29.8	Very low	31.8	Very low	153 Å²	153	118.6 Å²	118.6	82%	0.818	69%	0.692	S	S	*	*			trans	-66.1	37.3	175	-84.7	-31.8	0	0	0	113.9	F4 E8	F4-N6 PolarHBondContact O-N 3.1Å; N6-E8 PolarHBondContact O-N 2.91Å
7	N	27.3	Very low	32.6	Very low	121 Å²	121	114.7 Å²	114.7	65%	0.647	67%	0.67	S	S	*	*			trans	-83.6	101.4	177.5	-71.6	-3.9	0	0	0	108.7	N5 V9	N5-N7 PolarHBondContact O-N 2.82Å; N7-V9 VanDerWaalsContact C-N 3.34Å; N7-V9 PolarHBondContact O-N 3.18Å
8	E	37.3	Very low	33.3	Very low	96 Å²	96	116.1 Å²	116.1	45%	0.449	67%	0.669	S	S	.	*			trans	-46.9	108.3	148.5	-73	-179.1	177.4	0	0	106.3	N6 S10 R129 A335	N6-E8 PolarHBondContact O-N 2.91Å; E8-S10 PolarHBondContact O-N 2.91Å; E8-R129 IonicContact OE1-CZ 3.76Å; E8-R129 IonicContact OE1-NH2 3.89Å; E8-R129 PolarHBondContact OE1-NH2 3.06Å; E8-A335 WeakPolarHBondContact OE2-CB 3.22Å
9	V	30.2	Very low	34.3	Very low	108 Å²	108	115.5 Å²	115.5	66%	0.655	67%	0.67	S	S	*	*			trans	-66.8	120.2	-168.2	-170.5	0	0	0	0	108.7	N7 I11	N7-V9 VanDerWaalsContact C-N 3.34Å; N7-V9 PolarHBondContact O-N 3.18Å; V9-I11 VanDerWaalsContact C-N 3.33Å; V9-I11 HydrophobicContact CB-CD1 4.19Å; V9-I11 HydrophobicContact CB-CG1 3.64Å; V9-I11 HydrophobicContact CG1-CB 4.37Å; V9-I11 HydrophobicContact CG1-CD1 4.19Å; V9-I11 HydrophobicContact CG1-CG1 3.27Å; V9-I11 PolarHBondContact O-N 2.7Å; V9-I11 VanDerWaalsContact O-N 3.11Å
10	S	31.9	Very low	36.1	Very low	85 Å²	85	110.7 Å²	110.7	59%	0.594	64%	0.641	S	S	*	*			trans	-72	92	157.9	57.2	0	0	0	0	107	E8 D12	E8-S10 PolarHBondContact O-N 2.91Å; S10-D12 VanDerWaalsContact C-N 3.27Å; S10-D12 PolarHBondContact O-N 2.67Å
11	I	43.5	Very low	38.4	Very low	116 Å²	116	111.9 Å²	111.9	60%	0.595	64%	0.635	S	S	*	*			trans	-75.3	-12.2	-172.9	-67.6	177.8	0	0	0	112.5	V9	V9-I11 VanDerWaalsContact C-N 3.33Å; V9-I11 HydrophobicContact CB-CD1 4.19Å; V9-I11 HydrophobicContact CB-CG1 3.64Å; V9-I11 HydrophobicContact CG1-CB 4.37Å; V9-I11 HydrophobicContact CG1-CD1 4.19Å; V9-I11 HydrophobicContact CG1-CG1 3.27Å; V9-I11 PolarHBondContact O-N 2.7Å; V9-I11 VanDerWaalsContact O-N 3.11Å
12	D	33.6	Very low	41.5	Very low	74 Å²	74	101.6 Å²	101.6	40%	0.396	59%	0.587	S	S	.	*	S	Bend	trans	-150.9	32.2	-168.6	68.3	-8.4	0	0	0	116.4	S10 S14 L363	S10-D12 VanDerWaalsContact C-N 3.27Å; S10-D12 PolarHBondContact O-N 2.67Å; D12-S14 PolarHBondContact O-N 2.63Å; D12-S14 WeakPolarHBondContact OD1-CB 3.4Å; D12-S14 PolarHBondContact OD1-N 2.76Å; D12-S14 PolarHBondContact OD1-OG 3.16Å; D12-L363 VanDerWaalsContact OD2-CD1 3.25Å; D12-L363 WeakPolarHBondContact OD2-CD1 3.42Å; D12-L363 VanDerWaalsContact OD2-CD2 3.26Å; D12-L363 WeakPolarHBondContact OD2-CD2 3.49Å
13	G	31.7	Very low	44.8	Very low	84 Å²	84	96.9 Å²	96.9	87%	0.866	55%	0.554	S	S	*	*	S	Bend	trans	59.9	4.5	174.6	0	0	0	0	0	115.6
14	S	32.3	Very low	48.1	Very low	61 Å²	61	92 Å²	92	43%	0.427	53%	0.525	S	S	.	.	S	Bend	trans	-84.4	147.2	170.2	76.3	0	0	0	0	109	D12 S16	D12-S14 PolarHBondContact O-N 2.63Å; D12-S14 WeakPolarHBondContact OD1-CB 3.4Å; D12-S14 PolarHBondContact OD1-N 2.76Å; D12-S14 PolarHBondContact OD1-OG 3.16Å; S14-S16 PolarHBondContact O-N 3.09Å
15	A	36.5	Very low	51.2	Low	90 Å²	90	86.9 Å²	86.9	74%	0.744	50%	0.504	S	S	*	.			trans	-31.9	123.3	-168	0	0	0	0	0	113.8	V17	A15-V17 PolarHBondContact O-N 3.3Å
16	S	35.6	Very low	54.3	Low	100 Å²	100	83.3 Å²	83.3	70%	0.699	48%	0.481	S	S	*	.			trans	-47	108.7	168.8	58.3	0	0	0	0	108.1	S14 E18	S14-S16 PolarHBondContact O-N 3.09Å; S16-E18 PolarHBondContact O-N 2.86Å
17	V	45.9	Very low	57.5	Low	53 Å²	53	76.1 Å²	76.1	32%	0.321	44%	0.443	S	S	.	.			trans	-60.4	113.3	175.9	-178.1	0	0	0	0	105	A15 P19 A335 R338	A15-V17 PolarHBondContact O-N 3.3Å; V17-P19 VanDerWaalsContact O-N 3.12Å; V17-A335 HydrophobicContact CG1-CB 4.44Å; V17-R338 HydrophobicContact CG1-CB 4.15Å
18	E	45.2	Very low	60.8	Low	139 Å²	139	73.5 Å²	73.5	65%	0.65	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-46.3	126.9	-179.5	-90.2	-165.8	163.8	0	0	108.9	S16 L20 R338	S16-E18 PolarHBondContact O-N 2.86Å; E18-L20 PolarHBondContact O-N 3.04Å; E18-R338 PolarHBondContact O-NH1 2.89Å; E18-R338 PolarHBondContact O-NH2 3.49Å
19	P	52.8	Low	63.5	Low	105 Å²	105	74.1 Å²	74.1	68%	0.682	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-54.1	131.6	180	18.2	-28.3	0	0	0	108.9	V17 R21	V17-P19 VanDerWaalsContact O-N 3.12Å; P19-R21 PolarHBondContact O-N 3.39Å; P19-R21 VanDerWaalsContact O-N 3.16Å
20	L	69.1	Low	66.6	Low	20 Å²	20	70.8 Å²	70.8	11%	0.105	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-55.1	122	-177.9	175.5	67.4	0	0	0	110	E18 P22 P332 T333	E18-L20 PolarHBondContact O-N 3.04Å; L20-P22 VanDerWaalsContact O-CD 3.24Å; L20-P22 WeakPolarHBondContact O-CD 3.44Å; L20-P332 WeakPolarHBondContact CD1-O 3.38Å; L20-T333 HydrophobicContact CD2-CG2 4.04Å
21	R	85.5	Confident	69.7	Low	136 Å²	136	69.8 Å²	69.8	51%	0.513	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-58.9	118	169.2	-65.2	-171.6	-161.3	169.5	6.3	109.4	P19 R26	P19-R21 PolarHBondContact O-N 3.39Å; P19-R21 VanDerWaalsContact O-N 3.16Å; R21-R26 HydrophobicContact CB-CG 4.16Å; R21-R26 PolarHBondContact O-NE 3.44Å
22	P	91.9	Very high	72.2	Confident	30 Å²	30	72.6 Å²	72.6	20%	0.195	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-50.5	152.4	176	-28.6	36.2	0	0	0	112.5	L20 R24 E25 R26	L20-P22 VanDerWaalsContact O-CD 3.24Å; L20-P22 WeakPolarHBondContact O-CD 3.44Å; P22-R24 HydrophobicContact CB-CG 3.95Å; P22-R24 PolarHBondContact O-N 3.08Å; P22-E25 PolarHBondContact O-N 3.31Å; P22-E25 VanDerWaalsContact O-N 3.08Å; P22-R26 PolarHBondContact O-N 3.4Å; P22-R26 VanDerWaalsContact O-N 3.17Å
23	L	94.7	Very high	75	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-57.3	-39.6	-179.3	175.7	60.5	0	0	0	111.8	E25 R26 I27 L67 F68 V103 N130 T168 F201	L23-E25 VanDerWaalsContact C-N 3.32Å; L23-E25 PolarHBondContact O-N 3.01Å; L23-R26 PolarHBondContact O-N 3.28Å; L23-I27 HydrophobicContact CD1-CD1 4.12Å; L23-I27 HydrophobicContact CD1-CG1 4.13Å; L23-I27 HydrophobicContact CG-CD1 3.91Å; L23-I27 HydrophobicContact CG-CG1 4.37Å; L23-I27 WeakPolarHBondContact O-CG1 3.32Å; L23-I27 PolarHBondContact O-N 2.68Å; L23-L67 HydrophobicContact CD1-CD2 4Å; L23-L67 HydrophobicContact CD1-CG 3.91Å; L23-F68 HydrophobicContact CD1-CB 4.37Å; L23-F68 HydrophobicContact CD1-CD1 4Å; L23-F68 HydrophobicContact CD2-CB 4.09Å; L23-F68 HydrophobicContact CD2-CD1 3.91Å; L23-F68 HydrophobicContact CD2-CG 4.01Å; L23-V103 HydrophobicContact CD2-CG2 3.85Å; L23-N130 VanDerWaalsContact CB-OD1 3.25Å; L23-N130 WeakPolarHBondContact CB-OD1 3.29Å; L23-N130 HydrophobicContact CD2-CB 4.18Å; L23-T168 HydrophobicContact CB-CG2 4.04Å; L23-T168 HydrophobicContact CD2-CG2 4.47Å; L23-T168 HydrophobicContact CG-CG2 4.38Å; L23-T168 PolarHBondContact N-OG1 2.79Å; L23-F201 HydrophobicContact CD2-CE1 4.21Å; L23-F201 HydrophobicContact CD2-CZ 4.23Å
24	R	96.3	Very high	78	Confident	43 Å²	43	69.3 Å²	69.3	16%	0.162	38%	0.383	C	S	.	.	H	α-helix	trans	-54.5	-43.1	174.9	64	-175.1	179.7	-98	-7.7	113.3	P22 I27 D28 D165 F167 T168 D200	P22-R24 HydrophobicContact CB-CG 3.95Å; P22-R24 PolarHBondContact O-N 3.08Å; R24-I27 PolarHBondContact O-N 3.3Å; R24-D28 PolarHBondContact O-N 2.97Å; R24-D165 PolarHBondContact NH1-O 2.75Å; R24-D165 PolarHBondContact NH2-O 3.38Å; R24-F167 PolarHBondContact NH1-O 3.11Å; R24-T168 HydrophobicContact CB-CG2 3.91Å; R24-T168 PolarHBondContact N-OG1 3.46Å; R24-D200 HydrophobicContact CB-CB 3.82Å; R24-D200 WeakPolarHBondContact CD-OD1 3.49Å
25	E	95.3	Very high	80.8	Confident	90 Å²	90	70.5 Å²	70.5	42%	0.421	39%	0.385	S	S	.	.	H	α-helix	trans	-72.6	-35.3	-179.5	-70.9	174.3	-149.5	0	0	111.8	P22 L23 D28 H29	P22-E25 PolarHBondContact O-N 3.31Å; P22-E25 VanDerWaalsContact O-N 3.08Å; L23-E25 VanDerWaalsContact C-N 3.32Å; L23-E25 PolarHBondContact O-N 3.01Å; E25-D28 PolarHBondContact O-N 2.99Å; E25-H29 VanDerWaalsContact O-CB 3.27Å; E25-H29 WeakPolarHBondContact O-CB 3.05Å; E25-H29 PolarHBondContact O-N 3.07Å
26	R	93.5	Very high	83.5	Confident	46 Å²	46	68.4 Å²	68.4	17%	0.174	36%	0.363	C	S	.	.	H	α-helix	trans	-66.4	-42.3	173.7	-77.5	-176.3	-79.6	137.6	2.8	111.8	R21 P22 L23 H29 L30 D101	R21-R26 HydrophobicContact CB-CG 4.16Å; R21-R26 PolarHBondContact O-NE 3.44Å; P22-R26 PolarHBondContact O-N 3.4Å; P22-R26 VanDerWaalsContact O-N 3.17Å; L23-R26 PolarHBondContact O-N 3.28Å; R26-H29 PolarHBondContact O-N 2.95Å; R26-L30 WeakPolarHBondContact O-CG 3.06Å; R26-L30 PolarHBondContact O-N 3.22Å; R26-D101 IonicContact CZ-OD2 2.82Å; R26-D101 IonicContact NH1-OD2 2.9Å; R26-D101 PolarHBondContact NH1-OD2 3.05Å; R26-D101 IonicContact NH2-OD2 3.93Å; R26-D101 PolarHBondContact NH2-OD2 2.71Å
27	I	96.7	Very high	86.3	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-57.7	-51.8	172.7	-72	170.2	0	0	0	109.7	L23 R24 H29 L30 I31 F37 L67 F201 P228 I230	L23-I27 HydrophobicContact CD1-CD1 4.12Å; L23-I27 HydrophobicContact CD1-CG1 4.13Å; L23-I27 HydrophobicContact CG-CD1 3.91Å; L23-I27 HydrophobicContact CG-CG1 4.37Å; L23-I27 WeakPolarHBondContact O-CG1 3.32Å; L23-I27 PolarHBondContact O-N 2.68Å; R24-I27 PolarHBondContact O-N 3.3Å; I27-H29 VanDerWaalsContact C-N 3.29Å; I27-H29 PolarHBondContact O-N 2.9Å; I27-L30 PolarHBondContact O-N 3.2Å; I27-I31 HydrophobicContact CG2-CD1 3.6Å; I27-I31 HydrophobicContact CG2-CG1 4.38Å; I27-I31 WeakPolarHBondContact O-CB 3.4Å; I27-I31 VanDerWaalsContact O-CG1 3.25Å; I27-I31 WeakPolarHBondContact O-CG1 3.23Å; I27-I31 PolarHBondContact O-N 2.94Å; I27-F37 HydrophobicContact CB-CZ 4.31Å; I27-F37 HydrophobicContact CG1-CE2 4.24Å; I27-F37 HydrophobicContact CG1-CZ 3.94Å; I27-F37 HydrophobicContact CG2-CE1 4.48Å; I27-F37 HydrophobicContact CG2-CZ 3.94Å; I27-L67 HydrophobicContact CG1-CD2 3.65Å; I27-F201 HydrophobicContact CD1-CD1 3.77Å; I27-F201 HydrophobicContact CD1-CD2 4.4Å; I27-F201 HydrophobicContact CD1-CE1 3.72Å; I27-F201 HydrophobicContact CD1-CE2 4.35Å; I27-F201 HydrophobicContact CD1-CG 4.11Å; I27-F201 HydrophobicContact CD1-CZ 4.02Å; I27-P228 HydrophobicContact CG2-CB 3.97Å; I27-P228 HydrophobicContact CG2-CG 3.73Å; I27-I230 HydrophobicContact CD1-CD1 4.49Å
28	D	96.9	Very high	88.8	Confident	66 Å²	66	62.3 Å²	62.3	35%	0.353	32%	0.319	S	S	.	.	H	α-helix	trans	-61.4	-37.9	-180	-75.5	-15.2	0	0	0	112.6	R24 E25 K32	R24-D28 PolarHBondContact O-N 2.97Å; E25-D28 PolarHBondContact O-N 2.99Å; D28-K32 WeakPolarHBondContact O-CB 3.44Å; D28-K32 WeakPolarHBondContact O-CD 3.47Å; D28-K32 WeakPolarHBondContact O-CG 3.39Å; D28-K32 PolarHBondContact O-N 2.8Å
29	H	95.4	Very high	91.3	Very high	110 Å²	110	55.7 Å²	55.7	51%	0.509	29%	0.288	S	S	.	.	H	α-helix	trans	-63.5	-48.9	177.1	-178.7	68	0	0	0	111.9	E25 R26 I27 I31 K32 A33	E25-H29 VanDerWaalsContact O-CB 3.27Å; E25-H29 WeakPolarHBondContact O-CB 3.05Å; E25-H29 PolarHBondContact O-N 3.07Å; R26-H29 PolarHBondContact O-N 2.95Å; I27-H29 VanDerWaalsContact C-N 3.29Å; I27-H29 PolarHBondContact O-N 2.9Å; H29-I31 PolarHBondContact O-N 3.25Å; H29-K32 PolarHBondContact O-N 3.2Å; H29-A33 WeakPolarHBondContact O-CB 3.36Å; H29-A33 PolarHBondContact O-N 3.37Å
30	L	94.7	Very high	93.5	Very high	38 Å²	38	50.7 Å²	50.7	20%	0.199	26%	0.256	C	S	.	.	H	α-helix	trans	-62.3	-43.5	177.8	-69.9	166.1	0	0	0	111.3	R26 I27 K32 A33 G34 D35 F37 L67	R26-L30 WeakPolarHBondContact O-CG 3.06Å; R26-L30 PolarHBondContact O-N 3.22Å; I27-L30 PolarHBondContact O-N 3.2Å; L30-K32 VanDerWaalsContact C-N 3.33Å; L30-K32 PolarHBondContact O-N 2.85Å; L30-A33 PolarHBondContact O-N 3.05Å; L30-G34 PolarHBondContact O-N 2.85Å; L30-D35 HydrophobicContact CB-CB 4.39Å; L30-D35 HydrophobicContact CD2-CB 3.85Å; L30-D35 PolarHBondContact O-N 2.91Å; L30-F37 HydrophobicContact CB-CD1 3.85Å; L30-F37 HydrophobicContact CB-CE1 4.09Å; L30-F37 HydrophobicContact CD1-CB 4.15Å; L30-F37 HydrophobicContact CD1-CD1 3.66Å; L30-F37 HydrophobicContact CD1-CE1 4.27Å; L30-F37 HydrophobicContact CD1-CG 3.99Å; L30-F37 HydrophobicContact CG-CD1 4.37Å; L30-L67 HydrophobicContact CD1-CD1 3.86Å; L30-L67 HydrophobicContact CD1-CD2 3.82Å; L30-L67 HydrophobicContact CD1-CG 4.42Å
31	I	96.2	Very high	94.9	Very high	64 Å²	64	51.4 Å²	51.4	33%	0.328	26%	0.259	S	S	.	.	H	α-helix	trans	-60.1	-43.6	176.7	-68.8	173.4	0	0	0	111.3	I27 H29 G34 F37 P228 P295	I27-I31 HydrophobicContact CG2-CD1 3.6Å; I27-I31 HydrophobicContact CG2-CG1 4.38Å; I27-I31 WeakPolarHBondContact O-CB 3.4Å; I27-I31 VanDerWaalsContact O-CG1 3.25Å; I27-I31 WeakPolarHBondContact O-CG1 3.23Å; I27-I31 PolarHBondContact O-N 2.94Å; H29-I31 PolarHBondContact O-N 3.25Å; I31-G34 PolarHBondContact O-N 3.29Å; I31-F37 HydrophobicContact CG1-CE1 4.31Å; I31-P228 HydrophobicContact CD1-CB 3.71Å; I31-P228 HydrophobicContact CD1-CG 3.65Å; I31-P295 HydrophobicContact CD1-CB 3.57Å; I31-P295 HydrophobicContact CD1-CG 4.2Å; I31-P295 HydrophobicContact CG1-CB 3.55Å
32	K	95.8	Very high	95.5	Very high	175 Å²	175	45 Å²	45	76%	0.761	24%	0.235	S	C	*	.	H	α-helix	trans	-67.2	-34.7	177.6	-74.5	169.5	-175.2	171.7	0	112.7	D28 H29 L30 G34	D28-K32 WeakPolarHBondContact O-CB 3.44Å; D28-K32 WeakPolarHBondContact O-CD 3.47Å; D28-K32 WeakPolarHBondContact O-CG 3.39Å; D28-K32 PolarHBondContact O-N 2.8Å; H29-K32 PolarHBondContact O-N 3.2Å; L30-K32 VanDerWaalsContact C-N 3.33Å; L30-K32 PolarHBondContact O-N 2.85Å; K32-G34 PolarHBondContact O-N 3.21Å
33	A	94.1	Very high	95.6	Very high	58 Å²	58	47.1 Å²	47.1	48%	0.479	24%	0.241	S	C	.	.	H	α-helix	trans	-71.8	-16.8	174.4	0	0	0	0	0	112.8	H29 L30 D35	H29-A33 WeakPolarHBondContact O-CB 3.36Å; H29-A33 PolarHBondContact O-N 3.37Å; L30-A33 PolarHBondContact O-N 3.05Å; A33-D35 VanDerWaalsContact C-N 3.26Å; A33-D35 WeakPolarHBondContact CB-OD2 3.39Å
34	G	92.8	Very high	95.7	Very high	31 Å²	31	47.1 Å²	47.1	32%	0.32	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	-0.2	-174.7	0	0	0	0	0	113.6	L30 I31 K32 R293	L30-G34 PolarHBondContact O-N 2.85Å; I31-G34 PolarHBondContact O-N 3.29Å; K32-G34 PolarHBondContact O-N 3.21Å; G34-R293 PolarHBondContact O-NH1 2.89Å; G34-R293 PolarHBondContact O-NH2 2.84Å
35	D	92.2	Very high	95.5	Very high	86 Å²	86	45.6 Å²	45.6	46%	0.46	24%	0.237	S	C	.	.			trans	-70.1	136.4	-179	-66.5	-27.6	0	0	0	111.2	L30 A33	L30-D35 HydrophobicContact CB-CB 4.39Å; L30-D35 HydrophobicContact CD2-CB 3.85Å; L30-D35 PolarHBondContact O-N 2.91Å; A33-D35 VanDerWaalsContact C-N 3.26Å; A33-D35 WeakPolarHBondContact CB-OD2 3.39Å
36	V	93.3	Very high	95.3	Very high	46 Å²	46	47.8 Å²	47.8	28%	0.279	25%	0.247	S	C	.	.			trans	-98.3	134.8	175.9	-173.4	0	0	0	0	108.8	L287 M317	V36-L287 HydrophobicContact CB-CD2 4.43Å; V36-L287 HydrophobicContact CG1-CD1 4.06Å; V36-L287 HydrophobicContact CG1-CD2 3.37Å; V36-L287 HydrophobicContact CG1-CG 4.35Å; V36-L287 HydrophobicContact CG2-CD2 4.14Å; V36-M317 HydrophobicContact CB-CE 4.32Å; V36-M317 HydrophobicContact CG1-CE 3.61Å; V36-M317 HydrophobicContact CG1-SD 4.07Å
37	F	94.9	Very high	95.1	Very high	14 Å²	14	48.7 Å²	48.7	6%	0.061	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	169.6	174.7	58.9	-87	0	0	0	110.9	I27 L30 I31 L67 I230 S296 L297	I27-F37 HydrophobicContact CB-CZ 4.31Å; I27-F37 HydrophobicContact CG1-CE2 4.24Å; I27-F37 HydrophobicContact CG1-CZ 3.94Å; I27-F37 HydrophobicContact CG2-CE1 4.48Å; I27-F37 HydrophobicContact CG2-CZ 3.94Å; L30-F37 HydrophobicContact CB-CD1 3.85Å; L30-F37 HydrophobicContact CB-CE1 4.09Å; L30-F37 HydrophobicContact CD1-CB 4.15Å; L30-F37 HydrophobicContact CD1-CD1 3.66Å; L30-F37 HydrophobicContact CD1-CE1 4.27Å; L30-F37 HydrophobicContact CD1-CG 3.99Å; L30-F37 HydrophobicContact CG-CD1 4.37Å; I31-F37 HydrophobicContact CG1-CE1 4.31Å; F37-L67 HydrophobicContact CB-CB 4.15Å; F37-L67 HydrophobicContact CB-CD2 4.49Å; F37-L67 HydrophobicContact CD1-CD2 4.26Å; F37-L67 HydrophobicContact CD2-CB 3.72Å; F37-L67 HydrophobicContact CD2-CD2 3.32Å; F37-L67 HydrophobicContact CD2-CG 4.15Å; F37-L67 HydrophobicContact CE1-CD2 4.34Å; F37-L67 HydrophobicContact CE2-CB 4.49Å; F37-L67 HydrophobicContact CE2-CD2 3.42Å; F37-L67 VanDerWaalsContact CE2-CD2 3.42Å; F37-L67 HydrophobicContact CG-CB 4.2Å; F37-L67 HydrophobicContact CG-CD2 3.78Å; F37-L67 HydrophobicContact CZ-CD2 3.95Å; F37-I230 HydrophobicContact CE2-CD1 4.15Å; F37-I230 HydrophobicContact CZ-CD1 4.4Å; F37-S296 WeakPolarHBondContact CD2-OG 3.5Å; F37-S296 WeakPolarHBondContact CE2-OG 3.26Å; F37-S296 VanDerWaalsContact CZ-CB 3.43Å; F37-S296 WeakPolarHBondContact O-CA 3.43Å; F37-S296 VanDerWaalsContact O-CB 3.26Å; F37-S296 WeakPolarHBondContact O-CB 3.49Å; F37-S296 PolarHBondContact O-OG 3.37Å; F37-L297 PolarHBondContact O-N 2.85Å
38	F	97.5	Very high	94.8	Very high	10 Å²	10	54 Å²	54	4%	0.044	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	162.4	172.9	71.2	-81.2	0	0	0	111.9	L40 V64 P66 L67 L297 F299 L312 M317	F38-L40 HydrophobicContact CD2-CD2 3.9Å; F38-L40 HydrophobicContact CD2-CG 4.17Å; F38-L40 HydrophobicContact CE2-CD1 4.19Å; F38-L40 HydrophobicContact CE2-CD2 4.01Å; F38-L40 HydrophobicContact CE2-CG 4.09Å; F38-V64 HydrophobicContact CZ-CG2 3.96Å; F38-P66 HydrophobicContact CD2-CB 4.08Å; F38-P66 HydrophobicContact CE2-CB 3.66Å; F38-P66 HydrophobicContact CE2-CG 4.44Å; F38-P66 HydrophobicContact CZ-CB 4.12Å; F38-P66 WeakPolarHBondContact O-CA 3.26Å; F38-L67 PolarHBondContact O-N 3.41Å; F38-L297 CarbonylContact C-O 3.45Å; F38-L297 WeakPolarHBondContact CA-O 3.48Å; F38-L297 WeakPolarHBondContact CB-O 3.42Å; F38-F299 HydrophobicContact CB-CD2 4.43Å; F38-F299 HydrophobicContact CB-CE2 4.17Å; F38-L312 HydrophobicContact CB-CD2 4.21Å; F38-L312 HydrophobicContact CD1-CD2 3.95Å; F38-L312 HydrophobicContact CD2-CD1 3.96Å; F38-L312 HydrophobicContact CD2-CD2 3.93Å; F38-L312 HydrophobicContact CE1-CD2 4.31Å; F38-L312 HydrophobicContact CE2-CD1 3.64Å; F38-L312 HydrophobicContact CE2-CD2 4.28Å; F38-L312 HydrophobicContact CG-CD2 3.75Å; F38-L312 HydrophobicContact CZ-CD1 4Å; F38-L312 HydrophobicContact CZ-CD2 4.46Å; F38-M317 HydrophobicContact CB-CE 3.93Å; F38-M317 HydrophobicContact CD1-CE 4.02Å; F38-M317 HydrophobicContact CG-CE 4.44Å
39	S	98.3	Very high	94.4	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	163.3	174.6	55.2	0	0	0	0	110.7	F68 L297 H298 F299	S39-F68 VanDerWaalsContact CA-O 3.23Å; S39-F68 WeakPolarHBondContact CA-O 3.47Å; S39-F68 WeakPolarHBondContact CB-O 3.28Å; S39-F68 VanDerWaalsContact OG-CZ 3.22Å; S39-F68 WeakPolarHBondContact OG-CZ 3.28Å; S39-L297 PolarHBondContact N-O 3.4Å; S39-H298 WeakPolarHBondContact OG-CA 3.44Å; S39-H298 WeakPolarHBondContact OG-CB 3.35Å; S39-H298 PolarHBondContact OG-ND1 3.03Å; S39-F299 PolarHBondContact O-N 2.8Å
40	L	98.5	Very high	94.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	130.9	-171.5	-53.5	172.7	0	0	0	110.8	F38 F42 F61 P66 F68 V69 D70 F299 T301 T308	F38-L40 HydrophobicContact CD2-CD2 3.9Å; F38-L40 HydrophobicContact CD2-CG 4.17Å; F38-L40 HydrophobicContact CE2-CD1 4.19Å; F38-L40 HydrophobicContact CE2-CD2 4.01Å; F38-L40 HydrophobicContact CE2-CG 4.09Å; L40-F42 HydrophobicContact CB-CD2 4.29Å; L40-F42 HydrophobicContact CB-CE2 3.49Å; L40-F42 VanDerWaalsContact CB-CE2 3.49Å; L40-F42 HydrophobicContact CB-CZ 3.99Å; L40-F42 HydrophobicContact CD1-CE2 4.03Å; L40-F42 HydrophobicContact CD1-CZ 4Å; L40-F42 HydrophobicContact CG-CE2 4.43Å; L40-F61 HydrophobicContact CD1-CB 3.81Å; L40-F61 HydrophobicContact CD1-CD1 3.34Å; L40-F61 HydrophobicContact CD1-CD2 4.16Å; L40-F61 HydrophobicContact CD1-CE1 3.82Å; L40-F61 HydrophobicContact CD1-CG 3.52Å; L40-F61 HydrophobicContact CD1-CZ 4.4Å; L40-F61 HydrophobicContact CD2-CE1 4.35Å; L40-P66 HydrophobicContact CD1-CB 4.18Å; L40-P66 HydrophobicContact CD1-CG 4.11Å; L40-P66 HydrophobicContact CG-CB 4.17Å; L40-F68 PolarHBondContact N-O 3.23Å; L40-V69 HydrophobicContact CB-CG1 4.22Å; L40-V69 HydrophobicContact CD1-CG1 4.49Å; L40-V69 CarbonylContact O-C 3.6Å; L40-V69 WeakPolarHBondContact O-CA 3.48Å; L40-D70 PolarHBondContact O-N 2.92Å; L40-F299 HydrophobicContact CD2-CB 3.92Å; L40-F299 HydrophobicContact CD2-CD2 4.24Å; L40-F299 HydrophobicContact CD2-CG 4.43Å; L40-T301 HydrophobicContact CB-CG2 4.04Å; L40-T301 HydrophobicContact CD2-CG2 4.07Å; L40-T308 HydrophobicContact CD2-CG2 3.75Å
41	E	98.5	Very high	94.1	Very high	36 Å²	36	49 Å²	49	17%	0.168	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	137.5	171.5	170.9	173.8	122.4	0	0	110.7	D70 T72 H105 H298 F299 Y300 T301	E41-D70 WeakPolarHBondContact CA-OD1 3.22Å; E41-D70 VanDerWaalsContact CB-OD1 3.23Å; E41-D70 WeakPolarHBondContact CB-OD1 3.27Å; E41-D70 WeakPolarHBondContact CG-OD1 3.37Å; E41-T72 VanDerWaalsContact CD-CG2 3.47Å; E41-T72 HydrophobicContact CG-CG2 3.7Å; E41-T72 WeakPolarHBondContact OE1-CG2 3.41Å; E41-H105 IonicContact OE2-CE1 2.77Å; E41-H105 PolarHBondContact OE2-CE1 2.86Å; E41-H105 IonicContact OE2-NE2 3.29Å; E41-H298 WeakPolarHBondContact CB-NE2 3.5Å; E41-H298 PolarHBondContact N-CE1 3.27Å; E41-F299 PolarHBondContact N-O 3Å; E41-Y300 HydrophobicContact CB-CD1 4.08Å; E41-Y300 HydrophobicContact CG-CD1 4.31Å; E41-Y300 WeakPolarHBondContact OE2-CE1 3.33Å; E41-T301 WeakPolarHBondContact O-CB 3.29Å; E41-T301 WeakPolarHBondContact O-CG2 3.47Å; E41-T301 PolarHBondContact O-N 2.94Å; E41-T301 PolarHBondContact O-OG1 3.48Å
42	F	97.8	Very high	93.9	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.009	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	162.2	173.2	-62.2	-84.4	0	0	0	111.2	L40 L54 I58 F61 V69 D70 I71 T72 F94 T301 N303	L40-F42 HydrophobicContact CB-CD2 4.29Å; L40-F42 HydrophobicContact CB-CE2 3.49Å; L40-F42 VanDerWaalsContact CB-CE2 3.49Å; L40-F42 HydrophobicContact CB-CZ 3.99Å; L40-F42 HydrophobicContact CD1-CE2 4.03Å; L40-F42 HydrophobicContact CD1-CZ 4Å; L40-F42 HydrophobicContact CG-CE2 4.43Å; F42-L54 HydrophobicContact CB-CD1 4.38Å; F42-L54 HydrophobicContact CD1-CD1 3.5Å; F42-L54 HydrophobicContact CE1-CD1 4.07Å; F42-L54 HydrophobicContact CG-CD1 4.14Å; F42-I58 HydrophobicContact CD1-CD1 4.01Å; F42-I58 HydrophobicContact CD2-CD1 3.64Å; F42-I58 HydrophobicContact CE1-CD1 3.74Å; F42-I58 HydrophobicContact CE2-CD1 3.31Å; F42-I58 HydrophobicContact CG-CD1 3.97Å; F42-I58 HydrophobicContact CZ-CD1 3.38Å; F42-F61 HydrophobicContact CE1-CD2 4.26Å; F42-F61 HydrophobicContact CE1-CE2 4.11Å; F42-F61 AromaticContact CZ-CD2 3.71Å; F42-F61 HydrophobicContact CZ-CD2 3.71Å; F42-F61 AromaticContact CZ-CE2 3.86Å; F42-F61 HydrophobicContact CZ-CE2 3.86Å; F42-F61 HydrophobicContact CZ-CG 4.43Å; F42-V69 HydrophobicContact CD2-CB 4.4Å; F42-V69 HydrophobicContact CE2-CB 4.39Å; F42-V69 HydrophobicContact CE2-CG1 4.18Å; F42-D70 PolarHBondContact N-O 2.96Å; F42-I71 HydrophobicContact CB-CD1 3.88Å; F42-I71 WeakPolarHBondContact O-CA 3.39Å; F42-T72 PolarHBondContact O-N 3.08Å; F42-F94 HydrophobicContact CB-CE2 4.28Å; F42-F94 AromaticContact CD2-CE2 3.98Å; F42-F94 HydrophobicContact CD2-CE2 3.98Å; F42-F94 HydrophobicContact CG-CE2 4.28Å; F42-T301 VanDerWaalsContact CD1-OG1 3.3Å; F42-T301 WeakPolarHBondContact CD1-OG1 3.18Å; F42-T301 HydrophobicContact CE1-CG2 4.06Å; F42-T301 WeakPolarHBondContact CE1-OG1 3.28Å; F42-T301 HydrophobicContact CZ-CG2 4.04Å; F42-N303 WeakPolarHBondContact CA-OD1 3.32Å; F42-N303 WeakPolarHBondContact CB-OD1 3.42Å; F42-N303 WeakPolarHBondContact CD1-OD1 3.45Å
43	F	95.2	Very high	93.7	Very high	73 Å²	73	43.5 Å²	43.5	32%	0.32	25%	0.245	S	C	.	.			trans	-125.6	144.8	173	64.9	-94.8	0	0	0	111.7	P45 T72 N303	F43-P45 WeakPolarHBondContact O-CD 3.18Å; F43-T72 WeakPolarHBondContact CA-OG1 3.33Å; F43-T72 HydrophobicContact CB-CG2 4.38Å; F43-T72 WeakPolarHBondContact CB-OG1 3.48Å; F43-N303 WeakPolarHBondContact CD2-ND2 3.42Å; F43-N303 HydrophobicContact CE1-CB 4.02Å; F43-N303 WeakPolarHBondContact CE1-ND2 3.39Å; F43-N303 VanDerWaalsContact CE2-ND2 3.3Å; F43-N303 WeakPolarHBondContact CE2-ND2 3.43Å; F43-N303 HydrophobicContact CZ-CB 4.22Å; F43-N303 VanDerWaalsContact CZ-ND2 3.33Å; F43-N303 WeakPolarHBondContact CZ-ND2 3.46Å; F43-N303 PolarHBondContact N-OD1 3.11Å; F43-N303 PolarHBondContact O-ND2 3.4Å; F43-N303 PolarHBondContact O-OD1 3.39Å
44	P	95.2	Very high	93.7	Very high	1 Å²	1	41 Å²	41	1%	0.006	22%	0.223	C	C	.	.			trans	-63.3	119.3	176.9	-21.4	33.2	0	0	0	111.2	I71 R77 N85 V90	P44-I71 HydrophobicContact CG-CG2 3.8Å; P44-R77 PolarHBondContact O-NH2 3.43Å; P44-N85 WeakPolarHBondContact CB-O 3.31Å; P44-V90 HydrophobicContact CB-CG2 3.97Å; P44-V90 HydrophobicContact CG-CG2 4.33Å
45	P	93.6	Very high	93.8	Very high	11 Å²	11	39.8 Å²	39.8	7%	0.071	21%	0.21	C	C	.	.			trans	-66.2	151.4	179.5	-23.2	36.9	0	0	0	112.3	F43 G50 L54 N85	F43-P45 WeakPolarHBondContact O-CD 3.18Å; P45-G50 VanDerWaalsContact CB-C 3.49Å; P45-G50 WeakPolarHBondContact CG-O 3.19Å; P45-L54 HydrophobicContact CG-CB 3.99Å; P45-L54 HydrophobicContact CG-CD2 3.86Å; P45-N85 VanDerWaalsContact O-CB 3.29Å; P45-N85 WeakPolarHBondContact O-CB 3.37Å
46	H	89.9	Confident	93.6	Very high	136 Å²	136	38 Å²	38	63%	0.63	20%	0.196	S	C	*	.	S	Bend	trans	-71.5	-36.5	-177.9	-67.1	-70.8	0	0	0	113.6	R77 N85	H46-R77 PolarHBondContact CE1-NH1 3Å; H46-N85 PolarHBondContact O-ND2 3.47Å; H46-N85 VanDerWaalsContact O-ND2 3.13Å
47	S	90.8	Very high	93.6	Very high	65 Å²	65	37.8 Å²	37.8	46%	0.455	19%	0.192	S	C	.	.	S	Bend	trans	-103.6	153.2	-178.1	64.4	0	0	0	0	111.9	V49 G50 L51	S47-V49 VanDerWaalsContact C-N 3.26Å; S47-V49 PolarHBondContact O-N 3.42Å; S47-G50 WeakPolarHBondContact O-CA 3.47Å; S47-G50 PolarHBondContact O-N 2.98Å; S47-G50 VanDerWaalsContact O-N 3.09Å; S47-G50 PolarHBondContact OG-N 2.86Å; S47-G50 VanDerWaalsContact OG-N 3.1Å; S47-L51 PolarHBondContact O-N 3.07Å
48	E	88.6	Confident	93.6	Very high	112 Å²	112	37.1 Å²	37.1	52%	0.523	19%	0.189	S	C	.	.	H	α-helix	trans	-58.9	-38.2	172.7	-67.5	-172	177.2	0	0	112.3	G50 L51 R52 L385	E48-G50 VanDerWaalsContact C-N 3.3Å; E48-G50 PolarHBondContact O-N 3.34Å; E48-L51 WeakPolarHBondContact O-CB 3.37Å; E48-L51 PolarHBondContact O-N 3.36Å; E48-L51 VanDerWaalsContact O-N 3.09Å; E48-R52 WeakPolarHBondContact O-CG 3.19Å; E48-R52 PolarHBondContact O-N 2.95Å; E48-R52 IonicContact OE2-NH2 3.61Å; E48-L385 HydrophobicContact CB-CD2 4.27Å; E48-L385 HydrophobicContact CG-CD2 4.32Å
49	V	88.5	Confident	93.2	Very high	88 Å²	88	38.8 Å²	38.8	53%	0.533	20%	0.197	S	C	.	.	H	α-helix	trans	-60	-43.9	174.8	178.4	0	0	0	0	110.5	S47 L51 N53	S47-V49 VanDerWaalsContact C-N 3.26Å; S47-V49 PolarHBondContact O-N 3.42Å; V49-L51 VanDerWaalsContact C-N 3.31Å; V49-L51 PolarHBondContact O-N 3.23Å; V49-N53 WeakPolarHBondContact O-CB 3.21Å; V49-N53 VanDerWaalsContact O-CG 3.31Å; V49-N53 PolarHBondContact O-N 3.32Å; V49-N53 PolarHBondContact O-ND2 3.19Å
50	G	91.8	Very high	92.8	Very high	20 Å²	20	42.6 Å²	42.6	21%	0.206	21%	0.211	C	C	.	.	H	α-helix	trans	-60.6	-40.9	173.6	0	0	0	0	0	112.1	P45 S47 E48 N53 L54	P45-G50 VanDerWaalsContact CB-C 3.49Å; P45-G50 WeakPolarHBondContact CG-O 3.19Å; S47-G50 WeakPolarHBondContact O-CA 3.47Å; S47-G50 PolarHBondContact O-N 2.98Å; S47-G50 VanDerWaalsContact O-N 3.09Å; S47-G50 PolarHBondContact OG-N 2.86Å; S47-G50 VanDerWaalsContact OG-N 3.1Å; E48-G50 VanDerWaalsContact C-N 3.3Å; E48-G50 PolarHBondContact O-N 3.34Å; G50-N53 PolarHBondContact O-N 3.34Å; G50-L54 PolarHBondContact O-N 2.88Å
51	L	92.7	Very high	92.5	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-66.1	-46	179.3	-174.5	60.4	0	0	0	112.3	S47 E48 V49 N53 L54 Y55 P84 V90 L385	S47-L51 PolarHBondContact O-N 3.07Å; E48-L51 WeakPolarHBondContact O-CB 3.37Å; E48-L51 PolarHBondContact O-N 3.36Å; E48-L51 VanDerWaalsContact O-N 3.09Å; V49-L51 VanDerWaalsContact C-N 3.31Å; V49-L51 PolarHBondContact O-N 3.23Å; L51-N53 VanDerWaalsContact C-N 3.3Å; L51-N53 PolarHBondContact O-N 2.97Å; L51-L54 WeakPolarHBondContact O-CB 3.46Å; L51-L54 PolarHBondContact O-N 2.99Å; L51-L54 VanDerWaalsContact O-N 3.17Å; L51-Y55 HydrophobicContact CD1-CD2 4.39Å; L51-Y55 HydrophobicContact CD1-CE1 4.17Å; L51-Y55 HydrophobicContact CD1-CE2 3.71Å; L51-Y55 HydrophobicContact CD2-CE2 3.99Å; L51-Y55 HydrophobicContact CG-CD2 4.1Å; L51-Y55 HydrophobicContact CG-CE2 3.48Å; L51-Y55 VanDerWaalsContact CG-CE2 3.48Å; L51-Y55 WeakPolarHBondContact O-CD2 3.45Å; L51-Y55 PolarHBondContact O-N 2.91Å; L51-P84 HydrophobicContact CD2-CB 4.02Å; L51-P84 WeakPolarHBondContact CD2-O 3.28Å; L51-V90 HydrophobicContact CD1-CG2 3.76Å; L51-L385 HydrophobicContact CD2-CD1 4.09Å; L51-L385 HydrophobicContact CD2-CD2 4.26Å
52	R	91.6	Very high	92	Very high	52 Å²	52	41.4 Å²	41.4	20%	0.196	21%	0.207	C	C	.	.	H	α-helix	trans	-59.4	-41.8	173.7	-65.9	-178.4	-173.7	142	15.7	111.5	E48 Y55 R56 E384 L385 V391	E48-R52 WeakPolarHBondContact O-CG 3.19Å; E48-R52 PolarHBondContact O-N 2.95Å; E48-R52 IonicContact OE2-NH2 3.61Å; R52-Y55 PolarHBondContact O-N 3.49Å; R52-R56 PolarHBondContact O-N 3.43Å; R52-E384 PolarHBondContact NE-O 2.98Å; R52-L385 HydrophobicContact CG-CD2 4.35Å; R52-V391 HydrophobicContact CB-CG1 3.38Å; R52-V391 HydrophobicContact CG-CG1 4.21Å
53	N	91.7	Very high	91.4	Very high	72 Å²	72	46.1 Å²	46.1	39%	0.385	23%	0.229	S	C	.	.	H	α-helix	trans	-63.8	-39.9	175.9	-77.3	-27.5	0	0	0	112.5	V49 G50 L51 K57	V49-N53 WeakPolarHBondContact O-CB 3.21Å; V49-N53 VanDerWaalsContact O-CG 3.31Å; V49-N53 PolarHBondContact O-N 3.32Å; V49-N53 PolarHBondContact O-ND2 3.19Å; G50-N53 PolarHBondContact O-N 3.34Å; L51-N53 VanDerWaalsContact C-N 3.3Å; L51-N53 PolarHBondContact O-N 2.97Å; N53-K57 WeakPolarHBondContact O-CG 3.46Å; N53-K57 PolarHBondContact O-N 3.12Å
54	L	94.9	Very high	91	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-61.4	-49.2	174.4	175.2	60	0	0	0	110.8	F42 P45 G50 L51 R56 K57 I58 V90 F94 N303	F42-L54 HydrophobicContact CB-CD1 4.38Å; F42-L54 HydrophobicContact CD1-CD1 3.5Å; F42-L54 HydrophobicContact CE1-CD1 4.07Å; F42-L54 HydrophobicContact CG-CD1 4.14Å; P45-L54 HydrophobicContact CG-CB 3.99Å; P45-L54 HydrophobicContact CG-CD2 3.86Å; G50-L54 PolarHBondContact O-N 2.88Å; L51-L54 WeakPolarHBondContact O-CB 3.46Å; L51-L54 PolarHBondContact O-N 2.99Å; L51-L54 VanDerWaalsContact O-N 3.17Å; L54-R56 VanDerWaalsContact C-N 3.27Å; L54-R56 PolarHBondContact O-N 3.32Å; L54-K57 WeakPolarHBondContact O-CA 3.46Å; L54-K57 WeakPolarHBondContact O-CB 3.48Å; L54-K57 PolarHBondContact O-N 3.3Å; L54-I58 HydrophobicContact CD1-CD1 4.2Å; L54-I58 HydrophobicContact CD1-CG1 3.87Å; L54-I58 HydrophobicContact CG-CG1 4.12Å; L54-I58 VanDerWaalsContact O-CG1 3.27Å; L54-I58 WeakPolarHBondContact O-CG1 3.47Å; L54-I58 PolarHBondContact O-N 3.15Å; L54-V90 HydrophobicContact CD2-CG1 4.41Å; L54-F94 HydrophobicContact CD1-CZ 4.34Å; L54-F94 HydrophobicContact CD2-CE1 4.43Å; L54-F94 HydrophobicContact CD2-CZ 3.98Å; L54-F94 HydrophobicContact CG-CE1 4.43Å; L54-F94 HydrophobicContact CG-CZ 4.08Å; L54-N303 HydrophobicContact CD1-CB 4.42Å
55	Y	93.5	Very high	90.5	Very high	7 Å²	7	44.2 Å²	44.2	3%	0.027	23%	0.228	C	C	.	.	H	α-helix	trans	-57.5	-36.1	-179.6	-72.8	-35	0	0	0	113.8	L51 R52 I58 E59 S93 F94 F98 L385 F386	L51-Y55 HydrophobicContact CD1-CD2 4.39Å; L51-Y55 HydrophobicContact CD1-CE1 4.17Å; L51-Y55 HydrophobicContact CD1-CE2 3.71Å; L51-Y55 HydrophobicContact CD2-CE2 3.99Å; L51-Y55 HydrophobicContact CG-CD2 4.1Å; L51-Y55 HydrophobicContact CG-CE2 3.48Å; L51-Y55 VanDerWaalsContact CG-CE2 3.48Å; L51-Y55 WeakPolarHBondContact O-CD2 3.45Å; L51-Y55 PolarHBondContact O-N 2.91Å; R52-Y55 PolarHBondContact O-N 3.49Å; Y55-I58 PolarHBondContact O-N 2.84Å; Y55-E59 PolarHBondContact O-N 3.32Å; Y55-S93 WeakPolarHBondContact OH-CB 3.35Å; Y55-S93 PolarHBondContact OH-OG 3.37Å; Y55-F94 HydrophobicContact CD1-CD1 4.22Å; Y55-F94 AromaticContact CD1-CE1 3.79Å; Y55-F94 HydrophobicContact CD1-CE1 3.79Å; Y55-F94 AromaticContact CE1-CD1 3.94Å; Y55-F94 HydrophobicContact CE1-CD1 3.94Å; Y55-F94 AromaticContact CE1-CE1 3.67Å; Y55-F94 HydrophobicContact CE1-CE1 3.67Å; Y55-F98 HydrophobicContact CD1-CD2 4.4Å; Y55-F98 AromaticContact CD1-CE2 3.4Å; Y55-F98 HydrophobicContact CD1-CE2 3.4Å; Y55-F98 VanDerWaalsContact CD1-CE2 3.4Å; Y55-F98 AromaticContact CD1-CZ 3.74Å; Y55-F98 HydrophobicContact CD1-CZ 3.74Å; Y55-F98 AromaticContact CE1-CE2 3.99Å; Y55-F98 HydrophobicContact CE1-CE2 3.99Å; Y55-F98 AromaticContact CG-CE2 3.98Å; Y55-F98 HydrophobicContact CG-CE2 3.98Å; Y55-F98 AromaticContact CG-CZ 3.86Å; Y55-F98 HydrophobicContact CG-CZ 3.86Å; Y55-F98 WeakPolarHBondContact O-CE1 3.25Å; Y55-L385 HydrophobicContact CD2-CB 4.49Å; Y55-L385 WeakPolarHBondContact CD2-O 3.35Å; Y55-L385 HydrophobicContact CE2-CB 4.14Å; Y55-F386 HydrophobicContact CD1-CD1 4.47Å; Y55-F386 HydrophobicContact CD1-CE1 4.32Å; Y55-F386 AromaticContact CD2-CD1 3.65Å; Y55-F386 HydrophobicContact CD2-CD1 3.65Å; Y55-F386 AromaticContact CD2-CE1 3.71Å; Y55-F386 HydrophobicContact CD2-CE1 3.71Å; Y55-F386 AromaticContact CE1-CE1 3.99Å; Y55-F386 HydrophobicContact CE1-CE1 3.99Å; Y55-F386 AromaticContact CE2-CD1 3.73Å; Y55-F386 HydrophobicContact CE2-CD1 3.73Å; Y55-F386 AromaticContact CE2-CE1 3.27Å; Y55-F386 HydrophobicContact CE2-CE1 3.27Å; Y55-F386 HydrophobicContact CE2-CZ 4.09Å; Y55-F386 HydrophobicContact CG-CD1 4.04Å; Y55-F386 HydrophobicContact CG-CE1 4.22Å; Y55-F386 AromaticContact CZ-CE1 3.46Å; Y55-F386 VanDerWaalsContact CZ-CE1 3.46Å
56	R	89.6	Confident	90.6	Very high	48 Å²	48	44.2 Å²	44.2	18%	0.181	23%	0.228	C	C	.	.	H	α-helix	trans	-66.6	-36.2	173.2	-69.9	172	62.1	99.9	5	113.7	R52 L54 S388 Y432	R52-R56 PolarHBondContact O-N 3.43Å; L54-R56 VanDerWaalsContact C-N 3.27Å; L54-R56 PolarHBondContact O-N 3.32Å; R56-S388 PolarHBondContact NH1-O 3.34Å; R56-Y432 PolarHBondContact NH2-OH 3.37Å
57	K	93.1	Very high	90.7	Very high	41 Å²	41	39 Å²	39	18%	0.178	21%	0.205	C	C	.	.	H	α-helix	trans	-68.7	-41.4	175.2	-63.4	175.5	-170.4	-173.4	0	109.9	N53 L54 E59 R60 F61 N303 E305	N53-K57 WeakPolarHBondContact O-CG 3.46Å; N53-K57 PolarHBondContact O-N 3.12Å; L54-K57 WeakPolarHBondContact O-CA 3.46Å; L54-K57 WeakPolarHBondContact O-CB 3.48Å; L54-K57 PolarHBondContact O-N 3.3Å; K57-E59 VanDerWaalsContact C-N 3.35Å; K57-E59 PolarHBondContact O-N 2.79Å; K57-R60 PolarHBondContact O-N 3.44Å; K57-F61 VanDerWaalsContact O-CD2 3.26Å; K57-F61 WeakPolarHBondContact O-CD2 3.42Å; K57-F61 PolarHBondContact O-N 2.81Å; K57-N303 VanDerWaalsContact CD-O 3.25Å; K57-N303 WeakPolarHBondContact CD-O 3.43Å; K57-N303 PolarHBondContact NZ-O 2.94Å; K57-E305 HydrophobicContact CB-CB 4.38Å; K57-E305 HydrophobicContact CD-CB 4.18Å; K57-E305 HydrophobicContact CG-CB 4.13Å
58	I	93.5	Very high	91	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.7	-38.2	-180	-66.2	-71.5	0	0	0	112	F42 L54 Y55 R60 F61 A62 F94 F98 L100	F42-I58 HydrophobicContact CD1-CD1 4.01Å; F42-I58 HydrophobicContact CD2-CD1 3.64Å; F42-I58 HydrophobicContact CE1-CD1 3.74Å; F42-I58 HydrophobicContact CE2-CD1 3.31Å; F42-I58 HydrophobicContact CG-CD1 3.97Å; F42-I58 HydrophobicContact CZ-CD1 3.38Å; L54-I58 HydrophobicContact CD1-CD1 4.2Å; L54-I58 HydrophobicContact CD1-CG1 3.87Å; L54-I58 HydrophobicContact CG-CG1 4.12Å; L54-I58 VanDerWaalsContact O-CG1 3.27Å; L54-I58 WeakPolarHBondContact O-CG1 3.47Å; L54-I58 PolarHBondContact O-N 3.15Å; Y55-I58 PolarHBondContact O-N 2.84Å; I58-R60 VanDerWaalsContact C-N 3.29Å; I58-R60 PolarHBondContact O-N 3.35Å; I58-F61 PolarHBondContact O-N 3.19Å; I58-A62 VanDerWaalsContact O-CB 3.29Å; I58-A62 WeakPolarHBondContact O-CB 3.28Å; I58-A62 PolarHBondContact O-N 2.66Å; I58-F94 HydrophobicContact CB-CE1 4.22Å; I58-F94 HydrophobicContact CB-CZ 4.37Å; I58-F94 HydrophobicContact CD1-CD2 4.25Å; I58-F94 HydrophobicContact CD1-CE1 4.01Å; I58-F94 HydrophobicContact CD1-CE2 3.4Å; I58-F94 HydrophobicContact CD1-CZ 3.29Å; I58-F94 HydrophobicContact CG1-CD1 4.41Å; I58-F94 HydrophobicContact CG1-CE1 3.58Å; I58-F94 HydrophobicContact CG1-CE2 3.96Å; I58-F94 HydrophobicContact CG1-CZ 3.32Å; I58-F94 HydrophobicContact CG2-CD1 4.03Å; I58-F94 HydrophobicContact CG2-CE1 4.03Å; I58-F94 HydrophobicContact CG2-CG 4.36Å; I58-F94 HydrophobicContact CG2-CZ 4.33Å; I58-F98 HydrophobicContact CG2-CB 3.8Å; I58-F98 HydrophobicContact CG2-CD1 3.88Å; I58-F98 HydrophobicContact CG2-CD2 3.97Å; I58-F98 HydrophobicContact CG2-CG 3.58Å; I58-L100 HydrophobicContact CG2-CD1 3.61Å
59	E	89	Confident	91.4	Very high	45 Å²	45	30.7 Å²	30.7	21%	0.21	16%	0.159	C	C	.	.	H	α-helix	trans	-53.8	-46.5	172.1	-171.6	168.6	-134.7	0	0	111.6	Y55 K57 A62 E63 F98 K352	Y55-E59 PolarHBondContact O-N 3.32Å; K57-E59 VanDerWaalsContact C-N 3.35Å; K57-E59 PolarHBondContact O-N 2.79Å; E59-A62 PolarHBondContact O-N 3.14Å; E59-E63 PolarHBondContact O-N 3Å; E59-F98 HydrophobicContact CB-CD1 4.25Å; E59-F98 HydrophobicContact CB-CE1 4.09Å; E59-K352 IonicContact OE1-NZ 3.86Å; E59-K352 PolarHBondContact OE1-NZ 3.23Å; E59-K352 IonicContact OE2-NZ 3.7Å
60	R	89.9	Confident	91.8	Very high	81 Å²	81	26.5 Å²	26.5	31%	0.306	13%	0.133	S	C	.	.	H	α-helix	trans	-70	-37.6	177.8	-66.5	-177.9	-71.3	-105.3	1.4	113.4	K57 I58 A62 E63 E305	K57-R60 PolarHBondContact O-N 3.44Å; I58-R60 VanDerWaalsContact C-N 3.29Å; I58-R60 PolarHBondContact O-N 3.35Å; R60-A62 VanDerWaalsContact C-N 3.31Å; R60-E63 WeakPolarHBondContact O-CB 3.19Å; R60-E63 PolarHBondContact O-N 3.49Å; R60-E305 WeakPolarHBondContact CD-OE1 3.3Å; R60-E305 IonicContact CZ-OE1 2.98Å; R60-E305 IonicContact CZ-OE2 3.94Å; R60-E305 IonicContact NE-OE1 2.76Å; R60-E305 PolarHBondContact NE-OE1 2.86Å; R60-E305 IonicContact NE-OE2 3.7Å; R60-E305 PolarHBondContact NE-OE2 3.4Å; R60-E305 IonicContact NH2-OE2 3.45Å; R60-E305 PolarHBondContact NH2-OE2 2.84Å
61	F	93	Very high	92.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-67.8	-32.5	173.2	-77.8	-63.9	0	0	0	112.2	L40 F42 K57 I58 E63 V64 G65 P66 E305 T308 W318	L40-F61 HydrophobicContact CD1-CB 3.81Å; L40-F61 HydrophobicContact CD1-CD1 3.34Å; L40-F61 HydrophobicContact CD1-CD2 4.16Å; L40-F61 HydrophobicContact CD1-CE1 3.82Å; L40-F61 HydrophobicContact CD1-CG 3.52Å; L40-F61 HydrophobicContact CD1-CZ 4.4Å; L40-F61 HydrophobicContact CD2-CE1 4.35Å; F42-F61 HydrophobicContact CE1-CD2 4.26Å; F42-F61 HydrophobicContact CE1-CE2 4.11Å; F42-F61 AromaticContact CZ-CD2 3.71Å; F42-F61 HydrophobicContact CZ-CD2 3.71Å; F42-F61 AromaticContact CZ-CE2 3.86Å; F42-F61 HydrophobicContact CZ-CE2 3.86Å; F42-F61 HydrophobicContact CZ-CG 4.43Å; K57-F61 VanDerWaalsContact O-CD2 3.26Å; K57-F61 WeakPolarHBondContact O-CD2 3.42Å; K57-F61 PolarHBondContact O-N 2.81Å; I58-F61 PolarHBondContact O-N 3.19Å; F61-E63 VanDerWaalsContact C-N 3.25Å; F61-E63 PolarHBondContact O-N 2.83Å; F61-V64 WeakPolarHBondContact O-CG2 3.31Å; F61-V64 PolarHBondContact O-N 2.86Å; F61-G65 PolarHBondContact O-N 3.36Å; F61-P66 WeakPolarHBondContact O-CD 3.47Å; F61-E305 HydrophobicContact CE2-CB 3.98Å; F61-E305 HydrophobicContact CE2-CG 3.91Å; F61-E305 HydrophobicContact CZ-CB 4.18Å; F61-E305 HydrophobicContact CZ-CG 3.92Å; F61-T308 HydrophobicContact CE1-CG2 4.09Å; F61-T308 HydrophobicContact CZ-CG2 4.3Å; F61-W318 AromaticContact CD1-CH2 3.9Å; F61-W318 HydrophobicContact CD1-CH2 3.9Å; F61-W318 AromaticContact CD1-CZ3 3.66Å; F61-W318 HydrophobicContact CD1-CZ3 3.66Å; F61-W318 HydrophobicContact CE1-CH2 4.12Å; F61-W318 AromaticContact CE1-CZ3 3.65Å; F61-W318 HydrophobicContact CE1-CZ3 3.65Å
62	A	88.7	Confident	92.3	Very high	10 Å²	10	26.8 Å²	26.8	8%	0.083	13%	0.131	C	C	.	.	H	α-helix	trans	-67.2	-25.9	177.6	0	0	0	0	0	113.1	I58 E59 R60 V64 L100 I321 K329	I58-A62 VanDerWaalsContact O-CB 3.29Å; I58-A62 WeakPolarHBondContact O-CB 3.28Å; I58-A62 PolarHBondContact O-N 2.66Å; E59-A62 PolarHBondContact O-N 3.14Å; R60-A62 VanDerWaalsContact C-N 3.31Å; A62-V64 VanDerWaalsContact C-N 3.32Å; A62-L100 HydrophobicContact CB-CD1 4.45Å; A62-L100 HydrophobicContact CB-CD2 3.93Å; A62-L100 HydrophobicContact CB-CG 4.28Å; A62-I321 WeakPolarHBondContact O-CD1 3.39Å; A62-K329 PolarHBondContact O-NZ 2.86Å
63	E	84	Confident	92.3	Very high	101 Å²	101	25.4 Å²	25.4	47%	0.472	13%	0.126	S	C	.	.	H	α-helix	trans	-66.2	-29.5	173.7	-66.8	179.4	164.6	0	0	112.8	E59 R60 F61 I321 K441	E59-E63 PolarHBondContact O-N 3Å; R60-E63 WeakPolarHBondContact O-CB 3.19Å; R60-E63 PolarHBondContact O-N 3.49Å; F61-E63 VanDerWaalsContact C-N 3.25Å; F61-E63 PolarHBondContact O-N 2.83Å; E63-I321 PolarHBondContact O-N 3.36Å; E63-K441 IonicContact OE1-NZ 3.09Å
64	V	87	Confident	91.6	Very high	11 Å²	11	23.5 Å²	23.5	7%	0.067	12%	0.119	C	C	.	.	S	Bend	trans	-102.5	0.1	-178.2	-63.7	0	0	0	0	115	F38 F61 A62 W318 Q319	F38-V64 HydrophobicContact CZ-CG2 3.96Å; F61-V64 WeakPolarHBondContact O-CG2 3.31Å; F61-V64 PolarHBondContact O-N 2.86Å; A62-V64 VanDerWaalsContact C-N 3.32Å; V64-W318 HydrophobicContact CB-CD2 4.33Å; V64-W318 HydrophobicContact CB-CE3 4.44Å; V64-W318 HydrophobicContact CG1-CD2 3.64Å; V64-W318 HydrophobicContact CG1-CE3 4.19Å; V64-W318 HydrophobicContact CG1-CG 3.94Å; V64-W318 HydrophobicContact CG1-CH2 4.29Å; V64-W318 HydrophobicContact CG1-CZ2 3.73Å; V64-W318 HydrophobicContact CG1-CZ3 4.49Å; V64-W318 HydrophobicContact CG2-CD2 4.18Å; V64-W318 HydrophobicContact CG2-CE3 3.84Å; V64-W318 HydrophobicContact CG2-CH2 3.84Å; V64-W318 HydrophobicContact CG2-CZ2 4.15Å; V64-W318 HydrophobicContact CG2-CZ3 3.68Å; V64-Q319 VanDerWaalsContact CA-O 3.29Å; V64-Q319 WeakPolarHBondContact CA-O 3.39Å; V64-Q319 WeakPolarHBondContact CB-O 3.48Å
65	G	85.8	Confident	90.3	Very high	24 Å²	24	26.7 Å²	26.7	25%	0.247	14%	0.138	C	C	.	.			trans	64.2	60.8	165.2	0	0	0	0	0	117	F61 L67 I321	F61-G65 PolarHBondContact O-N 3.36Å; G65-L67 PolarHBondContact O-N 3.5Å; G65-I321 VanDerWaalsContact CA-CG1 3.48Å
66	P	94.1	Very high	88.9	Confident	10 Å²	10	36.6 Å²	36.6	7%	0.065	18%	0.175	C	C	.	.			trans	-53.5	141.1	160.9	27.2	-35.1	0	0	0	109.8	F38 L40 F61 F68 V69 L100	F38-P66 HydrophobicContact CD2-CB 4.08Å; F38-P66 HydrophobicContact CE2-CB 3.66Å; F38-P66 HydrophobicContact CE2-CG 4.44Å; F38-P66 HydrophobicContact CZ-CB 4.12Å; F38-P66 WeakPolarHBondContact O-CA 3.26Å; L40-P66 HydrophobicContact CD1-CB 4.18Å; L40-P66 HydrophobicContact CD1-CG 4.11Å; L40-P66 HydrophobicContact CG-CB 4.17Å; F61-P66 WeakPolarHBondContact O-CD 3.47Å; P66-F68 PolarHBondContact O-N 3.42Å; P66-V69 HydrophobicContact CB-CG1 4.27Å; P66-V69 HydrophobicContact CG-CG1 3.77Å; P66-L100 HydrophobicContact CG-CD2 4.12Å
67	L	93.7	Very high	88.1	Confident	28 Å²	28	38 Å²	38	15%	0.147	18%	0.181	C	C	.	.	S	Bend	trans	-60.3	-39.3	179.2	179.6	63.8	0	0	0	110.9	L23 I27 L30 F37 F38 G65	L23-L67 HydrophobicContact CD1-CD2 4Å; L23-L67 HydrophobicContact CD1-CG 3.91Å; I27-L67 HydrophobicContact CG1-CD2 3.65Å; L30-L67 HydrophobicContact CD1-CD1 3.86Å; L30-L67 HydrophobicContact CD1-CD2 3.82Å; L30-L67 HydrophobicContact CD1-CG 4.42Å; F37-L67 HydrophobicContact CB-CB 4.15Å; F37-L67 HydrophobicContact CB-CD2 4.49Å; F37-L67 HydrophobicContact CD1-CD2 4.26Å; F37-L67 HydrophobicContact CD2-CB 3.72Å; F37-L67 HydrophobicContact CD2-CD2 3.32Å; F37-L67 HydrophobicContact CD2-CG 4.15Å; F37-L67 HydrophobicContact CE1-CD2 4.34Å; F37-L67 HydrophobicContact CE2-CB 4.49Å; F37-L67 HydrophobicContact CE2-CD2 3.42Å; F37-L67 VanDerWaalsContact CE2-CD2 3.42Å; F37-L67 HydrophobicContact CG-CB 4.2Å; F37-L67 HydrophobicContact CG-CD2 3.78Å; F37-L67 HydrophobicContact CZ-CD2 3.95Å; F38-L67 PolarHBondContact O-N 3.41Å; G65-L67 PolarHBondContact O-N 3.5Å
68	F	95.9	Very high	87.4	Confident	1 Å²	1	40.9 Å²	40.9	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	160.2	170.1	66.2	-91.1	0	0	0	110.2	L23 S39 L40 P66 D101 V103 F201 I203 I230	L23-F68 HydrophobicContact CD1-CB 4.37Å; L23-F68 HydrophobicContact CD1-CD1 4Å; L23-F68 HydrophobicContact CD2-CB 4.09Å; L23-F68 HydrophobicContact CD2-CD1 3.91Å; L23-F68 HydrophobicContact CD2-CG 4.01Å; S39-F68 VanDerWaalsContact CA-O 3.23Å; S39-F68 WeakPolarHBondContact CA-O 3.47Å; S39-F68 WeakPolarHBondContact CB-O 3.28Å; S39-F68 VanDerWaalsContact OG-CZ 3.22Å; S39-F68 WeakPolarHBondContact OG-CZ 3.28Å; L40-F68 PolarHBondContact N-O 3.23Å; P66-F68 PolarHBondContact O-N 3.42Å; F68-D101 CarbonylContact C-O 3.59Å; F68-D101 VanDerWaalsContact CA-O 3.28Å; F68-D101 WeakPolarHBondContact CA-O 3.28Å; F68-D101 HydrophobicContact CB-CB 4.35Å; F68-V103 HydrophobicContact CB-CG2 3.97Å; F68-V103 HydrophobicContact CD2-CB 4.35Å; F68-V103 HydrophobicContact CD2-CG2 3.35Å; F68-V103 HydrophobicContact CE2-CG2 3.97Å; F68-V103 HydrophobicContact CG-CG2 3.8Å; F68-F201 HydrophobicContact CE1-CE2 4.33Å; F68-F201 HydrophobicContact CE1-CZ 4.28Å; F68-F201 HydrophobicContact CZ-CE2 4.01Å; F68-F201 HydrophobicContact CZ-CZ 4.14Å; F68-I203 HydrophobicContact CE2-CD1 4.19Å; F68-I203 HydrophobicContact CZ-CD1 4.12Å; F68-I230 HydrophobicContact CE1-CD1 4.18Å; F68-I230 HydrophobicContact CZ-CD1 4.31Å
69	V	97.5	Very high	86.8	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	148.7	164.9	-60	0	0	0	0	108.6	L40 F42 P66 F94 L100 D101 V102 V103	L40-V69 HydrophobicContact CB-CG1 4.22Å; L40-V69 HydrophobicContact CD1-CG1 4.49Å; L40-V69 CarbonylContact O-C 3.6Å; L40-V69 WeakPolarHBondContact O-CA 3.48Å; F42-V69 HydrophobicContact CD2-CB 4.4Å; F42-V69 HydrophobicContact CE2-CB 4.39Å; F42-V69 HydrophobicContact CE2-CG1 4.18Å; P66-V69 HydrophobicContact CB-CG1 4.27Å; P66-V69 HydrophobicContact CG-CG1 3.77Å; V69-F94 HydrophobicContact CG2-CD2 3.66Å; V69-F94 HydrophobicContact CG2-CE2 4.35Å; V69-L100 HydrophobicContact CG1-CD1 4.02Å; V69-L100 HydrophobicContact CG2-CB 4.02Å; V69-L100 HydrophobicContact CG2-CD1 3.95Å; V69-D101 PolarHBondContact N-O 3.15Å; V69-V102 HydrophobicContact CG2-CG2 4.1Å; V69-V102 CarbonylContact O-C 3.58Å; V69-V102 VanDerWaalsContact O-CA 3.32Å; V69-V102 WeakPolarHBondContact O-CA 3.23Å; V69-V103 PolarHBondContact O-N 3.36Å
70	D	97.8	Very high	86.3	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	153.9	171.8	71.7	71.4	0	0	0	113.4	L40 E41 F42 V103 H105 H298	L40-D70 PolarHBondContact O-N 2.92Å; E41-D70 WeakPolarHBondContact CA-OD1 3.22Å; E41-D70 VanDerWaalsContact CB-OD1 3.23Å; E41-D70 WeakPolarHBondContact CB-OD1 3.27Å; E41-D70 WeakPolarHBondContact CG-OD1 3.37Å; F42-D70 PolarHBondContact N-O 2.96Å; D70-V103 CarbonylContact C-O 3.55Å; D70-V103 WeakPolarHBondContact CA-O 3.48Å; D70-V103 HydrophobicContact CB-CB 3.8Å; D70-V103 WeakPolarHBondContact CB-O 3.39Å; D70-H105 IonicContact OD1-CD2 2.69Å; D70-H105 IonicContact OD1-CE1 2.93Å; D70-H105 IonicContact OD1-NE2 3.87Å; D70-H105 PolarHBondContact OD1-NE2 2.8Å; D70-H298 IonicContact OD2-CE1 3.29Å; D70-H298 PolarHBondContact OD2-CE1 3.38Å; D70-H298 IonicContact OD2-ND1 2.91Å; D70-H298 IonicContact OD2-NE2 2.95Å
71	I	97.3	Very high	86	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	121	179.5	-58.8	-56.4	0	0	0	108.8	F42 P44 V90 A91 F94 V102 V103 H105	F42-I71 HydrophobicContact CB-CD1 3.88Å; F42-I71 WeakPolarHBondContact O-CA 3.39Å; P44-I71 HydrophobicContact CG-CG2 3.8Å; I71-V90 HydrophobicContact CD1-CG1 3.96Å; I71-V90 HydrophobicContact CG1-CG1 4.41Å; I71-A91 HydrophobicContact CG1-CB 4.18Å; I71-F94 HydrophobicContact CD1-CD2 3.58Å; I71-F94 HydrophobicContact CD1-CE2 3.17Å; I71-F94 HydrophobicContact CD1-CZ 3.85Å; I71-F94 HydrophobicContact CG1-CD2 4.17Å; I71-F94 HydrophobicContact CG1-CE2 4.23Å; I71-V102 HydrophobicContact CG1-CG1 4.19Å; I71-V103 PolarHBondContact N-O 3.16Å; I71-H105 PolarHBondContact O-N 3.05Å
72	T	96	Very high	85.5	Confident	27 Å²	27	41.3 Å²	41.3	17%	0.166	21%	0.208	C	C	.	.			trans	-63.6	156.7	177.1	62	0	0	0	0	112.7	E41 F42 F43 S87	E41-T72 VanDerWaalsContact CD-CG2 3.47Å; E41-T72 HydrophobicContact CG-CG2 3.7Å; E41-T72 WeakPolarHBondContact OE1-CG2 3.41Å; F42-T72 PolarHBondContact O-N 3.08Å; F43-T72 WeakPolarHBondContact CA-OG1 3.33Å; F43-T72 HydrophobicContact CB-CG2 4.38Å; F43-T72 WeakPolarHBondContact CB-OG1 3.48Å; T72-S87 WeakPolarHBondContact O-CB 3.22Å; T72-S87 PolarHBondContact O-OG 2.83Å
73	W	91.9	Very high	85.5	Confident	24 Å²	24	46.5 Å²	46.5	9%	0.091	23%	0.231	C	C	.	.			trans	-124	125.5	-178.3	-174.9	-76.1	0	0	0	110	A80 I88 V104 H105 L106 Y119 I123	W73-A80 HydrophobicContact CH2-CB 3.59Å; W73-A80 HydrophobicContact CZ2-CB 3.95Å; W73-I88 HydrophobicContact CH2-CD1 4.36Å; W73-I88 HydrophobicContact CZ3-CD1 4.28Å; W73-I88 HydrophobicContact CZ3-CG1 4.07Å; W73-V104 HydrophobicContact CE3-CG1 3.87Å; W73-V104 HydrophobicContact CZ3-CG1 4.11Å; W73-H105 HydrophobicContact CB-CB 3.64Å; W73-H105 WeakPolarHBondContact CB-O 3.28Å; W73-L106 HydrophobicContact CD2-CD1 4.49Å; W73-L106 HydrophobicContact CH2-CD1 4.09Å; W73-L106 HydrophobicContact CZ2-CD1 4.01Å; W73-L106 HydrophobicContact CZ3-CD1 4.39Å; W73-Y119 HydrophobicContact CH2-CD1 4.42Å; W73-Y119 HydrophobicContact CH2-CD2 4.34Å; W73-Y119 HydrophobicContact CH2-CG 4.04Å; W73-Y119 HydrophobicContact CZ2-CD1 4.41Å; W73-Y119 AromaticContact CZ2-CD2 3.81Å; W73-Y119 HydrophobicContact CZ2-CD2 3.81Å; W73-Y119 HydrophobicContact CZ2-CE2 4.16Å; W73-Y119 AromaticContact CZ2-CG 3.96Å; W73-Y119 HydrophobicContact CZ2-CG 3.96Å; W73-I123 HydrophobicContact CZ3-CD1 4.27Å
74	S	78.3	Confident	85.6	Confident	32 Å²	32	44.1 Å²	44.1	22%	0.224	23%	0.225	C	C	.	.			trans	-112.5	120.8	177.3	-171.7	0	0	0	0	110.3	R76 R77 S79	S74-R76 PolarHBondContact O-N 2.77Å; S74-R77 PolarHBondContact O-N 2.91Å; S74-S79 PolarHBondContact N-OG 3.02Å; S74-S79 PolarHBondContact O-OG 2.93Å
75	V	66.4	Low	85.7	Confident	71 Å²	71	45.8 Å²	45.8	43%	0.43	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-26.1	173.5	-173.6	0	0	0	0	111.5	R77 T107	V75-R77 PolarHBondContact O-N 2.89Å; V75-T107 WeakPolarHBondContact CG2-OG1 3.09Å
76	R	65.1	Low	86	Confident	215 Å²	215	44.9 Å²	44.9	81%	0.811	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-8.5	177.5	-61.5	-172.7	-176.8	-161.8	2.5	113.1	S74	S74-R76 PolarHBondContact O-N 2.77Å
77	R	71.4	Confident	86.1	Confident	78 Å²	78	44.4 Å²	44.4	29%	0.294	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.7	159.4	177.5	-61.1	-157.1	-64.2	-91	14	109.7	P44 H46 S74 V75 S79	P44-R77 PolarHBondContact O-NH2 3.43Å; H46-R77 PolarHBondContact CE1-NH1 3Å; S74-R77 PolarHBondContact O-N 2.91Å; V75-R77 PolarHBondContact O-N 2.89Å; R77-S79 PolarHBondContact O-N 3.4Å
78	D	78.3	Confident	86.1	Confident	101 Å²	101	43.2 Å²	43.2	54%	0.54	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	70.4	168.5	-170.8	14.3	0	0	0	110.5	A80 G81 S86	D78-A80 PolarHBondContact O-N 2.96Å; D78-G81 PolarHBondContact O-N 2.99Å; D78-G81 VanDerWaalsContact O-N 3.08Å; D78-G81 WeakPolarHBondContact OD1-CA 3.05Å; D78-G81 PolarHBondContact OD1-N 2.95Å; D78-G81 WeakPolarHBondContact OD2-CA 3.45Å; D78-S86 WeakPolarHBondContact O-CB 3.48Å
79	S	82.5	Confident	85.9	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.021	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.2	179.9	-63.6	0	0	0	0	112.4	S74 R77 S87 I88	S74-S79 PolarHBondContact N-OG 3.02Å; S74-S79 PolarHBondContact O-OG 2.93Å; R77-S79 PolarHBondContact O-N 3.4Å; S79-S87 PolarHBondContact O-N 3.29Å; S79-S87 VanDerWaalsContact O-N 3.14Å; S79-I88 PolarHBondContact O-N 3.43Å
80	A	78.4	Confident	85.8	Confident	2 Å²	2	43.7 Å²	43.7	2%	0.017	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	3.7	177.1	0	0	0	0	0	113.9	W73 D78 I88 Y119 K122	W73-A80 HydrophobicContact CH2-CB 3.59Å; W73-A80 HydrophobicContact CZ2-CB 3.95Å; D78-A80 PolarHBondContact O-N 2.96Å; A80-I88 HydrophobicContact CB-CD1 4.04Å; A80-Y119 HydrophobicContact CB-CD1 3.36Å; A80-Y119 HydrophobicContact CB-CE1 3.47Å; A80-Y119 VanDerWaalsContact CB-CE1 3.47Å; A80-Y119 HydrophobicContact CB-CG 4.21Å; A80-K122 HydrophobicContact CB-CD 4.26Å; A80-K122 WeakPolarHBondContact O-CD 3.31Å; A80-K122 PolarHBondContact O-NZ 2.84Å
81	G	82	Confident	85.6	Confident	2 Å²	2	43.7 Å²	43.7	2%	0.021	22%	0.217	C	C	.	.	S	Bend	trans	-78.4	174.9	-178.4	0	0	0	0	0	113.1	D78 Q83 S86	D78-G81 PolarHBondContact O-N 2.99Å; D78-G81 VanDerWaalsContact O-N 3.08Å; D78-G81 WeakPolarHBondContact OD1-CA 3.05Å; D78-G81 PolarHBondContact OD1-N 2.95Å; D78-G81 WeakPolarHBondContact OD2-CA 3.45Å; G81-Q83 VanDerWaalsContact C-N 3.34Å; G81-S86 WeakPolarHBondContact O-CB 3.34Å; G81-S86 PolarHBondContact O-OG 2.98Å
82	D	83.2	Confident	85.3	Confident	127 Å²	127	48 Å²	48	68%	0.679	23%	0.233	S	C	*	.	S	Bend	trans	-92	3.6	177.1	-63	-54.9	0	0	0	113.1
83	Q	88.2	Confident	85.2	Confident	120 Å²	120	47.6 Å²	47.6	56%	0.561	23%	0.231	S	C	*	.	S	Bend	trans	-58.8	145.1	174.6	-65.3	-59.5	-37.4	0	0	110.7	G81 N85 S86 S89	G81-Q83 VanDerWaalsContact C-N 3.34Å; Q83-N85 PolarHBondContact O-N 2.95Å; Q83-N85 VanDerWaalsContact O-N 3.09Å; Q83-S86 WeakPolarHBondContact O-CB 3.21Å; Q83-S86 PolarHBondContact O-N 3.33Å; Q83-S86 PolarHBondContact O-OG 3.03Å; Q83-S89 WeakPolarHBondContact O-CB 3.35Å; Q83-S89 PolarHBondContact O-OG 3.11Å
84	P	86.1	Confident	85.2	Confident	51 Å²	51	46.4 Å²	46.4	33%	0.331	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-27.1	-177	-24.4	33	0	0	0	114.3	L51 L385	L51-P84 HydrophobicContact CD2-CB 4.02Å; L51-P84 WeakPolarHBondContact CD2-O 3.28Å; P84-L385 HydrophobicContact CB-CD1 3.54Å; P84-L385 HydrophobicContact CG-CD1 4.19Å
85	N	89.7	Confident	85.8	Confident	46 Å²	46	46 Å²	46	25%	0.246	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	16.4	178.4	67.4	-10.3	0	0	0	113.8	P44 P45 H46 Q83	P44-N85 WeakPolarHBondContact CB-O 3.31Å; P45-N85 VanDerWaalsContact O-CB 3.29Å; P45-N85 WeakPolarHBondContact O-CB 3.37Å; H46-N85 PolarHBondContact O-ND2 3.47Å; H46-N85 VanDerWaalsContact O-ND2 3.13Å; Q83-N85 PolarHBondContact O-N 2.95Å; Q83-N85 VanDerWaalsContact O-N 3.09Å
86	S	93.1	Very high	86.7	Confident	4 Å²	4	44 Å²	44	3%	0.028	21%	0.207	C	C	.	.	S	Bend	trans	-71.8	153.6	167	82.3	0	0	0	0	110.4	D78 G81 Q83 I88 S89 V90	D78-S86 WeakPolarHBondContact O-CB 3.48Å; G81-S86 WeakPolarHBondContact O-CB 3.34Å; G81-S86 PolarHBondContact O-OG 2.98Å; Q83-S86 WeakPolarHBondContact O-CB 3.21Å; Q83-S86 PolarHBondContact O-N 3.33Å; Q83-S86 PolarHBondContact O-OG 3.03Å; S86-I88 VanDerWaalsContact C-N 3.25Å; S86-I88 PolarHBondContact O-N 3.24Å; S86-S89 PolarHBondContact O-N 3.44Å; S86-S89 WeakPolarHBondContact OG-CB 3.47Å; S86-S89 PolarHBondContact OG-N 2.93Å; S86-S89 PolarHBondContact OG-OG 3.2Å; S86-S89 VanDerWaalsContact OG-OG 3.04Å; S86-V90 WeakPolarHBondContact O-CG2 3.46Å; S86-V90 PolarHBondContact O-N 3.38Å
87	S	94.6	Very high	87.8	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-59	-39.7	177.7	-57.5	0	0	0	0	111.5	T72 S79 A91	T72-S87 WeakPolarHBondContact O-CB 3.22Å; T72-S87 PolarHBondContact O-OG 2.83Å; S79-S87 PolarHBondContact O-N 3.29Å; S79-S87 VanDerWaalsContact O-N 3.14Å; S87-A91 WeakPolarHBondContact O-CB 3.38Å; S87-A91 PolarHBondContact O-N 3.1Å
88	I	93.6	Very high	88.6	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.015	16%	0.16	C	C	.	.	H	α-helix	trans	-66	-43.2	177.4	-64.8	-172.9	0	0	0	111.7	W73 S79 A80 S86 A91 R92 K122 I123 T126	W73-I88 HydrophobicContact CH2-CD1 4.36Å; W73-I88 HydrophobicContact CZ3-CD1 4.28Å; W73-I88 HydrophobicContact CZ3-CG1 4.07Å; S79-I88 PolarHBondContact O-N 3.43Å; A80-I88 HydrophobicContact CB-CD1 4.04Å; S86-I88 VanDerWaalsContact C-N 3.25Å; S86-I88 PolarHBondContact O-N 3.24Å; I88-A91 PolarHBondContact O-N 3.39Å; I88-R92 VanDerWaalsContact O-CB 3.29Å; I88-R92 WeakPolarHBondContact O-CB 3.4Å; I88-R92 PolarHBondContact O-N 2.95Å; I88-K122 HydrophobicContact CD1-CB 3.67Å; I88-K122 HydrophobicContact CD1-CD 4.34Å; I88-I123 HydrophobicContact CD1-CG1 4.16Å; I88-I123 HydrophobicContact CG1-CG1 4.4Å; I88-T126 HydrophobicContact CG2-CG2 3.49Å; I88-T126 VanDerWaalsContact CG2-CG2 3.49Å
89	S	92.5	Very high	89	Confident	11 Å²	11	27 Å²	27	8%	0.077	14%	0.138	C	C	.	.	H	α-helix	trans	-66.7	-42.3	179.5	-68.1	0	0	0	0	112.4	Q83 S86 R92 S93	Q83-S89 WeakPolarHBondContact O-CB 3.35Å; Q83-S89 PolarHBondContact O-OG 3.11Å; S86-S89 PolarHBondContact O-N 3.44Å; S86-S89 WeakPolarHBondContact OG-CB 3.47Å; S86-S89 PolarHBondContact OG-N 2.93Å; S86-S89 PolarHBondContact OG-OG 3.2Å; S86-S89 VanDerWaalsContact OG-OG 3.04Å; S89-R92 PolarHBondContact O-N 2.95Å; S89-S93 PolarHBondContact O-N 3.33Å; S89-S93 PolarHBondContact O-OG 3.25Å
90	V	94.9	Very high	89.3	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65	-45.2	175.3	177.2	0	0	0	0	110.3	P44 L51 L54 I71 S86 R92 S93 F94	P44-V90 HydrophobicContact CB-CG2 3.97Å; P44-V90 HydrophobicContact CG-CG2 4.33Å; L51-V90 HydrophobicContact CD1-CG2 3.76Å; L54-V90 HydrophobicContact CD2-CG1 4.41Å; I71-V90 HydrophobicContact CD1-CG1 3.96Å; I71-V90 HydrophobicContact CG1-CG1 4.41Å; S86-V90 WeakPolarHBondContact O-CG2 3.46Å; S86-V90 PolarHBondContact O-N 3.38Å; V90-R92 PolarHBondContact O-N 3.15Å; V90-S93 WeakPolarHBondContact O-CB 3.45Å; V90-S93 PolarHBondContact O-N 3.03Å; V90-S93 VanDerWaalsContact O-N 3.12Å; V90-F94 HydrophobicContact CG1-CD1 4.04Å; V90-F94 HydrophobicContact CG1-CE1 3.59Å; V90-F94 HydrophobicContact CG1-CE2 4.34Å; V90-F94 HydrophobicContact CG1-CZ 3.75Å; V90-F94 WeakPolarHBondContact O-CD1 3.27Å; V90-F94 PolarHBondContact O-N 3.35Å
91	A	94.5	Very high	89.9	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.1	-41.6	178.1	0	0	0	0	0	112.4	I71 S87 I88 S93 F94 R95 V102 V104 I128	I71-A91 HydrophobicContact CG1-CB 4.18Å; S87-A91 WeakPolarHBondContact O-CB 3.38Å; S87-A91 PolarHBondContact O-N 3.1Å; I88-A91 PolarHBondContact O-N 3.39Å; A91-S93 VanDerWaalsContact C-N 3.31Å; A91-S93 PolarHBondContact O-N 3.28Å; A91-F94 PolarHBondContact O-N 2.64Å; A91-R95 WeakPolarHBondContact O-CB 3.21Å; A91-R95 PolarHBondContact O-N 3.31Å; A91-V102 HydrophobicContact CB-CG1 3.7Å; A91-V104 HydrophobicContact CB-CG2 3.62Å; A91-I128 HydrophobicContact CB-CD1 3.48Å; A91-I128 VanDerWaalsContact CB-CD1 3.48Å
92	R	91.3	Very high	90.6	Very high	91 Å²	91	27.3 Å²	27.3	34%	0.343	14%	0.138	S	C	.	.	H	α-helix	trans	-59.3	-42.6	172.6	-174.7	-174.1	-63.4	145.8	0.1	111.4	I88 S89 V90 R95 N96	I88-R92 VanDerWaalsContact O-CB 3.29Å; I88-R92 WeakPolarHBondContact O-CB 3.4Å; I88-R92 PolarHBondContact O-N 2.95Å; S89-R92 PolarHBondContact O-N 2.95Å; V90-R92 PolarHBondContact O-N 3.15Å; R92-R95 PolarHBondContact O-N 3.06Å; R92-N96 VanDerWaalsContact O-CB 3.28Å; R92-N96 WeakPolarHBondContact O-CB 3.37Å; R92-N96 VanDerWaalsContact O-CG 3.29Å; R92-N96 PolarHBondContact O-N 3.19Å
93	S	92.3	Very high	91.3	Very high	17 Å²	17	21.3 Å²	21.3	12%	0.119	11%	0.106	C	C	.	.	H	α-helix	trans	-65.2	-46.6	178	-58.2	0	0	0	0	112	Y55 S89 V90 A91 R95 N96 L97 F98 F386	Y55-S93 WeakPolarHBondContact OH-CB 3.35Å; Y55-S93 PolarHBondContact OH-OG 3.37Å; S89-S93 PolarHBondContact O-N 3.33Å; S89-S93 PolarHBondContact O-OG 3.25Å; V90-S93 WeakPolarHBondContact O-CB 3.45Å; V90-S93 PolarHBondContact O-N 3.03Å; V90-S93 VanDerWaalsContact O-N 3.12Å; A91-S93 VanDerWaalsContact C-N 3.31Å; A91-S93 PolarHBondContact O-N 3.28Å; S93-R95 VanDerWaalsContact C-N 3.31Å; S93-R95 PolarHBondContact O-N 3.28Å; S93-N96 PolarHBondContact O-N 2.68Å; S93-L97 WeakPolarHBondContact O-CB 3.18Å; S93-L97 PolarHBondContact O-N 3.21Å; S93-F98 WeakPolarHBondContact O-CD2 3.39Å; S93-F386 WeakPolarHBondContact OG-CZ 3.33Å
