A0A3Q0KP43_SCHMA Loading...

Choline O-acetyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KP43, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 683 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	39.1	Very low	51.9	Low	172 Å²	172	110.6 Å²	110.6	85%	0.847	53%	0.529	S	S	*	.				0	60.3	0	-70.8	-172.4	-111.3	0	0	112.2
2	S	48.2	Very low	52.4	Low	83 Å²	83	105.8 Å²	105.8	58%	0.58	51%	0.507	S	S	*	.			trans	-126.6	-10	-165.5	55.7	0	0	0	0	117.8	K6	S2-K6 WeakPolarHBondContact O-CG 3.46Å
3	H	46.1	Very low	52.9	Low	143 Å²	143	101.7 Å²	101.7	66%	0.662	50%	0.497	S	S	*	.	S	Bend	trans	-96.5	-47.7	-174.9	-135.1	-69.3	0	0	0	115.2	I5 E7	H3-I5 PolarHBondContact O-N 3.47Å; H3-E7 PolarHBondContact O-N 3.22Å
4	P	50	Low	53.5	Low	103 Å²	103	100 Å²	100	67%	0.669	49%	0.491	S	S	*	.	H	α-helix	trans	-66.8	-41.8	-173.5	-21.2	32.6	0	0	0	113.2	E7 F8	P4-E7 PolarHBondContact O-N 3.25Å; P4-F8 VanDerWaalsContact O-CB 3.31Å; P4-F8 WeakPolarHBondContact O-CB 3.42Å; P4-F8 PolarHBondContact O-N 3.08Å
5	I	50.5	Low	54	Low	56 Å²	56	100.1 Å²	100.1	29%	0.287	49%	0.494	S	S	.	.	H	α-helix	trans	-68.1	-46.9	-177.3	-66.1	168.1	0	0	0	110.8	H3 E7 F8 V9 I146	H3-I5 PolarHBondContact O-N 3.47Å; I5-E7 VanDerWaalsContact C-N 3.3Å; I5-E7 PolarHBondContact O-N 3.17Å; I5-F8 WeakPolarHBondContact O-CB 3.27Å; I5-F8 PolarHBondContact O-N 3.29Å; I5-V9 HydrophobicContact CG2-CG2 4.17Å; I5-V9 WeakPolarHBondContact O-CB 3.44Å; I5-V9 WeakPolarHBondContact O-CG2 3.4Å; I5-V9 PolarHBondContact O-N 3.47Å; I5-I146 HydrophobicContact CG2-CG1 4.3Å
6	K	52.4	Low	54.7	Low	141 Å²	141	96 Å²	96	61%	0.613	47%	0.474	S	S	*	.	H	α-helix	trans	-59.5	-41.7	178.5	-75.2	-171.4	177.9	-175.7	0	112	S2 R10	S2-K6 WeakPolarHBondContact O-CG 3.46Å; K6-R10 WeakPolarHBondContact O-CB 3.38Å; K6-R10 PolarHBondContact O-N 2.77Å
7	E	55.9	Low	55.4	Low	68 Å²	68	95.5 Å²	95.5	32%	0.318	47%	0.473	S	S	.	.	H	α-helix	trans	-70	-39.2	178.9	-164.1	173.9	161.9	0	0	112.1	H3 P4 I5 R10 R11	H3-E7 PolarHBondContact O-N 3.22Å; P4-E7 PolarHBondContact O-N 3.25Å; I5-E7 VanDerWaalsContact C-N 3.3Å; I5-E7 PolarHBondContact O-N 3.17Å; E7-R10 PolarHBondContact O-N 2.98Å; E7-R11 WeakPolarHBondContact O-CG 3.1Å; E7-R11 PolarHBondContact O-N 3.33Å; E7-R11 IonicContact OE1-CZ 3.25Å; E7-R11 IonicContact OE1-NE 2.78Å; E7-R11 IonicContact OE1-NH2 2.79Å; E7-R11 PolarHBondContact OE1-NH2 3.41Å
8	F	56.5	Low	56.3	Low	128 Å²	128	98.2 Å²	98.2	56%	0.561	48%	0.484	S	S	*	.	H	α-helix	trans	-59	-47.2	172.8	174.5	-105.3	0	0	0	112	P4 I5 R11 L12	P4-F8 VanDerWaalsContact O-CB 3.31Å; P4-F8 WeakPolarHBondContact O-CB 3.42Å; P4-F8 PolarHBondContact O-N 3.08Å; I5-F8 WeakPolarHBondContact O-CB 3.27Å; I5-F8 PolarHBondContact O-N 3.29Å; F8-R11 PolarHBondContact O-N 3.03Å; F8-L12 HydrophobicContact CD1-CD1 3.97Å; F8-L12 HydrophobicContact CE1-CD1 3.4Å; F8-L12 VanDerWaalsContact CE1-CD1 3.4Å; F8-L12 HydrophobicContact CE1-CG 4.41Å; F8-L12 HydrophobicContact CE2-CD1 4.12Å; F8-L12 HydrophobicContact CE2-CG 4.42Å; F8-L12 HydrophobicContact CZ-CD1 3.5Å; F8-L12 HydrophobicContact CZ-CG 4.27Å; F8-L12 PolarHBondContact O-N 3.06Å
9	V	55.7	Low	57.4	Low	25 Å²	25	102.4 Å²	102.4	15%	0.152	49%	0.494	C	S	.	.	H	α-helix	trans	-62.4	-46.1	177.9	171.7	0	0	0	0	111	I5 R11 L12 S13 S151	I5-V9 HydrophobicContact CG2-CG2 4.17Å; I5-V9 WeakPolarHBondContact O-CB 3.44Å; I5-V9 WeakPolarHBondContact O-CG2 3.4Å; I5-V9 PolarHBondContact O-N 3.47Å; V9-R11 VanDerWaalsContact C-N 3.3Å; V9-R11 PolarHBondContact O-N 3.4Å; V9-L12 PolarHBondContact O-N 3.47Å; V9-S13 PolarHBondContact O-N 2.94Å; V9-S151 VanDerWaalsContact CG1-CB 3.44Å; V9-S151 WeakPolarHBondContact CG1-OG 3.25Å
10	R	59.1	Low	58.6	Low	152 Å²	152	98.9 Å²	98.9	57%	0.574	48%	0.475	S	S	*	.	H	α-helix	trans	-59.5	-42.2	176.9	-170.6	-174.4	70	158.1	0.3	111.4	K6 E7 S13 N14	K6-R10 WeakPolarHBondContact O-CB 3.38Å; K6-R10 PolarHBondContact O-N 2.77Å; E7-R10 PolarHBondContact O-N 2.98Å; R10-S13 PolarHBondContact O-N 2.76Å; R10-N14 VanDerWaalsContact O-CG 3.32Å; R10-N14 PolarHBondContact O-N 3.43Å
11	R	56.9	Low	59.5	Low	146 Å²	146	98.8 Å²	98.8	55%	0.551	48%	0.483	S	S	*	.	H	α-helix	trans	-62.4	-44.1	176.4	-74.5	177.8	-170.6	-165.6	4.2	111.7	E7 F8 V9 N14 L15	E7-R11 WeakPolarHBondContact O-CG 3.1Å; E7-R11 PolarHBondContact O-N 3.33Å; E7-R11 IonicContact OE1-CZ 3.25Å; E7-R11 IonicContact OE1-NE 2.78Å; E7-R11 IonicContact OE1-NH2 2.79Å; E7-R11 PolarHBondContact OE1-NH2 3.41Å; F8-R11 PolarHBondContact O-N 3.03Å; V9-R11 VanDerWaalsContact C-N 3.3Å; V9-R11 PolarHBondContact O-N 3.4Å; R11-N14 PolarHBondContact O-N 3.46Å; R11-L15 WeakPolarHBondContact O-CB 3.42Å; R11-L15 VanDerWaalsContact O-CG 3.29Å; R11-L15 WeakPolarHBondContact O-CG 3.4Å; R11-L15 PolarHBondContact O-N 2.62Å
12	L	57.9	Low	61.5	Low	52 Å²	52	96.3 Å²	96.3	27%	0.272	47%	0.469	S	S	.	.	H	α-helix	trans	-63.3	-43.1	176.5	-72.5	177.4	0	0	0	112.1	F8 V9 N14 L15 D16 P153	F8-L12 HydrophobicContact CD1-CD1 3.97Å; F8-L12 HydrophobicContact CE1-CD1 3.4Å; F8-L12 VanDerWaalsContact CE1-CD1 3.4Å; F8-L12 HydrophobicContact CE1-CG 4.41Å; F8-L12 HydrophobicContact CE2-CD1 4.12Å; F8-L12 HydrophobicContact CE2-CG 4.42Å; F8-L12 HydrophobicContact CZ-CD1 3.5Å; F8-L12 HydrophobicContact CZ-CG 4.27Å; F8-L12 PolarHBondContact O-N 3.06Å; V9-L12 PolarHBondContact O-N 3.47Å; L12-N14 PolarHBondContact O-N 3.4Å; L12-L15 PolarHBondContact O-N 3.1Å; L12-D16 WeakPolarHBondContact O-CB 3.46Å; L12-D16 PolarHBondContact O-N 3.28Å; L12-P153 HydrophobicContact CD1-CG 3.74Å
13	S	59.7	Low	63	Low	53 Å²	53	95.6 Å²	95.6	37%	0.371	45%	0.454	S	S	.	.	H	α-helix	trans	-62.6	-40.6	176.6	179.3	0	0	0	0	112.3	V9 R10 D16 I17	V9-S13 PolarHBondContact O-N 2.94Å; R10-S13 PolarHBondContact O-N 2.76Å; S13-D16 WeakPolarHBondContact O-CB 2.96Å; S13-D16 PolarHBondContact O-N 2.76Å; S13-I17 WeakPolarHBondContact O-CG1 3.32Å; S13-I17 PolarHBondContact O-N 3.26Å; S13-I17 VanDerWaalsContact O-N 3.12Å
14	N	61	Low	64.7	Low	78 Å²	78	92.4 Å²	92.4	42%	0.417	44%	0.442	S	S	.	.	H	α-helix	trans	-66.1	-46.2	176	-73	-5.6	0	0	0	111.9	R10 R11 L12 D16 I17 E18	R10-N14 VanDerWaalsContact O-CG 3.32Å; R10-N14 PolarHBondContact O-N 3.43Å; R11-N14 PolarHBondContact O-N 3.46Å; L12-N14 PolarHBondContact O-N 3.4Å; N14-D16 PolarHBondContact O-N 3.04Å; N14-I17 PolarHBondContact O-N 2.73Å; N14-E18 WeakPolarHBondContact O-CG 3.47Å; N14-E18 PolarHBondContact O-N 3.04Å
15	L	60.8	Low	66.2	Low	101 Å²	101	90.5 Å²	90.5	53%	0.529	43%	0.425	S	S	.	.	H	α-helix	trans	-58.7	-35.5	175.1	-74.1	166.1	0	0	0	111.7	R11 L12 R19	R11-L15 WeakPolarHBondContact O-CB 3.42Å; R11-L15 VanDerWaalsContact O-CG 3.29Å; R11-L15 WeakPolarHBondContact O-CG 3.4Å; R11-L15 PolarHBondContact O-N 2.62Å; L12-L15 PolarHBondContact O-N 3.1Å; L15-R19 WeakPolarHBondContact O-CB 3.48Å; L15-R19 PolarHBondContact O-N 3.26Å
16	D	66	Low	67.6	Low	35 Å²	35	92.6 Å²	92.6	19%	0.187	45%	0.445	C	S	.	.	H	α-helix	trans	-68	-39.9	177.5	-93.4	-8.2	0	0	0	112.9	L12 S13 N14 R19 Y20	L12-D16 WeakPolarHBondContact O-CB 3.46Å; L12-D16 PolarHBondContact O-N 3.28Å; S13-D16 WeakPolarHBondContact O-CB 2.96Å; S13-D16 PolarHBondContact O-N 2.76Å; N14-D16 PolarHBondContact O-N 3.04Å; D16-R19 PolarHBondContact O-N 2.89Å; D16-Y20 PolarHBondContact O-N 3.35Å
17	I	65.6	Low	69.2	Low	88 Å²	88	92.8 Å²	92.8	45%	0.451	45%	0.446	S	S	.	.	H	α-helix	trans	-68	-40.4	176.1	-67	167.4	0	0	0	110.2	S13 N14 R19 L25	S13-I17 WeakPolarHBondContact O-CG1 3.32Å; S13-I17 PolarHBondContact O-N 3.26Å; S13-I17 VanDerWaalsContact O-N 3.12Å; N14-I17 PolarHBondContact O-N 2.73Å; I17-R19 VanDerWaalsContact C-N 3.32Å; I17-R19 PolarHBondContact O-N 2.62Å; I17-L25 HydrophobicContact CG1-CD1 4.27Å
18	E	72.9	Confident	70.7	Confident	144 Å²	144	95.4 Å²	95.4	67%	0.673	47%	0.469	S	S	*	.	H	α-helix	trans	-64.8	-35	177.5	-72.7	173.9	-173.1	0	0	112.6	N14	N14-E18 WeakPolarHBondContact O-CG 3.47Å; N14-E18 PolarHBondContact O-N 3.04Å
19	R	77.1	Confident	72.5	Confident	178 Å²	178	91.2 Å²	91.2	67%	0.672	45%	0.452	S	S	*	.	H	α-helix	trans	-77.7	-28.2	-176	-167.6	173.4	-175.7	174.7	4.7	113.9	L15 D16 I17	L15-R19 WeakPolarHBondContact O-CB 3.48Å; L15-R19 PolarHBondContact O-N 3.26Å; D16-R19 PolarHBondContact O-N 2.89Å; I17-R19 VanDerWaalsContact C-N 3.32Å; I17-R19 PolarHBondContact O-N 2.62Å
20	Y	80.5	Confident	74.3	Confident	31 Å²	31	92.7 Å²	92.7	12%	0.122	46%	0.462	C	S	.	.			trans	-139.2	63.6	-175.1	-60.7	-67.3	0	0	0	111.4	D16 E22 W23 K162 G163	D16-Y20 PolarHBondContact O-N 3.35Å; Y20-E22 VanDerWaalsContact C-OE2 3.23Å; Y20-E22 WeakPolarHBondContact CA-OE2 3.48Å; Y20-E22 PolarHBondContact O-N 3.24Å; Y20-E22 VanDerWaalsContact O-N 3.13Å; Y20-W23 PolarHBondContact O-N 3.35Å; Y20-W23 VanDerWaalsContact O-N 3.08Å; Y20-K162 HydrophobicContact CE1-CG 4.19Å; Y20-G163 VanDerWaalsContact CD1-CA 3.42Å
21	P	77.7	Confident	76.1	Confident	98 Å²	98	92 Å²	92	64%	0.636	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.6	-172.5	27.6	-36.6	0	0	0	113.7	W23	P21-W23 VanDerWaalsContact C-N 3.26Å; P21-W23 PolarHBondContact O-N 3.03Å
22	E	80.8	Confident	78.1	Confident	119 Å²	119	85.4 Å²	85.4	56%	0.556	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-18.9	176.4	71.6	-77.9	-175.9	0	0	113.7	Y20	Y20-E22 VanDerWaalsContact C-OE2 3.23Å; Y20-E22 WeakPolarHBondContact CA-OE2 3.48Å; Y20-E22 PolarHBondContact O-N 3.24Å; Y20-E22 VanDerWaalsContact O-N 3.13Å
23	W	80.8	Confident	79.9	Confident	69 Å²	69	85 Å²	85	26%	0.261	44%	0.436	S	S	.	.	S	Bend	trans	-102.2	88.1	180	-65.5	103.2	0	0	0	111.6	Y20 P21 L25 K161 K162 Q164	Y20-W23 PolarHBondContact O-N 3.35Å; Y20-W23 VanDerWaalsContact O-N 3.08Å; P21-W23 VanDerWaalsContact C-N 3.26Å; P21-W23 PolarHBondContact O-N 3.03Å; W23-L25 PolarHBondContact O-N 3.18Å; W23-L25 VanDerWaalsContact O-N 3.13Å; W23-K161 HydrophobicContact CH2-CB 4.41Å; W23-K161 HydrophobicContact CH2-CD 4.37Å; W23-K161 HydrophobicContact CZ2-CB 3.99Å; W23-K162 PolarHBondContact NE1-O 3.37Å; W23-Q164 HydrophobicContact CD2-CB 4.21Å; W23-Q164 HydrophobicContact CD2-CG 4.48Å; W23-Q164 VanDerWaalsContact CE2-CA 3.45Å; W23-Q164 HydrophobicContact CE3-CB 4.39Å; W23-Q164 HydrophobicContact CE3-CG 4.17Å; W23-Q164 HydrophobicContact CH2-CB 3.78Å; W23-Q164 HydrophobicContact CH2-CG 3.73Å; W23-Q164 HydrophobicContact CZ2-CB 3.57Å; W23-Q164 HydrophobicContact CZ2-CG 4.08Å; W23-Q164 HydrophobicContact CZ3-CB 4.19Å; W23-Q164 HydrophobicContact CZ3-CG 3.78Å
24	D	80.6	Confident	81.7	Confident	76 Å²	76	83.8 Å²	83.8	41%	0.406	43%	0.426	S	S	.	.			trans	-65.9	105.1	173.6	179.7	2.7	0	0	0	111.5	S26 K27	D24-S26 PolarHBondContact O-N 3.36Å; D24-S26 VanDerWaalsContact OD1-CB 3.27Å; D24-S26 WeakPolarHBondContact OD1-CB 3.24Å; D24-S26 PolarHBondContact OD1-N 3.26Å; D24-S26 PolarHBondContact OD1-OG 3.44Å; D24-S26 PolarHBondContact OD2-OG 3.49Å; D24-S26 VanDerWaalsContact OD2-OG 3.14Å; D24-K27 HydrophobicContact CB-CD 4.19Å; D24-K27 HydrophobicContact CB-CG 4.31Å; D24-K27 PolarHBondContact O-N 3.01Å; D24-K27 VanDerWaalsContact O-N 3.13Å; D24-K27 VanDerWaalsContact OD2-CE 3.29Å; D24-K27 WeakPolarHBondContact OD2-CE 3.46Å
25	L	80.9	Confident	83.4	Confident	62 Å²	62	80.3 Å²	80.3	33%	0.325	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-11.3	-179.6	-64.6	179.3	0	0	0	113.8	I17 W23 K27 I154 P165	I17-L25 HydrophobicContact CG1-CD1 4.27Å; W23-L25 PolarHBondContact O-N 3.18Å; W23-L25 VanDerWaalsContact O-N 3.13Å; L25-K27 VanDerWaalsContact C-N 3.27Å; L25-I154 HydrophobicContact CD1-CD1 3.8Å; L25-I154 HydrophobicContact CD2-CD1 3.75Å; L25-I154 HydrophobicContact CG-CD1 4.39Å; L25-P165 HydrophobicContact CD2-CB 3.99Å; L25-P165 HydrophobicContact CD2-CG 4.04Å
26	S	80.3	Confident	85.1	Confident	100 Å²	100	78.8 Å²	78.8	70%	0.699	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-17.8	173.3	75.9	0	0	0	0	112.6	D24	D24-S26 PolarHBondContact O-N 3.36Å; D24-S26 VanDerWaalsContact OD1-CB 3.27Å; D24-S26 WeakPolarHBondContact OD1-CB 3.24Å; D24-S26 PolarHBondContact OD1-N 3.26Å; D24-S26 PolarHBondContact OD1-OG 3.44Å; D24-S26 PolarHBondContact OD2-OG 3.49Å; D24-S26 VanDerWaalsContact OD2-OG 3.14Å
27	K	86.1	Confident	86.6	Confident	145 Å²	145	77.3 Å²	77.3	63%	0.63	39%	0.392	S	S	*	.	S	Bend	trans	-85.4	142.5	177.4	-67.4	179.7	-176.4	171.9	0	110.9	D24 L25	D24-K27 HydrophobicContact CB-CD 4.19Å; D24-K27 HydrophobicContact CB-CG 4.31Å; D24-K27 PolarHBondContact O-N 3.01Å; D24-K27 VanDerWaalsContact O-N 3.13Å; D24-K27 VanDerWaalsContact OD2-CE 3.29Å; D24-K27 WeakPolarHBondContact OD2-CE 3.46Å; L25-K27 VanDerWaalsContact C-N 3.27Å
28	P	88.6	Confident	88	Confident	123 Å²	123	77.6 Å²	77.6	80%	0.799	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-63.5	149.8	174	28.5	-34.6	0	0	0	110.5
29	L	93.8	Very high	89	Confident	41 Å²	41	73.5 Å²	73.5	22%	0.215	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-57.7	149.3	169.3	-70.1	174.2	0	0	0	110.7	P165 C167 A492	L29-P165 HydrophobicContact CD2-CB 4.2Å; L29-P165 HydrophobicContact CD2-CG 3.81Å; L29-P165 WeakPolarHBondContact CD2-O 3.42Å; L29-C167 HydrophobicContact CD1-CB 3.73Å; L29-C167 VanDerWaalsContact CD1-N 3.28Å; L29-A492 HydrophobicContact CB-CB 4.04Å
30	P	94.1	Very high	89.9	Confident	56 Å²	56	65.2 Å²	65.2	36%	0.364	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-59.7	148.2	176.9	26.3	-34.2	0	0	0	110.9	R490 F491 A492	P30-R490 WeakPolarHBondContact CG-O 3.38Å; P30-F491 HydrophobicContact CB-CD1 4.09Å; P30-F491 HydrophobicContact CB-CE1 4.41Å; P30-F491 HydrophobicContact CG-CD1 3.89Å; P30-F491 HydrophobicContact CG-CE1 4.25Å; P30-F491 CarbonylContact O-C 3.47Å; P30-F491 VanDerWaalsContact O-CA 3.23Å; P30-F491 WeakPolarHBondContact O-CA 3.43Å; P30-A492 PolarHBondContact O-N 3.16Å
31	R	96.8	Very high	90.7	Very high	136 Å²	136	64 Å²	64	51%	0.513	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-71.6	150	168.7	-60	-170.2	-175.9	-174.2	3.9	109.7	L86 K88 I89 F491	R31-L86 PolarHBondContact NH1-O 2.91Å; R31-K88 PolarHBondContact NH1-O 3.25Å; R31-K88 VanDerWaalsContact NH1-O 3.12Å; R31-I89 WeakPolarHBondContact CG-O 3.48Å; R31-F491 WeakPolarHBondContact O-CD1 3.19Å
32	L	97.3	Very high	91.5	Very high	9 Å²	9	62.8 Å²	62.8	5%	0.047	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-62.8	124.3	172.5	-174.7	72.6	0	0	0	108.7	W91 V92 F491	L32-W91 HydrophobicContact CD2-CZ2 3.95Å; L32-W91 HydrophobicContact CG-CZ2 4.48Å; L32-W91 PolarHBondContact O-NE1 3.43Å; L32-W91 VanDerWaalsContact O-NE1 3.07Å; L32-V92 HydrophobicContact CD2-CB 4.47Å; L32-V92 HydrophobicContact CD2-CG1 3.63Å; L32-F491 HydrophobicContact CB-CB 4.14Å; L32-F491 HydrophobicContact CB-CG 4.24Å; L32-F491 HydrophobicContact CD1-CB 4.33Å; L32-F491 HydrophobicContact CD1-CD2 3.41Å; L32-F491 VanDerWaalsContact CD1-CD2 3.41Å; L32-F491 HydrophobicContact CD1-CE2 3.84Å; L32-F491 HydrophobicContact CD1-CG 3.87Å
33	P	96.7	Very high	92.1	Very high	42 Å²	42	58 Å²	58	27%	0.273	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-67.2	156.4	177.1	28.4	-34.4	0	0	0	110.8	W91 F491	P33-W91 PolarHBondContact O-NE1 3.1Å; P33-F491 HydrophobicContact CG-CZ 4.46Å
34	V	98.1	Very high	92.9	Very high	29 Å²	29	54.8 Å²	54.8	18%	0.176	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-86.6	121.2	162.9	179.5	0	0	0	0	106.8	L81 K82 A85 W91	V34-L81 HydrophobicContact CG1-CD2 3.86Å; V34-L81 HydrophobicContact CG1-CG 4.11Å; V34-L81 HydrophobicContact CG2-CG 4.35Å; V34-K82 HydrophobicContact CB-CG 4.25Å; V34-K82 HydrophobicContact CG1-CG 4.18Å; V34-K82 HydrophobicContact CG2-CG 4.48Å; V34-A85 HydrophobicContact CG2-CB 3.59Å; V34-W91 HydrophobicContact CG2-CD2 4.33Å; V34-W91 HydrophobicContact CG2-CG 4.36Å
35	P	96.8	Very high	93.6	Very high	4 Å²	4	52.4 Å²	52.4	3%	0.026	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-64.4	164.1	-178	-22.3	34.8	0	0	0	112.6	Q78 G545 H551	P35-Q78 PolarHBondContact O-NE2 2.96Å; P35-G545 WeakPolarHBondContact CG-O 3.26Å; P35-H551 HydrophobicContact CB-CB 4.44Å; P35-H551 HydrophobicContact CG-CB 3.9Å; P35-H551 PolarHBondContact O-CE1 2.95Å
36	D	95.9	Very high	94.3	Very high	69 Å²	69	54.3 Å²	54.3	37%	0.369	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-68.4	137.3	171.4	176.3	-99.9	0	0	0	110.8	H38 N39 T40	D36-H38 PolarHBondContact OD1-N 3.02Å; D36-N39 HydrophobicContact CB-CB 4.08Å; D36-N39 PolarHBondContact OD1-N 3.4Å; D36-T40 WeakPolarHBondContact O-CB 3.36Å; D36-T40 PolarHBondContact O-N 3.33Å; D36-T40 VanDerWaalsContact O-N 3.07Å; D36-T40 PolarHBondContact O-OG1 2.98Å
37	L	97.8	Very high	94.9	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-63.5	-50.9	-175.3	175.9	65.6	0	0	0	111.4	N39 T40 L41 F67 G74 E75 Q78 L555	L37-N39 VanDerWaalsContact C-N 3.34Å; L37-N39 PolarHBondContact O-N 3.39Å; L37-T40 PolarHBondContact O-N 3.09Å; L37-L41 HydrophobicContact CD1-CD1 4.04Å; L37-L41 HydrophobicContact CD1-CG 4.13Å; L37-L41 HydrophobicContact CG-CD1 4.01Å; L37-L41 HydrophobicContact CG-CG 4.4Å; L37-L41 VanDerWaalsContact O-CG 3.29Å; L37-L41 WeakPolarHBondContact O-CG 3.47Å; L37-L41 PolarHBondContact O-N 3.19Å; L37-F67 HydrophobicContact CD1-CE1 4.1Å; L37-G74 WeakPolarHBondContact CD2-O 3.5Å; L37-E75 HydrophobicContact CD2-CG 4.15Å; L37-Q78 HydrophobicContact CB-CB 4.5Å; L37-Q78 HydrophobicContact CB-CG 4.15Å; L37-Q78 HydrophobicContact CD2-CB 4.31Å; L37-L555 HydrophobicContact CD1-CD1 3.81Å
38	H	95.5	Very high	95.4	Very high	94 Å²	94	43.5 Å²	43.5	44%	0.435	22%	0.223	S	C	.	.	H	α-helix	trans	-68	-37.6	-174.4	-64.8	-70.5	0	0	0	111.8	D36 L41 D42 G68	D36-H38 PolarHBondContact OD1-N 3.02Å; H38-L41 PolarHBondContact O-N 3.32Å; H38-D42 WeakPolarHBondContact O-CB 3.4Å; H38-D42 PolarHBondContact O-N 3.13Å; H38-G68 PolarHBondContact CE1-O 3.05Å