94	F	93.3	Very high	91.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-56.3	-45.2	175.8	-77.8	17.6	0	0	0	111.9	F42 L54 Y55 I58 V69 I71 V90 A91 F98 L99 L100 V102	F42-F94 HydrophobicContact CB-CE2 4.28Å; F42-F94 AromaticContact CD2-CE2 3.98Å; F42-F94 HydrophobicContact CD2-CE2 3.98Å; F42-F94 HydrophobicContact CG-CE2 4.28Å; L54-F94 HydrophobicContact CD1-CZ 4.34Å; L54-F94 HydrophobicContact CD2-CE1 4.43Å; L54-F94 HydrophobicContact CD2-CZ 3.98Å; L54-F94 HydrophobicContact CG-CE1 4.43Å; L54-F94 HydrophobicContact CG-CZ 4.08Å; Y55-F94 HydrophobicContact CD1-CD1 4.22Å; Y55-F94 AromaticContact CD1-CE1 3.79Å; Y55-F94 HydrophobicContact CD1-CE1 3.79Å; Y55-F94 AromaticContact CE1-CD1 3.94Å; Y55-F94 HydrophobicContact CE1-CD1 3.94Å; Y55-F94 AromaticContact CE1-CE1 3.67Å; Y55-F94 HydrophobicContact CE1-CE1 3.67Å; I58-F94 HydrophobicContact CB-CE1 4.22Å; I58-F94 HydrophobicContact CB-CZ 4.37Å; I58-F94 HydrophobicContact CD1-CD2 4.25Å; I58-F94 HydrophobicContact CD1-CE1 4.01Å; I58-F94 HydrophobicContact CD1-CE2 3.4Å; I58-F94 HydrophobicContact CD1-CZ 3.29Å; I58-F94 HydrophobicContact CG1-CD1 4.41Å; I58-F94 HydrophobicContact CG1-CE1 3.58Å; I58-F94 HydrophobicContact CG1-CE2 3.96Å; I58-F94 HydrophobicContact CG1-CZ 3.32Å; I58-F94 HydrophobicContact CG2-CD1 4.03Å; I58-F94 HydrophobicContact CG2-CE1 4.03Å; I58-F94 HydrophobicContact CG2-CG 4.36Å; I58-F94 HydrophobicContact CG2-CZ 4.33Å; V69-F94 HydrophobicContact CG2-CD2 3.66Å; V69-F94 HydrophobicContact CG2-CE2 4.35Å; I71-F94 HydrophobicContact CD1-CD2 3.58Å; I71-F94 HydrophobicContact CD1-CE2 3.17Å; I71-F94 HydrophobicContact CD1-CZ 3.85Å; I71-F94 HydrophobicContact CG1-CD2 4.17Å; I71-F94 HydrophobicContact CG1-CE2 4.23Å; V90-F94 HydrophobicContact CG1-CD1 4.04Å; V90-F94 HydrophobicContact CG1-CE1 3.59Å; V90-F94 HydrophobicContact CG1-CE2 4.34Å; V90-F94 HydrophobicContact CG1-CZ 3.75Å; V90-F94 WeakPolarHBondContact O-CD1 3.27Å; V90-F94 PolarHBondContact O-N 3.35Å; A91-F94 PolarHBondContact O-N 2.64Å; F94-F98 HydrophobicContact CD1-CD2 4.16Å; F94-F98 CarbonylContact O-C 3.56Å; F94-F98 WeakPolarHBondContact O-CB 3.32Å; F94-F98 PolarHBondContact O-N 2.81Å; F94-L99 PolarHBondContact O-N 2.96Å; F94-L99 VanDerWaalsContact O-N 3.16Å; F94-L100 PolarHBondContact O-N 3.43Å; F94-L100 VanDerWaalsContact O-N 3.16Å; F94-V102 HydrophobicContact CB-CG2 3.68Å
95	R	90.1	Very high	92.3	Very high	23 Å²	23	14 Å²	14	9%	0.087	7%	0.067	C	C	.	.	H	α-helix	trans	-67.8	-47.9	178.7	-177.5	179	177.2	-92.1	8.8	113	A91 R92 S93 L99 L100 V102 T126 G127 N331	A91-R95 WeakPolarHBondContact O-CB 3.21Å; A91-R95 PolarHBondContact O-N 3.31Å; R92-R95 PolarHBondContact O-N 3.06Å; S93-R95 VanDerWaalsContact C-N 3.31Å; S93-R95 PolarHBondContact O-N 3.28Å; R95-L99 WeakPolarHBondContact O-CA 3.39Å; R95-L100 WeakPolarHBondContact CA-O 3.44Å; R95-V102 HydrophobicContact CB-CG2 3.97Å; R95-T126 PolarHBondContact NH1-O 3.36Å; R95-G127 PolarHBondContact NE-O 3.02Å; R95-G127 PolarHBondContact NH2-O 3.43Å; R95-N331 PolarHBondContact O-ND2 2.76Å
96	N	86.3	Confident	92.6	Very high	28 Å²	28	11.8 Å²	11.8	15%	0.15	6%	0.056	C	C	.	.	H	α-helix	trans	-85.3	-42.1	-168.1	-67.1	-7.3	0	0	0	112.4	R92 S93 L99 I355	R92-N96 VanDerWaalsContact O-CB 3.28Å; R92-N96 WeakPolarHBondContact O-CB 3.37Å; R92-N96 VanDerWaalsContact O-CG 3.29Å; R92-N96 PolarHBondContact O-N 3.19Å; S93-N96 PolarHBondContact O-N 2.68Å; N96-L99 WeakPolarHBondContact O-CD2 3.38Å; N96-I355 WeakPolarHBondContact O-CG2 3.27Å
97	L	88.2	Confident	92.7	Very high	13 Å²	13	11.9 Å²	11.9	7%	0.068	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-36.1	-174.3	-62	172.6	0	0	0	113.1	S93 I355 F356 F386	S93-L97 WeakPolarHBondContact O-CB 3.18Å; S93-L97 PolarHBondContact O-N 3.21Å; L97-I355 HydrophobicContact CD2-CB 4.21Å; L97-I355 HydrophobicContact CD2-CG2 3.88Å; L97-F356 HydrophobicContact CD1-CD2 4.27Å; L97-F356 HydrophobicContact CD2-CB 4.01Å; L97-F356 HydrophobicContact CD2-CD2 4.22Å; L97-F386 HydrophobicContact CD1-CB 4.46Å; L97-F386 HydrophobicContact CD1-CD1 3.44Å; L97-F386 VanDerWaalsContact CD1-CD1 3.44Å; L97-F386 HydrophobicContact CD1-CD2 3.52Å; L97-F386 HydrophobicContact CD1-CE1 3.36Å; L97-F386 HydrophobicContact CD1-CE2 3.48Å; L97-F386 VanDerWaalsContact CD1-CE2 3.48Å; L97-F386 HydrophobicContact CD1-CG 3.51Å; L97-F386 HydrophobicContact CD1-CZ 3.39Å
98	F	88.4	Confident	92.6	Very high	13 Å²	13	11.9 Å²	11.9	6%	0.057	6%	0.056	C	C	.	.	S	Bend	trans	-98.5	-2	-179.1	-55.1	-81.2	0	0	0	113	Y55 I58 E59 S93 F94 L100 K352 F386	Y55-F98 HydrophobicContact CD1-CD2 4.4Å; Y55-F98 AromaticContact CD1-CE2 3.4Å; Y55-F98 HydrophobicContact CD1-CE2 3.4Å; Y55-F98 VanDerWaalsContact CD1-CE2 3.4Å; Y55-F98 AromaticContact CD1-CZ 3.74Å; Y55-F98 HydrophobicContact CD1-CZ 3.74Å; Y55-F98 AromaticContact CE1-CE2 3.99Å; Y55-F98 HydrophobicContact CE1-CE2 3.99Å; Y55-F98 AromaticContact CG-CE2 3.98Å; Y55-F98 HydrophobicContact CG-CE2 3.98Å; Y55-F98 AromaticContact CG-CZ 3.86Å; Y55-F98 HydrophobicContact CG-CZ 3.86Å; Y55-F98 WeakPolarHBondContact O-CE1 3.25Å; I58-F98 HydrophobicContact CG2-CB 3.8Å; I58-F98 HydrophobicContact CG2-CD1 3.88Å; I58-F98 HydrophobicContact CG2-CD2 3.97Å; I58-F98 HydrophobicContact CG2-CG 3.58Å; E59-F98 HydrophobicContact CB-CD1 4.25Å; E59-F98 HydrophobicContact CB-CE1 4.09Å; S93-F98 WeakPolarHBondContact O-CD2 3.39Å; F94-F98 HydrophobicContact CD1-CD2 4.16Å; F94-F98 CarbonylContact O-C 3.56Å; F94-F98 WeakPolarHBondContact O-CB 3.32Å; F94-F98 PolarHBondContact O-N 2.81Å; F98-L100 VanDerWaalsContact C-N 3.27Å; F98-L100 HydrophobicContact CB-CD1 4.08Å; F98-L100 HydrophobicContact CB-CG 4.2Å; F98-L100 PolarHBondContact O-N 3.42Å; F98-K352 HydrophobicContact CE1-CD 4.48Å; F98-F386 HydrophobicContact CE2-CD1 4.16Å; F98-F386 HydrophobicContact CE2-CE1 4.38Å; F98-F386 HydrophobicContact CZ-CD1 4.17Å
99	L	85.3	Confident	92.4	Very high	13 Å²	13	11.8 Å²	11.8	7%	0.068	6%	0.056	C	C	.	.			trans	56.2	42.5	173	-47.9	-176.3	0	0	0	112.3	F94 R95 N96 K329 N331 P332	F94-L99 PolarHBondContact O-N 2.96Å; F94-L99 VanDerWaalsContact O-N 3.16Å; R95-L99 WeakPolarHBondContact O-CA 3.39Å; N96-L99 WeakPolarHBondContact O-CD2 3.38Å; L99-K329 HydrophobicContact CD1-CB 4.33Å; L99-K329 WeakPolarHBondContact CD1-O 3.38Å; L99-N331 HydrophobicContact CD2-CB 3.9Å; L99-N331 WeakPolarHBondContact CD2-ND2 3.38Å; L99-P332 WeakPolarHBondContact O-CD 3.4Å
100	L	89.6	Confident	92	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.016	7%	0.074	C	C	.	.			trans	-100.7	150.7	179.1	-65.6	172.2	0	0	0	111.2	I58 A62 P66 V69 F94 R95 F98 V102	I58-L100 HydrophobicContact CG2-CD1 3.61Å; A62-L100 HydrophobicContact CB-CD1 4.45Å; A62-L100 HydrophobicContact CB-CD2 3.93Å; A62-L100 HydrophobicContact CB-CG 4.28Å; P66-L100 HydrophobicContact CG-CD2 4.12Å; V69-L100 HydrophobicContact CG1-CD1 4.02Å; V69-L100 HydrophobicContact CG2-CB 4.02Å; V69-L100 HydrophobicContact CG2-CD1 3.95Å; F94-L100 PolarHBondContact O-N 3.43Å; F94-L100 VanDerWaalsContact O-N 3.16Å; R95-L100 WeakPolarHBondContact CA-O 3.44Å; F98-L100 VanDerWaalsContact C-N 3.27Å; F98-L100 HydrophobicContact CB-CD1 4.08Å; F98-L100 HydrophobicContact CB-CG 4.2Å; F98-L100 PolarHBondContact O-N 3.42Å; L100-V102 HydrophobicContact CB-CG2 4.4Å
101	D	91.9	Very high	91.6	Very high	7 Å²	7	16.4 Å²	16.4	4%	0.037	8%	0.081	C	C	.	.			trans	-81.1	125.8	163.5	-168.4	8	0	0	0	109	R26 F68 V69 N130 T333	R26-D101 IonicContact CZ-OD2 2.82Å; R26-D101 IonicContact NH1-OD2 2.9Å; R26-D101 PolarHBondContact NH1-OD2 3.05Å; R26-D101 IonicContact NH2-OD2 3.93Å; R26-D101 PolarHBondContact NH2-OD2 2.71Å; F68-D101 CarbonylContact C-O 3.59Å; F68-D101 VanDerWaalsContact CA-O 3.28Å; F68-D101 WeakPolarHBondContact CA-O 3.28Å; F68-D101 HydrophobicContact CB-CB 4.35Å; V69-D101 PolarHBondContact N-O 3.15Å; D101-N130 PolarHBondContact OD1-ND2 2.88Å; D101-T333 HydrophobicContact CB-CG2 3.7Å; D101-T333 WeakPolarHBondContact OD1-CG2 3.41Å
102	V	95.5	Very high	91.5	Very high	2 Å²	2	20 Å²	20	1%	0.012	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.8	-168.9	-172.3	0	0	0	0	110.3	V69 I71 A91 F94 R95 L100 V104 I128 N130	V69-V102 HydrophobicContact CG2-CG2 4.1Å; V69-V102 CarbonylContact O-C 3.58Å; V69-V102 VanDerWaalsContact O-CA 3.32Å; V69-V102 WeakPolarHBondContact O-CA 3.23Å; I71-V102 HydrophobicContact CG1-CG1 4.19Å; A91-V102 HydrophobicContact CB-CG1 3.7Å; F94-V102 HydrophobicContact CB-CG2 3.68Å; R95-V102 HydrophobicContact CB-CG2 3.97Å; L100-V102 HydrophobicContact CB-CG2 4.4Å; V102-V104 HydrophobicContact CG1-CG2 4.34Å; V102-I128 HydrophobicContact CG1-CD1 4.48Å; V102-N130 PolarHBondContact O-ND2 2.72Å
103	V	97.6	Very high	91.6	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.006	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.4	168.5	-165.1	0	0	0	0	108.3	L23 F68 V69 D70 I71 N130 V132	L23-V103 HydrophobicContact CD2-CG2 3.85Å; F68-V103 HydrophobicContact CB-CG2 3.97Å; F68-V103 HydrophobicContact CD2-CB 4.35Å; F68-V103 HydrophobicContact CD2-CG2 3.35Å; F68-V103 HydrophobicContact CE2-CG2 3.97Å; F68-V103 HydrophobicContact CG-CG2 3.8Å; V69-V103 PolarHBondContact O-N 3.36Å; D70-V103 CarbonylContact C-O 3.55Å; D70-V103 WeakPolarHBondContact CA-O 3.48Å; D70-V103 HydrophobicContact CB-CB 3.8Å; D70-V103 WeakPolarHBondContact CB-O 3.39Å; I71-V103 PolarHBondContact N-O 3.16Å; V103-N130 WeakPolarHBondContact CA-O 3.34Å; V103-N130 HydrophobicContact CB-CB 3.98Å; V103-N130 HydrophobicContact CG1-CB 3.83Å; V103-N130 HydrophobicContact CG2-CB 3.68Å; V103-V132 HydrophobicContact CB-CG2 4.44Å; V103-V132 HydrophobicContact CG1-CG2 3.49Å; V103-V132 VanDerWaalsContact CG1-CG2 3.49Å
104	V	97.4	Very high	91.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.1	179	175	0	0	0	0	109.1	W73 A91 V102 I123 I128 N130 I131 V132	W73-V104 HydrophobicContact CE3-CG1 3.87Å; W73-V104 HydrophobicContact CZ3-CG1 4.11Å; A91-V104 HydrophobicContact CB-CG2 3.62Å; V102-V104 HydrophobicContact CG1-CG2 4.34Å; V104-I123 HydrophobicContact CB-CD1 4.46Å; V104-I123 HydrophobicContact CG1-CD1 4.03Å; V104-I123 HydrophobicContact CG1-CG1 4.38Å; V104-I128 HydrophobicContact CG2-CD1 3.67Å; V104-I128 HydrophobicContact CG2-CG2 4.16Å; V104-N130 PolarHBondContact N-O 3.31Å; V104-I131 CarbonylContact O-C 3.6Å; V104-I131 VanDerWaalsContact O-CA 3.25Å; V104-I131 WeakPolarHBondContact O-CA 3.2Å; V104-V132 PolarHBondContact O-N 3.41Å
105	H	97.5	Very high	91.6	Very high	17 Å²	17	24.4 Å²	24.4	8%	0.079	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	139.9	169.2	-74	-160.7	0	0	0	109.2	E41 D70 I71 W73 V132 L134	E41-H105 IonicContact OE2-CE1 2.77Å; E41-H105 PolarHBondContact OE2-CE1 2.86Å; E41-H105 IonicContact OE2-NE2 3.29Å; D70-H105 IonicContact OD1-CD2 2.69Å; D70-H105 IonicContact OD1-CE1 2.93Å; D70-H105 IonicContact OD1-NE2 3.87Å; D70-H105 PolarHBondContact OD1-NE2 2.8Å; I71-H105 PolarHBondContact O-N 3.05Å; W73-H105 HydrophobicContact CB-CB 3.64Å; W73-H105 WeakPolarHBondContact CB-O 3.28Å; H105-V132 VanDerWaalsContact CD2-CB 3.46Å; H105-V132 WeakPolarHBondContact CD2-CB 3.42Å; H105-V132 VanDerWaalsContact CD2-CG2 3.4Å; H105-V132 WeakPolarHBondContact CD2-CG2 3.31Å; H105-L134 HydrophobicContact CB-CD1 4.07Å; H105-L134 WeakPolarHBondContact ND1-CD1 3.21Å
106	L	96.5	Very high	91.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	120.6	172.2	-178.3	60.9	0	0	0	108.8	W73 L116 Y119 V120 I123 I131 V132 L134 L155	W73-L106 HydrophobicContact CD2-CD1 4.49Å; W73-L106 HydrophobicContact CH2-CD1 4.09Å; W73-L106 HydrophobicContact CZ2-CD1 4.01Å; W73-L106 HydrophobicContact CZ3-CD1 4.39Å; L106-L116 HydrophobicContact CD1-CD2 4.46Å; L106-Y119 HydrophobicContact CD1-CD2 4.28Å; L106-V120 HydrophobicContact CD2-CG2 3.58Å; L106-I123 HydrophobicContact CD2-CD1 4.45Å; L106-I131 HydrophobicContact CB-CG2 3.73Å; L106-I131 HydrophobicContact CD2-CD1 4.41Å; L106-I131 HydrophobicContact CD2-CG2 4.44Å; L106-V132 PolarHBondContact N-O 2.95Å; L106-L134 PolarHBondContact O-N 3.48Å; L106-L155 HydrophobicContact CB-CD2 4.2Å; L106-L155 HydrophobicContact CD2-CD1 3.94Å; L106-L155 HydrophobicContact CD2-CD2 4.28Å; L106-L155 HydrophobicContact CG-CD1 4.37Å; L106-L155 HydrophobicContact CG-CD2 4Å; L106-L155 WeakPolarHBondContact O-CD2 3.48Å
107	T	94.6	Very high	92.3	Very high	7 Å²	7	24.3 Å²	24.3	4%	0.043	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	137	180	56.8	0	0	0	0	110.7	V75 L134	V75-T107 WeakPolarHBondContact CG2-OG1 3.09Å; T107-L134 VanDerWaalsContact CA-O 3.3Å; T107-L134 WeakPolarHBondContact CA-O 3.47Å; T107-L134 HydrophobicContact CG2-CB 4.13Å
108	C	92.7	Very high	92.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.152	C	C	.	.			trans	-104.2	-16.7	-175.4	67.1	0	0	0	0	116.2	C111 L116 L134 R135 Y149 N151 L155	C108-C111 WeakPolarHBondContact O-CB 3.33Å; C108-C111 PolarHBondContact O-N 3.44Å; C108-L116 HydrophobicContact CB-CD1 3.94Å; C108-L116 HydrophobicContact CB-CD2 4.36Å; C108-L134 PolarHBondContact N-O 3.32Å; C108-L134 VanDerWaalsContact N-O 3.11Å; C108-R135 PolarHBondContact N-O 2.91Å; C108-R135 VanDerWaalsContact N-O 3.12Å; C108-Y149 HydrophobicContact CB-CD1 4.25Å; C108-Y149 HydrophobicContact CB-CG 4.23Å; C108-Y149 VanDerWaalsContact O-CB 3.32Å; C108-Y149 WeakPolarHBondContact O-CB 3.4Å; C108-N151 PolarHBondContact SG-O 3.39Å; C108-N151 VanDerWaalsContact SG-O 3.34Å; C108-L155 HydrophobicContact CB-CB 3.86Å; C108-L155 HydrophobicContact CB-CD1 4.31Å; C108-L155 HydrophobicContact CB-CD2 4.05Å; C108-L155 HydrophobicContact CB-CG 4.29Å
109	V	89.1	Confident	92.9	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.012	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	145.1	-177.5	76.6	0	0	0	0	111	C111 R135 T138 M147	V109-C111 PolarHBondContact O-N 2.84Å; V109-C111 PolarHBondContact O-SG 3.4Å; V109-R135 HydrophobicContact CB-CG 4.11Å; V109-R135 VanDerWaalsContact CB-O 3.27Å; V109-R135 WeakPolarHBondContact CB-O 3.3Å; V109-R135 VanDerWaalsContact CG1-O 3.26Å; V109-R135 WeakPolarHBondContact CG1-O 3.37Å; V109-R135 PolarHBondContact N-O 2.94Å; V109-T138 HydrophobicContact CB-CG2 4.14Å; V109-T138 HydrophobicContact CG1-CG2 3.79Å; V109-T138 HydrophobicContact CG2-CG2 3.31Å; V109-M147 HydrophobicContact CG2-SD 4.48Å
110	N	84.5	Confident	93.4	Very high	87 Å²	87	27.7 Å²	27.7	47%	0.465	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	10.9	-175.4	-57.1	-37.7	0	0	0	115.7
111	C	88.1	Confident	93.7	Very high	20 Å²	20	31.1 Å²	31.1	14%	0.135	18%	0.175	C	C	.	.			trans	-99.4	142.7	176	-59	0	0	0	0	111.4	C108 V109 L116 Y149	C108-C111 WeakPolarHBondContact O-CB 3.33Å; C108-C111 PolarHBondContact O-N 3.44Å; V109-C111 PolarHBondContact O-N 2.84Å; V109-C111 PolarHBondContact O-SG 3.4Å; C111-L116 HydrophobicContact CB-CD1 4.08Å; C111-L116 HydrophobicContact CB-CD2 3.72Å; C111-L116 HydrophobicContact CB-CG 3.61Å; C111-Y149 WeakPolarHBondContact O-CD2 3.44Å
112	T	91.1	Very high	93.7	Very high	77 Å²	77	34.3 Å²	34.3	47%	0.472	19%	0.189	S	C	.	.			trans	-77.3	165.2	164.4	64.3	0	0	0	0	110.7	S114 Q115 L116	T112-S114 VanDerWaalsContact C-N 3.32Å; T112-S114 PolarHBondContact O-N 2.77Å; T112-Q115 PolarHBondContact O-N 2.85Å; T112-Q115 WeakPolarHBondContact OG1-CB 3.25Å; T112-Q115 VanDerWaalsContact OG1-CG 3.31Å; T112-Q115 WeakPolarHBondContact OG1-CG 3.49Å; T112-Q115 PolarHBondContact OG1-N 3.29Å; T112-Q115 PolarHBondContact OG1-OE1 3.2Å; T112-L116 PolarHBondContact O-N 3.43Å; T112-L116 VanDerWaalsContact O-N 3.12Å
113	T	93.7	Very high	93.7	Very high	33 Å²	33	34.3 Å²	34.3	20%	0.202	19%	0.188	C	C	.	.	H	α-helix	trans	-61.1	-42.8	175.7	-56.8	0	0	0	0	111.3	Q115 L116 E117 K148 Y149 L158	T113-Q115 PolarHBondContact O-N 3.46Å; T113-L116 PolarHBondContact O-N 2.98Å; T113-E117 HydrophobicContact CG2-CG 4.26Å; T113-E117 WeakPolarHBondContact O-CB 3.37Å; T113-E117 WeakPolarHBondContact O-CG 3.11Å; T113-E117 PolarHBondContact O-N 3.22Å; T113-K148 WeakPolarHBondContact OG1-CE 3.34Å; T113-K148 PolarHBondContact OG1-NZ 2.92Å; T113-Y149 WeakPolarHBondContact CG2-OH 3.47Å; T113-Y149 WeakPolarHBondContact OG1-CE2 3.25Å; T113-Y149 PolarHBondContact OG1-OH 3.1Å; T113-L158 HydrophobicContact CG2-CD1 4.09Å
114	S	93.9	Very high	93.5	Very high	85 Å²	85	37.6 Å²	37.6	59%	0.594	20%	0.203	S	C	*	.	H	α-helix	trans	-63.7	-38.8	179.3	176.4	0	0	0	0	112.5	T112 S118	T112-S114 VanDerWaalsContact C-N 3.32Å; T112-S114 PolarHBondContact O-N 2.77Å; S114-S118 WeakPolarHBondContact O-CB 3.3Å; S114-S118 PolarHBondContact O-N 3.27Å
115	Q	92.5	Very high	93.1	Very high	81 Å²	81	44.1 Å²	44.1	38%	0.379	24%	0.238	S	C	.	.	H	α-helix	trans	-63.5	-45.6	174.3	-76.2	167.9	-52.4	0	0	111.9	T112 T113 S118 Y119	T112-Q115 PolarHBondContact O-N 2.85Å; T112-Q115 WeakPolarHBondContact OG1-CB 3.25Å; T112-Q115 VanDerWaalsContact OG1-CG 3.31Å; T112-Q115 WeakPolarHBondContact OG1-CG 3.49Å; T112-Q115 PolarHBondContact OG1-N 3.29Å; T112-Q115 PolarHBondContact OG1-OE1 3.2Å; T113-Q115 PolarHBondContact O-N 3.46Å; Q115-S118 PolarHBondContact O-N 2.96Å; Q115-Y119 HydrophobicContact CB-CE2 4.4Å; Q115-Y119 WeakPolarHBondContact O-CD2 3.2Å; Q115-Y119 VanDerWaalsContact O-CG 3.22Å; Q115-Y119 PolarHBondContact O-N 2.88Å
116	L	94.1	Very high	92.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.2	-44.4	177.8	-69.7	173.6	0	0	0	111.9	L106 C108 C111 T112 T113 S118 Y119 V120 Y149 L155 L158	L106-L116 HydrophobicContact CD1-CD2 4.46Å; C108-L116 HydrophobicContact CB-CD1 3.94Å; C108-L116 HydrophobicContact CB-CD2 4.36Å; C111-L116 HydrophobicContact CB-CD1 4.08Å; C111-L116 HydrophobicContact CB-CD2 3.72Å; C111-L116 HydrophobicContact CB-CG 3.61Å; T112-L116 PolarHBondContact O-N 3.43Å; T112-L116 VanDerWaalsContact O-N 3.12Å; T113-L116 PolarHBondContact O-N 2.98Å; L116-S118 VanDerWaalsContact C-N 3.31Å; L116-S118 PolarHBondContact O-N 3.3Å; L116-Y119 HydrophobicContact CD2-CD2 4.41Å; L116-Y119 PolarHBondContact O-N 3.45Å; L116-V120 VanDerWaalsContact O-CG2 3.23Å; L116-V120 WeakPolarHBondContact O-CG2 3.45Å; L116-V120 PolarHBondContact O-N 2.88Å; L116-Y149 HydrophobicContact CD1-CD1 3.76Å; L116-Y149 HydrophobicContact CD1-CD2 3.65Å; L116-Y149 HydrophobicContact CD1-CE1 3.76Å; L116-Y149 HydrophobicContact CD1-CE2 3.63Å; L116-Y149 HydrophobicContact CD1-CG 3.73Å; L116-L155 HydrophobicContact CD1-CD1 4.32Å; L116-L155 HydrophobicContact CD2-CD1 4.4Å; L116-L158 HydrophobicContact CB-CD2 3.7Å; L116-L158 HydrophobicContact CD1-CD2 4.12Å
117	E	95.5	Very high	92.1	Very high	49 Å²	49	44.8 Å²	44.8	23%	0.229	25%	0.247	C	C	.	.	H	α-helix	trans	-57.5	-45.5	174.8	-72.5	175.7	157.9	0	0	110.9	T113 Y119 V120 D121 L158 K162	T113-E117 HydrophobicContact CG2-CG 4.26Å; T113-E117 WeakPolarHBondContact O-CB 3.37Å; T113-E117 WeakPolarHBondContact O-CG 3.11Å; T113-E117 PolarHBondContact O-N 3.22Å; E117-Y119 PolarHBondContact O-N 2.85Å; E117-V120 PolarHBondContact O-N 3.03Å; E117-D121 WeakPolarHBondContact O-CB 3.43Å; E117-D121 PolarHBondContact O-N 2.85Å; E117-L158 HydrophobicContact CG-CD1 4.48Å; E117-K162 WeakPolarHBondContact OE1-CE 3.42Å; E117-K162 IonicContact OE1-NZ 3.27Å; E117-K162 PolarHBondContact OE1-NZ 3.28Å
118	S	94.6	Very high	92	Very high	56 Å²	56	44.6 Å²	44.6	39%	0.392	25%	0.246	S	C	.	.	H	α-helix	trans	-60.4	-42.1	175.7	-177.1	0	0	0	0	112.9	S114 Q115 L116 D121 K122	S114-S118 WeakPolarHBondContact O-CB 3.3Å; S114-S118 PolarHBondContact O-N 3.27Å; Q115-S118 PolarHBondContact O-N 2.96Å; L116-S118 VanDerWaalsContact C-N 3.31Å; L116-S118 PolarHBondContact O-N 3.3Å; S118-D121 PolarHBondContact O-N 3.47Å; S118-K122 WeakPolarHBondContact O-CG 3.5Å; S118-K122 PolarHBondContact O-N 2.59Å
119	Y	95.1	Very high	92	Very high	53 Å²	53	47.6 Å²	47.6	21%	0.208	26%	0.257	C	S	.	.	H	α-helix	trans	-65.8	-41.7	176.4	-62.9	-24.7	0	0	0	112.1	W73 A80 L106 Q115 L116 E117 K122 I123	W73-Y119 HydrophobicContact CH2-CD1 4.42Å; W73-Y119 HydrophobicContact CH2-CD2 4.34Å; W73-Y119 HydrophobicContact CH2-CG 4.04Å; W73-Y119 HydrophobicContact CZ2-CD1 4.41Å; W73-Y119 AromaticContact CZ2-CD2 3.81Å; W73-Y119 HydrophobicContact CZ2-CD2 3.81Å; W73-Y119 HydrophobicContact CZ2-CE2 4.16Å; W73-Y119 AromaticContact CZ2-CG 3.96Å; W73-Y119 HydrophobicContact CZ2-CG 3.96Å; A80-Y119 HydrophobicContact CB-CD1 3.36Å; A80-Y119 HydrophobicContact CB-CE1 3.47Å; A80-Y119 VanDerWaalsContact CB-CE1 3.47Å; A80-Y119 HydrophobicContact CB-CG 4.21Å; L106-Y119 HydrophobicContact CD1-CD2 4.28Å; Q115-Y119 HydrophobicContact CB-CE2 4.4Å; Q115-Y119 WeakPolarHBondContact O-CD2 3.2Å; Q115-Y119 VanDerWaalsContact O-CG 3.22Å; Q115-Y119 PolarHBondContact O-N 2.88Å; L116-Y119 HydrophobicContact CD2-CD2 4.41Å; L116-Y119 PolarHBondContact O-N 3.45Å; E117-Y119 PolarHBondContact O-N 2.85Å; Y119-K122 PolarHBondContact O-N 3.48Å; Y119-I123 WeakPolarHBondContact O-CG1 3.33Å; Y119-I123 PolarHBondContact O-N 2.88Å
120	V	96.1	Very high	92.4	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-65.5	-40.4	177.8	177.4	0	0	0	0	110.9	L106 L116 E117 I123 K124 L159 H163 F167	L106-V120 HydrophobicContact CD2-CG2 3.58Å; L116-V120 VanDerWaalsContact O-CG2 3.23Å; L116-V120 WeakPolarHBondContact O-CG2 3.45Å; L116-V120 PolarHBondContact O-N 2.88Å; E117-V120 PolarHBondContact O-N 3.03Å; V120-I123 PolarHBondContact O-N 3.32Å; V120-K124 WeakPolarHBondContact O-CB 3.49Å; V120-K124 PolarHBondContact O-N 3.02Å; V120-L159 HydrophobicContact CB-CD2 4.39Å; V120-L159 HydrophobicContact CG1-CD2 3.83Å; V120-L159 HydrophobicContact CG2-CD2 3.52Å; V120-H163 WeakPolarHBondContact CG1-NE2 3.45Å; V120-F167 HydrophobicContact CG1-CD2 4.44Å; V120-F167 HydrophobicContact CG1-CE2 3.37Å; V120-F167 HydrophobicContact CG1-CZ 3.57Å
121	D	94.9	Very high	93.1	Very high	75 Å²	75	43.5 Å²	43.5	40%	0.401	24%	0.235	S	C	.	.	H	α-helix	trans	-62.8	-41.9	174.2	-74.1	-24.3	0	0	0	111.5	E117 S118 K124 N125 H163	E117-D121 WeakPolarHBondContact O-CB 3.43Å; E117-D121 PolarHBondContact O-N 2.85Å; S118-D121 PolarHBondContact O-N 3.47Å; D121-K124 PolarHBondContact O-N 3.07Å; D121-N125 VanDerWaalsContact O-CB 3.29Å; D121-N125 WeakPolarHBondContact O-CB 3.36Å; D121-N125 PolarHBondContact O-N 3.36Å; D121-N125 PolarHBondContact O-ND2 3.24Å; D121-H163 IonicContact OD1-CE1 2.81Å
122	K	93.7	Very high	93.6	Very high	74 Å²	74	42.7 Å²	42.7	32%	0.322	23%	0.23	S	C	.	.	H	α-helix	trans	-60.6	-46.1	173.5	-74.5	179.7	172	-169.6	0	112	A80 I88 S118 Y119 N125 T126	A80-K122 HydrophobicContact CB-CD 4.26Å; A80-K122 WeakPolarHBondContact O-CD 3.31Å; A80-K122 PolarHBondContact O-NZ 2.84Å; I88-K122 HydrophobicContact CD1-CB 3.67Å; I88-K122 HydrophobicContact CD1-CD 4.34Å; S118-K122 WeakPolarHBondContact O-CG 3.5Å; S118-K122 PolarHBondContact O-N 2.59Å; Y119-K122 PolarHBondContact O-N 3.48Å; K122-N125 PolarHBondContact O-N 3.12Å; K122-T126 WeakPolarHBondContact O-CG2 3.03Å; K122-T126 PolarHBondContact O-N 2.97Å
123	I	94.5	Very high	93.9	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-59.4	-49.1	175.6	-67.3	166.5	0	0	0	109.7	W73 I88 V104 L106 Y119 V120 N125 T126 I128 I131 F167	W73-I123 HydrophobicContact CZ3-CD1 4.27Å; I88-I123 HydrophobicContact CD1-CG1 4.16Å; I88-I123 HydrophobicContact CG1-CG1 4.4Å; V104-I123 HydrophobicContact CB-CD1 4.46Å; V104-I123 HydrophobicContact CG1-CD1 4.03Å; V104-I123 HydrophobicContact CG1-CG1 4.38Å; L106-I123 HydrophobicContact CD2-CD1 4.45Å; Y119-I123 WeakPolarHBondContact O-CG1 3.33Å; Y119-I123 PolarHBondContact O-N 2.88Å; V120-I123 PolarHBondContact O-N 3.32Å; I123-N125 VanDerWaalsContact C-N 3.34Å; I123-N125 PolarHBondContact O-N 2.7Å; I123-T126 PolarHBondContact O-N 3.02Å; I123-T126 VanDerWaalsContact O-N 3.11Å; I123-T126 PolarHBondContact O-OG1 2.89Å; I123-I128 HydrophobicContact CG2-CB 3.84Å; I123-I128 HydrophobicContact CG2-CG2 3.72Å; I123-I131 HydrophobicContact CD1-CD1 4.26Å; I123-I131 HydrophobicContact CG2-CD1 4.38Å; I123-I131 HydrophobicContact CG2-CG1 4.36Å; I123-F167 HydrophobicContact CG2-CE1 4.16Å
124	K	92.5	Very high	94.1	Very high	70 Å²	70	39 Å²	39	30%	0.304	21%	0.206	S	C	.	.	H	α-helix	trans	-57.6	-44.3	178.3	-175.5	169.7	179.1	-173.7	0	112.2	V120 D121 T126 G127 Y166 F167	V120-K124 WeakPolarHBondContact O-CB 3.49Å; V120-K124 PolarHBondContact O-N 3.02Å; D121-K124 PolarHBondContact O-N 3.07Å; K124-T126 PolarHBondContact O-N 2.8Å; K124-G127 WeakPolarHBondContact O-CA 3.33Å; K124-G127 PolarHBondContact O-N 3.04Å; K124-Y166 HydrophobicContact CB-CE1 4.29Å; K124-Y166 HydrophobicContact CD-CD1 4.38Å; K124-Y166 HydrophobicContact CD-CE1 4.09Å; K124-Y166 HydrophobicContact CG-CD1 4.44Å; K124-Y166 HydrophobicContact CG-CE1 3.69Å; K124-Y166 HydrophobicContact CG-CE2 4.47Å; K124-F167 HydrophobicContact CB-CZ 4.04Å
125	N	90	Very high	94	Very high	138 Å²	138	37.3 Å²	37.3	74%	0.738	19%	0.186	S	C	*	.	H	α-helix	trans	-66.6	-21	-179.9	-70.5	-18.1	0	0	0	113.1	D121 K122 I123 G127	D121-N125 VanDerWaalsContact O-CB 3.29Å; D121-N125 WeakPolarHBondContact O-CB 3.36Å; D121-N125 PolarHBondContact O-N 3.36Å; D121-N125 PolarHBondContact O-ND2 3.24Å; K122-N125 PolarHBondContact O-N 3.12Å; I123-N125 VanDerWaalsContact C-N 3.34Å; I123-N125 PolarHBondContact O-N 2.7Å; N125-G127 PolarHBondContact O-N 3.47Å
126	T	86.3	Confident	93.8	Very high	10 Å²	10	34 Å²	34	6%	0.061	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-5.8	169.4	69.2	0	0	0	0	113.8	I88 R95 K122 I123 K124 I128	I88-T126 HydrophobicContact CG2-CG2 3.49Å; I88-T126 VanDerWaalsContact CG2-CG2 3.49Å; R95-T126 PolarHBondContact NH1-O 3.36Å; K122-T126 WeakPolarHBondContact O-CG2 3.03Å; K122-T126 PolarHBondContact O-N 2.97Å; I123-T126 PolarHBondContact O-N 3.02Å; I123-T126 VanDerWaalsContact O-N 3.11Å; I123-T126 PolarHBondContact O-OG1 2.89Å; K124-T126 PolarHBondContact O-N 2.8Å; T126-I128 VanDerWaalsContact C-N 3.28Å; T126-I128 VanDerWaalsContact OG1-CD1 3.27Å; T126-I128 WeakPolarHBondContact OG1-CD1 3.47Å; T126-I128 VanDerWaalsContact OG1-CG1 3.28Å; T126-I128 WeakPolarHBondContact OG1-CG1 3.47Å
127	G	87.2	Confident	93.3	Very high	20 Å²	20	40.8 Å²	40.8	21%	0.206	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	8.8	-175.6	0	0	0	0	0	114	R95 K124 N125	R95-G127 PolarHBondContact NE-O 3.02Å; R95-G127 PolarHBondContact NH2-O 3.43Å; K124-G127 WeakPolarHBondContact O-CA 3.33Å; K124-G127 PolarHBondContact O-N 3.04Å; N125-G127 PolarHBondContact O-N 3.47Å
128	I	91.8	Very high	92.3	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.021	21%	0.21	C	C	.	.			trans	-73.7	137.3	173.5	-67.3	171.5	0	0	0	109	A91 V102 V104 I123 T126	A91-I128 HydrophobicContact CB-CD1 3.48Å; A91-I128 VanDerWaalsContact CB-CD1 3.48Å; V102-I128 HydrophobicContact CG1-CD1 4.48Å; V104-I128 HydrophobicContact CG2-CD1 3.67Å; V104-I128 HydrophobicContact CG2-CG2 4.16Å; I123-I128 HydrophobicContact CG2-CB 3.84Å; I123-I128 HydrophobicContact CG2-CG2 3.72Å; T126-I128 VanDerWaalsContact C-N 3.28Å; T126-I128 VanDerWaalsContact OG1-CD1 3.27Å; T126-I128 WeakPolarHBondContact OG1-CD1 3.47Å; T126-I128 VanDerWaalsContact OG1-CG1 3.28Å; T126-I128 WeakPolarHBondContact OG1-CG1 3.47Å
129	R	93.8	Very high	91.1	Very high	62 Å²	62	43.4 Å²	43.4	23%	0.234	23%	0.228	C	C	.	.			trans	-121.6	8.8	-177	-64.5	-168.6	176.5	175.6	2.3	113.2	E8 Y166 F167 T168	E8-R129 IonicContact OE1-CZ 3.76Å; E8-R129 IonicContact OE1-NH2 3.89Å; E8-R129 PolarHBondContact OE1-NH2 3.06Å; R129-Y166 HydrophobicContact CG-CE1 4.04Å; R129-Y166 HydrophobicContact CG-CE2 4.4Å; R129-F167 CarbonylContact O-C 3.56Å; R129-F167 WeakPolarHBondContact O-CA 3.38Å; R129-T168 PolarHBondContact O-N 2.73Å
130	N	97.3	Very high	89.5	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.016	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	133.4	-174.9	-37	-67.5	0	0	0	110.6	L23 D101 V102 V103 V104 T168	L23-N130 VanDerWaalsContact CB-OD1 3.25Å; L23-N130 WeakPolarHBondContact CB-OD1 3.29Å; L23-N130 HydrophobicContact CD2-CB 4.18Å; D101-N130 PolarHBondContact OD1-ND2 2.88Å; V102-N130 PolarHBondContact O-ND2 2.72Å; V103-N130 WeakPolarHBondContact CA-O 3.34Å; V103-N130 HydrophobicContact CB-CB 3.98Å; V103-N130 HydrophobicContact CG1-CB 3.83Å; V103-N130 HydrophobicContact CG2-CB 3.68Å; V104-N130 PolarHBondContact N-O 3.31Å; N130-T168 CarbonylContact C-O 3.57Å; N130-T168 VanDerWaalsContact CA-O 3.29Å; N130-T168 WeakPolarHBondContact CA-O 3.31Å
131	I	98.4	Very high	87.8	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135.9	-178.3	-67.7	174.7	0	0	0	109.7	V104 L106 I123 L159 F167 T168 I169 A170	V104-I131 CarbonylContact O-C 3.6Å; V104-I131 VanDerWaalsContact O-CA 3.25Å; V104-I131 WeakPolarHBondContact O-CA 3.2Å; L106-I131 HydrophobicContact CB-CG2 3.73Å; L106-I131 HydrophobicContact CD2-CD1 4.41Å; L106-I131 HydrophobicContact CD2-CG2 4.44Å; I123-I131 HydrophobicContact CD1-CD1 4.26Å; I123-I131 HydrophobicContact CG2-CD1 4.38Å; I123-I131 HydrophobicContact CG2-CG1 4.36Å; I131-L159 HydrophobicContact CB-CD1 4.49Å; I131-L159 HydrophobicContact CD1-CD1 4.31Å; I131-L159 HydrophobicContact CD1-CD2 3.77Å; I131-L159 HydrophobicContact CG2-CD1 4.07Å; I131-F167 HydrophobicContact CD1-CD1 3.73Å; I131-F167 HydrophobicContact CD1-CD2 4.35Å; I131-F167 HydrophobicContact CD1-CE1 3.76Å; I131-F167 HydrophobicContact CD1-CE2 4.37Å; I131-F167 HydrophobicContact CD1-CG 4.04Å; I131-F167 HydrophobicContact CD1-CZ 4.08Å; I131-F167 HydrophobicContact CG1-CD1 4.02Å; I131-F167 HydrophobicContact CG1-CE1 4.29Å; I131-T168 PolarHBondContact N-O 2.8Å; I131-I169 CarbonylContact O-C 3.53Å; I131-I169 WeakPolarHBondContact O-CA 3.35Å; I131-A170 PolarHBondContact O-N 2.88Å
132	V	98.5	Very high	85.9	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.024	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	108.4	160.5	-169.8	0	0	0	0	107.7	V103 V104 H105 L106 L134 A170 I203	V103-V132 HydrophobicContact CB-CG2 4.44Å; V103-V132 HydrophobicContact CG1-CG2 3.49Å; V103-V132 VanDerWaalsContact CG1-CG2 3.49Å; V104-V132 PolarHBondContact O-N 3.41Å; H105-V132 VanDerWaalsContact CD2-CB 3.46Å; H105-V132 WeakPolarHBondContact CD2-CB 3.42Å; H105-V132 VanDerWaalsContact CD2-CG2 3.4Å; H105-V132 WeakPolarHBondContact CD2-CG2 3.31Å; L106-V132 PolarHBondContact N-O 2.95Å; V132-L134 HydrophobicContact CG1-CD1 4.4Å; V132-L134 HydrophobicContact CG1-CD2 3.87Å; V132-L134 HydrophobicContact CG1-CG 3.98Å; V132-L134 PolarHBondContact O-N 3.23Å; V132-A170 CarbonylContact C-O 3.15Å; V132-A170 WeakPolarHBondContact CA-O 3.48Å; V132-A170 HydrophobicContact CB-CB 4.41Å; V132-A170 HydrophobicContact CG1-CB 4.3Å; V132-A170 HydrophobicContact CG2-CB 4.08Å; V132-I203 HydrophobicContact CG2-CD1 4.32Å
133	A	98.2	Very high	84.2	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	115.2	179.7	0	0	0	0	0	110.2	L155 V156 L159 I169 A170 V171	A133-L155 HydrophobicContact CB-CB 4.47Å; A133-L155 HydrophobicContact CB-CD2 3.79Å; A133-L155 HydrophobicContact CB-CG 4.05Å; A133-V156 HydrophobicContact CB-CG2 3.9Å; A133-L159 HydrophobicContact CB-CD1 4.41Å; A133-I169 HydrophobicContact CB-CG2 3.95Å; A133-A170 PolarHBondContact N-O 3.28Å; A133-V171 HydrophobicContact CB-CG1 4.25Å
134	L	96.4	Very high	82.6	Confident	33 Å²	33	57.1 Å²	57.1	17%	0.173	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	156	-176	-62	176.6	0	0	0	110.7	H105 L106 T107 C108 V132 A172	H105-L134 HydrophobicContact CB-CD1 4.07Å; H105-L134 WeakPolarHBondContact ND1-CD1 3.21Å; L106-L134 PolarHBondContact O-N 3.48Å; T107-L134 VanDerWaalsContact CA-O 3.3Å; T107-L134 WeakPolarHBondContact CA-O 3.47Å; T107-L134 HydrophobicContact CG2-CB 4.13Å; C108-L134 PolarHBondContact N-O 3.32Å; C108-L134 VanDerWaalsContact N-O 3.11Å; V132-L134 HydrophobicContact CG1-CD1 4.4Å; V132-L134 HydrophobicContact CG1-CD2 3.87Å; V132-L134 HydrophobicContact CG1-CG 3.98Å; V132-L134 PolarHBondContact O-N 3.23Å; L134-A172 HydrophobicContact CD2-CB 3.76Å
135	R	92.8	Very high	81.1	Confident	48 Å²	48	59.2 Å²	59.2	18%	0.181	33%	0.332	C	S	.	.			trans	-70.4	-49	168.3	-176.9	-172.2	71.7	177.1	4.5	109.9	C108 V109 A150 E180	C108-R135 PolarHBondContact N-O 2.91Å; C108-R135 VanDerWaalsContact N-O 3.12Å; V109-R135 HydrophobicContact CB-CG 4.11Å; V109-R135 VanDerWaalsContact CB-O 3.27Å; V109-R135 WeakPolarHBondContact CB-O 3.3Å; V109-R135 VanDerWaalsContact CG1-O 3.26Å; V109-R135 WeakPolarHBondContact CG1-O 3.37Å; V109-R135 PolarHBondContact N-O 2.94Å; R135-A150 VanDerWaalsContact CD-O 3.26Å; R135-A150 WeakPolarHBondContact CD-O 3.4Å; R135-E180 IonicContact CZ-OE1 3.88Å; R135-E180 IonicContact CZ-OE2 3.28Å; R135-E180 VanDerWaalsContact CZ-OE2 3.28Å; R135-E180 IonicContact NH1-OE1 3.99Å; R135-E180 IonicContact NH1-OE2 2.67Å; R135-E180 PolarHBondContact NH1-OE2 3.2Å; R135-E180 IonicContact NH2-OE1 2.89Å; R135-E180 PolarHBondContact NH2-OE1 3.07Å; R135-E180 IonicContact NH2-OE2 3.02Å; R135-E180 PolarHBondContact NH2-OE2 3.08Å
136	G	88.5	Confident	80.1	Confident	13 Å²	13	57.3 Å²	57.3	13%	0.134	33%	0.33	C	S	.	.			trans	88.1	168.5	-166.9	0	0	0	0	0	112.5
137	D	83.5	Confident	79.5	Confident	142 Å²	142	59.8 Å²	59.8	76%	0.759	34%	0.341	S	S	*	.			trans	-90.4	149	-179.1	-57.7	-31	0	0	0	111.3
138	T	75.1	Confident	79.4	Confident	37 Å²	37	65.4 Å²	65.4	23%	0.227	36%	0.36	C	S	.	.			trans	-117.9	146.1	174.3	66.5	0	0	0	0	111	V109 S140 P142	V109-T138 HydrophobicContact CB-CG2 4.14Å; V109-T138 HydrophobicContact CG1-CG2 3.79Å; V109-T138 HydrophobicContact CG2-CG2 3.31Å; T138-S140 VanDerWaalsContact CB-O 3.26Å; T138-S140 WeakPolarHBondContact CB-O 3.41Å; T138-S140 PolarHBondContact OG1-O 2.87Å; T138-P142 HydrophobicContact CG2-CG 4.21Å
139	T	68.3	Low	79.3	Confident	123 Å²	123	65.8 Å²	65.8	76%	0.755	36%	0.361	S	S	*	.	S	Bend	trans	-83	-31.3	175.3	49.2	0	0	0	0	112.4
140	S	62.7	Low	78.9	Confident	71 Å²	71	63.5 Å²	63.5	50%	0.497	36%	0.356	S	S	.	.	S	Bend	trans	-102.7	152	170.8	54.8	0	0	0	0	109.8	T138 P142	T138-S140 VanDerWaalsContact CB-O 3.26Å; T138-S140 WeakPolarHBondContact CB-O 3.41Å; T138-S140 PolarHBondContact OG1-O 2.87Å; S140-P142 WeakPolarHBondContact O-CD 3.11Å; S140-P142 VanDerWaalsContact O-N 3.13Å
141	K	59.4	Low	78.6	Confident	205 Å²	205	65 Å²	65	89%	0.891	36%	0.363	S	S	*	.			trans	-66.4	105.5	160.9	-76.5	-176.2	177.5	-179.6	0	106.2
142	P	55	Low	78.4	Confident	25 Å²	25	65.3 Å²	65.3	16%	0.162	37%	0.366	C	S	.	.			trans	-67.3	146.5	-177.5	26.1	-25.7	0	0	0	108.5	T138 S140 L144 M147	T138-P142 HydrophobicContact CG2-CG 4.21Å; S140-P142 WeakPolarHBondContact O-CD 3.11Å; S140-P142 VanDerWaalsContact O-N 3.13Å; P142-L144 HydrophobicContact CG-CD2 4.28Å; P142-L144 HydrophobicContact CG-CG 4.14Å; P142-L144 PolarHBondContact O-N 3.4Å; P142-M147 HydrophobicContact CB-CE 3.35Å; P142-M147 HydrophobicContact CB-SD 3.57Å; P142-M147 VanDerWaalsContact CB-SD 3.57Å; P142-M147 HydrophobicContact CG-SD 4.31Å
143	T	58.9	Low	78.4	Confident	102 Å²	102	65.1 Å²	65.1	63%	0.626	37%	0.365	S	S	*	.			trans	-67.1	83.8	160.4	-42.3	0	0	0	0	106.8	S145 S146	T143-S145 PolarHBondContact O-N 3.46Å; T143-S146 PolarHBondContact O-N 2.82Å; T143-S146 PolarHBondContact O-OG 2.87Å
144	L	60.1	Low	78.3	Confident	89 Å²	89	67 Å²	67	47%	0.466	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-50.8	-29.8	-171.1	-78.9	147.2	0	0	0	113.1	P142 S146 M147 A150	P142-L144 HydrophobicContact CG-CD2 4.28Å; P142-L144 HydrophobicContact CG-CG 4.14Å; P142-L144 PolarHBondContact O-N 3.4Å; L144-S146 VanDerWaalsContact C-N 3.29Å; L144-S146 PolarHBondContact O-N 2.9Å; L144-M147 PolarHBondContact O-N 3.23Å; L144-A150 HydrophobicContact CD2-CB 3.98Å
145	S	61.8	Low	78.3	Confident	114 Å²	114	65.5 Å²	65.5	80%	0.797	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-66.2	-22.8	-175.6	54.5	0	0	0	0	114.7	T143	T143-S145 PolarHBondContact O-N 3.46Å
146	S	67.4	Low	78.6	Confident	99 Å²	99	63.2 Å²	63.2	69%	0.692	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-96.8	-5.9	179.5	62.7	0	0	0	0	113.9	T143 L144	T143-S146 PolarHBondContact O-N 2.82Å; T143-S146 PolarHBondContact O-OG 2.87Å; L144-S146 VanDerWaalsContact C-N 3.29Å; L144-S146 PolarHBondContact O-N 2.9Å
147	M	75.1	Confident	79	Confident	61 Å²	61	65.9 Å²	65.9	30%	0.3	37%	0.367	S	S	.	.			trans	-94.7	122.7	-173.8	-66.6	-168	174.2	0	0	112.3	V109 P142 L144 Y149 A150	V109-M147 HydrophobicContact CG2-SD 4.48Å; P142-M147 HydrophobicContact CB-CE 3.35Å; P142-M147 HydrophobicContact CB-SD 3.57Å; P142-M147 VanDerWaalsContact CB-SD 3.57Å; P142-M147 HydrophobicContact CG-SD 4.31Å; L144-M147 PolarHBondContact O-N 3.23Å; M147-Y149 VanDerWaalsContact C-N 3.3Å; M147-Y149 PolarHBondContact O-N 3.49Å; M147-A150 HydrophobicContact CB-CB 4.41Å
148	K	84.3	Confident	79.7	Confident	138 Å²	138	59.9 Å²	59.9	60%	0.6	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-37.4	175.4	-175	174.5	177.8	-177.4	0	112.9	T113 Q154	T113-K148 WeakPolarHBondContact OG1-CE 3.34Å; T113-K148 PolarHBondContact OG1-NZ 2.92Å; K148-Q154 WeakPolarHBondContact O-CG 3.48Å
149	Y	89.3	Confident	80.8	Confident	12 Å²	12	58.2 Å²	58.2	5%	0.047	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	56.3	-179.2	-63	-75.3	0	0	0	111.8	C108 C111 T113 L116 M147 N151 Q154 L158	C108-Y149 HydrophobicContact CB-CD1 4.25Å; C108-Y149 HydrophobicContact CB-CG 4.23Å; C108-Y149 VanDerWaalsContact O-CB 3.32Å; C108-Y149 WeakPolarHBondContact O-CB 3.4Å; C111-Y149 WeakPolarHBondContact O-CD2 3.44Å; T113-Y149 WeakPolarHBondContact CG2-OH 3.47Å; T113-Y149 WeakPolarHBondContact OG1-CE2 3.25Å; T113-Y149 PolarHBondContact OG1-OH 3.1Å; L116-Y149 HydrophobicContact CD1-CD1 3.76Å; L116-Y149 HydrophobicContact CD1-CD2 3.65Å; L116-Y149 HydrophobicContact CD1-CE1 3.76Å; L116-Y149 HydrophobicContact CD1-CE2 3.63Å; L116-Y149 HydrophobicContact CD1-CG 3.73Å; M147-Y149 VanDerWaalsContact C-N 3.3Å; M147-Y149 PolarHBondContact O-N 3.49Å; Y149-N151 VanDerWaalsContact C-N 3.28Å; Y149-N151 PolarHBondContact O-N 2.99Å; Y149-Q154 HydrophobicContact CD1-CB 3.6Å; Y149-Q154 HydrophobicContact CE1-CB 4.06Å; Y149-L158 HydrophobicContact CE1-CB 4.3Å; Y149-L158 HydrophobicContact CE1-CD2 4.15Å
150	A	86.7	Confident	82.2	Confident	15 Å²	15	54.1 Å²	54.1	12%	0.124	30%	0.295	C	S	.	.	S	Bend	trans	-68.6	-23.2	-179.3	0	0	0	0	0	113.7	R135 L144 M147	R135-A150 VanDerWaalsContact CD-O 3.26Å; R135-A150 WeakPolarHBondContact CD-O 3.4Å; L144-A150 HydrophobicContact CD2-CB 3.98Å; M147-A150 HydrophobicContact CB-CB 4.41Å
151	N	90.7	Very high	83.8	Confident	33 Å²	33	58.7 Å²	58.7	18%	0.176	31%	0.306	C	S	.	.	S	Bend	trans	-150.2	173.8	177.1	64.7	69.2	0	0	0	111.7	C108 Y149 V153 Q154	C108-N151 PolarHBondContact SG-O 3.39Å; C108-N151 VanDerWaalsContact SG-O 3.34Å; Y149-N151 VanDerWaalsContact C-N 3.28Å; Y149-N151 PolarHBondContact O-N 2.99Å; N151-V153 PolarHBondContact O-N 3.27Å; N151-V153 WeakPolarHBondContact OD1-CB 3.37Å; N151-V153 WeakPolarHBondContact OD1-CG2 3.43Å; N151-V153 PolarHBondContact OD1-N 3.06Å; N151-Q154 VanDerWaalsContact CG-OE1 3.23Å; N151-Q154 PolarHBondContact ND2-OE1 3.49Å; N151-Q154 PolarHBondContact O-N 3.28Å; N151-Q154 PolarHBondContact O-OE1 3.34Å; N151-Q154 PolarHBondContact OD1-OE1 2.82Å; N151-Q154 VanDerWaalsContact OD1-OE1 3.11Å
152	A	95.1	Very high	85.6	Confident	7 Å²	7	53.9 Å²	53.9	6%	0.058	29%	0.285	C	S	.	.	H	α-helix	trans	-69.1	-15.5	-175.4	0	0	0	0	0	114.2	Q154 L155 V156 K194	A152-Q154 VanDerWaalsContact C-N 3.28Å; A152-Q154 PolarHBondContact O-N 3.28Å; A152-L155 PolarHBondContact O-N 2.94Å; A152-L155 VanDerWaalsContact O-N 3.14Å; A152-V156 WeakPolarHBondContact O-CG2 3.47Å; A152-V156 PolarHBondContact O-N 3.43Å; A152-K194 HydrophobicContact CB-CD 3.88Å
153	V	96.8	Very high	87.6	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.006	29%	0.285	C	S	.	.	H	α-helix	trans	-57.8	-44.7	176.5	-179	0	0	0	0	110	N151 L155 V156 Q157 F190 R193 K194 E197	N151-V153 PolarHBondContact O-N 3.27Å; N151-V153 WeakPolarHBondContact OD1-CB 3.37Å; N151-V153 WeakPolarHBondContact OD1-CG2 3.43Å; N151-V153 PolarHBondContact OD1-N 3.06Å; V153-L155 VanDerWaalsContact C-N 3.28Å; V153-L155 PolarHBondContact O-N 3.41Å; V153-V156 PolarHBondContact O-N 3Å; V153-Q157 WeakPolarHBondContact O-CG 3.48Å; V153-Q157 PolarHBondContact O-N 3.27Å; V153-F190 HydrophobicContact CG2-CD1 4.45Å; V153-R193 HydrophobicContact CG1-CB 4.3Å; V153-R193 HydrophobicContact CG2-CB 3.96Å; V153-K194 HydrophobicContact CB-CG 4.37Å; V153-K194 HydrophobicContact CG2-CG 3.53Å; V153-E197 HydrophobicContact CG1-CG 3.57Å
154	Q	96.3	Very high	89.3	Confident	40 Å²	40	51 Å²	51	19%	0.187	27%	0.27	C	S	.	.	H	α-helix	trans	-68.2	-27.6	-180	-66.2	94.3	11.3	0	0	113.1	K148 Y149 N151 A152 L158	K148-Q154 WeakPolarHBondContact O-CG 3.48Å; Y149-Q154 HydrophobicContact CD1-CB 3.6Å; Y149-Q154 HydrophobicContact CE1-CB 4.06Å; N151-Q154 VanDerWaalsContact CG-OE1 3.23Å; N151-Q154 PolarHBondContact ND2-OE1 3.49Å; N151-Q154 PolarHBondContact O-N 3.28Å; N151-Q154 PolarHBondContact O-OE1 3.34Å; N151-Q154 PolarHBondContact OD1-OE1 2.82Å; N151-Q154 VanDerWaalsContact OD1-OE1 3.11Å; A152-Q154 VanDerWaalsContact C-N 3.28Å; A152-Q154 PolarHBondContact O-N 3.28Å; Q154-L158 WeakPolarHBondContact O-CB 3.41Å; Q154-L158 PolarHBondContact O-N 3.47Å
155	L	97.4	Very high	91	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-71.3	-43.9	174.1	-178	57.9	0	0	0	111.3	L106 C108 L116 A133 A152 V153 Q157 L158 L159	L106-L155 HydrophobicContact CB-CD2 4.2Å; L106-L155 HydrophobicContact CD2-CD1 3.94Å; L106-L155 HydrophobicContact CD2-CD2 4.28Å; L106-L155 HydrophobicContact CG-CD1 4.37Å; L106-L155 HydrophobicContact CG-CD2 4Å; L106-L155 WeakPolarHBondContact O-CD2 3.48Å; C108-L155 HydrophobicContact CB-CB 3.86Å; C108-L155 HydrophobicContact CB-CD1 4.31Å; C108-L155 HydrophobicContact CB-CD2 4.05Å; C108-L155 HydrophobicContact CB-CG 4.29Å; L116-L155 HydrophobicContact CD1-CD1 4.32Å; L116-L155 HydrophobicContact CD2-CD1 4.4Å; A133-L155 HydrophobicContact CB-CB 4.47Å; A133-L155 HydrophobicContact CB-CD2 3.79Å; A133-L155 HydrophobicContact CB-CG 4.05Å; A152-L155 PolarHBondContact O-N 2.94Å; A152-L155 VanDerWaalsContact O-N 3.14Å; V153-L155 VanDerWaalsContact C-N 3.28Å; V153-L155 PolarHBondContact O-N 3.41Å; L155-Q157 VanDerWaalsContact C-N 3.32Å; L155-Q157 PolarHBondContact O-N 3.15Å; L155-L158 PolarHBondContact O-N 3.3Å; L155-L159 HydrophobicContact CD1-CD1 4.43Å; L155-L159 HydrophobicContact CD1-CG 4.33Å; L155-L159 HydrophobicContact CG-CD1 4.19Å; L155-L159 VanDerWaalsContact O-CG 3.3Å; L155-L159 WeakPolarHBondContact O-CG 3.39Å; L155-L159 PolarHBondContact O-N 2.84Å
156	V	98.5	Very high	92.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.9	-47.1	174.7	-179.5	0	0	0	0	110.2	A133 A152 V153 L158 L159 R160 I169 V171 E197 A199	A133-V156 HydrophobicContact CB-CG2 3.9Å; A152-V156 WeakPolarHBondContact O-CG2 3.47Å; A152-V156 PolarHBondContact O-N 3.43Å; V153-V156 PolarHBondContact O-N 3Å; V156-L158 PolarHBondContact O-N 2.81Å; V156-L159 PolarHBondContact O-N 2.88Å; V156-R160 PolarHBondContact O-N 2.82Å; V156-I169 HydrophobicContact CG1-CD1 4.34Å; V156-I169 HydrophobicContact CG1-CG2 4.45Å; V156-I169 HydrophobicContact CG2-CG2 4.08Å; V156-V171 HydrophobicContact CG2-CG1 3.75Å; V156-E197 HydrophobicContact CB-CB 4.3Å; V156-E197 HydrophobicContact CG1-CB 3.93Å; V156-E197 WeakPolarHBondContact CG1-O 3.39Å; V156-A199 HydrophobicContact CG1-CB 4.5Å
157	Q	97.5	Very high	94	Very high	70 Å²	70	44.6 Å²	44.6	33%	0.327	22%	0.216	S	C	.	.	H	α-helix	trans	-54.6	-48.8	174.6	-76.7	174.9	-19.5	0	0	112.3	V153 L155 R160 F161 E197	V153-Q157 WeakPolarHBondContact O-CG 3.48Å; V153-Q157 PolarHBondContact O-N 3.27Å; L155-Q157 VanDerWaalsContact C-N 3.32Å; L155-Q157 PolarHBondContact O-N 3.15Å; Q157-R160 PolarHBondContact O-N 2.61Å; Q157-F161 WeakPolarHBondContact O-CB 3.27Å; Q157-F161 PolarHBondContact O-N 3.38Å; Q157-E197 HydrophobicContact CG-CB 3.86Å; Q157-E197 VanDerWaalsContact CG-CD 3.45Å; Q157-E197 HydrophobicContact CG-CG 3.57Å; Q157-E197 WeakPolarHBondContact CG-OE2 3.36Å; Q157-E197 PolarHBondContact NE2-OE1 2.99Å; Q157-E197 PolarHBondContact NE2-OE2 2.76Å
158	L	97.4	Very high	95	Very high	16 Å²	16	41.7 Å²	41.7	8%	0.084	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-47.6	179.4	179.7	69.5	0	0	0	111.4	T113 L116 E117 Y149 Q154 L155 V156 R160 F161 K162	T113-L158 HydrophobicContact CG2-CD1 4.09Å; L116-L158 HydrophobicContact CB-CD2 3.7Å; L116-L158 HydrophobicContact CD1-CD2 4.12Å; E117-L158 HydrophobicContact CG-CD1 4.48Å; Y149-L158 HydrophobicContact CE1-CB 4.3Å; Y149-L158 HydrophobicContact CE1-CD2 4.15Å; Q154-L158 WeakPolarHBondContact O-CB 3.41Å; Q154-L158 PolarHBondContact O-N 3.47Å; L155-L158 PolarHBondContact O-N 3.3Å; V156-L158 PolarHBondContact O-N 2.81Å; L158-R160 PolarHBondContact O-N 2.91Å; L158-F161 PolarHBondContact O-N 3.46Å; L158-K162 HydrophobicContact CD1-CG 3.94Å; L158-K162 WeakPolarHBondContact O-CB 3.38Å; L158-K162 PolarHBondContact O-N 2.77Å
159	L	98.2	Very high	95.7	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-59.7	-46.9	-179.6	-71.8	170.8	0	0	0	111.3	V120 I131 A133 L155 V156 H163 F167 I169	V120-L159 HydrophobicContact CB-CD2 4.39Å; V120-L159 HydrophobicContact CG1-CD2 3.83Å; V120-L159 HydrophobicContact CG2-CD2 3.52Å; I131-L159 HydrophobicContact CB-CD1 4.49Å; I131-L159 HydrophobicContact CD1-CD1 4.31Å; I131-L159 HydrophobicContact CD1-CD2 3.77Å; I131-L159 HydrophobicContact CG2-CD1 4.07Å; A133-L159 HydrophobicContact CB-CD1 4.41Å; L155-L159 HydrophobicContact CD1-CD1 4.43Å; L155-L159 HydrophobicContact CD1-CG 4.33Å; L155-L159 HydrophobicContact CG-CD1 4.19Å; L155-L159 VanDerWaalsContact O-CG 3.3Å; L155-L159 WeakPolarHBondContact O-CG 3.39Å; L155-L159 PolarHBondContact O-N 2.84Å; V156-L159 PolarHBondContact O-N 2.88Å; L159-H163 WeakPolarHBondContact O-CA 3.27Å; L159-H163 WeakPolarHBondContact O-CB 3.47Å; L159-H163 PolarHBondContact O-N 3.31Å; L159-F167 HydrophobicContact CD2-CD2 4.2Å; L159-F167 HydrophobicContact CD2-CE2 4.36Å; L159-I169 HydrophobicContact CB-CD1 3.6Å; L159-I169 HydrophobicContact CD1-CD1 3.87Å; L159-I169 HydrophobicContact CD1-CG1 4.2Å; L159-I169 HydrophobicContact CD1-CG2 4.43Å; L159-I169 HydrophobicContact CG-CD1 4.39Å
160	R	98.1	Very high	96.2	Very high	37 Å²	37	34.6 Å²	34.6	14%	0.14	17%	0.171	C	C	.	.	H	α-helix	trans	-67.3	-45.7	177.7	-71.6	-72.6	176.9	-115.3	0.6	112.3	V156 Q157 L158 K162 G164 F167 I169 E197 G198 D200	V156-R160 PolarHBondContact O-N 2.82Å; Q157-R160 PolarHBondContact O-N 2.61Å; L158-R160 PolarHBondContact O-N 2.91Å; R160-K162 VanDerWaalsContact C-N 3.34Å; R160-K162 PolarHBondContact O-N 3.05Å; R160-G164 PolarHBondContact NH1-O 3.09Å; R160-G164 WeakPolarHBondContact O-CA 3.05Å; R160-G164 PolarHBondContact O-N 2.79Å; R160-F167 PolarHBondContact NH1-O 3.49Å; R160-I169 HydrophobicContact CG-CD1 4.08Å; R160-E197 WeakPolarHBondContact CG-O 3.35Å; R160-G198 VanDerWaalsContact CZ-O 3.23Å; R160-G198 PolarHBondContact NE-O 2.99Å; R160-G198 PolarHBondContact NH2-O 3.46Å; R160-D200 IonicContact CZ-OD2 3.65Å; R160-D200 IonicContact NH2-OD1 2.76Å; R160-D200 PolarHBondContact NH2-OD1 3.42Å; R160-D200 IonicContact NH2-OD2 3.72Å; R160-D200 PolarHBondContact NH2-OD2 3.15Å
161	F	96.9	Very high	96.8	Very high	168 Å²	168	33.9 Å²	33.9	74%	0.737	17%	0.165	S	C	*	.	H	α-helix	trans	-61.2	-40.8	-179.8	179.8	-105.3	0	0	0	112.6	Q157 L158	Q157-F161 WeakPolarHBondContact O-CB 3.27Å; Q157-F161 PolarHBondContact O-N 3.38Å; L158-F161 PolarHBondContact O-N 3.46Å
162	K	96.7	Very high	97.1	Very high	103 Å²	103	33 Å²	33	45%	0.448	16%	0.162	S	C	.	.	H	α-helix	trans	-89.6	-30.2	-175.9	-67.8	-67.6	-178.6	138.6	0	114.4	E117 L158 R160	E117-K162 WeakPolarHBondContact OE1-CE 3.42Å; E117-K162 IonicContact OE1-NZ 3.27Å; E117-K162 PolarHBondContact OE1-NZ 3.28Å; L158-K162 HydrophobicContact CD1-CG 3.94Å; L158-K162 WeakPolarHBondContact O-CB 3.38Å; L158-K162 PolarHBondContact O-N 2.77Å; R160-K162 VanDerWaalsContact C-N 3.34Å; R160-K162 PolarHBondContact O-N 3.05Å
163	H	96.2	Very high	97.2	Very high	35 Å²	35	32.7 Å²	32.7	16%	0.162	16%	0.16	C	C	.	.	H	α-helix	trans	-126.4	2	-170.9	-55.4	-82.2	0	0	0	114.3	V120 D121 L159 D165 Y166 F167	V120-H163 WeakPolarHBondContact CG1-NE2 3.45Å; D121-H163 IonicContact OD1-CE1 2.81Å; L159-H163 WeakPolarHBondContact O-CA 3.27Å; L159-H163 WeakPolarHBondContact O-CB 3.47Å; L159-H163 PolarHBondContact O-N 3.31Å; H163-D165 PolarHBondContact O-N 2.73Å; H163-Y166 WeakPolarHBondContact O-CB 3.27Å; H163-Y166 PolarHBondContact O-N 3.43Å; H163-Y166 VanDerWaalsContact O-N 3.12Å; H163-F167 HydrophobicContact CB-CD2 3.82Å; H163-F167 HydrophobicContact CB-CE2 3.83Å; H163-F167 AromaticContact CD2-CE2 3.9Å; H163-F167 AromaticContact CG-CE2 3.66Å
164	G	95.6	Very high	97.3	Very high	31 Å²	31	35.1 Å²	35.1	32%	0.32	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	-127.1	-179	0	0	0	0	0	111.9	R160 Y166	R160-G164 PolarHBondContact NH1-O 3.09Å; R160-G164 WeakPolarHBondContact O-CA 3.05Å; R160-G164 PolarHBondContact O-N 2.79Å; G164-Y166 VanDerWaalsContact C-N 3.35Å
165	D	94.6	Very high	97.3	Very high	111 Å²	111	33.5 Å²	33.5	59%	0.594	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	9.4	-176.9	-62.5	-34.1	0	0	0	114.3	R24 H163 F167	R24-D165 PolarHBondContact NH1-O 2.75Å; R24-D165 PolarHBondContact NH2-O 3.38Å; H163-D165 PolarHBondContact O-N 2.73Å; D165-F167 VanDerWaalsContact C-N 3.28Å; D165-F167 PolarHBondContact O-N 2.75Å
166	Y	94.5	Very high	97.2	Very high	57 Å²	57	37.2 Å²	37.2	22%	0.224	18%	0.182	C	C	.	.	S	Bend	trans	-57.5	-43.2	178.9	178.7	-91.2	0	0	0	111.7	K124 R129 H163 G164	K124-Y166 HydrophobicContact CB-CE1 4.29Å; K124-Y166 HydrophobicContact CD-CD1 4.38Å; K124-Y166 HydrophobicContact CD-CE1 4.09Å; K124-Y166 HydrophobicContact CG-CD1 4.44Å; K124-Y166 HydrophobicContact CG-CE1 3.69Å; K124-Y166 HydrophobicContact CG-CE2 4.47Å; R129-Y166 HydrophobicContact CG-CE1 4.04Å; R129-Y166 HydrophobicContact CG-CE2 4.4Å; H163-Y166 WeakPolarHBondContact O-CB 3.27Å; H163-Y166 PolarHBondContact O-N 3.43Å; H163-Y166 VanDerWaalsContact O-N 3.12Å; G164-Y166 VanDerWaalsContact C-N 3.35Å
167	F	97.2	Very high	97	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-93.1	137	179.2	-65.5	-71.7	0	0	0	111.9	R24 V120 I123 K124 R129 I131 L159 R160 H163 D165 I169	R24-F167 PolarHBondContact NH1-O 3.11Å; V120-F167 HydrophobicContact CG1-CD2 4.44Å; V120-F167 HydrophobicContact CG1-CE2 3.37Å; V120-F167 HydrophobicContact CG1-CZ 3.57Å; I123-F167 HydrophobicContact CG2-CE1 4.16Å; K124-F167 HydrophobicContact CB-CZ 4.04Å; R129-F167 CarbonylContact O-C 3.56Å; R129-F167 WeakPolarHBondContact O-CA 3.38Å; I131-F167 HydrophobicContact CD1-CD1 3.73Å; I131-F167 HydrophobicContact CD1-CD2 4.35Å; I131-F167 HydrophobicContact CD1-CE1 3.76Å; I131-F167 HydrophobicContact CD1-CE2 4.37Å; I131-F167 HydrophobicContact CD1-CG 4.04Å; I131-F167 HydrophobicContact CD1-CZ 4.08Å; I131-F167 HydrophobicContact CG1-CD1 4.02Å; I131-F167 HydrophobicContact CG1-CE1 4.29Å; L159-F167 HydrophobicContact CD2-CD2 4.2Å; L159-F167 HydrophobicContact CD2-CE2 4.36Å; R160-F167 PolarHBondContact NH1-O 3.49Å; H163-F167 HydrophobicContact CB-CD2 3.82Å; H163-F167 HydrophobicContact CB-CE2 3.83Å; H163-F167 AromaticContact CD2-CE2 3.9Å; H163-F167 AromaticContact CG-CE2 3.66Å; D165-F167 VanDerWaalsContact C-N 3.28Å; D165-F167 PolarHBondContact O-N 2.75Å; F167-I169 HydrophobicContact CB-CG1 4.11Å
168	T	98.1	Very high	96.8	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	125.9	152.8	-66.6	0	0	0	0	109	L23 R24 R129 N130 I131 D200 F201	L23-T168 HydrophobicContact CB-CG2 4.04Å; L23-T168 HydrophobicContact CD2-CG2 4.47Å; L23-T168 HydrophobicContact CG-CG2 4.38Å; L23-T168 PolarHBondContact N-OG1 2.79Å; R24-T168 HydrophobicContact CB-CG2 3.91Å; R24-T168 PolarHBondContact N-OG1 3.46Å; R129-T168 PolarHBondContact O-N 2.73Å; N130-T168 CarbonylContact C-O 3.57Å; N130-T168 VanDerWaalsContact CA-O 3.29Å; N130-T168 WeakPolarHBondContact CA-O 3.31Å; I131-T168 PolarHBondContact N-O 2.8Å; T168-D200 WeakPolarHBondContact CA-OD2 3.27Å; T168-D200 HydrophobicContact CG2-CB 4.04Å; T168-F201 HydrophobicContact CG2-CD1 4Å; T168-F201 HydrophobicContact CG2-CE1 3.58Å
169	I	98.8	Very high	96.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	115.4	-173.6	-56	177.3	0	0	0	110	I131 A133 V156 L159 R160 F167 V171 D200 F201	I131-I169 CarbonylContact O-C 3.53Å; I131-I169 WeakPolarHBondContact O-CA 3.35Å; A133-I169 HydrophobicContact CB-CG2 3.95Å; V156-I169 HydrophobicContact CG1-CD1 4.34Å; V156-I169 HydrophobicContact CG1-CG2 4.45Å; V156-I169 HydrophobicContact CG2-CG2 4.08Å; L159-I169 HydrophobicContact CB-CD1 3.6Å; L159-I169 HydrophobicContact CD1-CD1 3.87Å; L159-I169 HydrophobicContact CD1-CG1 4.2Å; L159-I169 HydrophobicContact CD1-CG2 4.43Å; L159-I169 HydrophobicContact CG-CD1 4.39Å; R160-I169 HydrophobicContact CG-CD1 4.08Å; F167-I169 HydrophobicContact CB-CG1 4.11Å; I169-V171 HydrophobicContact CG2-CG1 4.5Å; I169-D200 PolarHBondContact N-OD2 3.47Å; I169-D200 PolarHBondContact O-N 3.26Å; I169-F201 PolarHBondContact O-N 3.42Å
170	A	98.8	Very high	95.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	152.7	168	0	0	0	0	0	110.9	I131 V132 A133 F201 I203	I131-A170 PolarHBondContact O-N 2.88Å; V132-A170 CarbonylContact C-O 3.15Å; V132-A170 WeakPolarHBondContact CA-O 3.48Å; V132-A170 HydrophobicContact CB-CB 4.41Å; V132-A170 HydrophobicContact CG1-CB 4.3Å; V132-A170 HydrophobicContact CG2-CB 4.08Å; A133-A170 PolarHBondContact N-O 3.28Å; A170-F201 VanDerWaalsContact CA-O 3.31Å; A170-F201 WeakPolarHBondContact CA-O 3.27Å; A170-F201 HydrophobicContact CB-CD1 4.3Å; A170-F201 HydrophobicContact CB-CD2 3.98Å; A170-F201 HydrophobicContact CB-CE1 3.9Å; A170-F201 HydrophobicContact CB-CE2 3.54Å; A170-F201 HydrophobicContact CB-CG 4.35Å; A170-F201 HydrophobicContact CB-CZ 3.5Å; A170-I203 HydrophobicContact CB-CD1 4.28Å; A170-I203 HydrophobicContact CB-CG1 4.45Å
171	V	98.8	Very high	95.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	152.1	171.9	-66.7	0	0	0	0	111.8	A133 V156 I169 L191 K194 A199 F201 I202 I203	A133-V171 HydrophobicContact CB-CG1 4.25Å; V156-V171 HydrophobicContact CG2-CG1 3.75Å; I169-V171 HydrophobicContact CG2-CG1 4.5Å; V171-L191 HydrophobicContact CG2-CD1 4.14Å; V171-K194 HydrophobicContact CB-CB 4.4Å; V171-K194 HydrophobicContact CB-CD 4.03Å; V171-K194 HydrophobicContact CG1-CB 4.13Å; V171-K194 HydrophobicContact CG1-CD 4.09Å; V171-K194 HydrophobicContact CG2-CB 4.14Å; V171-K194 HydrophobicContact CG2-CD 4.44Å; V171-A199 HydrophobicContact CB-CB 4.29Å; V171-A199 HydrophobicContact CG1-CB 3.62Å; V171-A199 HydrophobicContact CG2-CB 3.71Å; V171-F201 PolarHBondContact N-O 3.24Å; V171-I202 HydrophobicContact CG2-CG1 3.99Å; V171-I202 VanDerWaalsContact O-CA 3.32Å; V171-I202 WeakPolarHBondContact O-CA 3.47Å; V171-I203 PolarHBondContact O-N 2.86Å
172	A	97.7	Very high	95.4	Very high	14 Å²	14	43.3 Å²	43.3	12%	0.116	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	135.9	177.9	0	0	0	0	0	112.6	L134 Y174 K194 I203	L134-A172 HydrophobicContact CD2-CB 3.76Å; A172-Y174 HydrophobicContact CB-CE2 3.89Å; A172-K194 PolarHBondContact O-NZ 3.22Å; A172-I203 CarbonylContact C-O 3.58Å; A172-I203 VanDerWaalsContact CA-O 3.31Å; A172-I203 WeakPolarHBondContact CA-O 3.49Å
173	G	98.1	Very high	95.3	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	150.5	167.4	0	0	0	0	0	111.3	I203 T204 Q205	G173-I203 PolarHBondContact N-O 3.34Å; G173-T204 CarbonylContact O-C 3.56Å; G173-T204 VanDerWaalsContact O-CA 3.23Å; G173-T204 WeakPolarHBondContact O-CA 3.45Å; G173-Q205 PolarHBondContact O-N 3.39Å
174	Y	97.7	Very high	95.4	Very high	53 Å²	53	41.6 Å²	41.6	21%	0.208	24%	0.241	C	C	.	.			trans	-123	98.2	-175.7	-62.6	-95.2	0	0	0	110.5	A172 L176 G177 H178 Q205	A172-Y174 HydrophobicContact CB-CE2 3.89Å; Y174-L176 PolarHBondContact O-N 2.95Å; Y174-L176 VanDerWaalsContact O-N 3.12Å; Y174-G177 PolarHBondContact O-N 3.03Å; Y174-H178 HydrophobicContact CD1-CB 4.33Å; Y174-H178 HydrophobicContact CD2-CB 4.06Å; Y174-H178 AromaticContact CE1-CD2 3.66Å; Y174-H178 HydrophobicContact CE2-CB 4.45Å; Y174-H178 AromaticContact CE2-CD2 3.61Å; Y174-H178 HydrophobicContact CG-CB 4.03Å; Y174-H178 AromaticContact CZ-CD2 3.38Å; Y174-Q205 HydrophobicContact CD1-CB 3.77Å; Y174-Q205 HydrophobicContact CD1-CG 4.16Å; Y174-Q205 HydrophobicContact CE1-CB 4.05Å; Y174-Q205 HydrophobicContact CE1-CG 4.32Å
175	P	97.2	Very high	95.5	Very high	6 Å²	6	44 Å²	44	4%	0.039	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.1	-177.6	-28.4	38.5	0	0	0	114.7	T204 F207 F216	P175-T204 HydrophobicContact CG-CG2 4.05Å; P175-F207 HydrophobicContact CB-CB 4.44Å; P175-F207 HydrophobicContact CB-CD1 4.3Å; P175-F207 HydrophobicContact CG-CD1 3.83Å; P175-F207 HydrophobicContact CG-CE1 4.44Å; P175-F216 HydrophobicContact CB-CB 3.9Å; P175-F216 HydrophobicContact CB-CG 4.09Å; P175-F216 HydrophobicContact CG-CB 4.4Å; P175-F216 HydrophobicContact CG-CD1 4.16Å; P175-F216 HydrophobicContact CG-CG 4.17Å
176	L	95.3	Very high	95.5	Very high	78 Å²	78	41.8 Å²	41.8	41%	0.408	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	4.6	176.1	-57.3	179.4	0	0	0	113.1	Y174 F208	Y174-L176 PolarHBondContact O-N 2.95Å; Y174-L176 VanDerWaalsContact O-N 3.12Å; L176-F208 HydrophobicContact CD1-CD2 3.85Å; L176-F208 HydrophobicContact CD1-CE2 3.71Å
177	G	94	Very high	95.7	Very high	20 Å²	20	40 Å²	40	21%	0.206	23%	0.227	C	C	.	.			trans	79.6	142.5	-171	0	0	0	0	0	113.2	Y174 D187	Y174-G177 PolarHBondContact O-N 3.03Å; G177-D187 WeakPolarHBondContact CA-OD2 3.39Å
178	H	92.5	Very high	95.7	Very high	39 Å²	39	40.2 Å²	40.2	18%	0.181	23%	0.228	C	C	.	.			trans	-67.6	137.4	173.2	-169.6	-71.2	0	0	0	110.8	Y174 E180 A181 D187	Y174-H178 HydrophobicContact CD1-CB 4.33Å; Y174-H178 HydrophobicContact CD2-CB 4.06Å; Y174-H178 AromaticContact CE1-CD2 3.66Å; Y174-H178 HydrophobicContact CE2-CB 4.45Å; Y174-H178 AromaticContact CE2-CD2 3.61Å; Y174-H178 HydrophobicContact CG-CB 4.03Å; Y174-H178 AromaticContact CZ-CD2 3.38Å; H178-E180 VanDerWaalsContact C-N 3.28Å; H178-E180 PolarHBondContact ND1-N 3.12Å; H178-E180 PolarHBondContact O-N 3.11Å; H178-A181 HydrophobicContact CB-CB 4.14Å; H178-A181 VanDerWaalsContact O-CB 3.28Å; H178-A181 WeakPolarHBondContact O-CB 3.22Å; H178-A181 PolarHBondContact O-N 3.17Å; H178-D187 PolarHBondContact N-OD2 3.31Å
179	S	89.2	Confident	95.7	Very high	74 Å²	74	45.6 Å²	45.6	52%	0.517	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-33.9	-175.9	56.8	0	0	0	0	114.3
180	E	89.2	Confident	95.6	Very high	115 Å²	115	49.3 Å²	49.3	54%	0.537	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-1.3	174.3	-60.1	177.9	-154.7	0	0	115	R135 H178	R135-E180 IonicContact CZ-OE1 3.88Å; R135-E180 IonicContact CZ-OE2 3.28Å; R135-E180 VanDerWaalsContact CZ-OE2 3.28Å; R135-E180 IonicContact NH1-OE1 3.99Å; R135-E180 IonicContact NH1-OE2 2.67Å; R135-E180 PolarHBondContact NH1-OE2 3.2Å; R135-E180 IonicContact NH2-OE1 2.89Å; R135-E180 PolarHBondContact NH2-OE1 3.07Å; R135-E180 IonicContact NH2-OE2 3.02Å; R135-E180 PolarHBondContact NH2-OE2 3.08Å; H178-E180 VanDerWaalsContact C-N 3.28Å; H178-E180 PolarHBondContact ND1-N 3.12Å; H178-E180 PolarHBondContact O-N 3.11Å