39	N	93.3	Very high	95.7	Very high	57 Å²	57	38.8 Å²	38.8	31%	0.305	19%	0.194	S	C	.	.	H	α-helix	trans	-60.5	-45.5	172.4	-73.6	-16.7	0	0	0	111.8	D36 L37 L41 D42 R43 I669	D36-N39 HydrophobicContact CB-CB 4.08Å; D36-N39 PolarHBondContact OD1-N 3.4Å; L37-N39 VanDerWaalsContact C-N 3.34Å; L37-N39 PolarHBondContact O-N 3.39Å; N39-L41 VanDerWaalsContact C-N 3.34Å; N39-L41 PolarHBondContact O-N 2.97Å; N39-D42 PolarHBondContact O-N 2.93Å; N39-R43 WeakPolarHBondContact O-CB 3.45Å; N39-R43 WeakPolarHBondContact O-CG 3.01Å; N39-R43 PolarHBondContact O-N 3.17Å; N39-I669 HydrophobicContact CB-CD1 3.83Å; N39-I669 WeakPolarHBondContact ND2-CD1 3.3Å
40	T	96.5	Very high	95.9	Very high	4 Å²	4	37.4 Å²	37.4	3%	0.025	19%	0.188	C	C	.	.	H	α-helix	trans	-62.5	-41	176.2	-69.8	0	0	0	0	111.9	D36 L37 R43 Y44 V548 H551 L552	D36-T40 WeakPolarHBondContact O-CB 3.36Å; D36-T40 PolarHBondContact O-N 3.33Å; D36-T40 VanDerWaalsContact O-N 3.07Å; D36-T40 PolarHBondContact O-OG1 2.98Å; L37-T40 PolarHBondContact O-N 3.09Å; T40-R43 PolarHBondContact O-N 3.11Å; T40-Y44 VanDerWaalsContact O-CB 3.31Å; T40-Y44 WeakPolarHBondContact O-CB 3.36Å; T40-Y44 PolarHBondContact O-N 3.26Å; T40-V548 HydrophobicContact CG2-CG1 4.07Å; T40-H551 WeakPolarHBondContact CB-ND1 3.45Å; T40-H551 HydrophobicContact CG2-CB 4.02Å; T40-H551 PolarHBondContact OG1-ND1 3.45Å; T40-L552 HydrophobicContact CG2-CD2 3.89Å; T40-L552 HydrophobicContact CG2-CG 4.04Å
41	L	97.2	Very high	95.9	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.037	18%	0.181	C	C	.	.	H	α-helix	trans	-67	-40.5	178.5	-69.9	-178.7	0	0	0	112.6	L37 H38 N39 Y44 L45 V64 F67 I569	L37-L41 HydrophobicContact CD1-CD1 4.04Å; L37-L41 HydrophobicContact CD1-CG 4.13Å; L37-L41 HydrophobicContact CG-CD1 4.01Å; L37-L41 HydrophobicContact CG-CG 4.4Å; L37-L41 VanDerWaalsContact O-CG 3.29Å; L37-L41 WeakPolarHBondContact O-CG 3.47Å; L37-L41 PolarHBondContact O-N 3.19Å; H38-L41 PolarHBondContact O-N 3.32Å; N39-L41 VanDerWaalsContact C-N 3.34Å; N39-L41 PolarHBondContact O-N 2.97Å; L41-Y44 PolarHBondContact O-N 3.33Å; L41-L45 PolarHBondContact O-N 3.27Å; L41-L45 VanDerWaalsContact O-N 3.12Å; L41-V64 HydrophobicContact CB-CG1 3.76Å; L41-V64 HydrophobicContact CD1-CG1 4.3Å; L41-V64 HydrophobicContact CD2-CG1 4.22Å; L41-V64 HydrophobicContact CG-CG1 4.3Å; L41-F67 HydrophobicContact CD1-CD1 4.09Å; L41-F67 HydrophobicContact CD2-CD1 3.89Å; L41-F67 HydrophobicContact CD2-CE1 4.22Å; L41-I569 HydrophobicContact CD2-CD1 3.89Å
42	D	94.4	Very high	95.9	Very high	71 Å²	71	31.3 Å²	31.3	38%	0.38	17%	0.165	S	C	.	.	H	α-helix	trans	-63.9	-45.1	173.6	-179.1	64.1	0	0	0	111.5	H38 N39 Y44 L45 R46	H38-D42 WeakPolarHBondContact O-CB 3.4Å; H38-D42 PolarHBondContact O-N 3.13Å; N39-D42 PolarHBondContact O-N 2.93Å; D42-Y44 VanDerWaalsContact C-N 3.35Å; D42-Y44 PolarHBondContact O-N 3.32Å; D42-L45 PolarHBondContact O-N 3.14Å; D42-R46 WeakPolarHBondContact O-CG 3.29Å; D42-R46 PolarHBondContact O-N 2.99Å; D42-R46 VanDerWaalsContact O-N 3.07Å; D42-R46 IonicContact OD1-NE 3.35Å; D42-R46 PolarHBondContact OD1-NE 2.95Å; D42-R46 IonicContact OD1-NH2 3.1Å; D42-R46 IonicContact OD2-CZ 3.67Å; D42-R46 IonicContact OD2-NE 3.61Å; D42-R46 PolarHBondContact OD2-NE 3.26Å; D42-R46 IonicContact OD2-NH2 2.76Å; D42-R46 PolarHBondContact OD2-NH2 3.44Å; D42-R46 VanDerWaalsContact OD2-NH2 3.1Å
43	R	93	Very high	95.8	Very high	19 Å²	19	33.1 Å²	33.1	7%	0.072	18%	0.178	C	C	.	.	H	α-helix	trans	-65	-36.7	176	-71.1	-68.9	-169.3	-154	-13.6	112.5	N39 T40 L45 R46 L47 E537 E541 V548	N39-R43 WeakPolarHBondContact O-CB 3.45Å; N39-R43 WeakPolarHBondContact O-CG 3.01Å; N39-R43 PolarHBondContact O-N 3.17Å; T40-R43 PolarHBondContact O-N 3.11Å; R43-L45 VanDerWaalsContact C-N 3.34Å; R43-L45 PolarHBondContact O-N 3.43Å; R43-R46 PolarHBondContact O-N 3.23Å; R43-L47 PolarHBondContact O-N 3.31Å; R43-E537 IonicContact CZ-OE1 2.82Å; R43-E537 IonicContact CZ-OE2 3.81Å; R43-E537 IonicContact NH1-OE1 3.38Å; R43-E537 IonicContact NH1-OE2 3.46Å; R43-E537 PolarHBondContact NH1-OE2 2.88Å; R43-E537 VanDerWaalsContact NH1-OE2 3.07Å; R43-E537 IonicContact NH2-OE1 2.67Å; R43-E537 PolarHBondContact NH2-OE1 2.87Å; R43-E537 IonicContact NH2-OE2 3.52Å; R43-E537 PolarHBondContact NH2-OE2 3.42Å; R43-E541 IonicContact CZ-OE1 3.02Å; R43-E541 IonicContact CZ-OE2 2.68Å; R43-E541 VanDerWaalsContact CZ-OE2 3.28Å; R43-E541 IonicContact NE-OE1 3.56Å; R43-E541 IonicContact NE-OE2 3.63Å; R43-E541 PolarHBondContact NE-OE2 2.84Å; R43-E541 VanDerWaalsContact NH2-CD 3.28Å; R43-E541 IonicContact NH2-OE1 3.06Å; R43-E541 PolarHBondContact NH2-OE1 3.3Å; R43-E541 IonicContact NH2-OE2 3.89Å; R43-E541 PolarHBondContact NH2-OE2 2.91Å; R43-V548 HydrophobicContact CB-CG2 3.38Å; R43-V548 HydrophobicContact CG-CG2 4.37Å
44	Y	96.7	Very high	95.8	Very high	1 Å²	1	38.7 Å²	38.7	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-41.4	173.1	172.8	-116.7	0	0	0	112.1	T40 L41 D42 R46 L47 I48 T60 V64 L552 I569 Y575	T40-Y44 VanDerWaalsContact O-CB 3.31Å; T40-Y44 WeakPolarHBondContact O-CB 3.36Å; T40-Y44 PolarHBondContact O-N 3.26Å; L41-Y44 PolarHBondContact O-N 3.33Å; D42-Y44 VanDerWaalsContact C-N 3.35Å; D42-Y44 PolarHBondContact O-N 3.32Å; Y44-R46 VanDerWaalsContact C-N 3.35Å; Y44-R46 PolarHBondContact O-N 3.18Å; Y44-L47 HydrophobicContact CD2-CD1 4.23Å; Y44-L47 HydrophobicContact CD2-CD2 4.29Å; Y44-L47 HydrophobicContact CD2-CG 4.33Å; Y44-L47 WeakPolarHBondContact O-CG 3.43Å; Y44-L47 PolarHBondContact O-N 2.9Å; Y44-I48 HydrophobicContact CD2-CG2 4.11Å; Y44-I48 HydrophobicContact CE1-CD1 4.36Å; Y44-I48 HydrophobicContact CE2-CG2 3.57Å; Y44-I48 WeakPolarHBondContact O-CG1 3.02Å; Y44-I48 PolarHBondContact O-N 3.1Å; Y44-T60 HydrophobicContact CE1-CG2 3.61Å; Y44-V64 HydrophobicContact CD1-CG2 3.77Å; Y44-V64 HydrophobicContact CE1-CG2 3.91Å; Y44-L552 HydrophobicContact CD2-CD1 3.63Å; Y44-L552 HydrophobicContact CE2-CD1 4.26Å; Y44-L552 HydrophobicContact CG-CD1 3.92Å; Y44-I569 HydrophobicContact CD1-CD1 4.14Å; Y44-I569 HydrophobicContact CE1-CD1 4.01Å; Y44-I569 HydrophobicContact CE1-CG1 4.11Å; Y44-Y575 HydrophobicContact CE2-CD2 4.08Å; Y44-Y575 WeakPolarHBondContact OH-CA 3.4Å; Y44-Y575 WeakPolarHBondContact OH-CB 3.31Å; Y44-Y575 PolarHBondContact OH-N 3.16Å
45	L	96.8	Very high	95.8	Very high	26 Å²	26	44 Å²	44	14%	0.136	22%	0.221	C	C	.	.	H	α-helix	trans	-64.5	-41	173.6	-69.5	174.2	0	0	0	111.6	L41 D42 R43 L47 I48 A49 F57 T60 K61 V64	L41-L45 PolarHBondContact O-N 3.27Å; L41-L45 VanDerWaalsContact O-N 3.12Å; D42-L45 PolarHBondContact O-N 3.14Å; R43-L45 VanDerWaalsContact C-N 3.34Å; R43-L45 PolarHBondContact O-N 3.43Å; L45-L47 PolarHBondContact O-N 3.44Å; L45-I48 HydrophobicContact CD2-CD1 4.21Å; L45-I48 WeakPolarHBondContact O-CG1 3.29Å; L45-I48 PolarHBondContact O-N 2.81Å; L45-A49 WeakPolarHBondContact O-CB 3.26Å; L45-A49 PolarHBondContact O-N 3.34Å; L45-A49 VanDerWaalsContact O-N 3.13Å; L45-F57 HydrophobicContact CB-CE2 4.14Å; L45-F57 HydrophobicContact CB-CZ 4.45Å; L45-F57 HydrophobicContact CD2-CE2 4.15Å; L45-F57 VanDerWaalsContact O-CE2 3.25Å; L45-F57 WeakPolarHBondContact O-CE2 3.34Å; L45-T60 HydrophobicContact CD2-CG2 4.17Å; L45-K61 HydrophobicContact CD1-CG 4.1Å; L45-K61 HydrophobicContact CD2-CG 3.87Å; L45-V64 HydrophobicContact CD1-CB 4.32Å; L45-V64 HydrophobicContact CD1-CG1 3.92Å; L45-V64 HydrophobicContact CD2-CB 4.27Å; L45-V64 HydrophobicContact CD2-CG2 3.84Å; L45-V64 HydrophobicContact CG-CB 4.4Å; L45-V64 HydrophobicContact CG-CG1 4.21Å; L45-V64 HydrophobicContact CG-CG2 4.16Å
46	R	94.1	Very high	95.9	Very high	102 Å²	102	46.6 Å²	46.6	39%	0.385	23%	0.234	S	C	.	.	H	α-helix	trans	-65.4	-35.4	179.4	-69	161.8	-175.3	-98.7	9.3	113.2	D42 R43 Y44 P50 W534	D42-R46 WeakPolarHBondContact O-CG 3.29Å; D42-R46 PolarHBondContact O-N 2.99Å; D42-R46 VanDerWaalsContact O-N 3.07Å; D42-R46 IonicContact OD1-NE 3.35Å; D42-R46 PolarHBondContact OD1-NE 2.95Å; D42-R46 IonicContact OD1-NH2 3.1Å; D42-R46 IonicContact OD2-CZ 3.67Å; D42-R46 IonicContact OD2-NE 3.61Å; D42-R46 PolarHBondContact OD2-NE 3.26Å; D42-R46 IonicContact OD2-NH2 2.76Å; D42-R46 PolarHBondContact OD2-NH2 3.44Å; D42-R46 VanDerWaalsContact OD2-NH2 3.1Å; R43-R46 PolarHBondContact O-N 3.23Å; Y44-R46 VanDerWaalsContact C-N 3.35Å; Y44-R46 PolarHBondContact O-N 3.18Å; R46-P50 WeakPolarHBondContact O-CD 3.36Å; R46-W534 HydrophobicContact CB-CH2 4.11Å; R46-W534 HydrophobicContact CB-CZ2 4.09Å; R46-W534 HydrophobicContact CG-CH2 4.16Å
47	L	93.7	Very high	96	Very high	18 Å²	18	45 Å²	45	9%	0.094	23%	0.225	C	C	.	.	H	α-helix	trans	-76	-28.5	-179.9	74.6	84.4	0	0	0	113.2	R43 Y44 L45 P50 R500 V548	R43-L47 PolarHBondContact O-N 3.31Å; Y44-L47 HydrophobicContact CD2-CD1 4.23Å; Y44-L47 HydrophobicContact CD2-CD2 4.29Å; Y44-L47 HydrophobicContact CD2-CG 4.33Å; Y44-L47 WeakPolarHBondContact O-CG 3.43Å; Y44-L47 PolarHBondContact O-N 2.9Å; L45-L47 PolarHBondContact O-N 3.44Å; L47-P50 WeakPolarHBondContact O-CD 3.48Å; L47-R500 HydrophobicContact CB-CB 4.3Å; L47-R500 HydrophobicContact CB-CG 4.19Å; L47-R500 HydrophobicContact CD2-CG 4.23Å; L47-V548 HydrophobicContact CD2-CB 4.05Å; L47-V548 HydrophobicContact CD2-CG1 3.68Å; L47-V548 HydrophobicContact CD2-CG2 4.28Å
48	I	96	Very high	96	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-85.3	-26.3	177.7	67.4	175.8	0	0	0	112.9	Y44 L45 P50 V51 V52 F57 T60	Y44-I48 HydrophobicContact CD2-CG2 4.11Å; Y44-I48 HydrophobicContact CE1-CD1 4.36Å; Y44-I48 HydrophobicContact CE2-CG2 3.57Å; Y44-I48 WeakPolarHBondContact O-CG1 3.02Å; Y44-I48 PolarHBondContact O-N 3.1Å; L45-I48 HydrophobicContact CD2-CD1 4.21Å; L45-I48 WeakPolarHBondContact O-CG1 3.29Å; L45-I48 PolarHBondContact O-N 2.81Å; I48-P50 VanDerWaalsContact C-CD 3.4Å; I48-P50 VanDerWaalsContact C-N 3.34Å; I48-V51 HydrophobicContact CB-CG2 4.48Å; I48-V51 WeakPolarHBondContact O-CG2 3.26Å; I48-V51 PolarHBondContact O-N 3.46Å; I48-V52 HydrophobicContact CB-CG1 4.4Å; I48-V52 HydrophobicContact CB-CG2 4.49Å; I48-V52 WeakPolarHBondContact O-CG2 3.43Å; I48-V52 PolarHBondContact O-N 3.5Å; I48-V52 VanDerWaalsContact O-N 3.12Å; I48-F57 HydrophobicContact CD1-CD2 4.06Å; I48-F57 HydrophobicContact CD1-CE2 4.36Å; I48-F57 HydrophobicContact CG1-CD2 3.93Å; I48-F57 HydrophobicContact CG1-CE2 4.02Å; I48-T60 HydrophobicContact CD1-CG2 3.38Å
49	A	96.5	Very high	96.1	Very high	24 Å²	24	48.6 Å²	48.6	20%	0.198	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-40.7	-177.2	0	0	0	0	0	115.6	L45 V51 F57 M504	L45-A49 WeakPolarHBondContact O-CB 3.26Å; L45-A49 PolarHBondContact O-N 3.34Å; L45-A49 VanDerWaalsContact O-N 3.13Å; A49-V51 VanDerWaalsContact C-N 3.34Å; A49-F57 HydrophobicContact CB-CD2 4.38Å; A49-F57 HydrophobicContact CB-CE2 3.86Å; A49-F57 HydrophobicContact CB-CZ 3.93Å; A49-M504 HydrophobicContact CB-CG 3.95Å; A49-M504 HydrophobicContact CB-SD 4.27Å
50	P	96.2	Very high	96.4	Very high	13 Å²	13	45.9 Å²	45.9	8%	0.084	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-12.1	179.1	30.7	-36.8	0	0	0	114.7	R46 L47 I48 M504 L507	R46-P50 WeakPolarHBondContact O-CD 3.36Å; L47-P50 WeakPolarHBondContact O-CD 3.48Å; I48-P50 VanDerWaalsContact C-CD 3.4Å; I48-P50 VanDerWaalsContact C-N 3.34Å; P50-M504 HydrophobicContact CB-CG 4.48Å; P50-M504 HydrophobicContact CB-SD 4Å; P50-L507 HydrophobicContact CB-CB 4.37Å; P50-L507 HydrophobicContact CB-CD2 4.15Å
51	V	95.2	Very high	96.5	Very high	36 Å²	36	49 Å²	49	22%	0.218	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-26.7	-170.5	-60.8	0	0	0	0	114.3	I48 A49 P481 C502	I48-V51 HydrophobicContact CB-CG2 4.48Å; I48-V51 WeakPolarHBondContact O-CG2 3.26Å; I48-V51 PolarHBondContact O-N 3.46Å; A49-V51 VanDerWaalsContact C-N 3.34Å; V51-P481 HydrophobicContact CB-CG 4.42Å; V51-P481 HydrophobicContact CG1-CG 4.25Å; V51-P481 HydrophobicContact CG2-CG 4.32Å; V51-C502 WeakPolarHBondContact CG1-SG 3.14Å
52	V	96	Very high	96.5	Very high	28 Å²	28	54.7 Å²	54.7	17%	0.17	27%	0.266	C	S	.	.	S	Bend	trans	-97.9	162.6	-178.9	-57.1	0	0	0	0	112.7	I48 D56 F57	I48-V52 HydrophobicContact CB-CG1 4.4Å; I48-V52 HydrophobicContact CB-CG2 4.49Å; I48-V52 WeakPolarHBondContact O-CG2 3.43Å; I48-V52 PolarHBondContact O-N 3.5Å; I48-V52 VanDerWaalsContact O-N 3.12Å; V52-D56 HydrophobicContact CB-CB 4Å; V52-D56 HydrophobicContact CG2-CB 4.29Å; V52-F57 HydrophobicContact CG2-CB 3.84Å; V52-F57 HydrophobicContact CG2-CD2 4.33Å
53	S	96.1	Very high	96.7	Very high	47 Å²	47	53.3 Å²	53.3	33%	0.329	26%	0.258	S	S	.	.			trans	-63.9	161.8	171.2	72.8	0	0	0	0	111.3	E55 D56 F57	S53-E55 VanDerWaalsContact C-N 3.27Å; S53-E55 PolarHBondContact O-N 2.66Å; S53-D56 PolarHBondContact O-N 3Å; S53-D56 VanDerWaalsContact OG-CB 3.29Å; S53-D56 WeakPolarHBondContact OG-CB 3.37Å; S53-D56 PolarHBondContact OG-N 3.25Å; S53-D56 PolarHBondContact OG-OD2 2.87Å; S53-F57 WeakPolarHBondContact O-CB 3.49Å; S53-F57 PolarHBondContact O-N 3.06Å
54	K	96.2	Very high	97	Very high	158 Å²	158	52.9 Å²	52.9	69%	0.687	26%	0.258	S	S	*	.	H	α-helix	trans	-63.1	-39.1	176.2	-173.2	-179.1	178.7	-175.8	0	110.8	F57 E58	K54-F57 PolarHBondContact O-N 3.08Å; K54-E58 WeakPolarHBondContact O-CG 3.12Å; K54-E58 PolarHBondContact O-N 3.15Å
55	E	97.9	Very high	97.1	Very high	142 Å²	142	60.6 Å²	60.6	66%	0.664	29%	0.291	S	S	*	.	H	α-helix	trans	-63.1	-46.2	178.3	-64	72.5	-156.4	0	0	111.3	S53 F57 E58 R59	S53-E55 VanDerWaalsContact C-N 3.27Å; S53-E55 PolarHBondContact O-N 2.66Å; E55-F57 VanDerWaalsContact C-N 3.35Å; E55-E58 PolarHBondContact O-N 3.48Å; E55-R59 PolarHBondContact O-N 2.87Å; E55-R59 VanDerWaalsContact O-N 3.08Å
56	D	98.1	Very high	97.1	Very high	57 Å²	57	64.2 Å²	64.2	31%	0.305	31%	0.308	S	S	.	.	H	α-helix	trans	-65.1	-39.2	176	-73.9	-48.2	0	0	0	111.9	V52 S53 R59 T60	V52-D56 HydrophobicContact CB-CB 4Å; V52-D56 HydrophobicContact CG2-CB 4.29Å; S53-D56 PolarHBondContact O-N 3Å; S53-D56 VanDerWaalsContact OG-CB 3.29Å; S53-D56 WeakPolarHBondContact OG-CB 3.37Å; S53-D56 PolarHBondContact OG-N 3.25Å; S53-D56 PolarHBondContact OG-OD2 2.87Å; D56-R59 WeakPolarHBondContact O-CB 3.35Å; D56-R59 PolarHBondContact O-N 2.96Å; D56-R59 IonicContact OD1-CZ 2.94Å; D56-R59 IonicContact OD1-NE 3.86Å; D56-R59 PolarHBondContact OD1-NE 3.29Å; D56-R59 IonicContact OD1-NH2 3.74Å; D56-R59 PolarHBondContact OD1-NH2 3.21Å; D56-T60 PolarHBondContact O-N 3.46Å; D56-T60 PolarHBondContact O-OG1 3.48Å
57	F	98.2	Very high	97.4	Very high	37 Å²	37	59.7 Å²	59.7	16%	0.162	29%	0.291	C	S	.	.	H	α-helix	trans	-61.7	-45.6	177.5	-172.6	-125.1	0	0	0	112.3	L45 I48 A49 V52 S53 K54 E55 R59 T60 K61	L45-F57 HydrophobicContact CB-CE2 4.14Å; L45-F57 HydrophobicContact CB-CZ 4.45Å; L45-F57 HydrophobicContact CD2-CE2 4.15Å; L45-F57 VanDerWaalsContact O-CE2 3.25Å; L45-F57 WeakPolarHBondContact O-CE2 3.34Å; I48-F57 HydrophobicContact CD1-CD2 4.06Å; I48-F57 HydrophobicContact CD1-CE2 4.36Å; I48-F57 HydrophobicContact CG1-CD2 3.93Å; I48-F57 HydrophobicContact CG1-CE2 4.02Å; A49-F57 HydrophobicContact CB-CD2 4.38Å; A49-F57 HydrophobicContact CB-CE2 3.86Å; A49-F57 HydrophobicContact CB-CZ 3.93Å; V52-F57 HydrophobicContact CG2-CB 3.84Å; V52-F57 HydrophobicContact CG2-CD2 4.33Å; S53-F57 WeakPolarHBondContact O-CB 3.49Å; S53-F57 PolarHBondContact O-N 3.06Å; K54-F57 PolarHBondContact O-N 3.08Å; E55-F57 VanDerWaalsContact C-N 3.35Å; F57-R59 VanDerWaalsContact C-N 3.33Å; F57-R59 PolarHBondContact O-N 3.29Å; F57-T60 PolarHBondContact O-N 3.09Å; F57-K61 HydrophobicContact CD1-CD 4.46Å; F57-K61 HydrophobicContact CE1-CD 4.28Å; F57-K61 VanDerWaalsContact CE1-NZ 3.31Å; F57-K61 VanDerWaalsContact CZ-CE 3.46Å; F57-K61 WeakPolarHBondContact O-CG 3.5Å; F57-K61 PolarHBondContact O-N 3.03Å
58	E	98.3	Very high	97.6	Very high	88 Å²	88	59.3 Å²	59.3	41%	0.411	29%	0.291	S	S	.	.	H	α-helix	trans	-65.6	-37.3	177.2	-67.3	-53.9	135.8	0	0	111.8	K54 E55 K61 L62	K54-E58 WeakPolarHBondContact O-CG 3.12Å; K54-E58 PolarHBondContact O-N 3.15Å; E55-E58 PolarHBondContact O-N 3.48Å; E58-K61 PolarHBondContact O-N 3.24Å; E58-K61 IonicContact OE1-NZ 3.55Å; E58-K61 PolarHBondContact OE1-NZ 2.95Å; E58-K61 IonicContact OE2-NZ 3.07Å; E58-L62 WeakPolarHBondContact O-CG 3.32Å; E58-L62 PolarHBondContact O-N 2.97Å
59	R	98.2	Very high	97.7	Very high	86 Å²	86	63.2 Å²	63.2	33%	0.325	31%	0.308	S	S	.	.	H	α-helix	trans	-60.6	-48.5	172.3	-178.8	171.7	63.5	81	8.3	111.3	E55 D56 F57 K61 L62 L63 D572	E55-R59 PolarHBondContact O-N 2.87Å; E55-R59 VanDerWaalsContact O-N 3.08Å; D56-R59 WeakPolarHBondContact O-CB 3.35Å; D56-R59 PolarHBondContact O-N 2.96Å; D56-R59 IonicContact OD1-CZ 2.94Å; D56-R59 IonicContact OD1-NE 3.86Å; D56-R59 PolarHBondContact OD1-NE 3.29Å; D56-R59 IonicContact OD1-NH2 3.74Å; D56-R59 PolarHBondContact OD1-NH2 3.21Å; F57-R59 VanDerWaalsContact C-N 3.33Å; F57-R59 PolarHBondContact O-N 3.29Å; R59-K61 VanDerWaalsContact C-N 3.35Å; R59-K61 PolarHBondContact O-N 2.95Å; R59-L62 PolarHBondContact O-N 3.45Å; R59-L63 PolarHBondContact O-N 3.48Å; R59-D572 IonicContact CZ-OD1 2.7Å; R59-D572 IonicContact NH1-OD1 3.26Å; R59-D572 PolarHBondContact NH1-OD1 2.87Å; R59-D572 IonicContact NH2-OD1 3.25Å; R59-D572 PolarHBondContact NH2-OD1 2.86Å
60	T	98.6	Very high	97.7	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-64.3	-37.3	178.8	-55.1	0	0	0	0	112.1	Y44 L45 I48 D56 F57 L62 L63 V64 D572 S574	Y44-T60 HydrophobicContact CE1-CG2 3.61Å; L45-T60 HydrophobicContact CD2-CG2 4.17Å; I48-T60 HydrophobicContact CD1-CG2 3.38Å; D56-T60 PolarHBondContact O-N 3.46Å; D56-T60 PolarHBondContact O-OG1 3.48Å; F57-T60 PolarHBondContact O-N 3.09Å; T60-L62 VanDerWaalsContact C-N 3.31Å; T60-L62 PolarHBondContact O-N 3.18Å; T60-L63 PolarHBondContact O-N 3.01Å; T60-V64 HydrophobicContact CG2-CG2 4.16Å; T60-V64 WeakPolarHBondContact O-CB 3.5Å; T60-V64 WeakPolarHBondContact O-CG2 3.5Å; T60-V64 PolarHBondContact O-N 2.84Å; T60-D572 WeakPolarHBondContact CB-OD2 3.34Å; T60-D572 WeakPolarHBondContact CG2-OD2 3.41Å; T60-D572 PolarHBondContact OG1-OD2 3.42Å; T60-S574 WeakPolarHBondContact OG1-CB 3.19Å; T60-S574 PolarHBondContact OG1-OG 3.35Å