181	A	90.9	Very high	95.6	Very high	33 Å²	33	49.5 Å²	49.5	27%	0.273	27%	0.268	S	S	.	.	S	Bend	trans	-75.3	141.1	177.9	0	0	0	0	0	111	H178 S183 D187	H178-A181 HydrophobicContact CB-CB 4.14Å; H178-A181 VanDerWaalsContact O-CB 3.28Å; H178-A181 WeakPolarHBondContact O-CB 3.22Å; H178-A181 PolarHBondContact O-N 3.17Å; A181-S183 PolarHBondContact O-N 2.9Å; A181-D187 HydrophobicContact CB-CB 3.69Å
182	V	92.3	Very high	95.6	Very high	139 Å²	139	51.8 Å²	51.8	84%	0.842	28%	0.278	S	S	*	.	S	Bend	trans	-59.8	-36.8	176.7	176.7	0	0	0	0	111.5	E186	V182-E186 HydrophobicContact CB-CB 4.41Å; V182-E186 HydrophobicContact CB-CG 4.27Å
183	S	95.9	Very high	95.6	Very high	50 Å²	50	56.2 Å²	56.2	35%	0.35	29%	0.292	S	S	.	.			trans	-159.3	164.2	172.2	70.5	0	0	0	0	109.8	A181 N185 E186 D187	A181-S183 PolarHBondContact O-N 2.9Å; S183-N185 PolarHBondContact O-N 3.41Å; S183-N185 PolarHBondContact OG-N 2.86Å; S183-E186 PolarHBondContact O-N 3.1Å; S183-E186 VanDerWaalsContact O-N 3.11Å; S183-E186 PolarHBondContact OG-N 3.03Å; S183-E186 VanDerWaalsContact OG-N 3.17Å; S183-D187 PolarHBondContact O-N 3Å
184	F	96.6	Very high	95.6	Very high	52 Å²	52	57.2 Å²	57.2	23%	0.228	30%	0.296	C	S	.	.	H	α-helix	trans	-54.8	-37.5	172.1	179.3	-103.6	0	0	0	112.9	D187 L188 H215 F216 R219	F184-D187 PolarHBondContact O-N 3.37Å; F184-L188 HydrophobicContact CD1-CD1 3.97Å; F184-L188 HydrophobicContact CE1-CD1 3.44Å; F184-L188 VanDerWaalsContact CE1-CD1 3.44Å; F184-L188 HydrophobicContact CE1-CG 4.14Å; F184-L188 HydrophobicContact CZ-CD1 3.86Å; F184-L188 HydrophobicContact CZ-CD2 4.43Å; F184-L188 HydrophobicContact CZ-CG 4.18Å; F184-L188 WeakPolarHBondContact O-CG 3.38Å; F184-L188 PolarHBondContact O-N 3.45Å; F184-H215 AromaticContact CE1-CE1 3.83Å; F184-F216 HydrophobicContact CE2-CD2 4.21Å; F184-F216 HydrophobicContact CZ-CD2 4.16Å; F184-R219 HydrophobicContact CE1-CB 4.22Å; F184-R219 HydrophobicContact CE1-CG 4.06Å
185	N	97.4	Very high	95.6	Very high	81 Å²	81	55.4 Å²	55.4	43%	0.433	29%	0.29	S	S	.	.	H	α-helix	trans	-70.6	-36	177.9	-72	-37.5	0	0	0	112.4	S183 L188 K189 R219	S183-N185 PolarHBondContact O-N 3.41Å; S183-N185 PolarHBondContact OG-N 2.86Å; N185-L188 PolarHBondContact O-N 2.91Å; N185-K189 WeakPolarHBondContact O-CG 3.31Å; N185-K189 PolarHBondContact O-N 3.22Å; N185-K189 VanDerWaalsContact O-N 3.08Å; N185-R219 PolarHBondContact OD1-NH2 2.69Å
186	E	96.3	Very high	95.7	Very high	65 Å²	65	59.7 Å²	59.7	30%	0.304	31%	0.313	S	S	.	.	H	α-helix	trans	-68.5	-39.9	174.4	-70.7	-53.9	126.7	0	0	111.3	V182 S183 L188 K189 F190	V182-E186 HydrophobicContact CB-CB 4.41Å; V182-E186 HydrophobicContact CB-CG 4.27Å; S183-E186 PolarHBondContact O-N 3.1Å; S183-E186 VanDerWaalsContact O-N 3.11Å; S183-E186 PolarHBondContact OG-N 3.03Å; S183-E186 VanDerWaalsContact OG-N 3.17Å; E186-L188 VanDerWaalsContact C-N 3.31Å; E186-L188 PolarHBondContact O-N 2.83Å; E186-K189 WeakPolarHBondContact O-CB 3.49Å; E186-K189 PolarHBondContact O-N 2.91Å; E186-K189 VanDerWaalsContact O-N 3.13Å; E186-K189 WeakPolarHBondContact OE1-CE 3.2Å; E186-K189 IonicContact OE1-NZ 3.7Å; E186-K189 PolarHBondContact OE1-NZ 3.27Å; E186-K189 IonicContact OE2-NZ 2.95Å; E186-F190 WeakPolarHBondContact O-CD2 3.3Å; E186-F190 PolarHBondContact O-N 3.03Å
187	D	97.2	Very high	95.8	Very high	19 Å²	19	59.5 Å²	59.5	10%	0.102	31%	0.31	C	S	.	.	H	α-helix	trans	-58.2	-44.7	173.9	-166.1	23.8	0	0	0	111.6	G177 H178 A181 S183 F184 K189 F190 L191	G177-D187 WeakPolarHBondContact CA-OD2 3.39Å; H178-D187 PolarHBondContact N-OD2 3.31Å; A181-D187 HydrophobicContact CB-CB 3.69Å; S183-D187 PolarHBondContact O-N 3Å; F184-D187 PolarHBondContact O-N 3.37Å; D187-K189 VanDerWaalsContact C-N 3.35Å; D187-K189 PolarHBondContact O-N 2.63Å; D187-F190 PolarHBondContact O-N 2.83Å; D187-L191 PolarHBondContact O-N 3.5Å
188	L	98	Very high	96	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-61.7	-37.3	174.5	-77.3	-179.8	0	0	0	113.4	F184 N185 E186 L191 K192 F216 R219 I223	F184-L188 HydrophobicContact CD1-CD1 3.97Å; F184-L188 HydrophobicContact CE1-CD1 3.44Å; F184-L188 VanDerWaalsContact CE1-CD1 3.44Å; F184-L188 HydrophobicContact CE1-CG 4.14Å; F184-L188 HydrophobicContact CZ-CD1 3.86Å; F184-L188 HydrophobicContact CZ-CD2 4.43Å; F184-L188 HydrophobicContact CZ-CG 4.18Å; F184-L188 WeakPolarHBondContact O-CG 3.38Å; F184-L188 PolarHBondContact O-N 3.45Å; N185-L188 PolarHBondContact O-N 2.91Å; E186-L188 VanDerWaalsContact C-N 3.31Å; E186-L188 PolarHBondContact O-N 2.83Å; L188-L191 HydrophobicContact CD2-CD2 4.26Å; L188-L191 WeakPolarHBondContact O-CB 3.41Å; L188-L191 PolarHBondContact O-N 2.91Å; L188-K192 WeakPolarHBondContact O-CB 3.23Å; L188-K192 PolarHBondContact O-N 3.3Å; L188-F216 HydrophobicContact CD2-CD2 4.09Å; L188-F216 HydrophobicContact CD2-CE2 3.7Å; L188-R219 HydrophobicContact CD1-CB 3.66Å; L188-I223 HydrophobicContact CB-CD1 3.86Å; L188-I223 WeakPolarHBondContact O-CD1 3.14Å
189	K	97.4	Very high	96.3	Very high	114 Å²	114	58 Å²	58	50%	0.496	31%	0.305	S	S	.	.	H	α-helix	trans	-64.2	-41.3	174	-72.3	173.6	-174.9	172.6	0	111.4	N185 E186 D187 K192 R193	N185-K189 WeakPolarHBondContact O-CG 3.31Å; N185-K189 PolarHBondContact O-N 3.22Å; N185-K189 VanDerWaalsContact O-N 3.08Å; E186-K189 WeakPolarHBondContact O-CB 3.49Å; E186-K189 PolarHBondContact O-N 2.91Å; E186-K189 VanDerWaalsContact O-N 3.13Å; E186-K189 WeakPolarHBondContact OE1-CE 3.2Å; E186-K189 IonicContact OE1-NZ 3.7Å; E186-K189 PolarHBondContact OE1-NZ 3.27Å; E186-K189 IonicContact OE2-NZ 2.95Å; D187-K189 VanDerWaalsContact C-N 3.35Å; D187-K189 PolarHBondContact O-N 2.63Å; K189-K192 PolarHBondContact O-N 3.23Å; K189-R193 VanDerWaalsContact O-CG 3.32Å; K189-R193 WeakPolarHBondContact O-CG 3.45Å; K189-R193 PolarHBondContact O-N 3.04Å
190	F	96.7	Very high	96.8	Very high	79 Å²	79	56 Å²	56	35%	0.346	29%	0.289	S	S	.	.	H	α-helix	trans	-65.6	-38.7	173.8	-84.7	-79.2	0	0	0	112.3	V153 E186 D187 R193 K194	V153-F190 HydrophobicContact CG2-CD1 4.45Å; E186-F190 WeakPolarHBondContact O-CD2 3.3Å; E186-F190 PolarHBondContact O-N 3.03Å; D187-F190 PolarHBondContact O-N 2.83Å; F190-R193 VanDerWaalsContact CE1-NH1 3.26Å; F190-R193 WeakPolarHBondContact O-CB 3.31Å; F190-R193 PolarHBondContact O-N 3.11Å; F190-K194 WeakPolarHBondContact O-CG 3.26Å; F190-K194 PolarHBondContact O-N 3.31Å
191	L	98.5	Very high	97.2	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-60.6	-47.2	173	-178.2	62.3	0	0	0	111.9	V171 D187 L188 R193 K194 V195 I202 F216 I225	V171-L191 HydrophobicContact CG2-CD1 4.14Å; D187-L191 PolarHBondContact O-N 3.5Å; L188-L191 HydrophobicContact CD2-CD2 4.26Å; L188-L191 WeakPolarHBondContact O-CB 3.41Å; L188-L191 PolarHBondContact O-N 2.91Å; L191-R193 VanDerWaalsContact C-N 3.31Å; L191-R193 PolarHBondContact O-N 3.3Å; L191-K194 WeakPolarHBondContact O-CB 3.46Å; L191-K194 PolarHBondContact O-N 2.9Å; L191-K194 VanDerWaalsContact O-N 3.13Å; L191-V195 PolarHBondContact O-N 2.79Å; L191-V195 VanDerWaalsContact O-N 3.13Å; L191-I202 HydrophobicContact CD1-CD1 3.92Å; L191-I202 HydrophobicContact CD1-CG1 4.06Å; L191-I202 HydrophobicContact CD1-CG2 4.41Å; L191-I202 HydrophobicContact CD2-CD1 4.08Å; L191-I202 HydrophobicContact CG-CD1 4.11Å; L191-F216 HydrophobicContact CD2-CE2 3.94Å; L191-F216 HydrophobicContact CD2-CZ 3.47Å; L191-F216 VanDerWaalsContact CD2-CZ 3.47Å; L191-I225 HydrophobicContact CB-CD1 4.39Å; L191-I225 HydrophobicContact CD2-CD1 3.87Å; L191-I225 HydrophobicContact CG-CD1 3.78Å
192	K	98.6	Very high	97.6	Very high	47 Å²	47	49.1 Å²	49.1	20%	0.204	25%	0.251	C	S	.	.	H	α-helix	trans	-57.7	-44.2	175.4	179.7	59	164.9	73.2	0	111.3	L188 K189 K194 V195 D196 I223 I225	L188-K192 WeakPolarHBondContact O-CB 3.23Å; L188-K192 PolarHBondContact O-N 3.3Å; K189-K192 PolarHBondContact O-N 3.23Å; K192-K194 PolarHBondContact O-N 2.78Å; K192-V195 WeakPolarHBondContact O-CB 3.05Å; K192-V195 PolarHBondContact O-N 2.9Å; K192-V195 VanDerWaalsContact O-N 3.12Å; K192-D196 IonicContact NZ-OD1 2.69Å; K192-D196 PolarHBondContact NZ-OD1 2.59Å; K192-D196 IonicContact NZ-OD2 3.98Å; K192-D196 PolarHBondContact NZ-OD2 3.33Å; K192-D196 VanDerWaalsContact O-CG 3.22Å; K192-D196 PolarHBondContact O-N 3.43Å; K192-I223 HydrophobicContact CB-CD1 4.02Å; K192-I223 WeakPolarHBondContact CE-O 3.42Å; K192-I225 HydrophobicContact CB-CD1 4.31Å; K192-I225 HydrophobicContact CB-CG1 4.25Å; K192-I225 HydrophobicContact CD-CG1 3.65Å
193	R	98.2	Very high	97.9	Very high	108 Å²	108	42.9 Å²	42.9	41%	0.408	21%	0.213	S	C	.	.	H	α-helix	trans	-57.5	-45.4	174.2	-71.4	170.6	64.4	-177.1	4.3	112.1	V153 K189 F190 L191 V195 D196 E197	V153-R193 HydrophobicContact CG1-CB 4.3Å; V153-R193 HydrophobicContact CG2-CB 3.96Å; K189-R193 VanDerWaalsContact O-CG 3.32Å; K189-R193 WeakPolarHBondContact O-CG 3.45Å; K189-R193 PolarHBondContact O-N 3.04Å; F190-R193 VanDerWaalsContact CE1-NH1 3.26Å; F190-R193 WeakPolarHBondContact O-CB 3.31Å; F190-R193 PolarHBondContact O-N 3.11Å; L191-R193 VanDerWaalsContact C-N 3.31Å; L191-R193 PolarHBondContact O-N 3.3Å; R193-V195 VanDerWaalsContact C-N 3.25Å; R193-V195 PolarHBondContact O-N 3.06Å; R193-D196 PolarHBondContact O-N 3.2Å; R193-E197 VanDerWaalsContact O-CG 3.26Å; R193-E197 WeakPolarHBondContact O-CG 3.41Å; R193-E197 PolarHBondContact O-N 2.93Å
194	K	98.5	Very high	98	Very high	21 Å²	21	40.5 Å²	40.5	9%	0.091	20%	0.196	C	C	.	.	H	α-helix	trans	-57.8	-39.6	176.3	-70.1	-177.4	-60.2	-174.8	0	112.5	A152 V153 V171 A172 F190 L191 K192 A199	A152-K194 HydrophobicContact CB-CD 3.88Å; V153-K194 HydrophobicContact CB-CG 4.37Å; V153-K194 HydrophobicContact CG2-CG 3.53Å; V171-K194 HydrophobicContact CB-CB 4.4Å; V171-K194 HydrophobicContact CB-CD 4.03Å; V171-K194 HydrophobicContact CG1-CB 4.13Å; V171-K194 HydrophobicContact CG1-CD 4.09Å; V171-K194 HydrophobicContact CG2-CB 4.14Å; V171-K194 HydrophobicContact CG2-CD 4.44Å; A172-K194 PolarHBondContact O-NZ 3.22Å; F190-K194 WeakPolarHBondContact O-CG 3.26Å; F190-K194 PolarHBondContact O-N 3.31Å; L191-K194 WeakPolarHBondContact O-CB 3.46Å; L191-K194 PolarHBondContact O-N 2.9Å; L191-K194 VanDerWaalsContact O-N 3.13Å; K192-K194 PolarHBondContact O-N 2.78Å; K194-A199 VanDerWaalsContact O-CB 3.3Å; K194-A199 WeakPolarHBondContact O-CB 3.39Å; K194-A199 PolarHBondContact O-N 3.27Å; K194-A199 VanDerWaalsContact O-N 3.14Å
195	V	98.7	Very high	98.1	Very high	15 Å²	15	39.6 Å²	39.6	9%	0.091	19%	0.192	C	C	.	.	H	α-helix	trans	-69.2	-42.6	177	175.9	0	0	0	0	111.1	L191 K192 R193 E197 G198 A199 I202 I225 V227	L191-V195 PolarHBondContact O-N 2.79Å; L191-V195 VanDerWaalsContact O-N 3.13Å; K192-V195 WeakPolarHBondContact O-CB 3.05Å; K192-V195 PolarHBondContact O-N 2.9Å; K192-V195 VanDerWaalsContact O-N 3.12Å; R193-V195 VanDerWaalsContact C-N 3.25Å; R193-V195 PolarHBondContact O-N 3.06Å; V195-E197 VanDerWaalsContact C-N 3.27Å; V195-E197 PolarHBondContact O-N 3.17Å; V195-G198 WeakPolarHBondContact O-CA 3.49Å; V195-G198 PolarHBondContact O-N 3.24Å; V195-A199 PolarHBondContact O-N 3.31Å; V195-I202 HydrophobicContact CG2-CD1 4.04Å; V195-I202 HydrophobicContact CG2-CG1 4.36Å; V195-I225 HydrophobicContact CG2-CG2 4.2Å; V195-V227 HydrophobicContact CG1-CG1 3.89Å; V195-V227 HydrophobicContact CG1-CG2 3.92Å; V195-V227 HydrophobicContact CG2-CG2 3.85Å
196	D	98.4	Very high	98	Very high	96 Å²	96	36 Å²	36	51%	0.513	17%	0.173	S	C	.	.	H	α-helix	trans	-64.4	-32	178.8	-68.8	-18.6	0	0	0	113.1	K192 R193 G198	K192-D196 IonicContact NZ-OD1 2.69Å; K192-D196 PolarHBondContact NZ-OD1 2.59Å; K192-D196 IonicContact NZ-OD2 3.98Å; K192-D196 PolarHBondContact NZ-OD2 3.33Å; K192-D196 VanDerWaalsContact O-CG 3.22Å; K192-D196 PolarHBondContact O-N 3.43Å; R193-D196 PolarHBondContact O-N 3.2Å; D196-G198 PolarHBondContact O-N 3.43Å
197	E	98.1	Very high	98.1	Very high	74 Å²	74	33.3 Å²	33.3	35%	0.346	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-1.8	172.3	-60.9	-57.4	169.8	0	0	113.3	V153 V156 Q157 R160 R193 V195	V153-E197 HydrophobicContact CG1-CG 3.57Å; V156-E197 HydrophobicContact CB-CB 4.3Å; V156-E197 HydrophobicContact CG1-CB 3.93Å; V156-E197 WeakPolarHBondContact CG1-O 3.39Å; Q157-E197 HydrophobicContact CG-CB 3.86Å; Q157-E197 VanDerWaalsContact CG-CD 3.45Å; Q157-E197 HydrophobicContact CG-CG 3.57Å; Q157-E197 WeakPolarHBondContact CG-OE2 3.36Å; Q157-E197 PolarHBondContact NE2-OE1 2.99Å; Q157-E197 PolarHBondContact NE2-OE2 2.76Å; R160-E197 WeakPolarHBondContact CG-O 3.35Å; R193-E197 VanDerWaalsContact O-CG 3.26Å; R193-E197 WeakPolarHBondContact O-CG 3.41Å; R193-E197 PolarHBondContact O-N 2.93Å; V195-E197 VanDerWaalsContact C-N 3.27Å; V195-E197 PolarHBondContact O-N 3.17Å
198	G	98.1	Very high	98	Very high	25 Å²	25	33.4 Å²	33.4	26%	0.258	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	110.1	22.2	169.7	0	0	0	0	0	115.7	R160 V195 D196	R160-G198 VanDerWaalsContact CZ-O 3.23Å; R160-G198 PolarHBondContact NE-O 2.99Å; R160-G198 PolarHBondContact NH2-O 3.46Å; V195-G198 WeakPolarHBondContact O-CA 3.49Å; V195-G198 PolarHBondContact O-N 3.24Å; D196-G198 PolarHBondContact O-N 3.43Å
199	A	98.7	Very high	97.9	Very high	4 Å²	4	35.1 Å²	35.1	3%	0.033	17%	0.173	C	C	.	.			trans	-64.6	134.2	168	0	0	0	0	0	111	V156 V171 K194 V195	V156-A199 HydrophobicContact CG1-CB 4.5Å; V171-A199 HydrophobicContact CB-CB 4.29Å; V171-A199 HydrophobicContact CG1-CB 3.62Å; V171-A199 HydrophobicContact CG2-CB 3.71Å; K194-A199 VanDerWaalsContact O-CB 3.3Å; K194-A199 WeakPolarHBondContact O-CB 3.39Å; K194-A199 PolarHBondContact O-N 3.27Å; K194-A199 VanDerWaalsContact O-N 3.14Å; V195-A199 PolarHBondContact O-N 3.31Å
200	D	98.7	Very high	97.9	Very high	32 Å²	32	30 Å²	30	17%	0.171	15%	0.151	C	C	.	.			trans	-86.5	-30.3	-173	-64.1	-59.9	0	0	0	113.5	R24 R160 T168 I169 V227	R24-D200 HydrophobicContact CB-CB 3.82Å; R24-D200 WeakPolarHBondContact CD-OD1 3.49Å; R160-D200 IonicContact CZ-OD2 3.65Å; R160-D200 IonicContact NH2-OD1 2.76Å; R160-D200 PolarHBondContact NH2-OD1 3.42Å; R160-D200 IonicContact NH2-OD2 3.72Å; R160-D200 PolarHBondContact NH2-OD2 3.15Å; T168-D200 WeakPolarHBondContact CA-OD2 3.27Å; T168-D200 HydrophobicContact CG2-CB 4.04Å; I169-D200 PolarHBondContact N-OD2 3.47Å; I169-D200 PolarHBondContact O-N 3.26Å; D200-V227 WeakPolarHBondContact O-CB 3.46Å
201	F	98.8	Very high	98	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.009	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	166.3	175.2	67.2	-85.9	0	0	0	111.9	L23 I27 F68 T168 I169 A170 V171 I203 P228 I230	L23-F201 HydrophobicContact CD2-CE1 4.21Å; L23-F201 HydrophobicContact CD2-CZ 4.23Å; I27-F201 HydrophobicContact CD1-CD1 3.77Å; I27-F201 HydrophobicContact CD1-CD2 4.4Å; I27-F201 HydrophobicContact CD1-CE1 3.72Å; I27-F201 HydrophobicContact CD1-CE2 4.35Å; I27-F201 HydrophobicContact CD1-CG 4.11Å; I27-F201 HydrophobicContact CD1-CZ 4.02Å; F68-F201 HydrophobicContact CE1-CE2 4.33Å; F68-F201 HydrophobicContact CE1-CZ 4.28Å; F68-F201 HydrophobicContact CZ-CE2 4.01Å; F68-F201 HydrophobicContact CZ-CZ 4.14Å; T168-F201 HydrophobicContact CG2-CD1 4Å; T168-F201 HydrophobicContact CG2-CE1 3.58Å; I169-F201 PolarHBondContact O-N 3.42Å; A170-F201 VanDerWaalsContact CA-O 3.31Å; A170-F201 WeakPolarHBondContact CA-O 3.27Å; A170-F201 HydrophobicContact CB-CD1 4.3Å; A170-F201 HydrophobicContact CB-CD2 3.98Å; A170-F201 HydrophobicContact CB-CE1 3.9Å; A170-F201 HydrophobicContact CB-CE2 3.54Å; A170-F201 HydrophobicContact CB-CG 4.35Å; A170-F201 HydrophobicContact CB-CZ 3.5Å; V171-F201 PolarHBondContact N-O 3.24Å; F201-I203 HydrophobicContact CD2-CG1 4.07Å; F201-I203 HydrophobicContact CE2-CD1 3.87Å; F201-I203 HydrophobicContact CE2-CG1 3.66Å; F201-P228 HydrophobicContact CB-CB 4.06Å; F201-P228 HydrophobicContact CB-CG 4.42Å; F201-I230 HydrophobicContact CD2-CD1 3.7Å; F201-I230 HydrophobicContact CD2-CG1 4.34Å; F201-I230 HydrophobicContact CE2-CD1 3.82Å
202	I	98.8	Very high	97.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.3	-178.9	-63.5	161.7	0	0	0	109	V171 L191 V195 I225 V227 P228 I229 I230	V171-I202 HydrophobicContact CG2-CG1 3.99Å; V171-I202 VanDerWaalsContact O-CA 3.32Å; V171-I202 WeakPolarHBondContact O-CA 3.47Å; L191-I202 HydrophobicContact CD1-CD1 3.92Å; L191-I202 HydrophobicContact CD1-CG1 4.06Å; L191-I202 HydrophobicContact CD1-CG2 4.41Å; L191-I202 HydrophobicContact CD2-CD1 4.08Å; L191-I202 HydrophobicContact CG-CD1 4.11Å; V195-I202 HydrophobicContact CG2-CD1 4.04Å; V195-I202 HydrophobicContact CG2-CG1 4.36Å; I202-I225 HydrophobicContact CD1-CD1 4.47Å; I202-I225 HydrophobicContact CD1-CG2 3.67Å; I202-V227 HydrophobicContact CD1-CG2 3.94Å; I202-V227 HydrophobicContact CG1-CG2 4.1Å; I202-P228 PolarHBondContact N-O 2.99Å; I202-I229 HydrophobicContact CB-CG1 4.37Å; I202-I229 HydrophobicContact CB-CG2 4.43Å; I202-I229 HydrophobicContact CD1-CG1 4.08Å; I202-I229 HydrophobicContact CG2-CG2 4.29Å; I202-I230 PolarHBondContact O-N 3.18Å
203	I	98.7	Very high	97.9	Very high	8 Å²	8	33 Å²	33	4%	0.041	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.2	163.8	-59.3	175	0	0	0	106.9	F68 V132 A170 V171 A172 G173 F201 H298	F68-I203 HydrophobicContact CE2-CD1 4.19Å; F68-I203 HydrophobicContact CZ-CD1 4.12Å; V132-I203 HydrophobicContact CG2-CD1 4.32Å; A170-I203 HydrophobicContact CB-CD1 4.28Å; A170-I203 HydrophobicContact CB-CG1 4.45Å; V171-I203 PolarHBondContact O-N 2.86Å; A172-I203 CarbonylContact C-O 3.58Å; A172-I203 VanDerWaalsContact CA-O 3.31Å; A172-I203 WeakPolarHBondContact CA-O 3.49Å; G173-I203 PolarHBondContact N-O 3.34Å; F201-I203 HydrophobicContact CD2-CG1 4.07Å; F201-I203 HydrophobicContact CE2-CD1 3.87Å; F201-I203 HydrophobicContact CE2-CG1 3.66Å; I203-H298 HydrophobicContact CG2-CB 4.18Å
204	T	98.5	Very high	97.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	144.1	-180	79.4	0	0	0	0	111.1	G173 P175 Y213 F216 I229 I230 P231 G232 Y300	G173-T204 CarbonylContact O-C 3.56Å; G173-T204 VanDerWaalsContact O-CA 3.23Å; G173-T204 WeakPolarHBondContact O-CA 3.45Å; P175-T204 HydrophobicContact CG-CG2 4.05Å; T204-Y213 HydrophobicContact CG2-CD2 4.28Å; T204-Y213 HydrophobicContact CG2-CE2 4.24Å; T204-F216 HydrophobicContact CG2-CD1 4.14Å; T204-F216 HydrophobicContact CG2-CE1 3.79Å; T204-I229 HydrophobicContact CG2-CG2 3.6Å; T204-I230 PolarHBondContact N-O 3.38Å; T204-P231 WeakPolarHBondContact OG1-CA 2.98Å; T204-G232 VanDerWaalsContact O-CA 3.25Å; T204-G232 WeakPolarHBondContact O-CA 3.4Å; T204-G232 PolarHBondContact O-N 3.4Å; T204-G232 PolarHBondContact OG1-N 2.9Å; T204-Y300 PolarHBondContact O-OH 3.23Å
205	Q	97	Very high	97.9	Very high	33 Å²	33	32.6 Å²	32.6	15%	0.154	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-53.8	152.8	160.7	-179.1	58.5	-59.7	0	0	110.5	G173 Y174 F207 C249	G173-Q205 PolarHBondContact O-N 3.39Å; Y174-Q205 HydrophobicContact CD1-CB 3.77Å; Y174-Q205 HydrophobicContact CD1-CG 4.16Å; Y174-Q205 HydrophobicContact CE1-CB 4.05Å; Y174-Q205 HydrophobicContact CE1-CG 4.32Å; Q205-F207 WeakPolarHBondContact O-CD1 3.44Å; Q205-C249 PolarHBondContact NE2-SG 3.44Å; Q205-C249 VanDerWaalsContact NE2-SG 3.39Å
206	F	96.6	Very high	97.9	Very high	6 Å²	6	31.9 Å²	31.9	3%	0.026	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-60.1	152.5	175.3	73	-94	0	0	0	112.1	F208 G232 M234 F242 T245 Q251 Y300	F206-F208 HydrophobicContact CE2-CE1 4.16Å; F206-F208 HydrophobicContact CE2-CZ 4.25Å; F206-G232 WeakPolarHBondContact CA-O 3.43Å; F206-M234 HydrophobicContact CB-CB 3.81Å; F206-M234 HydrophobicContact CD1-CB 4.32Å; F206-M234 HydrophobicContact CD1-CE 3.66Å; F206-M234 HydrophobicContact CD1-SD 3.94Å; F206-M234 HydrophobicContact CD2-CE 3.76Å; F206-M234 HydrophobicContact CE1-CE 3.44Å; F206-M234 VanDerWaalsContact CE1-CE 3.44Å; F206-M234 HydrophobicContact CE1-SD 4.05Å; F206-M234 HydrophobicContact CE2-CE 3.54Å; F206-M234 HydrophobicContact CG-CB 3.97Å; F206-M234 HydrophobicContact CG-CE 3.84Å; F206-M234 HydrophobicContact CG-SD 4.39Å; F206-M234 HydrophobicContact CZ-CE 3.38Å; F206-F242 HydrophobicContact CE2-CE2 4.46Å; F206-F242 HydrophobicContact CE2-CZ 4.5Å; F206-T245 HydrophobicContact CE1-CG2 4.11Å; F206-T245 HydrophobicContact CZ-CG2 4.33Å; F206-Q251 PolarHBondContact O-NE2 3.03Å; F206-Y300 HydrophobicContact CB-CD2 4.01Å; F206-Y300 HydrophobicContact CB-CE2 3.97Å
207	F	97	Very high	97.9	Very high	8 Å²	8	27.7 Å²	27.7	4%	0.035	14%	0.143	C	C	.	.			trans	-146.1	165.6	-178	51.8	-92.6	0	0	0	109.9	P175 Q205 S209 Y213 P231 I233 M282 L286	P175-F207 HydrophobicContact CB-CB 4.44Å; P175-F207 HydrophobicContact CB-CD1 4.3Å; P175-F207 HydrophobicContact CG-CD1 3.83Å; P175-F207 HydrophobicContact CG-CE1 4.44Å; Q205-F207 WeakPolarHBondContact O-CD1 3.44Å; F207-S209 WeakPolarHBondContact CD2-O 3.48Å; F207-Y213 HydrophobicContact CE1-CD2 4.1Å; F207-Y213 HydrophobicContact CE1-CG 4.42Å; F207-Y213 HydrophobicContact CZ-CD2 4.13Å; F207-Y213 HydrophobicContact CZ-CG 4.06Å; F207-P231 HydrophobicContact CE1-CB 3.84Å; F207-P231 HydrophobicContact CZ-CB 3.73Å; F207-I233 HydrophobicContact CZ-CD1 4.32Å; F207-M282 HydrophobicContact CD2-SD 4.05Å; F207-M282 HydrophobicContact CE2-CG 4.35Å; F207-M282 HydrophobicContact CE2-SD 3.66Å; F207-M282 HydrophobicContact CZ-SD 4.43Å; F207-L286 HydrophobicContact CE2-CD1 4.3Å; F207-L286 HydrophobicContact CE2-CD2 4.31Å; F207-L286 HydrophobicContact CZ-CD1 3.98Å; F207-L286 HydrophobicContact CZ-CD2 4.09Å
208	F	96.4	Very high	97.9	Very high	21 Å²	21	27.9 Å²	27.9	9%	0.092	14%	0.143	C	C	.	.	S	Bend	trans	-97.6	-11.7	-170.9	-46.1	-74.6	0	0	0	114.2	L176 F206 F242 Q251 P254 W256 M257	L176-F208 HydrophobicContact CD1-CD2 3.85Å; L176-F208 HydrophobicContact CD1-CE2 3.71Å; F206-F208 HydrophobicContact CE2-CE1 4.16Å; F206-F208 HydrophobicContact CE2-CZ 4.25Å; F208-F242 HydrophobicContact CD1-CE1 4.35Å; F208-F242 AromaticContact CD1-CZ 3.92Å; F208-F242 HydrophobicContact CD1-CZ 3.92Å; F208-F242 AromaticContact CE1-CE1 3.82Å; F208-F242 HydrophobicContact CE1-CE1 3.82Å; F208-F242 AromaticContact CE1-CZ 3.54Å; F208-F242 HydrophobicContact CE1-CZ 3.54Å; F208-Q251 HydrophobicContact CE2-CB 4.5Å; F208-Q251 HydrophobicContact CZ-CB 4.29Å; F208-Q251 VanDerWaalsContact CZ-OE1 3.31Å; F208-P254 HydrophobicContact CB-CG 3.72Å; F208-P254 HydrophobicContact CD1-CG 4.07Å; F208-P254 HydrophobicContact CD2-CG 3.51Å; F208-P254 HydrophobicContact CE2-CG 4.12Å; F208-P254 HydrophobicContact CG-CG 3.48Å; F208-P254 VanDerWaalsContact CG-CG 3.48Å; F208-W256 HydrophobicContact CB-CZ2 4.18Å; F208-W256 WeakPolarHBondContact O-CZ2 3.42Å; F208-M257 HydrophobicContact CB-SD 4.1Å; F208-M257 HydrophobicContact CD1-CE 4.42Å; F208-M257 HydrophobicContact CD1-SD 3.42Å; F208-M257 WeakPolarHBondContact CD1-SD 3.38Å; F208-M257 HydrophobicContact CE1-SD 4.19Å; F208-M257 HydrophobicContact CG-SD 4.07Å
209	S	96.1	Very high	97.9	Very high	41 Å²	41	30.1 Å²	30.1	29%	0.287	14%	0.144	S	C	.	.			trans	-149.3	139.4	-179.3	178.6	0	0	0	0	111.7	F207 K211 S212	F207-S209 WeakPolarHBondContact CD2-O 3.48Å; S209-K211 PolarHBondContact O-N 3.44Å; S209-K211 VanDerWaalsContact O-N 3.15Å; S209-K211 PolarHBondContact OG-N 3.14Å; S209-S212 WeakPolarHBondContact O-CB 3.13Å; S209-S212 PolarHBondContact O-N 2.61Å
210	S	97.5	Very high	97.9	Very high	5 Å²	5	29.9 Å²	29.9	4%	0.035	14%	0.142	C	C	.	.	H	α-helix	trans	-52.3	-33.2	173.5	61.8	0	0	0	0	112.9	S212 Y213 F214 E285	S210-S212 VanDerWaalsContact C-N 3.28Å; S210-S212 PolarHBondContact O-N 3.29Å; S210-Y213 WeakPolarHBondContact O-CB 3.35Å; S210-Y213 PolarHBondContact O-N 2.89Å; S210-F214 WeakPolarHBondContact O-CD2 3.28Å; S210-F214 WeakPolarHBondContact O-CE2 3.5Å; S210-F214 WeakPolarHBondContact O-CG 3.33Å; S210-F214 PolarHBondContact O-N 3.47Å; S210-E285 VanDerWaalsContact CB-OE2 3.27Å; S210-E285 WeakPolarHBondContact CB-OE2 3.29Å; S210-E285 PolarHBondContact OG-OE2 3.07Å
211	K	97.3	Very high	97.9	Very high	160 Å²	160	33 Å²	33	70%	0.696	15%	0.152	S	C	*	.	H	α-helix	trans	-57.1	-38.8	176.2	-66.8	179.9	-179.2	175.3	0	112.9	S209 Y213 F214 H215	S209-K211 PolarHBondContact O-N 3.44Å; S209-K211 VanDerWaalsContact O-N 3.15Å; S209-K211 PolarHBondContact OG-N 3.14Å; K211-Y213 VanDerWaalsContact C-N 3.31Å; K211-Y213 PolarHBondContact O-N 3.26Å; K211-F214 PolarHBondContact O-N 2.95Å; K211-H215 WeakPolarHBondContact O-CB 3.45Å; K211-H215 PolarHBondContact O-N 3.11Å
212	S	97.4	Very high	97.8	Very high	31 Å²	31	36.8 Å²	36.8	22%	0.217	17%	0.172	C	C	.	.	H	α-helix	trans	-64.7	-39.4	177.6	-58.2	0	0	0	0	111.1	S209 S210 F216	S209-S212 WeakPolarHBondContact O-CB 3.13Å; S209-S212 PolarHBondContact O-N 2.61Å; S210-S212 VanDerWaalsContact C-N 3.28Å; S210-S212 PolarHBondContact O-N 3.29Å; S212-F216 VanDerWaalsContact O-CB 3.27Å; S212-F216 WeakPolarHBondContact O-CB 3.42Å; S212-F216 PolarHBondContact O-N 3.22Å
213	Y	98.5	Very high	97.8	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-65.9	-47.9	174.5	173.8	-94.5	0	0	0	111.9	T204 F207 S210 K211 H215 F216 V217 I229 P231 L286 A294	T204-Y213 HydrophobicContact CG2-CD2 4.28Å; T204-Y213 HydrophobicContact CG2-CE2 4.24Å; F207-Y213 HydrophobicContact CE1-CD2 4.1Å; F207-Y213 HydrophobicContact CE1-CG 4.42Å; F207-Y213 HydrophobicContact CZ-CD2 4.13Å; F207-Y213 HydrophobicContact CZ-CG 4.06Å; S210-Y213 WeakPolarHBondContact O-CB 3.35Å; S210-Y213 PolarHBondContact O-N 2.89Å; K211-Y213 VanDerWaalsContact C-N 3.31Å; K211-Y213 PolarHBondContact O-N 3.26Å; Y213-H215 VanDerWaalsContact C-N 3.34Å; Y213-H215 PolarHBondContact O-N 2.85Å; Y213-F216 CarbonylContact O-C 3.45Å; Y213-F216 WeakPolarHBondContact O-CB 3.35Å; Y213-F216 PolarHBondContact O-N 3.19Å; Y213-F216 VanDerWaalsContact O-N 3.11Å; Y213-V217 HydrophobicContact CD1-CG2 4.04Å; Y213-V217 HydrophobicContact CD2-CG2 4.26Å; Y213-V217 HydrophobicContact CE1-CG2 3.58Å; Y213-V217 HydrophobicContact CE2-CG2 3.83Å; Y213-V217 HydrophobicContact CG-CG2 4.36Å; Y213-V217 VanDerWaalsContact CZ-CG2 3.47Å; Y213-V217 WeakPolarHBondContact O-CG2 3.26Å; Y213-V217 PolarHBondContact O-N 3.49Å; Y213-I229 HydrophobicContact CE2-CG2 3.94Å; Y213-I229 PolarHBondContact OH-O 3.4Å; Y213-P231 HydrophobicContact CD2-CB 3.7Å; Y213-P231 HydrophobicContact CE2-CB 3.62Å; Y213-P231 HydrophobicContact CE2-CG 4.06Å; Y213-P231 HydrophobicContact CG-CB 4.36Å; Y213-L286 HydrophobicContact CD1-CD2 3.31Å; Y213-L286 HydrophobicContact CE1-CD2 3.98Å; Y213-L286 HydrophobicContact CG-CD2 3.63Å; Y213-A294 HydrophobicContact CE1-CB 3.96Å
214	F	98.5	Very high	97.8	Very high	22 Å²	22	41.2 Å²	41.2	10%	0.096	21%	0.205	C	C	.	.	H	α-helix	trans	-62.1	-41.9	179.3	-53.9	-43.7	0	0	0	112.2	S210 K211 V217 K218 L286 H289 Y292	S210-F214 WeakPolarHBondContact O-CD2 3.28Å; S210-F214 WeakPolarHBondContact O-CE2 3.5Å; S210-F214 WeakPolarHBondContact O-CG 3.33Å; S210-F214 PolarHBondContact O-N 3.47Å; K211-F214 PolarHBondContact O-N 2.95Å; F214-V217 PolarHBondContact O-N 3.36Å; F214-K218 WeakPolarHBondContact O-CB 3.42Å; F214-K218 PolarHBondContact O-N 2.88Å; F214-L286 HydrophobicContact CE1-CD2 4.05Å; F214-L286 HydrophobicContact CZ-CD2 4.2Å; F214-H289 HydrophobicContact CD1-CB 4.26Å; F214-H289 AromaticContact CD1-CD2 3.79Å; F214-H289 AromaticContact CD1-CG 3.97Å; F214-H289 AromaticContact CD2-CD2 3.42Å; F214-H289 VanDerWaalsContact CD2-CD2 3.42Å; F214-H289 WeakPolarHBondContact CD2-CD2 3.31Å; F214-H289 AromaticContact CD2-NE2 3.95Å; F214-H289 HydrophobicContact CE1-CB 3.49Å; F214-H289 VanDerWaalsContact CE1-CB 3.49Å; F214-H289 AromaticContact CE1-CD2 3.7Å; F214-H289 AromaticContact CE1-CG 3.67Å; F214-H289 HydrophobicContact CE2-CB 4.26Å; F214-H289 AromaticContact CE2-CD2 3.33Å; F214-H289 WeakPolarHBondContact CE2-CD2 3.44Å; F214-H289 AromaticContact CG-CD2 3.68Å; F214-H289 HydrophobicContact CZ-CB 3.5Å; F214-H289 AromaticContact CZ-CD2 3.48Å; F214-H289 VanDerWaalsContact CZ-CD2 3.48Å; F214-H289 WeakPolarHBondContact CZ-CD2 3.15Å; F214-H289 AromaticContact CZ-CG 3.74Å; F214-Y292 HydrophobicContact CB-CD2 4.17Å; F214-Y292 WeakPolarHBondContact CD1-O 3.36Å; F214-Y292 WeakPolarHBondContact CE1-O 3.09Å
215	H	98	Very high	97.8	Very high	97 Å²	97	41.2 Å²	41.2	45%	0.449	21%	0.205	S	C	.	.	H	α-helix	trans	-58.6	-48.4	172.2	175.8	-101.1	0	0	0	110.8	F184 K211 Y213 V217 K218 R219	F184-H215 AromaticContact CE1-CE1 3.83Å; K211-H215 WeakPolarHBondContact O-CB 3.45Å; K211-H215 PolarHBondContact O-N 3.11Å; Y213-H215 VanDerWaalsContact C-N 3.34Å; Y213-H215 PolarHBondContact O-N 2.85Å; H215-V217 PolarHBondContact O-N 2.88Å; H215-K218 PolarHBondContact O-N 3.27Å; H215-R219 WeakPolarHBondContact O-CG 3.36Å; H215-R219 PolarHBondContact O-N 3.19Å
216	F	98.5	Very high	97.8	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-59.7	-46.2	177.9	176.5	-105.1	0	0	0	113	P175 F184 L188 L191 T204 S212 Y213 K218 R219 C220 I229	P175-F216 HydrophobicContact CB-CB 3.9Å; P175-F216 HydrophobicContact CB-CG 4.09Å; P175-F216 HydrophobicContact CG-CB 4.4Å; P175-F216 HydrophobicContact CG-CD1 4.16Å; P175-F216 HydrophobicContact CG-CG 4.17Å; F184-F216 HydrophobicContact CE2-CD2 4.21Å; F184-F216 HydrophobicContact CZ-CD2 4.16Å; L188-F216 HydrophobicContact CD2-CD2 4.09Å; L188-F216 HydrophobicContact CD2-CE2 3.7Å; L191-F216 HydrophobicContact CD2-CE2 3.94Å; L191-F216 HydrophobicContact CD2-CZ 3.47Å; L191-F216 VanDerWaalsContact CD2-CZ 3.47Å; T204-F216 HydrophobicContact CG2-CD1 4.14Å; T204-F216 HydrophobicContact CG2-CE1 3.79Å; S212-F216 VanDerWaalsContact O-CB 3.27Å; S212-F216 WeakPolarHBondContact O-CB 3.42Å; S212-F216 PolarHBondContact O-N 3.22Å; Y213-F216 CarbonylContact O-C 3.45Å; Y213-F216 WeakPolarHBondContact O-CB 3.35Å; Y213-F216 PolarHBondContact O-N 3.19Å; Y213-F216 VanDerWaalsContact O-N 3.11Å; F216-K218 PolarHBondContact O-N 3.39Å; F216-R219 PolarHBondContact O-N 3.4Å; F216-C220 VanDerWaalsContact CZ-SG 3.56Å; F216-C220 WeakPolarHBondContact O-CB 3.4Å; F216-C220 PolarHBondContact O-N 2.88Å; F216-C220 PolarHBondContact O-SG 3.11Å; F216-I229 HydrophobicContact CD1-CG2 4.22Å; F216-I229 HydrophobicContact CE1-CG2 3.85Å
217	V	98.5	Very high	97.9	Very high	8 Å²	8	46.1 Å²	46.1	5%	0.048	24%	0.238	C	C	.	.	H	α-helix	trans	-59.1	-49.2	176.5	172.4	0	0	0	0	110.3	Y213 F214 H215 R219 C220 R221 I229 Y292	Y213-V217 HydrophobicContact CD1-CG2 4.04Å; Y213-V217 HydrophobicContact CD2-CG2 4.26Å; Y213-V217 HydrophobicContact CE1-CG2 3.58Å; Y213-V217 HydrophobicContact CE2-CG2 3.83Å; Y213-V217 HydrophobicContact CG-CG2 4.36Å; Y213-V217 VanDerWaalsContact CZ-CG2 3.47Å; Y213-V217 WeakPolarHBondContact O-CG2 3.26Å; Y213-V217 PolarHBondContact O-N 3.49Å; F214-V217 PolarHBondContact O-N 3.36Å; H215-V217 PolarHBondContact O-N 2.88Å; V217-R219 VanDerWaalsContact C-N 3.33Å; V217-R219 PolarHBondContact O-N 3.16Å; V217-C220 WeakPolarHBondContact O-CB 3.39Å; V217-C220 PolarHBondContact O-N 3.02Å; V217-R221 HydrophobicContact CG1-CG 4.34Å; V217-R221 WeakPolarHBondContact O-CG 3.36Å; V217-R221 PolarHBondContact O-N 3.43Å; V217-I229 HydrophobicContact CG2-CB 4.46Å; V217-I229 HydrophobicContact CG2-CD1 4.21Å; V217-I229 HydrophobicContact CG2-CG2 4.34Å; V217-Y292 HydrophobicContact CB-CD1 4.39Å; V217-Y292 HydrophobicContact CG1-CD1 3.76Å; V217-Y292 HydrophobicContact CG1-CG 4.44Å
218	K	98.2	Very high	97.9	Very high	78 Å²	78	46.4 Å²	46.4	34%	0.339	24%	0.24	S	C	.	.	H	α-helix	trans	-53.9	-51.1	176.4	-179.4	-173.9	-178	-47.4	0	111	F214 H215 F216 C220 R221 D222 Y292	F214-K218 WeakPolarHBondContact O-CB 3.42Å; F214-K218 PolarHBondContact O-N 2.88Å; H215-K218 PolarHBondContact O-N 3.27Å; F216-K218 PolarHBondContact O-N 3.39Å; K218-C220 VanDerWaalsContact C-N 3.3Å; K218-C220 PolarHBondContact O-N 2.88Å; K218-R221 PolarHBondContact O-N 3.46Å; K218-R221 VanDerWaalsContact O-N 3.15Å; K218-D222 VanDerWaalsContact NZ-CG 3.3Å; K218-D222 IonicContact NZ-OD1 2.67Å; K218-D222 PolarHBondContact NZ-OD1 3.21Å; K218-D222 IonicContact NZ-OD2 3.4Å; K218-D222 PolarHBondContact NZ-OD2 2.9Å; K218-D222 PolarHBondContact O-N 2.98Å; K218-Y292 HydrophobicContact CB-CE1 4Å; K218-Y292 HydrophobicContact CB-CE2 4.3Å; K218-Y292 HydrophobicContact CG-CE1 4.49Å; K218-Y292 WeakPolarHBondContact CG-OH 3.22Å
219	R	98.4	Very high	98.1	Very high	71 Å²	71	45.4 Å²	45.4	27%	0.268	24%	0.236	S	C	.	.	H	α-helix	trans	-64.5	-33.9	-178.3	-62.5	-63.1	-61.9	145.4	-4.7	112.4	F184 N185 L188 H215 F216 V217 D222 I223	F184-R219 HydrophobicContact CE1-CB 4.22Å; F184-R219 HydrophobicContact CE1-CG 4.06Å; N185-R219 PolarHBondContact OD1-NH2 2.69Å; L188-R219 HydrophobicContact CD1-CB 3.66Å; H215-R219 WeakPolarHBondContact O-CG 3.36Å; H215-R219 PolarHBondContact O-N 3.19Å; F216-R219 PolarHBondContact O-N 3.4Å; V217-R219 VanDerWaalsContact C-N 3.33Å; V217-R219 PolarHBondContact O-N 3.16Å; R219-D222 IonicContact CZ-OD2 2.73Å; R219-D222 IonicContact NH1-OD2 2.56Å; R219-D222 PolarHBondContact NH1-OD2 3.42Å; R219-I223 PolarHBondContact O-N 2.88Å
220	C	98.6	Very high	98.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65	-44.6	171.5	-70.4	0	0	0	0	111.9	F216 V217 K218 I223 G224 I225 I229	F216-C220 VanDerWaalsContact CZ-SG 3.56Å; F216-C220 WeakPolarHBondContact O-CB 3.4Å; F216-C220 PolarHBondContact O-N 2.88Å; F216-C220 PolarHBondContact O-SG 3.11Å; V217-C220 WeakPolarHBondContact O-CB 3.39Å; V217-C220 PolarHBondContact O-N 3.02Å; K218-C220 VanDerWaalsContact C-N 3.3Å; K218-C220 PolarHBondContact O-N 2.88Å; C220-I223 VanDerWaalsContact O-CG1 3.25Å; C220-I223 WeakPolarHBondContact O-CG1 3.38Å; C220-I223 PolarHBondContact O-N 3.27Å; C220-G224 PolarHBondContact O-N 3.44Å; C220-I225 HydrophobicContact CB-CB 4.05Å; C220-I225 HydrophobicContact CB-CD1 4.02Å; C220-I225 HydrophobicContact CB-CG1 4.49Å; C220-I225 HydrophobicContact CB-CG2 4.39Å; C220-I225 WeakPolarHBondContact O-CB 3.42Å; C220-I225 PolarHBondContact O-N 2.86Å; C220-I229 HydrophobicContact CB-CD1 3.68Å
221	R	98.1	Very high	98.2	Very high	98 Å²	98	43.2 Å²	43.2	37%	0.37	22%	0.221	S	C	.	.	H	α-helix	trans	-65.5	-40.2	176.8	-60.2	-41.1	179.4	-147.7	1.2	111.9	V217 K218 I223 G224 I225 V227	V217-R221 HydrophobicContact CG1-CG 4.34Å; V217-R221 WeakPolarHBondContact O-CG 3.36Å; V217-R221 PolarHBondContact O-N 3.43Å; K218-R221 PolarHBondContact O-N 3.46Å; K218-R221 VanDerWaalsContact O-N 3.15Å; R221-I223 PolarHBondContact O-N 3.02Å; R221-I223 VanDerWaalsContact O-N 3.12Å; R221-G224 PolarHBondContact O-N 2.92Å; R221-I225 WeakPolarHBondContact CD-O 3.29Å; R221-I225 PolarHBondContact NH1-O 3.35Å; R221-V227 PolarHBondContact NH1-O 3.01Å; R221-V227 PolarHBondContact NH2-O 2.82Å; R221-V227 VanDerWaalsContact NH2-O 3.16Å
222	D	98.1	Very high	98.3	Very high	81 Å²	81	35.6 Å²	35.6	43%	0.433	19%	0.188	S	C	.	.	H	α-helix	trans	-56.1	-28.7	177.2	-68.1	-16.7	0	0	0	112.5	K218 R219	K218-D222 VanDerWaalsContact NZ-CG 3.3Å; K218-D222 IonicContact NZ-OD1 2.67Å; K218-D222 PolarHBondContact NZ-OD1 3.21Å; K218-D222 IonicContact NZ-OD2 3.4Å; K218-D222 PolarHBondContact NZ-OD2 2.9Å; K218-D222 PolarHBondContact O-N 2.98Å; R219-D222 IonicContact CZ-OD2 2.73Å; R219-D222 IonicContact NH1-OD2 2.56Å; R219-D222 PolarHBondContact NH1-OD2 3.42Å
223	I	98.2	Very high	98.3	Very high	57 Å²	57	34.3 Å²	34.3	29%	0.292	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	11.5	179.6	69.2	177.2	0	0	0	113.5	L188 K192 R219 C220 R221 I225	L188-I223 HydrophobicContact CB-CD1 3.86Å; L188-I223 WeakPolarHBondContact O-CD1 3.14Å; K192-I223 HydrophobicContact CB-CD1 4.02Å; K192-I223 WeakPolarHBondContact CE-O 3.42Å; R219-I223 PolarHBondContact O-N 2.88Å; C220-I223 VanDerWaalsContact O-CG1 3.25Å; C220-I223 WeakPolarHBondContact O-CG1 3.38Å; C220-I223 PolarHBondContact O-N 3.27Å; R221-I223 PolarHBondContact O-N 3.02Å; R221-I223 VanDerWaalsContact O-N 3.12Å; I223-I225 HydrophobicContact CD1-CD1 4.05Å; I223-I225 HydrophobicContact CD1-CG1 4.37Å; I223-I225 HydrophobicContact CG1-CD1 4.29Å; I223-I225 HydrophobicContact CG1-CG1 4.14Å
224	G	98.1	Very high	98.2	Very high	43 Å²	43	35 Å²	35	44%	0.443	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	17.7	173.9	0	0	0	0	0	115.7	C220 R221 T226	C220-G224 PolarHBondContact O-N 3.44Å; R221-G224 PolarHBondContact O-N 2.92Å; G224-T226 PolarHBondContact O-N 3.11Å
225	I	98.6	Very high	98.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.18	C	C	.	.			trans	-73.8	117.4	166.9	-63	177.6	0	0	0	107.8	L191 K192 V195 I202 C220 R221 I223 V227	L191-I225 HydrophobicContact CB-CD1 4.39Å; L191-I225 HydrophobicContact CD2-CD1 3.87Å; L191-I225 HydrophobicContact CG-CD1 3.78Å; K192-I225 HydrophobicContact CB-CD1 4.31Å; K192-I225 HydrophobicContact CB-CG1 4.25Å; K192-I225 HydrophobicContact CD-CG1 3.65Å; V195-I225 HydrophobicContact CG2-CG2 4.2Å; I202-I225 HydrophobicContact CD1-CD1 4.47Å; I202-I225 HydrophobicContact CD1-CG2 3.67Å; C220-I225 HydrophobicContact CB-CB 4.05Å; C220-I225 HydrophobicContact CB-CD1 4.02Å; C220-I225 HydrophobicContact CB-CG1 4.49Å; C220-I225 HydrophobicContact CB-CG2 4.39Å; C220-I225 WeakPolarHBondContact O-CB 3.42Å; C220-I225 PolarHBondContact O-N 2.86Å; R221-I225 WeakPolarHBondContact CD-O 3.29Å; R221-I225 PolarHBondContact NH1-O 3.35Å; I223-I225 HydrophobicContact CD1-CD1 4.05Å; I223-I225 HydrophobicContact CD1-CG1 4.37Å; I223-I225 HydrophobicContact CG1-CD1 4.29Å; I223-I225 HydrophobicContact CG1-CG1 4.14Å; I225-V227 HydrophobicContact CG2-CG2 3.83Å
226	T	97.2	Very high	98	Very high	119 Å²	119	30.3 Å²	30.3	73%	0.73	16%	0.162	S	C	*	.			trans	-108	-19.6	-178.5	53.4	0	0	0	0	113.8	G224	G224-T226 PolarHBondContact O-N 3.11Å
227	V	98.4	Very high	97.7	Very high	23 Å²	23	32.9 Å²	32.9	14%	0.139	17%	0.174	C	C	.	.	S	Bend	trans	-59.7	157.1	-179.9	-62.8	0	0	0	0	112.8	V195 D200 I202 R221 I225	V195-V227 HydrophobicContact CG1-CG1 3.89Å; V195-V227 HydrophobicContact CG1-CG2 3.92Å; V195-V227 HydrophobicContact CG2-CG2 3.85Å; D200-V227 WeakPolarHBondContact O-CB 3.46Å; I202-V227 HydrophobicContact CD1-CG2 3.94Å; I202-V227 HydrophobicContact CG1-CG2 4.1Å; R221-V227 PolarHBondContact NH1-O 3.01Å; R221-V227 PolarHBondContact NH2-O 2.82Å; R221-V227 VanDerWaalsContact NH2-O 3.16Å; I225-V227 HydrophobicContact CG2-CG2 3.83Å
228	P	98.3	Very high	97.5	Very high	14 Å²	14	36.1 Å²	36.1	9%	0.091	19%	0.191	C	C	.	.			trans	-55.8	142	174.6	-26.3	35.8	0	0	0	112.8	I27 I31 F201 I202	I27-P228 HydrophobicContact CG2-CB 3.97Å; I27-P228 HydrophobicContact CG2-CG 3.73Å; I31-P228 HydrophobicContact CD1-CB 3.71Å; I31-P228 HydrophobicContact CD1-CG 3.65Å; F201-P228 HydrophobicContact CB-CB 4.06Å; F201-P228 HydrophobicContact CB-CG 4.42Å; I202-P228 PolarHBondContact N-O 2.99Å
229	I	98.7	Very high	97.4	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	106	177.3	-55.3	175.5	0	0	0	107.8	I202 T204 Y213 F216 V217 C220 P295	I202-I229 HydrophobicContact CB-CG1 4.37Å; I202-I229 HydrophobicContact CB-CG2 4.43Å; I202-I229 HydrophobicContact CD1-CG1 4.08Å; I202-I229 HydrophobicContact CG2-CG2 4.29Å; T204-I229 HydrophobicContact CG2-CG2 3.6Å; Y213-I229 HydrophobicContact CE2-CG2 3.94Å; Y213-I229 PolarHBondContact OH-O 3.4Å; F216-I229 HydrophobicContact CD1-CG2 4.22Å; F216-I229 HydrophobicContact CE1-CG2 3.85Å; V217-I229 HydrophobicContact CG2-CB 4.46Å; V217-I229 HydrophobicContact CG2-CD1 4.21Å; V217-I229 HydrophobicContact CG2-CG2 4.34Å; C220-I229 HydrophobicContact CB-CD1 3.68Å; I229-P295 WeakPolarHBondContact O-CD 3.16Å
230	I	98.6	Very high	97.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	118.5	-177.6	-55.9	179.5	0	0	0	109	I27 F37 F68 F201 I202 T204 H298	I27-I230 HydrophobicContact CD1-CD1 4.49Å; F37-I230 HydrophobicContact CE2-CD1 4.15Å; F37-I230 HydrophobicContact CZ-CD1 4.4Å; F68-I230 HydrophobicContact CE1-CD1 4.18Å; F68-I230 HydrophobicContact CZ-CD1 4.31Å; F201-I230 HydrophobicContact CD2-CD1 3.7Å; F201-I230 HydrophobicContact CD2-CG1 4.34Å; F201-I230 HydrophobicContact CE2-CD1 3.82Å; I202-I230 PolarHBondContact O-N 3.18Å; T204-I230 PolarHBondContact N-O 3.38Å; I230-H298 HydrophobicContact CG2-CB 3.61Å
231	P	98.6	Very high	97	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-67.7	130.5	176.1	27.8	-34.5	0	0	0	111.8	T204 F207 Y213 I233 L286 A294 S296 L297 H298	T204-P231 WeakPolarHBondContact OG1-CA 2.98Å; F207-P231 HydrophobicContact CE1-CB 3.84Å; F207-P231 HydrophobicContact CZ-CB 3.73Å; Y213-P231 HydrophobicContact CD2-CB 3.7Å; Y213-P231 HydrophobicContact CE2-CB 3.62Å; Y213-P231 HydrophobicContact CE2-CG 4.06Å; Y213-P231 HydrophobicContact CG-CB 4.36Å; P231-I233 HydrophobicContact CB-CD1 4.32Å; P231-L286 HydrophobicContact CB-CD1 4.04Å; P231-L286 HydrophobicContact CB-CD2 4.48Å; P231-L286 HydrophobicContact CG-CD1 4.13Å; P231-A294 HydrophobicContact CG-CB 3.75Å; P231-S296 WeakPolarHBondContact CD-O 3.3Å; P231-S296 WeakPolarHBondContact CG-O 3.13Å; P231-L297 HydrophobicContact CG-CD2 4.03Å; P231-H298 PolarHBondContact O-N 2.85Å
232	G	98.5	Very high	96.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	127.3	169	0	0	0	0	0	112.2	T204 F206 H298	T204-G232 VanDerWaalsContact O-CA 3.25Å; T204-G232 WeakPolarHBondContact O-CA 3.4Å; T204-G232 PolarHBondContact O-N 3.4Å; T204-G232 PolarHBondContact OG1-N 2.9Å; F206-G232 WeakPolarHBondContact CA-O 3.43Å; G232-H298 CarbonylContact C-O 3.55Å; G232-H298 WeakPolarHBondContact CA-O 3.47Å
233	I	98.4	Very high	96.7	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124	-176.8	-49.3	-58.9	0	0	0	108.2	F207 P231 P235 A279 M282 L286 L297 H298 F299 Y300	F207-I233 HydrophobicContact CZ-CD1 4.32Å; P231-I233 HydrophobicContact CB-CD1 4.32Å; I233-P235 WeakPolarHBondContact O-CD 3.45Å; I233-A279 HydrophobicContact CG2-CB 4.48Å; I233-M282 HydrophobicContact CD1-SD 4.1Å; I233-L286 HydrophobicContact CD1-CD1 3.54Å; I233-L297 HydrophobicContact CD1-CD2 4.38Å; I233-L297 HydrophobicContact CG1-CD2 4.21Å; I233-H298 PolarHBondContact N-O 3.08Å; I233-F299 HydrophobicContact CB-CD1 3.97Å; I233-F299 HydrophobicContact CB-CE1 4.09Å; I233-F299 HydrophobicContact CG2-CD1 4.08Å; I233-F299 HydrophobicContact CG2-CE1 3.93Å; I233-F299 WeakPolarHBondContact O-CA 3.45Å; I233-Y300 PolarHBondContact O-N 2.96Å
234	M	97	Very high	96.5	Very high	19 Å²	19	38 Å²	38	9%	0.094	21%	0.207	C	C	.	.			trans	-112.1	103.7	175.9	-174.4	161.2	72.4	0	0	110	F206 V236 F242 T245 Y300 L302	F206-M234 HydrophobicContact CB-CB 3.81Å; F206-M234 HydrophobicContact CD1-CB 4.32Å; F206-M234 HydrophobicContact CD1-CE 3.66Å; F206-M234 HydrophobicContact CD1-SD 3.94Å; F206-M234 HydrophobicContact CD2-CE 3.76Å; F206-M234 HydrophobicContact CE1-CE 3.44Å; F206-M234 VanDerWaalsContact CE1-CE 3.44Å; F206-M234 HydrophobicContact CE1-SD 4.05Å; F206-M234 HydrophobicContact CE2-CE 3.54Å; F206-M234 HydrophobicContact CG-CB 3.97Å; F206-M234 HydrophobicContact CG-CE 3.84Å; F206-M234 HydrophobicContact CG-SD 4.39Å; F206-M234 HydrophobicContact CZ-CE 3.38Å; M234-V236 PolarHBondContact O-N 3.31Å; M234-F242 HydrophobicContact CE-CD2 3.42Å; M234-F242 VanDerWaalsContact CE-CD2 3.42Å; M234-F242 HydrophobicContact CE-CE2 3.33Å; M234-F242 HydrophobicContact CE-CG 4.5Å; M234-F242 HydrophobicContact CE-CZ 4.39Å; M234-T245 HydrophobicContact CE-CG2 3.85Å; M234-T245 HydrophobicContact SD-CG2 4.03Å; M234-Y300 HydrophobicContact CB-CD2 4.2Å; M234-L302 HydrophobicContact SD-CD1 4.36Å
235	P	95.7	Very high	96.2	Very high	7 Å²	7	37.3 Å²	37.3	5%	0.045	20%	0.195	C	C	.	.			trans	-62	124.7	174.9	-24.1	35.6	0	0	0	112	I233 H237 F299 P307 I311	I233-P235 WeakPolarHBondContact O-CD 3.45Å; P235-H237 PolarHBondContact O-N 3.39Å; P235-F299 HydrophobicContact CG-CD1 4.23Å; P235-P307 HydrophobicContact CB-CB 3.77Å; P235-I311 HydrophobicContact CB-CD1 3.74Å; P235-I311 HydrophobicContact CG-CD1 3.6Å
236	V	95.7	Very high	96	Very high	12 Å²	12	37.3 Å²	37.3	7%	0.073	20%	0.195	C	C	.	.			trans	-80.9	111.8	176.1	-171.7	0	0	0	0	109.1	M234 F239 F242 M257 F261 G275	M234-V236 PolarHBondContact O-N 3.31Å; V236-F239 HydrophobicContact CG1-CD2 4.18Å; V236-F242 HydrophobicContact CB-CD2 4.45Å; V236-F242 HydrophobicContact CG1-CB 4.15Å; V236-F242 HydrophobicContact CG1-CD2 4.36Å; V236-F242 HydrophobicContact CG1-CG 4.19Å; V236-F242 HydrophobicContact CG2-CD2 3.63Å; V236-F242 HydrophobicContact CG2-CE2 3.62Å; V236-F242 HydrophobicContact CG2-CG 4.13Å; V236-F242 HydrophobicContact CG2-CZ 4.09Å; V236-M257 HydrophobicContact CG2-CE 4.21Å; V236-F261 HydrophobicContact CB-CE1 4.36Å; V236-F261 HydrophobicContact CB-CZ 4.07Å; V236-F261 HydrophobicContact CG1-CD1 4.49Å; V236-F261 HydrophobicContact CG1-CE1 3.84Å; V236-F261 HydrophobicContact CG1-CZ 3.89Å; V236-F261 HydrophobicContact CG2-CZ 4.45Å; V236-G275 WeakPolarHBondContact O-CA 3.34Å
237	H	92.3	Very high	95.8	Very high	55 Å²	55	36 Å²	36	26%	0.255	19%	0.19	S	C	.	.	S	Bend	trans	-119.3	-19.7	175.1	63.6	-83.4	0	0	0	112.9	P235 K272 P307	P235-H237 PolarHBondContact O-N 3.39Å; H237-K272 HydrophobicContact CB-CG 4.31Å; H237-P307 HydrophobicContact CB-CG 3.89Å
238	D	93.9	Very high	95.3	Very high	76 Å²	76	41.3 Å²	41.3	41%	0.406	22%	0.216	S	C	.	.			trans	-138.7	115.5	172.4	176.1	-30.2	0	0	0	106.7	E240 A241 F242	D238-E240 PolarHBondContact OD1-N 2.98Å; D238-A241 HydrophobicContact CB-CB 3.91Å; D238-A241 PolarHBondContact OD1-N 3.2Å; D238-F242 VanDerWaalsContact O-CB 3.25Å; D238-F242 WeakPolarHBondContact O-CB 3.32Å; D238-F242 PolarHBondContact O-N 3.46Å
239	F	95.7	Very high	94.9	Very high	5 Å²	5	42.5 Å²	42.5	2%	0.022	22%	0.224	C	C	.	.	H	α-helix	trans	-75.4	-29	-173.3	-171.3	-119	0	0	0	112.8	V236 F242 K243 T253 M257 F261 E262 V271	V236-F239 HydrophobicContact CG1-CD2 4.18Å; F239-F242 HydrophobicContact CD2-CD1 4.16Å; F239-F242 HydrophobicContact CE2-CD1 4.09Å; F239-F242 WeakPolarHBondContact O-CB 3.41Å; F239-F242 PolarHBondContact O-N 3.11Å; F239-K243 HydrophobicContact CD1-CD 4.38Å; F239-K243 HydrophobicContact CE1-CD 3.86Å; F239-K243 HydrophobicContact CE1-CG 4.16Å; F239-K243 HydrophobicContact CE2-CG 4.48Å; F239-K243 HydrophobicContact CZ-CD 4.19Å; F239-K243 HydrophobicContact CZ-CG 4.13Å; F239-K243 WeakPolarHBondContact O-CG 3.46Å; F239-K243 PolarHBondContact O-N 3.01Å; F239-T253 HydrophobicContact CE2-CG2 4.13Å; F239-T253 HydrophobicContact CZ-CG2 4.01Å; F239-M257 HydrophobicContact CE2-CB 4.41Å; F239-F261 HydrophobicContact CB-CB 4.17Å; F239-F261 HydrophobicContact CB-CD1 4.18Å; F239-F261 HydrophobicContact CB-CG 4.35Å; F239-F261 HydrophobicContact CD1-CB 3.45Å; F239-F261 VanDerWaalsContact CD1-CB 3.45Å; F239-F261 HydrophobicContact CD1-CG 4.31Å; F239-F261 HydrophobicContact CD2-CB 3.56Å; F239-F261 AromaticContact CD2-CD1 3.97Å; F239-F261 HydrophobicContact CD2-CD1 3.97Å; F239-F261 AromaticContact CD2-CD2 3.75Å; F239-F261 HydrophobicContact CD2-CD2 3.75Å; F239-F261 HydrophobicContact CD2-CE2 4.42Å; F239-F261 AromaticContact CD2-CG 3.49Å; F239-F261 HydrophobicContact CD2-CG 3.49Å; F239-F261 VanDerWaalsContact CD2-CG 3.49Å; F239-F261 HydrophobicContact CE1-CB 3.59Å; F239-F261 HydrophobicContact CE2-CB 3.7Å; F239-F261 AromaticContact CE2-CD2 3.63Å; F239-F261 HydrophobicContact CE2-CD2 3.63Å; F239-F261 HydrophobicContact CE2-CE2 4.42Å; F239-F261 AromaticContact CE2-CG 3.76Å; F239-F261 HydrophobicContact CE2-CG 3.76Å; F239-F261 HydrophobicContact CG-CB 3.44Å; F239-F261 VanDerWaalsContact CG-CB 3.44Å; F239-F261 HydrophobicContact CG-CD1 4.13Å; F239-F261 HydrophobicContact CG-CD2 4.49Å; F239-F261 AromaticContact CG-CG 3.8Å; F239-F261 HydrophobicContact CG-CG 3.8Å; F239-F261 HydrophobicContact CZ-CB 3.72Å; F239-F261 HydrophobicContact CZ-CD2 4.28Å; F239-F261 HydrophobicContact CZ-CG 4.28Å; F239-E262 HydrophobicContact CE1-CG 3.91Å; F239-V271 HydrophobicContact CB-CG1 4.15Å
240	E	94.5	Very high	94.4	Very high	158 Å²	158	44.9 Å²	44.9	74%	0.738	25%	0.248	S	C	*	.	H	α-helix	trans	-71.6	-46.5	176.4	-170.4	-177.6	174.6	0	0	110.5	D238 F242 K243 K244	D238-E240 PolarHBondContact OD1-N 2.98Å; E240-F242 PolarHBondContact O-N 3.48Å; E240-K243 PolarHBondContact O-N 3.37Å; E240-K244 PolarHBondContact O-N 3.15Å
241	A	93.6	Very high	94	Very high	40 Å²	40	46 Å²	46	33%	0.331	25%	0.253	S	S	.	.	H	α-helix	trans	-60.4	-36.6	173.5	0	0	0	0	0	111.7	D238 K244 T245	D238-A241 HydrophobicContact CB-CB 3.91Å; D238-A241 PolarHBondContact OD1-N 3.2Å; A241-K244 PolarHBondContact O-N 3.42Å; A241-T245 WeakPolarHBondContact O-CB 3.39Å; A241-T245 PolarHBondContact O-N 3.3Å; A241-T245 PolarHBondContact O-OG1 2.91Å
242	F	94.6	Very high	93.6	Very high	13 Å²	13	52 Å²	52	6%	0.057	29%	0.29	C	S	.	.	H	α-helix	trans	-62.8	-49.4	173.6	-179	-95.3	0	0	0	112.3	F206 F208 M234 V236 D238 F239 E240 K244 T245 C246 T253 M257	F206-F242 HydrophobicContact CE2-CE2 4.46Å; F206-F242 HydrophobicContact CE2-CZ 4.5Å; F208-F242 HydrophobicContact CD1-CE1 4.35Å; F208-F242 AromaticContact CD1-CZ 3.92Å; F208-F242 HydrophobicContact CD1-CZ 3.92Å; F208-F242 AromaticContact CE1-CE1 3.82Å; F208-F242 HydrophobicContact CE1-CE1 3.82Å; F208-F242 AromaticContact CE1-CZ 3.54Å; F208-F242 HydrophobicContact CE1-CZ 3.54Å; M234-F242 HydrophobicContact CE-CD2 3.42Å; M234-F242 VanDerWaalsContact CE-CD2 3.42Å; M234-F242 HydrophobicContact CE-CE2 3.33Å; M234-F242 HydrophobicContact CE-CG 4.5Å; M234-F242 HydrophobicContact CE-CZ 4.39Å; V236-F242 HydrophobicContact CB-CD2 4.45Å; V236-F242 HydrophobicContact CG1-CB 4.15Å; V236-F242 HydrophobicContact CG1-CD2 4.36Å; V236-F242 HydrophobicContact CG1-CG 4.19Å; V236-F242 HydrophobicContact CG2-CD2 3.63Å; V236-F242 HydrophobicContact CG2-CE2 3.62Å; V236-F242 HydrophobicContact CG2-CG 4.13Å; V236-F242 HydrophobicContact CG2-CZ 4.09Å; D238-F242 VanDerWaalsContact O-CB 3.25Å; D238-F242 WeakPolarHBondContact O-CB 3.32Å; D238-F242 PolarHBondContact O-N 3.46Å; F239-F242 HydrophobicContact CD2-CD1 4.16Å; F239-F242 HydrophobicContact CE2-CD1 4.09Å; F239-F242 WeakPolarHBondContact O-CB 3.41Å; F239-F242 PolarHBondContact O-N 3.11Å; E240-F242 PolarHBondContact O-N 3.48Å; F242-K244 VanDerWaalsContact C-N 3.3Å; F242-K244 PolarHBondContact O-N 3.13Å; F242-T245 WeakPolarHBondContact O-CB 3.5Å; F242-T245 PolarHBondContact O-N 2.89Å; F242-T245 VanDerWaalsContact O-N 3.13Å; F242-C246 VanDerWaalsContact CE1-SG 3.54Å; F242-C246 PolarHBondContact O-N 3.46Å; F242-C246 PolarHBondContact O-SG 3.22Å; F242-T253 HydrophobicContact CE1-CG2 4.2Å; F242-M257 HydrophobicContact CD1-CE 4.41Å; F242-M257 HydrophobicContact CE1-CE 3.56Å; F242-M257 HydrophobicContact CE1-SD 4.21Å; F242-M257 HydrophobicContact CZ-CE 3.72Å; F242-M257 HydrophobicContact CZ-SD 4.4Å
243	K	95.2	Very high	93.4	Very high	65 Å²	65	53 Å²	53	28%	0.283	30%	0.296	S	S	.	.	H	α-helix	trans	-57.9	-42.7	176.1	-77.3	-167.9	-70.7	-171.6	0	111.5	F239 E240 C246 S247 T253 E262	F239-K243 HydrophobicContact CD1-CD 4.38Å; F239-K243 HydrophobicContact CE1-CD 3.86Å; F239-K243 HydrophobicContact CE1-CG 4.16Å; F239-K243 HydrophobicContact CE2-CG 4.48Å; F239-K243 HydrophobicContact CZ-CD 4.19Å; F239-K243 HydrophobicContact CZ-CG 4.13Å; F239-K243 WeakPolarHBondContact O-CG 3.46Å; F239-K243 PolarHBondContact O-N 3.01Å; E240-K243 PolarHBondContact O-N 3.37Å; K243-C246 WeakPolarHBondContact O-CB 3.23Å; K243-C246 PolarHBondContact O-N 2.68Å; K243-S247 PolarHBondContact O-N 3.27Å; K243-T253 HydrophobicContact CG-CG2 4.49Å; K243-E262 IonicContact NZ-OE1 2.8Å; K243-E262 PolarHBondContact NZ-OE1 3.32Å
244	K	94.7	Very high	93.2	Very high	143 Å²	143	54.1 Å²	54.1	62%	0.622	30%	0.304	S	S	*	.	H	α-helix	trans	-61.6	-43.5	175.7	-174.9	177.6	-179.8	177.4	0	111.9	E240 A241 F242 S247 M248	E240-K244 PolarHBondContact O-N 3.15Å; A241-K244 PolarHBondContact O-N 3.42Å; F242-K244 VanDerWaalsContact C-N 3.3Å; F242-K244 PolarHBondContact O-N 3.13Å; K244-S247 PolarHBondContact O-N 2.82Å; K244-M248 HydrophobicContact CG-CE 4.43Å; K244-M248 WeakPolarHBondContact O-CG 3.48Å; K244-M248 PolarHBondContact O-N 2.85Å
245	T	93	Very high	93.2	Very high	29 Å²	29	58 Å²	58	18%	0.178	33%	0.329	C	S	.	.	H	α-helix	trans	-62.5	-44.5	176.9	-56.8	0	0	0	0	111.4	F206 M234 A241 F242 S247 M248 C249	F206-T245 HydrophobicContact CE1-CG2 4.11Å; F206-T245 HydrophobicContact CZ-CG2 4.33Å; M234-T245 HydrophobicContact CE-CG2 3.85Å; M234-T245 HydrophobicContact SD-CG2 4.03Å; A241-T245 WeakPolarHBondContact O-CB 3.39Å; A241-T245 PolarHBondContact O-N 3.3Å; A241-T245 PolarHBondContact O-OG1 2.91Å; F242-T245 WeakPolarHBondContact O-CB 3.5Å; F242-T245 PolarHBondContact O-N 2.89Å; F242-T245 VanDerWaalsContact O-N 3.13Å; T245-S247 PolarHBondContact O-N 3.34Å; T245-M248 PolarHBondContact O-N 2.83Å; T245-C249 PolarHBondContact O-N 2.76Å; T245-C249 PolarHBondContact O-SG 3.18Å; T245-C249 VanDerWaalsContact O-SG 3.37Å
246	C	93.7	Very high	93.3	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-56	-49.6	173.6	-65	0	0	0	0	111.5	F242 K243 M248 C249 G250 Q251	F242-C246 VanDerWaalsContact CE1-SG 3.54Å; F242-C246 PolarHBondContact O-N 3.46Å; F242-C246 PolarHBondContact O-SG 3.22Å; K243-C246 WeakPolarHBondContact O-CB 3.23Å; K243-C246 PolarHBondContact O-N 2.68Å; C246-M248 PolarHBondContact O-N 3.27Å; C246-C249 CarbonylContact O-C 3.47Å; C246-C249 PolarHBondContact O-N 3.4Å; C246-C249 VanDerWaalsContact O-N 3.09Å; C246-G250 PolarHBondContact O-N 3.42Å; C246-G250 VanDerWaalsContact O-N 3.13Å; C246-Q251 CarbonylContact C-O 3.22Å; C246-Q251 HydrophobicContact CB-CB 4.29Å; C246-Q251 WeakPolarHBondContact CB-O 3.27Å; C246-Q251 PolarHBondContact O-N 3.43Å; C246-Q251 VanDerWaalsContact O-O 3.12Å
247	S	92.2	Very high	93.3	Very high	91 Å²	91	62.3 Å²	62.3	64%	0.636	34%	0.343	S	S	*	.	H	α-helix	trans	-58.9	-44.4	178.8	-177.6	0	0	0	0	112.6	K243 K244 T245 C249 G250	K243-S247 PolarHBondContact O-N 3.27Å; K244-S247 PolarHBondContact O-N 2.82Å; T245-S247 PolarHBondContact O-N 3.34Å; S247-C249 VanDerWaalsContact C-N 3.28Å; S247-C249 PolarHBondContact O-N 3.12Å; S247-G250 PolarHBondContact O-N 2.79Å
248	M	88.9	Confident	93.5	Very high	136 Å²	136	60.9 Å²	60.9	67%	0.67	34%	0.339	S	S	*	.	H	α-helix	trans	-61.9	-34.5	175.5	-70.7	-173	-60	0	0	112.7	K244 T245 C246 G250	K244-M248 HydrophobicContact CG-CE 4.43Å; K244-M248 WeakPolarHBondContact O-CG 3.48Å; K244-M248 PolarHBondContact O-N 2.85Å; T245-M248 PolarHBondContact O-N 2.83Å; C246-M248 PolarHBondContact O-N 3.27Å; M248-G250 PolarHBondContact O-N 2.65Å
249	C	89.2	Confident	93.7	Very high	39 Å²	39	63.6 Å²	63.6	26%	0.264	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	1.5	174.7	-62.6	0	0	0	0	113.6	Q205 T245 C246 S247 Q251	Q205-C249 PolarHBondContact NE2-SG 3.44Å; Q205-C249 VanDerWaalsContact NE2-SG 3.39Å; T245-C249 PolarHBondContact O-N 2.76Å; T245-C249 PolarHBondContact O-SG 3.18Å; T245-C249 VanDerWaalsContact O-SG 3.37Å; C246-C249 CarbonylContact O-C 3.47Å; C246-C249 PolarHBondContact O-N 3.4Å; C246-C249 VanDerWaalsContact O-N 3.09Å; S247-C249 VanDerWaalsContact C-N 3.28Å; S247-C249 PolarHBondContact O-N 3.12Å; C249-Q251 HydrophobicContact CB-CG 4.25Å; C249-Q251 PolarHBondContact O-N 3.48Å
250	G	88.2	Confident	93.8	Very high	50 Å²	50	67 Å²	67	52%	0.515	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	22.3	-175.1	0	0	0	0	0	113.9	C246 S247 M248	C246-G250 PolarHBondContact O-N 3.42Å; C246-G250 VanDerWaalsContact O-N 3.13Å; S247-G250 PolarHBondContact O-N 2.79Å; M248-G250 PolarHBondContact O-N 2.65Å
251	Q	90.5	Very high	93.9	Very high	24 Å²	24	59.5 Å²	59.5	11%	0.112	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-99.6	143.1	175.7	-60.6	-170.8	13.8	0	0	110.8	F206 F208 C246 C249	F206-Q251 PolarHBondContact O-NE2 3.03Å; F208-Q251 HydrophobicContact CE2-CB 4.5Å; F208-Q251 HydrophobicContact CZ-CB 4.29Å; F208-Q251 VanDerWaalsContact CZ-OE1 3.31Å; C246-Q251 CarbonylContact C-O 3.22Å; C246-Q251 HydrophobicContact CB-CB 4.29Å; C246-Q251 WeakPolarHBondContact CB-O 3.27Å; C246-Q251 PolarHBondContact O-N 3.43Å; C246-Q251 VanDerWaalsContact O-O 3.12Å; C249-Q251 HydrophobicContact CB-CG 4.25Å; C249-Q251 PolarHBondContact O-N 3.48Å
252	V	91	Very high	94.1	Very high	127 Å²	127	61.7 Å²	61.7	77%	0.77	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-95.3	129.1	172.3	-178.8	0	0	0	0	108.7
253	T	93.6	Very high	94.2	Very high	19 Å²	19	66 Å²	66	12%	0.117	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-64.7	127.8	174.2	-54.2	0	0	0	0	109.7	F239 F242 K243 M257	F239-T253 HydrophobicContact CE2-CG2 4.13Å; F239-T253 HydrophobicContact CZ-CG2 4.01Å; F242-T253 HydrophobicContact CE1-CG2 4.2Å; K243-T253 HydrophobicContact CG-CG2 4.49Å; T253-M257 HydrophobicContact CG2-CB 4.01Å; T253-M257 HydrophobicContact CG2-SD 4.49Å
254	P	94.8	Very high	94.3	Very high	29 Å²	29	65.4 Å²	65.4	19%	0.188	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-61.2	144.5	-179.1	-25.1	34	0	0	0	113.3	F208 W256 M257 C258	F208-P254 HydrophobicContact CB-CG 3.72Å; F208-P254 HydrophobicContact CD1-CG 4.07Å; F208-P254 HydrophobicContact CD2-CG 3.51Å; F208-P254 HydrophobicContact CE2-CG 4.12Å; F208-P254 HydrophobicContact CG-CG 3.48Å; F208-P254 VanDerWaalsContact CG-CG 3.48Å; P254-W256 VanDerWaalsContact C-N 3.26Å; P254-W256 VanDerWaalsContact CB-CD1 3.43Å; P254-W256 HydrophobicContact CB-CG 4.24Å; P254-W256 VanDerWaalsContact CB-NE1 3.27Å; P254-W256 PolarHBondContact O-N 3.21Å; P254-M257 HydrophobicContact CB-CG 4.43Å; P254-M257 HydrophobicContact CG-SD 4.26Å; P254-M257 WeakPolarHBondContact O-CB 3.47Å; P254-M257 PolarHBondContact O-N 2.61Å; P254-C258 PolarHBondContact O-N 2.96Å
255	T	96.6	Very high	94.2	Very high	101 Å²	101	63 Å²	63	62%	0.62	35%	0.354	S	S	*	.	H	α-helix	trans	-54.8	-39.8	179.3	-51.6	0	0	0	0	113.1	M257 C258 Q259	T255-M257 VanDerWaalsContact C-N 3.27Å; T255-M257 PolarHBondContact O-N 3.4Å; T255-C258 PolarHBondContact O-N 2.98Å; T255-Q259 HydrophobicContact CG2-CG 4.39Å; T255-Q259 WeakPolarHBondContact O-CG 3.41Å; T255-Q259 PolarHBondContact O-N 2.75Å
256	W	96.8	Very high	94.3	Very high	101 Å²	101	69.7 Å²	69.7	38%	0.383	38%	0.383	S	S	.	.	H	α-helix	trans	-63	-34.5	178.8	69.2	-99.2	0	0	0	112	F208 P254 M260 L278	F208-W256 HydrophobicContact CB-CZ2 4.18Å; F208-W256 WeakPolarHBondContact O-CZ2 3.42Å; P254-W256 VanDerWaalsContact C-N 3.26Å; P254-W256 VanDerWaalsContact CB-CD1 3.43Å; P254-W256 HydrophobicContact CB-CG 4.24Å; P254-W256 VanDerWaalsContact CB-NE1 3.27Å; P254-W256 PolarHBondContact O-N 3.21Å; W256-M260 HydrophobicContact CE3-SD 3.65Å; W256-M260 HydrophobicContact CZ3-SD 3.9Å; W256-M260 VanDerWaalsContact O-CG 3.24Å; W256-M260 WeakPolarHBondContact O-CG 3.47Å; W256-M260 PolarHBondContact O-N 3.31Å; W256-L278 HydrophobicContact CH2-CD1 4.33Å; W256-L278 HydrophobicContact CZ3-CD1 3.96Å; W256-L278 HydrophobicContact CZ3-CD2 4.22Å