61	K	98.5	Very high	97.6	Very high	70 Å²	70	70.4 Å²	70.4	30%	0.304	37%	0.366	S	S	.	.	H	α-helix	trans	-56.6	-42.6	173.4	-80.4	-179.5	-177	163.2	0	113	L45 F57 E58 R59 V64 K65	L45-K61 HydrophobicContact CD1-CG 4.1Å; L45-K61 HydrophobicContact CD2-CG 3.87Å; F57-K61 HydrophobicContact CD1-CD 4.46Å; F57-K61 HydrophobicContact CE1-CD 4.28Å; F57-K61 VanDerWaalsContact CE1-NZ 3.31Å; F57-K61 VanDerWaalsContact CZ-CE 3.46Å; F57-K61 WeakPolarHBondContact O-CG 3.5Å; F57-K61 PolarHBondContact O-N 3.03Å; E58-K61 PolarHBondContact O-N 3.24Å; E58-K61 IonicContact OE1-NZ 3.55Å; E58-K61 PolarHBondContact OE1-NZ 2.95Å; E58-K61 IonicContact OE2-NZ 3.07Å; R59-K61 VanDerWaalsContact C-N 3.35Å; R59-K61 PolarHBondContact O-N 2.95Å; K61-V64 PolarHBondContact O-N 2.96Å; K61-K65 WeakPolarHBondContact O-CB 3.38Å; K61-K65 PolarHBondContact O-N 3.34Å
62	L	98.6	Very high	97.7	Very high	125 Å²	125	69 Å²	69	65%	0.654	36%	0.359	S	S	*	.	H	α-helix	trans	-64.4	-42.6	178.1	-66.6	174.1	0	0	0	111.2	E58 R59 T60 K65 E66	E58-L62 WeakPolarHBondContact O-CG 3.32Å; E58-L62 PolarHBondContact O-N 2.97Å; R59-L62 PolarHBondContact O-N 3.45Å; T60-L62 VanDerWaalsContact C-N 3.31Å; T60-L62 PolarHBondContact O-N 3.18Å; L62-K65 PolarHBondContact O-N 3.49Å; L62-E66 WeakPolarHBondContact O-CB 3.38Å; L62-E66 PolarHBondContact O-N 2.99Å
63	L	98.6	Very high	97.7	Very high	43 Å²	43	71.9 Å²	71.9	23%	0.225	37%	0.37	C	S	.	.	H	α-helix	trans	-63.5	-43.8	176	-64.5	177.2	0	0	0	112.1	R59 T60 E66 F67 N568 D572	R59-L63 PolarHBondContact O-N 3.48Å; T60-L63 PolarHBondContact O-N 3.01Å; L63-E66 PolarHBondContact O-N 3.4Å; L63-F67 VanDerWaalsContact O-CB 3.25Å; L63-F67 WeakPolarHBondContact O-CB 3.49Å; L63-F67 PolarHBondContact O-N 3.39Å; L63-N568 HydrophobicContact CD2-CB 3.93Å; L63-D572 HydrophobicContact CD1-CB 3.83Å
64	V	98.6	Very high	97.9	Very high	10 Å²	10	69.6 Å²	69.6	6%	0.061	35%	0.354	C	S	.	.	H	α-helix	trans	-62.6	-43.7	177	167.8	0	0	0	0	111.3	L41 Y44 L45 T60 K61 F67 G68 I569	L41-V64 HydrophobicContact CB-CG1 3.76Å; L41-V64 HydrophobicContact CD1-CG1 4.3Å; L41-V64 HydrophobicContact CD2-CG1 4.22Å; L41-V64 HydrophobicContact CG-CG1 4.3Å; Y44-V64 HydrophobicContact CD1-CG2 3.77Å; Y44-V64 HydrophobicContact CE1-CG2 3.91Å; L45-V64 HydrophobicContact CD1-CB 4.32Å; L45-V64 HydrophobicContact CD1-CG1 3.92Å; L45-V64 HydrophobicContact CD2-CB 4.27Å; L45-V64 HydrophobicContact CD2-CG2 3.84Å; L45-V64 HydrophobicContact CG-CB 4.4Å; L45-V64 HydrophobicContact CG-CG1 4.21Å; L45-V64 HydrophobicContact CG-CG2 4.16Å; T60-V64 HydrophobicContact CG2-CG2 4.16Å; T60-V64 WeakPolarHBondContact O-CB 3.5Å; T60-V64 WeakPolarHBondContact O-CG2 3.5Å; T60-V64 PolarHBondContact O-N 2.84Å; K61-V64 PolarHBondContact O-N 2.96Å; V64-F67 PolarHBondContact O-N 3.36Å; V64-G68 PolarHBondContact O-N 3.29Å; V64-I569 HydrophobicContact CG2-CD1 3.75Å; V64-I569 HydrophobicContact CG2-CG1 4.41Å
65	K	98.1	Very high	98	Very high	162 Å²	162	65.2 Å²	65.2	70%	0.704	34%	0.336	S	S	*	.	H	α-helix	trans	-63.3	-42.8	177.4	-176.6	180	177.9	-178	0	111.8	K61 L62 K69	K61-K65 WeakPolarHBondContact O-CB 3.38Å; K61-K65 PolarHBondContact O-N 3.34Å; L62-K65 PolarHBondContact O-N 3.49Å; K65-K69 WeakPolarHBondContact O-CB 3.47Å; K65-K69 PolarHBondContact O-N 3Å; K65-K69 VanDerWaalsContact O-N 3.12Å
66	E	98.6	Very high	98	Very high	103 Å²	103	62.7 Å²	62.7	48%	0.481	33%	0.325	S	S	.	.	H	α-helix	trans	-68.4	-41.4	178.7	178.9	60.8	-171.2	0	0	111.8	L62 L63 K69	L62-E66 WeakPolarHBondContact O-CB 3.38Å; L62-E66 PolarHBondContact O-N 2.99Å; L63-E66 PolarHBondContact O-N 3.4Å; E66-K69 WeakPolarHBondContact O-CG 3.46Å; E66-K69 WeakPolarHBondContact OE1-CE 3.26Å; E66-K69 IonicContact OE1-NZ 3.63Å; E66-K69 PolarHBondContact OE1-NZ 3.15Å; E66-K69 WeakPolarHBondContact OE2-CD 3.34Å; E66-K69 WeakPolarHBondContact OE2-CE 3.29Å; E66-K69 IonicContact OE2-NZ 2.71Å; E66-K69 PolarHBondContact OE2-NZ 3.4Å
67	F	98.7	Very high	98	Very high	7 Å²	7	60.1 Å²	60.1	3%	0.031	31%	0.311	C	S	.	.	H	α-helix	trans	-64.4	-44.6	177.5	-177.7	-106.5	0	0	0	112.2	L37 L41 L63 V64 E73 G74 L77 L555 P567 I569 F570	L37-F67 HydrophobicContact CD1-CE1 4.1Å; L41-F67 HydrophobicContact CD1-CD1 4.09Å; L41-F67 HydrophobicContact CD2-CD1 3.89Å; L41-F67 HydrophobicContact CD2-CE1 4.22Å; L63-F67 VanDerWaalsContact O-CB 3.25Å; L63-F67 WeakPolarHBondContact O-CB 3.49Å; L63-F67 PolarHBondContact O-N 3.39Å; V64-F67 PolarHBondContact O-N 3.36Å; F67-E73 HydrophobicContact CD2-CB 4.04Å; F67-E73 HydrophobicContact CE2-CB 4.12Å; F67-G74 VanDerWaalsContact CE1-CA 3.48Å; F67-G74 VanDerWaalsContact O-CA 3.3Å; F67-G74 WeakPolarHBondContact O-CA 3.3Å; F67-G74 PolarHBondContact O-N 2.99Å; F67-L77 HydrophobicContact CE2-CD1 3.89Å; F67-L77 HydrophobicContact CZ-CD1 4.05Å; F67-L555 HydrophobicContact CE1-CD1 4.31Å; F67-P567 HydrophobicContact CD2-CB 3.94Å; F67-P567 HydrophobicContact CE2-CB 3.68Å; F67-P567 HydrophobicContact CE2-CG 3.87Å; F67-I569 HydrophobicContact CD1-CD1 4.32Å; F67-I569 HydrophobicContact CD1-CG2 4.3Å; F67-I569 HydrophobicContact CD2-CG2 3.89Å; F67-I569 HydrophobicContact CE1-CG2 4.46Å; F67-I569 HydrophobicContact CE2-CG2 4.07Å; F67-I569 HydrophobicContact CG-CG2 4.01Å; F67-I569 HydrophobicContact CZ-CG2 4.34Å; F67-F570 HydrophobicContact CZ-CE2 4.36Å; F67-F570 HydrophobicContact CZ-CZ 4.43Å
68	G	98.1	Very high	98	Very high	9 Å²	9	58.7 Å²	58.7	9%	0.093	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	13.2	-176.6	0	0	0	0	0	115.4	H38 V64	H38-G68 PolarHBondContact CE1-O 3.05Å; V64-G68 PolarHBondContact O-N 3.29Å
69	K	97.7	Very high	98	Very high	82 Å²	82	58.8 Å²	58.8	36%	0.357	31%	0.308	S	S	.	.	S	Bend	trans	-70.7	157.6	176.1	72.8	-173.6	172.6	-175.6	0	110.9	K65 E66 G71 G72	K65-K69 WeakPolarHBondContact O-CB 3.47Å; K65-K69 PolarHBondContact O-N 3Å; K65-K69 VanDerWaalsContact O-N 3.12Å; E66-K69 WeakPolarHBondContact O-CG 3.46Å; E66-K69 WeakPolarHBondContact OE1-CE 3.26Å; E66-K69 IonicContact OE1-NZ 3.63Å; E66-K69 PolarHBondContact OE1-NZ 3.15Å; E66-K69 WeakPolarHBondContact OE2-CD 3.34Å; E66-K69 WeakPolarHBondContact OE2-CE 3.29Å; E66-K69 IonicContact OE2-NZ 2.71Å; E66-K69 PolarHBondContact OE2-NZ 3.4Å; K69-G71 PolarHBondContact O-N 3.22Å; K69-G72 WeakPolarHBondContact O-CA 3.44Å; K69-G72 PolarHBondContact O-N 3.48Å
70	P	97.5	Very high	98.1	Very high	117 Å²	117	56.1 Å²	56.1	76%	0.76	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	126	171.3	-26.3	35.4	0	0	0	111.7	G72	P70-G72 PolarHBondContact O-N 3.37Å
71	G	95.1	Very high	98.1	Very high	72 Å²	72	56.1 Å²	56.1	74%	0.742	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	11.1	-174.1	0	0	0	0	0	115.1	K69 E75	K69-G71 PolarHBondContact O-N 3.22Å; G71-E75 PolarHBondContact N-OE2 2.94Å
72	G	95.5	Very high	98.1	Very high	7 Å²	7	57.4 Å²	57.4	7%	0.072	31%	0.306	C	S	.	.	S	Bend	trans	-77.7	169.4	175.5	0	0	0	0	0	113.4	K69 P70 G74 E75 E76	K69-G72 WeakPolarHBondContact O-CA 3.44Å; K69-G72 PolarHBondContact O-N 3.48Å; P70-G72 PolarHBondContact O-N 3.37Å; G72-G74 PolarHBondContact O-N 3.48Å; G72-G74 VanDerWaalsContact O-N 3.17Å; G72-E75 PolarHBondContact O-N 3.44Å; G72-E76 PolarHBondContact O-N 3.09Å
73	E	97.7	Very high	98.1	Very high	87 Å²	87	57.4 Å²	57.4	41%	0.407	30%	0.302	S	S	.	.	H	α-helix	trans	-55.1	-34.3	179.4	-68.8	175.8	59.7	0	0	112.6	F67 E76 L77	F67-E73 HydrophobicContact CD2-CB 4.04Å; F67-E73 HydrophobicContact CE2-CB 4.12Å; E73-E76 PolarHBondContact O-N 3.36Å; E73-L77 WeakPolarHBondContact O-CB 3.4Å; E73-L77 VanDerWaalsContact O-CG 3.27Å; E73-L77 WeakPolarHBondContact O-CG 3.07Å; E73-L77 PolarHBondContact O-N 3.04Å
74	G	98.6	Very high	98.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64	-41.9	179.7	0	0	0	0	0	113.4	L37 F67 G72 Q78	L37-G74 WeakPolarHBondContact CD2-O 3.5Å; F67-G74 VanDerWaalsContact CE1-CA 3.48Å; F67-G74 VanDerWaalsContact O-CA 3.3Å; F67-G74 WeakPolarHBondContact O-CA 3.3Å; F67-G74 PolarHBondContact O-N 2.99Å; G72-G74 PolarHBondContact O-N 3.48Å; G72-G74 VanDerWaalsContact O-N 3.17Å; G74-Q78 WeakPolarHBondContact O-CB 3.42Å; G74-Q78 PolarHBondContact O-N 3.07Å
75	E	98.4	Very high	98.1	Very high	65 Å²	65	57.5 Å²	57.5	30%	0.304	30%	0.302	S	S	.	.	H	α-helix	trans	-68	-37.6	176.7	-72.4	-172.4	163.8	0	0	111.6	L37 G71 G72 Q78 N79	L37-E75 HydrophobicContact CD2-CG 4.15Å; G71-E75 PolarHBondContact N-OE2 2.94Å; G72-E75 PolarHBondContact O-N 3.44Å; E75-Q78 PolarHBondContact O-N 3.35Å; E75-N79 VanDerWaalsContact O-CG 3.3Å; E75-N79 PolarHBondContact O-N 3.43Å; E75-N79 VanDerWaalsContact O-N 3.07Å; E75-N79 PolarHBondContact O-ND2 3.13Å
76	E	98.1	Very high	98.1	Very high	90 Å²	90	56.2 Å²	56.2	42%	0.421	30%	0.302	S	S	.	.	H	α-helix	trans	-61.7	-53.1	174.9	-172.8	-172.3	-168.2	0	0	111.1	G72 E73 Q78 N79 L80 K564	G72-E76 PolarHBondContact O-N 3.09Å; E73-E76 PolarHBondContact O-N 3.36Å; E76-Q78 VanDerWaalsContact C-N 3.28Å; E76-Q78 PolarHBondContact O-N 3.07Å; E76-N79 PolarHBondContact O-N 3.08Å; E76-N79 VanDerWaalsContact O-N 3.16Å; E76-L80 PolarHBondContact O-N 2.71Å; E76-L80 VanDerWaalsContact O-N 3.08Å; E76-K564 WeakPolarHBondContact OE1-CE 3.42Å; E76-K564 IonicContact OE1-NZ 3.77Å; E76-K564 PolarHBondContact OE1-NZ 2.95Å; E76-K564 IonicContact OE2-NZ 3.42Å; E76-K564 PolarHBondContact OE2-NZ 3.16Å
77	L	98.8	Very high	98	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-64.2	-34.3	179.7	-65.6	175.6	0	0	0	112	F67 E73 N79 L80 L81 L555 I558 A559 K564 P567	F67-L77 HydrophobicContact CE2-CD1 3.89Å; F67-L77 HydrophobicContact CZ-CD1 4.05Å; E73-L77 WeakPolarHBondContact O-CB 3.4Å; E73-L77 VanDerWaalsContact O-CG 3.27Å; E73-L77 WeakPolarHBondContact O-CG 3.07Å; E73-L77 PolarHBondContact O-N 3.04Å; L77-N79 VanDerWaalsContact C-N 3.34Å; L77-L80 HydrophobicContact CD2-CD1 4.38Å; L77-L80 PolarHBondContact O-N 3.25Å; L77-L81 VanDerWaalsContact O-CB 3.29Å; L77-L81 WeakPolarHBondContact O-CB 3.45Å; L77-L81 PolarHBondContact O-N 2.79Å; L77-L555 HydrophobicContact CB-CD2 3.9Å; L77-I558 HydrophobicContact CB-CG2 4.16Å; L77-I558 HydrophobicContact CD2-CG2 4.06Å; L77-A559 HydrophobicContact CD1-CB 4.01Å; L77-A559 HydrophobicContact CD2-CB 3.65Å; L77-K564 HydrophobicContact CD2-CD 3.91Å; L77-P567 HydrophobicContact CD1-CG 3.57Å
78	Q	98.7	Very high	97.9	Very high	7 Å²	7	58.7 Å²	58.7	3%	0.033	32%	0.32	C	S	.	.	H	α-helix	trans	-62.7	-40	174.7	176.8	66.1	-18.5	0	0	112	P35 L37 G74 E75 E76 K82 H551 L555	P35-Q78 PolarHBondContact O-NE2 2.96Å; L37-Q78 HydrophobicContact CB-CB 4.5Å; L37-Q78 HydrophobicContact CB-CG 4.15Å; L37-Q78 HydrophobicContact CD2-CB 4.31Å; G74-Q78 WeakPolarHBondContact O-CB 3.42Å; G74-Q78 PolarHBondContact O-N 3.07Å; E75-Q78 PolarHBondContact O-N 3.35Å; E76-Q78 VanDerWaalsContact C-N 3.28Å; E76-Q78 PolarHBondContact O-N 3.07Å; Q78-K82 HydrophobicContact CG-CD 4.49Å; Q78-K82 VanDerWaalsContact O-CG 3.32Å; Q78-K82 WeakPolarHBondContact O-CG 3.46Å; Q78-K82 PolarHBondContact O-N 3.07Å; Q78-H551 PolarHBondContact OE1-NE2 3.17Å; Q78-L555 HydrophobicContact CB-CD2 4.34Å
79	N	98.6	Very high	97.9	Very high	90 Å²	90	62.7 Å²	62.7	48%	0.481	34%	0.338	S	S	.	.	H	α-helix	trans	-68.1	-45.7	176.3	-69.7	-28.4	0	0	0	111.4	E75 E76 L77 L81 K82 E83	E75-N79 VanDerWaalsContact O-CG 3.3Å; E75-N79 PolarHBondContact O-N 3.43Å; E75-N79 VanDerWaalsContact O-N 3.07Å; E75-N79 PolarHBondContact O-ND2 3.13Å; E76-N79 PolarHBondContact O-N 3.08Å; E76-N79 VanDerWaalsContact O-N 3.16Å; L77-N79 VanDerWaalsContact C-N 3.34Å; N79-L81 VanDerWaalsContact C-N 3.29Å; N79-L81 PolarHBondContact O-N 2.71Å; N79-K82 PolarHBondContact O-N 3.48Å; N79-E83 WeakPolarHBondContact O-CG 3.15Å; N79-E83 PolarHBondContact O-N 2.74Å
80	L	98.7	Very high	97.9	Very high	30 Å²	30	59.4 Å²	59.4	16%	0.157	33%	0.325	C	S	.	.	H	α-helix	trans	-59.1	-41.1	174.9	-66.3	175.3	0	0	0	111.9	E76 L77 E83 Y84 I558	E76-L80 PolarHBondContact O-N 2.71Å; E76-L80 VanDerWaalsContact O-N 3.08Å; L77-L80 HydrophobicContact CD2-CD1 4.38Å; L77-L80 PolarHBondContact O-N 3.25Å; L80-E83 PolarHBondContact O-N 2.96Å; L80-Y84 WeakPolarHBondContact O-CB 3.41Å; L80-Y84 PolarHBondContact O-N 3.47Å; L80-I558 HydrophobicContact CB-CG1 3.75Å
81	L	98.8	Very high	97.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66	-41.2	178	-177.2	59.9	0	0	0	111.9	V34 L77 N79 Y84 A85 W91 W95 L555 I558	V34-L81 HydrophobicContact CG1-CD2 3.86Å; V34-L81 HydrophobicContact CG1-CG 4.11Å; V34-L81 HydrophobicContact CG2-CG 4.35Å; L77-L81 VanDerWaalsContact O-CB 3.29Å; L77-L81 WeakPolarHBondContact O-CB 3.45Å; L77-L81 PolarHBondContact O-N 2.79Å; N79-L81 VanDerWaalsContact C-N 3.29Å; N79-L81 PolarHBondContact O-N 2.71Å; L81-Y84 HydrophobicContact CD1-CD1 4.48Å; L81-Y84 PolarHBondContact O-N 2.71Å; L81-A85 VanDerWaalsContact O-CB 3.31Å; L81-A85 WeakPolarHBondContact O-CB 3.35Å; L81-A85 PolarHBondContact O-N 3.43Å; L81-W91 HydrophobicContact CD1-CE3 3.81Å; L81-W91 HydrophobicContact CD1-CZ3 4.21Å; L81-W91 HydrophobicContact CD2-CZ3 4.27Å; L81-W95 HydrophobicContact CD1-CH2 4.43Å; L81-W95 HydrophobicContact CD1-CZ3 3.89Å; L81-L555 HydrophobicContact CD2-CD2 4.14Å; L81-L555 HydrophobicContact CD2-CG 4.26Å; L81-I558 HydrophobicContact CB-CG2 4.35Å
82	K	98.8	Very high	98.1	Very high	98 Å²	98	51 Å²	51	43%	0.426	26%	0.255	S	S	.	.	H	α-helix	trans	-62.6	-42.9	174.8	-76.6	172.9	178.2	174.5	0	111.7	V34 Q78 N79 A85 L86	V34-K82 HydrophobicContact CB-CG 4.25Å; V34-K82 HydrophobicContact CG1-CG 4.18Å; V34-K82 HydrophobicContact CG2-CG 4.48Å; Q78-K82 HydrophobicContact CG-CD 4.49Å; Q78-K82 VanDerWaalsContact O-CG 3.32Å; Q78-K82 WeakPolarHBondContact O-CG 3.46Å; Q78-K82 PolarHBondContact O-N 3.07Å; N79-K82 PolarHBondContact O-N 3.48Å; K82-A85 PolarHBondContact O-N 2.9Å; K82-L86 PolarHBondContact O-N 3.03Å
83	E	98.6	Very high	98.2	Very high	124 Å²	124	51.7 Å²	51.7	58%	0.579	26%	0.258	S	S	*	.	H	α-helix	trans	-62.1	-48.3	175.1	-72.2	176.3	-175.3	0	0	111.3	N79 L80 A85 L86	N79-E83 WeakPolarHBondContact O-CG 3.15Å; N79-E83 PolarHBondContact O-N 2.74Å; L80-E83 PolarHBondContact O-N 2.96Å; E83-A85 VanDerWaalsContact C-N 3.28Å; E83-A85 PolarHBondContact O-N 2.95Å; E83-L86 WeakPolarHBondContact O-CB 3.49Å; E83-L86 PolarHBondContact O-N 3.11Å; E83-L86 VanDerWaalsContact O-N 3.15Å
84	Y	98.5	Very high	98.1	Very high	41 Å²	41	52.8 Å²	52.8	16%	0.161	26%	0.264	C	S	.	.	H	α-helix	trans	-56.9	-42.1	174.8	177.4	-97.5	0	0	0	111.9	L80 L81 L86 T87 K88 W91 W95 I558	L80-Y84 WeakPolarHBondContact O-CB 3.41Å; L80-Y84 PolarHBondContact O-N 3.47Å; L81-Y84 HydrophobicContact CD1-CD1 4.48Å; L81-Y84 PolarHBondContact O-N 2.71Å; Y84-L86 PolarHBondContact O-N 3.12Å; Y84-T87 WeakPolarHBondContact O-CB 3.42Å; Y84-T87 PolarHBondContact O-N 2.8Å; Y84-T87 PolarHBondContact O-OG1 3.24Å; Y84-K88 HydrophobicContact CE1-CG 3.9Å; Y84-K88 HydrophobicContact CE2-CG 4.37Å; Y84-K88 VanDerWaalsContact OH-CE 3.3Å; Y84-K88 WeakPolarHBondContact OH-CE 3.43Å; Y84-W91 HydrophobicContact CD1-CB 4.21Å; Y84-W91 HydrophobicContact CE1-CB 4.27Å; Y84-W91 WeakPolarHBondContact CE1-O 3.49Å; Y84-W95 AromaticContact CD1-CH2 3.79Å; Y84-W95 HydrophobicContact CD1-CH2 3.79Å; Y84-W95 HydrophobicContact CD1-CZ3 4.16Å; Y84-W95 AromaticContact CE1-CH2 3.59Å; Y84-W95 HydrophobicContact CE1-CH2 3.59Å; Y84-W95 AromaticContact CE1-CZ2 3.99Å; Y84-W95 HydrophobicContact CE1-CZ2 3.99Å; Y84-W95 AromaticContact CE1-CZ3 3.9Å; Y84-W95 HydrophobicContact CE1-CZ3 3.9Å; Y84-W95 HydrophobicContact CE2-CH2 4.41Å; Y84-W95 HydrophobicContact CE2-CZ2 4.27Å; Y84-W95 HydrophobicContact CG-CH2 4.3Å; Y84-W95 AromaticContact CZ-CH2 3.91Å; Y84-W95 AromaticContact CZ-CZ2 3.83Å; Y84-I558 HydrophobicContact CD2-CD1 4.28Å; Y84-I558 HydrophobicContact CG-CD1 4.05Å
85	A	98.3	Very high	98.1	Very high	15 Å²	15	54 Å²	54	12%	0.124	27%	0.268	C	S	.	.	H	α-helix	trans	-63.8	-24.7	-179.6	0	0	0	0	0	114	V34 L81 K82 E83 T87 W91	V34-A85 HydrophobicContact CG2-CB 3.59Å; L81-A85 VanDerWaalsContact O-CB 3.31Å; L81-A85 WeakPolarHBondContact O-CB 3.35Å; L81-A85 PolarHBondContact O-N 3.43Å; K82-A85 PolarHBondContact O-N 2.9Å; E83-A85 VanDerWaalsContact C-N 3.28Å; E83-A85 PolarHBondContact O-N 2.95Å; A85-T87 VanDerWaalsContact C-N 3.25Å; A85-T87 PolarHBondContact O-N 3.45Å; A85-W91 HydrophobicContact CB-CB 3.68Å; A85-W91 HydrophobicContact CB-CG 3.84Å
86	L	97.7	Very high	98.1	Very high	135 Å²	135	51.1 Å²	51.1	71%	0.707	26%	0.255	S	S	*	.	H	α-helix	trans	-67.9	-28.2	172.7	-63.4	174.5	0	0	0	112.1	R31 K82 E83 Y84	R31-L86 PolarHBondContact NH1-O 2.91Å; K82-L86 PolarHBondContact O-N 3.03Å; E83-L86 WeakPolarHBondContact O-CB 3.49Å; E83-L86 PolarHBondContact O-N 3.11Å; E83-L86 VanDerWaalsContact O-N 3.15Å; Y84-L86 PolarHBondContact O-N 3.12Å
87	T	97.2	Very high	98.1	Very high	102 Å²	102	48.2 Å²	48.2	63%	0.626	24%	0.242	S	C	*	.	H	α-helix	trans	-84.2	-11.2	-177.3	75.8	0	0	0	0	114.1	Y84 A85	Y84-T87 WeakPolarHBondContact O-CB 3.42Å; Y84-T87 PolarHBondContact O-N 2.8Å; Y84-T87 PolarHBondContact O-OG1 3.24Å; A85-T87 VanDerWaalsContact C-N 3.25Å; A85-T87 PolarHBondContact O-N 3.45Å
88	K	97.1	Very high	98	Very high	60 Å²	60	49.7 Å²	49.7	26%	0.261	25%	0.25	S	C	.	.			trans	-120	150.2	-175.4	-63.1	-71.4	-176.5	150.7	0	111.6	R31 Y84 N90 E94	R31-K88 PolarHBondContact NH1-O 3.25Å; R31-K88 VanDerWaalsContact NH1-O 3.12Å; Y84-K88 HydrophobicContact CE1-CG 3.9Å; Y84-K88 HydrophobicContact CE2-CG 4.37Å; Y84-K88 VanDerWaalsContact OH-CE 3.3Å; Y84-K88 WeakPolarHBondContact OH-CE 3.43Å; K88-N90 VanDerWaalsContact C-N 3.35Å; K88-E94 IonicContact NZ-OE1 3.75Å; K88-E94 IonicContact NZ-OE2 3.97Å; K88-E94 PolarHBondContact NZ-OE2 3.36Å
89	I	96.9	Very high	97.9	Very high	93 Å²	93	51.9 Å²	51.9	48%	0.477	26%	0.262	S	S	.	.	S	Bend	trans	-67.4	-42.6	169.6	-65.9	172.6	0	0	0	109.7	R31 A492 L493	R31-I89 WeakPolarHBondContact CG-O 3.48Å; I89-A492 HydrophobicContact CG2-CB 3.53Å; I89-L493 HydrophobicContact CB-CD1 4.03Å; I89-L493 HydrophobicContact CD1-CD1 4.18Å; I89-L493 HydrophobicContact CG2-CD1 3.84Å; I89-L493 HydrophobicContact CG2-CG 3.99Å
90	N	98.2	Very high	97.7	Very high	13 Å²	13	50.2 Å²	50.2	7%	0.07	25%	0.252	C	S	.	.	S	Bend	trans	-136.8	120.4	172.7	-169.3	-58	0	0	0	108.3	K88 V92 T93 A492 L493 A494	K88-N90 VanDerWaalsContact C-N 3.35Å; N90-V92 PolarHBondContact OD1-N 2.99Å; N90-T93 PolarHBondContact ND2-OG1 2.83Å; N90-T93 PolarHBondContact OD1-N 3.23Å; N90-T93 PolarHBondContact OD1-OG1 2.96Å; N90-A492 WeakPolarHBondContact CB-O 3.37Å; N90-A492 PolarHBondContact ND2-O 2.67Å; N90-L493 HydrophobicContact CB-CB 4.14Å; N90-A494 WeakPolarHBondContact ND2-CA 3.37Å; N90-A494 WeakPolarHBondContact ND2-CB 3.34Å
91	W	98.2	Very high	97.6	Very high	7 Å²	7	49.7 Å²	49.7	3%	0.027	25%	0.248	C	C	.	.	S	Bend	trans	-78.9	-17.3	-169.7	60.2	-99.2	0	0	0	113.7	L32 P33 V34 L81 Y84 A85 N550	L32-W91 HydrophobicContact CD2-CZ2 3.95Å; L32-W91 HydrophobicContact CG-CZ2 4.48Å; L32-W91 PolarHBondContact O-NE1 3.43Å; L32-W91 VanDerWaalsContact O-NE1 3.07Å; P33-W91 PolarHBondContact O-NE1 3.1Å; V34-W91 HydrophobicContact CG2-CD2 4.33Å; V34-W91 HydrophobicContact CG2-CG 4.36Å; L81-W91 HydrophobicContact CD1-CE3 3.81Å; L81-W91 HydrophobicContact CD1-CZ3 4.21Å; L81-W91 HydrophobicContact CD2-CZ3 4.27Å; Y84-W91 HydrophobicContact CD1-CB 4.21Å; Y84-W91 HydrophobicContact CE1-CB 4.27Å; Y84-W91 WeakPolarHBondContact CE1-O 3.49Å; A85-W91 HydrophobicContact CB-CB 3.68Å; A85-W91 HydrophobicContact CB-CG 3.84Å; W91-N550 HydrophobicContact CH2-CB 4.29Å; W91-N550 WeakPolarHBondContact CH2-O 3.29Å; W91-N550 WeakPolarHBondContact CZ3-O 3.23Å
92	V	98.5	Very high	97.6	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.024	25%	0.25	C	C	.	.	S	Bend	trans	-107.2	-22.8	-175.1	79.6	0	0	0	0	114	L32 N90 E94 W95 W96 N550 L553	L32-V92 HydrophobicContact CD2-CB 4.47Å; L32-V92 HydrophobicContact CD2-CG1 3.63Å; N90-V92 PolarHBondContact OD1-N 2.99Å; V92-E94 VanDerWaalsContact C-N 3.35Å; V92-E94 PolarHBondContact O-N 3.08Å; V92-W95 PolarHBondContact O-N 3.4Å; V92-W95 VanDerWaalsContact O-N 3.1Å; V92-W96 HydrophobicContact CG2-CB 4.38Å; V92-W96 WeakPolarHBondContact O-CB 3.49Å; V92-W96 PolarHBondContact O-N 3.23Å; V92-N550 HydrophobicContact CG1-CB 4.25Å; V92-N550 HydrophobicContact CG2-CB 3.92Å; V92-L553 HydrophobicContact CG2-CD2 4.16Å
93	T	97.7	Very high	97.6	Very high	22 Å²	22	49.4 Å²	49.4	14%	0.135	25%	0.25	C	S	.	.	H	α-helix	trans	-57.7	-42.4	-163.9	-63.6	0	0	0	0	113.8	N90 L97 L493 R495	N90-T93 PolarHBondContact ND2-OG1 2.83Å; N90-T93 PolarHBondContact OD1-N 3.23Å; N90-T93 PolarHBondContact OD1-OG1 2.96Å; T93-L97 VanDerWaalsContact O-CB 3.26Å; T93-L97 WeakPolarHBondContact O-CB 3.5Å; T93-L97 PolarHBondContact O-N 3.42Å; T93-L493 PolarHBondContact OG1-O 3.3Å; T93-R495 HydrophobicContact CG2-CG 4.22Å
94	E	96.8	Very high	97.5	Very high	110 Å²	110	47 Å²	47	51%	0.514	24%	0.241	S	C	.	.	H	α-helix	trans	-65.1	-47.2	178.5	-69.1	173.5	171.9	0	0	111.2	K88 V92 L97 D98	K88-E94 IonicContact NZ-OE1 3.75Å; K88-E94 IonicContact NZ-OE2 3.97Å; K88-E94 PolarHBondContact NZ-OE2 3.36Å; V92-E94 VanDerWaalsContact C-N 3.35Å; V92-E94 PolarHBondContact O-N 3.08Å; E94-L97 PolarHBondContact O-N 2.92Å; E94-D98 PolarHBondContact O-N 3.47Å
95	W	97.9	Very high	97.4	Very high	26 Å²	26	48.6 Å²	48.6	10%	0.098	26%	0.257	C	S	.	.	H	α-helix	trans	-65.2	-40.2	177.5	-69.4	-27.9	0	0	0	113.1	L81 Y84 V92 D98 D99 L553 Q557 I558	L81-W95 HydrophobicContact CD1-CH2 4.43Å; L81-W95 HydrophobicContact CD1-CZ3 3.89Å; Y84-W95 AromaticContact CD1-CH2 3.79Å; Y84-W95 HydrophobicContact CD1-CH2 3.79Å; Y84-W95 HydrophobicContact CD1-CZ3 4.16Å; Y84-W95 AromaticContact CE1-CH2 3.59Å; Y84-W95 HydrophobicContact CE1-CH2 3.59Å; Y84-W95 AromaticContact CE1-CZ2 3.99Å; Y84-W95 HydrophobicContact CE1-CZ2 3.99Å; Y84-W95 AromaticContact CE1-CZ3 3.9Å; Y84-W95 HydrophobicContact CE1-CZ3 3.9Å; Y84-W95 HydrophobicContact CE2-CH2 4.41Å; Y84-W95 HydrophobicContact CE2-CZ2 4.27Å; Y84-W95 HydrophobicContact CG-CH2 4.3Å; Y84-W95 AromaticContact CZ-CH2 3.91Å; Y84-W95 AromaticContact CZ-CZ2 3.83Å; V92-W95 PolarHBondContact O-N 3.4Å; V92-W95 VanDerWaalsContact O-N 3.1Å; W95-D98 PolarHBondContact O-N 3.31Å; W95-D99 WeakPolarHBondContact O-CB 3.37Å; W95-D99 PolarHBondContact O-N 3.41Å; W95-L553 HydrophobicContact CB-CD2 4.38Å; W95-Q557 HydrophobicContact CB-CG 4.07Å; W95-Q557 HydrophobicContact CD2-CB 3.46Å; W95-Q557 VanDerWaalsContact CD2-CB 3.46Å; W95-Q557 HydrophobicContact CD2-CG 3.97Å; W95-Q557 HydrophobicContact CE3-CB 3.71Å; W95-Q557 HydrophobicContact CE3-CG 4.33Å; W95-Q557 HydrophobicContact CG-CB 3.87Å; W95-Q557 HydrophobicContact CG-CG 3.86Å; W95-Q557 HydrophobicContact CH2-CB 4.19Å; W95-Q557 HydrophobicContact CZ2-CB 3.97Å; W95-Q557 HydrophobicContact CZ3-CB 4.07Å; W95-I558 HydrophobicContact CH2-CB 4.15Å; W95-I558 HydrophobicContact CH2-CD1 3.99Å
96	W	97.9	Very high	97.3	Very high	5 Å²	5	49.1 Å²	49.1	2%	0.019	26%	0.261	C	S	.	.	H	α-helix	trans	-64.1	-43.1	176.4	176	90.4	0	0	0	111.3	V92 D98 D99 M100 Y101 R495 V496 N550 L553	V92-W96 HydrophobicContact CG2-CB 4.38Å; V92-W96 WeakPolarHBondContact O-CB 3.49Å; V92-W96 PolarHBondContact O-N 3.23Å; W96-D98 VanDerWaalsContact C-N 3.35Å; W96-D99 PolarHBondContact O-N 2.99Å; W96-M100 HydrophobicContact CD2-CG 4.07Å; W96-M100 HydrophobicContact CG-CG 4.21Å; W96-M100 HydrophobicContact CZ2-CB 4.31Å; W96-M100 HydrophobicContact CZ2-CG 3.98Å; W96-M100 VanDerWaalsContact O-CB 3.29Å; W96-M100 WeakPolarHBondContact O-CB 3.48Å; W96-M100 WeakPolarHBondContact O-CG 3.34Å; W96-M100 PolarHBondContact O-N 3.08Å; W96-Y101 HydrophobicContact CH2-CD2 4.29Å; W96-Y101 AromaticContact CH2-CE2 3.4Å; W96-Y101 HydrophobicContact CH2-CE2 3.4Å; W96-Y101 VanDerWaalsContact CH2-CE2 3.4Å; W96-Y101 AromaticContact CZ2-CE2 3.97Å; W96-Y101 HydrophobicContact CZ2-CE2 3.97Å; W96-Y101 HydrophobicContact CZ3-CD2 4.25Å; W96-Y101 AromaticContact CZ3-CE2 3.78Å; W96-Y101 HydrophobicContact CZ3-CE2 3.78Å; W96-R495 HydrophobicContact CD2-CB 4.29Å; W96-R495 HydrophobicContact CE3-CB 3.79Å; W96-R495 HydrophobicContact CE3-CG 3.82Å; W96-R495 HydrophobicContact CH2-CB 3.78Å; W96-R495 HydrophobicContact CH2-CG 4.21Å; W96-R495 HydrophobicContact CZ2-CB 4.34Å; W96-R495 HydrophobicContact CZ3-CB 3.51Å; W96-R495 HydrophobicContact CZ3-CG 3.51Å; W96-V496 HydrophobicContact CH2-CG2 3.85Å; W96-V496 HydrophobicContact CZ2-CG2 3.16Å; W96-N550 VanDerWaalsContact CD1-OD1 3.25Å; W96-L553 HydrophobicContact CB-CD2 4.09Å
97	L	97.9	Very high	97.3	Very high	29 Å²	29	43.4 Å²	43.4	15%	0.152	23%	0.232	C	C	.	.	H	α-helix	trans	-65.5	-41	179	-173.6	66.7	0	0	0	111.4	T93 E94 Y101 L102 L188 S371	T93-L97 VanDerWaalsContact O-CB 3.26Å; T93-L97 WeakPolarHBondContact O-CB 3.5Å; T93-L97 PolarHBondContact O-N 3.42Å; E94-L97 PolarHBondContact O-N 2.92Å; L97-Y101 HydrophobicContact CD1-CD2 3.99Å; L97-Y101 PolarHBondContact O-N 3.15Å; L97-L102 HydrophobicContact CD2-CD1 3.94Å; L97-L102 HydrophobicContact CG-CD1 3.9Å; L97-L102 HydrophobicContact CG-CG 4.11Å; L97-L102 PolarHBondContact O-N 3.47Å; L97-L188 HydrophobicContact CD2-CD2 3.96Å; L97-S371 VanDerWaalsContact CD1-O 3.26Å; L97-S371 WeakPolarHBondContact CD1-O 3.49Å
98	D	98	Very high	97.3	Very high	33 Å²	33	38.6 Å²	38.6	18%	0.176	20%	0.203	C	C	.	.	I	π-helix	trans	-60.4	-52.8	173.5	-80.4	-5.4	0	0	0	111	E94 W95 W96 L102 L103 K185	E94-D98 PolarHBondContact O-N 3.47Å; W95-D98 PolarHBondContact O-N 3.31Å; W96-D98 VanDerWaalsContact C-N 3.35Å; D98-L102 PolarHBondContact O-N 3.38Å; D98-L103 HydrophobicContact CB-CD1 3.99Å; D98-L103 HydrophobicContact CB-CG 4.23Å; D98-L103 VanDerWaalsContact O-CB 3.26Å; D98-L103 WeakPolarHBondContact O-CB 3.33Å; D98-L103 WeakPolarHBondContact O-CG 3.41Å; D98-L103 PolarHBondContact O-N 3.31Å; D98-K185 HydrophobicContact CB-CD 4.47Å; D98-K185 WeakPolarHBondContact OD1-CD 3.28Å; D98-K185 IonicContact OD1-NZ 3.47Å; D98-K185 PolarHBondContact OD1-NZ 2.95Å; D98-K185 IonicContact OD2-NZ 3.31Å; D98-K185 PolarHBondContact OD2-NZ 3.03Å
99	D	95.5	Very high	97.3	Very high	52 Å²	52	35.7 Å²	35.7	28%	0.278	19%	0.19	S	C	.	.	I	π-helix	trans	-66.3	-42.2	-175.3	-161.7	65.2	0	0	0	113	W95 W96 L553 R556	W95-D99 WeakPolarHBondContact O-CB 3.37Å; W95-D99 PolarHBondContact O-N 3.41Å; W96-D99 PolarHBondContact O-N 2.99Å; D99-L553 HydrophobicContact CB-CD1 4.13Å; D99-L553 HydrophobicContact CB-CD2 4.35Å; D99-R556 IonicContact OD1-CZ 2.96Å; D99-R556 IonicContact OD1-NH2 3.28Å; D99-R556 PolarHBondContact OD1-NH2 2.9Å; D99-R556 IonicContact OD2-NH2 2.76Å
100	M	94.8	Very high	97.3	Very high	55 Å²	55	31.3 Å²	31.3	27%	0.271	17%	0.167	S	C	.	.	I	π-helix	trans	-82.7	-28.9	-176	-65.3	-65.2	124.9	0	0	113.6	W96	W96-M100 HydrophobicContact CD2-CG 4.07Å; W96-M100 HydrophobicContact CG-CG 4.21Å; W96-M100 HydrophobicContact CZ2-CB 4.31Å; W96-M100 HydrophobicContact CZ2-CG 3.98Å; W96-M100 VanDerWaalsContact O-CB 3.29Å; W96-M100 WeakPolarHBondContact O-CB 3.48Å; W96-M100 WeakPolarHBondContact O-CG 3.34Å; W96-M100 PolarHBondContact O-N 3.08Å
101	Y	97.3	Very high	97.2	Very high	19 Å²	19	33.2 Å²	33.2	8%	0.075	18%	0.178	C	C	.	.	I	π-helix	trans	-131.3	-60.4	-172.3	-60.2	-88.9	0	0	0	113.4	W96 L97 L103 N104 R179 H370	W96-Y101 HydrophobicContact CH2-CD2 4.29Å; W96-Y101 AromaticContact CH2-CE2 3.4Å; W96-Y101 HydrophobicContact CH2-CE2 3.4Å; W96-Y101 VanDerWaalsContact CH2-CE2 3.4Å; W96-Y101 AromaticContact CZ2-CE2 3.97Å; W96-Y101 HydrophobicContact CZ2-CE2 3.97Å; W96-Y101 HydrophobicContact CZ3-CD2 4.25Å; W96-Y101 AromaticContact CZ3-CE2 3.78Å; W96-Y101 HydrophobicContact CZ3-CE2 3.78Å; L97-Y101 HydrophobicContact CD1-CD2 3.99Å; L97-Y101 PolarHBondContact O-N 3.15Å; Y101-L103 PolarHBondContact O-N 3.05Å; Y101-N104 WeakPolarHBondContact O-CB 3.39Å; Y101-N104 PolarHBondContact O-N 2.77Å; Y101-N104 VanDerWaalsContact O-N 3.16Å; Y101-R179 PolarHBondContact O-NH2 2.88Å; Y101-H370 HydrophobicContact CE1-CB 3.84Å; Y101-H370 AromaticContact CE1-CD2 3.99Å; Y101-H370 AromaticContact CE1-CG 3.86Å; Y101-H370 PolarHBondContact OH-NE2 2.87Å
102	L	98.6	Very high	97.1	Very high	9 Å²	9	33.5 Å²	33.5	5%	0.047	18%	0.181	C	C	.	.	I	π-helix	trans	-76.9	-23.4	-160.7	-53.6	178.7	0	0	0	114.2	L97 D98 R179 K185 D186 L188	L97-L102 HydrophobicContact CD2-CD1 3.94Å; L97-L102 HydrophobicContact CG-CD1 3.9Å; L97-L102 HydrophobicContact CG-CG 4.11Å; L97-L102 PolarHBondContact O-N 3.47Å; D98-L102 PolarHBondContact O-N 3.38Å; L102-R179 HydrophobicContact CD2-CG 4.35Å; L102-K185 HydrophobicContact CB-CG 4.02Å; L102-K185 WeakPolarHBondContact O-CA 3.34Å; L102-D186 HydrophobicContact CB-CB 4.26Å; L102-D186 HydrophobicContact CD2-CB 4.05Å; L102-D186 PolarHBondContact O-N 3.39Å; L102-L188 HydrophobicContact CD1-CB 4.21Å; L102-L188 HydrophobicContact CD2-CB 4.09Å
103	L	98	Very high	97	Very high	84 Å²	84	33.3 Å²	33.3	44%	0.44	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-7.9	172.8	-69.9	168.5	0	0	0	113.1	D98 Y101 P105 K185	D98-L103 HydrophobicContact CB-CD1 3.99Å; D98-L103 HydrophobicContact CB-CG 4.23Å; D98-L103 VanDerWaalsContact O-CB 3.26Å; D98-L103 WeakPolarHBondContact O-CB 3.33Å; D98-L103 WeakPolarHBondContact O-CG 3.41Å; D98-L103 PolarHBondContact O-N 3.31Å; Y101-L103 PolarHBondContact O-N 3.05Å; L103-P105 VanDerWaalsContact O-CD 3.29Å; L103-P105 WeakPolarHBondContact O-CD 3.48Å; L103-K185 HydrophobicContact CD2-CB 3.83Å; L103-K185 HydrophobicContact CD2-CD 3.75Å; L103-K185 HydrophobicContact CD2-CG 3.63Å; L103-K185 HydrophobicContact CG-CD 4.08Å; L103-K185 HydrophobicContact CG-CG 4.05Å
104	N	96.4	Very high	97	Very high	72 Å²	72	32.5 Å²	32.5	39%	0.385	18%	0.175	S	C	.	.			trans	-79.5	115.4	179.3	-172.8	-12.6	0	0	0	110.2	Y101 A106	Y101-N104 WeakPolarHBondContact O-CB 3.39Å; Y101-N104 PolarHBondContact O-N 2.77Å; Y101-N104 VanDerWaalsContact O-N 3.16Å; N104-A106 PolarHBondContact O-N 2.99Å; N104-A106 WeakPolarHBondContact OD1-CB 3.33Å; N104-A106 PolarHBondContact OD1-N 3.44Å
105	P	96.4	Very high	97.1	Very high	75 Å²	75	27.2 Å²	27.2	49%	0.487	15%	0.15	S	C	.	.			trans	-80.9	-2.6	-177.1	35.2	-37.2	0	0	0	113.4	L103 P261 R262	L103-P105 VanDerWaalsContact O-CD 3.29Å; L103-P105 WeakPolarHBondContact O-CD 3.48Å; P105-P261 CarbonylContact O-C 3.58Å; P105-P261 WeakPolarHBondContact O-CA 3.5Å; P105-R262 PolarHBondContact O-N 2.92Å
106	A	96.3	Very high	97.1	Very high	27 Å²	27	26.1 Å²	26.1	22%	0.223	15%	0.146	C	C	.	.	S	Bend	trans	-60.6	146.4	-179.3	0	0	0	0	0	111.9	N104 L108 N111 R262	N104-A106 PolarHBondContact O-N 2.99Å; N104-A106 WeakPolarHBondContact OD1-CB 3.33Å; N104-A106 PolarHBondContact OD1-N 3.44Å; A106-L108 PolarHBondContact O-N 3.49Å; A106-N111 HydrophobicContact CB-CB 4.33Å; A106-R262 WeakPolarHBondContact O-CD 3.43Å; A106-R262 WeakPolarHBondContact O-CG 3.34Å
107	P	97.3	Very high	97	Very high	14 Å²	14	26 Å²	26	9%	0.091	15%	0.146	C	C	.	.			trans	-49.8	139	169.5	-30.8	38.8	0	0	0	112.4	P109 N111 A259 P261 I434	P107-P109 VanDerWaalsContact C-CD 3.47Å; P107-N111 WeakPolarHBondContact O-CB 3.35Å; P107-N111 PolarHBondContact O-ND2 3.06Å; P107-A259 WeakPolarHBondContact CB-O 3.4Å; P107-P261 HydrophobicContact CG-CG 4.08Å; P107-I434 HydrophobicContact CB-CD1 3.88Å; P107-I434 HydrophobicContact CG-CD1 3.69Å
108	L	98.2	Very high	96.8	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-64	-42.4	-179.8	-61.5	-175.9	0	0	0	114.7	A106 I110 N111 S112 S113 R262 Y350 D351 E369	A106-L108 PolarHBondContact O-N 3.49Å; L108-I110 PolarHBondContact O-N 2.95Å; L108-N111 PolarHBondContact O-N 3.42Å; L108-S112 CarbonylContact O-C 3.59Å; L108-S112 PolarHBondContact O-N 2.95Å; L108-S113 WeakPolarHBondContact O-CB 3.48Å; L108-S113 PolarHBondContact O-N 2.86Å; L108-S113 PolarHBondContact O-OG 3.23Å; L108-R262 VanDerWaalsContact CD1-NH1 3.26Å; L108-Y350 WeakPolarHBondContact CD1-O 3.46Å; L108-D351 WeakPolarHBondContact CD1-OD1 3.4Å; L108-E369 HydrophobicContact CD1-CG 4.42Å
109	P	97.2	Very high	96.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-55.3	135.6	180	-21.6	32	0	0	0	110.3	P107 N111 A259 Y350 I431	P107-P109 VanDerWaalsContact C-CD 3.47Å; P109-N111 PolarHBondContact O-N 3.28Å; P109-N111 PolarHBondContact O-ND2 3.45Å; P109-A259 HydrophobicContact CG-CB 3.73Å; P109-Y350 HydrophobicContact CB-CD1 4.23Å; P109-Y350 HydrophobicContact CB-CE1 3.82Å; P109-Y350 HydrophobicContact CB-CE2 4.25Å; P109-Y350 HydrophobicContact CG-CD1 3.87Å; P109-Y350 HydrophobicContact CG-CD2 3.54Å; P109-Y350 HydrophobicContact CG-CE1 3.77Å; P109-Y350 HydrophobicContact CG-CE2 3.46Å; P109-Y350 VanDerWaalsContact CG-CE2 3.46Å; P109-Y350 HydrophobicContact CG-CG 3.74Å; P109-I431 HydrophobicContact CB-CD1 3.55Å; P109-I431 HydrophobicContact CG-CD1 3.81Å
110	I	96.3	Very high	95.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	69.6	-44.3	-179.1	-56.2	157.6	0	0	0	114	L108 L336 H337 I434 L438 G599 W624	L108-I110 PolarHBondContact O-N 2.95Å; I110-L336 HydrophobicContact CG1-CB 4.03Å; I110-H337 HydrophobicContact CD1-CB 4.14Å; I110-H337 HydrophobicContact CG1-CB 4.4Å; I110-I434 HydrophobicContact CB-CG2 4.48Å; I110-I434 HydrophobicContact CD1-CB 4.4Å; I110-I434 HydrophobicContact CD1-CG2 3.56Å; I110-L438 HydrophobicContact CD1-CB 4.44Å; I110-L438 HydrophobicContact CD1-CD2 3.98Å; I110-L438 HydrophobicContact CG1-CD2 3.99Å; I110-L438 HydrophobicContact CG2-CD1 3.94Å; I110-L438 HydrophobicContact CG2-CD2 3.86Å; I110-L438 HydrophobicContact CG2-CG 4.39Å; I110-G599 PolarHBondContact O-N 3.23Å; I110-W624 HydrophobicContact CB-CH2 4.29Å; I110-W624 HydrophobicContact CG2-CH2 3.43Å; I110-W624 VanDerWaalsContact CG2-CH2 3.43Å; I110-W624 HydrophobicContact CG2-CZ2 4.11Å; I110-W624 HydrophobicContact CG2-CZ3 4.2Å
111	N	96.6	Very high	95.4	Very high	53 Å²	53	25.5 Å²	25.5	28%	0.283	14%	0.139	S	C	.	.	H	α-helix	trans	-81.5	-38.9	-173.7	-58	-62.7	0	0	0	113.9	A106 P107 L108 P109 W624	A106-N111 HydrophobicContact CB-CB 4.33Å; P107-N111 WeakPolarHBondContact O-CB 3.35Å; P107-N111 PolarHBondContact O-ND2 3.06Å; L108-N111 PolarHBondContact O-N 3.42Å; P109-N111 PolarHBondContact O-N 3.28Å; P109-N111 PolarHBondContact O-ND2 3.45Å; N111-W624 WeakPolarHBondContact OD1-CZ2 3.35Å
112	S	96	Very high	94.7	Very high	14 Å²	14	28.2 Å²	28.2	10%	0.098	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.8	-4.4	-174.3	-152.7	0	0	0	0	113.2	L108 P114 R179 H370	L108-S112 CarbonylContact O-C 3.59Å; L108-S112 PolarHBondContact O-N 2.95Å; S112-P114 WeakPolarHBondContact O-CD 3.22Å; S112-R179 PolarHBondContact OG-NH1 3.38Å; S112-H370 WeakPolarHBondContact O-CB 3.33Å; S112-H370 PolarHBondContact O-N 3.46Å
113	S	97.3	Very high	94.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-118.4	84.9	178.7	-60.8	0	0	0	0	112	L108 N367 Y368	L108-S113 WeakPolarHBondContact O-CB 3.48Å; L108-S113 PolarHBondContact O-N 2.86Å; L108-S113 PolarHBondContact O-OG 3.23Å; S113-N367 WeakPolarHBondContact CB-OD1 3.28Å; S113-N367 PolarHBondContact O-ND2 2.89Å; S113-Y368 WeakPolarHBondContact CA-O 3.26Å
114	P	97.7	Very high	93.4	Very high	4 Å²	4	26.2 Å²	26.2	3%	0.026	15%	0.149	C	C	.	.			trans	-61.3	150	176.5	-21.1	32.4	0	0	0	112.6	S112 N367 Y368 H370 M596 C597	S112-P114 WeakPolarHBondContact O-CD 3.22Å; P114-N367 WeakPolarHBondContact O-CA 3.37Å; P114-Y368 HydrophobicContact CB-CD1 4.25Å; P114-Y368 HydrophobicContact CB-CE1 3.7Å; P114-Y368 WeakPolarHBondContact CD-O 3.35Å; P114-Y368 HydrophobicContact CG-CE1 3.85Å; P114-Y368 PolarHBondContact O-N 3.28Å; P114-H370 HydrophobicContact CG-CB 4.17Å; P114-M596 HydrophobicContact CB-CG 4.26Å; P114-M596 HydrophobicContact CB-SD 3.75Å; P114-C597 CarbonylContact C-O 3.54Å; P114-C597 WeakPolarHBondContact CA-O 3.4Å; P114-C597 WeakPolarHBondContact CB-O 3.31Å