257	M	96.8	Very high	94.4	Very high	8 Å²	8	73.8 Å²	73.8	4%	0.039	41%	0.405	C	S	.	.	H	α-helix	trans	-68.7	-46.7	175	-70.4	-173.5	72.9	0	0	110.4	F208 V236 F239 F242 T253 P254 T255 Q259 M260 F261	F208-M257 HydrophobicContact CB-SD 4.1Å; F208-M257 HydrophobicContact CD1-CE 4.42Å; F208-M257 HydrophobicContact CD1-SD 3.42Å; F208-M257 WeakPolarHBondContact CD1-SD 3.38Å; F208-M257 HydrophobicContact CE1-SD 4.19Å; F208-M257 HydrophobicContact CG-SD 4.07Å; V236-M257 HydrophobicContact CG2-CE 4.21Å; F239-M257 HydrophobicContact CE2-CB 4.41Å; F242-M257 HydrophobicContact CD1-CE 4.41Å; F242-M257 HydrophobicContact CE1-CE 3.56Å; F242-M257 HydrophobicContact CE1-SD 4.21Å; F242-M257 HydrophobicContact CZ-CE 3.72Å; F242-M257 HydrophobicContact CZ-SD 4.4Å; T253-M257 HydrophobicContact CG2-CB 4.01Å; T253-M257 HydrophobicContact CG2-SD 4.49Å; P254-M257 HydrophobicContact CB-CG 4.43Å; P254-M257 HydrophobicContact CG-SD 4.26Å; P254-M257 WeakPolarHBondContact O-CB 3.47Å; P254-M257 PolarHBondContact O-N 2.61Å; T255-M257 VanDerWaalsContact C-N 3.27Å; T255-M257 PolarHBondContact O-N 3.4Å; M257-Q259 VanDerWaalsContact C-N 3.31Å; M257-Q259 PolarHBondContact O-N 3.07Å; M257-M260 PolarHBondContact O-N 2.85Å; M257-M260 VanDerWaalsContact O-N 3.08Å; M257-F261 HydrophobicContact CB-CD2 4.37Å; M257-F261 HydrophobicContact CE-CD2 4.47Å; M257-F261 HydrophobicContact CE-CE2 3.94Å; M257-F261 WeakPolarHBondContact O-CD2 3.21Å; M257-F261 PolarHBondContact O-N 3.08Å
258	C	96.8	Very high	94.6	Very high	24 Å²	24	72.9 Å²	72.9	16%	0.162	40%	0.403	C	S	.	.	H	α-helix	trans	-56.7	-46.4	177	-61.2	0	0	0	0	111.4	P254 T255 M260 F261 E262	P254-C258 PolarHBondContact O-N 2.96Å; T255-C258 PolarHBondContact O-N 2.98Å; C258-M260 PolarHBondContact O-N 2.68Å; C258-F261 PolarHBondContact O-N 3.3Å; C258-E262 HydrophobicContact CB-CG 4.32Å; C258-E262 VanDerWaalsContact O-CB 3.25Å; C258-E262 WeakPolarHBondContact O-CB 3.32Å; C258-E262 VanDerWaalsContact O-CG 3.27Å; C258-E262 WeakPolarHBondContact O-CG 3.49Å; C258-E262 PolarHBondContact O-N 3.15Å
259	Q	97.7	Very high	94.9	Very high	134 Å²	134	72.5 Å²	72.5	63%	0.626	40%	0.4	S	S	*	.	H	α-helix	trans	-59	-31.7	177.2	-73.2	171.7	-16	0	0	113.5	T255 M257 P263	T255-Q259 HydrophobicContact CG2-CG 4.39Å; T255-Q259 WeakPolarHBondContact O-CG 3.41Å; T255-Q259 PolarHBondContact O-N 2.75Å; M257-Q259 VanDerWaalsContact C-N 3.31Å; M257-Q259 PolarHBondContact O-N 3.07Å; Q259-P263 WeakPolarHBondContact O-CD 3.44Å; Q259-P263 WeakPolarHBondContact O-CG 3.46Å
260	M	97.2	Very high	95.3	Very high	76 Å²	76	72 Å²	72	37%	0.374	40%	0.398	S	S	.	.	H	α-helix	trans	-84.2	-39.2	179.3	-70.7	179.1	67.2	0	0	113.2	W256 M257 C258 L274 L278	W256-M260 HydrophobicContact CE3-SD 3.65Å; W256-M260 HydrophobicContact CZ3-SD 3.9Å; W256-M260 VanDerWaalsContact O-CG 3.24Å; W256-M260 WeakPolarHBondContact O-CG 3.47Å; W256-M260 PolarHBondContact O-N 3.31Å; M257-M260 PolarHBondContact O-N 2.85Å; M257-M260 VanDerWaalsContact O-N 3.08Å; C258-M260 PolarHBondContact O-N 2.68Å; M260-L274 HydrophobicContact CB-CD2 4.11Å; M260-L274 HydrophobicContact CE-CD1 3.81Å; M260-L274 HydrophobicContact CE-CD2 4.3Å; M260-L274 HydrophobicContact CE-CG 4.46Å; M260-L278 HydrophobicContact CE-CD1 4.35Å; M260-L278 HydrophobicContact CE-CD2 4.07Å
261	F	97.5	Very high	95.8	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-93	-36.5	-172.7	-79.1	-81.6	0	0	0	114.3	V236 F239 M257 C258 P263 I264 Q265 V271 L274 L278	V236-F261 HydrophobicContact CB-CE1 4.36Å; V236-F261 HydrophobicContact CB-CZ 4.07Å; V236-F261 HydrophobicContact CG1-CD1 4.49Å; V236-F261 HydrophobicContact CG1-CE1 3.84Å; V236-F261 HydrophobicContact CG1-CZ 3.89Å; V236-F261 HydrophobicContact CG2-CZ 4.45Å; F239-F261 HydrophobicContact CB-CB 4.17Å; F239-F261 HydrophobicContact CB-CD1 4.18Å; F239-F261 HydrophobicContact CB-CG 4.35Å; F239-F261 HydrophobicContact CD1-CB 3.45Å; F239-F261 VanDerWaalsContact CD1-CB 3.45Å; F239-F261 HydrophobicContact CD1-CG 4.31Å; F239-F261 HydrophobicContact CD2-CB 3.56Å; F239-F261 AromaticContact CD2-CD1 3.97Å; F239-F261 HydrophobicContact CD2-CD1 3.97Å; F239-F261 AromaticContact CD2-CD2 3.75Å; F239-F261 HydrophobicContact CD2-CD2 3.75Å; F239-F261 HydrophobicContact CD2-CE2 4.42Å; F239-F261 AromaticContact CD2-CG 3.49Å; F239-F261 HydrophobicContact CD2-CG 3.49Å; F239-F261 VanDerWaalsContact CD2-CG 3.49Å; F239-F261 HydrophobicContact CE1-CB 3.59Å; F239-F261 HydrophobicContact CE2-CB 3.7Å; F239-F261 AromaticContact CE2-CD2 3.63Å; F239-F261 HydrophobicContact CE2-CD2 3.63Å; F239-F261 HydrophobicContact CE2-CE2 4.42Å; F239-F261 AromaticContact CE2-CG 3.76Å; F239-F261 HydrophobicContact CE2-CG 3.76Å; F239-F261 HydrophobicContact CG-CB 3.44Å; F239-F261 VanDerWaalsContact CG-CB 3.44Å; F239-F261 HydrophobicContact CG-CD1 4.13Å; F239-F261 HydrophobicContact CG-CD2 4.49Å; F239-F261 AromaticContact CG-CG 3.8Å; F239-F261 HydrophobicContact CG-CG 3.8Å; F239-F261 HydrophobicContact CZ-CB 3.72Å; F239-F261 HydrophobicContact CZ-CD2 4.28Å; F239-F261 HydrophobicContact CZ-CG 4.28Å; M257-F261 HydrophobicContact CB-CD2 4.37Å; M257-F261 HydrophobicContact CE-CD2 4.47Å; M257-F261 HydrophobicContact CE-CE2 3.94Å; M257-F261 WeakPolarHBondContact O-CD2 3.21Å; M257-F261 PolarHBondContact O-N 3.08Å; C258-F261 PolarHBondContact O-N 3.3Å; F261-P263 VanDerWaalsContact C-CD 3.48Å; F261-I264 CarbonylContact O-C 3.55Å; F261-I264 VanDerWaalsContact O-CG1 3.3Å; F261-I264 WeakPolarHBondContact O-CG1 3.42Å; F261-I264 PolarHBondContact O-N 3.06Å; F261-I264 VanDerWaalsContact O-N 3.1Å; F261-Q265 PolarHBondContact O-N 2.76Å; F261-V271 HydrophobicContact CD1-CG1 4Å; F261-V271 HydrophobicContact CE1-CG1 4.09Å; F261-L274 HydrophobicContact CD1-CD2 4.06Å; F261-L274 HydrophobicContact CD2-CD2 4.43Å; F261-L274 HydrophobicContact CE1-CB 4.12Å; F261-L274 HydrophobicContact CE1-CD2 3.98Å; F261-L274 HydrophobicContact CE1-CG 4.08Å; F261-L274 HydrophobicContact CE2-CD2 4.34Å; F261-L274 HydrophobicContact CG-CD2 4.29Å; F261-L274 HydrophobicContact CZ-CB 4.44Å; F261-L274 HydrophobicContact CZ-CD2 4.12Å; F261-L274 HydrophobicContact CZ-CG 4.02Å; F261-L278 HydrophobicContact CE2-CD1 3.63Å; F261-L278 HydrophobicContact CZ-CD1 3.88Å
262	E	96.2	Very high	96.1	Very high	87 Å²	87	71.3 Å²	71.3	41%	0.407	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-59.4	-39	-177	-67.7	-179.7	161.4	0	0	113.3	F239 K243 C258 I264 Q265	F239-E262 HydrophobicContact CE1-CG 3.91Å; K243-E262 IonicContact NZ-OE1 2.8Å; K243-E262 PolarHBondContact NZ-OE1 3.32Å; C258-E262 HydrophobicContact CB-CG 4.32Å; C258-E262 VanDerWaalsContact O-CB 3.25Å; C258-E262 WeakPolarHBondContact O-CB 3.32Å; C258-E262 VanDerWaalsContact O-CG 3.27Å; C258-E262 WeakPolarHBondContact O-CG 3.49Å; C258-E262 PolarHBondContact O-N 3.15Å; E262-I264 PolarHBondContact O-N 3.46Å; E262-Q265 WeakPolarHBondContact O-CG 3.49Å; E262-Q265 PolarHBondContact O-N 3.29Å
263	P	97.1	Very high	96.4	Very high	103 Å²	103	69 Å²	69	67%	0.669	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-63.9	-21.9	176.8	-24.2	35.6	0	0	0	114.8	Q259 F261	Q259-P263 WeakPolarHBondContact O-CD 3.44Å; Q259-P263 WeakPolarHBondContact O-CG 3.46Å; F261-P263 VanDerWaalsContact C-CD 3.48Å
264	I	97	Very high	96.6	Very high	53 Å²	53	69.8 Å²	69.8	27%	0.272	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-114.3	5.2	-176.5	64.7	168.6	0	0	0	112.9	F261 E262 E266 N267 A270 V271 L274	F261-I264 CarbonylContact O-C 3.55Å; F261-I264 VanDerWaalsContact O-CG1 3.3Å; F261-I264 WeakPolarHBondContact O-CG1 3.42Å; F261-I264 PolarHBondContact O-N 3.06Å; F261-I264 VanDerWaalsContact O-N 3.1Å; E262-I264 PolarHBondContact O-N 3.46Å; I264-E266 PolarHBondContact O-N 2.76Å; I264-E266 VanDerWaalsContact O-N 3.1Å; I264-N267 PolarHBondContact O-N 3.05Å; I264-A270 HydrophobicContact CB-CB 4.28Å; I264-A270 HydrophobicContact CD1-CB 4.1Å; I264-V271 HydrophobicContact CD1-CG2 4.36Å; I264-V271 HydrophobicContact CG1-CG2 4.1Å; I264-V271 WeakPolarHBondContact O-CG2 3.49Å; I264-L274 HydrophobicContact CD1-CB 4.12Å; I264-L274 HydrophobicContact CD1-CD2 3.67Å
265	Q	94.1	Very high	96.7	Very high	91 Å²	91	68.5 Å²	68.5	43%	0.425	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.8	-167.7	71.3	-177.2	7.4	0	0	113.9	F261 E262 N267	F261-Q265 PolarHBondContact O-N 2.76Å; E262-Q265 WeakPolarHBondContact O-CG 3.49Å; E262-Q265 PolarHBondContact O-N 3.29Å; Q265-N267 PolarHBondContact O-N 2.91Å
266	E	94	Very high	96.8	Very high	170 Å²	170	64 Å²	64	79%	0.794	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-10.3	178.3	-54.1	-55.5	145	0	0	112.9	I264	I264-E266 PolarHBondContact O-N 2.76Å; I264-E266 VanDerWaalsContact O-N 3.1Å
267	N	97	Very high	96.9	Very high	86 Å²	86	64.1 Å²	64.1	46%	0.46	34%	0.336	S	S	.	.			trans	-106.8	93.7	176	-175.7	-23.6	0	0	0	110.1	I264 Q265 E269 A270 V271	I264-N267 PolarHBondContact O-N 3.05Å; Q265-N267 PolarHBondContact O-N 2.91Å; N267-E269 VanDerWaalsContact C-N 3.25Å; N267-E269 PolarHBondContact O-N 3.04Å; N267-E269 PolarHBondContact OD1-N 3.37Å; N267-A270 HydrophobicContact CB-CB 3.88Å; N267-A270 PolarHBondContact O-N 2.73Å; N267-A270 VanDerWaalsContact O-N 3.13Å; N267-A270 PolarHBondContact OD1-N 3.48Å; N267-V271 WeakPolarHBondContact O-CG2 3.4Å; N267-V271 PolarHBondContact O-N 3.45Å
268	A	95.2	Very high	97	Very high	73 Å²	73	65.1 Å²	65.1	60%	0.603	34%	0.341	S	S	*	.	H	α-helix	trans	-56.1	-36.1	-178.3	0	0	0	0	0	113.6	K272	A268-K272 VanDerWaalsContact O-CB 3.27Å; A268-K272 WeakPolarHBondContact O-CB 3.44Å; A268-K272 PolarHBondContact O-N 3.24Å
269	E	96.6	Very high	97	Very high	128 Å²	128	64.2 Å²	64.2	60%	0.598	34%	0.336	S	S	*	.	H	α-helix	trans	-70.5	-42.8	178.3	-174.7	172.5	-170.2	0	0	111.6	N267 K272 N273	N267-E269 VanDerWaalsContact C-N 3.25Å; N267-E269 PolarHBondContact O-N 3.04Å; N267-E269 PolarHBondContact OD1-N 3.37Å; E269-K272 PolarHBondContact O-N 3.45Å; E269-N273 WeakPolarHBondContact O-CB 3.31Å; E269-N273 PolarHBondContact O-N 2.93Å; E269-N273 PolarHBondContact O-ND2 2.95Å
270	A	97.4	Very high	97.1	Very high	28 Å²	28	58.3 Å²	58.3	23%	0.231	31%	0.309	C	S	.	.	H	α-helix	trans	-63.5	-44.1	176.1	0	0	0	0	0	111.9	I264 N267 K272 N273 L274	I264-A270 HydrophobicContact CB-CB 4.28Å; I264-A270 HydrophobicContact CD1-CB 4.1Å; N267-A270 HydrophobicContact CB-CB 3.88Å; N267-A270 PolarHBondContact O-N 2.73Å; N267-A270 VanDerWaalsContact O-N 3.13Å; N267-A270 PolarHBondContact OD1-N 3.48Å; A270-K272 PolarHBondContact O-N 2.71Å; A270-N273 PolarHBondContact O-N 2.77Å; A270-L274 WeakPolarHBondContact O-CB 3.28Å; A270-L274 PolarHBondContact O-N 3.28Å
271	V	97.6	Very high	97.1	Very high	3 Å²	3	59 Å²	59	2%	0.018	31%	0.311	C	S	.	.	H	α-helix	trans	-57.1	-49.7	175	169.2	0	0	0	0	110.5	F239 F261 I264 N267 N273 L274 G275	F239-V271 HydrophobicContact CB-CG1 4.15Å; F261-V271 HydrophobicContact CD1-CG1 4Å; F261-V271 HydrophobicContact CE1-CG1 4.09Å; I264-V271 HydrophobicContact CD1-CG2 4.36Å; I264-V271 HydrophobicContact CG1-CG2 4.1Å; I264-V271 WeakPolarHBondContact O-CG2 3.49Å; N267-V271 WeakPolarHBondContact O-CG2 3.4Å; N267-V271 PolarHBondContact O-N 3.45Å; V271-N273 PolarHBondContact O-N 3.16Å; V271-L274 PolarHBondContact O-N 3Å; V271-G275 PolarHBondContact O-N 2.94Å
272	K	96.5	Very high	97.2	Very high	56 Å²	56	60.2 Å²	60.2	24%	0.243	32%	0.317	C	S	.	.	H	α-helix	trans	-61.2	-46.3	179.7	-172.8	-172.6	73.8	154.1	0	112.2	H237 A268 E269 A270 G275 I276 E306	H237-K272 HydrophobicContact CB-CG 4.31Å; A268-K272 VanDerWaalsContact O-CB 3.27Å; A268-K272 WeakPolarHBondContact O-CB 3.44Å; A268-K272 PolarHBondContact O-N 3.24Å; E269-K272 PolarHBondContact O-N 3.45Å; A270-K272 PolarHBondContact O-N 2.71Å; K272-G275 PolarHBondContact O-N 2.55Å; K272-I276 HydrophobicContact CG-CD1 4.09Å; K272-I276 VanDerWaalsContact O-CG1 3.31Å; K272-I276 WeakPolarHBondContact O-CG1 3.32Å; K272-I276 PolarHBondContact O-N 3.5Å; K272-E306 WeakPolarHBondContact CD-OE2 3.49Å; K272-E306 VanDerWaalsContact CE-OE2 3.28Å; K272-E306 WeakPolarHBondContact CE-OE2 3.27Å; K272-E306 IonicContact NZ-OE1 3.85Å; K272-E306 IonicContact NZ-OE2 3.21Å; K272-E306 PolarHBondContact NZ-OE2 2.94Å
273	N	97.7	Very high	97.3	Very high	79 Å²	79	56.1 Å²	56.1	42%	0.422	30%	0.298	S	S	.	.	H	α-helix	trans	-64	-41.5	179.7	-71.4	-17.4	0	0	0	111.7	E269 A270 V271 I276 H277	E269-N273 WeakPolarHBondContact O-CB 3.31Å; E269-N273 PolarHBondContact O-N 2.93Å; E269-N273 PolarHBondContact O-ND2 2.95Å; A270-N273 PolarHBondContact O-N 2.77Å; V271-N273 PolarHBondContact O-N 3.16Å; N273-I276 PolarHBondContact O-N 3.36Å; N273-H277 WeakPolarHBondContact O-CB 3.5Å; N273-H277 PolarHBondContact O-N 3.48Å
274	L	98.2	Very high	97.3	Very high	36 Å²	36	56.2 Å²	56.2	19%	0.188	29%	0.29	C	S	.	.	H	α-helix	trans	-65.3	-42.4	175.4	-177.4	60.1	0	0	0	112	M260 F261 I264 A270 V271 H277 L278	M260-L274 HydrophobicContact CB-CD2 4.11Å; M260-L274 HydrophobicContact CE-CD1 3.81Å; M260-L274 HydrophobicContact CE-CD2 4.3Å; M260-L274 HydrophobicContact CE-CG 4.46Å; F261-L274 HydrophobicContact CD1-CD2 4.06Å; F261-L274 HydrophobicContact CD2-CD2 4.43Å; F261-L274 HydrophobicContact CE1-CB 4.12Å; F261-L274 HydrophobicContact CE1-CD2 3.98Å; F261-L274 HydrophobicContact CE1-CG 4.08Å; F261-L274 HydrophobicContact CE2-CD2 4.34Å; F261-L274 HydrophobicContact CG-CD2 4.29Å; F261-L274 HydrophobicContact CZ-CB 4.44Å; F261-L274 HydrophobicContact CZ-CD2 4.12Å; F261-L274 HydrophobicContact CZ-CG 4.02Å; I264-L274 HydrophobicContact CD1-CB 4.12Å; I264-L274 HydrophobicContact CD1-CD2 3.67Å; A270-L274 WeakPolarHBondContact O-CB 3.28Å; A270-L274 PolarHBondContact O-N 3.28Å; V271-L274 PolarHBondContact O-N 3Å; L274-H277 WeakPolarHBondContact O-CB 3.44Å; L274-H277 PolarHBondContact O-N 3.25Å; L274-L278 HydrophobicContact CD1-CG 4.48Å; L274-L278 HydrophobicContact CG-CD1 4.4Å; L274-L278 WeakPolarHBondContact O-CG 3.11Å; L274-L278 PolarHBondContact O-N 3.21Å
275	G	97.7	Very high	97.4	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-64	-39.7	176.6	0	0	0	0	0	113.5	V236 V271 K272 A279	V236-G275 WeakPolarHBondContact O-CA 3.34Å; V271-G275 PolarHBondContact O-N 2.94Å; K272-G275 PolarHBondContact O-N 2.55Å; G275-A279 WeakPolarHBondContact O-CB 3.29Å; G275-A279 PolarHBondContact O-N 2.69Å
276	I	98.3	Very high	97.6	Very high	6 Å²	6	52.8 Å²	52.8	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-48.2	171.2	-72.6	166	0	0	0	110.2	K272 N273 L278 A279 V280 P307 T310 I311	K272-I276 HydrophobicContact CG-CD1 4.09Å; K272-I276 VanDerWaalsContact O-CG1 3.31Å; K272-I276 WeakPolarHBondContact O-CG1 3.32Å; K272-I276 PolarHBondContact O-N 3.5Å; N273-I276 PolarHBondContact O-N 3.36Å; I276-L278 PolarHBondContact O-N 3.25Å; I276-A279 PolarHBondContact O-N 2.81Å; I276-V280 HydrophobicContact CG2-CG2 4.32Å; I276-V280 WeakPolarHBondContact O-CG2 3.34Å; I276-V280 PolarHBondContact O-N 3.42Å; I276-P307 HydrophobicContact CG1-CB 4.26Å; I276-T310 HydrophobicContact CD1-CG2 4.08Å; I276-T310 HydrophobicContact CG2-CG2 3.84Å; I276-I311 HydrophobicContact CB-CG1 4.47Å; I276-I311 HydrophobicContact CG1-CG1 4.43Å; I276-I311 HydrophobicContact CG2-CG1 4.08Å
277	H	98.2	Very high	97.8	Very high	104 Å²	104	46.1 Å²	46.1	48%	0.481	24%	0.242	S	C	.	.	H	α-helix	trans	-57.4	-48.8	-179.8	175.7	74.2	0	0	0	112.1	N273 L274 A279 V280 Q281	N273-H277 WeakPolarHBondContact O-CB 3.5Å; N273-H277 PolarHBondContact O-N 3.48Å; L274-H277 WeakPolarHBondContact O-CB 3.44Å; L274-H277 PolarHBondContact O-N 3.25Å; H277-A279 VanDerWaalsContact C-N 3.35Å; H277-A279 PolarHBondContact O-N 3.22Å; H277-V280 PolarHBondContact O-N 3.36Å; H277-Q281 PolarHBondContact O-N 3.31Å
278	L	98.1	Very high	97.7	Very high	29 Å²	29	45 Å²	45	15%	0.152	25%	0.251	C	S	.	.	H	α-helix	trans	-63.6	-39.2	177.7	-68.5	176.2	0	0	0	112.4	W256 M260 F261 L274 I276 M282	W256-L278 HydrophobicContact CH2-CD1 4.33Å; W256-L278 HydrophobicContact CZ3-CD1 3.96Å; W256-L278 HydrophobicContact CZ3-CD2 4.22Å; M260-L278 HydrophobicContact CE-CD1 4.35Å; M260-L278 HydrophobicContact CE-CD2 4.07Å; F261-L278 HydrophobicContact CE2-CD1 3.63Å; F261-L278 HydrophobicContact CZ-CD1 3.88Å; L274-L278 HydrophobicContact CD1-CG 4.48Å; L274-L278 HydrophobicContact CG-CD1 4.4Å; L274-L278 WeakPolarHBondContact O-CG 3.11Å; L274-L278 PolarHBondContact O-N 3.21Å; I276-L278 PolarHBondContact O-N 3.25Å; L278-M282 WeakPolarHBondContact O-CB 3.29Å; L278-M282 PolarHBondContact O-N 2.65Å
279	A	98.3	Very high	97.8	Very high	6 Å²	6	44.1 Å²	44.1	5%	0.05	23%	0.234	C	C	.	.	H	α-helix	trans	-67	-39.9	177.2	0	0	0	0	0	112.2	I233 G275 I276 H277 M282 C283 I311	I233-A279 HydrophobicContact CG2-CB 4.48Å; G275-A279 WeakPolarHBondContact O-CB 3.29Å; G275-A279 PolarHBondContact O-N 2.69Å; I276-A279 PolarHBondContact O-N 2.81Å; H277-A279 VanDerWaalsContact C-N 3.35Å; H277-A279 PolarHBondContact O-N 3.22Å; A279-M282 PolarHBondContact O-N 2.8Å; A279-C283 WeakPolarHBondContact O-CB 3.38Å; A279-C283 PolarHBondContact O-N 2.98Å; A279-C283 PolarHBondContact O-SG 3.1Å; A279-I311 HydrophobicContact CB-CD1 3.47Å; A279-I311 VanDerWaalsContact CB-CD1 3.47Å; A279-I311 HydrophobicContact CB-CG1 4.02Å
280	V	98.6	Very high	97.5	Very high	9 Å²	9	43.4 Å²	43.4	6%	0.055	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-48.1	175.4	167.9	0	0	0	0	110.8	I276 H277 M282 C283 Q284 I311 Q314 I315	I276-V280 HydrophobicContact CG2-CG2 4.32Å; I276-V280 WeakPolarHBondContact O-CG2 3.34Å; I276-V280 PolarHBondContact O-N 3.42Å; H277-V280 PolarHBondContact O-N 3.36Å; V280-M282 VanDerWaalsContact C-N 3.33Å; V280-M282 PolarHBondContact O-N 3.37Å; V280-C283 PolarHBondContact O-N 3.35Å; V280-Q284 WeakPolarHBondContact O-CG 3.26Å; V280-Q284 PolarHBondContact O-N 3.31Å; V280-I311 HydrophobicContact CG2-CB 4.2Å; V280-I311 HydrophobicContact CG2-CG1 4.09Å; V280-I311 HydrophobicContact CG2-CG2 4Å; V280-Q314 HydrophobicContact CG1-CB 4.2Å; V280-Q314 HydrophobicContact CG2-CB 3.86Å; V280-I315 HydrophobicContact CG1-CG2 4.02Å; V280-I315 HydrophobicContact CG2-CG2 4.47Å
281	Q	98.2	Very high	97.2	Very high	91 Å²	91	46.3 Å²	46.3	43%	0.425	26%	0.262	S	S	.	.	H	α-helix	trans	-58.3	-47	176.8	-172.6	-171.8	-43.1	0	0	111	H277 C283 Q284 E285	H277-Q281 PolarHBondContact O-N 3.31Å; Q281-C283 PolarHBondContact O-N 3.31Å; Q281-Q284 PolarHBondContact O-N 2.92Å; Q281-E285 PolarHBondContact NE2-OE1 2.83Å; Q281-E285 WeakPolarHBondContact O-CG 3.4Å; Q281-E285 PolarHBondContact O-N 3.03Å
282	M	98.4	Very high	97	Very high	26 Å²	26	49.7 Å²	49.7	13%	0.128	28%	0.275	C	S	.	.	H	α-helix	trans	-60.6	-44.2	177.8	-171.3	-175.4	-53.4	0	0	112.1	F207 I233 L278 A279 V280 E285 L286	F207-M282 HydrophobicContact CD2-SD 4.05Å; F207-M282 HydrophobicContact CE2-CG 4.35Å; F207-M282 HydrophobicContact CE2-SD 3.66Å; F207-M282 HydrophobicContact CZ-SD 4.43Å; I233-M282 HydrophobicContact CD1-SD 4.1Å; L278-M282 WeakPolarHBondContact O-CB 3.29Å; L278-M282 PolarHBondContact O-N 2.65Å; A279-M282 PolarHBondContact O-N 2.8Å; V280-M282 VanDerWaalsContact C-N 3.33Å; V280-M282 PolarHBondContact O-N 3.37Å; M282-E285 PolarHBondContact O-N 3.26Å; M282-L286 HydrophobicContact CG-CD1 3.95Å; M282-L286 HydrophobicContact CG-CG 4.4Å; M282-L286 WeakPolarHBondContact O-CB 3.15Å; M282-L286 WeakPolarHBondContact O-CD1 3.04Å; M282-L286 WeakPolarHBondContact O-CG 3.46Å; M282-L286 PolarHBondContact O-N 3.27Å
283	C	98.5	Very high	97	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.8	-44.5	177.9	-69.3	0	0	0	0	111.6	A279 V280 Q281 L286 L287 L297 I315	A279-C283 WeakPolarHBondContact O-CB 3.38Å; A279-C283 PolarHBondContact O-N 2.98Å; A279-C283 PolarHBondContact O-SG 3.1Å; V280-C283 PolarHBondContact O-N 3.35Å; Q281-C283 PolarHBondContact O-N 3.31Å; C283-L286 PolarHBondContact O-N 2.95Å; C283-L287 WeakPolarHBondContact O-CB 3.36Å; C283-L287 VanDerWaalsContact O-CG 3.26Å; C283-L287 WeakPolarHBondContact O-CG 3.25Å; C283-L287 PolarHBondContact O-N 3.31Å; C283-L297 HydrophobicContact CB-CD1 3.77Å; C283-L297 HydrophobicContact CB-CD2 4.43Å; C283-I315 HydrophobicContact CB-CD1 4.02Å; C283-I315 HydrophobicContact CB-CG2 4.08Å
284	Q	98.2	Very high	97	Very high	106 Å²	106	48.7 Å²	48.7	50%	0.495	26%	0.264	S	S	.	.	H	α-helix	trans	-62.8	-43.5	177.2	-71.8	172.8	-21.5	0	0	111.9	V280 Q281 L287 G288 I315	V280-Q284 WeakPolarHBondContact O-CG 3.26Å; V280-Q284 PolarHBondContact O-N 3.31Å; Q281-Q284 PolarHBondContact O-N 2.92Å; Q284-L287 PolarHBondContact O-N 2.99Å; Q284-G288 PolarHBondContact O-N 3.05Å; Q284-I315 HydrophobicContact CG-CG2 4.14Å
285	E	98.3	Very high	96.9	Very high	71 Å²	71	48 Å²	48	33%	0.332	26%	0.261	S	S	.	.	H	α-helix	trans	-61.2	-45.6	175.3	-72.3	173.1	-171.2	0	0	111.8	S210 Q281 M282 G288 H289	S210-E285 VanDerWaalsContact CB-OE2 3.27Å; S210-E285 WeakPolarHBondContact CB-OE2 3.29Å; S210-E285 PolarHBondContact OG-OE2 3.07Å; Q281-E285 PolarHBondContact NE2-OE1 2.83Å; Q281-E285 WeakPolarHBondContact O-CG 3.4Å; Q281-E285 PolarHBondContact O-N 3.03Å; M282-E285 PolarHBondContact O-N 3.26Å; E285-G288 PolarHBondContact O-N 2.79Å; E285-H289 PolarHBondContact O-N 2.81Å; E285-H289 VanDerWaalsContact O-N 3.14Å
286	L	98.6	Very high	96.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.5	-44.3	178.9	-72.7	168.4	0	0	0	112.2	F207 Y213 F214 P231 I233 M282 C283 A294 L297	F207-L286 HydrophobicContact CE2-CD1 4.3Å; F207-L286 HydrophobicContact CE2-CD2 4.31Å; F207-L286 HydrophobicContact CZ-CD1 3.98Å; F207-L286 HydrophobicContact CZ-CD2 4.09Å; Y213-L286 HydrophobicContact CD1-CD2 3.31Å; Y213-L286 HydrophobicContact CE1-CD2 3.98Å; Y213-L286 HydrophobicContact CG-CD2 3.63Å; F214-L286 HydrophobicContact CE1-CD2 4.05Å; F214-L286 HydrophobicContact CZ-CD2 4.2Å; P231-L286 HydrophobicContact CB-CD1 4.04Å; P231-L286 HydrophobicContact CB-CD2 4.48Å; P231-L286 HydrophobicContact CG-CD1 4.13Å; I233-L286 HydrophobicContact CD1-CD1 3.54Å; M282-L286 HydrophobicContact CG-CD1 3.95Å; M282-L286 HydrophobicContact CG-CG 4.4Å; M282-L286 WeakPolarHBondContact O-CB 3.15Å; M282-L286 WeakPolarHBondContact O-CD1 3.04Å; M282-L286 WeakPolarHBondContact O-CG 3.46Å; M282-L286 PolarHBondContact O-N 3.27Å; C283-L286 PolarHBondContact O-N 2.95Å; L286-A294 HydrophobicContact CB-CB 3.93Å; L286-A294 PolarHBondContact O-N 3.09Å; L286-L297 HydrophobicContact CB-CD2 4.35Å; L286-L297 HydrophobicContact CD1-CD2 4.03Å
287	L	97.7	Very high	96.9	Very high	30 Å²	30	47.6 Å²	47.6	16%	0.157	26%	0.259	C	S	.	.	H	α-helix	trans	-78.9	-23.1	-178.6	-65	-179.1	0	0	0	113.7	V36 C283 Q284 R293 A294 L297 M317	V36-L287 HydrophobicContact CB-CD2 4.43Å; V36-L287 HydrophobicContact CG1-CD1 4.06Å; V36-L287 HydrophobicContact CG1-CD2 3.37Å; V36-L287 HydrophobicContact CG1-CG 4.35Å; V36-L287 HydrophobicContact CG2-CD2 4.14Å; C283-L287 WeakPolarHBondContact O-CB 3.36Å; C283-L287 VanDerWaalsContact O-CG 3.26Å; C283-L287 WeakPolarHBondContact O-CG 3.25Å; C283-L287 PolarHBondContact O-N 3.31Å; Q284-L287 PolarHBondContact O-N 2.99Å; L287-R293 WeakPolarHBondContact O-CD 3.41Å; L287-R293 WeakPolarHBondContact O-CG 3.26Å; L287-R293 PolarHBondContact O-NE 3.43Å; L287-A294 HydrophobicContact CD2-CB 4.48Å; L287-L297 HydrophobicContact CD1-CD1 3.87Å; L287-L297 HydrophobicContact CD1-CG 4.46Å; L287-L297 HydrophobicContact CD2-CD2 4.39Å; L287-L297 HydrophobicContact CD2-CG 4.21Å; L287-L297 HydrophobicContact CG-CD1 4.25Å; L287-L297 HydrophobicContact CG-CD2 4.46Å; L287-L297 HydrophobicContact CG-CG 4.41Å; L287-M317 HydrophobicContact CD1-SD 3.94Å
288	G	96.5	Very high	96.9	Very high	62 Å²	62	42.7 Å²	42.7	64%	0.639	24%	0.236	S	C	*	.	H	α-helix	trans	-96.2	-8.4	-177.3	0	0	0	0	0	115.3	Q284 E285 S290	Q284-G288 PolarHBondContact O-N 3.05Å; E285-G288 PolarHBondContact O-N 2.79Å; G288-S290 PolarHBondContact O-N 3.4Å
289	H	95.4	Very high	96.9	Very high	55 Å²	55	41.3 Å²	41.3	26%	0.255	23%	0.229	S	C	.	.			trans	-66.9	129	-177.8	-170.5	-61.1	0	0	0	111.9	F214 E285 S291 Y292 R293	F214-H289 HydrophobicContact CD1-CB 4.26Å; F214-H289 AromaticContact CD1-CD2 3.79Å; F214-H289 AromaticContact CD1-CG 3.97Å; F214-H289 AromaticContact CD2-CD2 3.42Å; F214-H289 VanDerWaalsContact CD2-CD2 3.42Å; F214-H289 WeakPolarHBondContact CD2-CD2 3.31Å; F214-H289 AromaticContact CD2-NE2 3.95Å; F214-H289 HydrophobicContact CE1-CB 3.49Å; F214-H289 VanDerWaalsContact CE1-CB 3.49Å; F214-H289 AromaticContact CE1-CD2 3.7Å; F214-H289 AromaticContact CE1-CG 3.67Å; F214-H289 HydrophobicContact CE2-CB 4.26Å; F214-H289 AromaticContact CE2-CD2 3.33Å; F214-H289 WeakPolarHBondContact CE2-CD2 3.44Å; F214-H289 AromaticContact CG-CD2 3.68Å; F214-H289 HydrophobicContact CZ-CB 3.5Å; F214-H289 AromaticContact CZ-CD2 3.48Å; F214-H289 VanDerWaalsContact CZ-CD2 3.48Å; F214-H289 WeakPolarHBondContact CZ-CD2 3.15Å; F214-H289 AromaticContact CZ-CG 3.74Å; E285-H289 PolarHBondContact O-N 2.81Å; E285-H289 VanDerWaalsContact O-N 3.14Å; H289-S291 PolarHBondContact ND1-N 2.71Å; H289-Y292 AromaticContact CE1-CD2 3.69Å; H289-Y292 PolarHBondContact ND1-N 3.09Å; H289-R293 VanDerWaalsContact O-CA 3.31Å; H289-R293 WeakPolarHBondContact O-CA 3.35Å; H289-R293 WeakPolarHBondContact O-CB 3.12Å; H289-R293 PolarHBondContact O-N 2.65Å
290	S	91.9	Very high	96.9	Very high	114 Å²	114	42.1 Å²	42.1	80%	0.797	23%	0.231	S	C	*	.	S	Bend	trans	-66.5	-45.7	-174	55.7	0	0	0	0	114.9	G288	G288-S290 PolarHBondContact O-N 3.4Å
291	S	91.4	Very high	96.8	Very high	89 Å²	89	41.9 Å²	41.9	62%	0.622	23%	0.229	S	C	*	.	S	Bend	trans	-95.3	-31.2	-175.1	-46.9	0	0	0	0	115.6	H289	H289-S291 PolarHBondContact ND1-N 2.71Å
292	Y	93.2	Very high	96.6	Very high	74 Å²	74	40.6 Å²	40.6	29%	0.29	23%	0.225	S	C	.	.	S	Bend	trans	-123.9	38.5	-175.8	-57.7	-62.1	0	0	0	111.3	F214 V217 K218 H289 A294	F214-Y292 HydrophobicContact CB-CD2 4.17Å; F214-Y292 WeakPolarHBondContact CD1-O 3.36Å; F214-Y292 WeakPolarHBondContact CE1-O 3.09Å; V217-Y292 HydrophobicContact CB-CD1 4.39Å; V217-Y292 HydrophobicContact CG1-CD1 3.76Å; V217-Y292 HydrophobicContact CG1-CG 4.44Å; K218-Y292 HydrophobicContact CB-CE1 4Å; K218-Y292 HydrophobicContact CB-CE2 4.3Å; K218-Y292 HydrophobicContact CG-CE1 4.49Å; K218-Y292 WeakPolarHBondContact CG-OH 3.22Å; H289-Y292 AromaticContact CE1-CD2 3.69Å; H289-Y292 PolarHBondContact ND1-N 3.09Å; Y292-A294 PolarHBondContact O-N 3.22Å
293	R	95.6	Very high	96.5	Very high	114 Å²	114	40 Å²	40	43%	0.43	22%	0.222	S	C	.	.			trans	-50	126.2	176.8	-170.9	173	177.1	-118.9	12.1	110.5	G34 L287 H289	G34-R293 PolarHBondContact O-NH1 2.89Å; G34-R293 PolarHBondContact O-NH2 2.84Å; L287-R293 WeakPolarHBondContact O-CD 3.41Å; L287-R293 WeakPolarHBondContact O-CG 3.26Å; L287-R293 PolarHBondContact O-NE 3.43Å; H289-R293 VanDerWaalsContact O-CA 3.31Å; H289-R293 WeakPolarHBondContact O-CA 3.35Å; H289-R293 WeakPolarHBondContact O-CB 3.12Å; H289-R293 PolarHBondContact O-N 2.65Å
294	A	97.8	Very high	96.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.24	C	C	.	.			trans	-66.3	131.5	171.4	0	0	0	0	0	109.8	Y213 P231 L286 L287 Y292 S296	Y213-A294 HydrophobicContact CE1-CB 3.96Å; P231-A294 HydrophobicContact CG-CB 3.75Å; L286-A294 HydrophobicContact CB-CB 3.93Å; L286-A294 PolarHBondContact O-N 3.09Å; L287-A294 HydrophobicContact CD2-CB 4.48Å; Y292-A294 PolarHBondContact O-N 3.22Å; A294-S296 PolarHBondContact O-N 3.02Å
295	P	96	Very high	96.1	Very high	20 Å²	20	39.5 Å²	39.5	13%	0.13	22%	0.22	C	C	.	.	S	Bend	trans	-72.5	-20.2	178.5	28.9	-34.5	0	0	0	113	I31 I229	I31-P295 HydrophobicContact CD1-CB 3.57Å; I31-P295 HydrophobicContact CD1-CG 4.2Å; I31-P295 HydrophobicContact CG1-CB 3.55Å; I229-P295 WeakPolarHBondContact O-CD 3.16Å
296	S	96.9	Very high	96	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	176	-170.7	177.8	0	0	0	0	110.4	F37 P231 A294	F37-S296 WeakPolarHBondContact CD2-OG 3.5Å; F37-S296 WeakPolarHBondContact CE2-OG 3.26Å; F37-S296 VanDerWaalsContact CZ-CB 3.43Å; F37-S296 WeakPolarHBondContact O-CA 3.43Å; F37-S296 VanDerWaalsContact O-CB 3.26Å; F37-S296 WeakPolarHBondContact O-CB 3.49Å; F37-S296 PolarHBondContact O-OG 3.37Å; P231-S296 WeakPolarHBondContact CD-O 3.3Å; P231-S296 WeakPolarHBondContact CG-O 3.13Å; A294-S296 PolarHBondContact O-N 3.02Å
297	L	98.5	Very high	95.9	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	129.1	170.5	-59.1	170.3	0	0	0	109.3	F37 F38 S39 P231 I233 C283 L286 L287 F299 I315 M317	F37-L297 PolarHBondContact O-N 2.85Å; F38-L297 CarbonylContact C-O 3.45Å; F38-L297 WeakPolarHBondContact CA-O 3.48Å; F38-L297 WeakPolarHBondContact CB-O 3.42Å; S39-L297 PolarHBondContact N-O 3.4Å; P231-L297 HydrophobicContact CG-CD2 4.03Å; I233-L297 HydrophobicContact CD1-CD2 4.38Å; I233-L297 HydrophobicContact CG1-CD2 4.21Å; C283-L297 HydrophobicContact CB-CD1 3.77Å; C283-L297 HydrophobicContact CB-CD2 4.43Å; L286-L297 HydrophobicContact CB-CD2 4.35Å; L286-L297 HydrophobicContact CD1-CD2 4.03Å; L287-L297 HydrophobicContact CD1-CD1 3.87Å; L287-L297 HydrophobicContact CD1-CG 4.46Å; L287-L297 HydrophobicContact CD2-CD2 4.39Å; L287-L297 HydrophobicContact CD2-CG 4.21Å; L287-L297 HydrophobicContact CG-CD1 4.25Å; L287-L297 HydrophobicContact CG-CD2 4.46Å; L287-L297 HydrophobicContact CG-CG 4.41Å; L297-F299 HydrophobicContact CB-CD2 4.39Å; L297-F299 HydrophobicContact CB-CE2 3.67Å; L297-F299 HydrophobicContact CB-CZ 4.08Å; L297-F299 HydrophobicContact CD1-CE2 4.31Å; L297-F299 HydrophobicContact CD1-CZ 4.09Å; L297-I315 HydrophobicContact CD1-CD1 3.57Å; L297-M317 HydrophobicContact CD1-SD 4.06Å
298	H	98.7	Very high	95.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	120.6	173.5	176.3	66.7	0	0	0	109.6	S39 E41 D70 I203 I230 P231 G232 I233 Y300	S39-H298 WeakPolarHBondContact OG-CA 3.44Å; S39-H298 WeakPolarHBondContact OG-CB 3.35Å; S39-H298 PolarHBondContact OG-ND1 3.03Å; E41-H298 WeakPolarHBondContact CB-NE2 3.5Å; E41-H298 PolarHBondContact N-CE1 3.27Å; D70-H298 IonicContact OD2-CE1 3.29Å; D70-H298 PolarHBondContact OD2-CE1 3.38Å; D70-H298 IonicContact OD2-ND1 2.91Å; D70-H298 IonicContact OD2-NE2 2.95Å; I203-H298 HydrophobicContact CG2-CB 4.18Å; I230-H298 HydrophobicContact CG2-CB 3.61Å; P231-H298 PolarHBondContact O-N 2.85Å; G232-H298 CarbonylContact C-O 3.55Å; G232-H298 WeakPolarHBondContact CA-O 3.47Å; I233-H298 PolarHBondContact N-O 3.08Å; H298-Y300 AromaticContact CD2-CE1 3.73Å; H298-Y300 AromaticContact CD2-CZ 3.84Å; H298-Y300 AromaticContact NE2-CD1 3.82Å; H298-Y300 AromaticContact NE2-CE1 3.56Å
299	F	98.6	Very high	95.9	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	121.1	-176.1	-67.6	-91.3	0	0	0	112.4	F38 S39 L40 E41 I233 P235 L297 T301 T308 I311 L312	F38-F299 HydrophobicContact CB-CD2 4.43Å; F38-F299 HydrophobicContact CB-CE2 4.17Å; S39-F299 PolarHBondContact O-N 2.8Å; L40-F299 HydrophobicContact CD2-CB 3.92Å; L40-F299 HydrophobicContact CD2-CD2 4.24Å; L40-F299 HydrophobicContact CD2-CG 4.43Å; E41-F299 PolarHBondContact N-O 3Å; I233-F299 HydrophobicContact CB-CD1 3.97Å; I233-F299 HydrophobicContact CB-CE1 4.09Å; I233-F299 HydrophobicContact CG2-CD1 4.08Å; I233-F299 HydrophobicContact CG2-CE1 3.93Å; I233-F299 WeakPolarHBondContact O-CA 3.45Å; P235-F299 HydrophobicContact CG-CD1 4.23Å; L297-F299 HydrophobicContact CB-CD2 4.39Å; L297-F299 HydrophobicContact CB-CE2 3.67Å; L297-F299 HydrophobicContact CB-CZ 4.08Å; L297-F299 HydrophobicContact CD1-CE2 4.31Å; L297-F299 HydrophobicContact CD1-CZ 4.09Å; F299-T301 HydrophobicContact CB-CG2 4.45Å; F299-T301 PolarHBondContact O-N 3.23Å; F299-T301 VanDerWaalsContact O-N 3.09Å; F299-T308 HydrophobicContact CB-CG2 3.89Å; F299-T308 HydrophobicContact CD1-CG2 4.03Å; F299-T308 HydrophobicContact CD2-CG2 4.3Å; F299-T308 HydrophobicContact CG-CG2 3.81Å; F299-I311 HydrophobicContact CE1-CB 4.45Å; F299-I311 HydrophobicContact CE1-CD1 4.47Å; F299-I311 HydrophobicContact CE1-CG2 3.83Å; F299-I311 HydrophobicContact CZ-CG2 4.05Å; F299-L312 HydrophobicContact CE2-CD2 3.73Å; F299-L312 HydrophobicContact CE2-CG 4.32Å; F299-L312 HydrophobicContact CZ-CD2 4.13Å; F299-L312 HydrophobicContact CZ-CG 4.49Å
300	Y	97.8	Very high	96	Very high	23 Å²	23	39 Å²	39	9%	0.09	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	91.2	165.9	-60.2	-64.3	0	0	0	109.4	E41 T204 F206 I233 M234 H298 L302	E41-Y300 HydrophobicContact CB-CD1 4.08Å; E41-Y300 HydrophobicContact CG-CD1 4.31Å; E41-Y300 WeakPolarHBondContact OE2-CE1 3.33Å; T204-Y300 PolarHBondContact O-OH 3.23Å; F206-Y300 HydrophobicContact CB-CD2 4.01Å; F206-Y300 HydrophobicContact CB-CE2 3.97Å; I233-Y300 PolarHBondContact O-N 2.96Å; M234-Y300 HydrophobicContact CB-CD2 4.2Å; H298-Y300 AromaticContact CD2-CE1 3.73Å; H298-Y300 AromaticContact CD2-CZ 3.84Å; H298-Y300 AromaticContact NE2-CD1 3.82Å; H298-Y300 AromaticContact NE2-CE1 3.56Å; Y300-L302 VanDerWaalsContact C-N 3.31Å; Y300-L302 PolarHBondContact O-N 3.31Å
301	T	96.8	Very high	96.4	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.025	16%	0.162	C	C	.	.			trans	-73.8	-23.1	-170.3	71.9	0	0	0	0	113.4	L40 E41 F42 F299 N303 Q304	L40-T301 HydrophobicContact CB-CG2 4.04Å; L40-T301 HydrophobicContact CD2-CG2 4.07Å; E41-T301 WeakPolarHBondContact O-CB 3.29Å; E41-T301 WeakPolarHBondContact O-CG2 3.47Å; E41-T301 PolarHBondContact O-N 2.94Å; E41-T301 PolarHBondContact O-OG1 3.48Å; F42-T301 VanDerWaalsContact CD1-OG1 3.3Å; F42-T301 WeakPolarHBondContact CD1-OG1 3.18Å; F42-T301 HydrophobicContact CE1-CG2 4.06Å; F42-T301 WeakPolarHBondContact CE1-OG1 3.28Å; F42-T301 HydrophobicContact CZ-CG2 4.04Å; F299-T301 HydrophobicContact CB-CG2 4.45Å; F299-T301 PolarHBondContact O-N 3.23Å; F299-T301 VanDerWaalsContact O-N 3.09Å; T301-N303 PolarHBondContact O-N 3.34Å; T301-N303 VanDerWaalsContact O-N 3.17Å; T301-N303 PolarHBondContact OG1-N 3.16Å; T301-Q304 WeakPolarHBondContact O-CB 3.29Å; T301-Q304 PolarHBondContact O-N 3.1Å
302	L	94.1	Very high	96.7	Very high	65 Å²	65	29.3 Å²	29.3	34%	0.34	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	34.2	-167.5	-58.3	175.4	0	0	0	112.2	M234 Y300 Q304	M234-L302 HydrophobicContact SD-CD1 4.36Å; Y300-L302 VanDerWaalsContact C-N 3.31Å; Y300-L302 PolarHBondContact O-N 3.31Å; L302-Q304 PolarHBondContact O-N 2.94Å
303	N	95.6	Very high	96.8	Very high	13 Å²	13	30.7 Å²	30.7	7%	0.07	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	18	-172.1	-65.7	-15.3	0	0	0	114.7	F42 F43 L54 K57 T301	F42-N303 WeakPolarHBondContact CA-OD1 3.32Å; F42-N303 WeakPolarHBondContact CB-OD1 3.42Å; F42-N303 WeakPolarHBondContact CD1-OD1 3.45Å; F43-N303 WeakPolarHBondContact CD2-ND2 3.42Å; F43-N303 HydrophobicContact CE1-CB 4.02Å; F43-N303 WeakPolarHBondContact CE1-ND2 3.39Å; F43-N303 VanDerWaalsContact CE2-ND2 3.3Å; F43-N303 WeakPolarHBondContact CE2-ND2 3.43Å; F43-N303 HydrophobicContact CZ-CB 4.22Å; F43-N303 VanDerWaalsContact CZ-ND2 3.33Å; F43-N303 WeakPolarHBondContact CZ-ND2 3.46Å; F43-N303 PolarHBondContact N-OD1 3.11Å; F43-N303 PolarHBondContact O-ND2 3.4Å; F43-N303 PolarHBondContact O-OD1 3.39Å; L54-N303 HydrophobicContact CD1-CB 4.42Å; K57-N303 VanDerWaalsContact CD-O 3.25Å; K57-N303 WeakPolarHBondContact CD-O 3.43Å; K57-N303 PolarHBondContact NZ-O 2.94Å; T301-N303 PolarHBondContact O-N 3.34Å; T301-N303 VanDerWaalsContact O-N 3.17Å; T301-N303 PolarHBondContact OG1-N 3.16Å
304	Q	94.3	Very high	96.9	Very high	78 Å²	78	30.4 Å²	30.4	36%	0.364	14%	0.143	S	C	.	.			trans	-98	135.5	173.8	-56.8	-56.3	-18.3	0	0	111.3	T301 L302	T301-Q304 WeakPolarHBondContact O-CB 3.29Å; T301-Q304 PolarHBondContact O-N 3.1Å; L302-Q304 PolarHBondContact O-N 2.94Å
305	E	95	Very high	96.9	Very high	18 Å²	18	31.8 Å²	31.8	8%	0.084	15%	0.15	C	C	.	.			trans	-92.2	-48.7	-178.4	177.5	-174.5	152.6	0	0	112.3	K57 R60 F61 T308 R309	K57-E305 HydrophobicContact CB-CB 4.38Å; K57-E305 HydrophobicContact CD-CB 4.18Å; K57-E305 HydrophobicContact CG-CB 4.13Å; R60-E305 WeakPolarHBondContact CD-OE1 3.3Å; R60-E305 IonicContact CZ-OE1 2.98Å; R60-E305 IonicContact CZ-OE2 3.94Å; R60-E305 IonicContact NE-OE1 2.76Å; R60-E305 PolarHBondContact NE-OE1 2.86Å; R60-E305 IonicContact NE-OE2 3.7Å; R60-E305 PolarHBondContact NE-OE2 3.4Å; R60-E305 IonicContact NH2-OE2 3.45Å; R60-E305 PolarHBondContact NH2-OE2 2.84Å; F61-E305 HydrophobicContact CE2-CB 3.98Å; F61-E305 HydrophobicContact CE2-CG 3.91Å; F61-E305 HydrophobicContact CZ-CB 4.18Å; F61-E305 HydrophobicContact CZ-CG 3.92Å; E305-T308 PolarHBondContact O-N 2.79Å; E305-R309 HydrophobicContact CG-CB 4.31Å; E305-R309 VanDerWaalsContact O-CB 3.28Å; E305-R309 WeakPolarHBondContact O-CB 3.42Å; E305-R309 PolarHBondContact O-N 2.8Å
306	E	95.4	Very high	96.8	Very high	74 Å²	74	32.7 Å²	32.7	35%	0.346	16%	0.163	S	C	.	.	H	α-helix	trans	-60.6	-47.7	-163.2	-167.8	-76.9	137.3	0	0	113.4	K272 T308 R309 T310	K272-E306 WeakPolarHBondContact CD-OE2 3.49Å; K272-E306 VanDerWaalsContact CE-OE2 3.28Å; K272-E306 WeakPolarHBondContact CE-OE2 3.27Å; K272-E306 IonicContact NZ-OE1 3.85Å; K272-E306 IonicContact NZ-OE2 3.21Å; K272-E306 PolarHBondContact NZ-OE2 2.94Å; E306-T308 PolarHBondContact O-N 3.21Å; E306-R309 PolarHBondContact O-N 3.05Å; E306-T310 WeakPolarHBondContact O-CB 3.43Å; E306-T310 PolarHBondContact O-N 3.22Å; E306-T310 PolarHBondContact O-OG1 3.24Å; E306-T310 PolarHBondContact OE1-OG1 2.74Å
307	P	97.1	Very high	96.6	Very high	8 Å²	8	34 Å²	34	5%	0.052	17%	0.17	C	C	.	.	H	α-helix	trans	-58.7	-49.5	178.4	-24.8	34.9	0	0	0	112.5	P235 H237 I276 R309 T310 I311	P235-P307 HydrophobicContact CB-CB 3.77Å; H237-P307 HydrophobicContact CB-CG 3.89Å; I276-P307 HydrophobicContact CG1-CB 4.26Å; P307-R309 PolarHBondContact O-N 3.32Å; P307-T310 PolarHBondContact O-N 2.86Å; P307-I311 WeakPolarHBondContact O-CD1 3.39Å; P307-I311 VanDerWaalsContact O-CG1 3.22Å; P307-I311 WeakPolarHBondContact O-CG1 3.31Å; P307-I311 PolarHBondContact O-N 3.04Å
308	T	97.9	Very high	96.3	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	18%	0.178	C	C	.	.	H	α-helix	trans	-63.1	-43.6	-179.9	-52.9	0	0	0	0	111.7	L40 F61 F299 E305 E306 T310 I311 L312	L40-T308 HydrophobicContact CD2-CG2 3.75Å; F61-T308 HydrophobicContact CE1-CG2 4.09Å; F61-T308 HydrophobicContact CZ-CG2 4.3Å; F299-T308 HydrophobicContact CB-CG2 3.89Å; F299-T308 HydrophobicContact CD1-CG2 4.03Å; F299-T308 HydrophobicContact CD2-CG2 4.3Å; F299-T308 HydrophobicContact CG-CG2 3.81Å; E305-T308 PolarHBondContact O-N 2.79Å; E306-T308 PolarHBondContact O-N 3.21Å; T308-T310 PolarHBondContact O-N 3.1Å; T308-I311 PolarHBondContact O-N 3.15Å; T308-L312 HydrophobicContact CG2-CD1 3.95Å; T308-L312 HydrophobicContact CG2-CG 4.43Å; T308-L312 WeakPolarHBondContact O-CB 3.45Å; T308-L312 VanDerWaalsContact O-CG 3.3Å; T308-L312 WeakPolarHBondContact O-CG 3.41Å; T308-L312 PolarHBondContact O-N 3.09Å
309	R	96.8	Very high	95.5	Very high	90 Å²	90	42.6 Å²	42.6	34%	0.34	21%	0.208	S	C	.	.	H	α-helix	trans	-59.9	-45.4	176.7	176.7	175.4	-176.6	-148	-0.7	111.5	E305 E306 P307 L312 K313 W318	E305-R309 HydrophobicContact CG-CB 4.31Å; E305-R309 VanDerWaalsContact O-CB 3.28Å; E305-R309 WeakPolarHBondContact O-CB 3.42Å; E305-R309 PolarHBondContact O-N 2.8Å; E306-R309 PolarHBondContact O-N 3.05Å; P307-R309 PolarHBondContact O-N 3.32Å; R309-L312 PolarHBondContact O-N 3.16Å; R309-K313 WeakPolarHBondContact O-CG 3.47Å; R309-K313 PolarHBondContact O-N 3.13Å; R309-W318 HydrophobicContact CB-CE3 4.1Å; R309-W318 HydrophobicContact CB-CH2 4.05Å; R309-W318 HydrophobicContact CB-CZ3 3.77Å; R309-W318 HydrophobicContact CG-CD2 3.88Å; R309-W318 HydrophobicContact CG-CE3 3.82Å; R309-W318 HydrophobicContact CG-CH2 3.74Å; R309-W318 HydrophobicContact CG-CZ2 3.81Å; R309-W318 HydrophobicContact CG-CZ3 3.73Å
310	T	97.7	Very high	94.1	Very high	33 Å²	33	47.4 Å²	47.4	20%	0.202	24%	0.242	C	C	.	.	H	α-helix	trans	-67.4	-40.9	-179.6	-63.8	0	0	0	0	111.3	I276 E306 P307 T308 K313 Q314	I276-T310 HydrophobicContact CD1-CG2 4.08Å; I276-T310 HydrophobicContact CG2-CG2 3.84Å; E306-T310 WeakPolarHBondContact O-CB 3.43Å; E306-T310 PolarHBondContact O-N 3.22Å; E306-T310 PolarHBondContact O-OG1 3.24Å; E306-T310 PolarHBondContact OE1-OG1 2.74Å; P307-T310 PolarHBondContact O-N 2.86Å; T308-T310 PolarHBondContact O-N 3.1Å; T310-K313 PolarHBondContact O-N 3.03Å; T310-Q314 WeakPolarHBondContact O-CG 3.43Å; T310-Q314 PolarHBondContact O-N 2.86Å
311	I	98.4	Very high	92.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.8	-53.1	173.8	-65.7	158.3	0	0	0	110.6	P235 I276 A279 V280 F299 P307 T308 K313 Q314 I315	P235-I311 HydrophobicContact CB-CD1 3.74Å; P235-I311 HydrophobicContact CG-CD1 3.6Å; I276-I311 HydrophobicContact CB-CG1 4.47Å; I276-I311 HydrophobicContact CG1-CG1 4.43Å; I276-I311 HydrophobicContact CG2-CG1 4.08Å; A279-I311 HydrophobicContact CB-CD1 3.47Å; A279-I311 VanDerWaalsContact CB-CD1 3.47Å; A279-I311 HydrophobicContact CB-CG1 4.02Å; V280-I311 HydrophobicContact CG2-CB 4.2Å; V280-I311 HydrophobicContact CG2-CG1 4.09Å; V280-I311 HydrophobicContact CG2-CG2 4Å; F299-I311 HydrophobicContact CE1-CB 4.45Å; F299-I311 HydrophobicContact CE1-CD1 4.47Å; F299-I311 HydrophobicContact CE1-CG2 3.83Å; F299-I311 HydrophobicContact CZ-CG2 4.05Å; P307-I311 WeakPolarHBondContact O-CD1 3.39Å; P307-I311 VanDerWaalsContact O-CG1 3.22Å; P307-I311 WeakPolarHBondContact O-CG1 3.31Å; P307-I311 PolarHBondContact O-N 3.04Å; T308-I311 PolarHBondContact O-N 3.15Å; I311-K313 VanDerWaalsContact C-N 3.26Å; I311-K313 PolarHBondContact O-N 3.27Å; I311-Q314 PolarHBondContact O-N 2.93Å; I311-Q314 VanDerWaalsContact O-N 3.08Å; I311-I315 HydrophobicContact CG2-CD1 4.39Å; I311-I315 WeakPolarHBondContact O-CG1 3.48Å; I311-I315 PolarHBondContact O-N 3.34Å
312	L	97.7	Very high	90.8	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-56.8	-39.4	179.8	-73.9	169.4	0	0	0	111.9	F38 F299 T308 R309 G316 M317 W318	F38-L312 HydrophobicContact CB-CD2 4.21Å; F38-L312 HydrophobicContact CD1-CD2 3.95Å; F38-L312 HydrophobicContact CD2-CD1 3.96Å; F38-L312 HydrophobicContact CD2-CD2 3.93Å; F38-L312 HydrophobicContact CE1-CD2 4.31Å; F38-L312 HydrophobicContact CE2-CD1 3.64Å; F38-L312 HydrophobicContact CE2-CD2 4.28Å; F38-L312 HydrophobicContact CG-CD2 3.75Å; F38-L312 HydrophobicContact CZ-CD1 4Å; F38-L312 HydrophobicContact CZ-CD2 4.46Å; F299-L312 HydrophobicContact CE2-CD2 3.73Å; F299-L312 HydrophobicContact CE2-CG 4.32Å; F299-L312 HydrophobicContact CZ-CD2 4.13Å; F299-L312 HydrophobicContact CZ-CG 4.49Å; T308-L312 HydrophobicContact CG2-CD1 3.95Å; T308-L312 HydrophobicContact CG2-CG 4.43Å; T308-L312 WeakPolarHBondContact O-CB 3.45Å; T308-L312 VanDerWaalsContact O-CG 3.3Å; T308-L312 WeakPolarHBondContact O-CG 3.41Å; T308-L312 PolarHBondContact O-N 3.09Å; R309-L312 PolarHBondContact O-N 3.16Å; L312-G316 PolarHBondContact O-N 2.73Å; L312-M317 HydrophobicContact CD2-CB 3.84Å; L312-M317 CarbonylContact O-C 3.49Å; L312-M317 PolarHBondContact O-N 3.31Å; L312-W318 HydrophobicContact CB-CB 3.93Å; L312-W318 HydrophobicContact CB-CE3 3.94Å; L312-W318 HydrophobicContact CD1-CE3 3.75Å; L312-W318 HydrophobicContact CD1-CZ3 4.05Å; L312-W318 PolarHBondContact O-N 2.67Å
313	K	96.9	Very high	89.3	Confident	104 Å²	104	59 Å²	59	45%	0.452	30%	0.297	S	S	.	.	H	α-helix	trans	-63.1	-48.4	174.1	-78.4	-179.4	172.1	-169.1	0	112.4	R309 T310 I311 I315 G316 W318	R309-K313 WeakPolarHBondContact O-CG 3.47Å; R309-K313 PolarHBondContact O-N 3.13Å; T310-K313 PolarHBondContact O-N 3.03Å; I311-K313 VanDerWaalsContact C-N 3.26Å; I311-K313 PolarHBondContact O-N 3.27Å; K313-I315 VanDerWaalsContact C-N 3.28Å; K313-I315 PolarHBondContact O-N 2.97Å; K313-G316 PolarHBondContact O-N 3.03Å; K313-G316 VanDerWaalsContact O-N 3.09Å; K313-W318 HydrophobicContact CB-CB 4.21Å; K313-W318 HydrophobicContact CG-CB 3.47Å; K313-W318 VanDerWaalsContact CG-CB 3.47Å; K313-W318 HydrophobicContact CG-CD2 4.41Å; K313-W318 HydrophobicContact CG-CG 3.6Å
314	Q	97.8	Very high	88.4	Confident	107 Å²	107	59.8 Å²	59.8	50%	0.5	30%	0.304	S	S	.	.	H	α-helix	trans	-67.4	-27.9	-176.8	-71.4	-173.1	24.3	0	0	113.1	V280 T310 I311	V280-Q314 HydrophobicContact CG1-CB 4.2Å; V280-Q314 HydrophobicContact CG2-CB 3.86Å; T310-Q314 WeakPolarHBondContact O-CG 3.43Å; T310-Q314 PolarHBondContact O-N 2.86Å; I311-Q314 PolarHBondContact O-N 2.93Å; I311-Q314 VanDerWaalsContact O-N 3.08Å
315	I	96.8	Very high	87.7	Confident	29 Å²	29	58 Å²	58	15%	0.149	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	7	173.8	70.9	-179.4	0	0	0	113.5	V280 C283 Q284 L297 I311 K313 M317	V280-I315 HydrophobicContact CG1-CG2 4.02Å; V280-I315 HydrophobicContact CG2-CG2 4.47Å; C283-I315 HydrophobicContact CB-CD1 4.02Å; C283-I315 HydrophobicContact CB-CG2 4.08Å; Q284-I315 HydrophobicContact CG-CG2 4.14Å; L297-I315 HydrophobicContact CD1-CD1 3.57Å; I311-I315 HydrophobicContact CG2-CD1 4.39Å; I311-I315 WeakPolarHBondContact O-CG1 3.48Å; I311-I315 PolarHBondContact O-N 3.34Å; K313-I315 VanDerWaalsContact C-N 3.28Å; K313-I315 PolarHBondContact O-N 2.97Å; I315-M317 VanDerWaalsContact C-N 3.32Å; I315-M317 HydrophobicContact CD1-CB 4.39Å; I315-M317 HydrophobicContact CD1-CG 4.16Å; I315-M317 HydrophobicContact CD1-SD 3.62Å; I315-M317 HydrophobicContact CG1-CB 4.06Å; I315-M317 HydrophobicContact CG1-CG 3.92Å; I315-M317 HydrophobicContact CG1-SD 4.06Å; I315-M317 PolarHBondContact O-N 3.39Å
316	G	93.8	Very high	87.4	Confident	40 Å²	40	57.2 Å²	57.2	41%	0.412	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	16.3	176.2	0	0	0	0	0	115.4	L312 K313 Q319	L312-G316 PolarHBondContact O-N 2.73Å; K313-G316 PolarHBondContact O-N 3.03Å; K313-G316 VanDerWaalsContact O-N 3.09Å; G316-Q319 PolarHBondContact O-NE2 3Å
317	M	94.1	Very high	86.9	Confident	27 Å²	27	55.6 Å²	55.6	13%	0.133	29%	0.288	C	S	.	.			trans	-103.2	-0.8	-178.7	-65.5	-178.3	73.2	0	0	113.9	V36 F38 L287 L297 L312 I315 Q319	V36-M317 HydrophobicContact CB-CE 4.32Å; V36-M317 HydrophobicContact CG1-CE 3.61Å; V36-M317 HydrophobicContact CG1-SD 4.07Å; F38-M317 HydrophobicContact CB-CE 3.93Å; F38-M317 HydrophobicContact CD1-CE 4.02Å; F38-M317 HydrophobicContact CG-CE 4.44Å; L287-M317 HydrophobicContact CD1-SD 3.94Å; L297-M317 HydrophobicContact CD1-SD 4.06Å; L312-M317 HydrophobicContact CD2-CB 3.84Å; L312-M317 CarbonylContact O-C 3.49Å; L312-M317 PolarHBondContact O-N 3.31Å; I315-M317 VanDerWaalsContact C-N 3.32Å; I315-M317 HydrophobicContact CD1-CB 4.39Å; I315-M317 HydrophobicContact CD1-CG 4.16Å; I315-M317 HydrophobicContact CD1-SD 3.62Å; I315-M317 HydrophobicContact CG1-CB 4.06Å; I315-M317 HydrophobicContact CG1-CG 3.92Å; I315-M317 HydrophobicContact CG1-SD 4.06Å; I315-M317 PolarHBondContact O-N 3.39Å; M317-Q319 PolarHBondContact O-N 3.33Å
318	W	92.2	Very high	86.3	Confident	46 Å²	46	56.3 Å²	56.3	17%	0.174	29%	0.29	C	S	.	.			trans	-89.6	76.9	169.4	-170.1	-82.5	0	0	0	109.8	F61 V64 R309 L312 K313	F61-W318 AromaticContact CD1-CH2 3.9Å; F61-W318 HydrophobicContact CD1-CH2 3.9Å; F61-W318 AromaticContact CD1-CZ3 3.66Å; F61-W318 HydrophobicContact CD1-CZ3 3.66Å; F61-W318 HydrophobicContact CE1-CH2 4.12Å; F61-W318 AromaticContact CE1-CZ3 3.65Å; F61-W318 HydrophobicContact CE1-CZ3 3.65Å; V64-W318 HydrophobicContact CB-CD2 4.33Å; V64-W318 HydrophobicContact CB-CE3 4.44Å; V64-W318 HydrophobicContact CG1-CD2 3.64Å; V64-W318 HydrophobicContact CG1-CE3 4.19Å; V64-W318 HydrophobicContact CG1-CG 3.94Å; V64-W318 HydrophobicContact CG1-CH2 4.29Å; V64-W318 HydrophobicContact CG1-CZ2 3.73Å; V64-W318 HydrophobicContact CG1-CZ3 4.49Å; V64-W318 HydrophobicContact CG2-CD2 4.18Å; V64-W318 HydrophobicContact CG2-CE3 3.84Å; V64-W318 HydrophobicContact CG2-CH2 3.84Å; V64-W318 HydrophobicContact CG2-CZ2 4.15Å; V64-W318 HydrophobicContact CG2-CZ3 3.68Å; R309-W318 HydrophobicContact CB-CE3 4.1Å; R309-W318 HydrophobicContact CB-CH2 4.05Å; R309-W318 HydrophobicContact CB-CZ3 3.77Å; R309-W318 HydrophobicContact CG-CD2 3.88Å; R309-W318 HydrophobicContact CG-CE3 3.82Å; R309-W318 HydrophobicContact CG-CH2 3.74Å; R309-W318 HydrophobicContact CG-CZ2 3.81Å; R309-W318 HydrophobicContact CG-CZ3 3.73Å; L312-W318 HydrophobicContact CB-CB 3.93Å; L312-W318 HydrophobicContact CB-CE3 3.94Å; L312-W318 HydrophobicContact CD1-CE3 3.75Å; L312-W318 HydrophobicContact CD1-CZ3 4.05Å; L312-W318 PolarHBondContact O-N 2.67Å; K313-W318 HydrophobicContact CB-CB 4.21Å; K313-W318 HydrophobicContact CG-CB 3.47Å; K313-W318 VanDerWaalsContact CG-CB 3.47Å; K313-W318 HydrophobicContact CG-CD2 4.41Å; K313-W318 HydrophobicContact CG-CG 3.6Å
319	Q	80.5	Confident	85.3	Confident	135 Å²	135	59.4 Å²	59.4	63%	0.631	30%	0.303	S	S	*	.			trans	-117.7	140.6	177.1	-58.4	-175.4	22.2	0	0	108.8	V64 G316 M317	V64-Q319 VanDerWaalsContact CA-O 3.29Å; V64-Q319 WeakPolarHBondContact CA-O 3.39Å; V64-Q319 WeakPolarHBondContact CB-O 3.48Å; G316-Q319 PolarHBondContact O-NE2 3Å; M317-Q319 PolarHBondContact O-N 3.33Å
320	S	69.8	Low	84.4	Confident	101 Å²	101	57.4 Å²	57.4	71%	0.706	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-60.9	139.5	170.6	50.7	0	0	0	0	109.1
321	I	65.1	Low	83.2	Confident	79 Å²	79	55.9 Å²	55.9	41%	0.405	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-56.3	142.4	176.2	-57.3	170.5	0	0	0	109.8	A62 E63 G65 K329	A62-I321 WeakPolarHBondContact O-CD1 3.39Å; E63-I321 PolarHBondContact O-N 3.36Å; G65-I321 VanDerWaalsContact CA-CG1 3.48Å; I321-K329 HydrophobicContact CD1-CD 4.04Å
322	D	59.2	Low	81.8	Confident	154 Å²	154	58.2 Å²	58.2	82%	0.824	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-50.4	152.1	174.8	-92.5	-30.6	0	0	0	113.6	S324	D322-S324 PolarHBondContact O-N 3.31Å
323	R	63.3	Low	80.5	Confident	102 Å²	102	58.6 Å²	58.6	39%	0.385	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-50.6	131.3	-176.2	-69.5	176	170.4	157.7	-7.4	111.5	G476 T477 D482 S484	R323-G476 VanDerWaalsContact NH1-CA 3.28Å; R323-T477 PolarHBondContact NH1-O 2.98Å; R323-T477 VanDerWaalsContact NH1-O 3.07Å; R323-D482 IonicContact CZ-OD2 3.39Å; R323-D482 IonicContact NH1-OD2 2.68Å; R323-D482 IonicContact NH2-OD2 3.1Å; R323-D482 PolarHBondContact NH2-OD2 3.34Å; R323-S484 PolarHBondContact NH2-OG 3.34Å; R323-S484 VanDerWaalsContact NH2-OG 3.12Å
324	S	76.4	Confident	79.5	Confident	30 Å²	30	54.6 Å²	54.6	21%	0.21	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-86.6	146.7	172.4	175.9	0	0	0	0	110.2	D322 L326 W328 G488	D322-S324 PolarHBondContact O-N 3.31Å; S324-L326 WeakPolarHBondContact CB-O 3.16Å; S324-L326 PolarHBondContact O-N 3.38Å; S324-L326 PolarHBondContact OG-N 3.31Å; S324-L326 VanDerWaalsContact OG-N 3.11Å; S324-L326 PolarHBondContact OG-O 2.92Å; S324-L326 VanDerWaalsContact OG-O 3.11Å; S324-W328 WeakPolarHBondContact CB-O 3.26Å; S324-W328 PolarHBondContact OG-O 3.45Å; S324-G488 PolarHBondContact O-N 3.39Å
325	I	80.4	Confident	78.4	Confident	40 Å²	40	50.3 Å²	50.3	21%	0.205	28%	0.275	C	S	.	.	S	Bend	trans	-63.6	-16.9	168.7	-165.4	169.8	0	0	0	112.4	W487 F553 V559	I325-W487 VanDerWaalsContact O-CZ3 3.26Å; I325-W487 WeakPolarHBondContact O-CZ3 3.19Å; I325-F553 HydrophobicContact CD1-CD2 4.03Å; I325-F553 HydrophobicContact CG1-CD2 3.75Å; I325-F553 HydrophobicContact CG1-CE2 3.85Å; I325-F553 HydrophobicContact CG1-CG 4.49Å; I325-V559 HydrophobicContact CD1-CG2 4.2Å; I325-V559 HydrophobicContact CG1-CG2 4.19Å
326	L	87.4	Confident	77.5	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	29%	0.285	C	S	.	.	S	Bend	trans	-108.9	156.2	174.2	-69.3	166.7	0	0	0	110.3	S324 W328 V330 V559 P561	S324-L326 WeakPolarHBondContact CB-O 3.16Å; S324-L326 PolarHBondContact O-N 3.38Å; S324-L326 PolarHBondContact OG-N 3.31Å; S324-L326 VanDerWaalsContact OG-N 3.11Å; S324-L326 PolarHBondContact OG-O 2.92Å; S324-L326 VanDerWaalsContact OG-O 3.11Å; L326-W328 HydrophobicContact CB-CD2 4.28Å; L326-W328 HydrophobicContact CB-CZ2 4.49Å; L326-W328 HydrophobicContact CD1-CZ2 4.09Å; L326-W328 HydrophobicContact CD2-CH2 4.36Å; L326-W328 HydrophobicContact CD2-CZ2 4.12Å; L326-W328 HydrophobicContact CG-CZ2 4.47Å; L326-W328 PolarHBondContact O-N 2.89Å; L326-V330 HydrophobicContact CD1-CG2 3.85Å; L326-V559 HydrophobicContact CD2-CG1 3.51Å; L326-P561 HydrophobicContact CD2-CB 4.02Å
327	P	85.8	Confident	77.1	Confident	40 Å²	40	50.4 Å²	50.4	26%	0.26	27%	0.266	S	S	.	.	S	Bend	trans	-60.9	-10.6	174	-21.1	31.4	0	0	0	114.7	W487 P561 Y562	P327-W487 HydrophobicContact CB-CD2 4.36Å; P327-W487 HydrophobicContact CB-CG 4.13Å; P327-W487 HydrophobicContact CG-CD2 3.71Å; P327-W487 HydrophobicContact CG-CE3 4.09Å; P327-W487 HydrophobicContact CG-CG 4.01Å; P327-W487 HydrophobicContact CG-CZ2 4.2Å; P327-W487 HydrophobicContact CG-CZ3 4.46Å; P327-P561 VanDerWaalsContact CD-CB 3.44Å; P327-P561 HydrophobicContact CG-CB 3.74Å; P327-P561 HydrophobicContact CG-CG 3.59Å; P327-Y562 HydrophobicContact CB-CE2 3.69Å; P327-Y562 HydrophobicContact CG-CD2 4.23Å; P327-Y562 HydrophobicContact CG-CE2 3.6Å
328	W	83.8	Confident	76.5	Confident	22 Å²	22	51 Å²	51	8%	0.083	27%	0.266	C	S	.	.	S	Bend	trans	-123.4	159.1	176.3	57	87	0	0	0	111.3	S324 L326 V330 E340 R343 P561 Y562	S324-W328 WeakPolarHBondContact CB-O 3.26Å; S324-W328 PolarHBondContact OG-O 3.45Å; L326-W328 HydrophobicContact CB-CD2 4.28Å; L326-W328 HydrophobicContact CB-CZ2 4.49Å; L326-W328 HydrophobicContact CD1-CZ2 4.09Å; L326-W328 HydrophobicContact CD2-CH2 4.36Å; L326-W328 HydrophobicContact CD2-CZ2 4.12Å; L326-W328 HydrophobicContact CG-CZ2 4.47Å; L326-W328 PolarHBondContact O-N 2.89Å; W328-V330 PolarHBondContact O-N 2.78Å; W328-E340 HydrophobicContact CZ2-CG 4.42Å; W328-E340 PolarHBondContact NE1-OE2 3.12Å; W328-R343 VanDerWaalsContact CD1-NH2 3.33Å; W328-R343 HydrophobicContact CH2-CB 4.05Å; W328-R343 HydrophobicContact CH2-CG 3.71Å; W328-R343 HydrophobicContact CZ2-CG 3.85Å; W328-R343 HydrophobicContact CZ3-CB 4.19Å; W328-R343 HydrophobicContact CZ3-CG 4.08Å; W328-P561 HydrophobicContact CH2-CB 3.66Å; W328-P561 VanDerWaalsContact CH2-O 3.3Å; W328-P561 WeakPolarHBondContact CH2-O 3.36Å; W328-P561 HydrophobicContact CZ3-CB 3.69Å; W328-Y562 HydrophobicContact CE3-CE1 4.18Å; W328-Y562 AromaticContact CE3-CZ 3.93Å; W328-Y562 HydrophobicContact CZ3-CD1 4.23Å; W328-Y562 AromaticContact CZ3-CE1 3.69Å; W328-Y562 HydrophobicContact CZ3-CE1 3.69Å; W328-Y562 HydrophobicContact CZ3-CE2 4.33Å; W328-Y562 AromaticContact CZ3-CZ 3.74Å
329	K	77.7	Confident	76	Confident	66 Å²	66	50.4 Å²	50.4	29%	0.287	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-64.3	130	170.8	-174.1	178.5	-178.5	-177	0	109.8	A62 L99 I321	A62-K329 PolarHBondContact O-NZ 2.86Å; L99-K329 HydrophobicContact CD1-CB 4.33Å; L99-K329 WeakPolarHBondContact CD1-O 3.38Å; I321-K329 HydrophobicContact CD1-CD 4.04Å
330	V	78.1	Confident	76.3	Confident	48 Å²	48	44.2 Å²	44.2	29%	0.291	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-78	137.6	173.6	-178.7	0	0	0	0	109.2	L326 W328 P332 R338	L326-V330 HydrophobicContact CD1-CG2 3.85Å; W328-V330 PolarHBondContact O-N 2.78Å; V330-P332 WeakPolarHBondContact O-CD 3.29Å; V330-R338 HydrophobicContact CG1-CB 4.46Å; V330-R338 HydrophobicContact CG1-CG 4.09Å
331	N	72.9	Confident	77.2	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.011	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-59.7	119.5	175.1	-167.3	-52	0	0	0	109.5	R95 L99 T333 Q334 R337 R338	R95-N331 PolarHBondContact O-ND2 2.76Å; L99-N331 HydrophobicContact CD2-CB 3.9Å; L99-N331 WeakPolarHBondContact CD2-ND2 3.38Å; N331-T333 PolarHBondContact O-N 3.49Å; N331-T333 PolarHBondContact OD1-N 3.27Å; N331-T333 PolarHBondContact OD1-OG1 3.3Å; N331-Q334 HydrophobicContact CB-CB 4.22Å; N331-Q334 PolarHBondContact OD1-N 3.02Å; N331-R337 HydrophobicContact CB-CB 4.16Å; N331-R337 HydrophobicContact CB-CG 3.94Å; N331-R338 WeakPolarHBondContact O-CD 3.48Å; N331-R338 WeakPolarHBondContact O-CG 3.31Å
332	P	68.8	Low	78.3	Confident	48 Å²	48	41.2 Å²	41.2	31%	0.312	21%	0.208	S	C	.	.	S	Bend	trans	-68.4	-23.7	-177.2	25	-30.9	0	0	0	112.4	L20 L99 V330	L20-P332 WeakPolarHBondContact CD1-O 3.38Å; L99-P332 WeakPolarHBondContact O-CD 3.4Å; V330-P332 WeakPolarHBondContact O-CD 3.29Å
333	T	70	Confident	79.9	Confident	9 Å²	9	34.5 Å²	34.5	6%	0.055	17%	0.172	C	C	.	.	S	Bend	trans	-123.9	-16.2	-165.9	65.3	0	0	0	0	116.4	L20 D101 N331 A335	L20-T333 HydrophobicContact CD2-CG2 4.04Å; D101-T333 HydrophobicContact CB-CG2 3.7Å; D101-T333 WeakPolarHBondContact OD1-CG2 3.41Å; N331-T333 PolarHBondContact O-N 3.49Å; N331-T333 PolarHBondContact OD1-N 3.27Å; N331-T333 PolarHBondContact OD1-OG1 3.3Å; T333-A335 PolarHBondContact O-N 2.95Å
334	Q	75.2	Confident	81.4	Confident	20 Å²	20	29.9 Å²	29.9	9%	0.093	16%	0.155	C	C	.	.			trans	-92.6	101.6	-179.9	-172.9	-177.9	6.5	0	0	111	N331 I336 R337 R338	N331-Q334 HydrophobicContact CB-CB 4.22Å; N331-Q334 PolarHBondContact OD1-N 3.02Å; Q334-I336 VanDerWaalsContact C-N 3.35Å; Q334-I336 PolarHBondContact O-N 3.16Å; Q334-R337 HydrophobicContact CB-CB 4.04Å; Q334-R337 HydrophobicContact CG-CB 3.91Å; Q334-R337 PolarHBondContact O-N 2.79Å; Q334-R337 VanDerWaalsContact O-N 3.1Å; Q334-R338 WeakPolarHBondContact O-CG 3.25Å; Q334-R338 PolarHBondContact O-N 3.19Å
335	A	74.6	Confident	82.3	Confident	17 Å²	17	28.5 Å²	28.5	14%	0.14	15%	0.145	C	C	.	.	H	α-helix	trans	-47.9	-50	-177.4	0	0	0	0	0	114.1	E8 V17 T333 R338 S339	E8-A335 WeakPolarHBondContact OE2-CB 3.22Å; V17-A335 HydrophobicContact CG1-CB 4.44Å; T333-A335 PolarHBondContact O-N 2.95Å; A335-R338 WeakPolarHBondContact O-CB 3.37Å; A335-R338 PolarHBondContact O-N 3.03Å; A335-S339 PolarHBondContact O-N 3.03Å
336	I	79.2	Confident	83.1	Confident	68 Å²	68	26.9 Å²	26.9	35%	0.349	14%	0.136	S	C	.	.	H	α-helix	trans	-66.1	-44.7	-179	-53.5	165.1	0	0	0	110.9	Q334 R338 S339 W361 I362 Y364	Q334-I336 VanDerWaalsContact C-N 3.35Å; Q334-I336 PolarHBondContact O-N 3.16Å; I336-R338 PolarHBondContact O-N 3.2Å; I336-S339 PolarHBondContact O-N 3.4Å; I336-S339 PolarHBondContact O-OG 3.3Å; I336-W361 WeakPolarHBondContact CG2-O 3.45Å; I336-I362 VanDerWaalsContact CG2-O 3.23Å; I336-I362 WeakPolarHBondContact CG2-O 3.22Å; I336-Y364 HydrophobicContact CG2-CD2 4.21Å; I336-Y364 HydrophobicContact CG2-CE2 3.75Å; I336-Y364 VanDerWaalsContact O-CD2 3.25Å; I336-Y364 WeakPolarHBondContact O-CD2 3.28Å; I336-Y364 VanDerWaalsContact O-CE2 3.31Å; I336-Y364 WeakPolarHBondContact O-CE2 3.37Å
337	R	84.4	Confident	83.5	Confident	3 Å²	3	27 Å²	27	1%	0.011	14%	0.137	C	C	.	.	H	α-helix	trans	-67.4	-26.5	177.3	-174.5	61.1	62.5	161.9	6.4	112.3	N331 Q334 S339 E340 T358 Y364	N331-R337 HydrophobicContact CB-CB 4.16Å; N331-R337 HydrophobicContact CB-CG 3.94Å; Q334-R337 HydrophobicContact CB-CB 4.04Å; Q334-R337 HydrophobicContact CG-CB 3.91Å; Q334-R337 PolarHBondContact O-N 2.79Å; Q334-R337 VanDerWaalsContact O-N 3.1Å; R337-S339 PolarHBondContact O-N 3.32Å; R337-E340 WeakPolarHBondContact CD-OE2 3.42Å; R337-E340 IonicContact CZ-OE1 3.72Å; R337-E340 IonicContact NH1-OE1 2.83Å; R337-E340 PolarHBondContact NH1-OE1 3.38Å; R337-E340 IonicContact NH1-OE2 3.51Å; R337-E340 WeakPolarHBondContact O-CB 3.23Å; R337-E340 PolarHBondContact O-N 3.16Å; R337-E340 VanDerWaalsContact O-N 3.08Å; R337-T358 PolarHBondContact NH1-OG1 3.21Å; R337-T358 PolarHBondContact NH2-O 3.47Å; R337-T358 VanDerWaalsContact NH2-O 3.13Å; R337-T358 PolarHBondContact NH2-OG1 3.45Å; R337-Y364 HydrophobicContact CB-CE2 4.35Å; R337-Y364 PolarHBondContact NE-OH 3.15Å; R337-Y364 PolarHBondContact NH2-OH 2.67Å