115	G	97.7	Very high	92.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	142.3	171.6	0	0	0	0	0	111.3	L366 M596 C597	G115-L366 CarbonylContact C-O 3.59Å; G115-L366 VanDerWaalsContact CA-O 3.26Å; G115-L366 WeakPolarHBondContact CA-O 3.41Å; G115-M596 CarbonylContact O-C 3.58Å; G115-M596 WeakPolarHBondContact O-CA 3.35Å; G115-C597 PolarHBondContact N-O 2.98Å; G115-C597 PolarHBondContact O-N 3.39Å; G115-C597 PolarHBondContact O-SG 2.59Å
116	M	97.1	Very high	92.5	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	112.5	171.1	-173.6	177.3	176	0	0	110.2	F118 L335 G365 L366 V379 I382 M592 A594 F595 M596	M116-F118 HydrophobicContact CB-CE1 4.24Å; M116-F118 HydrophobicContact CG-CD1 4.18Å; M116-F118 HydrophobicContact CG-CE1 4.04Å; M116-F118 HydrophobicContact SD-CE1 4.12Å; M116-L335 WeakPolarHBondContact O-CD1 3.33Å; M116-G365 CarbonylContact O-C 3.57Å; M116-G365 WeakPolarHBondContact O-CA 3.45Å; M116-L366 HydrophobicContact CB-CB 4.26Å; M116-L366 PolarHBondContact N-O 3.3Å; M116-L366 PolarHBondContact O-N 2.79Å; M116-V379 HydrophobicContact CE-CG2 4.03Å; M116-V379 HydrophobicContact SD-CG2 4.17Å; M116-I382 HydrophobicContact CE-CB 4.31Å; M116-I382 HydrophobicContact CE-CG2 4.12Å; M116-I382 HydrophobicContact SD-CB 4.28Å; M116-I382 HydrophobicContact SD-CG1 3.93Å; M116-I382 HydrophobicContact SD-CG2 4.37Å; M116-M592 HydrophobicContact CE-CE 4.27Å; M116-A594 HydrophobicContact CE-CB 3.92Å; M116-F595 WeakPolarHBondContact CA-O 3.34Å; M116-M596 HydrophobicContact CB-CE 3.84Å; M116-M596 HydrophobicContact CB-SD 3.86Å; M116-M596 HydrophobicContact CG-CE 4.1Å; M116-M596 HydrophobicContact SD-CE 4Å
117	V	96.4	Very high	92.3	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.018	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	124.9	174.8	-179.9	0	0	0	0	108.7	L331 A332 L335 A594 F595	V117-L331 HydrophobicContact CG1-CB 4.18Å; V117-L331 HydrophobicContact CG1-CD1 4.17Å; V117-L331 HydrophobicContact CG2-CB 4.22Å; V117-A332 HydrophobicContact CG2-CB 4.28Å; V117-L335 VanDerWaalsContact CA-CD1 3.5Å; V117-L335 HydrophobicContact CB-CD1 4.11Å; V117-L335 HydrophobicContact CG2-CD1 3.57Å; V117-L335 HydrophobicContact CG2-CG 4.48Å; V117-A594 WeakPolarHBondContact O-CA 3.25Å; V117-A594 WeakPolarHBondContact O-CB 3.21Å; V117-F595 HydrophobicContact CB-CD1 4.32Å; V117-F595 HydrophobicContact CB-CD2 4.27Å; V117-F595 HydrophobicContact CB-CE1 3.93Å; V117-F595 HydrophobicContact CB-CE2 3.9Å; V117-F595 HydrophobicContact CB-CG 4.49Å; V117-F595 HydrophobicContact CB-CZ 3.72Å; V117-F595 HydrophobicContact CG1-CE1 4Å; V117-F595 HydrophobicContact CG1-CZ 3.99Å; V117-F595 HydrophobicContact CG2-CD2 4.21Å; V117-F595 HydrophobicContact CG2-CE1 4.31Å; V117-F595 HydrophobicContact CG2-CE2 3.52Å; V117-F595 HydrophobicContact CG2-CZ 3.57Å; V117-F595 PolarHBondContact N-O 3.21Å; V117-F595 PolarHBondContact O-N 3.33Å
118	F	94.8	Very high	92	Very high	4 Å²	4	28 Å²	28	2%	0.018	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-87.1	169.3	174.7	-62.3	-7.3	0	0	0	110.4	M116 R120 F356 C364 L366 I382 L386	M116-F118 HydrophobicContact CB-CE1 4.24Å; M116-F118 HydrophobicContact CG-CD1 4.18Å; M116-F118 HydrophobicContact CG-CE1 4.04Å; M116-F118 HydrophobicContact SD-CE1 4.12Å; F118-R120 PolarHBondContact O-N 2.93Å; F118-F356 HydrophobicContact CE2-CD1 4.48Å; F118-F356 HydrophobicContact CZ-CD1 4.45Å; F118-C364 HydrophobicContact CB-CB 4.45Å; F118-C364 WeakPolarHBondContact CB-O 3.39Å; F118-C364 HydrophobicContact CD2-CB 4.3Å; F118-C364 PolarHBondContact N-O 2.82Å; F118-L366 HydrophobicContact CE1-CB 3.99Å; F118-L366 HydrophobicContact CZ-CB 3.84Å; F118-I382 HydrophobicContact CD1-CG2 3.72Å; F118-I382 HydrophobicContact CE1-CB 4.22Å; F118-I382 HydrophobicContact CE1-CD1 3.99Å; F118-I382 HydrophobicContact CE1-CG1 3.78Å; F118-I382 HydrophobicContact CE1-CG2 3.35Å; F118-I382 HydrophobicContact CE2-CD1 4.41Å; F118-I382 HydrophobicContact CE2-CG2 4.21Å; F118-I382 HydrophobicContact CG-CG2 4.34Å; F118-I382 HydrophobicContact CZ-CB 4.39Å; F118-I382 HydrophobicContact CZ-CD1 3.48Å; F118-I382 VanDerWaalsContact CZ-CD1 3.48Å; F118-I382 HydrophobicContact CZ-CG1 3.83Å; F118-I382 HydrophobicContact CZ-CG2 3.62Å; F118-L386 HydrophobicContact CB-CD1 4.43Å; F118-L386 HydrophobicContact CD2-CD1 4.48Å; F118-L386 HydrophobicContact CD2-CD2 4.44Å; F118-L386 HydrophobicContact CG-CD1 4.33Å
119	P	90.2	Very high	91.7	Very high	34 Å²	34	28.3 Å²	28.3	22%	0.221	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-53	140.9	170.3	-26.8	36.9	0	0	0	111	H121 M592 D593	P119-H121 PolarHBondContact O-CE1 3.22Å; P119-H121 PolarHBondContact O-ND1 3.21Å; P119-M592 HydrophobicContact CG-CB 4.16Å; P119-D593 WeakPolarHBondContact CA-O 3.27Å
120	R	83.4	Confident	91.7	Very high	84 Å²	84	28.7 Å²	28.7	32%	0.317	15%	0.149	S	C	.	.	P	Polyproline II helix	trans	-64.2	142.6	-176	-64.1	-177.1	-176	-142	2.4	111.1	F118 R326 D328 L331	F118-R120 PolarHBondContact O-N 2.93Å; R120-R326 PolarHBondContact NH1-O 2.82Å; R120-R326 PolarHBondContact NH2-O 2.95Å; R120-D328 IonicContact CZ-OD1 3.26Å; R120-D328 IonicContact NE-OD1 2.63Å; R120-D328 IonicContact NH2-OD1 2.83Å; R120-D328 PolarHBondContact NH2-OD1 3.43Å; R120-L331 HydrophobicContact CG-CD1 4.29Å
121	H	84.3	Confident	91.5	Very high	37 Å²	37	31.2 Å²	31.2	17%	0.171	16%	0.159	C	C	.	.			trans	-118.6	163.2	171.4	-65.8	78.1	0	0	0	109.2	P119 F123 F132 G362	P119-H121 PolarHBondContact O-CE1 3.22Å; P119-H121 PolarHBondContact O-ND1 3.21Å; H121-F123 HydrophobicContact CB-CE1 3.98Å; H121-F123 HydrophobicContact CB-CE2 4.48Å; H121-F123 HydrophobicContact CB-CZ 3.86Å; H121-F132 AromaticContact CD2-CE2 3.51Å; H121-F132 AromaticContact CE1-CE2 3.73Å; H121-F132 AromaticContact CE1-CZ 3.75Å; H121-F132 AromaticContact NE2-CE2 3.26Å; H121-F132 VanDerWaalsContact NE2-CE2 3.26Å; H121-F132 WeakPolarHBondContact NE2-CE2 3.34Å; H121-F132 AromaticContact NE2-CZ 3.78Å; H121-G362 PolarHBondContact N-O 3.46Å; H121-G362 VanDerWaalsContact O-CA 3.29Å; H121-G362 WeakPolarHBondContact O-CA 3.42Å
122	S	83.3	Confident	91.3	Very high	76 Å²	76	29.2 Å²	29.2	53%	0.531	15%	0.148	S	C	.	.			trans	-130	119	171.4	-59	0	0	0	0	108
123	F	86.5	Confident	91.3	Very high	16 Å²	16	28.5 Å²	28.5	7%	0.07	14%	0.143	C	C	.	.			trans	-107.3	112.3	178.8	-55.1	-50.8	0	0	0	109.2	H121 S125 Q128 Q129 F132 I358 S359 R360	H121-F123 HydrophobicContact CB-CE1 3.98Å; H121-F123 HydrophobicContact CB-CE2 4.48Å; H121-F123 HydrophobicContact CB-CZ 3.86Å; F123-S125 VanDerWaalsContact C-N 3.3Å; F123-Q128 HydrophobicContact CB-CB 4.33Å; F123-Q128 HydrophobicContact CD1-CB 4.22Å; F123-Q129 HydrophobicContact CB-CB 4.38Å; F123-Q129 HydrophobicContact CD2-CB 3.9Å; F123-Q129 HydrophobicContact CD2-CG 4.02Å; F123-Q129 HydrophobicContact CE2-CB 4.34Å; F123-Q129 HydrophobicContact CE2-CG 4.11Å; F123-Q129 HydrophobicContact CG-CB 4.06Å; F123-F132 HydrophobicContact CE1-CB 3.62Å; F123-F132 HydrophobicContact CE1-CD1 4.2Å; F123-F132 HydrophobicContact CE1-CD2 4.24Å; F123-F132 AromaticContact CE1-CG 3.76Å; F123-F132 HydrophobicContact CE1-CG 3.76Å; F123-F132 HydrophobicContact CZ-CB 3.93Å; F123-F132 AromaticContact CZ-CD1 3.68Å; F123-F132 HydrophobicContact CZ-CD1 3.68Å; F123-F132 HydrophobicContact CZ-CD2 4.39Å; F123-F132 HydrophobicContact CZ-CE1 4.31Å; F123-F132 AromaticContact CZ-CG 3.74Å; F123-F132 HydrophobicContact CZ-CG 3.74Å; F123-I358 HydrophobicContact CE2-CG2 3.86Å; F123-I358 HydrophobicContact CZ-CG2 4.15Å; F123-S359 WeakPolarHBondContact CE2-O 3.46Å; F123-R360 PolarHBondContact O-NH1 3.35Å
124	I	82.4	Confident	91.2	Very high	34 Å²	34	28.5 Å²	28.5	17%	0.174	14%	0.143	C	C	.	.	S	Bend	trans	-78.1	-18.3	178.6	62.3	164.9	0	0	0	112.9	Q128 L304	I124-Q128 VanDerWaalsContact CG1-CD 3.42Å; I124-Q128 HydrophobicContact CG1-CG 4.43Å; I124-L304 HydrophobicContact CB-CB 4.16Å; I124-L304 HydrophobicContact CB-CD1 4.25Å; I124-L304 HydrophobicContact CG2-CD1 3.82Å; I124-L304 PolarHBondContact O-N 3.12Å
125	S	85.2	Confident	90.9	Very high	12 Å²	12	29.9 Å²	29.9	8%	0.084	15%	0.149	C	C	.	.	S	Bend	trans	-141.6	157.4	-179.2	75.7	0	0	0	0	111.9	F123 R127 Q128 Q129 E306 R360	F123-S125 VanDerWaalsContact C-N 3.3Å; S125-R127 PolarHBondContact O-N 3.12Å; S125-R127 PolarHBondContact OG-N 3.03Å; S125-Q128 PolarHBondContact O-N 2.93Å; S125-Q128 VanDerWaalsContact O-N 3.09Å; S125-Q128 PolarHBondContact OG-N 3.45Å; S125-Q129 PolarHBondContact O-N 2.87Å; S125-E306 WeakPolarHBondContact CB-OE1 3.38Å; S125-E306 PolarHBondContact OG-OE1 2.95Å; S125-R360 PolarHBondContact O-NH1 2.9Å
126	A	88.6	Confident	90.7	Very high	42 Å²	42	30 Å²	30	35%	0.347	15%	0.15	S	C	.	.	H	α-helix	trans	-60	-34.8	173	0	0	0	0	0	110.7	Q128 Q129 L130	A126-Q128 VanDerWaalsContact C-N 3.34Å; A126-Q128 PolarHBondContact O-N 3.06Å; A126-Q129 WeakPolarHBondContact O-CB 3.39Å; A126-Q129 PolarHBondContact O-N 2.94Å; A126-L130 WeakPolarHBondContact O-CG 3.2Å; A126-L130 PolarHBondContact O-N 3.2Å
127	R	91.4	Very high	90.6	Very high	126 Å²	126	30 Å²	30	48%	0.475	15%	0.149	S	C	.	.	H	α-helix	trans	-59.8	-40.6	174.3	157.6	168.5	175.2	-167.9	11.6	112.3	S125 L130 R131 Y228 E306	S125-R127 PolarHBondContact O-N 3.12Å; S125-R127 PolarHBondContact OG-N 3.03Å; R127-L130 PolarHBondContact O-N 3.3Å; R127-R131 HydrophobicContact CG-CG 4.34Å; R127-R131 WeakPolarHBondContact O-CB 3.45Å; R127-R131 VanDerWaalsContact O-CG 3.26Å; R127-R131 WeakPolarHBondContact O-CG 3.49Å; R127-R131 PolarHBondContact O-N 3.35Å; R127-Y228 WeakPolarHBondContact CD-OH 3.22Å; R127-Y228 HydrophobicContact CG-CE2 4.31Å; R127-Y228 VanDerWaalsContact CG-OH 3.31Å; R127-Y228 WeakPolarHBondContact CG-OH 3.23Å; R127-E306 VanDerWaalsContact CB-OE1 3.24Å; R127-E306 WeakPolarHBondContact CB-OE1 3.43Å; R127-E306 VanDerWaalsContact CD-OE1 3.25Å; R127-E306 WeakPolarHBondContact CD-OE1 3.46Å; R127-E306 VanDerWaalsContact CD-OE2 3.27Å; R127-E306 WeakPolarHBondContact CD-OE2 3.44Å; R127-E306 WeakPolarHBondContact CG-OE1 3.23Å; R127-E306 IonicContact CZ-OE2 2.78Å; R127-E306 IonicContact NE-OE1 2.62Å; R127-E306 IonicContact NE-OE2 2.71Å; R127-E306 IonicContact NH1-OE2 2.73Å; R127-E306 PolarHBondContact NH1-OE2 3.13Å
128	Q	90.8	Very high	90.3	Very high	45 Å²	45	30 Å²	30	21%	0.21	15%	0.149	C	C	.	.	H	α-helix	trans	-65.1	-41.4	176.4	-75	-169.6	1.7	0	0	112.5	F123 I124 S125 A126 L130 R131 F132	F123-Q128 HydrophobicContact CB-CB 4.33Å; F123-Q128 HydrophobicContact CD1-CB 4.22Å; I124-Q128 VanDerWaalsContact CG1-CD 3.42Å; I124-Q128 HydrophobicContact CG1-CG 4.43Å; S125-Q128 PolarHBondContact O-N 2.93Å; S125-Q128 VanDerWaalsContact O-N 3.09Å; S125-Q128 PolarHBondContact OG-N 3.45Å; A126-Q128 VanDerWaalsContact C-N 3.34Å; A126-Q128 PolarHBondContact O-N 3.06Å; Q128-L130 PolarHBondContact O-N 3.5Å; Q128-R131 PolarHBondContact O-N 2.77Å; Q128-F132 WeakPolarHBondContact O-CB 3.39Å; Q128-F132 PolarHBondContact O-N 2.85Å
129	Q	93.5	Very high	90	Very high	9 Å²	9	29.8 Å²	29.8	4%	0.042	15%	0.149	C	C	.	.	H	α-helix	trans	-57.8	-49.4	174	-175.5	-167.3	14.7	0	0	110.9	F123 S125 A126 R131 F132 A133 I358 R360	F123-Q129 HydrophobicContact CB-CB 4.38Å; F123-Q129 HydrophobicContact CD2-CB 3.9Å; F123-Q129 HydrophobicContact CD2-CG 4.02Å; F123-Q129 HydrophobicContact CE2-CB 4.34Å; F123-Q129 HydrophobicContact CE2-CG 4.11Å; F123-Q129 HydrophobicContact CG-CB 4.06Å; S125-Q129 PolarHBondContact O-N 2.87Å; A126-Q129 WeakPolarHBondContact O-CB 3.39Å; A126-Q129 PolarHBondContact O-N 2.94Å; Q129-R131 PolarHBondContact O-N 3.41Å; Q129-F132 WeakPolarHBondContact O-CB 3.48Å; Q129-F132 PolarHBondContact O-N 3.39Å; Q129-A133 WeakPolarHBondContact O-CB 3.23Å; Q129-A133 PolarHBondContact O-N 3.06Å; Q129-I358 HydrophobicContact CG-CG2 3.71Å; Q129-I358 PolarHBondContact NE2-O 2.75Å; Q129-R360 VanDerWaalsContact NE2-N 3.18Å
130	L	96	Very high	90.2	Very high	7 Å²	7	28.1 Å²	28.1	4%	0.037	14%	0.138	C	C	.	.	H	α-helix	trans	-68.8	-32.3	-179	-62.3	-173.9	0	0	0	112.8	A126 R127 Q128 A133 A134 Y228 L231 R232 T235 L294	A126-L130 WeakPolarHBondContact O-CG 3.2Å; A126-L130 PolarHBondContact O-N 3.2Å; R127-L130 PolarHBondContact O-N 3.3Å; Q128-L130 PolarHBondContact O-N 3.5Å; L130-A133 PolarHBondContact O-N 3.12Å; L130-A134 WeakPolarHBondContact O-CB 3.29Å; L130-A134 PolarHBondContact O-N 3.38Å; L130-Y228 HydrophobicContact CB-CD2 3.95Å; L130-Y228 HydrophobicContact CB-CE2 3.84Å; L130-L231 HydrophobicContact CD2-CB 4.22Å; L130-R232 HydrophobicContact CD1-CB 4.47Å; L130-R232 HydrophobicContact CD1-CG 3.8Å; L130-T235 HydrophobicContact CD1-CG2 4.16Å; L130-T235 HydrophobicContact CD2-CG2 3.95Å; L130-L294 HydrophobicContact CD2-CD1 3.8Å; L130-L294 HydrophobicContact CD2-CD2 4.35Å
131	R	92.6	Very high	90.5	Very high	54 Å²	54	24.2 Å²	24.2	20%	0.204	12%	0.123	C	C	.	.	H	α-helix	trans	-66	-44.3	171.9	-76.1	-70	174.9	176.3	-2.4	111.5	R127 Q128 Q129 A133 A134 Q135 E225 Y228	R127-R131 HydrophobicContact CG-CG 4.34Å; R127-R131 WeakPolarHBondContact O-CB 3.45Å; R127-R131 VanDerWaalsContact O-CG 3.26Å; R127-R131 WeakPolarHBondContact O-CG 3.49Å; R127-R131 PolarHBondContact O-N 3.35Å; Q128-R131 PolarHBondContact O-N 2.77Å; Q129-R131 PolarHBondContact O-N 3.41Å; R131-A133 VanDerWaalsContact C-N 3.32Å; R131-A133 PolarHBondContact O-N 2.93Å; R131-A134 PolarHBondContact O-N 2.92Å; R131-Q135 WeakPolarHBondContact O-CG 3.39Å; R131-Q135 PolarHBondContact O-N 3.26Å; R131-E225 IonicContact CZ-OE1 2.65Å; R131-E225 IonicContact CZ-OE2 3.36Å; R131-E225 IonicContact NH1-OE2 2.86Å; R131-E225 PolarHBondContact NH1-OE2 2.79Å; R131-E225 VanDerWaalsContact NH2-CD 3.27Å; R131-E225 IonicContact NH2-OE1 3.76Å; R131-E225 PolarHBondContact NH2-OE1 2.89Å; R131-E225 IonicContact NH2-OE2 3.44Å; R131-E225 PolarHBondContact NH2-OE2 2.88Å; R131-Y228 HydrophobicContact CG-CD2 3.8Å; R131-Y228 HydrophobicContact CG-CE2 3.68Å
132	F	92.5	Very high	90.5	Very high	10 Å²	10	23 Å²	23	4%	0.044	12%	0.118	C	C	.	.	H	α-helix	trans	-60.4	-43.1	174.1	177.8	-92.9	0	0	0	111.3	H121 F123 Q128 Q129 Q135 L136 I358 C364 M389	H121-F132 AromaticContact CD2-CE2 3.51Å; H121-F132 AromaticContact CE1-CE2 3.73Å; H121-F132 AromaticContact CE1-CZ 3.75Å; H121-F132 AromaticContact NE2-CE2 3.26Å; H121-F132 VanDerWaalsContact NE2-CE2 3.26Å; H121-F132 WeakPolarHBondContact NE2-CE2 3.34Å; H121-F132 AromaticContact NE2-CZ 3.78Å; F123-F132 HydrophobicContact CE1-CB 3.62Å; F123-F132 HydrophobicContact CE1-CD1 4.2Å; F123-F132 HydrophobicContact CE1-CD2 4.24Å; F123-F132 AromaticContact CE1-CG 3.76Å; F123-F132 HydrophobicContact CE1-CG 3.76Å; F123-F132 HydrophobicContact CZ-CB 3.93Å; F123-F132 AromaticContact CZ-CD1 3.68Å; F123-F132 HydrophobicContact CZ-CD1 3.68Å; F123-F132 HydrophobicContact CZ-CD2 4.39Å; F123-F132 HydrophobicContact CZ-CE1 4.31Å; F123-F132 AromaticContact CZ-CG 3.74Å; F123-F132 HydrophobicContact CZ-CG 3.74Å; Q128-F132 WeakPolarHBondContact O-CB 3.39Å; Q128-F132 PolarHBondContact O-N 2.85Å; Q129-F132 WeakPolarHBondContact O-CB 3.48Å; Q129-F132 PolarHBondContact O-N 3.39Å; F132-Q135 PolarHBondContact O-N 3.28Å; F132-L136 WeakPolarHBondContact O-CB 3.44Å; F132-L136 PolarHBondContact O-N 3.13Å; F132-I358 HydrophobicContact CD1-CD1 3.9Å; F132-I358 HydrophobicContact CD1-CG1 4.38Å; F132-I358 HydrophobicContact CD1-CG2 4.06Å; F132-I358 HydrophobicContact CE1-CD1 4.09Å; F132-I358 HydrophobicContact CE1-CG1 4.26Å; F132-I358 HydrophobicContact CE1-CG2 4.48Å; F132-C364 HydrophobicContact CE1-CB 4.27Å; F132-M389 HydrophobicContact CD1-CE 4.48Å; F132-M389 HydrophobicContact CD2-CE 3.49Å; F132-M389 VanDerWaalsContact CD2-CE 3.49Å; F132-M389 HydrophobicContact CE1-CE 4.28Å; F132-M389 HydrophobicContact CE2-CE 3.25Å; F132-M389 HydrophobicContact CE2-SD 4.45Å; F132-M389 HydrophobicContact CG-CE 4.11Å; F132-M389 HydrophobicContact CZ-CE 3.68Å
133	A	95.8	Very high	90.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.1	-44.4	175.2	0	0	0	0	0	112.9	Q129 L130 R131 Q135 L136 I137 L231 L292 L294 I358	Q129-A133 WeakPolarHBondContact O-CB 3.23Å; Q129-A133 PolarHBondContact O-N 3.06Å; L130-A133 PolarHBondContact O-N 3.12Å; R131-A133 VanDerWaalsContact C-N 3.32Å; R131-A133 PolarHBondContact O-N 2.93Å; A133-Q135 VanDerWaalsContact C-N 3.34Å; A133-Q135 PolarHBondContact O-N 3.49Å; A133-L136 WeakPolarHBondContact O-CB 3.39Å; A133-L136 PolarHBondContact O-N 3.48Å; A133-I137 WeakPolarHBondContact O-CG1 3.35Å; A133-I137 PolarHBondContact O-N 3.33Å; A133-L231 HydrophobicContact CB-CD1 3.67Å; A133-L292 HydrophobicContact CB-CD2 4.18Å; A133-L294 HydrophobicContact CB-CD2 4.27Å; A133-I358 VanDerWaalsContact CA-CD1 3.46Å; A133-I358 HydrophobicContact CB-CD1 3.47Å; A133-I358 VanDerWaalsContact CB-CD1 3.47Å
134	A	94.5	Very high	90.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.9	-38.9	176.3	0	0	0	0	0	112.8	L130 R131 S138 E224 I227 L231	L130-A134 WeakPolarHBondContact O-CB 3.29Å; L130-A134 PolarHBondContact O-N 3.38Å; R131-A134 PolarHBondContact O-N 2.92Å; A134-S138 WeakPolarHBondContact O-CB 3.25Å; A134-S138 PolarHBondContact O-N 2.94Å; A134-S138 PolarHBondContact O-OG 3.19Å; A134-E224 HydrophobicContact CB-CG 4.05Å; A134-I227 HydrophobicContact CB-CB 4.28Å; A134-I227 HydrophobicContact CB-CG2 3.93Å; A134-L231 HydrophobicContact CB-CD1 4.31Å
135	Q	91.5	Very high	90.9	Very high	33 Å²	33	20.7 Å²	20.7	15%	0.154	10%	0.102	C	C	.	.	H	α-helix	trans	-65.3	-42.3	173.5	-74.7	176.8	-5.2	0	0	111.9	R131 F132 A133 S138 G139 E224 M389	R131-Q135 WeakPolarHBondContact O-CG 3.39Å; R131-Q135 PolarHBondContact O-N 3.26Å; F132-Q135 PolarHBondContact O-N 3.28Å; A133-Q135 VanDerWaalsContact C-N 3.34Å; A133-Q135 PolarHBondContact O-N 3.49Å; Q135-S138 PolarHBondContact O-N 3.44Å; Q135-G139 PolarHBondContact O-N 3.13Å; Q135-E224 HydrophobicContact CG-CG 4.3Å; Q135-E224 WeakPolarHBondContact CG-OE1 3.13Å; Q135-E224 PolarHBondContact NE2-OE1 3.4Å; Q135-M389 HydrophobicContact CB-CE 3.87Å; Q135-M389 HydrophobicContact CB-CG 4.45Å