338	R	82.3	Confident	83.8	Confident	39 Å²	39	28.2 Å²	28.2	15%	0.147	14%	0.138	C	C	.	.	H	α-helix	trans	-64.6	-19.5	171.8	-74.9	-173	-58.8	154.3	7.3	113.2	V17 E18 V330 N331 Q334 A335 I336 R341	V17-R338 HydrophobicContact CG1-CB 4.15Å; E18-R338 PolarHBondContact O-NH1 2.89Å; E18-R338 PolarHBondContact O-NH2 3.49Å; V330-R338 HydrophobicContact CG1-CB 4.46Å; V330-R338 HydrophobicContact CG1-CG 4.09Å; N331-R338 WeakPolarHBondContact O-CD 3.48Å; N331-R338 WeakPolarHBondContact O-CG 3.31Å; Q334-R338 WeakPolarHBondContact O-CG 3.25Å; Q334-R338 PolarHBondContact O-N 3.19Å; A335-R338 WeakPolarHBondContact O-CB 3.37Å; A335-R338 PolarHBondContact O-N 3.03Å; I336-R338 PolarHBondContact O-N 3.2Å; R338-R341 PolarHBondContact O-NH1 3.26Å; R338-R341 PolarHBondContact O-NH2 3.33Å; R338-R341 VanDerWaalsContact O-NH2 3.15Å
339	S	81.9	Confident	84.2	Confident	34 Å²	34	29.6 Å²	29.6	24%	0.238	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-9.8	172.9	73.2	0	0	0	0	113.2	A335 I336 R337 R341	A335-S339 PolarHBondContact O-N 3.03Å; I336-S339 PolarHBondContact O-N 3.4Å; I336-S339 PolarHBondContact O-OG 3.3Å; R337-S339 PolarHBondContact O-N 3.32Å; S339-R341 PolarHBondContact O-N 3.02Å
340	E	86.9	Confident	85	Confident	4 Å²	4	26.6 Å²	26.6	2%	0.019	13%	0.134	C	C	.	.			trans	-62	122.3	176.4	-176.3	-170.8	-136.2	0	0	111.1	W328 R337 R343 Y354 Y364	W328-E340 HydrophobicContact CZ2-CG 4.42Å; W328-E340 PolarHBondContact NE1-OE2 3.12Å; R337-E340 WeakPolarHBondContact CD-OE2 3.42Å; R337-E340 IonicContact CZ-OE1 3.72Å; R337-E340 IonicContact NH1-OE1 2.83Å; R337-E340 PolarHBondContact NH1-OE1 3.38Å; R337-E340 IonicContact NH1-OE2 3.51Å; R337-E340 WeakPolarHBondContact O-CB 3.23Å; R337-E340 PolarHBondContact O-N 3.16Å; R337-E340 VanDerWaalsContact O-N 3.08Å; E340-R343 VanDerWaalsContact CD-NE 3.32Å; E340-R343 IonicContact OE1-CZ 3.82Å; E340-R343 IonicContact OE1-NE 2.79Å; E340-R343 PolarHBondContact OE1-NE 3.25Å; E340-R343 IonicContact OE1-NH2 2.73Å; E340-R343 IonicContact OE2-CZ 2.75Å; E340-R343 IonicContact OE2-NE 2.8Å; E340-R343 PolarHBondContact OE2-NE 2.99Å; E340-R343 IonicContact OE2-NH2 3.49Å; E340-R343 PolarHBondContact OE2-NH2 3.37Å; E340-Y354 WeakPolarHBondContact OE1-CE1 3.37Å; E340-Y364 HydrophobicContact CB-CD1 4.16Å; E340-Y364 HydrophobicContact CB-CD2 3.82Å; E340-Y364 HydrophobicContact CB-CE2 4.45Å; E340-Y364 HydrophobicContact CB-CG 3.69Å; E340-Y364 HydrophobicContact CG-CD1 4Å; E340-Y364 HydrophobicContact CG-CG 3.97Å
341	R	87	Confident	85.6	Confident	114 Å²	114	26.3 Å²	26.3	43%	0.43	13%	0.133	S	C	.	.			trans	-119.4	-18.8	176.1	-64.1	-66.5	172.7	-85.1	-3.6	113.3	R338 S339 P561	R338-R341 PolarHBondContact O-NH1 3.26Å; R338-R341 PolarHBondContact O-NH2 3.33Å; R338-R341 VanDerWaalsContact O-NH2 3.15Å; S339-R341 PolarHBondContact O-N 3.02Å; R341-P561 WeakPolarHBondContact O-CA 3.41Å
342	V	90	Very high	86.4	Confident	3 Å²	3	26.9 Å²	26.9	2%	0.018	14%	0.135	C	C	.	.			trans	-134.5	136.7	-169.7	-174.4	0	0	0	0	110.5	A367 Q560 P561 V563	V342-A367 HydrophobicContact CG2-CB 4.2Å; V342-Q560 WeakPolarHBondContact CG2-O 3.34Å; V342-P561 WeakPolarHBondContact CA-O 2.91Å; V342-V563 HydrophobicContact CG1-CB 4.31Å; V342-V563 HydrophobicContact CG1-CG1 3.63Å; V342-V563 HydrophobicContact CG1-CG2 3.73Å
343	R	92.8	Very high	87.6	Confident	14 Å²	14	24.6 Å²	24.6	5%	0.053	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	144.7	171.1	-67.4	-175.6	178.7	166.7	7	110.4	W328 E340 I345 Y354 P561 Y562 V563	W328-R343 VanDerWaalsContact CD1-NH2 3.33Å; W328-R343 HydrophobicContact CH2-CB 4.05Å; W328-R343 HydrophobicContact CH2-CG 3.71Å; W328-R343 HydrophobicContact CZ2-CG 3.85Å; W328-R343 HydrophobicContact CZ3-CB 4.19Å; W328-R343 HydrophobicContact CZ3-CG 4.08Å; E340-R343 VanDerWaalsContact CD-NE 3.32Å; E340-R343 IonicContact OE1-CZ 3.82Å; E340-R343 IonicContact OE1-NE 2.79Å; E340-R343 PolarHBondContact OE1-NE 3.25Å; E340-R343 IonicContact OE1-NH2 2.73Å; E340-R343 IonicContact OE2-CZ 2.75Å; E340-R343 IonicContact OE2-NE 2.8Å; E340-R343 PolarHBondContact OE2-NE 2.99Å; E340-R343 IonicContact OE2-NH2 3.49Å; E340-R343 PolarHBondContact OE2-NH2 3.37Å; R343-I345 PolarHBondContact O-N 2.98Å; R343-Y354 HydrophobicContact CB-CE1 4.45Å; R343-Y354 HydrophobicContact CG-CD1 4.2Å; R343-Y354 HydrophobicContact CG-CE1 3.66Å; R343-P561 PolarHBondContact N-O 2.79Å; R343-Y562 HydrophobicContact CB-CD1 4.3Å; R343-Y562 HydrophobicContact CB-CE1 4.24Å; R343-Y562 WeakPolarHBondContact O-CA 3.14Å; R343-V563 PolarHBondContact O-N 2.88Å
344	P	94.4	Very high	88.7	Confident	5 Å²	5	24.3 Å²	24.3	3%	0.032	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	132.4	167	-17.6	30.8	0	0	0	110.1	Y346 W347 Y354 V563 A568	P344-Y346 HydrophobicContact CB-CD2 3.65Å; P344-Y346 HydrophobicContact CB-CE2 4.08Å; P344-Y346 PolarHBondContact O-N 2.92Å; P344-Y346 VanDerWaalsContact O-N 3.1Å; P344-W347 HydrophobicContact CB-CE3 3.97Å; P344-W347 HydrophobicContact CB-CZ3 4Å; P344-W347 HydrophobicContact CG-CE3 4.22Å; P344-W347 HydrophobicContact CG-CZ3 4.08Å; P344-W347 PolarHBondContact O-N 3.18Å; P344-Y354 HydrophobicContact CG-CE2 4.22Å; P344-V563 CarbonylContact C-O 3.52Å; P344-V563 VanDerWaalsContact CA-O 3.31Å; P344-V563 WeakPolarHBondContact CA-O 3.41Å; P344-A568 HydrophobicContact CB-CB 3.87Å; P344-A568 HydrophobicContact CG-CB 3.69Å
345	I	95.5	Very high	89.4	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-61.1	-22.3	-176.1	-168.2	163.9	0	0	0	113.3	R343 W347 K348 N465 Q467 Y499 V548 Y562 V563 T564	R343-I345 PolarHBondContact O-N 2.98Å; I345-W347 PolarHBondContact O-N 3.48Å; I345-K348 HydrophobicContact CG1-CB 4.31Å; I345-K348 HydrophobicContact CG1-CD 4.25Å; I345-K348 WeakPolarHBondContact O-CB 2.87Å; I345-K348 PolarHBondContact O-N 3.35Å; I345-N465 PolarHBondContact O-ND2 2.8Å; I345-Q467 VanDerWaalsContact CD1-NE2 3.3Å; I345-Y499 HydrophobicContact CD1-CD1 3.67Å; I345-Y499 HydrophobicContact CD1-CE1 4.03Å; I345-Y499 HydrophobicContact CD1-CG 4.05Å; I345-Y499 HydrophobicContact CG1-CD1 4.21Å; I345-Y499 HydrophobicContact CG1-CE1 4.07Å; I345-Y499 HydrophobicContact CG2-CD1 4.46Å; I345-Y499 HydrophobicContact CG2-CD2 4.47Å; I345-Y499 HydrophobicContact CG2-CE1 3.91Å; I345-Y499 HydrophobicContact CG2-CE2 3.91Å; I345-V548 HydrophobicContact CB-CG2 4.09Å; I345-V548 HydrophobicContact CD1-CG2 3.61Å; I345-V548 HydrophobicContact CG1-CG2 4.43Å; I345-V548 HydrophobicContact CG2-CG2 4.26Å; I345-Y562 HydrophobicContact CB-CD1 4.49Å; I345-V563 PolarHBondContact N-O 3.42Å; I345-T564 HydrophobicContact CG2-CG2 3.64Å
346	Y	96.6	Very high	90.2	Very high	6 Å²	6	23.9 Å²	23.9	2%	0.024	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-55.4	-36.5	-179.8	-44.2	-55.9	0	0	0	113.2	P344 Y499 T564 H565 A568 F569 W572	P344-Y346 HydrophobicContact CB-CD2 3.65Å; P344-Y346 HydrophobicContact CB-CE2 4.08Å; P344-Y346 PolarHBondContact O-N 2.92Å; P344-Y346 VanDerWaalsContact O-N 3.1Å; Y346-Y499 VanDerWaalsContact CD1-OH 3.23Å; Y346-Y499 WeakPolarHBondContact CD1-OH 3.49Å; Y346-Y499 WeakPolarHBondContact CE1-OH 3.47Å; Y346-T564 HydrophobicContact CE1-CG2 4.1Å; Y346-T564 WeakPolarHBondContact OH-CA 3.42Å; Y346-T564 VanDerWaalsContact OH-CB 3.22Å; Y346-T564 WeakPolarHBondContact OH-CB 3.46Å; Y346-H565 PolarHBondContact OH-N 3.21Å; Y346-H565 VanDerWaalsContact OH-N 3.12Å; Y346-A568 HydrophobicContact CD2-CB 4.29Å; Y346-A568 HydrophobicContact CE2-CB 4.1Å; Y346-F569 AromaticContact CD1-CD2 3.5Å; Y346-F569 HydrophobicContact CD1-CD2 3.5Å; Y346-F569 AromaticContact CD1-CE2 3.93Å; Y346-F569 HydrophobicContact CD1-CE2 3.93Å; Y346-F569 HydrophobicContact CD2-CB 4.39Å; Y346-F569 HydrophobicContact CD2-CD2 4.24Å; Y346-F569 HydrophobicContact CE1-CB 4.27Å; Y346-F569 AromaticContact CE1-CD2 3.25Å; Y346-F569 HydrophobicContact CE1-CD2 3.25Å; Y346-F569 AromaticContact CE1-CE2 3.8Å; Y346-F569 HydrophobicContact CE1-CE2 3.8Å; Y346-F569 AromaticContact CE1-CG 3.98Å; Y346-F569 HydrophobicContact CE1-CG 3.98Å; Y346-F569 HydrophobicContact CE2-CB 3.69Å; Y346-F569 HydrophobicContact CE2-CD2 4.04Å; Y346-F569 HydrophobicContact CE2-CG 4.29Å; Y346-F569 HydrophobicContact CG-CD2 4Å; Y346-F569 AromaticContact CZ-CD2 3.54Å; Y346-F569 AromaticContact CZ-CG 3.83Å; Y346-W572 HydrophobicContact CD2-CB 4.47Å; Y346-W572 HydrophobicContact CG-CB 4.43Å; Y346-W572 HydrophobicContact CG-CG 4.25Å
347	W	95.4	Very high	90.7	Very high	6 Å²	6	21.7 Å²	21.7	2%	0.023	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-93.2	14.4	176.6	-72.1	-88.1	0	0	0	113.8	P344 I345 N349 R350 Y354 L377 A568 W572 E575	P344-W347 HydrophobicContact CB-CE3 3.97Å; P344-W347 HydrophobicContact CB-CZ3 4Å; P344-W347 HydrophobicContact CG-CE3 4.22Å; P344-W347 HydrophobicContact CG-CZ3 4.08Å; P344-W347 PolarHBondContact O-N 3.18Å; I345-W347 PolarHBondContact O-N 3.48Å; W347-N349 PolarHBondContact O-N 3.31Å; W347-R350 CarbonylContact O-C 3.58Å; W347-R350 WeakPolarHBondContact O-CA 3.42Å; W347-R350 PolarHBondContact O-N 3.22Å; W347-Y354 HydrophobicContact CB-CD2 4.2Å; W347-Y354 HydrophobicContact CB-CG 4.19Å; W347-Y354 AromaticContact CD2-CD2 3.92Å; W347-Y354 HydrophobicContact CD2-CD2 3.92Å; W347-Y354 AromaticContact CE3-CD2 3.89Å; W347-Y354 HydrophobicContact CE3-CD2 3.89Å; W347-Y354 HydrophobicContact CE3-CE2 4.47Å; W347-Y354 HydrophobicContact CG-CD2 4.08Å; W347-Y354 HydrophobicContact CG-CG 4.33Å; W347-L377 HydrophobicContact CH2-CD1 3.27Å; W347-L377 HydrophobicContact CZ2-CD1 3.49Å; W347-L377 VanDerWaalsContact CZ2-CD1 3.49Å; W347-L377 HydrophobicContact CZ3-CD1 4.13Å; W347-A568 WeakPolarHBondContact CH2-O 3.36Å; W347-A568 HydrophobicContact CZ3-CB 4.28Å; W347-W572 AromaticContact CD1-CE3 3.88Å; W347-W572 AromaticContact CD1-CZ3 3.88Å; W347-W572 HydrophobicContact CD2-CE3 4.08Å; W347-W572 AromaticContact CE2-CE3 3.54Å; W347-W572 HydrophobicContact CG-CE3 4.28Å; W347-W572 HydrophobicContact CH2-CB 3.55Å; W347-W572 HydrophobicContact CZ2-CB 3.78Å; W347-W572 AromaticContact CZ2-CE3 3.93Å; W347-W572 HydrophobicContact CZ2-CE3 3.93Å; W347-W572 HydrophobicContact CZ3-CB 4.01Å; W347-W572 AromaticContact NE1-CE3 3.4Å; W347-W572 AromaticContact NE1-CZ3 3.71Å; W347-E575 PolarHBondContact NE1-OE2 3.23Å
348	K	93.3	Very high	91	Very high	64 Å²	64	21.5 Å²	21.5	28%	0.278	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-41	178.9	178.1	-176.9	172.7	-169.5	0	112	I345 W466 Y562	I345-K348 HydrophobicContact CG1-CB 4.31Å; I345-K348 HydrophobicContact CG1-CD 4.25Å; I345-K348 WeakPolarHBondContact O-CB 2.87Å; I345-K348 PolarHBondContact O-N 3.35Å; K348-W466 PolarHBondContact NZ-O 2.94Å; K348-Y562 HydrophobicContact CB-CE1 4.4Å; K348-Y562 HydrophobicContact CG-CE1 4.5Å
349	N	92.3	Very high	91.1	Very high	51 Å²	51	23 Å²	23	27%	0.273	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-2.6	178.3	-62.4	-23	0	0	0	113.3	W347 P351 W435 S436 E437 I464 N465	W347-N349 PolarHBondContact O-N 3.31Å; N349-P351 VanDerWaalsContact C-CD 3.48Å; N349-W435 VanDerWaalsContact CB-O 3.28Å; N349-W435 WeakPolarHBondContact CB-O 3.11Å; N349-S436 WeakPolarHBondContact O-CA 3.42Å; N349-E437 PolarHBondContact O-N 3.22Å; N349-I464 PolarHBondContact ND2-O 3.44Å; N349-N465 PolarHBondContact ND2-OD1 3.09Å
350	R	93.3	Very high	91.2	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.015	13%	0.125	C	C	.	.			trans	-135.1	56.5	-178.8	-59.7	178.8	62.2	90.2	-1	112.8	W347 K352 A353 Y354 P434 W435 E437 W572 E575	W347-R350 CarbonylContact O-C 3.58Å; W347-R350 WeakPolarHBondContact O-CA 3.42Å; W347-R350 PolarHBondContact O-N 3.22Å; R350-K352 VanDerWaalsContact C-N 3.34Å; R350-K352 PolarHBondContact O-N 2.73Å; R350-A353 HydrophobicContact CB-CB 4.3Å; R350-A353 PolarHBondContact O-N 3.42Å; R350-Y354 PolarHBondContact O-N 3.07Å; R350-P434 PolarHBondContact NH1-O 3.04Å; R350-W435 VanDerWaalsContact CG-O 3.31Å; R350-W435 WeakPolarHBondContact CG-O 3.17Å; R350-E437 VanDerWaalsContact C-OE2 3.27Å; R350-E437 WeakPolarHBondContact CA-OE1 3.36Å; R350-E437 HydrophobicContact CB-CG 3.98Å; R350-E437 WeakPolarHBondContact CB-OE1 3.26Å; R350-E437 HydrophobicContact CG-CG 4.03Å; R350-W572 VanDerWaalsContact CD-CH2 3.47Å; R350-E575 IonicContact CZ-OE1 3.56Å; R350-E575 VanDerWaalsContact CZ-OE1 3.29Å; R350-E575 IonicContact NE-OE1 3.24Å; R350-E575 PolarHBondContact NE-OE1 3.27Å; R350-E575 IonicContact NH2-OE1 2.71Å; R350-E575 PolarHBondContact NH2-OE1 2.9Å
351	P	90.8	Very high	91.1	Very high	42 Å²	42	28.6 Å²	28.6	27%	0.273	13%	0.129	S	C	.	.	H	α-helix	trans	-64.4	-32.8	-174	26.5	-35.7	0	0	0	113.7	N349 Y354 I355 E437	N349-P351 VanDerWaalsContact C-CD 3.48Å; P351-Y354 PolarHBondContact O-N 2.65Å; P351-I355 WeakPolarHBondContact O-CB 3.28Å; P351-I355 WeakPolarHBondContact O-CD1 3.12Å; P351-I355 WeakPolarHBondContact O-CG1 3.48Å; P351-I355 PolarHBondContact O-N 3.12Å; P351-E437 VanDerWaalsContact CD-OE2 3.29Å; P351-E437 WeakPolarHBondContact CD-OE2 3.25Å
352	K	90.6	Very high	90.8	Very high	13 Å²	13	28 Å²	28	6%	0.057	13%	0.133	C	C	.	.	H	α-helix	trans	-70.7	-40	-179.4	-62.7	175.5	-65.8	-160.9	0	111.4	E59 F98 R350 Y354 I355 F356 Y383 E437	E59-K352 IonicContact OE1-NZ 3.86Å; E59-K352 PolarHBondContact OE1-NZ 3.23Å; E59-K352 IonicContact OE2-NZ 3.7Å; F98-K352 HydrophobicContact CE1-CD 4.48Å; R350-K352 VanDerWaalsContact C-N 3.34Å; R350-K352 PolarHBondContact O-N 2.73Å; K352-Y354 VanDerWaalsContact C-N 3.33Å; K352-I355 PolarHBondContact O-N 3.4Å; K352-F356 VanDerWaalsContact O-CB 3.26Å; K352-F356 WeakPolarHBondContact O-CB 3.2Å; K352-F356 PolarHBondContact O-N 2.89Å; K352-Y383 HydrophobicContact CB-CE2 4.04Å; K352-E437 WeakPolarHBondContact CA-OE2 3.5Å; K352-E437 WeakPolarHBondContact CB-OE2 3.43Å; K352-E437 WeakPolarHBondContact CE-OE2 3.43Å; K352-E437 WeakPolarHBondContact CG-OE2 3.43Å; K352-E437 PolarHBondContact N-OE1 2.97Å; K352-E437 PolarHBondContact N-OE2 2.97Å
353	A	92.5	Very high	90.3	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.6	-46.8	174	0	0	0	0	0	109.6	R350 I355 F356 R357 L380 Y383 E437 E575	R350-A353 HydrophobicContact CB-CB 4.3Å; R350-A353 PolarHBondContact O-N 3.42Å; A353-I355 PolarHBondContact O-N 3.44Å; A353-F356 WeakPolarHBondContact O-CB 3.45Å; A353-F356 PolarHBondContact O-N 3.46Å; A353-R357 WeakPolarHBondContact O-CB 3.46Å; A353-R357 VanDerWaalsContact O-CG 3.26Å; A353-R357 WeakPolarHBondContact O-CG 3.48Å; A353-R357 PolarHBondContact O-N 3.32Å; A353-L380 HydrophobicContact CB-CD2 4.18Å; A353-Y383 HydrophobicContact CB-CE1 4.21Å; A353-Y383 HydrophobicContact CB-CE2 4.18Å; A353-E437 WeakPolarHBondContact CA-OE1 3.13Å; A353-E437 WeakPolarHBondContact CB-OE1 3.34Å; A353-E437 PolarHBondContact N-OE1 3.34Å; A353-E575 VanDerWaalsContact CB-OE1 3.3Å; A353-E575 WeakPolarHBondContact CB-OE1 3.38Å
354	Y	93.1	Very high	89.9	Confident	3 Å²	3	29.8 Å²	29.8	1%	0.012	14%	0.143	C	C	.	.	H	α-helix	trans	-57.9	-49.1	174.2	178.1	-94.6	0	0	0	112.6	E340 R343 P344 W347 R350 P351 K352 F356 R357 T358	E340-Y354 WeakPolarHBondContact OE1-CE1 3.37Å; R343-Y354 HydrophobicContact CB-CE1 4.45Å; R343-Y354 HydrophobicContact CG-CD1 4.2Å; R343-Y354 HydrophobicContact CG-CE1 3.66Å; P344-Y354 HydrophobicContact CG-CE2 4.22Å; W347-Y354 HydrophobicContact CB-CD2 4.2Å; W347-Y354 HydrophobicContact CB-CG 4.19Å; W347-Y354 AromaticContact CD2-CD2 3.92Å; W347-Y354 HydrophobicContact CD2-CD2 3.92Å; W347-Y354 AromaticContact CE3-CD2 3.89Å; W347-Y354 HydrophobicContact CE3-CD2 3.89Å; W347-Y354 HydrophobicContact CE3-CE2 4.47Å; W347-Y354 HydrophobicContact CG-CD2 4.08Å; W347-Y354 HydrophobicContact CG-CG 4.33Å; R350-Y354 PolarHBondContact O-N 3.07Å; P351-Y354 PolarHBondContact O-N 2.65Å; K352-Y354 VanDerWaalsContact C-N 3.33Å; Y354-F356 VanDerWaalsContact C-N 3.28Å; Y354-F356 PolarHBondContact O-N 3.19Å; Y354-R357 PolarHBondContact O-N 3Å; Y354-T358 HydrophobicContact CD2-CG2 4.26Å; Y354-T358 HydrophobicContact CE1-CG2 4.08Å; Y354-T358 HydrophobicContact CE2-CG2 3.81Å; Y354-T358 WeakPolarHBondContact O-CB 3.39Å; Y354-T358 WeakPolarHBondContact O-CG2 3.43Å; Y354-T358 PolarHBondContact O-N 2.93Å; Y354-T358 PolarHBondContact O-OG1 3.48Å
355	I	90.7	Very high	89.1	Confident	9 Å²	9	30.7 Å²	30.7	5%	0.046	15%	0.148	C	C	.	.	H	α-helix	trans	-60.5	-41.1	177.8	-68	162.9	0	0	0	110.6	N96 L97 P351 K352 A353 T358 K359	N96-I355 WeakPolarHBondContact O-CG2 3.27Å; L97-I355 HydrophobicContact CD2-CB 4.21Å; L97-I355 HydrophobicContact CD2-CG2 3.88Å; P351-I355 WeakPolarHBondContact O-CB 3.28Å; P351-I355 WeakPolarHBondContact O-CD1 3.12Å; P351-I355 WeakPolarHBondContact O-CG1 3.48Å; P351-I355 PolarHBondContact O-N 3.12Å; K352-I355 PolarHBondContact O-N 3.4Å; A353-I355 PolarHBondContact O-N 3.44Å; I355-T358 CarbonylContact O-C 3.49Å; I355-T358 PolarHBondContact O-N 2.97Å; I355-T358 PolarHBondContact O-OG1 3.34Å; I355-K359 PolarHBondContact O-N 2.86Å
356	F	91	Very high	88.1	Confident	19 Å²	19	35 Å²	35	8%	0.083	17%	0.171	C	C	.	.	H	α-helix	trans	-62.5	-46.7	178.3	-169.5	-90	0	0	0	111.8	L97 K352 A353 Y354 T358 K359 L380 D381 Y383 F386	L97-F356 HydrophobicContact CD1-CD2 4.27Å; L97-F356 HydrophobicContact CD2-CB 4.01Å; L97-F356 HydrophobicContact CD2-CD2 4.22Å; K352-F356 VanDerWaalsContact O-CB 3.26Å; K352-F356 WeakPolarHBondContact O-CB 3.2Å; K352-F356 PolarHBondContact O-N 2.89Å; A353-F356 WeakPolarHBondContact O-CB 3.45Å; A353-F356 PolarHBondContact O-N 3.46Å; Y354-F356 VanDerWaalsContact C-N 3.28Å; Y354-F356 PolarHBondContact O-N 3.19Å; F356-T358 VanDerWaalsContact C-N 3.25Å; F356-T358 PolarHBondContact O-N 3.39Å; F356-K359 VanDerWaalsContact CE1-NZ 3.3Å; F356-K359 WeakPolarHBondContact O-CB 3.16Å; F356-K359 WeakPolarHBondContact O-CD 3.45Å; F356-K359 WeakPolarHBondContact O-CG 3.33Å; F356-K359 PolarHBondContact O-N 3.32Å; F356-L380 HydrophobicContact CD1-CD2 4.06Å; F356-D381 WeakPolarHBondContact CE1-O 3.26Å; F356-D381 WeakPolarHBondContact CZ-O 3.01Å; F356-Y383 HydrophobicContact CB-CD2 3.93Å; F356-Y383 HydrophobicContact CB-CE2 4.39Å; F356-Y383 HydrophobicContact CD1-CD2 4.39Å; F356-Y383 HydrophobicContact CD2-CD2 4.13Å; F356-Y383 AromaticContact CG-CD2 3.9Å; F356-Y383 HydrophobicContact CG-CD2 3.9Å; F356-F386 HydrophobicContact CD2-CD2 4.34Å; F356-F386 HydrophobicContact CD2-CE2 4.16Å; F356-F386 HydrophobicContact CE2-CD2 4.37Å; F356-F386 AromaticContact CE2-CE2 3.87Å; F356-F386 HydrophobicContact CE2-CE2 3.87Å
357	R	90.9	Very high	86.6	Confident	22 Å²	22	35.5 Å²	35.5	8%	0.083	18%	0.177	C	C	.	.	H	α-helix	trans	-66.5	-28	178.4	-68.8	-174.6	172.1	-84.7	12.1	113.5	A353 Y354 L377 S378 L380 E575	A353-R357 WeakPolarHBondContact O-CB 3.46Å; A353-R357 VanDerWaalsContact O-CG 3.26Å; A353-R357 WeakPolarHBondContact O-CG 3.48Å; A353-R357 PolarHBondContact O-N 3.32Å; Y354-R357 PolarHBondContact O-N 3Å; R357-L377 HydrophobicContact CB-CB 4.02Å; R357-L377 HydrophobicContact CB-CD2 3.7Å; R357-L377 HydrophobicContact CB-CG 4.33Å; R357-S378 VanDerWaalsContact CG-O 3.28Å; R357-S378 WeakPolarHBondContact CG-O 3.29Å; R357-S378 PolarHBondContact NH1-O 3.37Å; R357-S378 PolarHBondContact O-N 3.06Å; R357-S378 PolarHBondContact O-OG 3.42Å; R357-L380 HydrophobicContact CG-CD2 3.74Å; R357-L380 HydrophobicContact CG-CG 4.41Å; R357-E575 IonicContact CZ-OE2 2.65Å; R357-E575 IonicContact NE-OE2 3.4Å; R357-E575 PolarHBondContact NE-OE2 2.95Å; R357-E575 IonicContact NH2-OE2 2.76Å; R357-E575 PolarHBondContact NH2-OE2 3.49Å; R357-E575 VanDerWaalsContact NH2-OE2 3.12Å
358	T	90.1	Very high	85.2	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	11.7	-179.1	57.2	0	0	0	0	112.9	R337 Y354 I355 F356 H360 W361 Y364 L377	R337-T358 PolarHBondContact NH1-OG1 3.21Å; R337-T358 PolarHBondContact NH2-O 3.47Å; R337-T358 VanDerWaalsContact NH2-O 3.13Å; R337-T358 PolarHBondContact NH2-OG1 3.45Å; Y354-T358 HydrophobicContact CD2-CG2 4.26Å; Y354-T358 HydrophobicContact CE1-CG2 4.08Å; Y354-T358 HydrophobicContact CE2-CG2 3.81Å; Y354-T358 WeakPolarHBondContact O-CB 3.39Å; Y354-T358 WeakPolarHBondContact O-CG2 3.43Å; Y354-T358 PolarHBondContact O-N 2.93Å; Y354-T358 PolarHBondContact O-OG1 3.48Å; I355-T358 CarbonylContact O-C 3.49Å; I355-T358 PolarHBondContact O-N 2.97Å; I355-T358 PolarHBondContact O-OG1 3.34Å; F356-T358 VanDerWaalsContact C-N 3.25Å; F356-T358 PolarHBondContact O-N 3.39Å; T358-H360 PolarHBondContact O-N 3.32Å; T358-H360 VanDerWaalsContact O-N 3.16Å; T358-W361 HydrophobicContact CG2-CD2 3.66Å; T358-W361 VanDerWaalsContact CG2-CE2 3.47Å; T358-W361 HydrophobicContact CG2-CE3 3.91Å; T358-W361 HydrophobicContact CG2-CG 4.35Å; T358-W361 HydrophobicContact CG2-CH2 3.88Å; T358-W361 HydrophobicContact CG2-CZ2 3.63Å; T358-W361 HydrophobicContact CG2-CZ3 4Å; T358-W361 WeakPolarHBondContact O-CB 3.11Å; T358-W361 PolarHBondContact O-N 2.93Å; T358-W361 VanDerWaalsContact O-N 3.09Å; T358-Y364 PolarHBondContact O-OH 2.77Å; T358-L377 HydrophobicContact CG2-CD2 3.34Å
359	K	84.2	Confident	83.9	Confident	69 Å²	69	36.4 Å²	36.4	30%	0.3	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-26.9	-174.4	70.1	-168.8	167.2	-166.4	0	114.4	I355 F356	I355-K359 PolarHBondContact O-N 2.86Å; F356-K359 VanDerWaalsContact CE1-NZ 3.3Å; F356-K359 WeakPolarHBondContact O-CB 3.16Å; F356-K359 WeakPolarHBondContact O-CD 3.45Å; F356-K359 WeakPolarHBondContact O-CG 3.33Å; F356-K359 PolarHBondContact O-N 3.32Å
360	H	83.2	Confident	82.2	Confident	132 Å²	132	40.8 Å²	40.8	61%	0.611	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-1.9	-179.7	-63.1	-59.8	0	0	0	113.8	T358 I362	T358-H360 PolarHBondContact O-N 3.32Å; T358-H360 VanDerWaalsContact O-N 3.16Å; H360-I362 PolarHBondContact O-N 3.43Å
361	W	85.1	Confident	80.3	Confident	25 Å²	25	48.5 Å²	48.5	10%	0.095	24%	0.239	C	C	.	.			trans	-67.7	130.2	-177.7	-69.2	16.3	0	0	0	110.3	I336 T358 Y364 P365 I375 L377	I336-W361 WeakPolarHBondContact CG2-O 3.45Å; T358-W361 HydrophobicContact CG2-CD2 3.66Å; T358-W361 VanDerWaalsContact CG2-CE2 3.47Å; T358-W361 HydrophobicContact CG2-CE3 3.91Å; T358-W361 HydrophobicContact CG2-CG 4.35Å; T358-W361 HydrophobicContact CG2-CH2 3.88Å; T358-W361 HydrophobicContact CG2-CZ2 3.63Å; T358-W361 HydrophobicContact CG2-CZ3 4Å; T358-W361 WeakPolarHBondContact O-CB 3.11Å; T358-W361 PolarHBondContact O-N 2.93Å; T358-W361 VanDerWaalsContact O-N 3.09Å; W361-Y364 HydrophobicContact CB-CE1 3.97Å; W361-Y364 HydrophobicContact CD2-CE1 4.28Å; W361-Y364 AromaticContact CE3-CD1 3.67Å; W361-Y364 HydrophobicContact CE3-CD1 3.67Å; W361-Y364 AromaticContact CE3-CE1 3.72Å; W361-Y364 HydrophobicContact CE3-CE1 3.72Å; W361-Y364 HydrophobicContact CG-CE1 4.44Å; W361-Y364 HydrophobicContact CZ3-CD1 4.28Å; W361-P365 HydrophobicContact CZ3-CG 4.43Å; W361-I375 HydrophobicContact CD2-CG2 3.48Å; W361-I375 VanDerWaalsContact CD2-CG2 3.48Å; W361-I375 HydrophobicContact CE3-CG2 4.16Å; W361-I375 HydrophobicContact CG-CG2 3.78Å; W361-I375 HydrophobicContact CH2-CB 4.47Å; W361-I375 HydrophobicContact CH2-CG2 4.08Å; W361-I375 HydrophobicContact CZ2-CB 4.06Å; W361-I375 HydrophobicContact CZ2-CG2 3.37Å; W361-I375 HydrophobicContact CZ3-CG2 4.44Å; W361-L377 HydrophobicContact CH2-CD2 4.24Å; W361-L377 HydrophobicContact CZ2-CD2 3.52Å; W361-L377 HydrophobicContact CZ2-CG 4.25Å
362	I	80.8	Confident	78.6	Confident	102 Å²	102	51.1 Å²	51.1	52%	0.523	24%	0.244	S	C	.	.	S	Bend	trans	-94.3	-9.4	177.8	61.2	169.4	0	0	0	113.2	I336 H360	I336-I362 VanDerWaalsContact CG2-O 3.23Å; I336-I362 WeakPolarHBondContact CG2-O 3.22Å; H360-I362 PolarHBondContact O-N 3.43Å
363	L	80.4	Confident	76.5	Confident	43 Å²	43	54.3 Å²	54.3	23%	0.225	27%	0.267	C	S	.	.	S	Bend	trans	-149.7	143.4	176	-177	63.3	0	0	0	108.3	D12	D12-L363 VanDerWaalsContact OD2-CD1 3.25Å; D12-L363 WeakPolarHBondContact OD2-CD1 3.42Å; D12-L363 VanDerWaalsContact OD2-CD2 3.26Å; D12-L363 WeakPolarHBondContact OD2-CD2 3.49Å
364	Y	83.3	Confident	74.6	Confident	11 Å²	11	59 Å²	59	4%	0.043	29%	0.293	C	S	.	.			trans	-107.3	145.5	173.3	-68.3	-79	0	0	0	109.7	I336 R337 E340 T358 W361	I336-Y364 HydrophobicContact CG2-CD2 4.21Å; I336-Y364 HydrophobicContact CG2-CE2 3.75Å; I336-Y364 VanDerWaalsContact O-CD2 3.25Å; I336-Y364 WeakPolarHBondContact O-CD2 3.28Å; I336-Y364 VanDerWaalsContact O-CE2 3.31Å; I336-Y364 WeakPolarHBondContact O-CE2 3.37Å; R337-Y364 HydrophobicContact CB-CE2 4.35Å; R337-Y364 PolarHBondContact NE-OH 3.15Å; R337-Y364 PolarHBondContact NH2-OH 2.67Å; E340-Y364 HydrophobicContact CB-CD1 4.16Å; E340-Y364 HydrophobicContact CB-CD2 3.82Å; E340-Y364 HydrophobicContact CB-CE2 4.45Å; E340-Y364 HydrophobicContact CB-CG 3.69Å; E340-Y364 HydrophobicContact CG-CD1 4Å; E340-Y364 HydrophobicContact CG-CG 3.97Å; T358-Y364 PolarHBondContact O-OH 2.77Å; W361-Y364 HydrophobicContact CB-CE1 3.97Å; W361-Y364 HydrophobicContact CD2-CE1 4.28Å; W361-Y364 AromaticContact CE3-CD1 3.67Å; W361-Y364 HydrophobicContact CE3-CD1 3.67Å; W361-Y364 AromaticContact CE3-CE1 3.72Å; W361-Y364 HydrophobicContact CE3-CE1 3.72Å; W361-Y364 HydrophobicContact CG-CE1 4.44Å; W361-Y364 HydrophobicContact CZ3-CD1 4.28Å
365	P	78	Confident	73.2	Confident	23 Å²	23	60.9 Å²	60.9	15%	0.149	30%	0.302	C	S	.	.			trans	-64.4	149.5	178.2	27.6	-34.6	0	0	0	111.1	W361 W369	W361-P365 HydrophobicContact CZ3-CG 4.43Å; P365-W369 HydrophobicContact CB-CD2 4.38Å; P365-W369 HydrophobicContact CB-CG 4.05Å
366	D	75.7	Confident	72.5	Confident	90 Å²	90	67.8 Å²	67.8	48%	0.481	33%	0.334	S	S	.	.			trans	-86.5	-173	162.5	71.9	10.6	0	0	0	110.6	S368 W369	D366-S368 VanDerWaalsContact C-N 3.29Å; D366-S368 VanDerWaalsContact CG-OG 3.25Å; D366-S368 PolarHBondContact O-N 3.47Å; D366-S368 WeakPolarHBondContact OD1-CA 3.34Å; D366-S368 WeakPolarHBondContact OD1-CB 3.26Å; D366-S368 PolarHBondContact OD1-N 2.97Å; D366-S368 PolarHBondContact OD1-OG 3.23Å; D366-S368 PolarHBondContact OD2-OG 2.96Å; D366-W369 PolarHBondContact O-N 3.16Å; D366-W369 PolarHBondContact OD1-N 3.26Å
367	A	65.1	Low	72.1	Confident	18 Å²	18	67.4 Å²	67.4	15%	0.149	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-22.3	-177.8	0	0	0	0	0	113.7	V342 V547 Q560	V342-A367 HydrophobicContact CG2-CB 4.2Å; A367-V547 HydrophobicContact CB-CG2 4.47Å; A367-Q560 HydrophobicContact CB-CB 3.65Å; A367-Q560 HydrophobicContact CB-CG 4.28Å
368	S	65	Low	71.8	Confident	50 Å²	50	68 Å²	68	35%	0.35	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-22.1	174.2	78.3	0	0	0	0	111.4	D366 L370	D366-S368 VanDerWaalsContact C-N 3.29Å; D366-S368 VanDerWaalsContact CG-OG 3.25Å; D366-S368 PolarHBondContact O-N 3.47Å; D366-S368 WeakPolarHBondContact OD1-CA 3.34Å; D366-S368 WeakPolarHBondContact OD1-CB 3.26Å; D366-S368 PolarHBondContact OD1-N 2.97Å; D366-S368 PolarHBondContact OD1-OG 3.23Å; D366-S368 PolarHBondContact OD2-OG 2.96Å; S368-L370 PolarHBondContact O-N 3.37Å; S368-L370 WeakPolarHBondContact OG-CB 3.43Å; S368-L370 VanDerWaalsContact OG-CD1 3.27Å; S368-L370 WeakPolarHBondContact OG-CD1 3.41Å; S368-L370 WeakPolarHBondContact OG-CG 3.3Å; S368-L370 PolarHBondContact OG-N 3.37Å
369	W	66	Low	71.6	Confident	39 Å²	39	73.2 Å²	73.2	15%	0.148	37%	0.369	C	S	.	.			trans	51.2	25.5	-175.9	-125.3	79.6	0	0	0	112.1	P365 D366 Y371 A545 H565	P365-W369 HydrophobicContact CB-CD2 4.38Å; P365-W369 HydrophobicContact CB-CG 4.05Å; D366-W369 PolarHBondContact O-N 3.16Å; D366-W369 PolarHBondContact OD1-N 3.26Å; W369-Y371 VanDerWaalsContact C-N 3.33Å; W369-Y371 PolarHBondContact O-N 2.66Å; W369-A545 HydrophobicContact CB-CB 3.73Å; W369-A545 HydrophobicContact CG-CB 4.11Å; W369-H565 AromaticContact CD2-CD2 3.6Å; W369-H565 AromaticContact CD2-CG 3.9Å; W369-H565 AromaticContact CD2-NE2 3.79Å; W369-H565 AromaticContact CE3-CD2 3.42Å; W369-H565 VanDerWaalsContact CE3-CD2 3.42Å; W369-H565 AromaticContact CE3-CE1 3.33Å; W369-H565 AromaticContact CE3-CG 3.87Å; W369-H565 AromaticContact CE3-ND1 3.79Å; W369-H565 AromaticContact CE3-NE2 3.08Å; W369-H565 AromaticContact CH2-CE1 3.5Å; W369-H565 AromaticContact CH2-ND1 3.45Å; W369-H565 WeakPolarHBondContact CH2-ND1 3.25Å; W369-H565 AromaticContact CZ2-ND1 3.87Å; W369-H565 AromaticContact CZ3-CD2 3.89Å; W369-H565 AromaticContact CZ3-CE1 2.98Å; W369-H565 WeakPolarHBondContact CZ3-CE1 3.34Å; W369-H565 AromaticContact CZ3-CG 3.98Å; W369-H565 AromaticContact CZ3-ND1 3.43Å; W369-H565 WeakPolarHBondContact CZ3-ND1 3.44Å; W369-H565 AromaticContact CZ3-NE2 3.29Å; W369-H565 VanDerWaalsContact CZ3-NE2 3.29Å; W369-H565 WeakPolarHBondContact CZ3-NE2 3.27Å
370	L	57.6	Low	71.7	Confident	143 Å²	143	71.5 Å²	71.5	75%	0.749	36%	0.363	S	S	*	.			trans	-61.6	94.3	-176	-77.4	168.7	0	0	0	109.7	S368	S368-L370 PolarHBondContact O-N 3.37Å; S368-L370 WeakPolarHBondContact OG-CB 3.43Å; S368-L370 VanDerWaalsContact OG-CD1 3.27Å; S368-L370 WeakPolarHBondContact OG-CD1 3.41Å; S368-L370 WeakPolarHBondContact OG-CG 3.3Å; S368-L370 PolarHBondContact OG-N 3.37Å
371	Y	52	Low	71.8	Confident	166 Å²	166	71.4 Å²	71.4	65%	0.651	37%	0.367	S	S	*	.	S	Bend	trans	44.7	97	165.9	-164.7	-100	0	0	0	118.1	W369 S373	W369-Y371 VanDerWaalsContact C-N 3.33Å; W369-Y371 PolarHBondContact O-N 2.66Å; Y371-S373 WeakPolarHBondContact CE2-OG 3.26Å; Y371-S373 PolarHBondContact OH-OG 3.47Å
372	R	54.9	Low	71.7	Confident	97 Å²	97	71.9 Å²	71.9	37%	0.366	38%	0.379	S	S	.	.			trans	-138.7	80.8	136.9	-77	-72.6	-81.7	-96	-3.9	108.5	D374 I375	R372-D374 WeakPolarHBondContact CA-OD1 3.5Å; R372-D374 VanDerWaalsContact CB-OD1 3.31Å; R372-D374 WeakPolarHBondContact CB-OD1 3.11Å; R372-D374 WeakPolarHBondContact CD-OD1 3.41Å; R372-D374 IonicContact NE-OD1 3.81Å; R372-D374 PolarHBondContact NE-OD1 3.37Å; R372-D374 VanDerWaalsContact NE-OD1 3.1Å; R372-D374 IonicContact NE-OD2 3.27Å; R372-D374 PolarHBondContact NE-OD2 3.08Å; R372-D374 IonicContact NH2-OD2 3.92Å; R372-D374 PolarHBondContact O-N 3.27Å; R372-I375 HydrophobicContact CB-CD1 3.7Å; R372-I375 HydrophobicContact CB-CG1 3.73Å; R372-I375 HydrophobicContact CG-CD1 4.26Å
373	S	46.2	Very low	72	Confident	79 Å²	79	67.4 Å²	67.4	55%	0.552	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-1.7	178.8	59.1	0	0	0	0	113.9	Y371	Y371-S373 WeakPolarHBondContact CE2-OG 3.26Å; Y371-S373 PolarHBondContact OH-OG 3.47Å
374	D	53.5	Low	72.3	Confident	99 Å²	99	69.1 Å²	69.1	53%	0.529	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-6.2	-175.8	62.9	-41.9	0	0	0	114.2	R372 Q376	R372-D374 WeakPolarHBondContact CA-OD1 3.5Å; R372-D374 VanDerWaalsContact CB-OD1 3.31Å; R372-D374 WeakPolarHBondContact CB-OD1 3.11Å; R372-D374 WeakPolarHBondContact CD-OD1 3.41Å; R372-D374 IonicContact NE-OD1 3.81Å; R372-D374 PolarHBondContact NE-OD1 3.37Å; R372-D374 VanDerWaalsContact NE-OD1 3.1Å; R372-D374 IonicContact NE-OD2 3.27Å; R372-D374 PolarHBondContact NE-OD2 3.08Å; R372-D374 IonicContact NH2-OD2 3.92Å; R372-D374 PolarHBondContact O-N 3.27Å; D374-Q376 PolarHBondContact O-N 3.17Å
375	I	64.5	Low	72.3	Confident	42 Å²	42	69.5 Å²	69.5	22%	0.215	37%	0.366	C	S	.	.			trans	-84	84.4	-176.1	-41.1	-177.2	0	0	0	110.7	W361 R372	W361-I375 HydrophobicContact CD2-CG2 3.48Å; W361-I375 VanDerWaalsContact CD2-CG2 3.48Å; W361-I375 HydrophobicContact CE3-CG2 4.16Å; W361-I375 HydrophobicContact CG-CG2 3.78Å; W361-I375 HydrophobicContact CH2-CB 4.47Å; W361-I375 HydrophobicContact CH2-CG2 4.08Å; W361-I375 HydrophobicContact CZ2-CB 4.06Å; W361-I375 HydrophobicContact CZ2-CG2 3.37Å; W361-I375 HydrophobicContact CZ3-CG2 4.44Å; R372-I375 HydrophobicContact CB-CD1 3.7Å; R372-I375 HydrophobicContact CB-CG1 3.73Å; R372-I375 HydrophobicContact CG-CD1 4.26Å
376	Q	74.3	Confident	72.8	Confident	154 Å²	154	69.2 Å²	69.2	72%	0.72	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-66.5	130.9	170.8	-168.8	171.2	3.4	0	0	110	D374	D374-Q376 PolarHBondContact O-N 3.17Å
377	L	83.4	Confident	73.2	Confident	12 Å²	12	65.5 Å²	65.5	6%	0.063	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-66.3	133.6	166.9	-72.7	174	0	0	0	109.2	W347 R357 T358 W361 Q571	W347-L377 HydrophobicContact CH2-CD1 3.27Å; W347-L377 HydrophobicContact CZ2-CD1 3.49Å; W347-L377 VanDerWaalsContact CZ2-CD1 3.49Å; W347-L377 HydrophobicContact CZ3-CD1 4.13Å; R357-L377 HydrophobicContact CB-CB 4.02Å; R357-L377 HydrophobicContact CB-CD2 3.7Å; R357-L377 HydrophobicContact CB-CG 4.33Å; T358-L377 HydrophobicContact CG2-CD2 3.34Å; W361-L377 HydrophobicContact CH2-CD2 4.24Å; W361-L377 HydrophobicContact CZ2-CD2 3.52Å; W361-L377 HydrophobicContact CZ2-CG 4.25Å; L377-Q571 HydrophobicContact CD1-CB 3.94Å; L377-Q571 VanDerWaalsContact N-OE1 3.16Å
378	S	85.5	Confident	74	Confident	35 Å²	35	64.9 Å²	64.9	25%	0.245	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-64.5	159.3	172.1	-54.6	0	0	0	0	110.9	R357	R357-S378 VanDerWaalsContact CG-O 3.28Å; R357-S378 WeakPolarHBondContact CG-O 3.29Å; R357-S378 PolarHBondContact NH1-O 3.37Å; R357-S378 PolarHBondContact O-N 3.06Å; R357-S378 PolarHBondContact O-OG 3.42Å
379	D	85.9	Confident	74.9	Confident	109 Å²	109	62.7 Å²	62.7	58%	0.583	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-68.2	169.6	171.7	-62.9	-35	0	0	0	112.1	D381	D379-D381 VanDerWaalsContact C-N 3.33Å
380	L	86.4	Confident	75.8	Confident	33 Å²	33	66.5 Å²	66.5	17%	0.173	34%	0.335	C	S	.	.			trans	-92.8	17	-179.8	-71.1	177.6	0	0	0	113.4	A353 F356 R357 G382 Y383 E575	A353-L380 HydrophobicContact CB-CD2 4.18Å; F356-L380 HydrophobicContact CD1-CD2 4.06Å; R357-L380 HydrophobicContact CG-CD2 3.74Å; R357-L380 HydrophobicContact CG-CG 4.41Å; L380-G382 PolarHBondContact O-N 3.35Å; L380-G382 VanDerWaalsContact O-N 3.17Å; L380-Y383 HydrophobicContact CD1-CD1 4.49Å; L380-Y383 HydrophobicContact CD2-CD1 4.22Å; L380-Y383 HydrophobicContact CD2-CD2 4.26Å; L380-Y383 HydrophobicContact CD2-CG 3.87Å; L380-Y383 WeakPolarHBondContact O-CA 3.28Å; L380-Y383 WeakPolarHBondContact O-CB 3.37Å; L380-Y383 PolarHBondContact O-N 3.29Å; L380-E575 HydrophobicContact CD1-CG 3.93Å
381	D	83.7	Confident	76.8	Confident	129 Å²	129	61.8 Å²	61.8	69%	0.69	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	122	177.6	-67.5	-14.2	0	0	0	111.4	F356 D379 Y383	F356-D381 WeakPolarHBondContact CE1-O 3.26Å; F356-D381 WeakPolarHBondContact CZ-O 3.01Å; D379-D381 VanDerWaalsContact C-N 3.33Å; D381-Y383 VanDerWaalsContact C-N 3.3Å
382	G	82.9	Confident	78.5	Confident	35 Å²	35	55 Å²	55	36%	0.361	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	-1.6	-176.9	0	0	0	0	0	114.3	L380 E384	L380-G382 PolarHBondContact O-N 3.35Å; L380-G382 VanDerWaalsContact O-N 3.17Å; G382-E384 WeakPolarHBondContact CA-OE2 3.22Å; G382-E384 PolarHBondContact N-OE2 3.36Å; G382-E384 PolarHBondContact O-N 2.88Å
383	Y	88.4	Confident	80.2	Confident	8 Å²	8	53.7 Å²	53.7	3%	0.031	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-67.7	-19.6	175.9	-177.4	-104.8	0	0	0	112.7	K352 A353 F356 L380 D381 L385 F386 D387 E437	K352-Y383 HydrophobicContact CB-CE2 4.04Å; A353-Y383 HydrophobicContact CB-CE1 4.21Å; A353-Y383 HydrophobicContact CB-CE2 4.18Å; F356-Y383 HydrophobicContact CB-CD2 3.93Å; F356-Y383 HydrophobicContact CB-CE2 4.39Å; F356-Y383 HydrophobicContact CD1-CD2 4.39Å; F356-Y383 HydrophobicContact CD2-CD2 4.13Å; F356-Y383 AromaticContact CG-CD2 3.9Å; F356-Y383 HydrophobicContact CG-CD2 3.9Å; L380-Y383 HydrophobicContact CD1-CD1 4.49Å; L380-Y383 HydrophobicContact CD2-CD1 4.22Å; L380-Y383 HydrophobicContact CD2-CD2 4.26Å; L380-Y383 HydrophobicContact CD2-CG 3.87Å; L380-Y383 WeakPolarHBondContact O-CA 3.28Å; L380-Y383 WeakPolarHBondContact O-CB 3.37Å; L380-Y383 PolarHBondContact O-N 3.29Å; D381-Y383 VanDerWaalsContact C-N 3.3Å; Y383-L385 PolarHBondContact O-N 3.46Å; Y383-F386 HydrophobicContact CD2-CB 4.24Å; Y383-F386 HydrophobicContact CD2-CD2 4Å; Y383-F386 HydrophobicContact CE2-CB 3.92Å; Y383-F386 HydrophobicContact CE2-CD2 4.45Å; Y383-F386 PolarHBondContact O-N 2.89Å; Y383-D387 HydrophobicContact CD1-CB 4.44Å; Y383-D387 HydrophobicContact CE1-CB 4.1Å; Y383-D387 PolarHBondContact O-N 2.98Å; Y383-E437 WeakPolarHBondContact OH-CG 3.34Å; Y383-E437 PolarHBondContact OH-OE1 2.84Å
384	E	85.4	Confident	82.5	Confident	79 Å²	79	56.4 Å²	56.4	37%	0.369	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-59.8	-17.9	-178.2	-55.4	80.7	-177.2	0	0	113.2	R52 G382 F386	R52-E384 PolarHBondContact NE-O 2.98Å; G382-E384 WeakPolarHBondContact CA-OE2 3.22Å; G382-E384 PolarHBondContact N-OE2 3.36Å; G382-E384 PolarHBondContact O-N 2.88Å; E384-F386 VanDerWaalsContact C-N 3.33Å
385	L	84.9	Confident	84.4	Confident	20 Å²	20	58.8 Å²	58.8	11%	0.105	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-74.1	-24	173.4	-66.2	173.6	0	0	0	113	E48 L51 R52 Y55 P84 Y383	E48-L385 HydrophobicContact CB-CD2 4.27Å; E48-L385 HydrophobicContact CG-CD2 4.32Å; L51-L385 HydrophobicContact CD2-CD1 4.09Å; L51-L385 HydrophobicContact CD2-CD2 4.26Å; R52-L385 HydrophobicContact CG-CD2 4.35Å; Y55-L385 HydrophobicContact CD2-CB 4.49Å; Y55-L385 WeakPolarHBondContact CD2-O 3.35Å; Y55-L385 HydrophobicContact CE2-CB 4.14Å; P84-L385 HydrophobicContact CB-CD1 3.54Å; P84-L385 HydrophobicContact CG-CD1 4.19Å; Y383-L385 PolarHBondContact O-N 3.46Å
386	F	87.2	Confident	85.8	Confident	16 Å²	16	60.1 Å²	60.1	7%	0.07	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-16.6	-176.1	-47.2	-70.3	0	0	0	113.2	Y55 S93 L97 F98 F356 Y383 E384 S388	Y55-F386 HydrophobicContact CD1-CD1 4.47Å; Y55-F386 HydrophobicContact CD1-CE1 4.32Å; Y55-F386 AromaticContact CD2-CD1 3.65Å; Y55-F386 HydrophobicContact CD2-CD1 3.65Å; Y55-F386 AromaticContact CD2-CE1 3.71Å; Y55-F386 HydrophobicContact CD2-CE1 3.71Å; Y55-F386 AromaticContact CE1-CE1 3.99Å; Y55-F386 HydrophobicContact CE1-CE1 3.99Å; Y55-F386 AromaticContact CE2-CD1 3.73Å; Y55-F386 HydrophobicContact CE2-CD1 3.73Å; Y55-F386 AromaticContact CE2-CE1 3.27Å; Y55-F386 HydrophobicContact CE2-CE1 3.27Å; Y55-F386 HydrophobicContact CE2-CZ 4.09Å; Y55-F386 HydrophobicContact CG-CD1 4.04Å; Y55-F386 HydrophobicContact CG-CE1 4.22Å; Y55-F386 AromaticContact CZ-CE1 3.46Å; Y55-F386 VanDerWaalsContact CZ-CE1 3.46Å; S93-F386 WeakPolarHBondContact OG-CZ 3.33Å; L97-F386 HydrophobicContact CD1-CB 4.46Å; L97-F386 HydrophobicContact CD1-CD1 3.44Å; L97-F386 VanDerWaalsContact CD1-CD1 3.44Å; L97-F386 HydrophobicContact CD1-CD2 3.52Å; L97-F386 HydrophobicContact CD1-CE1 3.36Å; L97-F386 HydrophobicContact CD1-CE2 3.48Å; L97-F386 VanDerWaalsContact CD1-CE2 3.48Å; L97-F386 HydrophobicContact CD1-CG 3.51Å; L97-F386 HydrophobicContact CD1-CZ 3.39Å; F98-F386 HydrophobicContact CE2-CD1 4.16Å; F98-F386 HydrophobicContact CE2-CE1 4.38Å; F98-F386 HydrophobicContact CZ-CD1 4.17Å; F356-F386 HydrophobicContact CD2-CD2 4.34Å; F356-F386 HydrophobicContact CD2-CE2 4.16Å; F356-F386 HydrophobicContact CE2-CD2 4.37Å; F356-F386 AromaticContact CE2-CE2 3.87Å; F356-F386 HydrophobicContact CE2-CE2 3.87Å; Y383-F386 HydrophobicContact CD2-CB 4.24Å; Y383-F386 HydrophobicContact CD2-CD2 4Å; Y383-F386 HydrophobicContact CE2-CB 3.92Å; Y383-F386 HydrophobicContact CE2-CD2 4.45Å; Y383-F386 PolarHBondContact O-N 2.89Å; E384-F386 VanDerWaalsContact C-N 3.33Å; F386-S388 PolarHBondContact O-N 3.2Å
387	D	85.6	Confident	86.8	Confident	13 Å²	13	53.5 Å²	53.5	7%	0.07	27%	0.27	C	S	.	.			trans	-64.4	118.4	175.3	-176	-0.9	0	0	0	111	Y383 L389 R390	Y383-D387 HydrophobicContact CD1-CB 4.44Å; Y383-D387 HydrophobicContact CE1-CB 4.1Å; Y383-D387 PolarHBondContact O-N 2.98Å; D387-L389 PolarHBondContact O-N 3.34Å; D387-L389 WeakPolarHBondContact OD1-CB 3.45Å; D387-L389 PolarHBondContact OD1-N 2.61Å; D387-R390 HydrophobicContact CB-CG 3.92Å; D387-R390 PolarHBondContact O-N 3.43Å; D387-R390 IonicContact OD2-NE 3.53Å
388	S	80.6	Confident	87.4	Confident	5 Å²	5	54.6 Å²	54.6	4%	0.035	28%	0.276	C	S	.	.	S	Bend	trans	-70.9	-20.9	-176.8	69.3	0	0	0	0	112.8	R56 F386 V391 E437	R56-S388 PolarHBondContact NH1-O 3.34Å; F386-S388 PolarHBondContact O-N 3.2Å; S388-V391 WeakPolarHBondContact O-CG2 3.36Å; S388-E437 VanDerWaalsContact CB-O 3.27Å; S388-E437 WeakPolarHBondContact CB-O 3.5Å; S388-E437 PolarHBondContact OG-O 2.87Å
389	L	85.2	Confident	87.9	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.021	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-71.7	-33	178.8	-68.7	167.2	0	0	0	111.9	D387 V391 V392 L397 W401 Y432 M582	D387-L389 PolarHBondContact O-N 3.34Å; D387-L389 WeakPolarHBondContact OD1-CB 3.45Å; D387-L389 PolarHBondContact OD1-N 2.61Å; L389-V391 PolarHBondContact O-N 2.88Å; L389-V391 VanDerWaalsContact O-N 3.12Å; L389-V392 WeakPolarHBondContact O-CB 3.31Å; L389-V392 PolarHBondContact O-N 2.73Å; L389-L397 HydrophobicContact CD2-CD2 4.19Å; L389-W401 HydrophobicContact CD1-CH2 4.42Å; L389-W401 HydrophobicContact CD2-CH2 3.84Å; L389-W401 HydrophobicContact CD2-CZ2 3.74Å; L389-Y432 VanDerWaalsContact CD2-CB 3.48Å; L389-Y432 HydrophobicContact CD2-CD1 4.47Å; L389-Y432 HydrophobicContact CD2-CG 4.26Å; L389-M582 HydrophobicContact CB-SD 4.28Å; L389-M582 HydrophobicContact CD1-CE 3.71Å; L389-M582 HydrophobicContact CD1-SD 3.65Å
390	R	83.1	Confident	88.3	Confident	118 Å²	118	51 Å²	51	45%	0.445	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-67.6	-11.3	-177.1	-63.9	-64.3	-169.4	-170.1	4.5	114.9	D387	D387-R390 HydrophobicContact CB-CG 3.92Å; D387-R390 PolarHBondContact O-N 3.43Å; D387-R390 IonicContact OD2-NE 3.53Å
391	V	80.4	Confident	88.7	Confident	45 Å²	45	49.5 Å²	49.5	27%	0.273	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-99.4	-12.4	171.8	-62.8	0	0	0	0	113.5	R52 S388 L389	R52-V391 HydrophobicContact CB-CG1 3.38Å; R52-V391 HydrophobicContact CG-CG1 4.21Å; S388-V391 WeakPolarHBondContact O-CG2 3.36Å; L389-V391 PolarHBondContact O-N 2.88Å; L389-V391 VanDerWaalsContact O-N 3.12Å
392	V	87.3	Confident	89.2	Confident	23 Å²	23	43.5 Å²	43.5	14%	0.139	21%	0.212	C	C	.	.	S	Bend	trans	-75.9	131.5	177.8	-173.2	0	0	0	0	107.1	L389 R396 L397 M400 Y432	L389-V392 WeakPolarHBondContact O-CB 3.31Å; L389-V392 PolarHBondContact O-N 2.73Å; V392-R396 HydrophobicContact CG1-CB 3.84Å; V392-R396 HydrophobicContact CG1-CG 3.78Å; V392-L397 HydrophobicContact CB-CD2 3.9Å; V392-L397 HydrophobicContact CB-CG 4.06Å; V392-L397 HydrophobicContact CG1-CD2 3.71Å; V392-L397 HydrophobicContact CG1-CG 3.79Å; V392-M400 HydrophobicContact CG1-CE 4.17Å; V392-Y432 HydrophobicContact CG2-CD1 4.35Å; V392-Y432 HydrophobicContact CG2-CD2 3.93Å; V392-Y432 HydrophobicContact CG2-CE1 4.34Å; V392-Y432 HydrophobicContact CG2-CE2 3.92Å; V392-Y432 HydrophobicContact CG2-CG 4.16Å
393	S	90.7	Very high	89.6	Confident	70 Å²	70	44.2 Å²	44.2	49%	0.49	21%	0.21	S	C	.	.			trans	-64.4	144.5	-179.9	67.8	0	0	0	0	110.3	K395 R396 L397	S393-K395 PolarHBondContact O-N 3.01Å; S393-K395 VanDerWaalsContact O-N 3.16Å; S393-R396 PolarHBondContact O-N 3.39Å; S393-R396 WeakPolarHBondContact OG-CB 3.28Å; S393-R396 PolarHBondContact OG-N 3.49Å; S393-L397 PolarHBondContact O-N 3.38Å
394	R	92.7	Very high	89.7	Confident	135 Å²	135	48.9 Å²	48.9	51%	0.509	24%	0.236	S	C	.	.	H	α-helix	trans	-50.5	-41.2	174.5	-178.4	175.2	-178	-180	-1.5	111.9	R396 L397 L398 L586	R394-R396 PolarHBondContact O-N 2.89Å; R394-L397 PolarHBondContact O-N 3.17Å; R394-L398 HydrophobicContact CG-CD1 4.06Å; R394-L398 HydrophobicContact CG-CG 4.49Å; R394-L398 WeakPolarHBondContact O-CG 3.39Å; R394-L398 PolarHBondContact O-N 3.01Å; R394-L586 HydrophobicContact CG-CD2 4.14Å; R394-L586 VanDerWaalsContact CZ-O 3.28Å; R394-L586 PolarHBondContact NE-O 3.32Å; R394-L586 VanDerWaalsContact NE-O 3.09Å; R394-L586 PolarHBondContact NH2-O 2.89Å
395	K	94.4	Very high	90.1	Very high	150 Å²	150	45.4 Å²	45.4	65%	0.652	22%	0.22	S	C	*	.	H	α-helix	trans	-56.4	-49.4	175	-177.4	-178.5	175.3	-176.5	0	111.9	S393 L398 E399	S393-K395 PolarHBondContact O-N 3.01Å; S393-K395 VanDerWaalsContact O-N 3.16Å; K395-L398 PolarHBondContact O-N 2.85Å; K395-E399 VanDerWaalsContact CE-OE1 3.28Å; K395-E399 WeakPolarHBondContact CE-OE1 3.24Å; K395-E399 WeakPolarHBondContact O-CG 3.2Å; K395-E399 PolarHBondContact O-N 2.96Å
396	R	94.7	Very high	90.4	Very high	70 Å²	70	49.8 Å²	49.8	26%	0.264	24%	0.239	S	C	.	.	H	α-helix	trans	-67.6	-36.4	-179.7	-179.2	56.9	179.2	168.3	3	112.1	V392 S393 R394 E399 M400 E431	V392-R396 HydrophobicContact CG1-CB 3.84Å; V392-R396 HydrophobicContact CG1-CG 3.78Å; S393-R396 PolarHBondContact O-N 3.39Å; S393-R396 WeakPolarHBondContact OG-CB 3.28Å; S393-R396 PolarHBondContact OG-N 3.49Å; R394-R396 PolarHBondContact O-N 2.89Å; R396-E399 VanDerWaalsContact CD-OE2 3.29Å; R396-E399 WeakPolarHBondContact CD-OE2 3.44Å; R396-E399 IonicContact CZ-OE2 3.39Å; R396-E399 IonicContact NH1-OE2 2.88Å; R396-E399 PolarHBondContact NH1-OE2 3.46Å; R396-E399 PolarHBondContact O-N 2.92Å; R396-M400 HydrophobicContact CG-CE 4.26Å; R396-M400 WeakPolarHBondContact O-CG 3.5Å; R396-M400 PolarHBondContact O-N 2.9Å; R396-M400 VanDerWaalsContact O-N 3.12Å; R396-E431 IonicContact CZ-OE2 2.61Å; R396-E431 IonicContact NE-OE2 3.17Å; R396-E431 PolarHBondContact NE-OE2 3.37Å; R396-E431 IonicContact NH2-OE2 2.66Å; R396-E431 PolarHBondContact NH2-OE2 2.91Å
397	L	94.9	Very high	90.8	Very high	14 Å²	14	52 Å²	52	7%	0.073	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-47.8	173.3	-67.4	174.1	0	0	0	111	L389 V392 S393 R394 E399 M400 W401 L586	L389-L397 HydrophobicContact CD2-CD2 4.19Å; V392-L397 HydrophobicContact CB-CD2 3.9Å; V392-L397 HydrophobicContact CB-CG 4.06Å; V392-L397 HydrophobicContact CG1-CD2 3.71Å; V392-L397 HydrophobicContact CG1-CG 3.79Å; S393-L397 PolarHBondContact O-N 3.38Å; R394-L397 PolarHBondContact O-N 3.17Å; L397-E399 VanDerWaalsContact C-N 3.35Å; L397-E399 PolarHBondContact O-N 2.89Å; L397-M400 HydrophobicContact CD2-CE 3.79Å; L397-M400 PolarHBondContact O-N 2.88Å; L397-W401 HydrophobicContact CB-CE3 4.43Å; L397-W401 HydrophobicContact CD2-CH2 3.78Å; L397-W401 HydrophobicContact CD2-CZ2 3.79Å; L397-W401 HydrophobicContact CD2-CZ3 4.17Å; L397-W401 VanDerWaalsContact O-CB 3.29Å; L397-W401 WeakPolarHBondContact O-CB 3.21Å; L397-W401 PolarHBondContact O-N 3.24Å; L397-L586 HydrophobicContact CB-CD1 3.83Å; L397-L586 HydrophobicContact CB-CD2 4.31Å; L397-L586 HydrophobicContact CD1-CD1 4.33Å; L397-L586 HydrophobicContact CD1-CD2 3.82Å
398	L	95.5	Very high	91.2	Very high	36 Å²	36	53.4 Å²	53.4	19%	0.188	26%	0.261	C	S	.	.	H	α-helix	trans	-63.2	-37.2	176.9	-70	168.8	0	0	0	112.8	R394 K395 M400 G402 P403 L586 Y587	R394-L398 HydrophobicContact CG-CD1 4.06Å; R394-L398 HydrophobicContact CG-CG 4.49Å; R394-L398 WeakPolarHBondContact O-CG 3.39Å; R394-L398 PolarHBondContact O-N 3.01Å; K395-L398 PolarHBondContact O-N 2.85Å; L398-M400 VanDerWaalsContact C-N 3.34Å; L398-M400 PolarHBondContact O-N 2.83Å; L398-G402 CarbonylContact O-C 3.59Å; L398-G402 VanDerWaalsContact O-C 3.31Å; L398-G402 WeakPolarHBondContact O-CA 3.37Å; L398-G402 PolarHBondContact O-N 3.34Å; L398-P403 HydrophobicContact CB-CB 4.45Å; L398-P403 WeakPolarHBondContact O-CD 3.47Å; L398-L586 HydrophobicContact CD2-CB 4.15Å; L398-Y587 HydrophobicContact CD2-CD1 4.21Å; L398-Y587 HydrophobicContact CD2-CE1 3.69Å
399	E	95.8	Very high	91.9	Very high	69 Å²	69	58.8 Å²	58.8	32%	0.322	29%	0.289	S	S	.	.	H	α-helix	trans	-58.4	-45.6	172.7	-75.3	168.8	-167.6	0	0	111.5	K395 R396 L397 N424 A428	K395-E399 VanDerWaalsContact CE-OE1 3.28Å; K395-E399 WeakPolarHBondContact CE-OE1 3.24Å; K395-E399 WeakPolarHBondContact O-CG 3.2Å; K395-E399 PolarHBondContact O-N 2.96Å; R396-E399 VanDerWaalsContact CD-OE2 3.29Å; R396-E399 WeakPolarHBondContact CD-OE2 3.44Å; R396-E399 IonicContact CZ-OE2 3.39Å; R396-E399 IonicContact NH1-OE2 2.88Å; R396-E399 PolarHBondContact NH1-OE2 3.46Å; R396-E399 PolarHBondContact O-N 2.92Å; L397-E399 VanDerWaalsContact C-N 3.35Å; L397-E399 PolarHBondContact O-N 2.89Å; E399-N424 PolarHBondContact O-ND2 3.46Å; E399-A428 HydrophobicContact CB-CB 4.27Å; E399-A428 VanDerWaalsContact O-CB 3.26Å; E399-A428 WeakPolarHBondContact O-CB 3.45Å
400	M	95.2	Very high	92.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-74.2	-41.8	-179.4	-68.1	-175.2	-56.6	0	0	112.5	V392 R396 L397 L398 N424 I429 V430 E431 Y432	V392-M400 HydrophobicContact CG1-CE 4.17Å; R396-M400 HydrophobicContact CG-CE 4.26Å; R396-M400 WeakPolarHBondContact O-CG 3.5Å; R396-M400 PolarHBondContact O-N 2.9Å; R396-M400 VanDerWaalsContact O-N 3.12Å; L397-M400 HydrophobicContact CD2-CE 3.79Å; L397-M400 PolarHBondContact O-N 2.88Å; L398-M400 VanDerWaalsContact C-N 3.34Å; L398-M400 PolarHBondContact O-N 2.83Å; M400-N424 VanDerWaalsContact C-ND2 3.32Å; M400-N424 PolarHBondContact O-ND2 2.98Å; M400-I429 WeakPolarHBondContact CG-O 3.44Å; M400-V430 WeakPolarHBondContact O-CG2 3.21Å; M400-E431 HydrophobicContact SD-CB 3.8Å; M400-E431 HydrophobicContact SD-CG 4.39Å; M400-E431 PolarHBondContact SD-N 2.94Å; M400-Y432 HydrophobicContact CE-CD2 3.98Å; M400-Y432 HydrophobicContact SD-CD2 4.21Å
401	W	94.9	Very high	92.9	Very high	1 Å²	1	55.6 Å²	55.6	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-99.6	-1	-168.5	-62.8	-9.9	0	0	0	113.7	L389 L397 L405 I414 Y432 P434 M582 W583 L586	L389-W401 HydrophobicContact CD1-CH2 4.42Å; L389-W401 HydrophobicContact CD2-CH2 3.84Å; L389-W401 HydrophobicContact CD2-CZ2 3.74Å; L397-W401 HydrophobicContact CB-CE3 4.43Å; L397-W401 HydrophobicContact CD2-CH2 3.78Å; L397-W401 HydrophobicContact CD2-CZ2 3.79Å; L397-W401 HydrophobicContact CD2-CZ3 4.17Å; L397-W401 VanDerWaalsContact O-CB 3.29Å; L397-W401 WeakPolarHBondContact O-CB 3.21Å; L397-W401 PolarHBondContact O-N 3.24Å; W401-L405 WeakPolarHBondContact O-CD1 3.36Å; W401-I414 WeakPolarHBondContact O-CD1 3.42Å; W401-I414 WeakPolarHBondContact O-CG1 3.4Å; W401-Y432 PolarHBondContact NE1-O 3.48Å; W401-P434 HydrophobicContact CH2-CG 3.78Å; W401-P434 HydrophobicContact CZ2-CG 3.94Å; W401-P434 HydrophobicContact CZ3-CG 4.23Å; W401-M582 HydrophobicContact CH2-CE 3.71Å; W401-M582 HydrophobicContact CZ3-CE 4.03Å; W401-W583 HydrophobicContact CB-CZ2 3.63Å; W401-W583 HydrophobicContact CD2-CD2 4.41Å; W401-W583 AromaticContact CD2-CE2 3.96Å; W401-W583 HydrophobicContact CD2-CZ2 4.24Å; W401-W583 AromaticContact CE3-CD1 3.54Å; W401-W583 AromaticContact CE3-CD2 3.97Å; W401-W583 HydrophobicContact CE3-CD2 3.97Å; W401-W583 AromaticContact CE3-CE2 3.8Å; W401-W583 AromaticContact CE3-CG 3.84Å; W401-W583 HydrophobicContact CE3-CG 3.84Å; W401-W583 AromaticContact CE3-NE1 3.56Å; W401-W583 AromaticContact CG-CE2 3.94Å; W401-W583 AromaticContact CG-CZ2 3.85Å; W401-W583 HydrophobicContact CG-CZ2 3.85Å; W401-W583 HydrophobicContact CZ3-CD2 4.45Å; W401-W583 HydrophobicContact CZ3-CG 4.13Å; W401-L586 HydrophobicContact CD2-CD1 4.45Å; W401-L586 HydrophobicContact CE3-CD1 3.31Å; W401-L586 HydrophobicContact CZ3-CD1 3.53Å
402	G	93	Very high	93.7	Very high	3 Å²	3	54 Å²	54	3%	0.031	27%	0.271	C	S	.	.			trans	90.8	118.7	177.8	0	0	0	0	0	111.7	L398 Y587	L398-G402 CarbonylContact O-C 3.59Å; L398-G402 VanDerWaalsContact O-C 3.31Å; L398-G402 WeakPolarHBondContact O-CA 3.37Å; L398-G402 PolarHBondContact O-N 3.34Å; G402-Y587 WeakPolarHBondContact O-CE1 3.43Å; G402-Y587 PolarHBondContact O-OH 2.73Å
403	P	91.3	Very high	94.1	Very high	50 Å²	50	54.9 Å²	54.9	33%	0.325	28%	0.281	S	S	.	.	S	Bend	trans	-76.7	-25.2	178	30.2	-33	0	0	0	113	L398 N426	L398-P403 HydrophobicContact CB-CB 4.45Å; L398-P403 WeakPolarHBondContact O-CD 3.47Å; P403-N426 VanDerWaalsContact CD-ND2 3.29Å; P403-N426 WeakPolarHBondContact CD-ND2 3.44Å
404	N	91.2	Very high	94.3	Very high	106 Å²	106	51.8 Å²	51.8	57%	0.567	26%	0.259	S	S	*	.			trans	-124.3	107	178.7	-44.9	-69.3	0	0	0	108.3	E593	N404-E593 WeakPolarHBondContact CA-OE1 3.46Å
405	L	93.5	Very high	94.4	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.026	24%	0.235	C	C	.	.			trans	-126.9	98.3	-179.7	-60.7	177.6	0	0	0	108.1	W401 D410 I411 I414 Y587 E593 F597	W401-L405 WeakPolarHBondContact O-CD1 3.36Å; L405-D410 HydrophobicContact CB-CB 4.32Å; L405-D410 HydrophobicContact CD2-CB 3.69Å; L405-I411 HydrophobicContact CD1-CG1 4.43Å; L405-I414 HydrophobicContact CD2-CG1 4.2Å; L405-Y587 VanDerWaalsContact CD1-OH 3.26Å; L405-Y587 WeakPolarHBondContact CD1-OH 3.21Å; L405-E593 HydrophobicContact CB-CG 4.14Å; L405-E593 WeakPolarHBondContact O-CA 3.45Å; L405-E593 WeakPolarHBondContact O-CG 3.28Å; L405-F597 HydrophobicContact CD1-CE2 3.8Å; L405-F597 HydrophobicContact CD1-CZ 3.49Å; L405-F597 VanDerWaalsContact CD1-CZ 3.49Å
406	H	91.9	Very high	94.3	Very high	112 Å²	112	40.9 Å²	40.9	52%	0.519	22%	0.215	S	C	.	.			trans	-105	-17.2	-172.9	-57.1	150.9	0	0	0	112.7	D410 E593	H406-D410 PolarHBondContact N-OD2 3.4Å; H406-E593 IonicContact CD2-OE1 3.89Å; H406-E593 PolarHBondContact CD2-OE1 3.41Å; H406-E593 VanDerWaalsContact CD2-OE1 3.31Å; H406-E593 IonicContact NE2-OE1 2.73Å; H406-E593 PolarHBondContact NE2-OE1 2.68Å; H406-E593 VanDerWaalsContact NE2-OE1 3.17Å
407	T	94.5	Very high	94.3	Very high	63 Å²	63	37.7 Å²	37.7	39%	0.387	20%	0.203	S	C	.	.	S	Bend	trans	-135.1	160.4	-172.7	67.4	0	0	0	0	111.5	D409 D410 I411 L596	T407-D409 PolarHBondContact O-N 3.39Å; T407-D409 PolarHBondContact OG1-N 2.99Å; T407-D410 PolarHBondContact N-OD2 3.32Å; T407-D410 WeakPolarHBondContact O-CB 3.5Å; T407-D410 PolarHBondContact O-N 3.37Å; T407-D410 VanDerWaalsContact O-N 3.15Å; T407-D410 PolarHBondContact OG1-N 3.17Å; T407-D410 PolarHBondContact OG1-OD2 3.08Å; T407-I411 PolarHBondContact O-N 3.25Å; T407-L596 WeakPolarHBondContact O-CD2 3.49Å
408	M	94.2	Very high	94.1	Very high	42 Å²	42	37.1 Å²	37.1	21%	0.207	20%	0.201	C	C	.	.	H	α-helix	trans	-60.7	-29	171	-75.8	-55.6	-44.1	0	0	112.5	D410 I411 N412 L462 L596 I600 Y604	M408-D410 VanDerWaalsContact C-N 3.29Å; M408-D410 PolarHBondContact O-N 3.25Å; M408-I411 HydrophobicContact CE-CB 4.29Å; M408-I411 HydrophobicContact CE-CG2 4.31Å; M408-I411 PolarHBondContact O-N 2.95Å; M408-I411 HydrophobicContact SD-CD1 4.37Å; M408-N412 WeakPolarHBondContact O-CB 3.5Å; M408-N412 PolarHBondContact O-N 2.87Å; M408-N412 PolarHBondContact O-ND2 2.87Å; M408-N412 PolarHBondContact O-OD1 2.92Å; M408-L462 HydrophobicContact CE-CD1 4.31Å; M408-L596 HydrophobicContact CG-CD1 4.28Å; M408-L596 HydrophobicContact SD-CD1 3.82Å; M408-I600 HydrophobicContact CE-CD1 4.02Å; M408-I600 HydrophobicContact CE-CG1 4.47Å; M408-I600 HydrophobicContact SD-CD1 3.9Å; M408-I600 HydrophobicContact SD-CG1 4.06Å; M408-Y604 HydrophobicContact CE-CE1 4.34Å; M408-Y604 WeakPolarHBondContact CE-OH 3.49Å; M408-Y604 PolarHBondContact SD-OH 3.34Å
409	D	94.9	Very high	93.9	Very high	118 Å²	118	35.6 Å²	35.6	63%	0.631	19%	0.193	S	C	*	.	H	α-helix	trans	-65.4	-34.5	176.3	-68.3	-23.6	0	0	0	111.8	T407 N412 A413	T407-D409 PolarHBondContact O-N 3.39Å; T407-D409 PolarHBondContact OG1-N 2.99Å; D409-N412 PolarHBondContact O-N 3.29Å; D409-A413 WeakPolarHBondContact O-CB 3.28Å; D409-A413 PolarHBondContact O-N 3.38Å
410	D	95.2	Very high	93.6	Very high	56 Å²	56	32.7 Å²	32.7	30%	0.299	18%	0.18	S	C	.	.	H	α-helix	trans	-63.9	-42.7	173.9	-57.9	-48.8	0	0	0	110.9	L405 H406 T407 M408 A413 I414	L405-D410 HydrophobicContact CB-CB 4.32Å; L405-D410 HydrophobicContact CD2-CB 3.69Å; H406-D410 PolarHBondContact N-OD2 3.4Å; T407-D410 PolarHBondContact N-OD2 3.32Å; T407-D410 WeakPolarHBondContact O-CB 3.5Å; T407-D410 PolarHBondContact O-N 3.37Å; T407-D410 VanDerWaalsContact O-N 3.15Å; T407-D410 PolarHBondContact OG1-N 3.17Å; T407-D410 PolarHBondContact OG1-OD2 3.08Å; M408-D410 VanDerWaalsContact C-N 3.29Å; M408-D410 PolarHBondContact O-N 3.25Å; D410-A413 WeakPolarHBondContact O-CB 3.43Å; D410-A413 PolarHBondContact O-N 3.04Å; D410-I414 PolarHBondContact O-N 3.46Å
411	I	95.4	Very high	93.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.6	-45.7	176.3	-66.9	-177.7	0	0	0	110.7	L405 T407 M408 A413 I414 F415 L462 L596 F597 I600	L405-I411 HydrophobicContact CD1-CG1 4.43Å; T407-I411 PolarHBondContact O-N 3.25Å; M408-I411 HydrophobicContact CE-CB 4.29Å; M408-I411 HydrophobicContact CE-CG2 4.31Å; M408-I411 PolarHBondContact O-N 2.95Å; M408-I411 HydrophobicContact SD-CD1 4.37Å; I411-A413 PolarHBondContact O-N 2.85Å; I411-I414 WeakPolarHBondContact O-CB 3.25Å; I411-I414 PolarHBondContact O-N 3.26Å; I411-F415 HydrophobicContact CG2-CD2 3.9Å; I411-F415 HydrophobicContact CG2-CE2 3.87Å; I411-F415 WeakPolarHBondContact O-CD2 3.07Å; I411-F415 PolarHBondContact O-N 2.98Å; I411-L462 HydrophobicContact CG2-CD2 4.03Å; I411-L596 HydrophobicContact CD1-CD1 4.49Å; I411-L596 HydrophobicContact CD1-CD2 3.34Å; I411-L596 HydrophobicContact CD1-CG 3.56Å; I411-L596 HydrophobicContact CG1-CD2 3.81Å; I411-F597 HydrophobicContact CD1-CE1 4.12Å; I411-F597 HydrophobicContact CD1-CZ 4.38Å; I411-I600 HydrophobicContact CD1-CD1 3.31Å; I411-I600 HydrophobicContact CG2-CD1 4.41Å
412	N	95.9	Very high	93.1	Very high	10 Å²	10	40.5 Å²	40.5	5%	0.053	22%	0.215	C	C	.	.	H	α-helix	trans	-55.5	-40.3	175.9	-68.8	-12.3	0	0	0	111.3	M408 D409 I414 F415 F416 A457 G460	M408-N412 WeakPolarHBondContact O-CB 3.5Å; M408-N412 PolarHBondContact O-N 2.87Å; M408-N412 PolarHBondContact O-ND2 2.87Å; M408-N412 PolarHBondContact O-OD1 2.92Å; D409-N412 PolarHBondContact O-N 3.29Å; N412-I414 VanDerWaalsContact C-N 3.32Å; N412-I414 PolarHBondContact O-N 3.14Å; N412-F415 PolarHBondContact O-N 3.35Å; N412-F416 WeakPolarHBondContact O-CB 3.04Å; N412-F416 PolarHBondContact O-N 2.97Å; N412-A457 WeakPolarHBondContact CA-O 3.27Å; N412-A457 VanDerWaalsContact CB-O 3.27Å; N412-A457 WeakPolarHBondContact CB-O 3.39Å; N412-G460 PolarHBondContact ND2-N 3.43Å; N412-G460 WeakPolarHBondContact OD1-CA 3.44Å
413	A	95.3	Very high	93.1	Very high	43 Å²	43	43.9 Å²	43.9	36%	0.355	24%	0.236	S	C	.	.	H	α-helix	trans	-63.5	-34.6	176.4	0	0	0	0	0	113	D409 D410 I411 F416 S417	D409-A413 WeakPolarHBondContact O-CB 3.28Å; D409-A413 PolarHBondContact O-N 3.38Å; D410-A413 WeakPolarHBondContact O-CB 3.43Å; D410-A413 PolarHBondContact O-N 3.04Å; I411-A413 PolarHBondContact O-N 2.85Å; A413-F416 PolarHBondContact O-N 3.09Å; A413-S417 PolarHBondContact O-N 3.24Å
414	I	95.3	Very high	93.2	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-69	-45.2	173.6	-57.9	-58	0	0	0	111	W401 L405 D410 I411 N412 F416 S417 V418 N424 V430 W583	W401-I414 WeakPolarHBondContact O-CD1 3.42Å; W401-I414 WeakPolarHBondContact O-CG1 3.4Å; L405-I414 HydrophobicContact CD2-CG1 4.2Å; D410-I414 PolarHBondContact O-N 3.46Å; I411-I414 WeakPolarHBondContact O-CB 3.25Å; I411-I414 PolarHBondContact O-N 3.26Å; N412-I414 VanDerWaalsContact C-N 3.32Å; N412-I414 PolarHBondContact O-N 3.14Å; I414-F416 VanDerWaalsContact C-N 3.27Å; I414-F416 PolarHBondContact O-N 2.89Å; I414-S417 WeakPolarHBondContact O-CB 3.26Å; I414-S417 PolarHBondContact O-N 3.44Å; I414-S417 VanDerWaalsContact O-N 3.1Å; I414-V418 WeakPolarHBondContact O-CG2 3.41Å; I414-V418 PolarHBondContact O-N 3.42Å; I414-N424 HydrophobicContact CD1-CB 4.17Å; I414-V430 HydrophobicContact CG2-CG2 4.33Å; I414-W583 HydrophobicContact CB-CH2 4.47Å; I414-W583 HydrophobicContact CG2-CH2 3.75Å; I414-W583 HydrophobicContact CG2-CZ2 3.9Å
415	F	95	Very high	93.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-37.5	175.1	-84.1	-102.6	0	0	0	111.5	I411 N412 S417 V418 V419 F433 W435 A457 L462 L463 I464 W580 W583	I411-F415 HydrophobicContact CG2-CD2 3.9Å; I411-F415 HydrophobicContact CG2-CE2 3.87Å; I411-F415 WeakPolarHBondContact O-CD2 3.07Å; I411-F415 PolarHBondContact O-N 2.98Å; N412-F415 PolarHBondContact O-N 3.35Å; F415-S417 VanDerWaalsContact C-N 3.34Å; F415-S417 PolarHBondContact O-N 2.94Å; F415-V418 WeakPolarHBondContact O-CB 3.46Å; F415-V418 PolarHBondContact O-N 3.38Å; F415-V419 WeakPolarHBondContact O-CG2 3.19Å; F415-V419 PolarHBondContact O-N 2.83Å; F415-F433 HydrophobicContact CD1-CE2 4.42Å; F415-F433 HydrophobicContact CD1-CZ 4.16Å; F415-F433 AromaticContact CE1-CE2 3.99Å; F415-F433 HydrophobicContact CE1-CE2 3.99Å; F415-F433 AromaticContact CE1-CZ 3.61Å; F415-F433 HydrophobicContact CE1-CZ 3.61Å; F415-F433 HydrophobicContact CZ-CE2 4.08Å; F415-F433 HydrophobicContact CZ-CZ 4.05Å; F415-W435 HydrophobicContact CE1-CZ3 4.46Å; F415-W435 HydrophobicContact CZ-CH2 4.22Å; F415-W435 AromaticContact CZ-CZ3 3.86Å; F415-W435 HydrophobicContact CZ-CZ3 3.86Å; F415-A457 HydrophobicContact CB-CB 4.19Å; F415-L462 HydrophobicContact CD1-CB 4.05Å; F415-L462 HydrophobicContact CD1-CD2 4.48Å; F415-L462 HydrophobicContact CD2-CD2 3.91Å; F415-L462 VanDerWaalsContact CE1-C 3.45Å; F415-L462 HydrophobicContact CE1-CB 3.64Å; F415-L462 HydrophobicContact CE2-CB 4.29Å; F415-L462 HydrophobicContact CE2-CD2 4.09Å; F415-L462 HydrophobicContact CG-CD2 4.12Å; F415-L462 HydrophobicContact CZ-CB 3.78Å; F415-L462 HydrophobicContact CZ-CD2 4.44Å; F415-L463 WeakPolarHBondContact CD1-O 3.42Å; F415-L463 VanDerWaalsContact CE1-O 3.3Å; F415-L463 WeakPolarHBondContact CE1-O 3.25Å; F415-I464 HydrophobicContact CE1-CG2 4.27Å; F415-W580 AromaticContact CE2-CH2 3.7Å; F415-W580 HydrophobicContact CE2-CH2 3.7Å; F415-W580 HydrophobicContact CE2-CZ3 4.34Å; F415-W580 AromaticContact CZ-CH2 3.57Å; F415-W580 HydrophobicContact CZ-CH2 3.57Å; F415-W580 HydrophobicContact CZ-CZ2 4.15Å; F415-W580 HydrophobicContact CZ-CZ3 4.44Å; F415-W583 HydrophobicContact CE2-CH2 4.16Å; F415-W583 AromaticContact CE2-CZ3 4Å; F415-W583 HydrophobicContact CE2-CZ3 4Å; F415-W583 HydrophobicContact CZ-CZ3 4.39Å
416	F	93.7	Very high	93.1	Very high	56 Å²	56	47.3 Å²	47.3	25%	0.246	26%	0.256	C	S	.	.	H	α-helix	trans	-61.4	-43	172.7	-178.6	-82.6	0	0	0	111.4	N412 A413 I414 V418 V419 S420 L454 A457 S458	N412-F416 WeakPolarHBondContact O-CB 3.04Å; N412-F416 PolarHBondContact O-N 2.97Å; A413-F416 PolarHBondContact O-N 3.09Å; I414-F416 VanDerWaalsContact C-N 3.27Å; I414-F416 PolarHBondContact O-N 2.89Å; F416-V418 VanDerWaalsContact C-N 3.34Å; F416-V418 PolarHBondContact O-N 3.22Å; F416-V419 PolarHBondContact O-N 2.68Å; F416-S420 WeakPolarHBondContact O-CB 3.23Å; F416-S420 PolarHBondContact O-N 2.52Å; F416-S420 PolarHBondContact O-OG 3.38Å; F416-L454 HydrophobicContact CD2-CB 4.24Å; F416-L454 HydrophobicContact CD2-CD2 4.16Å; F416-L454 HydrophobicContact CE2-CB 3.82Å; F416-L454 HydrophobicContact CE2-CD1 4.33Å; F416-L454 HydrophobicContact CE2-CD2 3.93Å; F416-L454 HydrophobicContact CE2-CG 4.25Å; F416-L454 HydrophobicContact CZ-CD1 4.42Å; F416-L454 HydrophobicContact CZ-CD2 4.24Å; F416-A457 HydrophobicContact CB-CB 4.27Å; F416-S458 WeakPolarHBondContact CD2-OG 3.03Å
417	S	93	Very high	93.2	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.014	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-40.6	174.6	177.6	0	0	0	0	111.8	A413 I414 F415 G421 R422 V430	A413-S417 PolarHBondContact O-N 3.24Å; I414-S417 WeakPolarHBondContact O-CB 3.26Å; I414-S417 PolarHBondContact O-N 3.44Å; I414-S417 VanDerWaalsContact O-N 3.1Å; F415-S417 VanDerWaalsContact C-N 3.34Å; F415-S417 PolarHBondContact O-N 2.94Å; S417-G421 WeakPolarHBondContact O-CA 3.21Å; S417-G421 PolarHBondContact O-N 3.05Å; S417-R422 WeakPolarHBondContact CB-O 3.18Å; S417-R422 PolarHBondContact OG-O 3.33Å; S417-V430 WeakPolarHBondContact OG-CG2 3.31Å
418	V	92.3	Very high	93.1	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	25%	0.246	C	C	.	.	H	α-helix	trans	-60.7	-49.7	175.2	169.6	0	0	0	0	111.6	I414 F415 F416 V430 F433 L440 W442	I414-V418 WeakPolarHBondContact O-CG2 3.41Å; I414-V418 PolarHBondContact O-N 3.42Å; F415-V418 WeakPolarHBondContact O-CB 3.46Å; F415-V418 PolarHBondContact O-N 3.38Å; F416-V418 VanDerWaalsContact C-N 3.34Å; F416-V418 PolarHBondContact O-N 3.22Å; V418-V430 HydrophobicContact CG2-CB 3.86Å; V418-V430 HydrophobicContact CG2-CG1 3.47Å; V418-V430 VanDerWaalsContact CG2-CG1 3.47Å; V418-V430 HydrophobicContact CG2-CG2 4.22Å; V418-F433 HydrophobicContact CB-CD2 4.5Å; V418-F433 HydrophobicContact CG1-CD1 4.26Å; V418-F433 HydrophobicContact CG1-CD2 4.13Å; V418-F433 HydrophobicContact CG1-CE1 4.38Å; V418-F433 HydrophobicContact CG1-CE2 4.28Å; V418-F433 HydrophobicContact CG1-CG 4.12Å; V418-F433 HydrophobicContact CG1-CZ 4.38Å; V418-F433 HydrophobicContact CG2-CD2 3.63Å; V418-F433 HydrophobicContact CG2-CE2 3.95Å; V418-F433 HydrophobicContact CG2-CG 4.27Å; V418-L440 HydrophobicContact CG1-CD1 3.88Å; V418-W442 PolarHBondContact O-NE1 3.44Å
419	V	90.1	Very high	93.1	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.024	25%	0.253	C	S	.	.	H	α-helix	trans	-69.9	-41.3	-177.9	175.5	0	0	0	0	111.3	F415 F416 L453 L454 A457 L463 W466	F415-V419 WeakPolarHBondContact O-CG2 3.19Å; F415-V419 PolarHBondContact O-N 2.83Å; F416-V419 PolarHBondContact O-N 2.68Å; V419-L453 HydrophobicContact CG1-CB 3.66Å; V419-L454 HydrophobicContact CB-CD2 4.18Å; V419-L454 HydrophobicContact CG1-CD2 3.74Å; V419-A457 HydrophobicContact CG2-CB 4.27Å; V419-L463 HydrophobicContact CG2-CD1 4.18Å; V419-W466 HydrophobicContact CG2-CH2 4.17Å
420	S	89.8	Confident	93	Very high	8 Å²	8	37.9 Å²	37.9	6%	0.056	22%	0.223	C	C	.	.	H	α-helix	trans	-82.4	-20.3	-175.1	66	0	0	0	0	114.7	F416 R422 I449	F416-S420 WeakPolarHBondContact O-CB 3.23Å; F416-S420 PolarHBondContact O-N 2.52Å; F416-S420 PolarHBondContact O-OG 3.38Å; S420-R422 PolarHBondContact O-N 2.86Å; S420-R422 WeakPolarHBondContact OG-CB 3.16Å; S420-R422 PolarHBondContact OG-N 3.01Å; S420-I449 WeakPolarHBondContact O-CD1 3.34Å
421	G	89.1	Confident	92.8	Very high	17 Å²	17	37.3 Å²	37.3	18%	0.175	22%	0.219	C	C	.	.			trans	66.5	9.1	-169.3	0	0	0	0	0	114	S417 W442	S417-G421 WeakPolarHBondContact O-CA 3.21Å; S417-G421 PolarHBondContact O-N 3.05Å; G421-W442 VanDerWaalsContact CA-CD1 3.44Å; G421-W442 VanDerWaalsContact CA-CE2 3.48Å
422	R	91.2	Very high	92.6	Very high	149 Å²	149	38.4 Å²	38.4	56%	0.562	22%	0.223	S	C	*	.			trans	-82.7	151.5	178.4	-63	176.4	-174.8	176.1	3.9	110.3	S417 S420	S417-R422 WeakPolarHBondContact CB-O 3.18Å; S417-R422 PolarHBondContact OG-O 3.33Å; S420-R422 PolarHBondContact O-N 2.86Å; S420-R422 WeakPolarHBondContact OG-CB 3.16Å; S420-R422 PolarHBondContact OG-N 3.01Å
423	P	93	Very high	92.4	Very high	73 Å²	73	38.1 Å²	38.1	47%	0.474	22%	0.221	S	C	.	.			trans	-57.1	145.1	172.7	-20.9	31.8	0	0	0	111.9	A428 I429	P423-A428 CarbonylContact C-O 3.53Å; P423-A428 WeakPolarHBondContact CA-O 3.27Å; P423-I429 HydrophobicContact CB-CG1 4.4Å; P423-I429 HydrophobicContact CG-CG1 4Å
424	N	93.3	Very high	92.3	Very high	16 Å²	16	36.1 Å²	36.1	9%	0.086	20%	0.204	C	C	.	.			trans	-71.8	-177.7	169.1	71	12.6	0	0	0	111.3	E399 M400 I414 N426 G427 A428	E399-N424 PolarHBondContact O-ND2 3.46Å; M400-N424 VanDerWaalsContact C-ND2 3.32Å; M400-N424 PolarHBondContact O-ND2 2.98Å; I414-N424 HydrophobicContact CD1-CB 4.17Å; N424-N426 PolarHBondContact O-N 3.22Å; N424-N426 WeakPolarHBondContact OD1-CA 3.38Å; N424-N426 WeakPolarHBondContact OD1-CB 3.36Å; N424-N426 PolarHBondContact OD1-N 3.44Å; N424-G427 PolarHBondContact O-N 3.03Å; N424-G427 PolarHBondContact OD1-N 2.98Å; N424-A428 VanDerWaalsContact CG-O 3.27Å; N424-A428 PolarHBondContact N-O 2.89Å; N424-A428 PolarHBondContact OD1-N 2.92Å; N424-A428 PolarHBondContact OD1-O 2.9Å
425	V	91.5	Very high	92.3	Very high	131 Å²	131	36 Å²	36	79%	0.794	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-20.6	179.4	-61.9	0	0	0	0	114.5
426	N	90.7	Very high	92.1	Very high	86 Å²	86	36.5 Å²	36.5	46%	0.46	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	5.4	177.3	-53.5	-56.2	0	0	0	113	P403 N424 A428	P403-N426 VanDerWaalsContact CD-ND2 3.29Å; P403-N426 WeakPolarHBondContact CD-ND2 3.44Å; N424-N426 PolarHBondContact O-N 3.22Å; N424-N426 WeakPolarHBondContact OD1-CA 3.38Å; N424-N426 WeakPolarHBondContact OD1-CB 3.36Å; N424-N426 PolarHBondContact OD1-N 3.44Å; N426-A428 VanDerWaalsContact C-N 3.28Å; N426-A428 PolarHBondContact O-N 3.33Å
427	G	93.4	Very high	91.8	Very high	60 Å²	60	33.8 Å²	33.8	62%	0.619	20%	0.195	S	C	*	.	S	Bend	trans	75.8	11.3	-176.9	0	0	0	0	0	114.4	N424	N424-G427 PolarHBondContact O-N 3.03Å; N424-G427 PolarHBondContact OD1-N 2.98Å
428	A	93.9	Very high	91.4	Very high	9 Å²	9	36.2 Å²	36.2	7%	0.074	21%	0.212	C	C	.	.			trans	-98.2	136.5	178.5	0	0	0	0	0	111.8	E399 P423 N424 N426	E399-A428 HydrophobicContact CB-CB 4.27Å; E399-A428 VanDerWaalsContact O-CB 3.26Å; E399-A428 WeakPolarHBondContact O-CB 3.45Å; P423-A428 CarbonylContact C-O 3.53Å; P423-A428 WeakPolarHBondContact CA-O 3.27Å; N424-A428 VanDerWaalsContact CG-O 3.27Å; N424-A428 PolarHBondContact N-O 2.89Å; N424-A428 PolarHBondContact OD1-N 2.92Å; N424-A428 PolarHBondContact OD1-O 2.9Å; N426-A428 VanDerWaalsContact C-N 3.28Å; N426-A428 PolarHBondContact O-N 3.33Å
429	I	92.3	Very high	91.1	Very high	68 Å²	68	40.9 Å²	40.9	35%	0.349	23%	0.232	S	C	.	.			trans	-84.4	135.9	171.3	-61.1	173	0	0	0	108.9	M400 P423 E431 W442	M400-I429 WeakPolarHBondContact CG-O 3.44Å; P423-I429 HydrophobicContact CB-CG1 4.4Å; P423-I429 HydrophobicContact CG-CG1 4Å; I429-E431 VanDerWaalsContact C-N 3.28Å; I429-E431 PolarHBondContact O-N 3.5Å; I429-W442 HydrophobicContact CG2-CE3 4.46Å; I429-W442 HydrophobicContact CG2-CH2 3.82Å; I429-W442 HydrophobicContact CG2-CZ3 3.74Å
430	V	92.9	Very high	90.9	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.237	C	C	.	.			trans	-76.6	68.9	-177.1	-173.9	0	0	0	0	112.4	M400 I414 S417 V418 Y432 L440 W442	M400-V430 WeakPolarHBondContact O-CG2 3.21Å; I414-V430 HydrophobicContact CG2-CG2 4.33Å; S417-V430 WeakPolarHBondContact OG-CG2 3.31Å; V418-V430 HydrophobicContact CG2-CB 3.86Å; V418-V430 HydrophobicContact CG2-CG1 3.47Å; V418-V430 VanDerWaalsContact CG2-CG1 3.47Å; V418-V430 HydrophobicContact CG2-CG2 4.22Å; V430-Y432 VanDerWaalsContact CG1-O 3.28Å; V430-Y432 WeakPolarHBondContact CG1-O 3.41Å; V430-Y432 PolarHBondContact O-N 3.39Å; V430-Y432 VanDerWaalsContact O-N 3.11Å; V430-L440 WeakPolarHBondContact O-CD1 3.41Å; V430-W442 WeakPolarHBondContact O-CH2 3.4Å
431	E	91.4	Very high	90.3	Very high	45 Å²	45	48.6 Å²	48.6	21%	0.21	27%	0.265	C	S	.	.			trans	-60.7	-24.6	-173.7	-65.4	175.1	118	0	0	115.2	R396 M400 I429 K439 L440	R396-E431 IonicContact CZ-OE2 2.61Å; R396-E431 IonicContact NE-OE2 3.17Å; R396-E431 PolarHBondContact NE-OE2 3.37Å; R396-E431 IonicContact NH2-OE2 2.66Å; R396-E431 PolarHBondContact NH2-OE2 2.91Å; M400-E431 HydrophobicContact SD-CB 3.8Å; M400-E431 HydrophobicContact SD-CG 4.39Å; M400-E431 PolarHBondContact SD-N 2.94Å; I429-E431 VanDerWaalsContact C-N 3.28Å; I429-E431 PolarHBondContact O-N 3.5Å; E431-K439 HydrophobicContact CB-CG 4.12Å; E431-K439 CarbonylContact O-C 3.54Å; E431-K439 WeakPolarHBondContact O-CA 3.4Å; E431-K439 VanDerWaalsContact O-CG 3.29Å; E431-K439 WeakPolarHBondContact O-CG 3.16Å; E431-K439 WeakPolarHBondContact OE1-CE 3.48Å; E431-K439 IonicContact OE1-NZ 3.73Å; E431-K439 PolarHBondContact OE1-NZ 3.45Å; E431-L440 PolarHBondContact O-N 3.27Å
432	Y	91.6	Very high	89.3	Confident	23 Å²	23	51 Å²	51	9%	0.09	27%	0.269	C	S	.	.			trans	-129.5	143.7	177.7	-59.4	-95	0	0	0	109.9	R56 L389 V392 M400 W401 V430 K439	R56-Y432 PolarHBondContact NH2-OH 3.37Å; L389-Y432 VanDerWaalsContact CD2-CB 3.48Å; L389-Y432 HydrophobicContact CD2-CD1 4.47Å; L389-Y432 HydrophobicContact CD2-CG 4.26Å; V392-Y432 HydrophobicContact CG2-CD1 4.35Å; V392-Y432 HydrophobicContact CG2-CD2 3.93Å; V392-Y432 HydrophobicContact CG2-CE1 4.34Å; V392-Y432 HydrophobicContact CG2-CE2 3.92Å; V392-Y432 HydrophobicContact CG2-CG 4.16Å; M400-Y432 HydrophobicContact CE-CD2 3.98Å; M400-Y432 HydrophobicContact SD-CD2 4.21Å; W401-Y432 PolarHBondContact NE1-O 3.48Å; V430-Y432 VanDerWaalsContact CG1-O 3.28Å; V430-Y432 WeakPolarHBondContact CG1-O 3.41Å; V430-Y432 PolarHBondContact O-N 3.39Å; V430-Y432 VanDerWaalsContact O-N 3.11Å; Y432-K439 HydrophobicContact CE1-CB 4.2Å
433	F	92.5	Very high	87.6	Confident	4 Å²	4	47.2 Å²	47.2	2%	0.018	26%	0.264	C	S	.	.			trans	-136.6	137.6	-175.3	-178.2	-123	0	0	0	109.1	F415 V418 W435 S436 L440 I464 W583	F415-F433 HydrophobicContact CD1-CE2 4.42Å; F415-F433 HydrophobicContact CD1-CZ 4.16Å; F415-F433 AromaticContact CE1-CE2 3.99Å; F415-F433 HydrophobicContact CE1-CE2 3.99Å; F415-F433 AromaticContact CE1-CZ 3.61Å; F415-F433 HydrophobicContact CE1-CZ 3.61Å; F415-F433 HydrophobicContact CZ-CE2 4.08Å; F415-F433 HydrophobicContact CZ-CZ 4.05Å; V418-F433 HydrophobicContact CB-CD2 4.5Å; V418-F433 HydrophobicContact CG1-CD1 4.26Å; V418-F433 HydrophobicContact CG1-CD2 4.13Å; V418-F433 HydrophobicContact CG1-CE1 4.38Å; V418-F433 HydrophobicContact CG1-CE2 4.28Å; V418-F433 HydrophobicContact CG1-CG 4.12Å; V418-F433 HydrophobicContact CG1-CZ 4.38Å; V418-F433 HydrophobicContact CG2-CD2 3.63Å; V418-F433 HydrophobicContact CG2-CE2 3.95Å; V418-F433 HydrophobicContact CG2-CG 4.27Å; F433-W435 HydrophobicContact CD1-CB 4.33Å; F433-W435 HydrophobicContact CD1-CE3 4.14Å; F433-W435 HydrophobicContact CD2-CE3 4.3Å; F433-W435 HydrophobicContact CD2-CZ3 4.5Å; F433-W435 HydrophobicContact CE1-CB 4.14Å; F433-W435 HydrophobicContact CE1-CD2 4.37Å; F433-W435 AromaticContact CE1-CE3 3.54Å; F433-W435 HydrophobicContact CE1-CE3 3.54Å; F433-W435 HydrophobicContact CE1-CZ3 4.34Å; F433-W435 AromaticContact CE2-CE3 3.7Å; F433-W435 HydrophobicContact CE2-CE3 3.7Å; F433-W435 AromaticContact CE2-CZ3 3.71Å; F433-W435 HydrophobicContact CE2-CZ3 3.71Å; F433-W435 HydrophobicContact CZ-CD2 4.41Å; F433-W435 AromaticContact CZ-CE3 3.29Å; F433-W435 HydrophobicContact CZ-CE3 3.29Å; F433-W435 AromaticContact CZ-CZ3 3.63Å; F433-W435 HydrophobicContact CZ-CZ3 3.63Å; F433-W435 PolarHBondContact O-N 2.99Å; F433-W435 VanDerWaalsContact O-N 3.11Å; F433-S436 PolarHBondContact O-N 3.13Å; F433-L440 HydrophobicContact CB-CD1 3.78Å; F433-L440 HydrophobicContact CB-CG 4.33Å; F433-I464 HydrophobicContact CE1-CB 4.41Å; F433-I464 HydrophobicContact CE1-CG2 4.35Å; F433-I464 HydrophobicContact CZ-CG2 4.21Å; F433-W583 HydrophobicContact CE2-CZ3 4.49Å
434	P	92.3	Very high	85.9	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-38	-171.6	-30	36.8	0	0	0	114.8	R350 W401 S436 Q579 M582 W583	R350-P434 PolarHBondContact NH1-O 3.04Å; W401-P434 HydrophobicContact CH2-CG 3.78Å; W401-P434 HydrophobicContact CZ2-CG 3.94Å; W401-P434 HydrophobicContact CZ3-CG 4.23Å; P434-S436 VanDerWaalsContact C-N 3.26Å; P434-S436 PolarHBondContact O-N 3.19Å; P434-Q579 HydrophobicContact CB-CB 3.75Å; P434-Q579 HydrophobicContact CB-CG 4.28Å; P434-Q579 PolarHBondContact O-OE1 2.96Å; P434-M582 HydrophobicContact CB-CE 3.55Å; P434-M582 HydrophobicContact CG-CE 3.73Å; P434-W583 HydrophobicContact CG-CD2 4.32Å; P434-W583 HydrophobicContact CG-CE3 3.68Å; P434-W583 HydrophobicContact CG-CZ3 4.11Å
435	W	94.7	Very high	84	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.015	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	12.9	179.3	-57.5	-91.5	0	0	0	113.9	N349 R350 F415 F433 I464 F503 W572 A576 Q579 W580 W583	N349-W435 VanDerWaalsContact CB-O 3.28Å; N349-W435 WeakPolarHBondContact CB-O 3.11Å; R350-W435 VanDerWaalsContact CG-O 3.31Å; R350-W435 WeakPolarHBondContact CG-O 3.17Å; F415-W435 HydrophobicContact CE1-CZ3 4.46Å; F415-W435 HydrophobicContact CZ-CH2 4.22Å; F415-W435 AromaticContact CZ-CZ3 3.86Å; F415-W435 HydrophobicContact CZ-CZ3 3.86Å; F433-W435 HydrophobicContact CD1-CB 4.33Å; F433-W435 HydrophobicContact CD1-CE3 4.14Å; F433-W435 HydrophobicContact CD2-CE3 4.3Å; F433-W435 HydrophobicContact CD2-CZ3 4.5Å; F433-W435 HydrophobicContact CE1-CB 4.14Å; F433-W435 HydrophobicContact CE1-CD2 4.37Å; F433-W435 AromaticContact CE1-CE3 3.54Å; F433-W435 HydrophobicContact CE1-CE3 3.54Å; F433-W435 HydrophobicContact CE1-CZ3 4.34Å; F433-W435 AromaticContact CE2-CE3 3.7Å; F433-W435 HydrophobicContact CE2-CE3 3.7Å; F433-W435 AromaticContact CE2-CZ3 3.71Å; F433-W435 HydrophobicContact CE2-CZ3 3.71Å; F433-W435 HydrophobicContact CZ-CD2 4.41Å; F433-W435 AromaticContact CZ-CE3 3.29Å; F433-W435 HydrophobicContact CZ-CE3 3.29Å; F433-W435 AromaticContact CZ-CZ3 3.63Å; F433-W435 HydrophobicContact CZ-CZ3 3.63Å; F433-W435 PolarHBondContact O-N 2.99Å; F433-W435 VanDerWaalsContact O-N 3.11Å; W435-I464 HydrophobicContact CB-CB 3.97Å; W435-I464 HydrophobicContact CB-CG2 4.4Å; W435-I464 HydrophobicContact CD2-CB 4.03Å; W435-I464 HydrophobicContact CD2-CG2 3.47Å; W435-I464 VanDerWaalsContact CD2-CG2 3.47Å; W435-I464 HydrophobicContact CE3-CB 4.42Å; W435-I464 HydrophobicContact CE3-CG2 3.63Å; W435-I464 HydrophobicContact CG-CB 3.83Å; W435-I464 HydrophobicContact CG-CD1 4.14Å; W435-I464 HydrophobicContact CG-CG2 3.82Å; W435-I464 HydrophobicContact CH2-CG2 4.44Å; W435-I464 HydrophobicContact CZ2-CG2 4.33Å; W435-I464 HydrophobicContact CZ3-CG2 4.11Å; W435-F503 AromaticContact CE2-CE2 3.68Å; W435-F503 HydrophobicContact CZ2-CD2 4.16Å; W435-F503 AromaticContact CZ2-CE2 3.56Å; W435-F503 HydrophobicContact CZ2-CE2 3.56Å; W435-F503 HydrophobicContact CZ2-CZ 4.33Å; W435-F503 AromaticContact NE1-CE2 3.62Å; W435-W572 AromaticContact CD1-CZ2 3.98Å; W435-A576 PolarHBondContact NE1-O 3.35Å; W435-Q579 HydrophobicContact CD2-CB 4.16Å; W435-Q579 HydrophobicContact CD2-CG 4.36Å; W435-Q579 HydrophobicContact CG-CB 4.47Å; W435-Q579 HydrophobicContact CG-CG 4.16Å; W435-Q579 HydrophobicContact CZ2-CB 3.8Å; W435-W580 AromaticContact CH2-CD2 3.69Å; W435-W580 HydrophobicContact CH2-CD2 3.69Å; W435-W580 AromaticContact CH2-CE2 3.48Å; W435-W580 VanDerWaalsContact CH2-CE2 3.48Å; W435-W580 AromaticContact CH2-CE3 3.82Å; W435-W580 HydrophobicContact CH2-CE3 3.82Å; W435-W580 HydrophobicContact CH2-CG 4.44Å; W435-W580 AromaticContact CH2-CH2 3.63Å; W435-W580 HydrophobicContact CH2-CH2 3.63Å; W435-W580 AromaticContact CH2-CZ2 3.46Å; W435-W580 HydrophobicContact CH2-CZ2 3.46Å; W435-W580 VanDerWaalsContact CH2-CZ2 3.46Å; W435-W580 AromaticContact CH2-CZ3 3.81Å; W435-W580 HydrophobicContact CH2-CZ3 3.81Å; W435-W580 AromaticContact CZ2-CD2 3.81Å; W435-W580 HydrophobicContact CZ2-CD2 3.81Å; W435-W580 AromaticContact CZ2-CE2 3.49Å; W435-W580 VanDerWaalsContact CZ2-CE2 3.49Å; W435-W580 HydrophobicContact CZ2-CE3 4.39Å; W435-W580 HydrophobicContact CZ2-CG 4.14Å; W435-W580 HydrophobicContact CZ2-CH2 4.46Å; W435-W580 AromaticContact CZ2-CZ2 3.85Å; W435-W580 HydrophobicContact CZ2-CZ2 3.85Å; W435-W580 AromaticContact CZ2-NE1 3.61Å; W435-W580 HydrophobicContact CZ3-CH2 4.43Å; W435-W580 HydrophobicContact CZ3-CZ2 4.5Å; W435-W583 HydrophobicContact CH2-CE3 4.37Å; W435-W583 HydrophobicContact CH2-CZ3 4.42Å; W435-W583 HydrophobicContact CZ3-CE3 4.3Å; W435-W583 HydrophobicContact CZ3-CZ3 4.05Å
436	S	91.4	Very high	81.9	Confident	9 Å²	9	47.8 Å²	47.8	6%	0.063	26%	0.26	C	S	.	.			trans	-127.4	124.4	176.8	-178.8	0	0	0	0	111.7	N349 F433 P434 S438	N349-S436 WeakPolarHBondContact O-CA 3.42Å; F433-S436 PolarHBondContact O-N 3.13Å; P434-S436 VanDerWaalsContact C-N 3.26Å; P434-S436 PolarHBondContact O-N 3.19Å; S436-S438 PolarHBondContact OG-O 3.17Å
437	E	88.5	Confident	80.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	-78.9	-27.3	176.8	-80.8	172.9	-178.3	0	0	114.1	N349 R350 P351 K352 A353 Y383 S388	N349-E437 PolarHBondContact O-N 3.22Å; R350-E437 VanDerWaalsContact C-OE2 3.27Å; R350-E437 WeakPolarHBondContact CA-OE1 3.36Å; R350-E437 HydrophobicContact CB-CG 3.98Å; R350-E437 WeakPolarHBondContact CB-OE1 3.26Å; R350-E437 HydrophobicContact CG-CG 4.03Å; P351-E437 VanDerWaalsContact CD-OE2 3.29Å; P351-E437 WeakPolarHBondContact CD-OE2 3.25Å; K352-E437 WeakPolarHBondContact CA-OE2 3.5Å; K352-E437 WeakPolarHBondContact CB-OE2 3.43Å; K352-E437 WeakPolarHBondContact CE-OE2 3.43Å; K352-E437 WeakPolarHBondContact CG-OE2 3.43Å; K352-E437 PolarHBondContact N-OE1 2.97Å; K352-E437 PolarHBondContact N-OE2 2.97Å; A353-E437 WeakPolarHBondContact CA-OE1 3.13Å; A353-E437 WeakPolarHBondContact CB-OE1 3.34Å; A353-E437 PolarHBondContact N-OE1 3.34Å; Y383-E437 WeakPolarHBondContact OH-CG 3.34Å; Y383-E437 PolarHBondContact OH-OE1 2.84Å; S388-E437 VanDerWaalsContact CB-O 3.27Å; S388-E437 WeakPolarHBondContact CB-O 3.5Å; S388-E437 PolarHBondContact OG-O 2.87Å
438	S	83.1	Confident	78.6	Confident	53 Å²	53	49.6 Å²	49.6	37%	0.371	26%	0.259	S	S	.	.	S	Bend	trans	-96.1	154.9	178.3	-58.3	0	0	0	0	110.4	S436 L440	S436-S438 PolarHBondContact OG-O 3.17Å; S438-L440 PolarHBondContact O-N 3.28Å
439	K	86.1	Confident	77	Confident	99 Å²	99	52.5 Å²	52.5	43%	0.43	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-55.2	129.7	166.1	-170.2	-174.1	-176.9	178.2	0	108.2	E431 Y432 K441	E431-K439 HydrophobicContact CB-CG 4.12Å; E431-K439 CarbonylContact O-C 3.54Å; E431-K439 WeakPolarHBondContact O-CA 3.4Å; E431-K439 VanDerWaalsContact O-CG 3.29Å; E431-K439 WeakPolarHBondContact O-CG 3.16Å; E431-K439 WeakPolarHBondContact OE1-CE 3.48Å; E431-K439 IonicContact OE1-NZ 3.73Å; E431-K439 PolarHBondContact OE1-NZ 3.45Å; Y432-K439 HydrophobicContact CE1-CB 4.2Å; K439-K441 PolarHBondContact O-N 2.88Å
440	L	87	Confident	76.2	Confident	27 Å²	27	52.2 Å²	52.2	14%	0.141	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-61.3	132.9	175.7	-66.2	-177.5	0	0	0	109.7	V418 V430 E431 F433 S438 W442	V418-L440 HydrophobicContact CG1-CD1 3.88Å; V430-L440 WeakPolarHBondContact O-CD1 3.41Å; E431-L440 PolarHBondContact O-N 3.27Å; F433-L440 HydrophobicContact CB-CD1 3.78Å; F433-L440 HydrophobicContact CB-CG 4.33Å; S438-L440 PolarHBondContact O-N 3.28Å; L440-W442 HydrophobicContact CB-CD2 4.37Å; L440-W442 HydrophobicContact CB-CE3 4.17Å; L440-W442 HydrophobicContact CB-CH2 3.34Å; L440-W442 HydrophobicContact CB-CZ2 3.5Å; L440-W442 VanDerWaalsContact CB-CZ2 3.5Å; L440-W442 HydrophobicContact CB-CZ3 3.66Å; L440-W442 HydrophobicContact CD1-CH2 3.9Å; L440-W442 HydrophobicContact CD1-CZ2 3.5Å; L440-W442 HydrophobicContact CG-CH2 4.24Å; L440-W442 HydrophobicContact CG-CZ2 4.15Å; L440-W442 WeakPolarHBondContact O-CZ3 3.27Å
441	K	76.4	Confident	75.9	Confident	148 Å²	148	58.2 Å²	58.2	64%	0.643	30%	0.303	S	S	*	.			trans	-112.8	122.1	177	-65	178.6	-177.2	173.7	0	106.9	E63 K439	E63-K441 IonicContact OE1-NZ 3.09Å; K439-K441 PolarHBondContact O-N 2.88Å
442	W	67.5	Low	75.9	Confident	67 Å²	67	57.8 Å²	57.8	25%	0.254	30%	0.303	S	S	.	.	S	Bend	trans	-113.4	148.9	176.6	-62.6	-95.6	0	0	0	112.1	V418 G421 I429 V430 L440 I444	V418-W442 PolarHBondContact O-NE1 3.44Å; G421-W442 VanDerWaalsContact CA-CD1 3.44Å; G421-W442 VanDerWaalsContact CA-CE2 3.48Å; I429-W442 HydrophobicContact CG2-CE3 4.46Å; I429-W442 HydrophobicContact CG2-CH2 3.82Å; I429-W442 HydrophobicContact CG2-CZ3 3.74Å; V430-W442 WeakPolarHBondContact O-CH2 3.4Å; L440-W442 HydrophobicContact CB-CD2 4.37Å; L440-W442 HydrophobicContact CB-CE3 4.17Å; L440-W442 HydrophobicContact CB-CH2 3.34Å; L440-W442 HydrophobicContact CB-CZ2 3.5Å; L440-W442 VanDerWaalsContact CB-CZ2 3.5Å; L440-W442 HydrophobicContact CB-CZ3 3.66Å; L440-W442 HydrophobicContact CD1-CH2 3.9Å; L440-W442 HydrophobicContact CD1-CZ2 3.5Å; L440-W442 HydrophobicContact CG-CH2 4.24Å; L440-W442 HydrophobicContact CG-CZ2 4.15Å; L440-W442 WeakPolarHBondContact O-CZ3 3.27Å; W442-I444 HydrophobicContact CG-CG1 4.47Å
443	P	57	Low	75.9	Confident	70 Å²	70	57.5 Å²	57.5	46%	0.455	30%	0.302	S	S	.	.	S	Bend	cis	-59.4	150.7	-8.8	24.6	-29.4	0	0	0	110.1	L445	P443-L445 HydrophobicContact CG-CD2 3.94Å; P443-L445 HydrophobicContact CG-CG 3.97Å; P443-L445 PolarHBondContact O-N 2.94Å
444	I	57.6	Low	75.8	Confident	56 Å²	56	58 Å²	58	29%	0.287	31%	0.305	S	S	.	.			trans	-72.3	78.2	177.4	-61.8	168.3	0	0	0	106	W442 Q447 W466	W442-I444 HydrophobicContact CG-CG1 4.47Å; I444-Q447 PolarHBondContact O-N 3.44Å; I444-W466 HydrophobicContact CD1-CH2 3.99Å; I444-W466 HydrophobicContact CD1-CZ2 3.54Å
445	L	52	Low	75.9	Confident	128 Å²	128	61.2 Å²	61.2	67%	0.67	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	151.3	-179.1	-75	178.2	0	0	0	110.1	P443	P443-L445 HydrophobicContact CG-CD2 3.94Å; P443-L445 HydrophobicContact CG-CG 3.97Å; P443-L445 PolarHBondContact O-N 2.94Å
446	P	48.3	Very low	75.9	Confident	48 Å²	48	61 Å²	61	31%	0.312	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	cis	-86.8	6.7	10.9	32.2	-33.6	0	0	0	115.8	F485	P446-F485 HydrophobicContact CG-CD2 3.74Å; P446-F485 HydrophobicContact CG-CE2 3.69Å; P446-F485 HydrophobicContact CG-CG 4.3Å; P446-F485 HydrophobicContact CG-CZ 4.24Å
447	Q	58.7	Low	76	Confident	81 Å²	81	60.6 Å²	60.6	38%	0.379	31%	0.314	S	S	.	.	S	Bend	trans	-109.9	132.1	-169.5	-57.2	-59.7	-26.8	0	0	112.7	I444 A468	I444-Q447 PolarHBondContact O-N 3.44Å; Q447-A468 HydrophobicContact CG-CB 4.22Å
448	P	55.5	Low	76.3	Confident	103 Å²	103	63.3 Å²	63.3	67%	0.669	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-60.3	151.1	171.9	24.3	-30.5	0	0	0	110.6	N450	P448-N450 PolarHBondContact O-N 3.12Å; P448-N450 VanDerWaalsContact O-N 3.15Å
449	I	60.9	Low	76.9	Confident	70 Å²	70	64.1 Å²	64.1	36%	0.359	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-57.1	120.5	176.3	-65.1	160.2	0	0	0	108.3	S420 L454	S420-I449 WeakPolarHBondContact O-CD1 3.34Å; I449-L454 HydrophobicContact CG2-CD1 3.8Å; I449-L454 HydrophobicContact CG2-CD2 3.87Å; I449-L454 HydrophobicContact CG2-CG 3.76Å
450	N	73.9	Confident	77.3	Confident	61 Å²	61	60.2 Å²	60.2	33%	0.326	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-86.6	129	175.8	-177.8	-8.5	0	0	0	109.3	P448 D452 L453 L454	P448-N450 PolarHBondContact O-N 3.12Å; P448-N450 VanDerWaalsContact O-N 3.15Å; N450-D452 PolarHBondContact ND2-OD2 2.92Å; N450-D452 PolarHBondContact O-N 3.47Å; N450-D452 VanDerWaalsContact O-N 3.12Å; N450-D452 WeakPolarHBondContact OD1-CB 3.35Å; N450-D452 PolarHBondContact OD1-N 2.86Å; N450-D452 PolarHBondContact OD1-OD2 2.99Å; N450-L453 HydrophobicContact CB-CD1 4.17Å; N450-L453 HydrophobicContact CB-CG 4.24Å; N450-L453 WeakPolarHBondContact O-CB 3.42Å; N450-L453 PolarHBondContact O-N 2.87Å; N450-L454 PolarHBondContact O-N 3.01Å
451	D	87.7	Confident	77.7	Confident	127 Å²	127	59 Å²	59	68%	0.679	31%	0.314	S	S	*	.	H	α-helix	trans	-53	-28.6	173.5	-72.6	-27.6	0	0	0	112.6	L454 W455	D451-L454 WeakPolarHBondContact O-CB 3.42Å; D451-L454 PolarHBondContact O-N 3.44Å; D451-W455 WeakPolarHBondContact O-CB 3.38Å; D451-W455 PolarHBondContact O-N 2.77Å
452	D	90.6	Very high	78.7	Confident	36 Å²	36	52 Å²	52	19%	0.193	28%	0.284	C	S	.	.	H	α-helix	trans	-68.2	-36.5	175.1	-64.9	-44.4	0	0	0	113.3	N450 L454 W455 C456 F621 K625	N450-D452 PolarHBondContact ND2-OD2 2.92Å; N450-D452 PolarHBondContact O-N 3.47Å; N450-D452 VanDerWaalsContact O-N 3.12Å; N450-D452 WeakPolarHBondContact OD1-CB 3.35Å; N450-D452 PolarHBondContact OD1-N 2.86Å; N450-D452 PolarHBondContact OD1-OD2 2.99Å; D452-L454 VanDerWaalsContact C-N 3.3Å; D452-W455 PolarHBondContact O-N 3.38Å; D452-C456 PolarHBondContact O-N 2.86Å; D452-C456 PolarHBondContact O-SG 2.83Å; D452-F621 HydrophobicContact CB-CB 3.81Å; D452-F621 HydrophobicContact CB-CD1 3.46Å; D452-F621 VanDerWaalsContact CB-CD1 3.46Å; D452-F621 HydrophobicContact CB-CD2 3.57Å; D452-F621 HydrophobicContact CB-CE1 3.8Å; D452-F621 HydrophobicContact CB-CE2 3.92Å; D452-F621 HydrophobicContact CB-CG 3.32Å; D452-F621 HydrophobicContact CB-CZ 4.02Å; D452-F621 WeakPolarHBondContact OD2-CD2 3.44Å; D452-K625 WeakPolarHBondContact OD1-CE 3.26Å; D452-K625 IonicContact OD1-NZ 2.63Å; D452-K625 PolarHBondContact OD1-NZ 3.06Å
453	L	91.6	Very high	80.1	Confident	16 Å²	16	48.8 Å²	48.8	8%	0.084	27%	0.272	C	S	.	.	H	α-helix	trans	-67.7	-37.7	175.1	-68.6	169.2	0	0	0	110.4	V419 N450 C456 A457 L463 W466 L500 F621	V419-L453 HydrophobicContact CG1-CB 3.66Å; N450-L453 HydrophobicContact CB-CD1 4.17Å; N450-L453 HydrophobicContact CB-CG 4.24Å; N450-L453 WeakPolarHBondContact O-CB 3.42Å; N450-L453 PolarHBondContact O-N 2.87Å; L453-C456 PolarHBondContact O-N 2.9Å; L453-A457 PolarHBondContact O-N 2.91Å; L453-L463 HydrophobicContact CB-CD1 4.27Å; L453-L463 HydrophobicContact CD2-CD1 3.8Å; L453-W466 HydrophobicContact CD1-CG 4.5Å; L453-W466 HydrophobicContact CD2-CB 4.49Å; L453-W466 HydrophobicContact CD2-CG 4.15Å; L453-L500 HydrophobicContact CD2-CD2 3.95Å; L453-F621 HydrophobicContact CD2-CE1 3.84Å; L453-F621 HydrophobicContact CD2-CZ 3.93Å; L453-F621 HydrophobicContact CG-CE1 4.22Å; L453-F621 HydrophobicContact CG-CZ 4.11Å
454	L	92.2	Very high	81.9	Confident	14 Å²	14	45.5 Å²	45.5	7%	0.073	25%	0.25	C	S	.	.	H	α-helix	trans	-64.2	-43.4	173.5	-62.5	-177.8	0	0	0	111.1	F416 V419 I449 N450 D451 D452 C456 A457 S458	F416-L454 HydrophobicContact CD2-CB 4.24Å; F416-L454 HydrophobicContact CD2-CD2 4.16Å; F416-L454 HydrophobicContact CE2-CB 3.82Å; F416-L454 HydrophobicContact CE2-CD1 4.33Å; F416-L454 HydrophobicContact CE2-CD2 3.93Å; F416-L454 HydrophobicContact CE2-CG 4.25Å; F416-L454 HydrophobicContact CZ-CD1 4.42Å; F416-L454 HydrophobicContact CZ-CD2 4.24Å; V419-L454 HydrophobicContact CB-CD2 4.18Å; V419-L454 HydrophobicContact CG1-CD2 3.74Å; I449-L454 HydrophobicContact CG2-CD1 3.8Å; I449-L454 HydrophobicContact CG2-CD2 3.87Å; I449-L454 HydrophobicContact CG2-CG 3.76Å; N450-L454 PolarHBondContact O-N 3.01Å; D451-L454 WeakPolarHBondContact O-CB 3.42Å; D451-L454 PolarHBondContact O-N 3.44Å; D452-L454 VanDerWaalsContact C-N 3.3Å; L454-C456 PolarHBondContact O-N 3.03Å; L454-A457 PolarHBondContact O-N 2.87Å; L454-S458 PolarHBondContact O-N 3.22Å; L454-S458 PolarHBondContact O-OG 2.67Å
455	W	93.8	Very high	83.7	Confident	69 Å²	69	43 Å²	43	26%	0.261	24%	0.237	S	C	.	.	H	α-helix	trans	-58.9	-46.6	174.7	177.3	89.1	0	0	0	111.4	D451 D452 A457 S458 N459 I461 L624 K625 I628	D451-W455 WeakPolarHBondContact O-CB 3.38Å; D451-W455 PolarHBondContact O-N 2.77Å; D452-W455 PolarHBondContact O-N 3.38Å; W455-A457 PolarHBondContact O-N 3.47Å; W455-S458 PolarHBondContact O-N 2.83Å; W455-N459 HydrophobicContact CZ2-CB 4.37Å; W455-N459 PolarHBondContact NE1-ND2 3.09Å; W455-N459 PolarHBondContact O-N 2.87Å; W455-N459 VanDerWaalsContact O-N 3.14Å; W455-N459 PolarHBondContact O-ND2 2.73Å; W455-I461 HydrophobicContact CH2-CD1 4.46Å; W455-I461 HydrophobicContact CZ3-CD1 3.91Å; W455-L624 HydrophobicContact CZ3-CB 4.09Å; W455-K625 HydrophobicContact CD2-CG 4.13Å; W455-K625 HydrophobicContact CE3-CG 4.03Å; W455-K625 VanDerWaalsContact CH2-CA 3.46Å; W455-K625 HydrophobicContact CH2-CB 4.05Å; W455-K625 HydrophobicContact CH2-CG 3.5Å; W455-K625 VanDerWaalsContact CH2-CG 3.5Å; W455-K625 HydrophobicContact CZ2-CB 4.24Å; W455-K625 HydrophobicContact CZ2-CG 3.58Å; W455-K625 HydrophobicContact CZ3-CG 3.72Å; W455-I628 HydrophobicContact CH2-CB 4.23Å; W455-I628 HydrophobicContact CH2-CD1 3.46Å; W455-I628 VanDerWaalsContact CH2-CD1 3.46Å; W455-I628 HydrophobicContact CH2-CG1 3.92Å; W455-I628 HydrophobicContact CZ2-CB 4.45Å; W455-I628 HydrophobicContact CZ2-CD1 3.91Å; W455-I628 HydrophobicContact CZ2-CG1 4.49Å; W455-I628 HydrophobicContact CZ3-CD1 4.26Å
456	C	94.8	Very high	85.6	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-55.6	-51.7	175.7	-75.1	0	0	0	0	111.4	D452 L453 L454 S458 N459 I461 L463	D452-C456 PolarHBondContact O-N 2.86Å; D452-C456 PolarHBondContact O-SG 2.83Å; L453-C456 PolarHBondContact O-N 2.9Å; L454-C456 PolarHBondContact O-N 3.03Å; C456-S458 VanDerWaalsContact C-N 3.25Å; C456-S458 PolarHBondContact O-N 3.01Å; C456-N459 PolarHBondContact O-N 3.23Å; C456-I461 HydrophobicContact CB-CB 3.91Å; C456-I461 HydrophobicContact CB-CD1 4.26Å; C456-I461 HydrophobicContact CB-CG2 4.02Å; C456-I461 WeakPolarHBondContact O-CB 3.15Å; C456-I461 PolarHBondContact O-N 2.87Å; C456-I461 VanDerWaalsContact O-N 3.15Å; C456-L463 HydrophobicContact CB-CD1 3.77Å; C456-L463 HydrophobicContact CB-CG 4.26Å
457	A	93.2	Very high	87.6	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.8	-35.8	-179	0	0	0	0	0	112.7	N412 F415 F416 V419 L453 L454 W455 N459	N412-A457 WeakPolarHBondContact CA-O 3.27Å; N412-A457 VanDerWaalsContact CB-O 3.27Å; N412-A457 WeakPolarHBondContact CB-O 3.39Å; F415-A457 HydrophobicContact CB-CB 4.19Å; F416-A457 HydrophobicContact CB-CB 4.27Å; V419-A457 HydrophobicContact CG2-CB 4.27Å; L453-A457 PolarHBondContact O-N 2.91Å; L454-A457 PolarHBondContact O-N 2.87Å; W455-A457 PolarHBondContact O-N 3.47Å; A457-N459 VanDerWaalsContact C-N 3.34Å
458	S	94.1	Very high	89	Confident	56 Å²	56	35.4 Å²	35.4	39%	0.392	20%	0.199	S	C	.	.	H	α-helix	trans	-76.4	-14.9	176.7	-66.3	0	0	0	0	114.8	F416 L454 W455 C456	F416-S458 WeakPolarHBondContact CD2-OG 3.03Å; L454-S458 PolarHBondContact O-N 3.22Å; L454-S458 PolarHBondContact O-OG 2.67Å; W455-S458 PolarHBondContact O-N 2.83Å; C456-S458 VanDerWaalsContact C-N 3.25Å; C456-S458 PolarHBondContact O-N 3.01Å
459	N	95.4	Very high	90.7	Very high	70 Å²	70	32 Å²	32	37%	0.374	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	31.8	-173.5	-71.7	-91.8	0	0	0	113.1	W455 C456 A457 I461 I628	W455-N459 HydrophobicContact CZ2-CB 4.37Å; W455-N459 PolarHBondContact NE1-ND2 3.09Å; W455-N459 PolarHBondContact O-N 2.87Å; W455-N459 VanDerWaalsContact O-N 3.14Å; W455-N459 PolarHBondContact O-ND2 2.73Å; C456-N459 PolarHBondContact O-N 3.23Å; A457-N459 VanDerWaalsContact C-N 3.34Å; N459-I461 VanDerWaalsContact C-N 3.28Å; N459-I461 PolarHBondContact O-N 2.9Å; N459-I628 HydrophobicContact CB-CD1 3.51Å; N459-I628 WeakPolarHBondContact O-CD1 3.39Å
460	G	94.3	Very high	92	Very high	18 Å²	18	29.2 Å²	29.2	19%	0.186	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	10.4	174.2	0	0	0	0	0	115.3	N412 L462	N412-G460 PolarHBondContact ND2-N 3.43Å; N412-G460 WeakPolarHBondContact OD1-CA 3.44Å; G460-L462 PolarHBondContact O-N 2.65Å
461	I	96.9	Very high	92.8	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	17%	0.172	C	C	.	.			trans	-92.4	96.1	172	-58.3	173	0	0	0	107.2	W455 C456 N459 L463 F502 F508 L624 I628	W455-I461 HydrophobicContact CH2-CD1 4.46Å; W455-I461 HydrophobicContact CZ3-CD1 3.91Å; C456-I461 HydrophobicContact CB-CB 3.91Å; C456-I461 HydrophobicContact CB-CD1 4.26Å; C456-I461 HydrophobicContact CB-CG2 4.02Å; C456-I461 WeakPolarHBondContact O-CB 3.15Å; C456-I461 PolarHBondContact O-N 2.87Å; C456-I461 VanDerWaalsContact O-N 3.15Å; N459-I461 VanDerWaalsContact C-N 3.28Å; N459-I461 PolarHBondContact O-N 2.9Å; I461-L463 HydrophobicContact CG2-CD2 4.38Å; I461-L463 HydrophobicContact CG2-CG 4.44Å; I461-L463 PolarHBondContact O-N 3.06Å; I461-F502 HydrophobicContact CG2-CB 3.93Å; I461-F502 HydrophobicContact CG2-CD1 3.95Å; I461-F502 HydrophobicContact CG2-CD2 3.58Å; I461-F502 HydrophobicContact CG2-CE1 4.32Å; I461-F502 HydrophobicContact CG2-CE2 3.98Å; I461-F502 HydrophobicContact CG2-CG 3.55Å; I461-F502 HydrophobicContact CG2-CZ 4.33Å; I461-F508 HydrophobicContact CD1-CE1 4.44Å; I461-F508 HydrophobicContact CD1-CZ 3.99Å; I461-F508 HydrophobicContact CG1-CE1 4.3Å; I461-F508 HydrophobicContact CG1-CZ 4.25Å; I461-L624 HydrophobicContact CD1-CB 3.93Å; I461-L624 HydrophobicContact CD1-CD1 4.1Å; I461-L624 HydrophobicContact CD1-CD2 4.09Å; I461-L624 HydrophobicContact CD1-CG 4.25Å; I461-I628 HydrophobicContact CD1-CD1 4.06Å; I461-I628 HydrophobicContact CG1-CD1 4.4Å
462	L	97.2	Very high	92.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	79.9	-170	-53.7	-179.7	0	0	0	110.5	M408 I411 F415 G460 F502 F503 W580 I600 Y604	M408-L462 HydrophobicContact CE-CD1 4.31Å; I411-L462 HydrophobicContact CG2-CD2 4.03Å; F415-L462 HydrophobicContact CD1-CB 4.05Å; F415-L462 HydrophobicContact CD1-CD2 4.48Å; F415-L462 HydrophobicContact CD2-CD2 3.91Å; F415-L462 VanDerWaalsContact CE1-C 3.45Å; F415-L462 HydrophobicContact CE1-CB 3.64Å; F415-L462 HydrophobicContact CE2-CB 4.29Å; F415-L462 HydrophobicContact CE2-CD2 4.09Å; F415-L462 HydrophobicContact CG-CD2 4.12Å; F415-L462 HydrophobicContact CZ-CB 3.78Å; F415-L462 HydrophobicContact CZ-CD2 4.44Å; G460-L462 PolarHBondContact O-N 2.65Å; L462-F502 WeakPolarHBondContact O-CA 3.15Å; L462-F502 VanDerWaalsContact O-CB 3.29Å; L462-F502 WeakPolarHBondContact O-CB 3.37Å; L462-F503 HydrophobicContact CB-CB 4.11Å; L462-F503 WeakPolarHBondContact CB-O 3.37Å; L462-F503 HydrophobicContact CD1-CB 4.31Å; L462-F503 PolarHBondContact N-O 2.94Å; L462-F503 PolarHBondContact O-N 3.49Å; L462-W580 HydrophobicContact CD1-CH2 3.79Å; L462-W580 HydrophobicContact CD1-CZ2 3.86Å; L462-I600 HydrophobicContact CD1-CD1 4.4Å; L462-Y604 HydrophobicContact CD1-CD1 3.98Å; L462-Y604 HydrophobicContact CD1-CE1 3.69Å; L462-Y604 HydrophobicContact CG-CE1 4.41Å
463	L	95.7	Very high	92.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	127.8	-176.3	-69.7	166.4	0	0	0	112.9	F415 V419 L453 C456 I461 W466 L500 F502	F415-L463 WeakPolarHBondContact CD1-O 3.42Å; F415-L463 VanDerWaalsContact CE1-O 3.3Å; F415-L463 WeakPolarHBondContact CE1-O 3.25Å; V419-L463 HydrophobicContact CG2-CD1 4.18Å; L453-L463 HydrophobicContact CB-CD1 4.27Å; L453-L463 HydrophobicContact CD2-CD1 3.8Å; C456-L463 HydrophobicContact CB-CD1 3.77Å; C456-L463 HydrophobicContact CB-CG 4.26Å; I461-L463 HydrophobicContact CG2-CD2 4.38Å; I461-L463 HydrophobicContact CG2-CG 4.44Å; I461-L463 PolarHBondContact O-N 3.06Å; L463-W466 HydrophobicContact CB-CE3 4.25Å; L463-W466 HydrophobicContact CB-CZ3 4.3Å; L463-L500 HydrophobicContact CD2-CD2 4.02Å; L463-F502 HydrophobicContact CD2-CB 4.31Å
464	I	95.8	Very high	92.4	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	-23.2	177.1	64.8	168.7	0	0	0	114.1	N349 F415 F433 W435 E501 F503 W572 L606	N349-I464 PolarHBondContact ND2-O 3.44Å; F415-I464 HydrophobicContact CE1-CG2 4.27Å; F433-I464 HydrophobicContact CE1-CB 4.41Å; F433-I464 HydrophobicContact CE1-CG2 4.35Å; F433-I464 HydrophobicContact CZ-CG2 4.21Å; W435-I464 HydrophobicContact CB-CB 3.97Å; W435-I464 HydrophobicContact CB-CG2 4.4Å; W435-I464 HydrophobicContact CD2-CB 4.03Å; W435-I464 HydrophobicContact CD2-CG2 3.47Å; W435-I464 VanDerWaalsContact CD2-CG2 3.47Å; W435-I464 HydrophobicContact CE3-CB 4.42Å; W435-I464 HydrophobicContact CE3-CG2 3.63Å; W435-I464 HydrophobicContact CG-CB 3.83Å; W435-I464 HydrophobicContact CG-CD1 4.14Å; W435-I464 HydrophobicContact CG-CG2 3.82Å; W435-I464 HydrophobicContact CH2-CG2 4.44Å; W435-I464 HydrophobicContact CZ2-CG2 4.33Å; W435-I464 HydrophobicContact CZ3-CG2 4.11Å; I464-E501 HydrophobicContact CD1-CG 4.24Å; I464-E501 WeakPolarHBondContact CD1-OE1 3.42Å; I464-E501 HydrophobicContact CG1-CB 4.14Å; I464-E501 HydrophobicContact CG1-CG 4.11Å; I464-E501 WeakPolarHBondContact CG1-O 3.33Å; I464-E501 PolarHBondContact N-O 3.11Å; I464-F503 HydrophobicContact CD1-CD2 4.39Å; I464-F503 HydrophobicContact CD1-CE2 3.86Å; I464-F503 HydrophobicContact CG2-CD2 4.03Å; I464-F503 HydrophobicContact CG2-CE2 4.14Å; I464-W572 HydrophobicContact CD1-CZ2 4.37Å; I464-L606 HydrophobicContact CD1-CD1 3.81Å
465	N	94.8	Very high	91.8	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	144.3	177.7	-170.8	12.5	0	0	0	110	I345 N349 Y499 E501	I345-N465 PolarHBondContact O-ND2 2.8Å; N349-N465 PolarHBondContact ND2-OD1 3.09Å; N465-Y499 HydrophobicContact CB-CE1 4.31Å; N465-E501 HydrophobicContact CB-CB 3.83Å; N465-E501 WeakPolarHBondContact CB-OE2 3.47Å; N465-E501 PolarHBondContact N-O 3.22Å; N465-E501 PolarHBondContact ND2-OE2 2.76Å; N465-E501 WeakPolarHBondContact O-CB 3.27Å; N465-E501 PolarHBondContact O-N 3.02Å
466	W	93.1	Very high	90.7	Very high	47 Å²	47	27.4 Å²	27.4	18%	0.178	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	161.8	179.1	60.7	96.4	0	0	0	112.6	K348 V419 I444 L453 L463 Y499 L500	K348-W466 PolarHBondContact NZ-O 2.94Å; V419-W466 HydrophobicContact CG2-CH2 4.17Å; I444-W466 HydrophobicContact CD1-CH2 3.99Å; I444-W466 HydrophobicContact CD1-CZ2 3.54Å; L453-W466 HydrophobicContact CD1-CG 4.5Å; L453-W466 HydrophobicContact CD2-CB 4.49Å; L453-W466 HydrophobicContact CD2-CG 4.15Å; L463-W466 HydrophobicContact CB-CE3 4.25Å; L463-W466 HydrophobicContact CB-CZ3 4.3Å; W466-Y499 CarbonylContact C-O 3.49Å; W466-Y499 WeakPolarHBondContact CA-O 3.4Å; W466-Y499 WeakPolarHBondContact CB-O 3.33Å; W466-L500 HydrophobicContact CB-CD2 3.76Å
467	Q	90.1	Very high	88.8	Confident	11 Å²	11	29.3 Å²	29.3	5%	0.051	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	147.7	165.9	94.6	-159.7	-46.3	0	0	110.2	I345 Q496 K497 A498 Y499 V548 T549	I345-Q467 VanDerWaalsContact CD1-NE2 3.3Å; Q467-Q496 HydrophobicContact CG-CB 4.32Å; Q467-K497 VanDerWaalsContact CD-O 3.25Å; Q467-K497 WeakPolarHBondContact CG-O 3.47Å; Q467-K497 PolarHBondContact NE2-O 3.37Å; Q467-A498 WeakPolarHBondContact O-CA 3.3Å; Q467-Y499 PolarHBondContact N-O 2.82Å; Q467-Y499 PolarHBondContact O-N 3.32Å; Q467-V548 PolarHBondContact NE2-O 2.86Å; Q467-T549 PolarHBondContact OE1-OG1 3.47Å
468	A	87.9	Confident	86.9	Confident	40 Å²	40	35.9 Å²	35.9	33%	0.331	21%	0.214	S	C	.	.			trans	-79.7	159.6	174.9	0	0	0	0	0	111.1	Q447 Q496	Q447-A468 HydrophobicContact CG-CB 4.22Å; A468-Q496 WeakPolarHBondContact O-CB 3.25Å; A468-Q496 PolarHBondContact O-OE1 3.43Å
469	A	90.3	Very high	85	Confident	32 Å²	32	39.1 Å²	39.1	26%	0.264	23%	0.227	S	C	.	.			trans	-66.8	133.6	163.9	0	0	0	0	0	109.3	Q496 A498 P617	A469-Q496 WeakPolarHBondContact CA-O 3.3Å; A469-A498 HydrophobicContact CB-CB 4.11Å; A469-P617 HydrophobicContact CB-CB 4.19Å; A469-P617 HydrophobicContact CB-CG 3.93Å
470	V	88.8	Confident	82.7	Confident	11 Å²	11	43.8 Å²	43.8	7%	0.067	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	126.7	177.8	177.4	0	0	0	0	108.3	A473 F485 F495 Q496	V470-A473 HydrophobicContact CG1-CB 3.4Å; V470-F485 HydrophobicContact CG1-CD2 4.47Å; V470-F485 HydrophobicContact CG2-CD2 4.3Å; V470-F485 HydrophobicContact CG2-CE2 3.75Å; V470-F495 CarbonylContact O-C 3.48Å; V470-F495 VanDerWaalsContact O-CA 3.27Å; V470-F495 WeakPolarHBondContact O-CA 3.45Å; V470-Q496 HydrophobicContact CB-CB 3.87Å; V470-Q496 HydrophobicContact CB-CG 4.05Å; V470-Q496 HydrophobicContact CG2-CB 4.08Å; V470-Q496 HydrophobicContact CG2-CG 4.14Å; V470-Q496 PolarHBondContact N-O 2.78Å; V470-Q496 PolarHBondContact O-N 2.9Å
471	N	89.9	Confident	80.7	Confident	85 Å²	85	50.3 Å²	50.3	46%	0.455	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	101.8	176.4	-176.8	21.4	0	0	0	109.1	Y614	N471-Y614 HydrophobicContact CB-CD2 4.3Å
472	K	88.5	Confident	78.6	Confident	128 Å²	128	51.8 Å²	51.8	56%	0.557	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	64.4	45.9	173.4	-162.6	-176.4	173	-172	0	113.6	H493 V494 F495	K472-H493 WeakPolarHBondContact CE-NE2 3.29Å; K472-H493 HydrophobicContact CG-CB 4.02Å; K472-H493 WeakPolarHBondContact CG-CD2 3.28Å; K472-V494 PolarHBondContact N-O 3.1Å; K472-F495 HydrophobicContact CB-CE1 3.72Å; K472-F495 HydrophobicContact CB-CZ 3.95Å; K472-F495 HydrophobicContact CG-CE1 4.4Å; K472-F495 HydrophobicContact CG-CZ 4.15Å
473	A	87.2	Confident	76.3	Confident	21 Å²	21	56.9 Å²	56.9	17%	0.174	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	144.6	168.1	0	0	0	0	0	110.1	V470 S475 F485 H493 V494	V470-A473 HydrophobicContact CG1-CB 3.4Å; A473-S475 PolarHBondContact O-N 3.09Å; A473-F485 HydrophobicContact CB-CD2 4.45Å; A473-H493 CarbonylContact O-C 3.58Å; A473-H493 VanDerWaalsContact O-CA 3.22Å; A473-H493 WeakPolarHBondContact O-CA 3.39Å; A473-V494 PolarHBondContact N-O 3.24Å; A473-V494 PolarHBondContact O-N 2.71Å
474	P	85.7	Confident	74.5	Confident	45 Å²	45	58 Å²	58	29%	0.292	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	132.2	173.6	26.7	-32.9	0	0	0	110.3	G476 T477 F485	P474-G476 PolarHBondContact O-N 3.36Å; P474-T477 HydrophobicContact CB-CG2 4.06Å; P474-T477 HydrophobicContact CG-CG2 4.08Å; P474-F485 PolarHBondContact O-N 3.06Å
475	S	80.5	Confident	73.1	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.334	C	S	.	.	S	Bend	trans	-63.5	-31.9	170.1	40.9	0	0	0	0	111.9	A473 W487 E489 G492	A473-S475 PolarHBondContact O-N 3.09Å; S475-W487 WeakPolarHBondContact CA-O 3.48Å; S475-W487 WeakPolarHBondContact CB-O 3.41Å; S475-E489 PolarHBondContact OG-O 3.02Å; S475-G492 PolarHBondContact N-O 3.3Å; S475-G492 VanDerWaalsContact N-O 3.08Å; S475-G492 WeakPolarHBondContact OG-CA 3.48Å; S475-G492 PolarHBondContact OG-N 3.1Å; S475-G492 PolarHBondContact OG-O 3.12Å
476	G	69.9	Low	72	Confident	5 Å²	5	61.6 Å²	61.6	5%	0.052	36%	0.36	C	S	.	.			trans	-168.3	154.4	166.9	0	0	0	0	0	113	R323 P474	R323-G476 VanDerWaalsContact NH1-CA 3.28Å; P474-G476 PolarHBondContact O-N 3.36Å
477	T	56.2	Low	71.4	Confident	40 Å²	40	59.9 Å²	59.9	25%	0.245	35%	0.353	C	S	.	.			trans	-112.9	172.5	168.5	78.2	0	0	0	0	110.2	R323 P474 D479 D482 L490	R323-T477 PolarHBondContact NH1-O 2.98Å; R323-T477 VanDerWaalsContact NH1-O 3.07Å; P474-T477 HydrophobicContact CB-CG2 4.06Å; P474-T477 HydrophobicContact CG-CG2 4.08Å; T477-D479 VanDerWaalsContact C-N 3.34Å; T477-D479 PolarHBondContact OG1-N 3.4Å; T477-D482 WeakPolarHBondContact CA-OD2 3.32Å; T477-D482 WeakPolarHBondContact CB-OD1 3.11Å; T477-D482 WeakPolarHBondContact CG2-OD1 3.43Å; T477-D482 PolarHBondContact N-OD2 3.29Å; T477-D482 PolarHBondContact OG1-OD1 3.17Å; T477-D482 PolarHBondContact OG1-OD2 3.38Å; T477-D482 VanDerWaalsContact OG1-OD2 3.1Å; T477-L490 WeakPolarHBondContact O-CD2 3.42Å
478	V	52.6	Low	70.9	Confident	139 Å²	139	59.4 Å²	59.4	84%	0.842	35%	0.351	S	S	*	.	S	Bend	trans	-86.7	-12.2	176.3	-166.5	0	0	0	0	110.8
479	D	54.4	Low	70.5	Confident	124 Å²	124	60.3 Å²	60.3	66%	0.663	35%	0.349	S	S	*	.	S	Bend	trans	-77.9	149.2	-176.1	-71.5	-42.8	0	0	0	111.8	T477 D482	T477-D479 VanDerWaalsContact C-N 3.34Å; T477-D479 PolarHBondContact OG1-N 3.4Å; D479-D482 WeakPolarHBondContact O-CB 3.42Å
480	I	48.1	Very low	69.9	Low	168 Å²	168	63.6 Å²	63.6	86%	0.862	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-22.5	-177.8	-112.4	163.5	0	0	0	112.8	D482	I480-D482 PolarHBondContact O-N 3.15Å
481	D	51.9	Low	69.6	Low	154 Å²	154	65.2 Å²	65.2	82%	0.824	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	28.7	178.3	-61.7	-43.3	0	0	0	112
482	D	52.1	Low	69.4	Low	32 Å²	32	61.3 Å²	61.3	17%	0.171	36%	0.36	C	S	.	.			trans	-62.1	118.9	-160	-160.8	-7.9	0	0	0	115.8	R323 T477 D479 I480 S484	R323-D482 IonicContact CZ-OD2 3.39Å; R323-D482 IonicContact NH1-OD2 2.68Å; R323-D482 IonicContact NH2-OD2 3.1Å; R323-D482 PolarHBondContact NH2-OD2 3.34Å; T477-D482 WeakPolarHBondContact CA-OD2 3.32Å; T477-D482 WeakPolarHBondContact CB-OD1 3.11Å; T477-D482 WeakPolarHBondContact CG2-OD1 3.43Å; T477-D482 PolarHBondContact N-OD2 3.29Å; T477-D482 PolarHBondContact OG1-OD1 3.17Å; T477-D482 PolarHBondContact OG1-OD2 3.38Å; T477-D482 VanDerWaalsContact OG1-OD2 3.1Å; D479-D482 WeakPolarHBondContact O-CB 3.42Å; I480-D482 PolarHBondContact O-N 3.15Å; D482-S484 PolarHBondContact O-N 3.38Å; D482-S484 WeakPolarHBondContact OD1-CB 3.22Å; D482-S484 PolarHBondContact OD1-N 2.9Å; D482-S484 WeakPolarHBondContact OD2-CB 3.43Å; D482-S484 PolarHBondContact OD2-OG 3.39Å
483	P	49.3	Very low	69.5	Low	107 Å²	107	58.1 Å²	58.1	70%	0.695	35%	0.347	S	S	*	.			trans	-74.5	30.6	165.8	34.1	-35.5	0	0	0	112.9
484	S	58.1	Low	69.7	Low	23 Å²	23	57.1 Å²	57.1	16%	0.161	34%	0.339	C	S	.	.			trans	-61.7	145.3	179.2	59.9	0	0	0	0	112.4	R323 D482 G486	R323-S484 PolarHBondContact NH2-OG 3.34Å; R323-S484 VanDerWaalsContact NH2-OG 3.12Å; D482-S484 PolarHBondContact O-N 3.38Å; D482-S484 WeakPolarHBondContact OD1-CB 3.22Å; D482-S484 PolarHBondContact OD1-N 2.9Å; D482-S484 WeakPolarHBondContact OD2-CB 3.43Å; D482-S484 PolarHBondContact OD2-OG 3.39Å; S484-G486 PolarHBondContact O-N 3.22Å
485	F	65.4	Low	70	Confident	28 Å²	28	56 Å²	56	12%	0.123	33%	0.329	C	S	.	.			trans	-68.9	-16.2	175.7	-159.3	-88.7	0	0	0	112.7	P446 V470 A473 P474 W487 V494 Q496	P446-F485 HydrophobicContact CG-CD2 3.74Å; P446-F485 HydrophobicContact CG-CE2 3.69Å; P446-F485 HydrophobicContact CG-CG 4.3Å; P446-F485 HydrophobicContact CG-CZ 4.24Å; V470-F485 HydrophobicContact CG1-CD2 4.47Å; V470-F485 HydrophobicContact CG2-CD2 4.3Å; V470-F485 HydrophobicContact CG2-CE2 3.75Å; A473-F485 HydrophobicContact CB-CD2 4.45Å; P474-F485 PolarHBondContact O-N 3.06Å; F485-W487 AromaticContact CD1-CD1 3.58Å; F485-W487 AromaticContact CD1-NE1 3.26Å; F485-W487 VanDerWaalsContact CD1-NE1 3.26Å; F485-W487 AromaticContact CE1-NE1 3.56Å; F485-V494 HydrophobicContact CB-CB 4.23Å; F485-V494 HydrophobicContact CB-CG1 4.45Å; F485-V494 HydrophobicContact CB-CG2 4.27Å; F485-V494 HydrophobicContact CD1-CB 4.33Å; F485-V494 HydrophobicContact CD1-CG1 3.67Å; F485-V494 HydrophobicContact CD1-CG2 4.47Å; F485-V494 HydrophobicContact CD2-CG1 4.47Å; F485-V494 HydrophobicContact CE1-CG1 4.1Å; F485-V494 HydrophobicContact CG-CB 4.21Å; F485-V494 HydrophobicContact CG-CG1 3.9Å; F485-Q496 VanDerWaalsContact CE2-OE1 3.3Å; F485-Q496 HydrophobicContact CZ-CG 4.23Å
486	G	71.2	Confident	70.6	Confident	53 Å²	53	56.3 Å²	56.3	55%	0.546	33%	0.331	S	S	.	.	S	Bend	trans	101.6	2.2	169.3	0	0	0	0	0	115.8	S484	S484-G486 PolarHBondContact O-N 3.22Å
487	W	80.6	Confident	71.8	Confident	12 Å²	12	57.3 Å²	57.3	5%	0.045	33%	0.334	C	S	.	.			trans	-153.1	160.4	175.9	68.6	-83.9	0	0	0	111.8	I325 P327 S475 F485 V494 T549 F553 P561	I325-W487 VanDerWaalsContact O-CZ3 3.26Å; I325-W487 WeakPolarHBondContact O-CZ3 3.19Å; P327-W487 HydrophobicContact CB-CD2 4.36Å; P327-W487 HydrophobicContact CB-CG 4.13Å; P327-W487 HydrophobicContact CG-CD2 3.71Å; P327-W487 HydrophobicContact CG-CE3 4.09Å; P327-W487 HydrophobicContact CG-CG 4.01Å; P327-W487 HydrophobicContact CG-CZ2 4.2Å; P327-W487 HydrophobicContact CG-CZ3 4.46Å; S475-W487 WeakPolarHBondContact CA-O 3.48Å; S475-W487 WeakPolarHBondContact CB-O 3.41Å; F485-W487 AromaticContact CD1-CD1 3.58Å; F485-W487 AromaticContact CD1-NE1 3.26Å; F485-W487 VanDerWaalsContact CD1-NE1 3.26Å; F485-W487 AromaticContact CE1-NE1 3.56Å; W487-V494 HydrophobicContact CD2-CG2 4.33Å; W487-V494 HydrophobicContact CH2-CG2 4.33Å; W487-V494 HydrophobicContact CZ2-CB 4.3Å; W487-V494 HydrophobicContact CZ2-CG1 3.62Å; W487-V494 HydrophobicContact CZ2-CG2 3.74Å; W487-T549 HydrophobicContact CH2-CG2 4.43Å; W487-T549 HydrophobicContact CZ2-CG2 3.64Å; W487-F553 HydrophobicContact CE3-CE2 4.48Å; W487-F553 AromaticContact CE3-CZ 3.86Å; W487-F553 HydrophobicContact CE3-CZ 3.86Å; W487-F553 HydrophobicContact CH2-CE2 4.47Å; W487-F553 HydrophobicContact CH2-CZ 4Å; W487-F553 AromaticContact CZ3-CE2 3.77Å; W487-F553 HydrophobicContact CZ3-CE2 3.77Å; W487-F553 AromaticContact CZ3-CZ 3.39Å; W487-F553 HydrophobicContact CZ3-CZ 3.39Å; W487-P561 HydrophobicContact CH2-CG 3.68Å; W487-P561 HydrophobicContact CZ2-CG 4.03Å; W487-P561 HydrophobicContact CZ3-CG 4.16Å
488	G	80.4	Confident	73.6	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.01	33%	0.327	C	S	.	.	S	Bend	trans	100.9	173.3	-176.2	0	0	0	0	0	113.3	S324	S324-G488 PolarHBondContact O-N 3.39Å
489	E	78.7	Confident	75.6	Confident	59 Å²	59	49.5 Å²	49.5	28%	0.276	29%	0.287	S	S	.	.			trans	-78.7	155.3	179.2	-62.4	-179.8	168.3	0	0	111.5	S475 G491 G492 F553 R557	S475-E489 PolarHBondContact OG-O 3.02Å; E489-G491 PolarHBondContact O-N 3.19Å; E489-G492 PolarHBondContact O-N 3.1Å; E489-F553 HydrophobicContact CB-CB 4.42Å; E489-F553 HydrophobicContact CB-CD1 4.28Å; E489-R557 IonicContact OE1-CZ 2.7Å; E489-R557 IonicContact OE1-NH1 3.43Å; E489-R557 PolarHBondContact OE1-NH1 2.99Å; E489-R557 IonicContact OE1-NH2 3.48Å; E489-R557 PolarHBondContact OE1-NH2 3.08Å; E489-R557 IonicContact OE2-NH2 3.28Å; E489-R557 PolarHBondContact OE2-NH2 2.99Å
490	L	79.5	Confident	77.6	Confident	100 Å²	100	43.7 Å²	43.7	52%	0.524	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	136.5	172.2	-73.8	168.7	0	0	0	110.3	T477 G492 H554	T477-L490 WeakPolarHBondContact O-CD2 3.42Å; L490-G492 VanDerWaalsContact C-N 3.27Å; L490-G492 PolarHBondContact O-N 3.49Å; L490-H554 PolarHBondContact O-CD2 2.89Å
491	G	81	Confident	80	Confident	45 Å²	45	35.8 Å²	35.8	46%	0.464	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	-4.8	-178.9	0	0	0	0	0	115.5	E489	E489-G491 PolarHBondContact O-N 3.19Å
492	G	87.1	Confident	82.2	Confident	3 Å²	3	28.4 Å²	28.4	3%	0.031	18%	0.177	C	C	.	.			trans	-80.5	176.9	172.1	0	0	0	0	0	114.5	S475 E489 L490 I552	S475-G492 PolarHBondContact N-O 3.3Å; S475-G492 VanDerWaalsContact N-O 3.08Å; S475-G492 WeakPolarHBondContact OG-CA 3.48Å; S475-G492 PolarHBondContact OG-N 3.1Å; S475-G492 PolarHBondContact OG-O 3.12Å; E489-G492 PolarHBondContact O-N 3.1Å; L490-G492 VanDerWaalsContact C-N 3.27Å; L490-G492 PolarHBondContact O-N 3.49Å; G492-I552 VanDerWaalsContact CA-O 3.3Å; G492-I552 WeakPolarHBondContact CA-O 3.45Å
493	H	89.6	Confident	84.4	Confident	62 Å²	62	26.9 Å²	26.9	29%	0.287	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.3	178.9	-59.4	81.9	0	0	0	112	K472 A473 F495 G551 I552	K472-H493 WeakPolarHBondContact CE-NE2 3.29Å; K472-H493 HydrophobicContact CG-CB 4.02Å; K472-H493 WeakPolarHBondContact CG-CD2 3.28Å; A473-H493 CarbonylContact O-C 3.58Å; A473-H493 VanDerWaalsContact O-CA 3.22Å; A473-H493 WeakPolarHBondContact O-CA 3.39Å; H493-F495 HydrophobicContact CB-CE2 3.94Å; H493-F495 HydrophobicContact CB-CZ 4.27Å; H493-G551 CarbonylContact O-C 3.41Å; H493-G551 WeakPolarHBondContact O-CA 3.41Å; H493-I552 PolarHBondContact N-O 2.7Å; H493-I552 PolarHBondContact O-N 3.29Å
494	V	90.9	Very high	86.7	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	145.8	178.4	176.7	0	0	0	0	110.4	K472 A473 F485 W487 Q496	K472-V494 PolarHBondContact N-O 3.1Å; A473-V494 PolarHBondContact N-O 3.24Å; A473-V494 PolarHBondContact O-N 2.71Å; F485-V494 HydrophobicContact CB-CB 4.23Å; F485-V494 HydrophobicContact CB-CG1 4.45Å; F485-V494 HydrophobicContact CB-CG2 4.27Å; F485-V494 HydrophobicContact CD1-CB 4.33Å; F485-V494 HydrophobicContact CD1-CG1 3.67Å; F485-V494 HydrophobicContact CD1-CG2 4.47Å; F485-V494 HydrophobicContact CD2-CG1 4.47Å; F485-V494 HydrophobicContact CE1-CG1 4.1Å; F485-V494 HydrophobicContact CG-CB 4.21Å; F485-V494 HydrophobicContact CG-CG1 3.9Å; W487-V494 HydrophobicContact CD2-CG2 4.33Å; W487-V494 HydrophobicContact CH2-CG2 4.33Å; W487-V494 HydrophobicContact CZ2-CB 4.3Å; W487-V494 HydrophobicContact CZ2-CG1 3.62Å; W487-V494 HydrophobicContact CZ2-CG2 3.74Å; V494-Q496 HydrophobicContact CG1-CG 4.45Å
495	F	93.2	Very high	88.5	Confident	20 Å²	20	22.5 Å²	22.5	9%	0.088	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	145.7	179.8	-56.9	-98.7	0	0	0	110.2	V470 K472 H493 T549 W550 I552 Y614	V470-F495 CarbonylContact O-C 3.48Å; V470-F495 VanDerWaalsContact O-CA 3.27Å; V470-F495 WeakPolarHBondContact O-CA 3.45Å; K472-F495 HydrophobicContact CB-CE1 3.72Å; K472-F495 HydrophobicContact CB-CZ 3.95Å; K472-F495 HydrophobicContact CG-CE1 4.4Å; K472-F495 HydrophobicContact CG-CZ 4.15Å; H493-F495 HydrophobicContact CB-CE2 3.94Å; H493-F495 HydrophobicContact CB-CZ 4.27Å; F495-T549 WeakPolarHBondContact O-CA 3Å; F495-W550 HydrophobicContact CB-CD2 3.62Å; F495-W550 HydrophobicContact CB-CE3 4.12Å; F495-W550 HydrophobicContact CB-CG 4.14Å; F495-W550 HydrophobicContact CB-CH2 3.84Å; F495-W550 HydrophobicContact CB-CZ2 3.32Å; F495-W550 HydrophobicContact CB-CZ3 4.21Å; F495-W550 HydrophobicContact CD1-CZ2 4.19Å; F495-W550 AromaticContact CD2-CD1 3.78Å; F495-W550 AromaticContact CD2-NE1 3.46Å; F495-W550 HydrophobicContact CG-CD2 4.45Å; F495-W550 AromaticContact CG-CE2 3.68Å; F495-W550 AromaticContact CG-CZ2 3.89Å; F495-W550 HydrophobicContact CG-CZ2 3.89Å; F495-W550 AromaticContact CG-NE1 3.45Å; F495-W550 PolarHBondContact N-O 3.48Å; F495-W550 PolarHBondContact O-N 2.89Å; F495-W550 VanDerWaalsContact O-O 3.12Å; F495-I552 HydrophobicContact CE2-CB 4.48Å; F495-I552 HydrophobicContact CE2-CD1 3.79Å; F495-I552 HydrophobicContact CE2-CG1 3.98Å; F495-I552 HydrophobicContact CZ-CD1 4.24Å; F495-Y614 HydrophobicContact CD1-CE2 4.03Å
496	Q	93.3	Very high	89.9	Confident	7 Å²	7	24.1 Å²	24.1	3%	0.033	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	143.2	179.7	-60.2	-169.8	-50.4	0	0	111.8	Q467 A468 A469 V470 F485 V494 V548 T549 Y614	Q467-Q496 HydrophobicContact CG-CB 4.32Å; A468-Q496 WeakPolarHBondContact O-CB 3.25Å; A468-Q496 PolarHBondContact O-OE1 3.43Å; A469-Q496 WeakPolarHBondContact CA-O 3.3Å; V470-Q496 HydrophobicContact CB-CB 3.87Å; V470-Q496 HydrophobicContact CB-CG 4.05Å; V470-Q496 HydrophobicContact CG2-CB 4.08Å; V470-Q496 HydrophobicContact CG2-CG 4.14Å; V470-Q496 PolarHBondContact N-O 2.78Å; V470-Q496 PolarHBondContact O-N 2.9Å; F485-Q496 VanDerWaalsContact CE2-OE1 3.3Å; F485-Q496 HydrophobicContact CZ-CG 4.23Å; V494-Q496 HydrophobicContact CG1-CG 4.45Å; Q496-V548 WeakPolarHBondContact CA-O 3.34Å; Q496-T549 HydrophobicContact CG-CG2 4.08Å; Q496-T549 PolarHBondContact NE2-OG1 3.24Å; Q496-Y614 VanDerWaalsContact O-CB 3.31Å; Q496-Y614 WeakPolarHBondContact O-CB 3.35Å
497	K	94.8	Very high	91	Very high	27 Å²	27	23.7 Å²	23.7	12%	0.117	15%	0.15	C	C	.	.			trans	-81.4	144	162.7	-72.1	178.2	-174.2	-178.7	0	109.5	Q467 Y499 N546 V547 V548 W550 V610 D611 N612	Q467-K497 VanDerWaalsContact CD-O 3.25Å; Q467-K497 WeakPolarHBondContact CG-O 3.47Å; Q467-K497 PolarHBondContact NE2-O 3.37Å; K497-Y499 PolarHBondContact O-N 3.38Å; K497-N546 PolarHBondContact NZ-OD1 2.83Å; K497-V547 VanDerWaalsContact CD-O 3.31Å; K497-V547 WeakPolarHBondContact CD-O 3.41Å; K497-V547 WeakPolarHBondContact CE-O 3.44Å; K497-V547 PolarHBondContact NZ-O 3.37Å; K497-V548 HydrophobicContact CB-CB 4.42Å; K497-V548 HydrophobicContact CD-CG1 4.46Å; K497-V548 PolarHBondContact N-O 2.78Å; K497-W550 HydrophobicContact CG-CZ3 4.21Å; K497-V610 HydrophobicContact CB-CG1 3.92Å; K497-V610 HydrophobicContact CD-CG1 3.67Å; K497-V610 HydrophobicContact CG-CG1 4.41Å; K497-D611 VanDerWaalsContact CB-O 3.28Å; K497-D611 WeakPolarHBondContact CB-O 2.96Å; K497-D611 WeakPolarHBondContact CG-O 3.39Å; K497-N612 PolarHBondContact NZ-OD1 3.27Å
498	A	93.7	Very high	91.7	Very high	14 Å²	14	24.2 Å²	24.2	12%	0.116	15%	0.153	C	C	.	.			trans	-61.7	136	169.3	0	0	0	0	0	109.4	Q467 A469 V610 D611 L620	Q467-A498 WeakPolarHBondContact O-CA 3.3Å; A469-A498 HydrophobicContact CB-CB 4.11Å; A498-V610 WeakPolarHBondContact O-CA 3.47Å; A498-D611 HydrophobicContact CB-CB 4.05Å; A498-D611 PolarHBondContact O-N 3.09Å; A498-L620 HydrophobicContact CB-CD1 3.94Å; A498-L620 HydrophobicContact CB-CG 4.46Å