136	L	93.6	Very high	90.9	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.016	10%	0.104	C	C	.	.	H	α-helix	trans	-60.9	-51.1	176.6	-174.7	77.2	0	0	0	110.9	F132 A133 S138 G139 I140 F356 I358 I385 M389	F132-L136 WeakPolarHBondContact O-CB 3.44Å; F132-L136 PolarHBondContact O-N 3.13Å; A133-L136 WeakPolarHBondContact O-CB 3.39Å; A133-L136 PolarHBondContact O-N 3.48Å; L136-S138 VanDerWaalsContact C-N 3.27Å; L136-S138 PolarHBondContact O-N 3.47Å; L136-G139 PolarHBondContact O-N 3.49Å; L136-I140 HydrophobicContact CD2-CD1 4.42Å; L136-I140 HydrophobicContact CG-CD1 3.96Å; L136-I140 WeakPolarHBondContact O-CD1 3.42Å; L136-I140 VanDerWaalsContact O-CG1 3.29Å; L136-I140 WeakPolarHBondContact O-CG1 3.32Å; L136-I140 PolarHBondContact O-N 2.85Å; L136-F356 HydrophobicContact CD2-CB 3.89Å; L136-F356 HydrophobicContact CD2-CD1 4Å; L136-F356 HydrophobicContact CD2-CG 4.1Å; L136-I358 HydrophobicContact CD2-CD1 3.82Å; L136-I358 HydrophobicContact CD2-CG1 4.32Å; L136-I385 HydrophobicContact CD1-CG2 3.54Å; L136-I385 HydrophobicContact CG-CG2 4.48Å; L136-M389 HydrophobicContact CB-CE 4.04Å; L136-M389 HydrophobicContact CB-SD 4.07Å; L136-M389 HydrophobicContact CD1-CE 4.41Å; L136-M389 HydrophobicContact CD1-SD 3.62Å; L136-M389 HydrophobicContact CG-SD 4.47Å
137	I	94.9	Very high	90.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-56.2	-45.9	175.9	-66.1	164.2	0	0	0	109.8	A133 G139 I140 L141 I202 V215 I227 L231 F290 L292	A133-I137 WeakPolarHBondContact O-CG1 3.35Å; A133-I137 PolarHBondContact O-N 3.33Å; I137-G139 PolarHBondContact O-N 3.07Å; I137-I140 PolarHBondContact O-N 3.45Å; I137-L141 HydrophobicContact CG2-CD1 3.92Å; I137-L141 HydrophobicContact CG2-CG 4.26Å; I137-L141 VanDerWaalsContact O-CG 3.3Å; I137-L141 WeakPolarHBondContact O-CG 3.36Å; I137-L141 PolarHBondContact O-N 3.38Å; I137-I202 HydrophobicContact CD1-CD1 3.65Å; I137-I202 HydrophobicContact CG1-CD1 4.11Å; I137-I202 HydrophobicContact CG2-CD1 4.34Å; I137-V215 HydrophobicContact CG2-CG1 4.45Å; I137-I227 HydrophobicContact CB-CD1 4.46Å; I137-I227 HydrophobicContact CB-CG2 4.17Å; I137-I227 HydrophobicContact CD1-CG2 3.53Å; I137-I227 HydrophobicContact CG1-CG2 4.47Å; I137-I227 HydrophobicContact CG2-CD1 3.84Å; I137-I227 HydrophobicContact CG2-CG2 4.19Å; I137-L231 HydrophobicContact CD1-CD1 4.12Å; I137-L231 HydrophobicContact CD1-CD2 4.32Å; I137-F290 HydrophobicContact CB-CZ 4.43Å; I137-F290 HydrophobicContact CG1-CE2 4.28Å; I137-F290 HydrophobicContact CG1-CZ 4.07Å; I137-F290 HydrophobicContact CG2-CZ 4.18Å; I137-L292 HydrophobicContact CD1-CD2 3.9Å; I137-L292 HydrophobicContact CG1-CD2 4.44Å
138	S	90.7	Very high	90.6	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.021	9%	0.091	C	C	.	.	H	α-helix	trans	-59.4	-45.8	178.8	-68.9	0	0	0	0	112.2	A134 Q135 L136 I140 L141 D142 R221	A134-S138 WeakPolarHBondContact O-CB 3.25Å; A134-S138 PolarHBondContact O-N 2.94Å; A134-S138 PolarHBondContact O-OG 3.19Å; Q135-S138 PolarHBondContact O-N 3.44Å; L136-S138 VanDerWaalsContact C-N 3.27Å; L136-S138 PolarHBondContact O-N 3.47Å; S138-I140 VanDerWaalsContact C-N 3.34Å; S138-I140 PolarHBondContact O-N 3.29Å; S138-L141 PolarHBondContact O-N 3.14Å; S138-D142 PolarHBondContact O-N 2.94Å; S138-D142 VanDerWaalsContact O-N 3.08Å; S138-R221 VanDerWaalsContact C-NH2 3.32Å; S138-R221 VanDerWaalsContact CB-NH2 3.3Å; S138-R221 PolarHBondContact O-NH2 3.49Å
139	G	89.1	Confident	90.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.9	-38	175.4	0	0	0	0	0	113.3	Q135 L136 I137 D142 Y143 Y388	Q135-G139 PolarHBondContact O-N 3.13Å; L136-G139 PolarHBondContact O-N 3.49Å; I137-G139 PolarHBondContact O-N 3.07Å; G139-D142 PolarHBondContact O-N 2.62Å; G139-Y143 PolarHBondContact O-N 3.07Å; G139-Y388 VanDerWaalsContact CA-CE1 3.4Å
140	I	93	Very high	89.9	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.2	-44.3	174.8	-66.4	158.3	0	0	0	110.9	L136 I137 S138 D142 Y143 K144 F175 F290 F356 I385	L136-I140 HydrophobicContact CD2-CD1 4.42Å; L136-I140 HydrophobicContact CG-CD1 3.96Å; L136-I140 WeakPolarHBondContact O-CD1 3.42Å; L136-I140 VanDerWaalsContact O-CG1 3.29Å; L136-I140 WeakPolarHBondContact O-CG1 3.32Å; L136-I140 PolarHBondContact O-N 2.85Å; I137-I140 PolarHBondContact O-N 3.45Å; S138-I140 VanDerWaalsContact C-N 3.34Å; S138-I140 PolarHBondContact O-N 3.29Å; I140-D142 VanDerWaalsContact C-N 3.32Å; I140-D142 PolarHBondContact O-N 3.21Å; I140-Y143 PolarHBondContact O-N 3.47Å; I140-K144 WeakPolarHBondContact O-CB 3.47Å; I140-K144 PolarHBondContact O-N 3.06Å; I140-F175 HydrophobicContact CG2-CE1 3.75Å; I140-F175 HydrophobicContact CG2-CE2 4.24Å; I140-F175 HydrophobicContact CG2-CZ 3.57Å; I140-F290 HydrophobicContact CB-CE1 4.07Å; I140-F290 HydrophobicContact CB-CZ 4.31Å; I140-F290 HydrophobicContact CD1-CE1 4.13Å; I140-F290 HydrophobicContact CD1-CE2 3.96Å; I140-F290 HydrophobicContact CD1-CZ 3.73Å; I140-F290 HydrophobicContact CG2-CD1 3.77Å; I140-F290 HydrophobicContact CG2-CE1 3.38Å; I140-F290 HydrophobicContact CG2-CZ 4.08Å; I140-F356 HydrophobicContact CD1-CD1 4.16Å; I140-F356 HydrophobicContact CD1-CD2 3.64Å; I140-F356 HydrophobicContact CD1-CE1 3.92Å; I140-F356 HydrophobicContact CD1-CE2 3.38Å; I140-F356 HydrophobicContact CD1-CG 4.02Å; I140-F356 HydrophobicContact CD1-CZ 3.52Å; I140-F356 HydrophobicContact CG1-CE1 4.35Å; I140-F356 HydrophobicContact CG1-CE2 4.11Å; I140-F356 HydrophobicContact CG1-CZ 3.87Å; I140-I385 HydrophobicContact CB-CD1 4.43Å; I140-I385 HydrophobicContact CD1-CD1 4.5Å; I140-I385 HydrophobicContact CG1-CD1 3.44Å; I140-I385 VanDerWaalsContact CG1-CD1 3.44Å; I140-I385 HydrophobicContact CG1-CG1 4.12Å; I140-I385 HydrophobicContact CG1-CG2 4.45Å
141	L	90.3	Very high	89.2	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-65.3	-35	179.5	-66.8	173.8	0	0	0	112.4	I137 S138 T145 V215 I216 R221 I227 M289	I137-L141 HydrophobicContact CG2-CD1 3.92Å; I137-L141 HydrophobicContact CG2-CG 4.26Å; I137-L141 VanDerWaalsContact O-CG 3.3Å; I137-L141 WeakPolarHBondContact O-CG 3.36Å; I137-L141 PolarHBondContact O-N 3.38Å; S138-L141 PolarHBondContact O-N 3.14Å; L141-T145 PolarHBondContact O-N 3.24Å; L141-T145 PolarHBondContact O-OG1 3.31Å; L141-V215 HydrophobicContact CD1-CB 4.05Å; L141-V215 HydrophobicContact CD1-CG2 4.37Å; L141-V215 HydrophobicContact CD2-CB 4.44Å; L141-V215 HydrophobicContact CD2-CG2 3.86Å; L141-I216 HydrophobicContact CD2-CD1 4.35Å; L141-R221 HydrophobicContact CD1-CG 4.07Å; L141-I227 HydrophobicContact CD1-CD1 4.24Å; L141-M289 HydrophobicContact CD2-CE 3.68Å; L141-M289 HydrophobicContact CD2-SD 3.52Å; L141-M289 VanDerWaalsContact CD2-SD 3.52Å
142	D	85.2	Confident	88.9	Confident	13 Å²	13	24.7 Å²	24.7	7%	0.07	13%	0.125	C	C	.	.	H	α-helix	trans	-66	-45.6	171.8	-74.9	-45.4	0	0	0	111.7	S138 G139 I140 K144 T145 I146 R221 Y388	S138-D142 PolarHBondContact O-N 2.94Å; S138-D142 VanDerWaalsContact O-N 3.08Å; G139-D142 PolarHBondContact O-N 2.62Å; I140-D142 VanDerWaalsContact C-N 3.32Å; I140-D142 PolarHBondContact O-N 3.21Å; D142-K144 VanDerWaalsContact C-N 3.34Å; D142-K144 PolarHBondContact O-N 3.13Å; D142-T145 WeakPolarHBondContact O-CB 3.39Å; D142-T145 PolarHBondContact O-N 3.28Å; D142-I146 PolarHBondContact O-N 2.8Å; D142-R221 IonicContact OD1-CZ 2.68Å; D142-R221 IonicContact OD1-NH1 3.6Å; D142-R221 PolarHBondContact OD1-NH1 3.43Å; D142-R221 IonicContact OD2-CZ 3.99Å; D142-R221 IonicContact OD2-NH1 3.19Å; D142-R221 PolarHBondContact OD2-NH1 3.18Å; D142-R221 IonicContact OD2-NH2 2.77Å; D142-R221 PolarHBondContact OD2-NH2 3.21Å; D142-Y388 HydrophobicContact CB-CE2 4.12Å; D142-Y388 WeakPolarHBondContact OD2-CE2 3.29Å; D142-Y388 PolarHBondContact OD2-OH 2.84Å
143	Y	87.2	Confident	88.4	Confident	1 Å²	1	26.5 Å²	26.5	0%	0.004	14%	0.137	C	C	.	.	H	α-helix	trans	-64.2	-39.1	175.5	-168.5	-98.5	0	0	0	112.4	G139 I140 T145 I146 L147 L152 F175 L381 H384	G139-Y143 PolarHBondContact O-N 3.07Å; I140-Y143 PolarHBondContact O-N 3.47Å; Y143-T145 VanDerWaalsContact C-N 3.27Å; Y143-T145 PolarHBondContact O-N 3.42Å; Y143-I146 HydrophobicContact CD2-CD1 4.49Å; Y143-I146 WeakPolarHBondContact O-CA 3.36Å; Y143-I146 VanDerWaalsContact O-CB 3.3Å; Y143-I146 WeakPolarHBondContact O-CB 3.5Å; Y143-I146 PolarHBondContact O-N 2.91Å; Y143-L147 HydrophobicContact CD1-CD1 3.68Å; Y143-L147 HydrophobicContact CD1-CD2 4.33Å; Y143-L147 HydrophobicContact CD1-CG 3.76Å; Y143-L147 HydrophobicContact CE1-CD1 3.63Å; Y143-L147 HydrophobicContact CE1-CD2 3.7Å; Y143-L147 HydrophobicContact CE1-CG 3.64Å; Y143-L147 PolarHBondContact O-N 3.31Å; Y143-L152 HydrophobicContact CE2-CD1 3.77Å; Y143-L152 WeakPolarHBondContact OH-CD1 3.45Å; Y143-F175 HydrophobicContact CD1-CE2 4.3Å; Y143-L381 HydrophobicContact CD1-CD1 3.08Å; Y143-L381 HydrophobicContact CD1-CG 4.42Å; Y143-L381 HydrophobicContact CE1-CB 4.04Å; Y143-L381 HydrophobicContact CE1-CD1 3.28Å; Y143-L381 HydrophobicContact CE1-CG 4.27Å; Y143-L381 HydrophobicContact CG-CD1 3.73Å; Y143-H384 HydrophobicContact CD2-CB 3.91Å; Y143-H384 AromaticContact CD2-CD2 3.23Å; Y143-H384 WeakPolarHBondContact CD2-CD2 3.43Å; Y143-H384 AromaticContact CD2-CG 3.44Å; Y143-H384 VanDerWaalsContact CD2-CG 3.44Å; Y143-H384 AromaticContact CD2-NE2 3.69Å; Y143-H384 HydrophobicContact CE2-CB 3.83Å; Y143-H384 AromaticContact CE2-CG 3.73Å
144	K	87.8	Confident	88.1	Confident	17 Å²	17	29 Å²	29	7%	0.074	15%	0.15	C	C	.	.	H	α-helix	trans	-58.9	-41.4	174.8	-174.1	179.5	-175.6	-66.5	0	111	I140 D142 I146 L147 D148 F175 E200 M289	I140-K144 WeakPolarHBondContact O-CB 3.47Å; I140-K144 PolarHBondContact O-N 3.06Å; D142-K144 VanDerWaalsContact C-N 3.34Å; D142-K144 PolarHBondContact O-N 3.13Å; K144-I146 VanDerWaalsContact C-N 3.26Å; K144-I146 PolarHBondContact O-N 2.92Å; K144-L147 WeakPolarHBondContact O-CA 3.31Å; K144-L147 WeakPolarHBondContact O-CB 3.29Å; K144-L147 PolarHBondContact O-N 3.5Å; K144-D148 IonicContact NZ-OD1 3.97Å; K144-D148 PolarHBondContact NZ-OD1 3.08Å; K144-D148 IonicContact NZ-OD2 2.79Å; K144-D148 PolarHBondContact NZ-OD2 3.3Å; K144-D148 VanDerWaalsContact O-CG 3.27Å; K144-D148 PolarHBondContact O-N 2.82Å; K144-F175 HydrophobicContact CB-CD2 4.39Å; K144-F175 HydrophobicContact CG-CD2 4.39Å; K144-E200 VanDerWaalsContact CE-OE2 3.29Å; K144-E200 WeakPolarHBondContact CE-OE2 3.46Å; K144-E200 IonicContact NZ-OE2 2.81Å; K144-E200 PolarHBondContact NZ-OE2 3.44Å; K144-M289 HydrophobicContact CD-CE 3.66Å; K144-M289 HydrophobicContact CD-CG 4.14Å; K144-M289 HydrophobicContact CD-SD 3.43Å; K144-M289 WeakPolarHBondContact CD-SD 3.27Å
145	T	85.2	Confident	87.9	Confident	59 Å²	59	30.5 Å²	30.5	36%	0.362	16%	0.158	S	C	.	.	H	α-helix	trans	-58.2	-40	173.8	-56.5	0	0	0	0	111.6	L141 D142 Y143 T149	L141-T145 PolarHBondContact O-N 3.24Å; L141-T145 PolarHBondContact O-OG1 3.31Å; D142-T145 WeakPolarHBondContact O-CB 3.39Å; D142-T145 PolarHBondContact O-N 3.28Å; Y143-T145 VanDerWaalsContact C-N 3.27Å; Y143-T145 PolarHBondContact O-N 3.42Å; T145-T149 WeakPolarHBondContact O-CB 3.21Å; T145-T149 VanDerWaalsContact O-CG2 3.31Å; T145-T149 WeakPolarHBondContact O-CG2 3.44Å; T145-T149 PolarHBondContact O-N 3.12Å; T145-T149 VanDerWaalsContact O-N 3.13Å; T145-T149 PolarHBondContact O-OG1 2.81Å
146	I	85.4	Confident	87.9	Confident	22 Å²	22	30.3 Å²	30.3	11%	0.113	16%	0.156	C	C	.	.	H	α-helix	trans	-64.6	-40.8	174.7	-62	169	0	0	0	110.9	I5 D142 Y143 K144 T149 R150 S151 L152	I5-I146 HydrophobicContact CG2-CG1 4.3Å; D142-I146 PolarHBondContact O-N 2.8Å; Y143-I146 HydrophobicContact CD2-CD1 4.49Å; Y143-I146 WeakPolarHBondContact O-CA 3.36Å; Y143-I146 VanDerWaalsContact O-CB 3.3Å; Y143-I146 WeakPolarHBondContact O-CB 3.5Å; Y143-I146 PolarHBondContact O-N 2.91Å; K144-I146 VanDerWaalsContact C-N 3.26Å; K144-I146 PolarHBondContact O-N 2.92Å; I146-T149 PolarHBondContact O-OG1 3.13Å; I146-R150 PolarHBondContact O-N 3.45Å; I146-S151 WeakPolarHBondContact O-CB 3.49Å; I146-S151 PolarHBondContact O-N 3.41Å; I146-L152 HydrophobicContact CG2-CB 4.27Å; I146-L152 HydrophobicContact CG2-CD1 4.35Å
147	L	88.1	Confident	87.6	Confident	6 Å²	6	30.4 Å²	30.4	3%	0.031	16%	0.157	C	C	.	.	H	α-helix	trans	-66.4	-49	177.7	-67.6	178.8	0	0	0	112.5	Y143 K144 T149 R150 L152 Y171 Y172 F175	Y143-L147 HydrophobicContact CD1-CD1 3.68Å; Y143-L147 HydrophobicContact CD1-CD2 4.33Å; Y143-L147 HydrophobicContact CD1-CG 3.76Å; Y143-L147 HydrophobicContact CE1-CD1 3.63Å; Y143-L147 HydrophobicContact CE1-CD2 3.7Å; Y143-L147 HydrophobicContact CE1-CG 3.64Å; Y143-L147 PolarHBondContact O-N 3.31Å; K144-L147 WeakPolarHBondContact O-CA 3.31Å; K144-L147 WeakPolarHBondContact O-CB 3.29Å; K144-L147 PolarHBondContact O-N 3.5Å; L147-T149 PolarHBondContact O-N 3.25Å; L147-R150 WeakPolarHBondContact O-CA 3.44Å; L147-R150 PolarHBondContact O-N 3.41Å; L147-L152 HydrophobicContact CD2-CD2 4.18Å; L147-Y171 WeakPolarHBondContact CD1-O 3.37Å; L147-Y172 HydrophobicContact CB-CD1 4.1Å; L147-Y172 HydrophobicContact CD2-CD1 3.9Å; L147-Y172 HydrophobicContact CD2-CE1 4.05Å; L147-Y172 VanDerWaalsContact O-CD1 3.26Å; L147-Y172 WeakPolarHBondContact O-CD1 3.49Å; L147-Y172 WeakPolarHBondContact O-CE1 3.38Å; L147-F175 HydrophobicContact CD1-CD2 3.69Å; L147-F175 HydrophobicContact CD1-CE2 3.77Å
148	D	85	Confident	86.9	Confident	99 Å²	99	39.4 Å²	39.4	53%	0.529	19%	0.191	S	C	.	.	H	α-helix	trans	-63.1	-34	-178.3	-65.8	-21.3	0	0	0	111.5	K144 R150	K144-D148 IonicContact NZ-OD1 3.97Å; K144-D148 PolarHBondContact NZ-OD1 3.08Å; K144-D148 IonicContact NZ-OD2 2.79Å; K144-D148 PolarHBondContact NZ-OD2 3.3Å; K144-D148 VanDerWaalsContact O-CG 3.27Å; K144-D148 PolarHBondContact O-N 2.82Å; D148-R150 PolarHBondContact O-N 2.92Å
149	T	84.2	Confident	86	Confident	69 Å²	69	44.6 Å²	44.6	42%	0.423	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	7.1	174.3	57.8	0	0	0	0	113.5	T145 I146 L147 S151	T145-T149 WeakPolarHBondContact O-CB 3.21Å; T145-T149 VanDerWaalsContact O-CG2 3.31Å; T145-T149 WeakPolarHBondContact O-CG2 3.44Å; T145-T149 PolarHBondContact O-N 3.12Å; T145-T149 VanDerWaalsContact O-N 3.13Å; T145-T149 PolarHBondContact O-OG1 2.81Å; I146-T149 PolarHBondContact O-OG1 3.13Å; L147-T149 PolarHBondContact O-N 3.25Å; T149-S151 WeakPolarHBondContact CB-OG 3.34Å; T149-S151 PolarHBondContact O-N 3.46Å; T149-S151 PolarHBondContact O-OG 2.94Å; T149-S151 VanDerWaalsContact OG1-CB 3.31Å; T149-S151 WeakPolarHBondContact OG1-CB 3.29Å; T149-S151 PolarHBondContact OG1-OG 3.46Å
150	R	85.6	Confident	85.2	Confident	151 Å²	151	45.2 Å²	45.2	57%	0.57	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	46	39	-177.2	-67.1	-173.9	166.1	-129.8	-11.4	113.2	I146 L147 D148 E169 Y172	I146-R150 PolarHBondContact O-N 3.45Å; L147-R150 WeakPolarHBondContact O-CA 3.44Å; L147-R150 PolarHBondContact O-N 3.41Å; D148-R150 PolarHBondContact O-N 2.92Å; R150-E169 IonicContact CZ-OE1 3.9Å; R150-E169 IonicContact NH1-OE1 2.91Å; R150-E169 PolarHBondContact NH1-OE1 2.85Å; R150-E169 IonicContact NH2-OE1 3.82Å; R150-E169 PolarHBondContact NH2-OE1 2.58Å; R150-E169 IonicContact NH2-OE2 2.67Å; R150-Y172 HydrophobicContact CB-CE1 4.29Å; R150-Y172 HydrophobicContact CG-CD1 4.4Å; R150-Y172 HydrophobicContact CG-CE1 4.05Å; R150-Y172 HydrophobicContact CG-CE2 4.26Å
151	S	81.9	Confident	84.5	Confident	21 Å²	21	49.9 Å²	49.9	15%	0.147	24%	0.24	C	C	.	.			trans	-101.1	5.8	-168.7	-75.3	0	0	0	0	113.1	V9 I146 T149	V9-S151 VanDerWaalsContact CG1-CB 3.44Å; V9-S151 WeakPolarHBondContact CG1-OG 3.25Å; I146-S151 WeakPolarHBondContact O-CB 3.49Å; I146-S151 PolarHBondContact O-N 3.41Å; T149-S151 WeakPolarHBondContact CB-OG 3.34Å; T149-S151 PolarHBondContact O-N 3.46Å; T149-S151 PolarHBondContact O-OG 2.94Å; T149-S151 VanDerWaalsContact OG1-CB 3.31Å; T149-S151 WeakPolarHBondContact OG1-CB 3.29Å; T149-S151 PolarHBondContact OG1-OG 3.46Å
152	L	84.8	Confident	84.2	Confident	11 Å²	11	56.1 Å²	56.1	6%	0.058	27%	0.267	C	S	.	.	S	Bend	trans	-70.1	132.9	177.8	-170.1	69.3	0	0	0	110	Y143 I146 L147 I154 M168 Y171	Y143-L152 HydrophobicContact CE2-CD1 3.77Å; Y143-L152 WeakPolarHBondContact OH-CD1 3.45Å; I146-L152 HydrophobicContact CG2-CB 4.27Å; I146-L152 HydrophobicContact CG2-CD1 4.35Å; L147-L152 HydrophobicContact CD2-CD2 4.18Å; L152-I154 PolarHBondContact O-N 3.44Å; L152-M168 HydrophobicContact CD2-CE 3.8Å; L152-M168 HydrophobicContact CG-CE 4.27Å; L152-Y171 HydrophobicContact CD2-CD1 3.65Å; L152-Y171 HydrophobicContact CD2-CD2 3.91Å; L152-Y171 HydrophobicContact CD2-CE1 4.07Å; L152-Y171 HydrophobicContact CD2-CE2 4.29Å; L152-Y171 HydrophobicContact CD2-CG 3.55Å
153	P	83.9	Confident	84.2	Confident	47 Å²	47	55.5 Å²	55.5	31%	0.305	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-56.4	137.2	175.3	-28.2	34.9	0	0	0	112.1	L12 D155 M168 R380	L12-P153 HydrophobicContact CD1-CG 3.74Å; P153-D155 PolarHBondContact O-N 2.86Å; P153-M168 WeakPolarHBondContact O-CE 3.48Å; P153-R380 VanDerWaalsContact CD-NH2 3.33Å; P153-R380 VanDerWaalsContact O-CZ 3.32Å; P153-R380 PolarHBondContact O-NH1 2.84Å; P153-R380 PolarHBondContact O-NH2 3.23Å
154	I	88.6	Confident	84.4	Confident	52 Å²	52	55.7 Å²	55.7	27%	0.267	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-73.5	129	-173.2	-62.9	174.1	0	0	0	109.7	L25 L152 R156 P165 M168	L25-I154 HydrophobicContact CD1-CD1 3.8Å; L25-I154 HydrophobicContact CD2-CD1 3.75Å; L25-I154 HydrophobicContact CG-CD1 4.39Å; L152-I154 PolarHBondContact O-N 3.44Å; I154-R156 HydrophobicContact CG2-CG 4.38Å; I154-P165 HydrophobicContact CG2-CB 3.66Å; I154-M168 HydrophobicContact CG2-CG 4.44Å; I154-M168 HydrophobicContact CG2-SD 4.42Å