499	Y	95	Very high	92.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	134.5	-175.6	172.3	-106.2	0	0	0	110.3	I345 Y346 N465 W466 Q467 K497 E501 T564 S608 L609 V610	I345-Y499 HydrophobicContact CD1-CD1 3.67Å; I345-Y499 HydrophobicContact CD1-CE1 4.03Å; I345-Y499 HydrophobicContact CD1-CG 4.05Å; I345-Y499 HydrophobicContact CG1-CD1 4.21Å; I345-Y499 HydrophobicContact CG1-CE1 4.07Å; I345-Y499 HydrophobicContact CG2-CD1 4.46Å; I345-Y499 HydrophobicContact CG2-CD2 4.47Å; I345-Y499 HydrophobicContact CG2-CE1 3.91Å; I345-Y499 HydrophobicContact CG2-CE2 3.91Å; Y346-Y499 VanDerWaalsContact CD1-OH 3.23Å; Y346-Y499 WeakPolarHBondContact CD1-OH 3.49Å; Y346-Y499 WeakPolarHBondContact CE1-OH 3.47Å; N465-Y499 HydrophobicContact CB-CE1 4.31Å; W466-Y499 CarbonylContact C-O 3.49Å; W466-Y499 WeakPolarHBondContact CA-O 3.4Å; W466-Y499 WeakPolarHBondContact CB-O 3.33Å; Q467-Y499 PolarHBondContact N-O 2.82Å; Q467-Y499 PolarHBondContact O-N 3.32Å; K497-Y499 PolarHBondContact O-N 3.38Å; Y499-E501 HydrophobicContact CE1-CB 3.91Å; Y499-E501 WeakPolarHBondContact OH-CB 3.2Å; Y499-E501 WeakPolarHBondContact OH-CG 3.48Å; Y499-E501 PolarHBondContact OH-OE2 2.64Å; Y499-T564 HydrophobicContact CD2-CG2 4.27Å; Y499-T564 HydrophobicContact CE2-CG2 3.84Å; Y499-S608 WeakPolarHBondContact CE2-OG 3.46Å; Y499-L609 WeakPolarHBondContact CA-O 3.49Å; Y499-L609 VanDerWaalsContact CD2-O 3.28Å; Y499-L609 WeakPolarHBondContact CD2-O 3.41Å; Y499-V610 HydrophobicContact CD2-CG2 3.77Å; Y499-V610 HydrophobicContact CE2-CG2 4.31Å
500	L	96	Very high	93.4	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.016	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.8	172.8	-63.1	176.9	0	0	0	110	L453 L463 W466 F502 S608 L609 L620 F621 L624	L453-L500 HydrophobicContact CD2-CD2 3.95Å; L463-L500 HydrophobicContact CD2-CD2 4.02Å; W466-L500 HydrophobicContact CB-CD2 3.76Å; L500-F502 HydrophobicContact CB-CD1 4.17Å; L500-F502 HydrophobicContact CB-CE1 4.25Å; L500-S608 WeakPolarHBondContact O-CA 3.48Å; L500-L609 PolarHBondContact N-O 3.35Å; L500-L609 PolarHBondContact O-N 3.4Å; L500-L620 HydrophobicContact CD1-CB 3.88Å; L500-L620 HydrophobicContact CD1-CD1 4.16Å; L500-L620 HydrophobicContact CG-CD1 3.98Å; L500-F621 HydrophobicContact CD1-CD1 4.24Å; L500-F621 HydrophobicContact CD1-CE1 3.9Å; L500-F621 HydrophobicContact CD2-CE1 4.17Å; L500-F621 HydrophobicContact CD2-CZ 4.38Å; L500-L624 HydrophobicContact CD1-CD1 3.56Å
501	E	97.7	Very high	94.2	Very high	1 Å²	1	22 Å²	22	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	126.3	173.3	-155.1	-169.6	147.9	0	0	109.7	I464 N465 Y499 F569 W572 L606 V607	I464-E501 HydrophobicContact CD1-CG 4.24Å; I464-E501 WeakPolarHBondContact CD1-OE1 3.42Å; I464-E501 HydrophobicContact CG1-CB 4.14Å; I464-E501 HydrophobicContact CG1-CG 4.11Å; I464-E501 WeakPolarHBondContact CG1-O 3.33Å; I464-E501 PolarHBondContact N-O 3.11Å; N465-E501 HydrophobicContact CB-CB 3.83Å; N465-E501 WeakPolarHBondContact CB-OE2 3.47Å; N465-E501 PolarHBondContact N-O 3.22Å; N465-E501 PolarHBondContact ND2-OE2 2.76Å; N465-E501 WeakPolarHBondContact O-CB 3.27Å; N465-E501 PolarHBondContact O-N 3.02Å; Y499-E501 HydrophobicContact CE1-CB 3.91Å; Y499-E501 WeakPolarHBondContact OH-CB 3.2Å; Y499-E501 WeakPolarHBondContact OH-CG 3.48Å; Y499-E501 PolarHBondContact OH-OE2 2.64Å; E501-F569 HydrophobicContact CG-CE2 4.47Å; E501-W572 PolarHBondContact OE1-NE1 2.75Å; E501-L606 HydrophobicContact CG-CD1 4.34Å; E501-V607 VanDerWaalsContact CA-O 3.31Å; E501-V607 WeakPolarHBondContact CA-O 3.12Å
502	F	98.1	Very high	94.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	161.4	-173.6	56.5	-89.9	0	0	0	112.7	I461 L462 L463 L500 A504 F508 L512 V607 L609 L624	I461-F502 HydrophobicContact CG2-CB 3.93Å; I461-F502 HydrophobicContact CG2-CD1 3.95Å; I461-F502 HydrophobicContact CG2-CD2 3.58Å; I461-F502 HydrophobicContact CG2-CE1 4.32Å; I461-F502 HydrophobicContact CG2-CE2 3.98Å; I461-F502 HydrophobicContact CG2-CG 3.55Å; I461-F502 HydrophobicContact CG2-CZ 4.33Å; L462-F502 WeakPolarHBondContact O-CA 3.15Å; L462-F502 VanDerWaalsContact O-CB 3.29Å; L462-F502 WeakPolarHBondContact O-CB 3.37Å; L463-F502 HydrophobicContact CD2-CB 4.31Å; L500-F502 HydrophobicContact CB-CD1 4.17Å; L500-F502 HydrophobicContact CB-CE1 4.25Å; F502-A504 HydrophobicContact CD2-CB 3.93Å; F502-A504 HydrophobicContact CE2-CB 3.86Å; F502-F508 AromaticContact CE2-CE1 3.99Å; F502-F508 HydrophobicContact CE2-CE1 3.99Å; F502-F508 HydrophobicContact CZ-CE1 4.37Å; F502-L512 HydrophobicContact CZ-CD2 4.29Å; F502-V607 HydrophobicContact CD1-CB 4.48Å; F502-V607 HydrophobicContact CD2-CB 3.99Å; F502-V607 HydrophobicContact CD2-CG2 4.29Å; F502-V607 HydrophobicContact CE1-CB 4.16Å; F502-V607 HydrophobicContact CE1-CG1 3.85Å; F502-V607 HydrophobicContact CE2-CB 3.64Å; F502-V607 HydrophobicContact CE2-CG1 3.85Å; F502-V607 HydrophobicContact CE2-CG2 3.83Å; F502-V607 HydrophobicContact CG-CB 4.41Å; F502-V607 HydrophobicContact CZ-CB 3.73Å; F502-V607 HydrophobicContact CZ-CG1 3.42Å; F502-V607 VanDerWaalsContact CZ-CG1 3.42Å; F502-V607 HydrophobicContact CZ-CG2 4.3Å; F502-V607 PolarHBondContact N-O 3.45Å; F502-V607 PolarHBondContact O-N 3.47Å; F502-L609 HydrophobicContact CE1-CD1 3.87Å; F502-L609 HydrophobicContact CE1-CG 4.12Å; F502-L609 HydrophobicContact CZ-CD1 4.05Å; F502-L609 HydrophobicContact CZ-CG 4.45Å; F502-L624 HydrophobicContact CE1-CD2 4.24Å; F502-L624 HydrophobicContact CZ-CD2 3.77Å
503	F	98.5	Very high	95.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	141.8	163.4	-67.7	-89.2	0	0	0	110.4	W435 L462 I464 A576 F577 W580 Y604 S605 L606	W435-F503 AromaticContact CE2-CE2 3.68Å; W435-F503 HydrophobicContact CZ2-CD2 4.16Å; W435-F503 AromaticContact CZ2-CE2 3.56Å; W435-F503 HydrophobicContact CZ2-CE2 3.56Å; W435-F503 HydrophobicContact CZ2-CZ 4.33Å; W435-F503 AromaticContact NE1-CE2 3.62Å; L462-F503 HydrophobicContact CB-CB 4.11Å; L462-F503 WeakPolarHBondContact CB-O 3.37Å; L462-F503 HydrophobicContact CD1-CB 4.31Å; L462-F503 PolarHBondContact N-O 2.94Å; L462-F503 PolarHBondContact O-N 3.49Å; I464-F503 HydrophobicContact CD1-CD2 4.39Å; I464-F503 HydrophobicContact CD1-CE2 3.86Å; I464-F503 HydrophobicContact CG2-CD2 4.03Å; I464-F503 HydrophobicContact CG2-CE2 4.14Å; F503-A576 HydrophobicContact CZ-CB 3.93Å; F503-F577 HydrophobicContact CD1-CE1 4.1Å; F503-F577 HydrophobicContact CD1-CZ 4.11Å; F503-F577 AromaticContact CE1-CD1 3.84Å; F503-F577 HydrophobicContact CE1-CD1 3.84Å; F503-F577 AromaticContact CE1-CD2 3.98Å; F503-F577 HydrophobicContact CE1-CD2 3.98Å; F503-F577 AromaticContact CE1-CE1 3.68Å; F503-F577 HydrophobicContact CE1-CE1 3.68Å; F503-F577 AromaticContact CE1-CE2 3.83Å; F503-F577 HydrophobicContact CE1-CE2 3.83Å; F503-F577 AromaticContact CE1-CG 3.99Å; F503-F577 HydrophobicContact CE1-CG 3.99Å; F503-F577 AromaticContact CE1-CZ 3.68Å; F503-F577 HydrophobicContact CE1-CZ 3.68Å; F503-F577 HydrophobicContact CZ-CG 4.5Å; F503-W580 HydrophobicContact CB-CZ2 4.22Å; F503-W580 AromaticContact CD1-NE1 3.56Å; F503-W580 AromaticContact CD2-CE2 3.89Å; F503-W580 AromaticContact CD2-CZ2 3.8Å; F503-W580 HydrophobicContact CD2-CZ2 3.8Å; F503-W580 AromaticContact CD2-NE1 3.41Å; F503-W580 AromaticContact CE1-NE1 3.51Å; F503-W580 HydrophobicContact CE2-CZ2 4.4Å; F503-W580 AromaticContact CE2-NE1 3.35Å; F503-W580 VanDerWaalsContact CE2-NE1 3.35Å; F503-W580 HydrophobicContact CG-CZ2 4.07Å; F503-W580 AromaticContact CG-NE1 3.51Å; F503-W580 AromaticContact CZ-CD1 3.92Å; F503-W580 AromaticContact CZ-NE1 3.4Å; F503-Y604 HydrophobicContact CB-CD1 4.11Å; F503-S605 WeakPolarHBondContact CA-O 3.38Å; F503-L606 HydrophobicContact CD1-CB 4.33Å; F503-L606 HydrophobicContact CD1-CD1 4.38Å; F503-L606 HydrophobicContact CD2-CD1 4.38Å; F503-L606 HydrophobicContact CE1-CB 4.03Å; F503-L606 HydrophobicContact CE1-CD1 4.05Å; F503-L606 HydrophobicContact CE2-CD1 4.06Å; F503-L606 HydrophobicContact CZ-CD1 3.88Å
504	A	97.5	Very high	95.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	156.5	172.9	0	0	0	0	0	112.7	F502 F508 V509 Y604 S605	F502-A504 HydrophobicContact CD2-CB 3.93Å; F502-A504 HydrophobicContact CE2-CB 3.86Å; A504-F508 HydrophobicContact CB-CB 4.41Å; A504-F508 HydrophobicContact CB-CD1 3.5Å; A504-F508 VanDerWaalsContact CB-CD1 3.5Å; A504-F508 HydrophobicContact CB-CE1 4.23Å; A504-F508 HydrophobicContact CB-CG 4.34Å; A504-V509 HydrophobicContact CB-CG2 4.27Å; A504-Y604 CarbonylContact O-C 3.41Å; A504-Y604 VanDerWaalsContact O-CA 3.31Å; A504-Y604 WeakPolarHBondContact O-CA 3.46Å; A504-Y604 WeakPolarHBondContact O-CB 3.44Å; A504-S605 PolarHBondContact N-O 3.04Å; A504-S605 PolarHBondContact O-N 3.44Å
505	S	96.5	Very high	95.8	Very high	38 Å²	38	21.5 Å²	21.5	27%	0.266	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	151.2	178.4	71.9	0	0	0	0	111.6	A507 F508 V509	S505-A507 PolarHBondContact O-N 3.38Å; S505-F508 PolarHBondContact O-N 2.76Å; S505-F508 VanDerWaalsContact O-N 3.11Å; S505-F508 PolarHBondContact OG-N 2.87Å; S505-V509 WeakPolarHBondContact O-CG2 3.24Å; S505-V509 PolarHBondContact O-N 3.16Å
506	A	94.9	Very high	95.9	Very high	62 Å²	62	20.9 Å²	20.9	51%	0.512	13%	0.13	S	C	.	.	H	α-helix	trans	-55.7	-35	176.5	0	0	0	0	0	113	V509 H510	A506-V509 PolarHBondContact O-N 3.06Å; A506-H510 PolarHBondContact O-N 2.82Å
507	A	94.4	Very high	95.9	Very high	44 Å²	44	25.2 Å²	25.2	36%	0.364	16%	0.159	S	C	.	.	H	α-helix	trans	-64.5	-47	176.3	0	0	0	0	0	111.9	S505 H510 S511 V632	S505-A507 PolarHBondContact O-N 3.38Å; A507-H510 WeakPolarHBondContact O-CB 3.35Å; A507-H510 PolarHBondContact O-N 2.91Å; A507-S511 PolarHBondContact O-N 2.98Å; A507-V632 HydrophobicContact CB-CG2 4.39Å
508	F	96.1	Very high	95.9	Very high	23 Å²	23	29.8 Å²	29.8	10%	0.101	18%	0.179	C	C	.	.	H	α-helix	trans	-64	-41.9	176.2	178	-102.5	0	0	0	111.8	I461 F502 A504 S505 H510 S511 L512 L624 A627 I628	I461-F508 HydrophobicContact CD1-CE1 4.44Å; I461-F508 HydrophobicContact CD1-CZ 3.99Å; I461-F508 HydrophobicContact CG1-CE1 4.3Å; I461-F508 HydrophobicContact CG1-CZ 4.25Å; F502-F508 AromaticContact CE2-CE1 3.99Å; F502-F508 HydrophobicContact CE2-CE1 3.99Å; F502-F508 HydrophobicContact CZ-CE1 4.37Å; A504-F508 HydrophobicContact CB-CB 4.41Å; A504-F508 HydrophobicContact CB-CD1 3.5Å; A504-F508 VanDerWaalsContact CB-CD1 3.5Å; A504-F508 HydrophobicContact CB-CE1 4.23Å; A504-F508 HydrophobicContact CB-CG 4.34Å; S505-F508 PolarHBondContact O-N 2.76Å; S505-F508 VanDerWaalsContact O-N 3.11Å; S505-F508 PolarHBondContact OG-N 2.87Å; F508-H510 VanDerWaalsContact C-N 3.26Å; F508-H510 PolarHBondContact O-N 2.89Å; F508-S511 PolarHBondContact O-N 3.24Å; F508-L512 HydrophobicContact CE1-CB 4.32Å; F508-L512 HydrophobicContact CE1-CD2 4.17Å; F508-L512 WeakPolarHBondContact O-CB 3.33Å; F508-L512 PolarHBondContact O-N 3.34Å; F508-L624 HydrophobicContact CE1-CD2 4.05Å; F508-L624 HydrophobicContact CZ-CD2 3.71Å; F508-A627 HydrophobicContact CE2-CB 3.76Å; F508-A627 HydrophobicContact CZ-CB 4.08Å; F508-I628 HydrophobicContact CD2-CG1 3.73Å; F508-I628 HydrophobicContact CE2-CB 4.34Å; F508-I628 HydrophobicContact CE2-CD1 4.18Å; F508-I628 HydrophobicContact CE2-CG1 3.26Å; F508-I628 HydrophobicContact CZ-CG1 4.21Å
509	V	97.2	Very high	95.9	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-58.1	-40	176.6	166.9	0	0	0	0	111.5	A504 S505 A506 L512 L513 V526 F533 V607	A504-V509 HydrophobicContact CB-CG2 4.27Å; S505-V509 WeakPolarHBondContact O-CG2 3.24Å; S505-V509 PolarHBondContact O-N 3.16Å; A506-V509 PolarHBondContact O-N 3.06Å; V509-L512 PolarHBondContact O-N 3.21Å; V509-L513 HydrophobicContact CG1-CD1 3.95Å; V509-L513 HydrophobicContact CG1-CG 4.45Å; V509-L513 WeakPolarHBondContact O-CB 3.36Å; V509-L513 VanDerWaalsContact O-CG 3.28Å; V509-L513 WeakPolarHBondContact O-CG 3.3Å; V509-L513 PolarHBondContact O-N 3.14Å; V509-V526 HydrophobicContact CG1-CG1 3.73Å; V509-V526 HydrophobicContact CG2-CG1 4.32Å; V509-F533 HydrophobicContact CG1-CE1 3.78Å; V509-F533 HydrophobicContact CG1-CZ 4.14Å; V509-V607 HydrophobicContact CG2-CG2 4.14Å
510	H	95.9	Very high	95.7	Very high	107 Å²	107	35.9 Å²	35.9	50%	0.495	21%	0.213	S	C	.	.	H	α-helix	trans	-62.3	-47.7	176.2	-174.1	76.5	0	0	0	112	A506 A507 F508 L513 S514	A506-H510 PolarHBondContact O-N 2.82Å; A507-H510 WeakPolarHBondContact O-CB 3.35Å; A507-H510 PolarHBondContact O-N 2.91Å; F508-H510 VanDerWaalsContact C-N 3.26Å; F508-H510 PolarHBondContact O-N 2.89Å; H510-L513 PolarHBondContact O-N 2.97Å; H510-S514 PolarHBondContact O-N 3.04Å
511	S	96.6	Very high	95.6	Very high	5 Å²	5	39.7 Å²	39.7	4%	0.035	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-40.7	175	-62.2	0	0	0	0	112.2	A507 F508 L513 S514 I515 A627	A507-S511 PolarHBondContact O-N 2.98Å; F508-S511 PolarHBondContact O-N 3.24Å; S511-L513 PolarHBondContact O-N 3.03Å; S511-S514 PolarHBondContact O-N 2.85Å; S511-S514 PolarHBondContact O-OG 2.98Å; S511-I515 WeakPolarHBondContact O-CG1 3.22Å; S511-I515 PolarHBondContact O-N 3.09Å; S511-A627 WeakPolarHBondContact CB-O 3.44Å
512	L	96.6	Very high	95.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.8	-46.5	177.4	178.6	62.4	0	0	0	111.4	F502 F508 V509 S514 I515 I516 V607 L623 L624 A627	F502-L512 HydrophobicContact CZ-CD2 4.29Å; F508-L512 HydrophobicContact CE1-CB 4.32Å; F508-L512 HydrophobicContact CE1-CD2 4.17Å; F508-L512 WeakPolarHBondContact O-CB 3.33Å; F508-L512 PolarHBondContact O-N 3.34Å; V509-L512 PolarHBondContact O-N 3.21Å; L512-S514 VanDerWaalsContact C-N 3.28Å; L512-S514 PolarHBondContact O-N 3.26Å; L512-I515 PolarHBondContact O-N 2.9Å; L512-I516 HydrophobicContact CD1-CD1 4Å; L512-I516 HydrophobicContact CD1-CG1 3.99Å; L512-I516 HydrophobicContact CD2-CD1 4.36Å; L512-I516 HydrophobicContact CG-CD1 3.77Å; L512-I516 HydrophobicContact CG-CG1 4.2Å; L512-I516 WeakPolarHBondContact O-CB 3.29Å; L512-I516 WeakPolarHBondContact O-CG1 3.2Å; L512-I516 PolarHBondContact O-N 3.01Å; L512-V607 HydrophobicContact CD2-CG1 4.05Å; L512-L623 HydrophobicContact CD1-CD1 3.95Å; L512-L623 HydrophobicContact CD1-CD2 4.13Å; L512-L623 HydrophobicContact CD1-CG 3.89Å; L512-L624 HydrophobicContact CD1-CD2 4.2Å; L512-A627 HydrophobicContact CB-CB 4.21Å; L512-A627 HydrophobicContact CD1-CB 4.1Å
513	L	96.6	Very high	95.3	Very high	35 Å²	35	41.3 Å²	41.3	18%	0.183	24%	0.243	C	C	.	.	H	α-helix	trans	-68.3	-24.1	179.7	-69.9	172.1	0	0	0	113.4	V509 H510 S511 P517 Y524 V526 F533 K535	V509-L513 HydrophobicContact CG1-CD1 3.95Å; V509-L513 HydrophobicContact CG1-CG 4.45Å; V509-L513 WeakPolarHBondContact O-CB 3.36Å; V509-L513 VanDerWaalsContact O-CG 3.28Å; V509-L513 WeakPolarHBondContact O-CG 3.3Å; V509-L513 PolarHBondContact O-N 3.14Å; H510-L513 PolarHBondContact O-N 2.97Å; S511-L513 PolarHBondContact O-N 3.03Å; L513-P517 WeakPolarHBondContact O-CD 3.33Å; L513-Y524 HydrophobicContact CD2-CD2 3.93Å; L513-Y524 HydrophobicContact CD2-CE2 3.38Å; L513-V526 HydrophobicContact CD2-CG2 4.48Å; L513-F533 HydrophobicContact CD1-CE1 4.3Å; L513-F533 HydrophobicContact CD1-CZ 3.64Å; L513-K535 HydrophobicContact CD1-CB 4.22Å; L513-K535 HydrophobicContact CD1-CG 4.04Å; L513-K535 HydrophobicContact CD2-CB 4.24Å
514	S	95.7	Very high	95.2	Very high	60 Å²	60	43.3 Å²	43.3	42%	0.42	25%	0.251	S	S	.	.	H	α-helix	trans	-78	-28.1	174.8	76.2	0	0	0	0	112.7	H510 S511 L512	H510-S514 PolarHBondContact O-N 3.04Å; S511-S514 PolarHBondContact O-N 2.85Å; S511-S514 PolarHBondContact O-OG 2.98Å; L512-S514 VanDerWaalsContact C-N 3.28Å; L512-S514 PolarHBondContact O-N 3.26Å
515	I	94.6	Very high	95.2	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.015	25%	0.253	C	S	.	.	H	α-helix	trans	-91.5	-35.2	-179.1	-61.7	-58.7	0	0	0	112.8	S511 L512 P517 K518 Y519 L623 E626 E630	S511-I515 WeakPolarHBondContact O-CG1 3.22Å; S511-I515 PolarHBondContact O-N 3.09Å; L512-I515 PolarHBondContact O-N 2.9Å; I515-P517 VanDerWaalsContact C-N 3.27Å; I515-P517 WeakPolarHBondContact O-CD 3.34Å; I515-K518 HydrophobicContact CG2-CD 4.43Å; I515-K518 VanDerWaalsContact O-CB 3.32Å; I515-K518 WeakPolarHBondContact O-CB 3.34Å; I515-K518 WeakPolarHBondContact O-CG 3.36Å; I515-K518 PolarHBondContact O-N 3.21Å; I515-Y519 HydrophobicContact CG2-CD2 4.26Å; I515-Y519 HydrophobicContact CG2-CE2 3.75Å; I515-L623 HydrophobicContact CB-CD1 4.33Å; I515-L623 HydrophobicContact CG2-CD1 3.75Å; I515-E626 HydrophobicContact CD1-CG 4.24Å; I515-E626 HydrophobicContact CG1-CG 4.42Å; I515-E626 HydrophobicContact CG2-CB 4.13Å; I515-E626 HydrophobicContact CG2-CG 3.85Å; I515-E630 HydrophobicContact CD1-CB 4.43Å; I515-E630 HydrophobicContact CD1-CG 4.21Å; I515-E630 HydrophobicContact CG1-CB 4.37Å; I515-E630 HydrophobicContact CG1-CG 4.44Å
516	I	94.4	Very high	95.3	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.036	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-45.8	-38.8	-178.8	-89.6	175.5	0	0	0	114.8	L512 K518 Y519 Y524 L609 L623	L512-I516 HydrophobicContact CD1-CD1 4Å; L512-I516 HydrophobicContact CD1-CG1 3.99Å; L512-I516 HydrophobicContact CD2-CD1 4.36Å; L512-I516 HydrophobicContact CG-CD1 3.77Å; L512-I516 HydrophobicContact CG-CG1 4.2Å; L512-I516 WeakPolarHBondContact O-CB 3.29Å; L512-I516 WeakPolarHBondContact O-CG1 3.2Å; L512-I516 PolarHBondContact O-N 3.01Å; I516-K518 PolarHBondContact O-N 2.65Å; I516-Y519 CarbonylContact O-C 3.31Å; I516-Y519 WeakPolarHBondContact O-CA 3.4Å; I516-Y519 PolarHBondContact O-N 2.98Å; I516-Y524 HydrophobicContact CD1-CD1 3.86Å; I516-Y524 HydrophobicContact CD1-CD2 4.43Å; I516-Y524 HydrophobicContact CD1-CE1 4.46Å; I516-Y524 HydrophobicContact CD1-CG 3.83Å; I516-Y524 HydrophobicContact CG2-CD1 3.6Å; I516-Y524 HydrophobicContact CG2-CE1 3.55Å; I516-L609 HydrophobicContact CD1-CD2 4.16Å; I516-L623 HydrophobicContact CG1-CD1 3.89Å; I516-L623 HydrophobicContact CG1-CD2 3.9Å; I516-L623 HydrophobicContact CG1-CG 4.49Å
517	P	93.8	Very high	95.4	Very high	98 Å²	98	38.9 Å²	38.9	64%	0.636	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-57.4	-21.1	177.3	-28.4	36.9	0	0	0	115	L513 I515 Y519	L513-P517 WeakPolarHBondContact O-CD 3.33Å; I515-P517 VanDerWaalsContact C-N 3.27Å; I515-P517 WeakPolarHBondContact O-CD 3.34Å; P517-Y519 PolarHBondContact O-N 3.24Å
518	K	93.4	Very high	95.5	Very high	124 Å²	124	38 Å²	38	54%	0.539	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-72.6	-15.5	172.7	-57.3	-179.4	-170.3	175.3	0	112.9	I515 I516 P520 E626	I515-K518 HydrophobicContact CG2-CD 4.43Å; I515-K518 VanDerWaalsContact O-CB 3.32Å; I515-K518 WeakPolarHBondContact O-CB 3.34Å; I515-K518 WeakPolarHBondContact O-CG 3.36Å; I515-K518 PolarHBondContact O-N 3.21Å; I516-K518 PolarHBondContact O-N 2.65Å; K518-P520 VanDerWaalsContact C-CD 3.43Å; K518-P520 VanDerWaalsContact O-CD 3.22Å; K518-P520 WeakPolarHBondContact O-CD 3.29Å; K518-E626 WeakPolarHBondContact CD-OE1 3.17Å; K518-E626 IonicContact NZ-OE1 3.82Å; K518-E626 PolarHBondContact NZ-OE1 3.17Å
519	Y	94.1	Very high	95.4	Very high	30 Å²	30	40.7 Å²	40.7	12%	0.118	21%	0.214	C	C	.	.			trans	-117.5	68.3	-176.4	-62.3	-101.6	0	0	0	109.9	I515 I516 P517 M521 V522 T618 L623 E626	I515-Y519 HydrophobicContact CG2-CD2 4.26Å; I515-Y519 HydrophobicContact CG2-CE2 3.75Å; I516-Y519 CarbonylContact O-C 3.31Å; I516-Y519 WeakPolarHBondContact O-CA 3.4Å; I516-Y519 PolarHBondContact O-N 2.98Å; P517-Y519 PolarHBondContact O-N 3.24Å; Y519-M521 PolarHBondContact O-N 3.49Å; Y519-V522 WeakPolarHBondContact O-CB 3.09Å; Y519-V522 PolarHBondContact O-N 2.95Å; Y519-T618 HydrophobicContact CD1-CG2 3.5Å; Y519-T618 VanDerWaalsContact CD1-CG2 3.5Å; Y519-T618 HydrophobicContact CE1-CG2 3.92Å; Y519-L623 HydrophobicContact CD1-CB 3.99Å; Y519-L623 HydrophobicContact CD2-CB 4.2Å; Y519-L623 HydrophobicContact CD2-CD1 3.55Å; Y519-L623 HydrophobicContact CD2-CG 4.38Å; Y519-L623 HydrophobicContact CE1-CB 3.87Å; Y519-L623 HydrophobicContact CE2-CB 4.09Å; Y519-L623 HydrophobicContact CE2-CD1 3.76Å; Y519-L623 HydrophobicContact CG-CB 4.18Å; Y519-L623 HydrophobicContact CG-CD1 4.11Å; Y519-E626 WeakPolarHBondContact CE2-OE2 3.48Å; Y519-E626 PolarHBondContact OH-OE2 3.13Å
520	P	91.7	Very high	95.3	Very high	111 Å²	111	45.3 Å²	45.3	72%	0.721	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.1	-169.9	26.7	-36.6	0	0	0	114.4	K518 V522	K518-P520 VanDerWaalsContact C-CD 3.43Å; K518-P520 VanDerWaalsContact O-CD 3.22Å; K518-P520 WeakPolarHBondContact O-CD 3.29Å; P520-V522 VanDerWaalsContact C-N 3.29Å
521	M	92.5	Very high	95	Very high	83 Å²	83	42.8 Å²	42.8	41%	0.409	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-7.5	175.8	-67	-60	-70.9	0	0	113.2	Y519 N612 D613	Y519-M521 PolarHBondContact O-N 3.49Å; M521-N612 HydrophobicContact CE-CB 4.08Å; M521-N612 VanDerWaalsContact O-CB 3.28Å; M521-N612 WeakPolarHBondContact O-CB 3.25Å; M521-N612 PolarHBondContact O-N 3.43Å; M521-N612 PolarHBondContact O-ND2 3.32Å; M521-D613 HydrophobicContact CE-CB 4.15Å
522	V	94.9	Very high	94.9	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	117.1	-179.9	177.5	0	0	0	0	110.2	Y519 P520 N537 L609 V610 L620 L623	Y519-V522 WeakPolarHBondContact O-CB 3.09Å; Y519-V522 PolarHBondContact O-N 2.95Å; P520-V522 VanDerWaalsContact C-N 3.29Å; V522-N537 PolarHBondContact O-ND2 2.94Å; V522-L609 HydrophobicContact CG1-CD2 4.36Å; V522-V610 CarbonylContact C-O 3.35Å; V522-V610 WeakPolarHBondContact CA-O 3.44Å; V522-L620 HydrophobicContact CG1-CD2 3.95Å; V522-L620 HydrophobicContact CG2-CD2 3.77Å; V522-L623 HydrophobicContact CG1-CD2 4.06Å; V522-L623 HydrophobicContact CG2-CD2 4.36Å
523	S	95.2	Very high	94.9	Very high	34 Å²	34	50.1 Å²	50.1	24%	0.238	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	139.2	165.3	-64.2	0	0	0	0	110.2	N537 L609 V610 N612	S523-N537 VanDerWaalsContact CA-OD1 3.3Å; S523-N537 WeakPolarHBondContact CA-OD1 3.31Å; S523-L609 WeakPolarHBondContact O-CA 3.31Å; S523-V610 PolarHBondContact N-O 3.05Å; S523-V610 PolarHBondContact O-N 3.18Å; S523-N612 PolarHBondContact OG-ND2 3.38Å
524	Y	96.6	Very high	94.9	Very high	42 Å²	42	51.4 Å²	51.4	17%	0.165	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	152.3	178.5	73.3	-89.8	0	0	0	112.6	L513 I516 V526 K535 T536 N537 S608	L513-Y524 HydrophobicContact CD2-CD2 3.93Å; L513-Y524 HydrophobicContact CD2-CE2 3.38Å; I516-Y524 HydrophobicContact CD1-CD1 3.86Å; I516-Y524 HydrophobicContact CD1-CD2 4.43Å; I516-Y524 HydrophobicContact CD1-CE1 4.46Å; I516-Y524 HydrophobicContact CD1-CG 3.83Å; I516-Y524 HydrophobicContact CG2-CD1 3.6Å; I516-Y524 HydrophobicContact CG2-CE1 3.55Å; Y524-V526 HydrophobicContact CD2-CG2 4.12Å; Y524-K535 HydrophobicContact CE2-CB 4.01Å; Y524-T536 VanDerWaalsContact O-CA 3.23Å; Y524-T536 WeakPolarHBondContact O-CA 3.39Å; Y524-T536 VanDerWaalsContact O-CB 3.28Å; Y524-T536 WeakPolarHBondContact O-CB 3.38Å; Y524-T536 PolarHBondContact O-OG1 3.19Å; Y524-N537 HydrophobicContact CD1-CB 3.96Å; Y524-N537 VanDerWaalsContact CD1-CG 3.42Å; Y524-N537 HydrophobicContact CE1-CB 3.51Å; Y524-N537 PolarHBondContact N-OD1 3.22Å; Y524-N537 PolarHBondContact O-N 3.21Å; Y524-N537 PolarHBondContact O-OD1 3.21Å; Y524-S608 CarbonylContact C-O 3.57Å; Y524-S608 VanDerWaalsContact CA-O 3.26Å; Y524-S608 WeakPolarHBondContact CA-O 3.4Å
525	H	97.3	Very high	94.9	Very high	7 Å²	7	53.7 Å²	53.7	3%	0.032	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	123.1	166.5	-161.9	168.4	0	0	0	108	E534 K535 F569 S608	H525-E534 IonicContact CD2-OE1 2.73Å; H525-E534 IonicContact CE1-OE1 2.97Å; H525-E534 PolarHBondContact CE1-OE1 3.22Å; H525-E534 IonicContact NE2-OE1 2.65Å; H525-E534 PolarHBondContact NE2-OE1 3.47Å; H525-K535 CarbonylContact C-O 3.55Å; H525-K535 WeakPolarHBondContact CA-O 3.43Å; H525-F569 HydrophobicContact CB-CD1 3.76Å; H525-F569 HydrophobicContact CB-CE1 3.8Å; H525-F569 AromaticContact CD2-CD1 3.91Å; H525-F569 AromaticContact CE1-CD1 3.8Å; H525-F569 AromaticContact CG-CD1 3.42Å; H525-F569 VanDerWaalsContact CG-CD1 3.42Å; H525-F569 AromaticContact CG-CE1 3.83Å; H525-F569 AromaticContact ND1-CD1 3.38Å; H525-F569 WeakPolarHBondContact ND1-CD1 3.21Å; H525-F569 WeakPolarHBondContact O-CE1 3.46Å; H525-S608 PolarHBondContact N-O 2.81Å; H525-S608 PolarHBondContact O-N 2.83Å
526	V	98.1	Very high	94.9	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.8	-179	-176.4	0	0	0	0	109	V509 L513 Y524 F533 E534 K535 L606 V607	V509-V526 HydrophobicContact CG1-CG1 3.73Å; V509-V526 HydrophobicContact CG2-CG1 4.32Å; L513-V526 HydrophobicContact CD2-CG2 4.48Å; Y524-V526 HydrophobicContact CD2-CG2 4.12Å; V526-F533 HydrophobicContact CG1-CD1 4.44Å; V526-F533 HydrophobicContact CG1-CE1 3.88Å; V526-E534 CarbonylContact O-C 3.56Å; V526-E534 VanDerWaalsContact O-CA 3.31Å; V526-E534 WeakPolarHBondContact O-CA 3.11Å; V526-K535 PolarHBondContact N-O 2.98Å; V526-K535 PolarHBondContact O-N 3.37Å; V526-L606 WeakPolarHBondContact CA-O 3.35Å; V526-V607 HydrophobicContact CG1-CG2 4.04Å; V526-V607 HydrophobicContact CG2-CB 4.43Å; V526-V607 HydrophobicContact CG2-CG1 4.02Å; V526-V607 HydrophobicContact CG2-CG2 4.09Å
527	L	97	Very high	94.8	Very high	1 Å²	1	58 Å²	58	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	147.9	174.2	50.4	126.5	0	0	0	113	F533 E534 F569 K573 S605 L606	L527-F533 WeakPolarHBondContact CA-O 3.15Å; L527-E534 HydrophobicContact CB-CB 4.35Å; L527-E534 HydrophobicContact CB-CG 4.29Å; L527-F569 HydrophobicContact CD2-CD1 3.19Å; L527-F569 HydrophobicContact CD2-CE1 3.19Å; L527-F569 HydrophobicContact CD2-CG 4.28Å; L527-F569 HydrophobicContact CD2-CZ 4.28Å; L527-F569 HydrophobicContact CG-CD1 4.43Å; L527-F569 HydrophobicContact CG-CE1 4.12Å; L527-K573 HydrophobicContact CD1-CB 3.5Å; L527-K573 HydrophobicContact CD1-CD 3.18Å; L527-K573 HydrophobicContact CD1-CG 3.25Å; L527-S605 CarbonylContact O-C 3.51Å; L527-S605 WeakPolarHBondContact O-CA 3.12Å; L527-S605 WeakPolarHBondContact O-CB 3.3Å; L527-L606 PolarHBondContact N-O 3.05Å; L527-L606 PolarHBondContact O-N 3.27Å
528	N	97.1	Very high	94.4	Very high	25 Å²	25	55 Å²	55	13%	0.134	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	171.2	171.7	68.7	-12	0	0	0	111.6	D530 A531 S532 F533 K573	N528-D530 VanDerWaalsContact CG-OD1 3.26Å; N528-D530 PolarHBondContact ND2-OD1 3.48Å; N528-D530 PolarHBondContact O-N 3.07Å; N528-D530 PolarHBondContact OD1-OD1 3.42Å; N528-A531 PolarHBondContact O-N 2.95Å; N528-A531 VanDerWaalsContact O-N 3.14Å; N528-A531 VanDerWaalsContact OD1-CA 3.31Å; N528-A531 WeakPolarHBondContact OD1-CA 3.44Å; N528-A531 PolarHBondContact OD1-N 3.11Å; N528-S532 PolarHBondContact ND2-OG 3.32Å; N528-S532 PolarHBondContact OD1-N 3.4Å; N528-S532 VanDerWaalsContact OD1-N 3.08Å; N528-F533 HydrophobicContact CB-CB 4.41Å; N528-F533 PolarHBondContact N-O 3.47Å; N528-F533 PolarHBondContact OD1-N 2.77Å; N528-F533 PolarHBondContact OD1-O 2.95Å; N528-F533 VanDerWaalsContact OD1-O 3.11Å; N528-K573 WeakPolarHBondContact O-CD 3.4Å
529	R	94.8	Very high	93.7	Very high	80 Å²	80	51.1 Å²	51.1	30%	0.302	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-46.7	-172.7	-175.8	-177.1	61.9	78.3	-4.9	114	A531 K573 F577 Y601 D602	R529-A531 PolarHBondContact O-N 2.95Å; R529-K573 PolarHBondContact O-NZ 2.84Å; R529-F577 HydrophobicContact CB-CD1 3.76Å; R529-F577 HydrophobicContact CB-CD2 4.14Å; R529-F577 HydrophobicContact CB-CE1 3.79Å; R529-F577 HydrophobicContact CB-CE2 4.17Å; R529-F577 HydrophobicContact CB-CG 3.94Å; R529-F577 HydrophobicContact CB-CZ 4Å; R529-F577 HydrophobicContact CG-CB 4.13Å; R529-F577 HydrophobicContact CG-CD1 4.06Å; R529-F577 HydrophobicContact CG-CD2 4.35Å; R529-F577 HydrophobicContact CG-CG 3.94Å; R529-Y601 WeakPolarHBondContact CD-OH 3.37Å; R529-D602 IonicContact CZ-OD1 3.93Å; R529-D602 IonicContact NE-OD1 2.77Å; R529-D602 IonicContact NH2-OD1 3.74Å; R529-D602 PolarHBondContact NH2-OD1 3.23Å
530	D	93.7	Very high	92.8	Very high	99 Å²	99	55.9 Å²	55.9	53%	0.529	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	2.5	-177.4	67.6	-3.2	0	0	0	113.1	N528 S532	N528-D530 VanDerWaalsContact CG-OD1 3.26Å; N528-D530 PolarHBondContact ND2-OD1 3.48Å; N528-D530 PolarHBondContact O-N 3.07Å; N528-D530 PolarHBondContact OD1-OD1 3.42Å; D530-S532 VanDerWaalsContact CG-OG 3.27Å; D530-S532 PolarHBondContact O-N 3.4Å; D530-S532 VanDerWaalsContact OD1-CB 3.27Å; D530-S532 WeakPolarHBondContact OD1-CB 3.33Å; D530-S532 PolarHBondContact OD1-N 3.5Å; D530-S532 PolarHBondContact OD1-OG 3.02Å; D530-S532 PolarHBondContact OD2-OG 2.81Å
531	A	90.7	Very high	91.9	Very high	54 Å²	54	53.9 Å²	53.9	45%	0.446	31%	0.309	S	S	.	.	S	Bend	trans	58.3	18	-175.4	0	0	0	0	0	114.5	N528 R529 F533	N528-A531 PolarHBondContact O-N 2.95Å; N528-A531 VanDerWaalsContact O-N 3.14Å; N528-A531 VanDerWaalsContact OD1-CA 3.31Å; N528-A531 WeakPolarHBondContact OD1-CA 3.44Å; N528-A531 PolarHBondContact OD1-N 3.11Å; R529-A531 PolarHBondContact O-N 2.95Å; A531-F533 PolarHBondContact O-N 2.94Å
532	S	94.8	Very high	90.9	Very high	91 Å²	91	51.6 Å²	51.6	64%	0.636	30%	0.298	S	S	*	.	S	Bend	trans	-67.7	-21.6	171.5	60.9	0	0	0	0	112.5	N528 D530	N528-S532 PolarHBondContact ND2-OG 3.32Å; N528-S532 PolarHBondContact OD1-N 3.4Å; N528-S532 VanDerWaalsContact OD1-N 3.08Å; D530-S532 VanDerWaalsContact CG-OG 3.27Å; D530-S532 PolarHBondContact O-N 3.4Å; D530-S532 VanDerWaalsContact OD1-CB 3.27Å; D530-S532 WeakPolarHBondContact OD1-CB 3.33Å; D530-S532 PolarHBondContact OD1-N 3.5Å; D530-S532 PolarHBondContact OD1-OG 3.02Å; D530-S532 PolarHBondContact OD2-OG 2.81Å
533	F	96	Very high	89.8	Confident	68 Å²	68	54.2 Å²	54.2	30%	0.298	31%	0.313	S	S	.	.	S	Bend	trans	-123.5	119	171.4	-179.7	-98.3	0	0	0	110	V509 L513 V526 L527 N528 A531 K535	V509-F533 HydrophobicContact CG1-CE1 3.78Å; V509-F533 HydrophobicContact CG1-CZ 4.14Å; L513-F533 HydrophobicContact CD1-CE1 4.3Å; L513-F533 HydrophobicContact CD1-CZ 3.64Å; V526-F533 HydrophobicContact CG1-CD1 4.44Å; V526-F533 HydrophobicContact CG1-CE1 3.88Å; L527-F533 WeakPolarHBondContact CA-O 3.15Å; N528-F533 HydrophobicContact CB-CB 4.41Å; N528-F533 PolarHBondContact N-O 3.47Å; N528-F533 PolarHBondContact OD1-N 2.77Å; N528-F533 PolarHBondContact OD1-O 2.95Å; N528-F533 VanDerWaalsContact OD1-O 3.11Å; A531-F533 PolarHBondContact O-N 2.94Å; F533-K535 HydrophobicContact CE1-CG 4.19Å; F533-K535 HydrophobicContact CE2-CG 3.89Å; F533-K535 HydrophobicContact CZ-CB 4.43Å; F533-K535 HydrophobicContact CZ-CG 3.6Å
534	E	95.6	Very high	89.1	Confident	61 Å²	61	57.2 Å²	57.2	29%	0.285	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	131.1	172.1	-176.9	176.4	-146.4	0	0	109.6	H525 V526 L527 R570	H525-E534 IonicContact CD2-OE1 2.73Å; H525-E534 IonicContact CE1-OE1 2.97Å; H525-E534 PolarHBondContact CE1-OE1 3.22Å; H525-E534 IonicContact NE2-OE1 2.65Å; H525-E534 PolarHBondContact NE2-OE1 3.47Å; V526-E534 CarbonylContact O-C 3.56Å; V526-E534 VanDerWaalsContact O-CA 3.31Å; V526-E534 WeakPolarHBondContact O-CA 3.11Å; L527-E534 HydrophobicContact CB-CB 4.35Å; L527-E534 HydrophobicContact CB-CG 4.29Å; E534-R570 IonicContact OE1-CZ 3.99Å; E534-R570 IonicContact OE1-NE 3.89Å; E534-R570 PolarHBondContact OE1-NE 3.35Å; E534-R570 IonicContact OE1-NH2 3.07Å; E534-R570 PolarHBondContact OE1-NH2 2.99Å; E534-R570 IonicContact OE2-CZ 3.39Å; E534-R570 IonicContact OE2-NE 2.76Å; E534-R570 PolarHBondContact OE2-NE 2.91Å; E534-R570 IonicContact OE2-NH2 3.12Å; E534-R570 PolarHBondContact OE2-NH2 2.96Å
535	K	95.7	Very high	88.7	Confident	108 Å²	108	56.2 Å²	56.2	47%	0.47	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	134.8	175.4	-67.6	-66.9	-177.3	-175.8	0	109.9	L513 Y524 H525 V526 F533	L513-K535 HydrophobicContact CD1-CB 4.22Å; L513-K535 HydrophobicContact CD1-CG 4.04Å; L513-K535 HydrophobicContact CD2-CB 4.24Å; Y524-K535 HydrophobicContact CE2-CB 4.01Å; H525-K535 CarbonylContact C-O 3.55Å; H525-K535 WeakPolarHBondContact CA-O 3.43Å; V526-K535 PolarHBondContact N-O 2.98Å; V526-K535 PolarHBondContact O-N 3.37Å; F533-K535 HydrophobicContact CE1-CG 4.19Å; F533-K535 HydrophobicContact CE2-CG 3.89Å; F533-K535 HydrophobicContact CZ-CB 4.43Å; F533-K535 HydrophobicContact CZ-CG 3.6Å
536	T	94.7	Very high	88.5	Confident	33 Å²	33	57.3 Å²	57.3	20%	0.202	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	154.7	174.8	177	0	0	0	0	109.7	Y524 A538 M542	Y524-T536 VanDerWaalsContact O-CA 3.23Å; Y524-T536 WeakPolarHBondContact O-CA 3.39Å; Y524-T536 VanDerWaalsContact O-CB 3.28Å; Y524-T536 WeakPolarHBondContact O-CB 3.38Å; Y524-T536 PolarHBondContact O-OG1 3.19Å; T536-A538 HydrophobicContact CG2-CB 4.44Å; T536-A538 WeakPolarHBondContact OG1-CB 3.32Å; T536-A538 PolarHBondContact OG1-N 3.38Å; T536-M542 HydrophobicContact CG2-CE 3.32Å; T536-M542 HydrophobicContact CG2-SD 3.66Å
537	N	93.2	Very high	88.3	Confident	69 Å²	69	58.4 Å²	58.4	37%	0.369	34%	0.34	S	S	.	.			trans	-103	14.1	168.6	65.7	-9.6	0	0	0	113.2	V522 S523 Y524	V522-N537 PolarHBondContact O-ND2 2.94Å; S523-N537 VanDerWaalsContact CA-OD1 3.3Å; S523-N537 WeakPolarHBondContact CA-OD1 3.31Å; Y524-N537 HydrophobicContact CD1-CB 3.96Å; Y524-N537 VanDerWaalsContact CD1-CG 3.42Å; Y524-N537 HydrophobicContact CE1-CB 3.51Å; Y524-N537 PolarHBondContact N-OD1 3.22Å; Y524-N537 PolarHBondContact O-N 3.21Å; Y524-N537 PolarHBondContact O-OD1 3.21Å
538	A	85.9	Confident	88.2	Confident	33 Å²	33	58.3 Å²	58.3	27%	0.273	34%	0.34	S	S	.	.	S	Bend	trans	-60.7	157.1	166.7	0	0	0	0	0	110.8	T536 M542 P566	T536-A538 HydrophobicContact CG2-CB 4.44Å; T536-A538 WeakPolarHBondContact OG1-CB 3.32Å; T536-A538 PolarHBondContact OG1-N 3.38Å; A538-M542 HydrophobicContact CB-CE 4.01Å; A538-M542 HydrophobicContact CB-SD 3.88Å; A538-M542 WeakPolarHBondContact O-CE 3.11Å; A538-P566 HydrophobicContact CB-CG 4.04Å
539	A	78.9	Confident	88	Confident	44 Å²	44	57.1 Å²	57.1	36%	0.364	33%	0.333	S	S	.	.			trans	-53.6	144.3	177.7	0	0	0	0	0	110.7	S541 M542	A539-S541 PolarHBondContact O-N 3.08Å; A539-M542 VanDerWaalsContact O-CE 3.25Å; A539-M542 WeakPolarHBondContact O-CE 3.23Å; A539-M542 PolarHBondContact O-N 2.92Å
540	P	74.1	Confident	88	Confident	130 Å²	130	55 Å²	55	84%	0.844	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-24.2	-177.3	-27.3	34.3	0	0	0	114.6	M542	P540-M542 PolarHBondContact O-N 3.37Å
541	S	72.7	Confident	87.9	Confident	68 Å²	68	50.2 Å²	50.2	48%	0.476	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-31.2	173.3	60.1	0	0	0	0	112.4	A539 V543	A539-S541 PolarHBondContact O-N 3.08Å; S541-V543 VanDerWaalsContact O-CG2 3.27Å; S541-V543 WeakPolarHBondContact O-CG2 3.45Å; S541-V543 PolarHBondContact O-N 3.16Å; S541-V543 VanDerWaalsContact O-N 3.15Å
542	M	73	Confident	87.9	Confident	36 Å²	36	51.5 Å²	51.5	18%	0.177	30%	0.298	C	S	.	.			trans	55.6	22.2	-173.9	-60.7	-67.8	147	0	0	113.7	T536 A538 A539 P540 P566	T536-M542 HydrophobicContact CG2-CE 3.32Å; T536-M542 HydrophobicContact CG2-SD 3.66Å; A538-M542 HydrophobicContact CB-CE 4.01Å; A538-M542 HydrophobicContact CB-SD 3.88Å; A538-M542 WeakPolarHBondContact O-CE 3.11Å; A539-M542 VanDerWaalsContact O-CE 3.25Å; A539-M542 WeakPolarHBondContact O-CE 3.23Å; A539-M542 PolarHBondContact O-N 2.92Å; P540-M542 PolarHBondContact O-N 3.37Å; M542-P566 HydrophobicContact CB-CB 4.11Å; M542-P566 HydrophobicContact CB-CG 4.35Å; M542-P566 HydrophobicContact SD-CB 3.88Å; M542-P566 HydrophobicContact SD-CG 3.9Å
543	V	70.8	Confident	87.5	Confident	55 Å²	55	47.6 Å²	47.6	33%	0.333	27%	0.27	S	S	.	.			trans	-99.2	-27.8	-176.7	-175.8	0	0	0	0	112.2	S541 A545 H565	S541-V543 VanDerWaalsContact O-CG2 3.27Å; S541-V543 WeakPolarHBondContact O-CG2 3.45Å; S541-V543 PolarHBondContact O-N 3.16Å; S541-V543 VanDerWaalsContact O-N 3.15Å; V543-A545 PolarHBondContact O-N 2.86Å; V543-H565 PolarHBondContact O-CD2 2.92Å; V543-H565 PolarHBondContact O-NE2 3.38Å; V543-H565 VanDerWaalsContact O-NE2 3.09Å
544	D	80.5	Confident	86.7	Confident	98 Å²	98	50 Å²	50	52%	0.524	28%	0.282	S	S	.	.			trans	-78.9	126.4	-170.3	-58.6	-38.8	0	0	0	111.1
545	A	88.5	Confident	85.6	Confident	21 Å²	21	52 Å²	52	17%	0.174	30%	0.295	C	S	.	.			trans	-77.3	136.4	169	0	0	0	0	0	110.2	W369 V543 V563 T564	W369-A545 HydrophobicContact CB-CB 3.73Å; W369-A545 HydrophobicContact CG-CB 4.11Å; V543-A545 PolarHBondContact O-N 2.86Å; A545-V563 HydrophobicContact CB-CB 4.03Å; A545-V563 HydrophobicContact CB-CG1 4.23Å; A545-V563 HydrophobicContact CB-CG2 4.18Å; A545-T564 WeakPolarHBondContact CA-O 3.04Å
546	N	91.9	Very high	83.8	Confident	30 Å²	30	54.4 Å²	54.4	16%	0.16	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	112.6	170.1	177.3	6.9	0	0	0	109	K497 V548 V563 T564 N612	K497-N546 PolarHBondContact NZ-OD1 2.83Å; N546-V548 PolarHBondContact O-N 3.29Å; N546-V563 CarbonylContact O-C 3.56Å; N546-V563 VanDerWaalsContact O-CA 3.25Å; N546-V563 WeakPolarHBondContact O-CA 3.44Å; N546-T564 WeakPolarHBondContact CB-OG1 3.32Å; N546-T564 PolarHBondContact N-O 3.23Å; N546-T564 PolarHBondContact O-N 3.05Å; N546-T564 PolarHBondContact O-OG1 2.94Å; N546-N612 PolarHBondContact ND2-OD1 2.83Å; N546-N612 PolarHBondContact OD1-OD1 3.13Å
547	V	94.1	Very high	82.9	Confident	22 Å²	22	57.8 Å²	57.8	13%	0.133	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	125.9	177	178	0	0	0	0	110.1	A367 K497 W550 Q560 V563	A367-V547 HydrophobicContact CB-CG2 4.47Å; K497-V547 VanDerWaalsContact CD-O 3.31Å; K497-V547 WeakPolarHBondContact CD-O 3.41Å; K497-V547 WeakPolarHBondContact CE-O 3.44Å; K497-V547 PolarHBondContact NZ-O 3.37Å; V547-W550 HydrophobicContact CG1-CB 4.31Å; V547-W550 HydrophobicContact CG1-CE3 4.14Å; V547-Q560 HydrophobicContact CG1-CB 3.88Å; V547-Q560 HydrophobicContact CG1-CG 3.98Å; V547-Q560 HydrophobicContact CG2-CB 4.26Å; V547-Q560 HydrophobicContact CG2-CG 4.47Å; V547-V563 HydrophobicContact CG2-CG1 4.02Å
548	V	94.9	Very high	82.7	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	-16.1	-176.6	-61.9	0	0	0	0	113.9	I345 Q467 Q496 K497 N546 Y562 T564 V610	I345-V548 HydrophobicContact CB-CG2 4.09Å; I345-V548 HydrophobicContact CD1-CG2 3.61Å; I345-V548 HydrophobicContact CG1-CG2 4.43Å; I345-V548 HydrophobicContact CG2-CG2 4.26Å; Q467-V548 PolarHBondContact NE2-O 2.86Å; Q496-V548 WeakPolarHBondContact CA-O 3.34Å; K497-V548 HydrophobicContact CB-CB 4.42Å; K497-V548 HydrophobicContact CD-CG1 4.46Å; K497-V548 PolarHBondContact N-O 2.78Å; N546-V548 PolarHBondContact O-N 3.29Å; V548-Y562 WeakPolarHBondContact CG2-O 3.42Å; V548-Y562 PolarHBondContact N-O 2.94Å; V548-T564 HydrophobicContact CG1-CG2 3.97Å; V548-V610 HydrophobicContact CG1-CG1 3.8Å; V548-V610 HydrophobicContact CG1-CG2 3.89Å
549	T	94.4	Very high	82.9	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	135.9	169.3	-62	0	0	0	0	109	Q467 W487 F495 Q496 Q560 P561 Y562	Q467-T549 PolarHBondContact OE1-OG1 3.47Å; W487-T549 HydrophobicContact CH2-CG2 4.43Å; W487-T549 HydrophobicContact CZ2-CG2 3.64Å; F495-T549 WeakPolarHBondContact O-CA 3Å; Q496-T549 HydrophobicContact CG-CG2 4.08Å; Q496-T549 PolarHBondContact NE2-OG1 3.24Å; T549-Q560 CarbonylContact O-C 3.47Å; T549-P561 HydrophobicContact CG2-CG 3.95Å; T549-P561 VanDerWaalsContact O-CD 3.25Å; T549-P561 WeakPolarHBondContact O-CD 3.29Å; T549-Y562 HydrophobicContact CG2-CD2 4.19Å; T549-Y562 PolarHBondContact N-O 2.83Å
550	W	94	Very high	83.5	Confident	34 Å²	34	58.8 Å²	58.8	13%	0.129	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	163.6	171.8	68.8	99.8	0	0	0	112.2	F495 K497 V547 V559 Q560 Y614	F495-W550 HydrophobicContact CB-CD2 3.62Å; F495-W550 HydrophobicContact CB-CE3 4.12Å; F495-W550 HydrophobicContact CB-CG 4.14Å; F495-W550 HydrophobicContact CB-CH2 3.84Å; F495-W550 HydrophobicContact CB-CZ2 3.32Å; F495-W550 HydrophobicContact CB-CZ3 4.21Å; F495-W550 HydrophobicContact CD1-CZ2 4.19Å; F495-W550 AromaticContact CD2-CD1 3.78Å; F495-W550 AromaticContact CD2-NE1 3.46Å; F495-W550 HydrophobicContact CG-CD2 4.45Å; F495-W550 AromaticContact CG-CE2 3.68Å; F495-W550 AromaticContact CG-CZ2 3.89Å; F495-W550 HydrophobicContact CG-CZ2 3.89Å; F495-W550 AromaticContact CG-NE1 3.45Å; F495-W550 PolarHBondContact N-O 3.48Å; F495-W550 PolarHBondContact O-N 2.89Å; F495-W550 VanDerWaalsContact O-O 3.12Å; K497-W550 HydrophobicContact CG-CZ3 4.21Å; V547-W550 HydrophobicContact CG1-CB 4.31Å; V547-W550 HydrophobicContact CG1-CE3 4.14Å; W550-V559 CarbonylContact C-O 3.55Å; W550-V559 WeakPolarHBondContact CA-O 3.27Å; W550-V559 VanDerWaalsContact CB-O 3.28Å; W550-V559 WeakPolarHBondContact CB-O 3.23Å; W550-Q560 HydrophobicContact CB-CB 4.44Å; W550-Q560 HydrophobicContact CB-CG 3.84Å; W550-Y614 AromaticContact CH2-CD1 3.63Å; W550-Y614 HydrophobicContact CH2-CD1 3.63Å; W550-Y614 HydrophobicContact CH2-CD2 4.02Å; W550-Y614 AromaticContact CH2-CE1 3.84Å; W550-Y614 HydrophobicContact CH2-CE1 3.84Å; W550-Y614 HydrophobicContact CH2-CE2 4.21Å; W550-Y614 AromaticContact CH2-CG 3.71Å; W550-Y614 HydrophobicContact CH2-CG 3.71Å; W550-Y614 HydrophobicContact CZ2-CD1 4.15Å; W550-Y614 HydrophobicContact CZ2-CD2 4.19Å; W550-Y614 AromaticContact CZ2-CE1 3.89Å; W550-Y614 HydrophobicContact CZ2-CE1 3.89Å; W550-Y614 AromaticContact CZ2-CE2 3.94Å; W550-Y614 HydrophobicContact CZ2-CE2 3.94Å; W550-Y614 HydrophobicContact CZ2-CG 4.28Å; W550-Y614 AromaticContact CZ2-CZ 3.78Å
551	G	92	Very high	84.4	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	148.2	177.5	0	0	0	0	0	111.4	H493 C558 V559	H493-G551 CarbonylContact O-C 3.41Å; H493-G551 WeakPolarHBondContact O-CA 3.41Å; G551-C558 WeakPolarHBondContact O-CA 3.42Å; G551-V559 PolarHBondContact N-O 3.12Å; G551-V559 PolarHBondContact O-N 3Å
552	I	91.1	Very high	85.4	Confident	81 Å²	81	50.5 Å²	50.5	42%	0.415	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	118.7	174.8	-55.9	176.2	0	0	0	107.2	G492 H493 F495	G492-I552 VanDerWaalsContact CA-O 3.3Å; G492-I552 WeakPolarHBondContact CA-O 3.45Å; H493-I552 PolarHBondContact N-O 2.7Å; H493-I552 PolarHBondContact O-N 3.29Å; F495-I552 HydrophobicContact CE2-CB 4.48Å; F495-I552 HydrophobicContact CE2-CD1 3.79Å; F495-I552 HydrophobicContact CE2-CG1 3.98Å; F495-I552 HydrophobicContact CZ-CD1 4.24Å
553	F	86.6	Confident	86.4	Confident	8 Å²	8	48.8 Å²	48.8	4%	0.035	25%	0.252	C	S	.	.			trans	-115.7	168.4	-175.4	-54.3	-60.3	0	0	0	111.8	I325 W487 E489 N556 R557 V559	I325-F553 HydrophobicContact CD1-CD2 4.03Å; I325-F553 HydrophobicContact CG1-CD2 3.75Å; I325-F553 HydrophobicContact CG1-CE2 3.85Å; I325-F553 HydrophobicContact CG1-CG 4.49Å; W487-F553 HydrophobicContact CE3-CE2 4.48Å; W487-F553 AromaticContact CE3-CZ 3.86Å; W487-F553 HydrophobicContact CE3-CZ 3.86Å; W487-F553 HydrophobicContact CH2-CE2 4.47Å; W487-F553 HydrophobicContact CH2-CZ 4Å; W487-F553 AromaticContact CZ3-CE2 3.77Å; W487-F553 HydrophobicContact CZ3-CE2 3.77Å; W487-F553 AromaticContact CZ3-CZ 3.39Å; W487-F553 HydrophobicContact CZ3-CZ 3.39Å; E489-F553 HydrophobicContact CB-CB 4.42Å; E489-F553 HydrophobicContact CB-CD1 4.28Å; F553-N556 PolarHBondContact O-N 3.36Å; F553-R557 PolarHBondContact N-O 3.14Å; F553-V559 HydrophobicContact CD2-CG2 3.86Å; F553-V559 HydrophobicContact CE2-CB 3.97Å; F553-V559 HydrophobicContact CE2-CG2 3.77Å
554	H	77.3	Confident	87.5	Confident	120 Å²	120	46.8 Å²	46.8	56%	0.556	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	149.5	171.7	-77	-74.4	0	0	0	110	L490	L490-H554 PolarHBondContact O-CD2 2.89Å
555	D	74.4	Confident	88	Confident	103 Å²	103	42.3 Å²	42.3	55%	0.551	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.6	12.3	-169.9	81.8	19.8	0	0	0	117.6	R557	D555-R557 VanDerWaalsContact C-N 3.26Å; D555-R557 PolarHBondContact O-N 3.33Å; D555-R557 VanDerWaalsContact OD1-CB 3.27Å; D555-R557 WeakPolarHBondContact OD1-CB 3.38Å; D555-R557 WeakPolarHBondContact OD1-CD 3.38Å; D555-R557 WeakPolarHBondContact OD1-CG 3.46Å; D555-R557 IonicContact OD1-CZ 3.65Å; D555-R557 PolarHBondContact OD1-N 3.49Å; D555-R557 VanDerWaalsContact OD1-N 3.16Å; D555-R557 IonicContact OD1-NE 2.79Å; D555-R557 PolarHBondContact OD1-NE 2.83Å; D555-R557 IonicContact OD1-NH2 2.77Å; D555-R557 IonicContact OD2-CZ 3.71Å; D555-R557 IonicContact OD2-NE 3.31Å; D555-R557 PolarHBondContact OD2-NE 2.65Å; D555-R557 IonicContact OD2-NH2 3.42Å; D555-R557 PolarHBondContact OD2-NH2 3.41Å
556	N	56.7	Low	88.1	Confident	157 Å²	157	41.7 Å²	41.7	84%	0.84	21%	0.211	S	C	*	.	S	Bend	trans	67.2	17.6	-179.6	-57.3	-43.8	0	0	0	114.7	F553 C558	F553-N556 PolarHBondContact O-N 3.36Å; N556-C558 PolarHBondContact O-N 2.99Å; N556-C558 VanDerWaalsContact O-N 3.15Å
557	R	76.9	Confident	87.9	Confident	105 Å²	105	43.7 Å²	43.7	40%	0.396	22%	0.22	S	C	.	.			trans	-67.5	110.3	168	-83.7	179.6	-69.3	161.9	3.3	111.1	E489 F553 D555	E489-R557 IonicContact OE1-CZ 2.7Å; E489-R557 IonicContact OE1-NH1 3.43Å; E489-R557 PolarHBondContact OE1-NH1 2.99Å; E489-R557 IonicContact OE1-NH2 3.48Å; E489-R557 PolarHBondContact OE1-NH2 3.08Å; E489-R557 IonicContact OE2-NH2 3.28Å; E489-R557 PolarHBondContact OE2-NH2 2.99Å; F553-R557 PolarHBondContact N-O 3.14Å; D555-R557 VanDerWaalsContact C-N 3.26Å; D555-R557 PolarHBondContact O-N 3.33Å; D555-R557 VanDerWaalsContact OD1-CB 3.27Å; D555-R557 WeakPolarHBondContact OD1-CB 3.38Å; D555-R557 WeakPolarHBondContact OD1-CD 3.38Å; D555-R557 WeakPolarHBondContact OD1-CG 3.46Å; D555-R557 IonicContact OD1-CZ 3.65Å; D555-R557 PolarHBondContact OD1-N 3.49Å; D555-R557 VanDerWaalsContact OD1-N 3.16Å; D555-R557 IonicContact OD1-NE 2.79Å; D555-R557 PolarHBondContact OD1-NE 2.83Å; D555-R557 IonicContact OD1-NH2 2.77Å; D555-R557 IonicContact OD2-CZ 3.71Å; D555-R557 IonicContact OD2-NE 3.31Å; D555-R557 PolarHBondContact OD2-NE 2.65Å; D555-R557 IonicContact OD2-NH2 3.42Å; D555-R557 PolarHBondContact OD2-NH2 3.41Å
558	C	88	Confident	87.8	Confident	77 Å²	77	42.9 Å²	42.9	52%	0.52	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	126.1	163.2	-175.1	0	0	0	0	109	G551 N556	G551-C558 WeakPolarHBondContact O-CA 3.42Å; N556-C558 PolarHBondContact O-N 2.99Å; N556-C558 VanDerWaalsContact O-N 3.15Å
559	V	89.8	Confident	87.7	Confident	17 Å²	17	42.9 Å²	42.9	10%	0.103	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.7	-179.8	-174	0	0	0	0	108.8	I325 L326 W550 G551 F553 P561	I325-V559 HydrophobicContact CD1-CG2 4.2Å; I325-V559 HydrophobicContact CG1-CG2 4.19Å; L326-V559 HydrophobicContact CD2-CG1 3.51Å; W550-V559 CarbonylContact C-O 3.55Å; W550-V559 WeakPolarHBondContact CA-O 3.27Å; W550-V559 VanDerWaalsContact CB-O 3.28Å; W550-V559 WeakPolarHBondContact CB-O 3.23Å; G551-V559 PolarHBondContact N-O 3.12Å; G551-V559 PolarHBondContact O-N 3Å; F553-V559 HydrophobicContact CD2-CG2 3.86Å; F553-V559 HydrophobicContact CE2-CB 3.97Å; F553-V559 HydrophobicContact CE2-CG2 3.77Å; V559-P561 VanDerWaalsContact C-CD 3.5Å; V559-P561 WeakPolarHBondContact O-CD 3.35Å
560	Q	92.5	Very high	87.6	Confident	73 Å²	73	46.7 Å²	46.7	34%	0.341	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	70.5	-174.8	-65	176.3	-54.1	0	0	110.3	V342 A367 V547 T549 W550 Y562	V342-Q560 WeakPolarHBondContact CG2-O 3.34Å; A367-Q560 HydrophobicContact CB-CB 3.65Å; A367-Q560 HydrophobicContact CB-CG 4.28Å; V547-Q560 HydrophobicContact CG1-CB 3.88Å; V547-Q560 HydrophobicContact CG1-CG 3.98Å; V547-Q560 HydrophobicContact CG2-CB 4.26Å; V547-Q560 HydrophobicContact CG2-CG 4.47Å; T549-Q560 CarbonylContact O-C 3.47Å; W550-Q560 HydrophobicContact CB-CB 4.44Å; W550-Q560 HydrophobicContact CB-CG 3.84Å; Q560-Y562 PolarHBondContact O-N 3.13Å
561	P	91.6	Very high	87.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	-26.1	-163.9	28.9	-37.1	0	0	0	115.2	L326 P327 W328 R341 V342 R343 W487 T549 V559	L326-P561 HydrophobicContact CD2-CB 4.02Å; P327-P561 VanDerWaalsContact CD-CB 3.44Å; P327-P561 HydrophobicContact CG-CB 3.74Å; P327-P561 HydrophobicContact CG-CG 3.59Å; W328-P561 HydrophobicContact CH2-CB 3.66Å; W328-P561 VanDerWaalsContact CH2-O 3.3Å; W328-P561 WeakPolarHBondContact CH2-O 3.36Å; W328-P561 HydrophobicContact CZ3-CB 3.69Å; R341-P561 WeakPolarHBondContact O-CA 3.41Å; V342-P561 WeakPolarHBondContact CA-O 2.91Å; R343-P561 PolarHBondContact N-O 2.79Å; W487-P561 HydrophobicContact CH2-CG 3.68Å; W487-P561 HydrophobicContact CZ2-CG 4.03Å; W487-P561 HydrophobicContact CZ3-CG 4.16Å; T549-P561 HydrophobicContact CG2-CG 3.95Å; T549-P561 VanDerWaalsContact O-CD 3.25Å; T549-P561 WeakPolarHBondContact O-CD 3.29Å; V559-P561 VanDerWaalsContact C-CD 3.5Å; V559-P561 WeakPolarHBondContact O-CD 3.35Å
562	Y	94.6	Very high	87.6	Confident	23 Å²	23	47.7 Å²	47.7	9%	0.09	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.8	-179.6	-64.9	-64.1	0	0	0	112.4	P327 W328 R343 I345 K348 V548 T549 Q560	P327-Y562 HydrophobicContact CB-CE2 3.69Å; P327-Y562 HydrophobicContact CG-CD2 4.23Å; P327-Y562 HydrophobicContact CG-CE2 3.6Å; W328-Y562 HydrophobicContact CE3-CE1 4.18Å; W328-Y562 AromaticContact CE3-CZ 3.93Å; W328-Y562 HydrophobicContact CZ3-CD1 4.23Å; W328-Y562 AromaticContact CZ3-CE1 3.69Å; W328-Y562 HydrophobicContact CZ3-CE1 3.69Å; W328-Y562 HydrophobicContact CZ3-CE2 4.33Å; W328-Y562 AromaticContact CZ3-CZ 3.74Å; R343-Y562 HydrophobicContact CB-CD1 4.3Å; R343-Y562 HydrophobicContact CB-CE1 4.24Å; R343-Y562 WeakPolarHBondContact O-CA 3.14Å; I345-Y562 HydrophobicContact CB-CD1 4.49Å; K348-Y562 HydrophobicContact CB-CE1 4.4Å; K348-Y562 HydrophobicContact CG-CE1 4.5Å; V548-Y562 WeakPolarHBondContact CG2-O 3.42Å; V548-Y562 PolarHBondContact N-O 2.94Å; T549-Y562 HydrophobicContact CG2-CD2 4.19Å; T549-Y562 PolarHBondContact N-O 2.83Å; Q560-Y562 PolarHBondContact O-N 3.13Å
563	V	94.2	Very high	87.8	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	156.3	177	-57.9	0	0	0	0	110.7	V342 R343 P344 I345 A545 N546 V547	V342-V563 HydrophobicContact CG1-CB 4.31Å; V342-V563 HydrophobicContact CG1-CG1 3.63Å; V342-V563 HydrophobicContact CG1-CG2 3.73Å; R343-V563 PolarHBondContact O-N 2.88Å; P344-V563 CarbonylContact C-O 3.52Å; P344-V563 VanDerWaalsContact CA-O 3.31Å; P344-V563 WeakPolarHBondContact CA-O 3.41Å; I345-V563 PolarHBondContact N-O 3.42Å; A545-V563 HydrophobicContact CB-CB 4.03Å; A545-V563 HydrophobicContact CB-CG1 4.23Å; A545-V563 HydrophobicContact CB-CG2 4.18Å; N546-V563 CarbonylContact O-C 3.56Å; N546-V563 VanDerWaalsContact O-CA 3.25Å; N546-V563 WeakPolarHBondContact O-CA 3.44Å; V547-V563 HydrophobicContact CG2-CG1 4.02Å
564	T	93.9	Very high	88.1	Confident	14 Å²	14	48 Å²	48	9%	0.086	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	137.1	157.4	53.7	0	0	0	0	108.7	I345 Y346 Y499 A545 N546 V548 V610	I345-T564 HydrophobicContact CG2-CG2 3.64Å; Y346-T564 HydrophobicContact CE1-CG2 4.1Å; Y346-T564 WeakPolarHBondContact OH-CA 3.42Å; Y346-T564 VanDerWaalsContact OH-CB 3.22Å; Y346-T564 WeakPolarHBondContact OH-CB 3.46Å; Y499-T564 HydrophobicContact CD2-CG2 4.27Å; Y499-T564 HydrophobicContact CE2-CG2 3.84Å; A545-T564 WeakPolarHBondContact CA-O 3.04Å; N546-T564 WeakPolarHBondContact CB-OG1 3.32Å; N546-T564 PolarHBondContact N-O 3.23Å; N546-T564 PolarHBondContact O-N 3.05Å; N546-T564 PolarHBondContact O-OG1 2.94Å; V548-T564 HydrophobicContact CG1-CG2 3.97Å; T564-V610 HydrophobicContact CG2-CG2 3.74Å
565	H	91.4	Very high	88.9	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.019	21%	0.212	C	C	.	.			trans	-142.7	125.8	-179.5	-177.6	-89.6	0	0	0	110.1	Y346 W369 V543 M567 A568 F569	Y346-H565 PolarHBondContact OH-N 3.21Å; Y346-H565 VanDerWaalsContact OH-N 3.12Å; W369-H565 AromaticContact CD2-CD2 3.6Å; W369-H565 AromaticContact CD2-CG 3.9Å; W369-H565 AromaticContact CD2-NE2 3.79Å; W369-H565 AromaticContact CE3-CD2 3.42Å; W369-H565 VanDerWaalsContact CE3-CD2 3.42Å; W369-H565 AromaticContact CE3-CE1 3.33Å; W369-H565 AromaticContact CE3-CG 3.87Å; W369-H565 AromaticContact CE3-ND1 3.79Å; W369-H565 AromaticContact CE3-NE2 3.08Å; W369-H565 AromaticContact CH2-CE1 3.5Å; W369-H565 AromaticContact CH2-ND1 3.45Å; W369-H565 WeakPolarHBondContact CH2-ND1 3.25Å; W369-H565 AromaticContact CZ2-ND1 3.87Å; W369-H565 AromaticContact CZ3-CD2 3.89Å; W369-H565 AromaticContact CZ3-CE1 2.98Å; W369-H565 WeakPolarHBondContact CZ3-CE1 3.34Å; W369-H565 AromaticContact CZ3-CG 3.98Å; W369-H565 AromaticContact CZ3-ND1 3.43Å; W369-H565 WeakPolarHBondContact CZ3-ND1 3.44Å; W369-H565 AromaticContact CZ3-NE2 3.29Å; W369-H565 VanDerWaalsContact CZ3-NE2 3.29Å; W369-H565 WeakPolarHBondContact CZ3-NE2 3.27Å; V543-H565 PolarHBondContact O-CD2 2.92Å; V543-H565 PolarHBondContact O-NE2 3.38Å; V543-H565 VanDerWaalsContact O-NE2 3.09Å; H565-M567 VanDerWaalsContact CE1-CB 3.4Å; H565-M567 WeakPolarHBondContact CE1-CB 3.42Å; H565-M567 PolarHBondContact ND1-N 3.34Å; H565-M567 PolarHBondContact O-N 2.87Å; H565-A568 HydrophobicContact CB-CB 4.04Å; H565-A568 PolarHBondContact ND1-N 3.48Å; H565-A568 WeakPolarHBondContact O-CB 3.49Å; H565-A568 PolarHBondContact O-N 2.8Å; H565-F569 PolarHBondContact O-N 3.12Å
566	P	90.7	Very high	89.9	Confident	8 Å²	8	37.4 Å²	37.4	5%	0.052	19%	0.185	C	C	.	.	H	α-helix	trans	-55.8	-43.1	-172	-28.9	36.1	0	0	0	114.5	A538 M542 A568 F569 R570	A538-P566 HydrophobicContact CB-CG 4.04Å; M542-P566 HydrophobicContact CB-CB 4.11Å; M542-P566 HydrophobicContact CB-CG 4.35Å; M542-P566 HydrophobicContact SD-CB 3.88Å; M542-P566 HydrophobicContact SD-CG 3.9Å; P566-A568 VanDerWaalsContact C-N 3.34Å; P566-A568 PolarHBondContact O-N 2.91Å; P566-F569 WeakPolarHBondContact O-CB 3.45Å; P566-F569 PolarHBondContact O-N 3.19Å; P566-R570 WeakPolarHBondContact O-CG 3.25Å; P566-R570 PolarHBondContact O-N 2.64Å
567	M	87.6	Confident	91.9	Very high	71 Å²	71	30 Å²	30	35%	0.35	15%	0.146	S	C	.	.	H	α-helix	trans	-68.4	-35	178.9	-163.4	61.9	70.1	0	0	112.4	H565 F569 R570 Q571	H565-M567 VanDerWaalsContact CE1-CB 3.4Å; H565-M567 WeakPolarHBondContact CE1-CB 3.42Å; H565-M567 PolarHBondContact ND1-N 3.34Å; H565-M567 PolarHBondContact O-N 2.87Å; M567-F569 VanDerWaalsContact C-N 3.31Å; M567-R570 PolarHBondContact O-N 2.99Å; M567-Q571 WeakPolarHBondContact O-CG 3.22Å; M567-Q571 PolarHBondContact O-N 2.7Å
568	A	90.3	Very high	92.7	Very high	6 Å²	6	28.7 Å²	28.7	5%	0.05	15%	0.147	C	C	.	.	H	α-helix	trans	-69.6	-36	177.2	0	0	0	0	0	110.2	P344 Y346 W347 H565 P566 Q571 W572	P344-A568 HydrophobicContact CB-CB 3.87Å; P344-A568 HydrophobicContact CG-CB 3.69Å; Y346-A568 HydrophobicContact CD2-CB 4.29Å; Y346-A568 HydrophobicContact CE2-CB 4.1Å; W347-A568 WeakPolarHBondContact CH2-O 3.36Å; W347-A568 HydrophobicContact CZ3-CB 4.28Å; H565-A568 HydrophobicContact CB-CB 4.04Å; H565-A568 PolarHBondContact ND1-N 3.48Å; H565-A568 WeakPolarHBondContact O-CB 3.49Å; H565-A568 PolarHBondContact O-N 2.8Å; P566-A568 VanDerWaalsContact C-N 3.34Å; P566-A568 PolarHBondContact O-N 2.91Å; A568-Q571 PolarHBondContact O-N 2.82Å; A568-W572 VanDerWaalsContact O-CB 3.32Å; A568-W572 WeakPolarHBondContact O-CB 3.47Å; A568-W572 PolarHBondContact O-N 3.15Å
569	F	93.9	Very high	92.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.3	-41.3	175.3	-163	-130.3	0	0	0	112.4	Y346 E501 H525 L527 H565 P566 M567 Q571 W572 K573 L606 S608	Y346-F569 AromaticContact CD1-CD2 3.5Å; Y346-F569 HydrophobicContact CD1-CD2 3.5Å; Y346-F569 AromaticContact CD1-CE2 3.93Å; Y346-F569 HydrophobicContact CD1-CE2 3.93Å; Y346-F569 HydrophobicContact CD2-CB 4.39Å; Y346-F569 HydrophobicContact CD2-CD2 4.24Å; Y346-F569 HydrophobicContact CE1-CB 4.27Å; Y346-F569 AromaticContact CE1-CD2 3.25Å; Y346-F569 HydrophobicContact CE1-CD2 3.25Å; Y346-F569 AromaticContact CE1-CE2 3.8Å; Y346-F569 HydrophobicContact CE1-CE2 3.8Å; Y346-F569 AromaticContact CE1-CG 3.98Å; Y346-F569 HydrophobicContact CE1-CG 3.98Å; Y346-F569 HydrophobicContact CE2-CB 3.69Å; Y346-F569 HydrophobicContact CE2-CD2 4.04Å; Y346-F569 HydrophobicContact CE2-CG 4.29Å; Y346-F569 HydrophobicContact CG-CD2 4Å; Y346-F569 AromaticContact CZ-CD2 3.54Å; Y346-F569 AromaticContact CZ-CG 3.83Å; E501-F569 HydrophobicContact CG-CE2 4.47Å; H525-F569 HydrophobicContact CB-CD1 3.76Å; H525-F569 HydrophobicContact CB-CE1 3.8Å; H525-F569 AromaticContact CD2-CD1 3.91Å; H525-F569 AromaticContact CE1-CD1 3.8Å; H525-F569 AromaticContact CG-CD1 3.42Å; H525-F569 VanDerWaalsContact CG-CD1 3.42Å; H525-F569 AromaticContact CG-CE1 3.83Å; H525-F569 AromaticContact ND1-CD1 3.38Å; H525-F569 WeakPolarHBondContact ND1-CD1 3.21Å; H525-F569 WeakPolarHBondContact O-CE1 3.46Å; L527-F569 HydrophobicContact CD2-CD1 3.19Å; L527-F569 HydrophobicContact CD2-CE1 3.19Å; L527-F569 HydrophobicContact CD2-CG 4.28Å; L527-F569 HydrophobicContact CD2-CZ 4.28Å; L527-F569 HydrophobicContact CG-CD1 4.43Å; L527-F569 HydrophobicContact CG-CE1 4.12Å; H565-F569 PolarHBondContact O-N 3.12Å; P566-F569 WeakPolarHBondContact O-CB 3.45Å; P566-F569 PolarHBondContact O-N 3.19Å; M567-F569 VanDerWaalsContact C-N 3.31Å; F569-Q571 VanDerWaalsContact C-N 3.31Å; F569-Q571 PolarHBondContact O-N 2.9Å; F569-W572 AromaticContact CD2-CD1 3.99Å; F569-W572 PolarHBondContact O-N 2.95Å; F569-K573 PolarHBondContact O-N 2.97Å; F569-L606 HydrophobicContact CD2-CD2 4.43Å; F569-L606 HydrophobicContact CE2-CD2 3.65Å; F569-L606 HydrophobicContact CE2-CG 3.94Å; F569-L606 HydrophobicContact CZ-CD2 3.77Å; F569-L606 HydrophobicContact CZ-CG 3.66Å; F569-S608 VanDerWaalsContact CZ-CB 3.45Å
570	R	92	Very high	93.2	Very high	80 Å²	80	24.9 Å²	24.9	30%	0.302	12%	0.12	S	C	.	.	H	α-helix	trans	-60.4	-37.4	173.9	-73.3	177.7	-178.4	160.3	-3.7	113.3	E534 P566 M567 K573	E534-R570 IonicContact OE1-CZ 3.99Å; E534-R570 IonicContact OE1-NE 3.89Å; E534-R570 PolarHBondContact OE1-NE 3.35Å; E534-R570 IonicContact OE1-NH2 3.07Å; E534-R570 PolarHBondContact OE1-NH2 2.99Å; E534-R570 IonicContact OE2-CZ 3.39Å; E534-R570 IonicContact OE2-NE 2.76Å; E534-R570 PolarHBondContact OE2-NE 2.91Å; E534-R570 IonicContact OE2-NH2 3.12Å; E534-R570 PolarHBondContact OE2-NH2 2.96Å; P566-R570 WeakPolarHBondContact O-CG 3.25Å; P566-R570 PolarHBondContact O-N 2.64Å; M567-R570 PolarHBondContact O-N 2.99Å; R570-K573 VanDerWaalsContact O-CB 3.23Å; R570-K573 WeakPolarHBondContact O-CB 3.23Å
571	Q	90.8	Very high	93.2	Very high	52 Å²	52	23.9 Å²	23.9	24%	0.243	12%	0.115	C	C	.	.	H	α-helix	trans	-78.4	-33.8	177.4	-65.1	-179.5	19	0	0	112	L377 M567 A568 F569 K573	L377-Q571 HydrophobicContact CD1-CB 3.94Å; L377-Q571 VanDerWaalsContact N-OE1 3.16Å; M567-Q571 WeakPolarHBondContact O-CG 3.22Å; M567-Q571 PolarHBondContact O-N 2.7Å; A568-Q571 PolarHBondContact O-N 2.82Å; F569-Q571 VanDerWaalsContact C-N 3.31Å; F569-Q571 PolarHBondContact O-N 2.9Å; Q571-K573 VanDerWaalsContact C-N 3.34Å