155	D	90.5	Very high	84.7	Confident	33 Å²	33	55.5 Å²	55.5	18%	0.176	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-66	135.6	168.9	-69.5	-25.1	0	0	0	109.2	P153 F166 M168 Y171 R380 R489	P153-D155 PolarHBondContact O-N 2.86Å; D155-F166 HydrophobicContact CB-CB 4Å; D155-F166 HydrophobicContact CB-CD2 3.84Å; D155-F166 HydrophobicContact CB-CG 4.24Å; D155-F166 WeakPolarHBondContact O-CB 3.49Å; D155-F166 PolarHBondContact O-N 2.89Å; D155-M168 HydrophobicContact CB-SD 3.95Å; D155-M168 PolarHBondContact N-SD 3.16Å; D155-M168 VanDerWaalsContact N-SD 3.36Å; D155-Y171 VanDerWaalsContact OD2-CE2 3.23Å; D155-Y171 WeakPolarHBondContact OD2-CE2 3.25Å; D155-Y171 VanDerWaalsContact OD2-CZ 3.31Å; D155-Y171 PolarHBondContact OD2-OH 2.88Å; D155-R380 IonicContact OD1-CZ 3.69Å; D155-R380 IonicContact OD1-NH1 2.71Å; D155-R380 PolarHBondContact OD1-NH1 2.82Å; D155-R489 IonicContact OD2-CZ 3.8Å; D155-R489 VanDerWaalsContact OD2-CZ 3.3Å; D155-R489 IonicContact OD2-NH1 2.71Å; D155-R489 PolarHBondContact OD2-NH1 3.43Å; D155-R489 IonicContact OD2-NH2 3.33Å; D155-R489 PolarHBondContact OD2-NH2 3.45Å
156	R	90.7	Very high	85.1	Confident	29 Å²	29	54.8 Å²	54.8	11%	0.109	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-129.1	150.2	-179.8	-67.1	177.6	-179.8	-94.4	7.9	111.9	I154 R158 G163 Q164	I154-R156 HydrophobicContact CG2-CG 4.38Å; R156-R158 PolarHBondContact O-N 3.38Å; R156-G163 WeakPolarHBondContact CD-O 3.42Å; R156-G163 WeakPolarHBondContact CG-O 3.37Å; R156-G163 PolarHBondContact NH1-O 2.9Å; R156-Q164 CarbonylContact C-O 3.29Å; R156-Q164 WeakPolarHBondContact CA-O 3.35Å
157	A	87.7	Confident	85.6	Confident	5 Å²	5	54.1 Å²	54.1	4%	0.041	25%	0.254	C	S	.	.			trans	-57.1	127.4	170.7	0	0	0	0	0	110.6	K161 K162 G163 Q164 F166	A157-K161 WeakPolarHBondContact CB-O 3.32Å; A157-K162 WeakPolarHBondContact O-CA 3.44Å; A157-G163 PolarHBondContact O-N 3.01Å; A157-Q164 HydrophobicContact CB-CB 4.05Å; A157-Q164 PolarHBondContact N-O 2.85Å; A157-F166 HydrophobicContact CB-CE1 3.71Å; A157-F166 HydrophobicContact CB-CZ 4Å; A157-F166 VanDerWaalsContact N-CE1 3.33Å
158	R	80.2	Confident	85.8	Confident	188 Å²	188	54.6 Å²	54.6	71%	0.709	26%	0.256	S	S	*	.	S	Bend	trans	-85.2	-33.5	171.8	-64.7	-173.3	-178.3	-169.3	3.1	112.2	R156 K162	R156-R158 PolarHBondContact O-N 3.38Å; R158-K162 WeakPolarHBondContact O-CG 3.3Å
159	H	72.5	Confident	86.3	Confident	113 Å²	113	52.3 Å²	52.3	52%	0.523	24%	0.242	S	C	.	.	S	Bend	trans	-127.1	159	-179.3	-56.3	-72.2	0	0	0	110.1
160	S	72.3	Confident	86.8	Confident	13 Å²	13	49.2 Å²	49.2	9%	0.091	22%	0.223	C	C	.	.	S	Bend	trans	47.3	92.1	177	-53.1	0	0	0	0	114	R490 L540	S160-R490 PolarHBondContact O-NH2 3.2Å; S160-L540 VanDerWaalsContact OG-CD2 3.29Å; S160-L540 WeakPolarHBondContact OG-CD2 3.42Å
161	K	77.7	Confident	87.2	Confident	97 Å²	97	42.1 Å²	42.1	42%	0.422	20%	0.196	S	C	.	.	S	Bend	trans	68.1	53.4	-162.7	-48.6	-166.9	-178.8	-176.3	0	112.1	W23 A157 G163 Q164	W23-K161 HydrophobicContact CH2-CB 4.41Å; W23-K161 HydrophobicContact CH2-CD 4.37Å; W23-K161 HydrophobicContact CZ2-CB 3.99Å; A157-K161 WeakPolarHBondContact CB-O 3.32Å; K161-G163 PolarHBondContact O-N 3.26Å; K161-Q164 HydrophobicContact CB-CB 4.32Å; K161-Q164 VanDerWaalsContact O-CB 3.26Å; K161-Q164 WeakPolarHBondContact O-CB 3.12Å; K161-Q164 PolarHBondContact O-N 2.98Å
162	K	82.9	Confident	87.8	Confident	133 Å²	133	43 Å²	43	58%	0.578	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.2	136.3	177.6	-175.8	177	-179.5	-179.4	0	110.6	Y20 W23 A157 R158 Q164	Y20-K162 HydrophobicContact CE1-CG 4.19Å; W23-K162 PolarHBondContact NE1-O 3.37Å; A157-K162 WeakPolarHBondContact O-CA 3.44Å; R158-K162 WeakPolarHBondContact O-CG 3.3Å; K162-Q164 VanDerWaalsContact C-N 3.32Å; K162-Q164 PolarHBondContact O-N 3.24Å
163	G	86.8	Confident	88.3	Confident	0 Å²	0	45 Å²	45	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	-13	-178.2	0	0	0	0	0	115	Y20 R156 A157 K161	Y20-G163 VanDerWaalsContact CD1-CA 3.42Å; R156-G163 WeakPolarHBondContact CD-O 3.42Å; R156-G163 WeakPolarHBondContact CG-O 3.37Å; R156-G163 PolarHBondContact NH1-O 2.9Å; A157-G163 PolarHBondContact O-N 3.01Å; K161-G163 PolarHBondContact O-N 3.26Å
164	Q	91.2	Very high	88.8	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.019	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-57.2	124.7	-179.9	-178	177.8	-1.8	0	0	110.9	W23 R156 A157 K161 K162 R490	W23-Q164 HydrophobicContact CD2-CB 4.21Å; W23-Q164 HydrophobicContact CD2-CG 4.48Å; W23-Q164 VanDerWaalsContact CE2-CA 3.45Å; W23-Q164 HydrophobicContact CE3-CB 4.39Å; W23-Q164 HydrophobicContact CE3-CG 4.17Å; W23-Q164 HydrophobicContact CH2-CB 3.78Å; W23-Q164 HydrophobicContact CH2-CG 3.73Å; W23-Q164 HydrophobicContact CZ2-CB 3.57Å; W23-Q164 HydrophobicContact CZ2-CG 4.08Å; W23-Q164 HydrophobicContact CZ3-CB 4.19Å; W23-Q164 HydrophobicContact CZ3-CG 3.78Å; R156-Q164 CarbonylContact C-O 3.29Å; R156-Q164 WeakPolarHBondContact CA-O 3.35Å; A157-Q164 HydrophobicContact CB-CB 4.05Å; A157-Q164 PolarHBondContact N-O 2.85Å; K161-Q164 HydrophobicContact CB-CB 4.32Å; K161-Q164 VanDerWaalsContact O-CB 3.26Å; K161-Q164 WeakPolarHBondContact O-CB 3.12Å; K161-Q164 PolarHBondContact O-N 2.98Å; K162-Q164 VanDerWaalsContact C-N 3.32Å; K162-Q164 PolarHBondContact O-N 3.24Å; Q164-R490 PolarHBondContact NE2-O 3.21Å
165	P	93.1	Very high	89.1	Confident	14 Å²	14	41 Å²	41	9%	0.091	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-66.7	144.8	176.8	27.3	-33.6	0	0	0	111.5	L25 L29 I154	L25-P165 HydrophobicContact CD2-CB 3.99Å; L25-P165 HydrophobicContact CD2-CG 4.04Å; L29-P165 HydrophobicContact CD2-CB 4.2Å; L29-P165 HydrophobicContact CD2-CG 3.81Å; L29-P165 WeakPolarHBondContact CD2-O 3.42Å; I154-P165 HydrophobicContact CG2-CB 3.66Å
166	F	94.4	Very high	89.3	Confident	44 Å²	44	41 Å²	41	19%	0.193	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-100.5	155.5	174	-66.8	-5.4	0	0	0	111	D155 A157 M168 R489 R490	D155-F166 HydrophobicContact CB-CB 4Å; D155-F166 HydrophobicContact CB-CD2 3.84Å; D155-F166 HydrophobicContact CB-CG 4.24Å; D155-F166 WeakPolarHBondContact O-CB 3.49Å; D155-F166 PolarHBondContact O-N 2.89Å; A157-F166 HydrophobicContact CB-CE1 3.71Å; A157-F166 HydrophobicContact CB-CZ 4Å; A157-F166 VanDerWaalsContact N-CE1 3.33Å; F166-M168 WeakPolarHBondContact O-CG 3.4Å; F166-M168 PolarHBondContact O-N 3.07Å; F166-R489 CarbonylContact C-O 3.29Å; F166-R489 WeakPolarHBondContact CA-O 3.44Å; F166-R489 HydrophobicContact CB-CB 4.07Å; F166-R489 HydrophobicContact CD2-CB 4.49Å; F166-R489 HydrophobicContact CG-CB 4.35Å; F166-R490 HydrophobicContact CD1-CB 4.43Å; F166-R490 HydrophobicContact CD1-CG 3.94Å; F166-R490 HydrophobicContact CE1-CB 4.38Å; F166-R490 HydrophobicContact CE1-CG 3.49Å; F166-R490 VanDerWaalsContact CE1-CG 3.49Å; F166-R490 HydrophobicContact CZ-CG 4.1Å
167	C	95.1	Very high	89.6	Confident	7 Å²	7	39.6 Å²	39.6	5%	0.047	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-60.9	123.4	171.5	-178.9	0	0	0	0	109.6	L29 R489 L493	L29-C167 HydrophobicContact CD1-CB 3.73Å; L29-C167 VanDerWaalsContact CD1-N 3.28Å; C167-R489 HydrophobicContact CB-CB 4.42Å; C167-R489 WeakPolarHBondContact CB-O 3.49Å; C167-R489 PolarHBondContact N-O 2.85Å; C167-R489 VanDerWaalsContact O-CZ 3.24Å; C167-R489 PolarHBondContact O-NE 2.89Å; C167-R489 PolarHBondContact O-NH2 3.17Å; C167-L493 PolarHBondContact SG-N 2.74Å; C167-L493 VanDerWaalsContact SG-N 3.43Å
168	M	93.4	Very high	90.1	Very high	16 Å²	16	39.7 Å²	39.7	8%	0.079	18%	0.176	C	C	.	.			trans	-98.8	0.6	-177.1	-59.7	-56.8	-72.6	0	0	113.2	L152 P153 I154 D155 F166 Q170 Y171 Y172 R489	L152-M168 HydrophobicContact CD2-CE 3.8Å; L152-M168 HydrophobicContact CG-CE 4.27Å; P153-M168 WeakPolarHBondContact O-CE 3.48Å; I154-M168 HydrophobicContact CG2-CG 4.44Å; I154-M168 HydrophobicContact CG2-SD 4.42Å; D155-M168 HydrophobicContact CB-SD 3.95Å; D155-M168 PolarHBondContact N-SD 3.16Å; D155-M168 VanDerWaalsContact N-SD 3.36Å; F166-M168 WeakPolarHBondContact O-CG 3.4Å; F166-M168 PolarHBondContact O-N 3.07Å; M168-Q170 VanDerWaalsContact C-N 3.27Å; M168-Q170 PolarHBondContact O-N 3.38Å; M168-Q170 VanDerWaalsContact O-N 3.16Å; M168-Y171 HydrophobicContact CB-CD2 4.3Å; M168-Y171 HydrophobicContact CE-CD2 3.45Å; M168-Y171 VanDerWaalsContact CE-CD2 3.45Å; M168-Y171 HydrophobicContact CE-CE2 3.3Å; M168-Y171 HydrophobicContact CE-CG 4.43Å; M168-Y171 WeakPolarHBondContact O-CB 3.16Å; M168-Y171 WeakPolarHBondContact O-CD2 3.27Å; M168-Y171 PolarHBondContact O-N 3.39Å; M168-Y171 HydrophobicContact SD-CD2 4.12Å; M168-Y171 HydrophobicContact SD-CE2 3.86Å; M168-Y172 HydrophobicContact CB-CD2 4.5Å; M168-Y172 HydrophobicContact CB-CE2 3.67Å; M168-Y172 WeakPolarHBondContact O-CD2 3.2Å; M168-R489 PolarHBondContact SD-NH2 3.36Å; M168-R489 VanDerWaalsContact SD-NH2 3.39Å
169	E	94.4	Very high	91	Very high	51 Å²	51	30.8 Å²	30.8	24%	0.238	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-30.4	-170	-71	-64.9	136.7	0	0	114.2	R150 Y171 Y172 R173 L493	R150-E169 IonicContact CZ-OE1 3.9Å; R150-E169 IonicContact NH1-OE1 2.91Å; R150-E169 PolarHBondContact NH1-OE1 2.85Å; R150-E169 IonicContact NH2-OE1 3.82Å; R150-E169 PolarHBondContact NH2-OE1 2.58Å; R150-E169 IonicContact NH2-OE2 2.67Å; E169-Y171 VanDerWaalsContact C-N 3.28Å; E169-Y171 PolarHBondContact O-N 3.19Å; E169-Y172 PolarHBondContact O-N 3.36Å; E169-R173 VanDerWaalsContact O-CG 3.28Å; E169-R173 WeakPolarHBondContact O-CG 3.43Å; E169-R173 PolarHBondContact O-N 3.18Å; E169-L493 HydrophobicContact CB-CD2 4.35Å; E169-L493 HydrophobicContact CG-CD2 3.88Å
170	Q	95.2	Very high	92.3	Very high	5 Å²	5	28.5 Å²	28.5	2%	0.023	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-34.2	177.2	-62.5	-177.2	29.4	0	0	112.7	M168 R173 A373 A377	M168-Q170 VanDerWaalsContact C-N 3.27Å; M168-Q170 PolarHBondContact O-N 3.38Å; M168-Q170 VanDerWaalsContact O-N 3.16Å; Q170-R173 PolarHBondContact O-N 2.92Å; Q170-A373 HydrophobicContact CB-CB 3.99Å; Q170-A377 HydrophobicContact CB-CB 4.38Å
171	Y	94.1	Very high	93.5	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-65.8	-40	177.6	-66.9	-78.1	0	0	0	112	L147 L152 D155 M168 E169 R173 L174 A377 R380 R489	L147-Y171 WeakPolarHBondContact CD1-O 3.37Å; L152-Y171 HydrophobicContact CD2-CD1 3.65Å; L152-Y171 HydrophobicContact CD2-CD2 3.91Å; L152-Y171 HydrophobicContact CD2-CE1 4.07Å; L152-Y171 HydrophobicContact CD2-CE2 4.29Å; L152-Y171 HydrophobicContact CD2-CG 3.55Å; D155-Y171 VanDerWaalsContact OD2-CE2 3.23Å; D155-Y171 WeakPolarHBondContact OD2-CE2 3.25Å; D155-Y171 VanDerWaalsContact OD2-CZ 3.31Å; D155-Y171 PolarHBondContact OD2-OH 2.88Å; M168-Y171 HydrophobicContact CB-CD2 4.3Å; M168-Y171 HydrophobicContact CE-CD2 3.45Å; M168-Y171 VanDerWaalsContact CE-CD2 3.45Å; M168-Y171 HydrophobicContact CE-CE2 3.3Å; M168-Y171 HydrophobicContact CE-CG 4.43Å; M168-Y171 WeakPolarHBondContact O-CB 3.16Å; M168-Y171 WeakPolarHBondContact O-CD2 3.27Å; M168-Y171 PolarHBondContact O-N 3.39Å; M168-Y171 HydrophobicContact SD-CD2 4.12Å; M168-Y171 HydrophobicContact SD-CE2 3.86Å; E169-Y171 VanDerWaalsContact C-N 3.28Å; E169-Y171 PolarHBondContact O-N 3.19Å; Y171-R173 PolarHBondContact O-N 3.39Å; Y171-L174 WeakPolarHBondContact O-CG 3.27Å; Y171-L174 PolarHBondContact O-N 3.03Å; Y171-A377 HydrophobicContact CD1-CB 3.82Å; Y171-A377 HydrophobicContact CE1-CB 3.75Å; Y171-A377 HydrophobicContact CG-CB 4.36Å; Y171-R380 HydrophobicContact CE1-CB 4.07Å; Y171-R380 HydrophobicContact CE1-CG 4.35Å; Y171-R380 WeakPolarHBondContact OH-CD 3.38Å; Y171-R489 VanDerWaalsContact CE2-NH2 3.29Å
172	Y	93.4	Very high	94.5	Very high	39 Å²	39	24.7 Å²	24.7	15%	0.153	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-75.5	-5.3	-176.8	-54.1	-52.2	0	0	0	113.3	L147 R150 M168 E169 S176	L147-Y172 HydrophobicContact CB-CD1 4.1Å; L147-Y172 HydrophobicContact CD2-CD1 3.9Å; L147-Y172 HydrophobicContact CD2-CE1 4.05Å; L147-Y172 VanDerWaalsContact O-CD1 3.26Å; L147-Y172 WeakPolarHBondContact O-CD1 3.49Å; L147-Y172 WeakPolarHBondContact O-CE1 3.38Å; R150-Y172 HydrophobicContact CB-CE1 4.29Å; R150-Y172 HydrophobicContact CG-CD1 4.4Å; R150-Y172 HydrophobicContact CG-CE1 4.05Å; R150-Y172 HydrophobicContact CG-CE2 4.26Å; M168-Y172 HydrophobicContact CB-CD2 4.5Å; M168-Y172 HydrophobicContact CB-CE2 3.67Å; M168-Y172 WeakPolarHBondContact O-CD2 3.2Å; E169-Y172 PolarHBondContact O-N 3.36Å; Y172-S176 PolarHBondContact O-OG 3.46Å
173	R	95.2	Very high	95.2	Very high	55 Å²	55	23 Å²	23	21%	0.208	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-96.7	-17.5	179	-68.4	173.2	-167.2	-172.8	-0.8	113.7	E169 Q170 Y171 F175 S176 S177 T190 V372	E169-R173 VanDerWaalsContact O-CG 3.28Å; E169-R173 WeakPolarHBondContact O-CG 3.43Å; E169-R173 PolarHBondContact O-N 3.18Å; Q170-R173 PolarHBondContact O-N 2.92Å; Y171-R173 PolarHBondContact O-N 3.39Å; R173-F175 PolarHBondContact O-N 3.33Å; R173-S176 WeakPolarHBondContact CA-OG 3.3Å; R173-S176 PolarHBondContact O-N 3.42Å; R173-S176 VanDerWaalsContact O-N 3.11Å; R173-S176 PolarHBondContact O-OG 2.78Å; R173-S177 WeakPolarHBondContact CB-OG 3.37Å; R173-S177 WeakPolarHBondContact O-CB 3.47Å; R173-S177 PolarHBondContact O-N 3.16Å; R173-S177 VanDerWaalsContact O-N 3.09Å; R173-S177 PolarHBondContact O-OG 3.06Å; R173-S177 VanDerWaalsContact O-OG 3.14Å; R173-T190 HydrophobicContact CB-CG2 4.47Å; R173-T190 HydrophobicContact CG-CG2 3.83Å; R173-V372 HydrophobicContact CB-CG1 3.49Å; R173-V372 VanDerWaalsContact CB-CG1 3.49Å
174	L	95.6	Very high	95.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-32.1	-169.6	-60.6	174.7	0	0	0	113.5	Y171 T353 M354 A373 V378 L381	Y171-L174 WeakPolarHBondContact O-CG 3.27Å; Y171-L174 PolarHBondContact O-N 3.03Å; L174-T353 WeakPolarHBondContact O-CG2 3.36Å; L174-M354 HydrophobicContact CB-CE 4.35Å; L174-M354 HydrophobicContact CB-CG 4.36Å; L174-M354 HydrophobicContact CD2-CE 3.6Å; L174-M354 WeakPolarHBondContact O-CG 3.49Å; L174-A373 HydrophobicContact CD2-CB 3.72Å; L174-V378 HydrophobicContact CD2-CG2 4.27Å; L174-L381 HydrophobicContact CD1-CB 4.19Å; L174-L381 HydrophobicContact CD1-CD2 3.95Å
175	F	95.8	Very high	96	Very high	14 Å²	14	34.1 Å²	34.1	6%	0.061	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	8.6	-179.2	-56.9	-62.6	0	0	0	114.4	I140 Y143 K144 L147 R173 M289 F290 M354 F356 L381	I140-F175 HydrophobicContact CG2-CE1 3.75Å; I140-F175 HydrophobicContact CG2-CE2 4.24Å; I140-F175 HydrophobicContact CG2-CZ 3.57Å; Y143-F175 HydrophobicContact CD1-CE2 4.3Å; K144-F175 HydrophobicContact CB-CD2 4.39Å; K144-F175 HydrophobicContact CG-CD2 4.39Å; L147-F175 HydrophobicContact CD1-CD2 3.69Å; L147-F175 HydrophobicContact CD1-CE2 3.77Å; R173-F175 PolarHBondContact O-N 3.33Å; F175-M289 WeakPolarHBondContact CA-O 3.5Å; F175-F290 HydrophobicContact CD1-CB 4.17Å; F175-F290 HydrophobicContact CD1-CD1 4.12Å; F175-F290 HydrophobicContact CE1-CB 4.3Å; F175-F290 HydrophobicContact CE1-CD1 4.13Å; F175-M354 HydrophobicContact CD1-CB 4.43Å; F175-M354 HydrophobicContact CD1-CG 4.24Å; F175-M354 HydrophobicContact CE1-CB 4.19Å; F175-M354 HydrophobicContact CE1-CG 4Å; F175-F356 HydrophobicContact CE1-CE2 4.14Å; F175-F356 HydrophobicContact CE1-CZ 4.38Å; F175-L381 HydrophobicContact CE1-CD2 4.39Å; F175-L381 HydrophobicContact CE2-CD1 3.94Å; F175-L381 HydrophobicContact CE2-CD2 4.26Å; F175-L381 HydrophobicContact CZ-CD1 3.76Å; F175-L381 HydrophobicContact CZ-CD2 3.64Å; F175-L381 HydrophobicContact CZ-CG 4.37Å
176	S	94.2	Very high	96.3	Very high	32 Å²	32	33.5 Å²	33.5	22%	0.224	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-2.1	-175.4	56.4	0	0	0	0	113.1	Y172 R173 T190 T191	Y172-S176 PolarHBondContact O-OG 3.46Å; R173-S176 WeakPolarHBondContact CA-OG 3.3Å; R173-S176 PolarHBondContact O-N 3.42Å; R173-S176 VanDerWaalsContact O-N 3.11Å; R173-S176 PolarHBondContact O-OG 2.78Å; S176-T190 WeakPolarHBondContact O-CA 3.38Å; S176-T191 WeakPolarHBondContact CB-O 3.14Å; S176-T191 PolarHBondContact O-N 3.37Å
177	S	97.2	Very high	96.5	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.007	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	157.1	178.6	-61.8	0	0	0	0	113.5	R173 V189 T190 K352 T353	R173-S177 WeakPolarHBondContact CB-OG 3.37Å; R173-S177 WeakPolarHBondContact O-CB 3.47Å; R173-S177 PolarHBondContact O-N 3.16Å; R173-S177 VanDerWaalsContact O-N 3.09Å; R173-S177 PolarHBondContact O-OG 3.06Å; R173-S177 VanDerWaalsContact O-OG 3.14Å; S177-V189 CarbonylContact C-O 3.56Å; S177-V189 WeakPolarHBondContact CA-O 3.27Å; S177-T190 PolarHBondContact OG-OG1 3.46Å; S177-K352 PolarHBondContact O-NZ 2.87Å; S177-K352 VanDerWaalsContact O-NZ 3.15Å; S177-T353 VanDerWaalsContact C-OG1 3.25Å; S177-T353 WeakPolarHBondContact CB-OG1 3.32Å; S177-T353 PolarHBondContact O-OG1 3.06Å
178	Y	98.4	Very high	96.7	Very high	6 Å²	6	36.3 Å²	36.3	2%	0.024	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	139.5	173.5	-173	-89.3	0	0	0	109.7	Y180 V189 A286 W349 D351 K352	Y178-Y180 AromaticContact CD1-CD1 3.9Å; Y178-Y180 HydrophobicContact CD1-CD1 3.9Å; Y178-Y180 AromaticContact CD1-CD2 3.68Å; Y178-Y180 HydrophobicContact CD1-CD2 3.68Å; Y178-Y180 AromaticContact CD1-CE1 3.77Å; Y178-Y180 HydrophobicContact CD1-CE1 3.77Å; Y178-Y180 AromaticContact CD1-CE2 3.55Å; Y178-Y180 HydrophobicContact CD1-CE2 3.55Å; Y178-Y180 AromaticContact CD1-CG 3.86Å; Y178-Y180 HydrophobicContact CD1-CG 3.86Å; Y178-Y180 AromaticContact CD1-CZ 3.6Å; Y178-Y180 AromaticContact CE1-CD1 3.67Å; Y178-Y180 HydrophobicContact CE1-CD1 3.67Å; Y178-Y180 HydrophobicContact CE1-CD2 4.26Å; Y178-Y180 AromaticContact CE1-CE1 3.71Å; Y178-Y180 HydrophobicContact CE1-CE1 3.71Å; Y178-Y180 HydrophobicContact CE1-CE2 4.31Å; Y178-Y180 AromaticContact CE1-CG 3.96Å; Y178-Y180 HydrophobicContact CE1-CG 3.96Å; Y178-Y180 HydrophobicContact CG-CE2 4.4Å; Y178-V189 PolarHBondContact N-O 3.39Å; Y178-V189 PolarHBondContact O-N 2.68Å; Y178-A286 HydrophobicContact CD1-CB 4Å; Y178-A286 VanDerWaalsContact CD2-CA 3.48Å; Y178-A286 HydrophobicContact CD2-CB 3.83Å; Y178-A286 HydrophobicContact CE1-CB 4.14Å; Y178-A286 HydrophobicContact CE2-CB 3.93Å; Y178-A286 HydrophobicContact CG-CB 3.84Å; Y178-W349 AromaticContact CE2-CD1 3.99Å; Y178-W349 AromaticContact CE2-NE1 3.53Å; Y178-W349 AromaticContact CZ-NE1 3.6Å; Y178-W349 PolarHBondContact OH-NE1 3.19Å; Y178-D351 HydrophobicContact CD2-CB 4.49Å; Y178-D351 HydrophobicContact CE1-CB 3.89Å; Y178-D351 HydrophobicContact CE2-CB 3.7Å; Y178-D351 WeakPolarHBondContact OH-CB 3.42Å; Y178-D351 PolarHBondContact OH-OD2 3.36Å; Y178-D351 VanDerWaalsContact OH-OD2 3.07Å; Y178-K352 HydrophobicContact CD2-CD 3.88Å