572	W	94.7	Very high	93.1	Very high	3 Å²	3	25 Å²	25	1%	0.011	12%	0.12	C	C	.	.	H	α-helix	trans	-64.4	-37.7	173	168.2	-117	0	0	0	112.5	Y346 W347 R350 W435 I464 E501 A568 F569 D574 E575 A576	Y346-W572 HydrophobicContact CD2-CB 4.47Å; Y346-W572 HydrophobicContact CG-CB 4.43Å; Y346-W572 HydrophobicContact CG-CG 4.25Å; W347-W572 AromaticContact CD1-CE3 3.88Å; W347-W572 AromaticContact CD1-CZ3 3.88Å; W347-W572 HydrophobicContact CD2-CE3 4.08Å; W347-W572 AromaticContact CE2-CE3 3.54Å; W347-W572 HydrophobicContact CG-CE3 4.28Å; W347-W572 HydrophobicContact CH2-CB 3.55Å; W347-W572 HydrophobicContact CZ2-CB 3.78Å; W347-W572 AromaticContact CZ2-CE3 3.93Å; W347-W572 HydrophobicContact CZ2-CE3 3.93Å; W347-W572 HydrophobicContact CZ3-CB 4.01Å; W347-W572 AromaticContact NE1-CE3 3.4Å; W347-W572 AromaticContact NE1-CZ3 3.71Å; R350-W572 VanDerWaalsContact CD-CH2 3.47Å; W435-W572 AromaticContact CD1-CZ2 3.98Å; I464-W572 HydrophobicContact CD1-CZ2 4.37Å; E501-W572 PolarHBondContact OE1-NE1 2.75Å; A568-W572 VanDerWaalsContact O-CB 3.32Å; A568-W572 WeakPolarHBondContact O-CB 3.47Å; A568-W572 PolarHBondContact O-N 3.15Å; F569-W572 AromaticContact CD2-CD1 3.99Å; F569-W572 PolarHBondContact O-N 2.95Å; W572-D574 VanDerWaalsContact C-N 3.28Å; W572-D574 PolarHBondContact O-N 3.39Å; W572-D574 VanDerWaalsContact O-N 3.16Å; W572-E575 HydrophobicContact CE3-CB 3.87Å; W572-E575 HydrophobicContact CE3-CG 4.17Å; W572-E575 HydrophobicContact CZ3-CB 3.88Å; W572-E575 HydrophobicContact CZ3-CG 3.69Å; W572-E575 WeakPolarHBondContact O-CB 3.48Å; W572-E575 PolarHBondContact O-N 2.88Å; W572-A576 HydrophobicContact CD2-CB 4.18Å; W572-A576 HydrophobicContact CH2-CB 4.36Å; W572-A576 HydrophobicContact CZ2-CB 3.75Å; W572-A576 PolarHBondContact O-N 3.26Å
573	K	95.3	Very high	93	Very high	19 Å²	19	23.9 Å²	23.9	8%	0.083	12%	0.116	C	C	.	.	H	α-helix	trans	-37.1	-57.4	175.8	176.8	-167.9	60.6	79.9	0	112.6	L527 N528 R529 F569 R570 Q571 E575 A576 F577	L527-K573 HydrophobicContact CD1-CB 3.5Å; L527-K573 HydrophobicContact CD1-CD 3.18Å; L527-K573 HydrophobicContact CD1-CG 3.25Å; N528-K573 WeakPolarHBondContact O-CD 3.4Å; R529-K573 PolarHBondContact O-NZ 2.84Å; F569-K573 PolarHBondContact O-N 2.97Å; R570-K573 VanDerWaalsContact O-CB 3.23Å; R570-K573 WeakPolarHBondContact O-CB 3.23Å; Q571-K573 VanDerWaalsContact C-N 3.34Å; K573-E575 VanDerWaalsContact C-N 3.32Å; K573-E575 PolarHBondContact O-N 2.93Å; K573-A576 WeakPolarHBondContact O-CB 3.39Å; K573-A576 PolarHBondContact O-N 3.12Å; K573-F577 HydrophobicContact CG-CD2 3.77Å; K573-F577 HydrophobicContact CG-CE2 3.96Å; K573-F577 VanDerWaalsContact O-CD2 3.32Å; K573-F577 WeakPolarHBondContact O-CD2 3.38Å; K573-F577 PolarHBondContact O-N 3.17Å
574	D	93.1	Very high	93	Very high	75 Å²	75	24.3 Å²	24.3	40%	0.401	12%	0.118	S	C	.	.	H	α-helix	trans	-61.8	-43	-173.6	-72.4	-48.1	0	0	0	111.5	W572 N578	W572-D574 VanDerWaalsContact C-N 3.28Å; W572-D574 PolarHBondContact O-N 3.39Å; W572-D574 VanDerWaalsContact O-N 3.16Å; D574-N578 VanDerWaalsContact O-CB 3.26Å; D574-N578 WeakPolarHBondContact O-CB 3.2Å; D574-N578 PolarHBondContact O-N 3.13Å; D574-N578 PolarHBondContact O-ND2 3.38Å; D574-N578 VanDerWaalsContact O-ND2 3.16Å
575	E	94.1	Very high	92.9	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.009	14%	0.14	C	C	.	.	H	α-helix	trans	-64.9	-43.4	175.9	-170.5	174.1	158.3	0	0	112.1	W347 R350 A353 R357 L380 W572 K573 N578 Q579	W347-E575 PolarHBondContact NE1-OE2 3.23Å; R350-E575 IonicContact CZ-OE1 3.56Å; R350-E575 VanDerWaalsContact CZ-OE1 3.29Å; R350-E575 IonicContact NE-OE1 3.24Å; R350-E575 PolarHBondContact NE-OE1 3.27Å; R350-E575 IonicContact NH2-OE1 2.71Å; R350-E575 PolarHBondContact NH2-OE1 2.9Å; A353-E575 VanDerWaalsContact CB-OE1 3.3Å; A353-E575 WeakPolarHBondContact CB-OE1 3.38Å; R357-E575 IonicContact CZ-OE2 2.65Å; R357-E575 IonicContact NE-OE2 3.4Å; R357-E575 PolarHBondContact NE-OE2 2.95Å; R357-E575 IonicContact NH2-OE2 2.76Å; R357-E575 PolarHBondContact NH2-OE2 3.49Å; R357-E575 VanDerWaalsContact NH2-OE2 3.12Å; L380-E575 HydrophobicContact CD1-CG 3.93Å; W572-E575 HydrophobicContact CE3-CB 3.87Å; W572-E575 HydrophobicContact CE3-CG 4.17Å; W572-E575 HydrophobicContact CZ3-CB 3.88Å; W572-E575 HydrophobicContact CZ3-CG 3.69Å; W572-E575 WeakPolarHBondContact O-CB 3.48Å; W572-E575 PolarHBondContact O-N 2.88Å; K573-E575 VanDerWaalsContact C-N 3.32Å; K573-E575 PolarHBondContact O-N 2.93Å; E575-N578 PolarHBondContact O-N 2.97Å; E575-Q579 WeakPolarHBondContact O-CG 3.3Å; E575-Q579 PolarHBondContact O-N 3.39Å; E575-Q579 PolarHBondContact O-NE2 3.37Å
576	A	96.3	Very high	93	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.7	-46.3	179.4	0	0	0	0	0	111.3	W435 F503 W572 K573 Q579 L606	W435-A576 PolarHBondContact NE1-O 3.35Å; F503-A576 HydrophobicContact CZ-CB 3.93Å; W572-A576 HydrophobicContact CD2-CB 4.18Å; W572-A576 HydrophobicContact CH2-CB 4.36Å; W572-A576 HydrophobicContact CZ2-CB 3.75Å; W572-A576 PolarHBondContact O-N 3.26Å; K573-A576 WeakPolarHBondContact O-CB 3.39Å; K573-A576 PolarHBondContact O-N 3.12Å; A576-Q579 WeakPolarHBondContact O-CB 3.3Å; A576-Q579 PolarHBondContact O-N 3.3Å; A576-L606 HydrophobicContact CB-CD2 3.96Å
577	F	97.1	Very high	93.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-69	-37.1	177.2	-85.5	-84	0	0	0	112.2	F503 R529 K573 Q579 W580 Y601 Y604 L606	F503-F577 HydrophobicContact CD1-CE1 4.1Å; F503-F577 HydrophobicContact CD1-CZ 4.11Å; F503-F577 AromaticContact CE1-CD1 3.84Å; F503-F577 HydrophobicContact CE1-CD1 3.84Å; F503-F577 AromaticContact CE1-CD2 3.98Å; F503-F577 HydrophobicContact CE1-CD2 3.98Å; F503-F577 AromaticContact CE1-CE1 3.68Å; F503-F577 HydrophobicContact CE1-CE1 3.68Å; F503-F577 AromaticContact CE1-CE2 3.83Å; F503-F577 HydrophobicContact CE1-CE2 3.83Å; F503-F577 AromaticContact CE1-CG 3.99Å; F503-F577 HydrophobicContact CE1-CG 3.99Å; F503-F577 AromaticContact CE1-CZ 3.68Å; F503-F577 HydrophobicContact CE1-CZ 3.68Å; F503-F577 HydrophobicContact CZ-CG 4.5Å; R529-F577 HydrophobicContact CB-CD1 3.76Å; R529-F577 HydrophobicContact CB-CD2 4.14Å; R529-F577 HydrophobicContact CB-CE1 3.79Å; R529-F577 HydrophobicContact CB-CE2 4.17Å; R529-F577 HydrophobicContact CB-CG 3.94Å; R529-F577 HydrophobicContact CB-CZ 4Å; R529-F577 HydrophobicContact CG-CB 4.13Å; R529-F577 HydrophobicContact CG-CD1 4.06Å; R529-F577 HydrophobicContact CG-CD2 4.35Å; R529-F577 HydrophobicContact CG-CG 3.94Å; K573-F577 HydrophobicContact CG-CD2 3.77Å; K573-F577 HydrophobicContact CG-CE2 3.96Å; K573-F577 VanDerWaalsContact O-CD2 3.32Å; K573-F577 WeakPolarHBondContact O-CD2 3.38Å; K573-F577 PolarHBondContact O-N 3.17Å; F577-Q579 PolarHBondContact O-N 3.43Å; F577-W580 WeakPolarHBondContact O-CB 3.33Å; F577-W580 PolarHBondContact O-N 3.4Å; F577-Y601 HydrophobicContact CB-CD2 4.4Å; F577-Y601 HydrophobicContact CB-CE2 4.14Å; F577-Y601 HydrophobicContact CD1-CD2 4.45Å; F577-Y601 WeakPolarHBondContact O-CD2 3.44Å; F577-Y601 WeakPolarHBondContact O-CE2 3.43Å; F577-Y604 WeakPolarHBondContact CE1-O 3.44Å; F577-Y604 WeakPolarHBondContact CZ-O 3.5Å; F577-L606 HydrophobicContact CE2-CB 3.91Å; F577-L606 HydrophobicContact CZ-CB 4.39Å
578	N	93.7	Very high	93.5	Very high	79 Å²	79	33.5 Å²	33.5	42%	0.422	16%	0.161	S	C	.	.	H	α-helix	trans	-64.1	-20.8	178.2	-73.3	-16.9	0	0	0	113.3	D574 E575 W580 K581 M582	D574-N578 VanDerWaalsContact O-CB 3.26Å; D574-N578 WeakPolarHBondContact O-CB 3.2Å; D574-N578 PolarHBondContact O-N 3.13Å; D574-N578 PolarHBondContact O-ND2 3.38Å; D574-N578 VanDerWaalsContact O-ND2 3.16Å; E575-N578 PolarHBondContact O-N 2.97Å; N578-W580 PolarHBondContact O-N 2.97Å; N578-K581 PolarHBondContact O-N 3.31Å; N578-M582 PolarHBondContact O-N 2.85Å
579	Q	93.6	Very high	93.6	Very high	14 Å²	14	36.8 Å²	36.8	7%	0.065	19%	0.189	C	C	.	.	H	α-helix	trans	-63.4	-30.9	171.5	-62.6	-36.8	-74.9	0	0	112.5	P434 W435 E575 A576 F577 M582 W583	P434-Q579 HydrophobicContact CB-CB 3.75Å; P434-Q579 HydrophobicContact CB-CG 4.28Å; P434-Q579 PolarHBondContact O-OE1 2.96Å; W435-Q579 HydrophobicContact CD2-CB 4.16Å; W435-Q579 HydrophobicContact CD2-CG 4.36Å; W435-Q579 HydrophobicContact CG-CB 4.47Å; W435-Q579 HydrophobicContact CG-CG 4.16Å; W435-Q579 HydrophobicContact CZ2-CB 3.8Å; E575-Q579 WeakPolarHBondContact O-CG 3.3Å; E575-Q579 PolarHBondContact O-N 3.39Å; E575-Q579 PolarHBondContact O-NE2 3.37Å; A576-Q579 WeakPolarHBondContact O-CB 3.3Å; A576-Q579 PolarHBondContact O-N 3.3Å; F577-Q579 PolarHBondContact O-N 3.43Å; Q579-M582 PolarHBondContact O-N 3.49Å; Q579-W583 PolarHBondContact O-N 2.97Å
580	W	95.6	Very high	93.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.9	-39.4	173.4	-69.3	117.6	0	0	0	111.9	F415 W435 L462 F503 F577 N578 M582 W583 E584 F597 I600 Y601	F415-W580 AromaticContact CE2-CH2 3.7Å; F415-W580 HydrophobicContact CE2-CH2 3.7Å; F415-W580 HydrophobicContact CE2-CZ3 4.34Å; F415-W580 AromaticContact CZ-CH2 3.57Å; F415-W580 HydrophobicContact CZ-CH2 3.57Å; F415-W580 HydrophobicContact CZ-CZ2 4.15Å; F415-W580 HydrophobicContact CZ-CZ3 4.44Å; W435-W580 AromaticContact CH2-CD2 3.69Å; W435-W580 HydrophobicContact CH2-CD2 3.69Å; W435-W580 AromaticContact CH2-CE2 3.48Å; W435-W580 VanDerWaalsContact CH2-CE2 3.48Å; W435-W580 AromaticContact CH2-CE3 3.82Å; W435-W580 HydrophobicContact CH2-CE3 3.82Å; W435-W580 HydrophobicContact CH2-CG 4.44Å; W435-W580 AromaticContact CH2-CH2 3.63Å; W435-W580 HydrophobicContact CH2-CH2 3.63Å; W435-W580 AromaticContact CH2-CZ2 3.46Å; W435-W580 HydrophobicContact CH2-CZ2 3.46Å; W435-W580 VanDerWaalsContact CH2-CZ2 3.46Å; W435-W580 AromaticContact CH2-CZ3 3.81Å; W435-W580 HydrophobicContact CH2-CZ3 3.81Å; W435-W580 AromaticContact CZ2-CD2 3.81Å; W435-W580 HydrophobicContact CZ2-CD2 3.81Å; W435-W580 AromaticContact CZ2-CE2 3.49Å; W435-W580 VanDerWaalsContact CZ2-CE2 3.49Å; W435-W580 HydrophobicContact CZ2-CE3 4.39Å; W435-W580 HydrophobicContact CZ2-CG 4.14Å; W435-W580 HydrophobicContact CZ2-CH2 4.46Å; W435-W580 AromaticContact CZ2-CZ2 3.85Å; W435-W580 HydrophobicContact CZ2-CZ2 3.85Å; W435-W580 AromaticContact CZ2-NE1 3.61Å; W435-W580 HydrophobicContact CZ3-CH2 4.43Å; W435-W580 HydrophobicContact CZ3-CZ2 4.5Å; L462-W580 HydrophobicContact CD1-CH2 3.79Å; L462-W580 HydrophobicContact CD1-CZ2 3.86Å; F503-W580 HydrophobicContact CB-CZ2 4.22Å; F503-W580 AromaticContact CD1-NE1 3.56Å; F503-W580 AromaticContact CD2-CE2 3.89Å; F503-W580 AromaticContact CD2-CZ2 3.8Å; F503-W580 HydrophobicContact CD2-CZ2 3.8Å; F503-W580 AromaticContact CD2-NE1 3.41Å; F503-W580 AromaticContact CE1-NE1 3.51Å; F503-W580 HydrophobicContact CE2-CZ2 4.4Å; F503-W580 AromaticContact CE2-NE1 3.35Å; F503-W580 VanDerWaalsContact CE2-NE1 3.35Å; F503-W580 HydrophobicContact CG-CZ2 4.07Å; F503-W580 AromaticContact CG-NE1 3.51Å; F503-W580 AromaticContact CZ-CD1 3.92Å; F503-W580 AromaticContact CZ-NE1 3.4Å; F577-W580 WeakPolarHBondContact O-CB 3.33Å; F577-W580 PolarHBondContact O-N 3.4Å; N578-W580 PolarHBondContact O-N 2.97Å; W580-M582 PolarHBondContact O-N 3.47Å; W580-W583 HydrophobicContact CE3-CE3 4.13Å; W580-W583 AromaticContact CZ3-CE3 3.84Å; W580-W583 HydrophobicContact CZ3-CE3 3.84Å; W580-W583 HydrophobicContact CZ3-CZ3 4Å; W580-W583 WeakPolarHBondContact O-CB 3.44Å; W580-W583 PolarHBondContact O-N 2.98Å; W580-W583 VanDerWaalsContact O-N 3.1Å; W580-E584 WeakPolarHBondContact O-CB 3.15Å; W580-E584 PolarHBondContact O-N 3.41Å; W580-F597 AromaticContact CE3-CD1 3.77Å; W580-F597 HydrophobicContact CE3-CD1 3.77Å; W580-F597 HydrophobicContact CE3-CE1 4.1Å; W580-F597 HydrophobicContact CZ3-CD1 4.01Å; W580-F597 AromaticContact CZ3-CE1 3.95Å; W580-F597 HydrophobicContact CZ3-CE1 3.95Å; W580-I600 HydrophobicContact CD2-CG2 3.76Å; W580-I600 VanDerWaalsContact CE2-CG2 3.47Å; W580-I600 HydrophobicContact CE3-CG2 4.18Å; W580-I600 HydrophobicContact CG-CG2 4.27Å; W580-I600 HydrophobicContact CH2-CD1 4.36Å; W580-I600 HydrophobicContact CH2-CG2 4.07Å; W580-I600 HydrophobicContact CZ2-CG2 3.66Å; W580-I600 HydrophobicContact CZ3-CD1 4.28Å; W580-I600 HydrophobicContact CZ3-CG2 4.32Å; W580-Y601 HydrophobicContact CB-CD2 4.13Å
581	K	92.4	Very high	93.5	Very high	52 Å²	52	45.8 Å²	45.8	23%	0.226	23%	0.226	C	C	.	.	H	α-helix	trans	-63.8	-40.8	177.3	-74.7	-71.4	170.1	-154.7	0	112.5	N578 W583 E584 D585 Y601	N578-K581 PolarHBondContact O-N 3.31Å; K581-W583 PolarHBondContact O-N 3.27Å; K581-E584 WeakPolarHBondContact CD-OE2 3.12Å; K581-E584 WeakPolarHBondContact CE-OE2 3.46Å; K581-E584 IonicContact NZ-OE1 3.17Å; K581-E584 PolarHBondContact NZ-OE1 3.42Å; K581-E584 IonicContact NZ-OE2 3.24Å; K581-E584 PolarHBondContact NZ-OE2 2.94Å; K581-E584 WeakPolarHBondContact O-CB 3.25Å; K581-E584 PolarHBondContact O-N 3.26Å; K581-D585 PolarHBondContact O-N 3.42Å; K581-Y601 HydrophobicContact CD-CD2 4.4Å; K581-Y601 HydrophobicContact CD-CE1 4.44Å; K581-Y601 HydrophobicContact CD-CE2 4.28Å; K581-Y601 HydrophobicContact CG-CD2 3.82Å; K581-Y601 HydrophobicContact CG-CE1 4.43Å; K581-Y601 HydrophobicContact CG-CE2 3.47Å; K581-Y601 VanDerWaalsContact CG-CE2 3.47Å; K581-Y601 HydrophobicContact CG-CG 4.41Å
582	M	89.9	Confident	93.6	Very high	22 Å²	22	47.1 Å²	47.1	11%	0.108	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-34.6	173.7	177.9	-152.8	64.5	0	0	112.2	L389 W401 P434 N578 Q579 W580	L389-M582 HydrophobicContact CB-SD 4.28Å; L389-M582 HydrophobicContact CD1-CE 3.71Å; L389-M582 HydrophobicContact CD1-SD 3.65Å; W401-M582 HydrophobicContact CH2-CE 3.71Å; W401-M582 HydrophobicContact CZ3-CE 4.03Å; P434-M582 HydrophobicContact CB-CE 3.55Å; P434-M582 HydrophobicContact CG-CE 3.73Å; N578-M582 PolarHBondContact O-N 2.85Å; Q579-M582 PolarHBondContact O-N 3.49Å; W580-M582 PolarHBondContact O-N 3.47Å
583	W	92.6	Very high	93.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-73.1	-45.1	175.4	-158.6	-21.6	0	0	0	111.2	W401 I414 F415 F433 P434 W435 Q579 W580 K581 D585 L586 Y587 F597	W401-W583 HydrophobicContact CB-CZ2 3.63Å; W401-W583 HydrophobicContact CD2-CD2 4.41Å; W401-W583 AromaticContact CD2-CE2 3.96Å; W401-W583 HydrophobicContact CD2-CZ2 4.24Å; W401-W583 AromaticContact CE3-CD1 3.54Å; W401-W583 AromaticContact CE3-CD2 3.97Å; W401-W583 HydrophobicContact CE3-CD2 3.97Å; W401-W583 AromaticContact CE3-CE2 3.8Å; W401-W583 AromaticContact CE3-CG 3.84Å; W401-W583 HydrophobicContact CE3-CG 3.84Å; W401-W583 AromaticContact CE3-NE1 3.56Å; W401-W583 AromaticContact CG-CE2 3.94Å; W401-W583 AromaticContact CG-CZ2 3.85Å; W401-W583 HydrophobicContact CG-CZ2 3.85Å; W401-W583 HydrophobicContact CZ3-CD2 4.45Å; W401-W583 HydrophobicContact CZ3-CG 4.13Å; I414-W583 HydrophobicContact CB-CH2 4.47Å; I414-W583 HydrophobicContact CG2-CH2 3.75Å; I414-W583 HydrophobicContact CG2-CZ2 3.9Å; F415-W583 HydrophobicContact CE2-CH2 4.16Å; F415-W583 AromaticContact CE2-CZ3 4Å; F415-W583 HydrophobicContact CE2-CZ3 4Å; F415-W583 HydrophobicContact CZ-CZ3 4.39Å; F433-W583 HydrophobicContact CE2-CZ3 4.49Å; P434-W583 HydrophobicContact CG-CD2 4.32Å; P434-W583 HydrophobicContact CG-CE3 3.68Å; P434-W583 HydrophobicContact CG-CZ3 4.11Å; W435-W583 HydrophobicContact CH2-CE3 4.37Å; W435-W583 HydrophobicContact CH2-CZ3 4.42Å; W435-W583 HydrophobicContact CZ3-CE3 4.3Å; W435-W583 HydrophobicContact CZ3-CZ3 4.05Å; Q579-W583 PolarHBondContact O-N 2.97Å; W580-W583 HydrophobicContact CE3-CE3 4.13Å; W580-W583 AromaticContact CZ3-CE3 3.84Å; W580-W583 HydrophobicContact CZ3-CE3 3.84Å; W580-W583 HydrophobicContact CZ3-CZ3 4Å; W580-W583 WeakPolarHBondContact O-CB 3.44Å; W580-W583 PolarHBondContact O-N 2.98Å; W580-W583 VanDerWaalsContact O-N 3.1Å; K581-W583 PolarHBondContact O-N 3.27Å; W583-D585 VanDerWaalsContact C-N 3.28Å; W583-D585 PolarHBondContact O-N 2.94Å; W583-L586 VanDerWaalsContact O-CB 3.31Å; W583-L586 WeakPolarHBondContact O-CB 3.35Å; W583-L586 PolarHBondContact O-N 2.96Å; W583-L586 VanDerWaalsContact O-N 3.07Å; W583-Y587 AromaticContact CD1-CE2 3.69Å; W583-Y587 AromaticContact NE1-CE2 3.95Å; W583-Y587 PolarHBondContact NE1-OH 3Å; W583-Y587 WeakPolarHBondContact O-CD2 3.49Å; W583-Y587 WeakPolarHBondContact O-CE2 3.41Å; W583-F597 HydrophobicContact CB-CD1 4.42Å; W583-F597 HydrophobicContact CB-CE1 4.26Å; W583-F597 AromaticContact CD1-CE1 3.87Å; W583-F597 AromaticContact CD1-CZ 3.53Å; W583-F597 AromaticContact CD2-CE1 3.62Å; W583-F597 HydrophobicContact CD2-CE1 3.62Å; W583-F597 AromaticContact CD2-CZ 3.92Å; W583-F597 HydrophobicContact CD2-CZ 3.92Å; W583-F597 AromaticContact CE2-CE1 3.8Å; W583-F597 AromaticContact CE2-CZ 3.67Å; W583-F597 HydrophobicContact CE3-CE1 4.11Å; W583-F597 HydrophobicContact CG-CD1 4.3Å; W583-F597 AromaticContact CG-CE1 3.68Å; W583-F597 HydrophobicContact CG-CE1 3.68Å; W583-F597 AromaticContact CG-CZ 3.84Å; W583-F597 HydrophobicContact CG-CZ 3.84Å; W583-F597 HydrophobicContact CZ2-CE1 4.44Å; W583-F597 HydrophobicContact CZ2-CZ 4.34Å; W583-F597 AromaticContact NE1-CE1 3.89Å; W583-F597 AromaticContact NE1-CZ 3.36Å
584	E	94.1	Very high	93.6	Very high	10 Å²	10	48.4 Å²	48.4	5%	0.047	25%	0.245	C	C	.	.	H	α-helix	trans	-52.3	-43.2	173.7	-176.2	179.3	145.6	0	0	112.2	W580 K581 L586 Y587 H594 F597	W580-E584 WeakPolarHBondContact O-CB 3.15Å; W580-E584 PolarHBondContact O-N 3.41Å; K581-E584 WeakPolarHBondContact CD-OE2 3.12Å; K581-E584 WeakPolarHBondContact CE-OE2 3.46Å; K581-E584 IonicContact NZ-OE1 3.17Å; K581-E584 PolarHBondContact NZ-OE1 3.42Å; K581-E584 IonicContact NZ-OE2 3.24Å; K581-E584 PolarHBondContact NZ-OE2 2.94Å; K581-E584 WeakPolarHBondContact O-CB 3.25Å; K581-E584 PolarHBondContact O-N 3.26Å; E584-L586 PolarHBondContact O-N 3.41Å; E584-Y587 PolarHBondContact O-N 3.19Å; E584-H594 VanDerWaalsContact CG-CD2 3.43Å; E584-H594 WeakPolarHBondContact CG-CD2 3.48Å; E584-H594 WeakPolarHBondContact CG-NE2 3.16Å; E584-H594 IonicContact OE1-CE1 3.47Å; E584-H594 PolarHBondContact OE1-CE1 3.48Å; E584-H594 IonicContact OE1-ND1 3.7Å; E584-H594 IonicContact OE1-NE2 3.31Å; E584-H594 PolarHBondContact OE1-NE2 3.27Å; E584-F597 HydrophobicContact CB-CB 3.75Å; E584-F597 HydrophobicContact CB-CG 4.42Å; E584-F597 HydrophobicContact CG-CB 4.07Å
585	D	92.5	Very high	93.6	Very high	104 Å²	104	47.7 Å²	47.7	56%	0.556	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-14.5	179.2	-71.8	-20.9	0	0	0	114.3	K581 W583 Y587	K581-D585 PolarHBondContact O-N 3.42Å; W583-D585 VanDerWaalsContact C-N 3.28Å; W583-D585 PolarHBondContact O-N 2.94Å; D585-Y587 VanDerWaalsContact C-N 3.25Å
586	L	93.1	Very high	93.7	Very high	18 Å²	18	48.2 Å²	48.2	9%	0.094	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.3	174.5	-62.4	-179.9	0	0	0	113	R394 L397 L398 W401 W583 E584	R394-L586 HydrophobicContact CG-CD2 4.14Å; R394-L586 VanDerWaalsContact CZ-O 3.28Å; R394-L586 PolarHBondContact NE-O 3.32Å; R394-L586 VanDerWaalsContact NE-O 3.09Å; R394-L586 PolarHBondContact NH2-O 2.89Å; L397-L586 HydrophobicContact CB-CD1 3.83Å; L397-L586 HydrophobicContact CB-CD2 4.31Å; L397-L586 HydrophobicContact CD1-CD1 4.33Å; L397-L586 HydrophobicContact CD1-CD2 3.82Å; L398-L586 HydrophobicContact CD2-CB 4.15Å; W401-L586 HydrophobicContact CD2-CD1 4.45Å; W401-L586 HydrophobicContact CE3-CD1 3.31Å; W401-L586 HydrophobicContact CZ3-CD1 3.53Å; W583-L586 VanDerWaalsContact O-CB 3.31Å; W583-L586 WeakPolarHBondContact O-CB 3.35Å; W583-L586 PolarHBondContact O-N 2.96Å; W583-L586 VanDerWaalsContact O-N 3.07Å; E584-L586 PolarHBondContact O-N 3.41Å
587	Y	95	Very high	93.6	Very high	16 Å²	16	48.2 Å²	48.2	6%	0.063	25%	0.252	C	S	.	.	S	Bend	trans	-111.3	161.4	-176.2	-52.8	-84.7	0	0	0	111	L398 G402 L405 W583 E584 D585 E593 F597	L398-Y587 HydrophobicContact CD2-CD1 4.21Å; L398-Y587 HydrophobicContact CD2-CE1 3.69Å; G402-Y587 WeakPolarHBondContact O-CE1 3.43Å; G402-Y587 PolarHBondContact O-OH 2.73Å; L405-Y587 VanDerWaalsContact CD1-OH 3.26Å; L405-Y587 WeakPolarHBondContact CD1-OH 3.21Å; W583-Y587 AromaticContact CD1-CE2 3.69Å; W583-Y587 AromaticContact NE1-CE2 3.95Å; W583-Y587 PolarHBondContact NE1-OH 3Å; W583-Y587 WeakPolarHBondContact O-CD2 3.49Å; W583-Y587 WeakPolarHBondContact O-CE2 3.41Å; E584-Y587 PolarHBondContact O-N 3.19Å; D585-Y587 VanDerWaalsContact C-N 3.25Å; Y587-E593 HydrophobicContact CD1-CB 3.41Å; Y587-E593 VanDerWaalsContact CD1-CB 3.41Å; Y587-E593 HydrophobicContact CD1-CG 3.57Å; Y587-E593 HydrophobicContact CD2-CB 4.13Å; Y587-E593 HydrophobicContact CE1-CB 3.93Å; Y587-E593 HydrophobicContact CE1-CG 3.81Å; Y587-E593 HydrophobicContact CG-CB 3.53Å; Y587-E593 HydrophobicContact CG-CG 4.23Å; Y587-F597 AromaticContact CD2-CD2 3.88Å; Y587-F597 HydrophobicContact CD2-CD2 3.88Å; Y587-F597 AromaticContact CD2-CE2 3.66Å; Y587-F597 HydrophobicContact CD2-CE2 3.66Å; Y587-F597 AromaticContact CE2-CD2 3.84Å; Y587-F597 HydrophobicContact CE2-CD2 3.84Å; Y587-F597 AromaticContact CE2-CE2 3.15Å; Y587-F597 HydrophobicContact CE2-CE2 3.15Å; Y587-F597 AromaticContact CE2-CZ 3.88Å; Y587-F597 HydrophobicContact CE2-CZ 3.88Å; Y587-F597 AromaticContact CZ-CE2 3.84Å
588	E	94	Very high	93.5	Very high	151 Å²	151	49.8 Å²	49.8	71%	0.706	26%	0.263	S	S	*	.			trans	-74.4	140.9	179.2	-63	-173.7	170.8	0	0	110.7	R590 S591 H594	E588-R590 PolarHBondContact O-N 2.56Å; E588-S591 VanDerWaalsContact O-CB 3.26Å; E588-S591 WeakPolarHBondContact O-CB 3.42Å; E588-S591 PolarHBondContact O-N 3.25Å; E588-S591 PolarHBondContact O-OG 2.96Å; E588-H594 WeakPolarHBondContact O-CB 3.49Å
589	A	91.2	Very high	93.5	Very high	76 Å²	76	50.1 Å²	50.1	63%	0.628	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-14.8	-172	0	0	0	0	0	116.8	H594	A589-H594 VanDerWaalsContact CA-CD2 3.48Å; A589-H594 WeakPolarHBondContact CA-CD2 3.41Å
590	R	90.9	Very high	93.6	Very high	250 Å²	250	49.5 Å²	49.5	94%	0.943	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	8	-179.8	-62.2	-177.2	-179.4	177.4	-0.1	113.3	E588	E588-R590 PolarHBondContact O-N 2.56Å
591	S	94.1	Very high	93.6	Very high	19 Å²	19	50.9 Å²	50.9	13%	0.133	27%	0.265	C	S	.	.	S	Bend	trans	-78.7	150.4	179.8	67.1	0	0	0	0	111	E588 E593 H594 A595	E588-S591 VanDerWaalsContact O-CB 3.26Å; E588-S591 WeakPolarHBondContact O-CB 3.42Å; E588-S591 PolarHBondContact O-N 3.25Å; E588-S591 PolarHBondContact O-OG 2.96Å; S591-E593 WeakPolarHBondContact CB-OE2 3.21Å; S591-E593 PolarHBondContact O-N 2.84Å; S591-E593 PolarHBondContact OG-OE2 3.19Å; S591-H594 PolarHBondContact O-N 3.31Å; S591-H594 WeakPolarHBondContact OG-CB 3.49Å; S591-H594 PolarHBondContact OG-N 2.99Å; S591-A595 PolarHBondContact O-N 3.36Å; S591-A595 VanDerWaalsContact O-N 3.15Å
592	P	93.2	Very high	93.7	Very high	80 Å²	80	52.3 Å²	52.3	52%	0.519	28%	0.275	S	S	.	.	H	α-helix	trans	-53.4	-36.5	172.9	-26	34.7	0	0	0	113.2	A595 L596	P592-A595 PolarHBondContact O-N 3.07Å; P592-L596 PolarHBondContact O-N 3.42Å
593	E	94.4	Very high	94	Very high	15 Å²	15	56.6 Å²	56.6	7%	0.07	29%	0.294	C	S	.	.	H	α-helix	trans	-59.3	-51.8	177	-63.5	75.9	-175	0	0	111	N404 L405 H406 Y587 S591 A595 L596 F597	N404-E593 WeakPolarHBondContact CA-OE1 3.46Å; L405-E593 HydrophobicContact CB-CG 4.14Å; L405-E593 WeakPolarHBondContact O-CA 3.45Å; L405-E593 WeakPolarHBondContact O-CG 3.28Å; H406-E593 IonicContact CD2-OE1 3.89Å; H406-E593 PolarHBondContact CD2-OE1 3.41Å; H406-E593 VanDerWaalsContact CD2-OE1 3.31Å; H406-E593 IonicContact NE2-OE1 2.73Å; H406-E593 PolarHBondContact NE2-OE1 2.68Å; H406-E593 VanDerWaalsContact NE2-OE1 3.17Å; Y587-E593 HydrophobicContact CD1-CB 3.41Å; Y587-E593 VanDerWaalsContact CD1-CB 3.41Å; Y587-E593 HydrophobicContact CD1-CG 3.57Å; Y587-E593 HydrophobicContact CD2-CB 4.13Å; Y587-E593 HydrophobicContact CE1-CB 3.93Å; Y587-E593 HydrophobicContact CE1-CG 3.81Å; Y587-E593 HydrophobicContact CG-CB 3.53Å; Y587-E593 HydrophobicContact CG-CG 4.23Å; S591-E593 WeakPolarHBondContact CB-OE2 3.21Å; S591-E593 PolarHBondContact O-N 2.84Å; S591-E593 PolarHBondContact OG-OE2 3.19Å; E593-A595 VanDerWaalsContact C-N 3.29Å; E593-A595 PolarHBondContact O-N 3.14Å; E593-L596 WeakPolarHBondContact O-CB 3.39Å; E593-L596 PolarHBondContact O-N 3.13Å; E593-L596 VanDerWaalsContact O-N 3.13Å; E593-F597 WeakPolarHBondContact O-CD2 3.41Å; E593-F597 PolarHBondContact O-N 3.41Å; E593-F597 VanDerWaalsContact O-N 3.11Å
594	H	94.5	Very high	94.2	Very high	34 Å²	34	57.4 Å²	57.4	16%	0.157	30%	0.298	C	S	.	.	H	α-helix	trans	-61.3	-39.5	179.4	-176.2	-69.9	0	0	0	111.6	E584 E588 A589 S591 L596 F597 S598	E584-H594 VanDerWaalsContact CG-CD2 3.43Å; E584-H594 WeakPolarHBondContact CG-CD2 3.48Å; E584-H594 WeakPolarHBondContact CG-NE2 3.16Å; E584-H594 IonicContact OE1-CE1 3.47Å; E584-H594 PolarHBondContact OE1-CE1 3.48Å; E584-H594 IonicContact OE1-ND1 3.7Å; E584-H594 IonicContact OE1-NE2 3.31Å; E584-H594 PolarHBondContact OE1-NE2 3.27Å; E588-H594 WeakPolarHBondContact O-CB 3.49Å; A589-H594 VanDerWaalsContact CA-CD2 3.48Å; A589-H594 WeakPolarHBondContact CA-CD2 3.41Å; S591-H594 PolarHBondContact O-N 3.31Å; S591-H594 WeakPolarHBondContact OG-CB 3.49Å; S591-H594 PolarHBondContact OG-N 2.99Å; H594-L596 VanDerWaalsContact C-N 3.32Å; H594-L596 PolarHBondContact O-N 3.02Å; H594-F597 PolarHBondContact O-N 3.34Å; H594-S598 WeakPolarHBondContact O-CB 3.33Å; H594-S598 PolarHBondContact O-N 2.99Å
595	A	94.2	Very high	94.4	Very high	59 Å²	59	57.2 Å²	57.2	49%	0.488	30%	0.297	S	S	.	.	H	α-helix	trans	-63.1	-38.7	175.6	0	0	0	0	0	112.2	S591 P592 E593 S598 Q599	S591-A595 PolarHBondContact O-N 3.36Å; S591-A595 VanDerWaalsContact O-N 3.15Å; P592-A595 PolarHBondContact O-N 3.07Å; E593-A595 VanDerWaalsContact C-N 3.29Å; E593-A595 PolarHBondContact O-N 3.14Å; A595-S598 PolarHBondContact O-N 2.94Å; A595-Q599 WeakPolarHBondContact O-CB 3.49Å; A595-Q599 PolarHBondContact O-N 3.24Å
596	L	95	Very high	94.7	Very high	13 Å²	13	52.2 Å²	52.2	7%	0.068	27%	0.271	C	S	.	.	H	α-helix	trans	-64.4	-44.1	178	-172.5	63.7	0	0	0	112	T407 M408 I411 P592 E593 H594 Q599 I600	T407-L596 WeakPolarHBondContact O-CD2 3.49Å; M408-L596 HydrophobicContact CG-CD1 4.28Å; M408-L596 HydrophobicContact SD-CD1 3.82Å; I411-L596 HydrophobicContact CD1-CD1 4.49Å; I411-L596 HydrophobicContact CD1-CD2 3.34Å; I411-L596 HydrophobicContact CD1-CG 3.56Å; I411-L596 HydrophobicContact CG1-CD2 3.81Å; P592-L596 PolarHBondContact O-N 3.42Å; E593-L596 WeakPolarHBondContact O-CB 3.39Å; E593-L596 PolarHBondContact O-N 3.13Å; E593-L596 VanDerWaalsContact O-N 3.13Å; H594-L596 VanDerWaalsContact C-N 3.32Å; H594-L596 PolarHBondContact O-N 3.02Å; L596-Q599 WeakPolarHBondContact O-CB 3.37Å; L596-Q599 PolarHBondContact O-N 2.88Å; L596-I600 WeakPolarHBondContact O-CG1 3.17Å; L596-I600 PolarHBondContact O-N 3.12Å
597	F	95.3	Very high	95	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-67.7	-39.1	174.9	-70	-69.2	0	0	0	112.7	L405 I411 W580 W583 E584 Y587 E593 H594 Q599 I600 Y601	L405-F597 HydrophobicContact CD1-CE2 3.8Å; L405-F597 HydrophobicContact CD1-CZ 3.49Å; L405-F597 VanDerWaalsContact CD1-CZ 3.49Å; I411-F597 HydrophobicContact CD1-CE1 4.12Å; I411-F597 HydrophobicContact CD1-CZ 4.38Å; W580-F597 AromaticContact CE3-CD1 3.77Å; W580-F597 HydrophobicContact CE3-CD1 3.77Å; W580-F597 HydrophobicContact CE3-CE1 4.1Å; W580-F597 HydrophobicContact CZ3-CD1 4.01Å; W580-F597 AromaticContact CZ3-CE1 3.95Å; W580-F597 HydrophobicContact CZ3-CE1 3.95Å; W583-F597 HydrophobicContact CB-CD1 4.42Å; W583-F597 HydrophobicContact CB-CE1 4.26Å; W583-F597 AromaticContact CD1-CE1 3.87Å; W583-F597 AromaticContact CD1-CZ 3.53Å; W583-F597 AromaticContact CD2-CE1 3.62Å; W583-F597 HydrophobicContact CD2-CE1 3.62Å; W583-F597 AromaticContact CD2-CZ 3.92Å; W583-F597 HydrophobicContact CD2-CZ 3.92Å; W583-F597 AromaticContact CE2-CE1 3.8Å; W583-F597 AromaticContact CE2-CZ 3.67Å; W583-F597 HydrophobicContact CE3-CE1 4.11Å; W583-F597 HydrophobicContact CG-CD1 4.3Å; W583-F597 AromaticContact CG-CE1 3.68Å; W583-F597 HydrophobicContact CG-CE1 3.68Å; W583-F597 AromaticContact CG-CZ 3.84Å; W583-F597 HydrophobicContact CG-CZ 3.84Å; W583-F597 HydrophobicContact CZ2-CE1 4.44Å; W583-F597 HydrophobicContact CZ2-CZ 4.34Å; W583-F597 AromaticContact NE1-CE1 3.89Å; W583-F597 AromaticContact NE1-CZ 3.36Å; E584-F597 HydrophobicContact CB-CB 3.75Å; E584-F597 HydrophobicContact CB-CG 4.42Å; E584-F597 HydrophobicContact CG-CB 4.07Å; Y587-F597 AromaticContact CD2-CD2 3.88Å; Y587-F597 HydrophobicContact CD2-CD2 3.88Å; Y587-F597 AromaticContact CD2-CE2 3.66Å; Y587-F597 HydrophobicContact CD2-CE2 3.66Å; Y587-F597 AromaticContact CE2-CD2 3.84Å; Y587-F597 HydrophobicContact CE2-CD2 3.84Å; Y587-F597 AromaticContact CE2-CE2 3.15Å; Y587-F597 HydrophobicContact CE2-CE2 3.15Å; Y587-F597 AromaticContact CE2-CZ 3.88Å; Y587-F597 HydrophobicContact CE2-CZ 3.88Å; Y587-F597 AromaticContact CZ-CE2 3.84Å; E593-F597 WeakPolarHBondContact O-CD2 3.41Å; E593-F597 PolarHBondContact O-N 3.41Å; E593-F597 VanDerWaalsContact O-N 3.11Å; H594-F597 PolarHBondContact O-N 3.34Å; F597-Q599 VanDerWaalsContact C-N 3.27Å; F597-Q599 PolarHBondContact O-N 3.11Å; F597-I600 PolarHBondContact O-N 3.08Å; F597-Y601 VanDerWaalsContact O-CB 3.32Å; F597-Y601 WeakPolarHBondContact O-CB 3.26Å; F597-Y601 PolarHBondContact O-N 2.86Å
598	S	94.1	Very high	95.1	Very high	33 Å²	33	50.8 Å²	50.8	23%	0.231	27%	0.265	C	S	.	.	H	α-helix	trans	-61.1	-39.6	173.8	-168	0	0	0	0	111.1	H594 A595 Y601 D602	H594-S598 WeakPolarHBondContact O-CB 3.33Å; H594-S598 PolarHBondContact O-N 2.99Å; A595-S598 PolarHBondContact O-N 2.94Å; S598-Y601 PolarHBondContact O-N 3.31Å; S598-D602 WeakPolarHBondContact O-CB 3.4Å; S598-D602 PolarHBondContact O-N 2.87Å
599	Q	94.5	Very high	95.3	Very high	87 Å²	87	43.6 Å²	43.6	41%	0.407	23%	0.231	S	C	.	.	H	α-helix	trans	-61.8	-46	175.3	-174	-172.7	-16.3	0	0	111.5	A595 L596 F597 D602 Q603	A595-Q599 WeakPolarHBondContact O-CB 3.49Å; A595-Q599 PolarHBondContact O-N 3.24Å; L596-Q599 WeakPolarHBondContact O-CB 3.37Å; L596-Q599 PolarHBondContact O-N 2.88Å; F597-Q599 VanDerWaalsContact C-N 3.27Å; F597-Q599 PolarHBondContact O-N 3.11Å; Q599-D602 PolarHBondContact O-N 3.18Å; Q599-Q603 HydrophobicContact CG-CG 4.31Å; Q599-Q603 VanDerWaalsContact CG-OE1 3.27Å; Q599-Q603 VanDerWaalsContact O-CB 3.27Å; Q599-Q603 WeakPolarHBondContact O-CB 3.38Å; Q599-Q603 WeakPolarHBondContact O-CG 2.99Å; Q599-Q603 PolarHBondContact O-N 3.19Å
600	I	95.9	Very high	95.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.1	-48.5	176.4	-68.3	169.2	0	0	0	110.4	M408 I411 L462 W580 L596 F597 D602 Q603 Y604	M408-I600 HydrophobicContact CE-CD1 4.02Å; M408-I600 HydrophobicContact CE-CG1 4.47Å; M408-I600 HydrophobicContact SD-CD1 3.9Å; M408-I600 HydrophobicContact SD-CG1 4.06Å; I411-I600 HydrophobicContact CD1-CD1 3.31Å; I411-I600 HydrophobicContact CG2-CD1 4.41Å; L462-I600 HydrophobicContact CD1-CD1 4.4Å; W580-I600 HydrophobicContact CD2-CG2 3.76Å; W580-I600 VanDerWaalsContact CE2-CG2 3.47Å; W580-I600 HydrophobicContact CE3-CG2 4.18Å; W580-I600 HydrophobicContact CG-CG2 4.27Å; W580-I600 HydrophobicContact CH2-CD1 4.36Å; W580-I600 HydrophobicContact CH2-CG2 4.07Å; W580-I600 HydrophobicContact CZ2-CG2 3.66Å; W580-I600 HydrophobicContact CZ3-CD1 4.28Å; W580-I600 HydrophobicContact CZ3-CG2 4.32Å; L596-I600 WeakPolarHBondContact O-CG1 3.17Å; L596-I600 PolarHBondContact O-N 3.12Å; F597-I600 PolarHBondContact O-N 3.08Å; I600-D602 VanDerWaalsContact C-N 3.27Å; I600-D602 PolarHBondContact O-N 3.13Å; I600-Q603 PolarHBondContact O-N 3.41Å; I600-Y604 HydrophobicContact CB-CD2 4.17Å; I600-Y604 HydrophobicContact CB-CE2 4.42Å; I600-Y604 HydrophobicContact CB-CG 4.42Å; I600-Y604 HydrophobicContact CG1-CD2 4.12Å; I600-Y604 HydrophobicContact CG1-CE2 3.87Å; I600-Y604 HydrophobicContact CG2-CD1 4.16Å; I600-Y604 HydrophobicContact CG2-CD2 4.18Å; I600-Y604 HydrophobicContact CG2-CG 3.91Å; I600-Y604 VanDerWaalsContact O-CB 3.27Å; I600-Y604 WeakPolarHBondContact O-CB 3.5Å; I600-Y604 PolarHBondContact O-N 3.4Å
601	Y	95.6	Very high	95.7	Very high	30 Å²	30	28.2 Å²	28.2	12%	0.118	16%	0.157	C	C	.	.	H	α-helix	trans	-56.9	-38.2	-179.3	179.8	-98.8	0	0	0	113.3	R529 F577 W580 K581 F597 S598	R529-Y601 WeakPolarHBondContact CD-OH 3.37Å; F577-Y601 HydrophobicContact CB-CD2 4.4Å; F577-Y601 HydrophobicContact CB-CE2 4.14Å; F577-Y601 HydrophobicContact CD1-CD2 4.45Å; F577-Y601 WeakPolarHBondContact O-CD2 3.44Å; F577-Y601 WeakPolarHBondContact O-CE2 3.43Å; W580-Y601 HydrophobicContact CB-CD2 4.13Å; K581-Y601 HydrophobicContact CD-CD2 4.4Å; K581-Y601 HydrophobicContact CD-CE1 4.44Å; K581-Y601 HydrophobicContact CD-CE2 4.28Å; K581-Y601 HydrophobicContact CG-CD2 3.82Å; K581-Y601 HydrophobicContact CG-CE1 4.43Å; K581-Y601 HydrophobicContact CG-CE2 3.47Å; K581-Y601 VanDerWaalsContact CG-CE2 3.47Å; K581-Y601 HydrophobicContact CG-CG 4.41Å; F597-Y601 VanDerWaalsContact O-CB 3.32Å; F597-Y601 WeakPolarHBondContact O-CB 3.26Å; F597-Y601 PolarHBondContact O-N 2.86Å; S598-Y601 PolarHBondContact O-N 3.31Å
602	D	94.3	Very high	95.7	Very high	81 Å²	81	29 Å²	29	43%	0.433	16%	0.16	S	C	.	.	H	α-helix	trans	-91	-32	-176.9	-70.8	-40.4	0	0	0	114.1	R529 S598 Q599 I600	R529-D602 IonicContact CZ-OD1 3.93Å; R529-D602 IonicContact NE-OD1 2.77Å; R529-D602 IonicContact NH2-OD1 3.74Å; R529-D602 PolarHBondContact NH2-OD1 3.23Å; S598-D602 WeakPolarHBondContact O-CB 3.4Å; S598-D602 PolarHBondContact O-N 2.87Å; Q599-D602 PolarHBondContact O-N 3.18Å; I600-D602 VanDerWaalsContact C-N 3.27Å; I600-D602 PolarHBondContact O-N 3.13Å
603	Q	95.2	Very high	95.6	Very high	112 Å²	112	27.4 Å²	27.4	52%	0.523	15%	0.147	S	C	.	.	H	α-helix	trans	-108.4	-18.1	-169.1	-58.5	-178	-7.2	0	0	114.8	Q599 I600	Q599-Q603 HydrophobicContact CG-CG 4.31Å; Q599-Q603 VanDerWaalsContact CG-OE1 3.27Å; Q599-Q603 VanDerWaalsContact O-CB 3.27Å; Q599-Q603 WeakPolarHBondContact O-CB 3.38Å; Q599-Q603 WeakPolarHBondContact O-CG 2.99Å; Q599-Q603 PolarHBondContact O-N 3.19Å; I600-Q603 PolarHBondContact O-N 3.41Å
604	Y	97.6	Very high	95.1	Very high	18 Å²	18	29.5 Å²	29.5	7%	0.071	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	154.2	-178.4	-77.9	-131.4	0	0	0	110.8	M408 L462 F503 A504 F577 I600	M408-Y604 HydrophobicContact CE-CE1 4.34Å; M408-Y604 WeakPolarHBondContact CE-OH 3.49Å; M408-Y604 PolarHBondContact SD-OH 3.34Å; L462-Y604 HydrophobicContact CD1-CD1 3.98Å; L462-Y604 HydrophobicContact CD1-CE1 3.69Å; L462-Y604 HydrophobicContact CG-CE1 4.41Å; F503-Y604 HydrophobicContact CB-CD1 4.11Å; A504-Y604 CarbonylContact O-C 3.41Å; A504-Y604 VanDerWaalsContact O-CA 3.31Å; A504-Y604 WeakPolarHBondContact O-CA 3.46Å; A504-Y604 WeakPolarHBondContact O-CB 3.44Å; F577-Y604 WeakPolarHBondContact CE1-O 3.44Å; F577-Y604 WeakPolarHBondContact CZ-O 3.5Å; I600-Y604 HydrophobicContact CB-CD2 4.17Å; I600-Y604 HydrophobicContact CB-CE2 4.42Å; I600-Y604 HydrophobicContact CB-CG 4.42Å; I600-Y604 HydrophobicContact CG1-CD2 4.12Å; I600-Y604 HydrophobicContact CG1-CE2 3.87Å; I600-Y604 HydrophobicContact CG2-CD1 4.16Å; I600-Y604 HydrophobicContact CG2-CD2 4.18Å; I600-Y604 HydrophobicContact CG2-CG 3.91Å; I600-Y604 VanDerWaalsContact O-CB 3.27Å; I600-Y604 WeakPolarHBondContact O-CB 3.5Å; I600-Y604 PolarHBondContact O-N 3.4Å
605	S	98.4	Very high	94.6	Very high	5 Å²	5	33.6 Å²	33.6	4%	0.035	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	146.8	170	-54.9	0	0	0	0	110.2	F503 A504 L527	F503-S605 WeakPolarHBondContact CA-O 3.38Å; A504-S605 PolarHBondContact N-O 3.04Å; A504-S605 PolarHBondContact O-N 3.44Å; L527-S605 CarbonylContact O-C 3.51Å; L527-S605 WeakPolarHBondContact O-CA 3.12Å; L527-S605 WeakPolarHBondContact O-CB 3.3Å
606	L	98.6	Very high	94	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	130.9	166.8	-177.7	64.9	0	0	0	108.7	I464 E501 F503 V526 L527 F569 A576 F577	I464-L606 HydrophobicContact CD1-CD1 3.81Å; E501-L606 HydrophobicContact CG-CD1 4.34Å; F503-L606 HydrophobicContact CD1-CB 4.33Å; F503-L606 HydrophobicContact CD1-CD1 4.38Å; F503-L606 HydrophobicContact CD2-CD1 4.38Å; F503-L606 HydrophobicContact CE1-CB 4.03Å; F503-L606 HydrophobicContact CE1-CD1 4.05Å; F503-L606 HydrophobicContact CE2-CD1 4.06Å; F503-L606 HydrophobicContact CZ-CD1 3.88Å; V526-L606 WeakPolarHBondContact CA-O 3.35Å; L527-L606 PolarHBondContact N-O 3.05Å; L527-L606 PolarHBondContact O-N 3.27Å; F569-L606 HydrophobicContact CD2-CD2 4.43Å; F569-L606 HydrophobicContact CE2-CD2 3.65Å; F569-L606 HydrophobicContact CE2-CG 3.94Å; F569-L606 HydrophobicContact CZ-CD2 3.77Å; F569-L606 HydrophobicContact CZ-CG 3.66Å; A576-L606 HydrophobicContact CB-CD2 3.96Å; F577-L606 HydrophobicContact CE2-CB 3.91Å; F577-L606 HydrophobicContact CZ-CB 4.39Å
607	V	98.5	Very high	92.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132.2	-175.4	-178.8	0	0	0	0	109.4	E501 F502 V509 L512 V526 L609	E501-V607 VanDerWaalsContact CA-O 3.31Å; E501-V607 WeakPolarHBondContact CA-O 3.12Å; F502-V607 HydrophobicContact CD1-CB 4.48Å; F502-V607 HydrophobicContact CD2-CB 3.99Å; F502-V607 HydrophobicContact CD2-CG2 4.29Å; F502-V607 HydrophobicContact CE1-CB 4.16Å; F502-V607 HydrophobicContact CE1-CG1 3.85Å; F502-V607 HydrophobicContact CE2-CB 3.64Å; F502-V607 HydrophobicContact CE2-CG1 3.85Å; F502-V607 HydrophobicContact CE2-CG2 3.83Å; F502-V607 HydrophobicContact CG-CB 4.41Å; F502-V607 HydrophobicContact CZ-CB 3.73Å; F502-V607 HydrophobicContact CZ-CG1 3.42Å; F502-V607 VanDerWaalsContact CZ-CG1 3.42Å; F502-V607 HydrophobicContact CZ-CG2 4.3Å; F502-V607 PolarHBondContact N-O 3.45Å; F502-V607 PolarHBondContact O-N 3.47Å; V509-V607 HydrophobicContact CG2-CG2 4.14Å; L512-V607 HydrophobicContact CD2-CG1 4.05Å; V526-V607 HydrophobicContact CG1-CG2 4.04Å; V526-V607 HydrophobicContact CG2-CB 4.43Å; V526-V607 HydrophobicContact CG2-CG1 4.02Å; V526-V607 HydrophobicContact CG2-CG2 4.09Å; V607-L609 HydrophobicContact CG1-CD2 3.95Å; V607-L609 HydrophobicContact CG1-CG 3.97Å
608	S	98.1	Very high	91.5	Very high	4 Å²	4	41.3 Å²	41.3	3%	0.028	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	122.9	170.9	163.4	0	0	0	0	108.8	Y499 L500 Y524 H525 F569	Y499-S608 WeakPolarHBondContact CE2-OG 3.46Å; L500-S608 WeakPolarHBondContact O-CA 3.48Å; Y524-S608 CarbonylContact C-O 3.57Å; Y524-S608 VanDerWaalsContact CA-O 3.26Å; Y524-S608 WeakPolarHBondContact CA-O 3.4Å; H525-S608 PolarHBondContact N-O 2.81Å; H525-S608 PolarHBondContact O-N 2.83Å; F569-S608 VanDerWaalsContact CZ-CB 3.45Å
609	L	97.4	Very high	90.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.9	175.5	-57.8	-178	0	0	0	110.5	Y499 L500 F502 I516 V522 S523 V607 L620 L623 L624	Y499-L609 WeakPolarHBondContact CA-O 3.49Å; Y499-L609 VanDerWaalsContact CD2-O 3.28Å; Y499-L609 WeakPolarHBondContact CD2-O 3.41Å; L500-L609 PolarHBondContact N-O 3.35Å; L500-L609 PolarHBondContact O-N 3.4Å; F502-L609 HydrophobicContact CE1-CD1 3.87Å; F502-L609 HydrophobicContact CE1-CG 4.12Å; F502-L609 HydrophobicContact CZ-CD1 4.05Å; F502-L609 HydrophobicContact CZ-CG 4.45Å; I516-L609 HydrophobicContact CD1-CD2 4.16Å; V522-L609 HydrophobicContact CG1-CD2 4.36Å; S523-L609 WeakPolarHBondContact O-CA 3.31Å; V607-L609 HydrophobicContact CG1-CD2 3.95Å; V607-L609 HydrophobicContact CG1-CG 3.97Å; L609-L620 HydrophobicContact CB-CD1 4.41Å; L609-L620 HydrophobicContact CB-CD2 4.27Å; L609-L623 HydrophobicContact CD1-CD2 4.26Å; L609-L624 HydrophobicContact CD1-CD2 3.98Å
610	V	96.2	Very high	90.7	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	123.6	174.3	179.4	0	0	0	0	108.6	K497 A498 Y499 V522 S523 V548 T564	K497-V610 HydrophobicContact CB-CG1 3.92Å; K497-V610 HydrophobicContact CD-CG1 3.67Å; K497-V610 HydrophobicContact CG-CG1 4.41Å; A498-V610 WeakPolarHBondContact O-CA 3.47Å; Y499-V610 HydrophobicContact CD2-CG2 3.77Å; Y499-V610 HydrophobicContact CE2-CG2 4.31Å; V522-V610 CarbonylContact C-O 3.35Å; V522-V610 WeakPolarHBondContact CA-O 3.44Å; S523-V610 PolarHBondContact N-O 3.05Å; S523-V610 PolarHBondContact O-N 3.18Å; V548-V610 HydrophobicContact CG1-CG1 3.8Å; V548-V610 HydrophobicContact CG1-CG2 3.89Å; T564-V610 HydrophobicContact CG2-CG2 3.74Å
611	D	95	Very high	90.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	115.6	167.5	-170.3	-13.3	0	0	0	110	K497 A498 D613 P617 T618 L620	K497-D611 VanDerWaalsContact CB-O 3.28Å; K497-D611 WeakPolarHBondContact CB-O 2.96Å; K497-D611 WeakPolarHBondContact CG-O 3.39Å; A498-D611 HydrophobicContact CB-CB 4.05Å; A498-D611 PolarHBondContact O-N 3.09Å; D611-D613 VanDerWaalsContact C-N 3.31Å; D611-D613 PolarHBondContact OD1-N 2.97Å; D611-P617 WeakPolarHBondContact OD2-CA 3.41Å; D611-P617 WeakPolarHBondContact OD2-CB 3.31Å; D611-T618 PolarHBondContact OD2-N 3.23Å; D611-T618 VanDerWaalsContact OD2-O 3.08Å; D611-L620 HydrophobicContact CB-CD1 4.29Å; D611-L620 HydrophobicContact CB-CD2 3.9Å; D611-L620 HydrophobicContact CB-CG 3.95Å
612	N	94	Very high	90.4	Very high	37 Å²	37	41.2 Å²	41.2	20%	0.198	21%	0.213	C	C	.	.	S	Bend	trans	-78.3	-13.3	-178.1	-64.7	-69.3	0	0	0	113.8	K497 M521 S523 N546 Y614	K497-N612 PolarHBondContact NZ-OD1 3.27Å; M521-N612 HydrophobicContact CE-CB 4.08Å; M521-N612 VanDerWaalsContact O-CB 3.28Å; M521-N612 WeakPolarHBondContact O-CB 3.25Å; M521-N612 PolarHBondContact O-N 3.43Å; M521-N612 PolarHBondContact O-ND2 3.32Å; S523-N612 PolarHBondContact OG-ND2 3.38Å; N546-N612 PolarHBondContact ND2-OD1 2.83Å; N546-N612 PolarHBondContact OD1-OD1 3.13Å; N612-Y614 PolarHBondContact O-N 2.67Å
613	D	91.2	Very high	90.4	Very high	45 Å²	45	37.3 Å²	37.3	24%	0.241	19%	0.192	C	C	.	.			trans	-90.2	79.3	172.4	-165.8	-15.7	0	0	0	111.1	M521 D611 K615 N616 P617	M521-D613 HydrophobicContact CE-CB 4.15Å; D611-D613 VanDerWaalsContact C-N 3.31Å; D611-D613 PolarHBondContact OD1-N 2.97Å; D613-K615 PolarHBondContact O-N 2.93Å; D613-K615 PolarHBondContact OD1-N 3.43Å; D613-K615 VanDerWaalsContact OD1-N 3.1Å; D613-N616 VanDerWaalsContact CG-O 3.3Å; D613-N616 CarbonylContact O-C 3.55Å; D613-N616 PolarHBondContact OD1-N 2.98Å; D613-P617 WeakPolarHBondContact O-CA 3.5Å
614	Y	83.4	Confident	90.4	Very high	59 Å²	59	32 Å²	32	23%	0.231	17%	0.167	C	C	.	.	S	Bend	trans	-68	-14.2	177.7	70.8	-83.9	0	0	0	114.3	N471 F495 Q496 W550 N612	N471-Y614 HydrophobicContact CB-CD2 4.3Å; F495-Y614 HydrophobicContact CD1-CE2 4.03Å; Q496-Y614 VanDerWaalsContact O-CB 3.31Å; Q496-Y614 WeakPolarHBondContact O-CB 3.35Å; W550-Y614 AromaticContact CH2-CD1 3.63Å; W550-Y614 HydrophobicContact CH2-CD1 3.63Å; W550-Y614 HydrophobicContact CH2-CD2 4.02Å; W550-Y614 AromaticContact CH2-CE1 3.84Å; W550-Y614 HydrophobicContact CH2-CE1 3.84Å; W550-Y614 HydrophobicContact CH2-CE2 4.21Å; W550-Y614 AromaticContact CH2-CG 3.71Å; W550-Y614 HydrophobicContact CH2-CG 3.71Å; W550-Y614 HydrophobicContact CZ2-CD1 4.15Å; W550-Y614 HydrophobicContact CZ2-CD2 4.19Å; W550-Y614 AromaticContact CZ2-CE1 3.89Å; W550-Y614 HydrophobicContact CZ2-CE1 3.89Å; W550-Y614 AromaticContact CZ2-CE2 3.94Å; W550-Y614 HydrophobicContact CZ2-CE2 3.94Å; W550-Y614 HydrophobicContact CZ2-CG 4.28Å; W550-Y614 AromaticContact CZ2-CZ 3.78Å; N612-Y614 PolarHBondContact O-N 2.67Å
615	K	83.5	Confident	90.3	Very high	121 Å²	121	34.5 Å²	34.5	53%	0.526	18%	0.178	S	C	.	.	S	Bend	trans	-85	-44.1	180	-70.6	-175	-179.9	177.5	0	110.9	D613	D613-K615 PolarHBondContact O-N 2.93Å; D613-K615 PolarHBondContact OD1-N 3.43Å; D613-K615 VanDerWaalsContact OD1-N 3.1Å
616	N	81.9	Confident	90.1	Very high	119 Å²	119	36.7 Å²	36.7	64%	0.636	19%	0.188	S	C	*	.	S	Bend	trans	-132.3	74.6	177.6	-51.2	-69.9	0	0	0	108.2	D613 T618	D613-N616 VanDerWaalsContact CG-O 3.3Å; D613-N616 CarbonylContact O-C 3.55Å; D613-N616 PolarHBondContact OD1-N 2.98Å; N616-T618 PolarHBondContact O-N 3.44Å
617	P	72.7	Confident	89.9	Confident	59 Å²	59	36.7 Å²	36.7	38%	0.383	19%	0.188	S	C	.	.			trans	-55.7	129.2	-174.9	22.6	-33.4	0	0	0	110.5	A469 D611 D613 S619	A469-P617 HydrophobicContact CB-CB 4.19Å; A469-P617 HydrophobicContact CB-CG 3.93Å; D611-P617 WeakPolarHBondContact OD2-CA 3.41Å; D611-P617 WeakPolarHBondContact OD2-CB 3.31Å; D613-P617 WeakPolarHBondContact O-CA 3.5Å; P617-S619 PolarHBondContact O-N 3.45Å
618	T	66.4	Low	89.5	Confident	55 Å²	55	39.5 Å²	39.5	34%	0.337	20%	0.203	S	C	.	.			trans	-71.7	87.4	165.9	-37.4	0	0	0	0	104.9	Y519 D611 N616 L620	Y519-T618 HydrophobicContact CD1-CG2 3.5Å; Y519-T618 VanDerWaalsContact CD1-CG2 3.5Å; Y519-T618 HydrophobicContact CE1-CG2 3.92Å; D611-T618 PolarHBondContact OD2-N 3.23Å; D611-T618 VanDerWaalsContact OD2-O 3.08Å; N616-T618 PolarHBondContact O-N 3.44Å; T618-L620 PolarHBondContact O-N 3.36Å
619	S	79	Confident	89.1	Confident	29 Å²	29	43.6 Å²	43.6	20%	0.203	23%	0.231	C	C	.	.			trans	-26.8	104.5	-172.4	174.1	0	0	0	0	112.1	P617 F621 D622 L623	P617-S619 PolarHBondContact O-N 3.45Å; S619-F621 PolarHBondContact O-N 3.26Å; S619-D622 VanDerWaalsContact CB-OD2 3.23Å; S619-D622 WeakPolarHBondContact CB-OD2 3.32Å; S619-D622 WeakPolarHBondContact O-CB 3.47Å; S619-D622 PolarHBondContact O-N 3.11Å; S619-D622 VanDerWaalsContact OG-CG 3.24Å; S619-D622 PolarHBondContact OG-N 2.8Å; S619-D622 VanDerWaalsContact OG-N 3.16Å; S619-D622 PolarHBondContact OG-OD1 3.45Å; S619-D622 VanDerWaalsContact OG-OD1 3.09Å; S619-L623 PolarHBondContact O-N 3.34Å
620	L	91.8	Very high	88.3	Confident	6 Å²	6	46 Å²	46	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	-54.2	-28.7	175.6	-70.2	179.1	0	0	0	110.4	A498 L500 V522 L609 D611 T618 L623 L624	A498-L620 HydrophobicContact CB-CD1 3.94Å; A498-L620 HydrophobicContact CB-CG 4.46Å; L500-L620 HydrophobicContact CD1-CB 3.88Å; L500-L620 HydrophobicContact CD1-CD1 4.16Å; L500-L620 HydrophobicContact CG-CD1 3.98Å; V522-L620 HydrophobicContact CG1-CD2 3.95Å; V522-L620 HydrophobicContact CG2-CD2 3.77Å; L609-L620 HydrophobicContact CB-CD1 4.41Å; L609-L620 HydrophobicContact CB-CD2 4.27Å; D611-L620 HydrophobicContact CB-CD1 4.29Å; D611-L620 HydrophobicContact CB-CD2 3.9Å; D611-L620 HydrophobicContact CB-CG 3.95Å; T618-L620 PolarHBondContact O-N 3.36Å; L620-L623 WeakPolarHBondContact O-CB 3.42Å; L620-L624 WeakPolarHBondContact O-CG 3.12Å; L620-L624 PolarHBondContact O-N 3.38Å
621	F	92	Very high	86.8	Confident	32 Å²	32	50 Å²	50	14%	0.14	27%	0.268	C	S	.	.	H	α-helix	trans	-69.7	-32.5	176.5	-52	-66.8	0	0	0	112.9	D452 L453 L500 S619 L624 K625	D452-F621 HydrophobicContact CB-CB 3.81Å; D452-F621 HydrophobicContact CB-CD1 3.46Å; D452-F621 VanDerWaalsContact CB-CD1 3.46Å; D452-F621 HydrophobicContact CB-CD2 3.57Å; D452-F621 HydrophobicContact CB-CE1 3.8Å; D452-F621 HydrophobicContact CB-CE2 3.92Å; D452-F621 HydrophobicContact CB-CG 3.32Å; D452-F621 HydrophobicContact CB-CZ 4.02Å; D452-F621 WeakPolarHBondContact OD2-CD2 3.44Å; L453-F621 HydrophobicContact CD2-CE1 3.84Å; L453-F621 HydrophobicContact CD2-CZ 3.93Å; L453-F621 HydrophobicContact CG-CE1 4.22Å; L453-F621 HydrophobicContact CG-CZ 4.11Å; L500-F621 HydrophobicContact CD1-CD1 4.24Å; L500-F621 HydrophobicContact CD1-CE1 3.9Å; L500-F621 HydrophobicContact CD2-CE1 4.17Å; L500-F621 HydrophobicContact CD2-CZ 4.38Å; S619-F621 PolarHBondContact O-N 3.26Å; F621-L624 PolarHBondContact O-N 3.12Å; F621-K625 WeakPolarHBondContact O-CB 3.26Å; F621-K625 WeakPolarHBondContact O-CD 3.32Å; F621-K625 WeakPolarHBondContact O-CG 3.04Å; F621-K625 PolarHBondContact O-N 2.91Å
622	D	92.6	Very high	84.9	Confident	81 Å²	81	52.9 Å²	52.9	43%	0.433	29%	0.286	S	S	.	.	H	α-helix	trans	-69.1	-42.5	175.3	-64.6	-5.8	0	0	0	110.5	S619 L624 K625 E626	S619-D622 VanDerWaalsContact CB-OD2 3.23Å; S619-D622 WeakPolarHBondContact CB-OD2 3.32Å; S619-D622 WeakPolarHBondContact O-CB 3.47Å; S619-D622 PolarHBondContact O-N 3.11Å; S619-D622 VanDerWaalsContact OG-CG 3.24Å; S619-D622 PolarHBondContact OG-N 2.8Å; S619-D622 VanDerWaalsContact OG-N 3.16Å; S619-D622 PolarHBondContact OG-OD1 3.45Å; S619-D622 VanDerWaalsContact OG-OD1 3.09Å; D622-L624 VanDerWaalsContact C-N 3.31Å; D622-L624 PolarHBondContact O-N 3.43Å; D622-K625 PolarHBondContact O-N 2.87Å; D622-E626 WeakPolarHBondContact O-CB 3.28Å; D622-E626 PolarHBondContact O-N 2.69Å
623	L	94.5	Very high	82.8	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-54.5	-47.5	170.1	165.2	64.3	0	0	0	111.3	L512 I515 I516 Y519 V522 L609 S619 L620 E626 A627	L512-L623 HydrophobicContact CD1-CD1 3.95Å; L512-L623 HydrophobicContact CD1-CD2 4.13Å; L512-L623 HydrophobicContact CD1-CG 3.89Å; I515-L623 HydrophobicContact CB-CD1 4.33Å; I515-L623 HydrophobicContact CG2-CD1 3.75Å; I516-L623 HydrophobicContact CG1-CD1 3.89Å; I516-L623 HydrophobicContact CG1-CD2 3.9Å; I516-L623 HydrophobicContact CG1-CG 4.49Å; Y519-L623 HydrophobicContact CD1-CB 3.99Å; Y519-L623 HydrophobicContact CD2-CB 4.2Å; Y519-L623 HydrophobicContact CD2-CD1 3.55Å; Y519-L623 HydrophobicContact CD2-CG 4.38Å; Y519-L623 HydrophobicContact CE1-CB 3.87Å; Y519-L623 HydrophobicContact CE2-CB 4.09Å; Y519-L623 HydrophobicContact CE2-CD1 3.76Å; Y519-L623 HydrophobicContact CG-CB 4.18Å; Y519-L623 HydrophobicContact CG-CD1 4.11Å; V522-L623 HydrophobicContact CG1-CD2 4.06Å; V522-L623 HydrophobicContact CG2-CD2 4.36Å; L609-L623 HydrophobicContact CD1-CD2 4.26Å; S619-L623 PolarHBondContact O-N 3.34Å; L620-L623 WeakPolarHBondContact O-CB 3.42Å; L623-E626 PolarHBondContact O-N 3.04Å; L623-A627 WeakPolarHBondContact O-CB 3.46Å; L623-A627 PolarHBondContact O-N 3.11Å
624	L	95.6	Very high	80.5	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-67.2	-41.8	-179.5	-66.8	170.4	0	0	0	112.1	W455 I461 L500 F502 F508 L512 L609 L620 F621 D622 A627 I628	W455-L624 HydrophobicContact CZ3-CB 4.09Å; I461-L624 HydrophobicContact CD1-CB 3.93Å; I461-L624 HydrophobicContact CD1-CD1 4.1Å; I461-L624 HydrophobicContact CD1-CD2 4.09Å; I461-L624 HydrophobicContact CD1-CG 4.25Å; L500-L624 HydrophobicContact CD1-CD1 3.56Å; F502-L624 HydrophobicContact CE1-CD2 4.24Å; F502-L624 HydrophobicContact CZ-CD2 3.77Å; F508-L624 HydrophobicContact CE1-CD2 4.05Å; F508-L624 HydrophobicContact CZ-CD2 3.71Å; L512-L624 HydrophobicContact CD1-CD2 4.2Å; L609-L624 HydrophobicContact CD1-CD2 3.98Å; L620-L624 WeakPolarHBondContact O-CG 3.12Å; L620-L624 PolarHBondContact O-N 3.38Å; F621-L624 PolarHBondContact O-N 3.12Å; D622-L624 VanDerWaalsContact C-N 3.31Å; D622-L624 PolarHBondContact O-N 3.43Å; L624-A627 PolarHBondContact O-N 3.45Å; L624-I628 WeakPolarHBondContact O-CG1 3.35Å; L624-I628 PolarHBondContact O-N 3.42Å
625	K	94.6	Very high	78.6	Confident	71 Å²	71	63.3 Å²	63.3	31%	0.309	34%	0.337	S	S	.	.	H	α-helix	trans	-61.2	-44.2	175.4	-73.5	164.8	-170.5	167.7	0	111.8	D452 W455 F621 D622 I628 S629	D452-K625 WeakPolarHBondContact OD1-CE 3.26Å; D452-K625 IonicContact OD1-NZ 2.63Å; D452-K625 PolarHBondContact OD1-NZ 3.06Å; W455-K625 HydrophobicContact CD2-CG 4.13Å; W455-K625 HydrophobicContact CE3-CG 4.03Å; W455-K625 VanDerWaalsContact CH2-CA 3.46Å; W455-K625 HydrophobicContact CH2-CB 4.05Å; W455-K625 HydrophobicContact CH2-CG 3.5Å; W455-K625 VanDerWaalsContact CH2-CG 3.5Å; W455-K625 HydrophobicContact CZ2-CB 4.24Å; W455-K625 HydrophobicContact CZ2-CG 3.58Å; W455-K625 HydrophobicContact CZ3-CG 3.72Å; F621-K625 WeakPolarHBondContact O-CB 3.26Å; F621-K625 WeakPolarHBondContact O-CD 3.32Å; F621-K625 WeakPolarHBondContact O-CG 3.04Å; F621-K625 PolarHBondContact O-N 2.91Å; D622-K625 PolarHBondContact O-N 2.87Å; K625-I628 PolarHBondContact O-N 2.87Å; K625-S629 PolarHBondContact O-N 3.28Å; K625-S629 VanDerWaalsContact O-N 3.08Å; K625-S629 PolarHBondContact O-OG 3.47Å
626	E	94.6	Very high	76.5	Confident	50 Å²	50	62.4 Å²	62.4	23%	0.234	34%	0.341	C	S	.	.	H	α-helix	trans	-63.5	-45.6	176.5	-170.3	177.6	171.4	0	0	111.1	I515 K518 Y519 D622 L623 I628 S629 E630	I515-E626 HydrophobicContact CD1-CG 4.24Å; I515-E626 HydrophobicContact CG1-CG 4.42Å; I515-E626 HydrophobicContact CG2-CB 4.13Å; I515-E626 HydrophobicContact CG2-CG 3.85Å; K518-E626 WeakPolarHBondContact CD-OE1 3.17Å; K518-E626 IonicContact NZ-OE1 3.82Å; K518-E626 PolarHBondContact NZ-OE1 3.17Å; Y519-E626 WeakPolarHBondContact CE2-OE2 3.48Å; Y519-E626 PolarHBondContact OH-OE2 3.13Å; D622-E626 WeakPolarHBondContact O-CB 3.28Å; D622-E626 PolarHBondContact O-N 2.69Å; L623-E626 PolarHBondContact O-N 3.04Å; E626-I628 VanDerWaalsContact C-N 3.34Å; E626-I628 PolarHBondContact O-N 3.41Å; E626-S629 WeakPolarHBondContact CA-OG 3.27Å; E626-S629 PolarHBondContact O-N 3.26Å; E626-S629 VanDerWaalsContact O-N 3.11Å; E626-S629 PolarHBondContact O-OG 2.97Å; E626-E630 PolarHBondContact O-N 3.02Å
627	A	94	Very high	74.6	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.008	35%	0.345	C	S	.	.	H	α-helix	trans	-61.4	-36.1	177.2	0	0	0	0	0	113.6	F508 S511 L512 L623 L624	F508-A627 HydrophobicContact CE2-CB 3.76Å; F508-A627 HydrophobicContact CZ-CB 4.08Å; S511-A627 WeakPolarHBondContact CB-O 3.44Å; L512-A627 HydrophobicContact CB-CB 4.21Å; L512-A627 HydrophobicContact CD1-CB 4.1Å; L623-A627 WeakPolarHBondContact O-CB 3.46Å; L623-A627 PolarHBondContact O-N 3.11Å; L624-A627 PolarHBondContact O-N 3.45Å
628	I	91.6	Very high	73.1	Confident	59 Å²	59	65.4 Å²	65.4	30%	0.303	35%	0.351	S	S	.	.	H	α-helix	trans	-68.9	-38.4	173.7	-70.5	-161.5	0	0	0	111.3	W455 N459 I461 F508 L624 K625 E626 E630	W455-I628 HydrophobicContact CH2-CB 4.23Å; W455-I628 HydrophobicContact CH2-CD1 3.46Å; W455-I628 VanDerWaalsContact CH2-CD1 3.46Å; W455-I628 HydrophobicContact CH2-CG1 3.92Å; W455-I628 HydrophobicContact CZ2-CB 4.45Å; W455-I628 HydrophobicContact CZ2-CD1 3.91Å; W455-I628 HydrophobicContact CZ2-CG1 4.49Å; W455-I628 HydrophobicContact CZ3-CD1 4.26Å; N459-I628 HydrophobicContact CB-CD1 3.51Å; N459-I628 WeakPolarHBondContact O-CD1 3.39Å; I461-I628 HydrophobicContact CD1-CD1 4.06Å; I461-I628 HydrophobicContact CG1-CD1 4.4Å; F508-I628 HydrophobicContact CD2-CG1 3.73Å; F508-I628 HydrophobicContact CE2-CB 4.34Å; F508-I628 HydrophobicContact CE2-CD1 4.18Å; F508-I628 HydrophobicContact CE2-CG1 3.26Å; F508-I628 HydrophobicContact CZ-CG1 4.21Å; L624-I628 WeakPolarHBondContact O-CG1 3.35Å; L624-I628 PolarHBondContact O-N 3.42Å; K625-I628 PolarHBondContact O-N 2.87Å; E626-I628 VanDerWaalsContact C-N 3.34Å; E626-I628 PolarHBondContact O-N 3.41Å; I628-E630 VanDerWaalsContact C-N 3.28Å; I628-E630 PolarHBondContact O-N 2.67Å
629	S	88.9	Confident	71.6	Confident	89 Å²	89	67.6 Å²	67.6	62%	0.622	36%	0.359	S	S	*	.	H	α-helix	trans	-73.8	-18.4	-180	71.6	0	0	0	0	114	K625 E626 P631	K625-S629 PolarHBondContact O-N 3.28Å; K625-S629 VanDerWaalsContact O-N 3.08Å; K625-S629 PolarHBondContact O-OG 3.47Å; E626-S629 WeakPolarHBondContact CA-OG 3.27Å; E626-S629 PolarHBondContact O-N 3.26Å; E626-S629 VanDerWaalsContact O-N 3.11Å; E626-S629 PolarHBondContact O-OG 2.97Å; S629-P631 WeakPolarHBondContact O-CD 3.09Å
630	E	79.8	Confident	69.7	Low	51 Å²	51	70.3 Å²	70.3	24%	0.238	37%	0.371	C	S	.	.	S	Bend	trans	-69.4	121.7	-179	-172	70.8	-167.3	0	0	110.1	I515 E626 I628 V632	I515-E630 HydrophobicContact CD1-CB 4.43Å; I515-E630 HydrophobicContact CD1-CG 4.21Å; I515-E630 HydrophobicContact CG1-CB 4.37Å; I515-E630 HydrophobicContact CG1-CG 4.44Å; E626-E630 PolarHBondContact O-N 3.02Å; I628-E630 VanDerWaalsContact C-N 3.28Å; I628-E630 PolarHBondContact O-N 2.67Å; E630-V632 PolarHBondContact O-N 2.89Å
631	P	66	Low	67.6	Low	85 Å²	85	76 Å²	76	55%	0.552	40%	0.4	S	S	*	.			trans	-62.3	128.9	176.2	23	-29.9	0	0	0	109.5	S629 K633	S629-P631 WeakPolarHBondContact O-CD 3.09Å; P631-K633 VanDerWaalsContact C-N 3.31Å; P631-K633 PolarHBondContact O-N 3.07Å
632	V	55.5	Low	65.2	Low	62 Å²	62	81.4 Å²	81.4	38%	0.376	43%	0.431	S	S	.	.			trans	-61.6	94.8	175.1	-178.3	0	0	0	0	108.6	A507 E630 F634	A507-V632 HydrophobicContact CB-CG2 4.39Å; E630-V632 PolarHBondContact O-N 2.89Å; V632-F634 VanDerWaalsContact C-N 3.29Å; V632-F634 HydrophobicContact CG1-CD2 3.95Å; V632-F634 HydrophobicContact CG1-CE2 3.75Å; V632-F634 HydrophobicContact CG1-CG 4.44Å; V632-F634 HydrophobicContact CG1-CZ 4.08Å; V632-F634 PolarHBondContact O-N 3.31Å
633	K	49.8	Very low	62.7	Low	144 Å²	144	86 Å²	86	63%	0.626	45%	0.447	S	S	*	.			trans	-74.6	88.5	170.6	-70	178	-173.3	162.5	0	106.7	P631 S635	P631-K633 VanDerWaalsContact C-N 3.31Å; P631-K633 PolarHBondContact O-N 3.07Å; K633-S635 VanDerWaalsContact C-N 3.31Å; K633-S635 PolarHBondContact O-N 2.92Å
634	F	42.5	Very low	60	Low	149 Å²	149	97.1 Å²	97.1	65%	0.654	50%	0.496	S	S	*	.			trans	-56.9	104.6	160	-75.3	-78.7	0	0	0	106.8	V632 V636 L639	V632-F634 VanDerWaalsContact C-N 3.29Å; V632-F634 HydrophobicContact CG1-CD2 3.95Å; V632-F634 HydrophobicContact CG1-CE2 3.75Å; V632-F634 HydrophobicContact CG1-CG 4.44Å; V632-F634 HydrophobicContact CG1-CZ 4.08Å; V632-F634 PolarHBondContact O-N 3.31Å; F634-V636 PolarHBondContact O-N 2.9Å; F634-L639 HydrophobicContact CB-CD1 4.44Å
635	S	42.3	Very low	58.2	Low	67 Å²	67	102 Å²	102	47%	0.469	52%	0.521	S	S	.	.			trans	-57.4	117.2	165.6	177.1	0	0	0	0	106.2	K633 Y637 A638	K633-S635 VanDerWaalsContact C-N 3.31Å; K633-S635 PolarHBondContact O-N 2.92Å; S635-Y637 PolarHBondContact O-N 3.37Å; S635-A638 PolarHBondContact O-N 3.23Å
636	V	40.1	Very low	56.3	Low	101 Å²	101	103.6 Å²	103.6	61%	0.612	53%	0.532	S	S	*	.	H	α-helix	trans	-52.8	-21.6	178.6	179.6	0	0	0	0	111.3	F634 A638 L639 L640	F634-V636 PolarHBondContact O-N 2.9Å; V636-A638 VanDerWaalsContact C-N 3.34Å; V636-A638 PolarHBondContact O-N 3.18Å; V636-L639 PolarHBondContact O-N 3.33Å; V636-L640 HydrophobicContact CG1-CD1 4.18Å; V636-L640 PolarHBondContact O-N 3.2Å
637	Y	42.6	Very low	54.1	Low	181 Å²	181	106.6 Å²	106.6	71%	0.71	55%	0.548	S	S	*	.	H	α-helix	trans	-62.2	-32.2	171.9	-81.6	-83.5	0	0	0	114.6	S635 L640 I641	S635-Y637 PolarHBondContact O-N 3.37Å; Y637-L640 PolarHBondContact O-N 2.71Å; Y637-I641 PolarHBondContact O-N 3.31Å
638	A	41.4	Very low	51.8	Low	61 Å²	61	112.8 Å²	112.8	50%	0.504	58%	0.58	S	S	.	*	H	α-helix	trans	-76	-29.7	178.7	0	0	0	0	0	112.5	S635 V636	S635-A638 PolarHBondContact O-N 3.23Å; V636-A638 VanDerWaalsContact C-N 3.34Å; V636-A638 PolarHBondContact O-N 3.18Å
639	L	34.8	Very low	49.3	Very low	100 Å²	100	116.1 Å²	116.1	52%	0.524	60%	0.598	S	S	.	*	H	α-helix	trans	-73.8	-28.6	173.9	-94.8	149.7	0	0	0	112.3	F634 V636	F634-L639 HydrophobicContact CB-CD1 4.44Å; V636-L639 PolarHBondContact O-N 3.33Å
640	L	38.9	Very low	46.7	Very low	87 Å²	87	117.9 Å²	117.9	46%	0.455	60%	0.596	S	S	.	*	H	α-helix	trans	-76.3	-29.8	178.3	-77.1	163.4	0	0	0	113.2	V636 Y637 N642 F643 F644	V636-L640 HydrophobicContact CG1-CD1 4.18Å; V636-L640 PolarHBondContact O-N 3.2Å; Y637-L640 PolarHBondContact O-N 2.71Å; L640-N642 VanDerWaalsContact C-N 3.32Å; L640-N642 PolarHBondContact O-N 2.97Å; L640-F643 PolarHBondContact O-N 2.78Å; L640-F644 WeakPolarHBondContact O-CD2 3.26Å
641	I	47.7	Very low	44.3	Very low	125 Å²	125	122.7 Å²	122.7	64%	0.641	62%	0.621	S	S	*	*	H	α-helix	trans	-73.8	-22.3	179.6	-66.2	171.9	0	0	0	112.4	Y637	Y637-I641 PolarHBondContact O-N 3.31Å
642	N	41.4	Very low	42.6	Very low	146 Å²	146	125.6 Å²	125.6	78%	0.781	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	1.2	173.7	-80.1	-24	0	0	0	113.9	L640	L640-N642 VanDerWaalsContact C-N 3.32Å; L640-N642 PolarHBondContact O-N 2.97Å
643	F	40.9	Very low	41.6	Very low	177 Å²	177	130.9 Å²	130.9	78%	0.776	65%	0.648	S	S	*	*			trans	-112.4	0.9	176.3	-99	-78.7	0	0	0	114.2	L640	L640-F643 PolarHBondContact O-N 2.78Å
644	F	36.6	Very low	40.8	Very low	233 Å²	233	129.7 Å²	129.7	100%	1.022	65%	0.65	S	S	*	*			trans	-115.2	0	167.5	-79	-79	0	0	0	109.4	L640	L640-F644 WeakPolarHBondContact O-CD2 3.26Å

Retrieved 644 of 644 residues in 301.3 ms (Link to these results)

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