179	R	98.5	Very high	96.8	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.008	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	109.2	177.7	-178.8	176.2	171.8	171.8	0.5	110.4	Y101 L102 S112 D186 L188 D351 E369	Y101-R179 PolarHBondContact O-NH2 2.88Å; L102-R179 HydrophobicContact CD2-CG 4.35Å; S112-R179 PolarHBondContact OG-NH1 3.38Å; R179-D186 HydrophobicContact CG-CB 4.21Å; R179-D186 IonicContact CZ-OD2 3.78Å; R179-D186 VanDerWaalsContact CZ-OD2 3.28Å; R179-D186 IonicContact NE-OD2 3.59Å; R179-D186 PolarHBondContact NE-OD2 2.89Å; R179-D186 IonicContact NH2-OD2 2.66Å; R179-D186 PolarHBondContact NH2-OD2 3.49Å; R179-L188 HydrophobicContact CB-CD1 4.24Å; R179-D351 PolarHBondContact N-O 2.94Å; R179-D351 VanDerWaalsContact N-O 3.13Å; R179-D351 VanDerWaalsContact O-CB 3.3Å; R179-D351 WeakPolarHBondContact O-CB 3.31Å; R179-E369 HydrophobicContact CB-CG 4.06Å; R179-E369 VanDerWaalsContact CD-CD 3.46Å; R179-E369 WeakPolarHBondContact CD-OE1 3.39Å; R179-E369 IonicContact CZ-OE1 3.42Å; R179-E369 IonicContact NE-OE1 3.49Å; R179-E369 IonicContact NH1-OE1 2.68Å; R179-E369 PolarHBondContact NH1-OE1 2.96Å
180	Y	98.7	Very high	96.9	Very high	65 Å²	65	37.7 Å²	37.7	26%	0.255	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	137.7	175.8	-67.8	-87.1	0	0	0	110.9	Y178 D186 V187 V189 Y269 A286	Y178-Y180 AromaticContact CD1-CD1 3.9Å; Y178-Y180 HydrophobicContact CD1-CD1 3.9Å; Y178-Y180 AromaticContact CD1-CD2 3.68Å; Y178-Y180 HydrophobicContact CD1-CD2 3.68Å; Y178-Y180 AromaticContact CD1-CE1 3.77Å; Y178-Y180 HydrophobicContact CD1-CE1 3.77Å; Y178-Y180 AromaticContact CD1-CE2 3.55Å; Y178-Y180 HydrophobicContact CD1-CE2 3.55Å; Y178-Y180 AromaticContact CD1-CG 3.86Å; Y178-Y180 HydrophobicContact CD1-CG 3.86Å; Y178-Y180 AromaticContact CD1-CZ 3.6Å; Y178-Y180 AromaticContact CE1-CD1 3.67Å; Y178-Y180 HydrophobicContact CE1-CD1 3.67Å; Y178-Y180 HydrophobicContact CE1-CD2 4.26Å; Y178-Y180 AromaticContact CE1-CE1 3.71Å; Y178-Y180 HydrophobicContact CE1-CE1 3.71Å; Y178-Y180 HydrophobicContact CE1-CE2 4.31Å; Y178-Y180 AromaticContact CE1-CG 3.96Å; Y178-Y180 HydrophobicContact CE1-CG 3.96Å; Y178-Y180 HydrophobicContact CG-CE2 4.4Å; Y180-D186 WeakPolarHBondContact O-CA 3.34Å; Y180-D186 VanDerWaalsContact O-CB 3.24Å; Y180-D186 WeakPolarHBondContact O-CB 3.49Å; Y180-V187 PolarHBondContact N-O 2.76Å; Y180-V187 PolarHBondContact O-N 2.81Å; Y180-V189 HydrophobicContact CD2-CB 4.2Å; Y180-V189 HydrophobicContact CD2-CG2 3.67Å; Y180-V189 HydrophobicContact CE2-CB 3.85Å; Y180-V189 HydrophobicContact CE2-CG2 3.65Å; Y180-Y269 HydrophobicContact CD1-CE1 4.5Å; Y180-Y269 HydrophobicContact CD1-CE2 4.47Å; Y180-Y269 AromaticContact CD1-CZ 3.98Å; Y180-Y269 WeakPolarHBondContact CE1-OH 3.02Å; Y180-A286 HydrophobicContact CE1-CB 4.32Å; Y180-A286 WeakPolarHBondContact OH-CB 3.28Å
181	P	98.6	Very high	96.5	Very high	16 Å²	16	41.3 Å²	41.3	10%	0.104	22%	0.215	C	C	.	.			trans	-67.1	144.2	171.7	31.4	-37.4	0	0	0	111.2	D186 W265 A266 Y269	P181-D186 VanDerWaalsContact CA-OD1 3.3Å; P181-D186 WeakPolarHBondContact CA-OD1 3.31Å; P181-W265 HydrophobicContact CB-CB 4.02Å; P181-W265 VanDerWaalsContact CB-CD1 3.42Å; P181-W265 HydrophobicContact CB-CG 3.84Å; P181-W265 VanDerWaalsContact CG-CD1 3.44Å; P181-W265 HydrophobicContact CG-CD2 4.32Å; P181-W265 HydrophobicContact CG-CG 3.88Å; P181-A266 HydrophobicContact CB-CB 4.04Å; P181-Y269 HydrophobicContact CG-CD2 3.88Å; P181-Y269 HydrophobicContact CG-CG 3.91Å
182	G	98.5	Very high	95.8	Very high	14 Å²	14	47.4 Å²	47.4	14%	0.144	25%	0.253	C	S	.	.			trans	-136.8	149.6	170.9	0	0	0	0	0	112.8	N184 K185 D186 A266	G182-N184 VanDerWaalsContact C-N 3.3Å; G182-N184 PolarHBondContact O-N 3.17Å; G182-K185 WeakPolarHBondContact CA-O 3.39Å; G182-D186 PolarHBondContact N-OD1 2.94Å; G182-A266 VanDerWaalsContact C-CB 3.4Å
183	K	97.8	Very high	94.9	Very high	97 Å²	97	53.6 Å²	53.6	42%	0.422	28%	0.283	S	S	.	.	S	Bend	trans	-60.7	-39.5	-176.9	-68.2	179.7	-178.7	163.7	0	113.1	N263 A266 E270	K183-N263 WeakPolarHBondContact O-CB 3.43Å; K183-A266 HydrophobicContact CG-CB 3.92Å; K183-E270 VanDerWaalsContact CE-CD 3.46Å; K183-E270 WeakPolarHBondContact CE-OE1 3.39Å; K183-E270 WeakPolarHBondContact CE-OE2 3.49Å; K183-E270 IonicContact NZ-OE1 3Å; K183-E270 PolarHBondContact NZ-OE1 2.95Å; K183-E270 IonicContact NZ-OE2 3.9Å; K183-E270 PolarHBondContact NZ-OE2 3.41Å
184	N	97.4	Very high	93.8	Very high	152 Å²	152	56.2 Å²	56.2	81%	0.813	29%	0.293	S	S	*	.	S	Bend	trans	-112.1	-30.4	179.6	-58.7	-50.8	0	0	0	112.6	G182	G182-N184 VanDerWaalsContact C-N 3.3Å; G182-N184 PolarHBondContact O-N 3.17Å
185	K	98.1	Very high	93	Very high	85 Å²	85	60 Å²	60	37%	0.37	31%	0.313	S	S	.	.	S	Bend	trans	-157.3	130.1	-177.1	-167.3	178.4	79.4	150.3	0	109.6	D98 L102 L103 G182	D98-K185 HydrophobicContact CB-CD 4.47Å; D98-K185 WeakPolarHBondContact OD1-CD 3.28Å; D98-K185 IonicContact OD1-NZ 3.47Å; D98-K185 PolarHBondContact OD1-NZ 2.95Å; D98-K185 IonicContact OD2-NZ 3.31Å; D98-K185 PolarHBondContact OD2-NZ 3.03Å; L102-K185 HydrophobicContact CB-CG 4.02Å; L102-K185 WeakPolarHBondContact O-CA 3.34Å; L103-K185 HydrophobicContact CD2-CB 3.83Å; L103-K185 HydrophobicContact CD2-CD 3.75Å; L103-K185 HydrophobicContact CD2-CG 3.63Å; L103-K185 HydrophobicContact CG-CD 4.08Å; L103-K185 HydrophobicContact CG-CG 4.05Å; G182-K185 WeakPolarHBondContact CA-O 3.39Å
186	D	98.8	Very high	91.9	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.011	34%	0.343	C	S	.	.			trans	-66.7	161.8	171.5	-76	4.1	0	0	0	111.4	L102 R179 Y180 P181 G182 R262	L102-D186 HydrophobicContact CB-CB 4.26Å; L102-D186 HydrophobicContact CD2-CB 4.05Å; L102-D186 PolarHBondContact O-N 3.39Å; R179-D186 HydrophobicContact CG-CB 4.21Å; R179-D186 IonicContact CZ-OD2 3.78Å; R179-D186 VanDerWaalsContact CZ-OD2 3.28Å; R179-D186 IonicContact NE-OD2 3.59Å; R179-D186 PolarHBondContact NE-OD2 2.89Å; R179-D186 IonicContact NH2-OD2 2.66Å; R179-D186 PolarHBondContact NH2-OD2 3.49Å; Y180-D186 WeakPolarHBondContact O-CA 3.34Å; Y180-D186 VanDerWaalsContact O-CB 3.24Å; Y180-D186 WeakPolarHBondContact O-CB 3.49Å; P181-D186 VanDerWaalsContact CA-OD1 3.3Å; P181-D186 WeakPolarHBondContact CA-OD1 3.31Å; G182-D186 PolarHBondContact N-OD1 2.94Å; D186-R262 IonicContact OD1-NE 2.95Å; D186-R262 IonicContact OD2-CZ 2.67Å; D186-R262 IonicContact OD2-NE 2.88Å; D186-R262 PolarHBondContact OD2-NE 3.23Å; D186-R262 IonicContact OD2-NH2 3.31Å; D186-R262 PolarHBondContact OD2-NH2 3.36Å
187	V	98.4	Very high	91.1	Very high	78 Å²	78	70.3 Å²	70.3	47%	0.473	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	117.7	176.3	-176.3	0	0	0	0	109.1	Y180 V189	Y180-V187 PolarHBondContact N-O 2.76Å; Y180-V187 PolarHBondContact O-N 2.81Å; V187-V189 HydrophobicContact CG1-CG2 3.88Å
188	L	98.1	Very high	90.5	Very high	32 Å²	32	73.5 Å²	73.5	17%	0.168	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	117.9	169.4	-177.7	67.3	0	0	0	109.9	L97 L102 R179 V372	L97-L188 HydrophobicContact CD2-CD2 3.96Å; L102-L188 HydrophobicContact CD1-CB 4.21Å; L102-L188 HydrophobicContact CD2-CB 4.09Å; R179-L188 HydrophobicContact CB-CD1 4.24Å; L188-V372 HydrophobicContact CD1-CG2 3.52Å; L188-V372 HydrophobicContact CD2-CG2 4.17Å; L188-V372 HydrophobicContact CG-CG2 4.45Å
189	V	97.3	Very high	90	Very high	53 Å²	53	75.5 Å²	75.5	32%	0.321	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.9	177.3	178.3	0	0	0	0	108.9	S177 Y178 Y180 V187	S177-V189 CarbonylContact C-O 3.56Å; S177-V189 WeakPolarHBondContact CA-O 3.27Å; Y178-V189 PolarHBondContact N-O 3.39Å; Y178-V189 PolarHBondContact O-N 2.68Å; Y180-V189 HydrophobicContact CD2-CB 4.2Å; Y180-V189 HydrophobicContact CD2-CG2 3.67Å; Y180-V189 HydrophobicContact CE2-CB 3.85Å; Y180-V189 HydrophobicContact CE2-CG2 3.65Å; V187-V189 HydrophobicContact CG1-CG2 3.88Å
190	T	94.9	Very high	89.8	Confident	43 Å²	43	77 Å²	77	26%	0.264	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	119.1	168.8	-58.5	0	0	0	0	108	R173 S176 S177 T192	R173-T190 HydrophobicContact CB-CG2 4.47Å; R173-T190 HydrophobicContact CG-CG2 3.83Å; S176-T190 WeakPolarHBondContact O-CA 3.38Å; S177-T190 PolarHBondContact OG-OG1 3.46Å; T190-T192 HydrophobicContact CG2-CG2 4.46Å; T190-T192 PolarHBondContact O-N 3.06Å
191	T	88.6	Confident	89.6	Confident	80 Å²	80	74.8 Å²	74.8	49%	0.491	40%	0.395	S	S	.	.			trans	-83.2	111.4	177.9	-56.7	0	0	0	0	109.7	S176 E193	S176-T191 WeakPolarHBondContact CB-O 3.14Å; S176-T191 PolarHBondContact O-N 3.37Å; T191-E193 WeakPolarHBondContact CG2-O 3.14Å
192	T	78	Confident	89.6	Confident	129 Å²	129	74 Å²	74	79%	0.791	39%	0.39	S	S	*	.			trans	-98.3	-26.2	178.1	50	0	0	0	0	113.2	T190	T190-T192 HydrophobicContact CG2-CG2 4.46Å; T190-T192 PolarHBondContact O-N 3.06Å
193	E	74.8	Confident	89.6	Confident	169 Å²	169	73.4 Å²	73.4	79%	0.79	38%	0.383	S	S	*	.			trans	-108.7	137.3	179.5	-65.4	180	-174.1	0	0	109.9	T191	T191-E193 WeakPolarHBondContact CG2-O 3.14Å
194	R	72.9	Confident	89.7	Confident	110 Å²	110	68.8 Å²	68.8	42%	0.415	36%	0.363	S	S	.	.			trans	-143.2	142.4	-178.2	-172.7	165.7	-177.7	-87	-11.3	110.3	P196 D198 P199 E200	R194-P196 WeakPolarHBondContact O-CD 3.42Å; R194-D198 PolarHBondContact NH1-O 3.06Å; R194-D198 PolarHBondContact NH2-O 3.48Å; R194-P199 PolarHBondContact NH2-O 3.02Å; R194-E200 IonicContact NH1-OE1 3.6Å; R194-E200 VanDerWaalsContact NH2-N 3.17Å
195	D	77.9	Confident	89.8	Confident	80 Å²	80	61.5 Å²	61.5	43%	0.428	32%	0.324	S	S	.	.			trans	-67.2	120.5	169.8	-168.6	-33.7	0	0	0	108.7	F197 D198	D195-F197 PolarHBondContact O-N 3.24Å; D195-F197 VanDerWaalsContact O-N 3.11Å; D195-F197 WeakPolarHBondContact OD1-CB 3.16Å; D195-F197 VanDerWaalsContact OD1-CD2 3.26Å; D195-F197 WeakPolarHBondContact OD1-CD2 3.44Å; D195-F197 PolarHBondContact OD1-N 3.39Å; D195-D198 HydrophobicContact CB-CB 4.33Å; D195-D198 PolarHBondContact O-N 2.9Å; D195-D198 VanDerWaalsContact O-N 3.11Å
196	P	72.9	Confident	89.8	Confident	104 Å²	104	59 Å²	59	68%	0.675	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-15.2	179.1	26.9	-35.9	0	0	0	113.7	R194	R194-P196 WeakPolarHBondContact O-CD 3.42Å
197	F	77.1	Confident	89.7	Confident	158 Å²	158	61.2 Å²	61.2	69%	0.693	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-14.8	176.8	-58.6	-71	0	0	0	113.7	D195	D195-F197 PolarHBondContact O-N 3.24Å; D195-F197 VanDerWaalsContact O-N 3.11Å; D195-F197 WeakPolarHBondContact OD1-CB 3.16Å; D195-F197 VanDerWaalsContact OD1-CD2 3.26Å; D195-F197 WeakPolarHBondContact OD1-CD2 3.44Å; D195-F197 PolarHBondContact OD1-N 3.39Å
198	D	85.3	Confident	89.7	Confident	69 Å²	69	58.4 Å²	58.4	37%	0.369	31%	0.306	S	S	.	.	S	Bend	trans	-65.7	133.4	175.2	-85	-9.4	0	0	0	109.6	R194 D195	R194-D198 PolarHBondContact NH1-O 3.06Å; R194-D198 PolarHBondContact NH2-O 3.48Å; D195-D198 HydrophobicContact CB-CB 4.33Å; D195-D198 PolarHBondContact O-N 2.9Å; D195-D198 VanDerWaalsContact O-N 3.11Å
199	P	88.4	Confident	89.7	Confident	47 Å²	47	57 Å²	57	31%	0.305	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-66.7	140.2	170.2	28.4	-33.2	0	0	0	110.3	R194 D214 I216 T217	R194-P199 PolarHBondContact NH2-O 3.02Å; P199-D214 HydrophobicContact CB-CB 4.19Å; P199-I216 CarbonylContact C-O 3.52Å; P199-I216 WeakPolarHBondContact CA-O 3.4Å; P199-T217 HydrophobicContact CB-CG2 4.44Å
200	E	92.4	Very high	89.7	Confident	33 Å²	33	54.6 Å²	54.6	15%	0.154	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	126.6	172	-58.9	178.2	-109.6	0	0	109.6	K144 R194 V215 I216 M289	K144-E200 VanDerWaalsContact CE-OE2 3.29Å; K144-E200 WeakPolarHBondContact CE-OE2 3.46Å; K144-E200 IonicContact NZ-OE2 2.81Å; K144-E200 PolarHBondContact NZ-OE2 3.44Å; R194-E200 IonicContact NH1-OE1 3.6Å; R194-E200 VanDerWaalsContact NH2-N 3.17Å; E200-V215 VanDerWaalsContact O-CG2 3.24Å; E200-V215 WeakPolarHBondContact O-CG2 3.4Å; E200-V215 PolarHBondContact O-N 2.97Å; E200-I216 HydrophobicContact CB-CB 4.04Å; E200-I216 HydrophobicContact CB-CG1 4.46Å; E200-I216 HydrophobicContact CG-CB 4.42Å; E200-I216 PolarHBondContact N-O 3.38Å; E200-I216 PolarHBondContact O-N 2.96Å; E200-I216 VanDerWaalsContact O-N 3.08Å; E200-M289 HydrophobicContact CB-CE 3.18Å; E200-M289 HydrophobicContact CG-CE 3.86Å; E200-M289 WeakPolarHBondContact OE2-CE 3.42Å
201	H	96.1	Very high	89.9	Confident	20 Å²	20	52.6 Å²	52.6	9%	0.093	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	161.7	-173.8	68.1	-78.2	0	0	0	112.8	V212 I213 D214 T284 S288 M289	H201-V212 HydrophobicContact CB-CG1 3.83Å; H201-I213 CarbonylContact C-O 3.5Å; H201-I213 WeakPolarHBondContact CA-O 3.42Å; H201-I213 WeakPolarHBondContact CB-O 3.47Å; H201-D214 WeakPolarHBondContact CB-OD1 3.4Å; H201-T284 PolarHBondContact NE2-O 3.11Å; H201-S288 WeakPolarHBondContact NE2-CA 3.45Å; H201-S288 WeakPolarHBondContact O-CA 3.4Å; H201-M289 PolarHBondContact O-N 3.48Å
202	I	98.6	Very high	90.4	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	159.9	168.1	65.6	172.1	0	0	0	109.4	I137 V204 I213 V215 M289 F290	I137-I202 HydrophobicContact CD1-CD1 3.65Å; I137-I202 HydrophobicContact CG1-CD1 4.11Å; I137-I202 HydrophobicContact CG2-CD1 4.34Å; I202-V204 HydrophobicContact CD1-CG2 3.97Å; I202-V204 HydrophobicContact CG1-CG2 4.26Å; I202-I213 HydrophobicContact CG1-CB 4.09Å; I202-I213 PolarHBondContact N-O 3.19Å; I202-I213 PolarHBondContact O-N 3.48Å; I202-I213 VanDerWaalsContact O-N 3.12Å; I202-V215 HydrophobicContact CD1-CG1 4.13Å; I202-V215 HydrophobicContact CG1-CG1 3.99Å; I202-V215 HydrophobicContact CG2-CG1 4.28Å; I202-V215 HydrophobicContact CG2-CG2 4.11Å; I202-M289 HydrophobicContact CG2-CB 4.33Å; I202-F290 HydrophobicContact CB-CE2 4.4Å; I202-F290 HydrophobicContact CB-CZ 4.43Å; I202-F290 HydrophobicContact CD1-CE2 4.31Å; I202-F290 HydrophobicContact CD1-CZ 4.34Å; I202-F290 HydrophobicContact CG2-CD1 3.97Å; I202-F290 HydrophobicContact CG2-CD2 4.36Å; I202-F290 HydrophobicContact CG2-CE1 3.55Å; I202-F290 HydrophobicContact CG2-CE2 4Å; I202-F290 HydrophobicContact CG2-CG 4.36Å; I202-F290 HydrophobicContact CG2-CZ 3.59Å
203	I	98.9	Very high	91.4	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	131.3	165.6	-60.1	-58.4	0	0	0	108.4	I205 F210 F211 V212 T284 I285 F290 V291 L292 L412	I203-I205 HydrophobicContact CG2-CG1 3.95Å; I203-F210 HydrophobicContact CG2-CD1 3.8Å; I203-F210 HydrophobicContact CG2-CE1 4.5Å; I203-F211 CarbonylContact C-O 3.52Å; I203-F211 WeakPolarHBondContact CA-O 3.31Å; I203-V212 HydrophobicContact CD1-CG2 3.86Å; I203-T284 HydrophobicContact CD1-CG2 4.34Å; I203-I285 HydrophobicContact CD1-CG1 4.14Å; I203-I285 HydrophobicContact CG1-CB 4.45Å; I203-I285 HydrophobicContact CG1-CG1 4.16Å; I203-I285 HydrophobicContact CG1-CG2 4.47Å; I203-F290 PolarHBondContact N-O 2.88Å; I203-V291 HydrophobicContact CB-CG2 4.01Å; I203-V291 HydrophobicContact CG2-CG2 4.42Å; I203-V291 CarbonylContact O-C 3.59Å; I203-V291 WeakPolarHBondContact O-CA 3.36Å; I203-L292 PolarHBondContact O-N 3.43Å; I203-L412 HydrophobicContact CD1-CD1 4.45Å
204	V	98.9	Very high	92.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	127.4	168	-174.5	0	0	0	0	108.2	I202 F211 I213 L231 V234 L292 L294	I202-V204 HydrophobicContact CD1-CG2 3.97Å; I202-V204 HydrophobicContact CG1-CG2 4.26Å; V204-F211 PolarHBondContact N-O 2.84Å; V204-F211 PolarHBondContact O-N 2.87Å; V204-I213 HydrophobicContact CB-CD1 4.46Å; V204-I213 HydrophobicContact CG2-CD1 3.51Å; V204-I213 HydrophobicContact CG2-CG1 4.23Å; V204-L231 HydrophobicContact CG1-CD2 4.08Å; V204-L231 HydrophobicContact CG2-CD2 3.91Å; V204-V234 HydrophobicContact CB-CG1 4.36Å; V204-V234 HydrophobicContact CG1-CG1 3.88Å; V204-L292 CarbonylContact C-O 3.56Å; V204-L292 WeakPolarHBondContact CA-O 3.48Å; V204-L292 HydrophobicContact CG1-CD2 4.34Å; V204-L292 HydrophobicContact CG2-CB 4.34Å; V204-L292 HydrophobicContact CG2-CD2 4.38Å; V204-L294 HydrophobicContact CG1-CD1 3.97Å; V204-L294 HydrophobicContact CG1-CG 4.23Å
205	I	98.8	Very high	93.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	126.1	175.3	-38.9	172.1	0	0	0	108.1	I203 Q209 F210 V291 L292 L294 N347 W349	I203-I205 HydrophobicContact CG2-CG1 3.95Å; I205-Q209 WeakPolarHBondContact CA-O 3.39Å; I205-F210 HydrophobicContact CD1-CD1 4.01Å; I205-F210 HydrophobicContact CD1-CE1 3.35Å; I205-F210 HydrophobicContact CD1-CE2 4.25Å; I205-F210 HydrophobicContact CD1-CZ 3.48Å; I205-F210 VanDerWaalsContact CD1-CZ 3.48Å; I205-F210 HydrophobicContact CG1-CD1 3.86Å; I205-F210 HydrophobicContact CG1-CE1 3.74Å; I205-F210 HydrophobicContact CG1-CE2 4.41Å; I205-F210 HydrophobicContact CG1-CG 4.25Å; I205-F210 HydrophobicContact CG1-CZ 4.02Å; I205-F210 HydrophobicContact CG2-CD2 3.81Å; I205-F210 HydrophobicContact CG2-CE1 4.45Å; I205-F210 HydrophobicContact CG2-CE2 3.62Å; I205-F210 HydrophobicContact CG2-CG 4.28Å; I205-F210 HydrophobicContact CG2-CZ 3.97Å; I205-V291 HydrophobicContact CD1-CG1 3.47Å; I205-V291 VanDerWaalsContact CD1-CG1 3.47Å; I205-V291 HydrophobicContact CG1-CG1 3.82Å; I205-L292 PolarHBondContact N-O 3.41Å; I205-L294 PolarHBondContact O-N 2.92Å; I205-N347 VanDerWaalsContact C-OD1 3.32Å; I205-N347 WeakPolarHBondContact CG2-OD1 3.13Å; I205-N347 PolarHBondContact O-OD1 3.39Å; I205-W349 HydrophobicContact CD1-CB 4.43Å
206	Y	98.4	Very high	93.8	Very high	33 Å²	33	30.3 Å²	30.3	13%	0.129	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	131.5	175	-179.8	-121.8	0	0	0	108.9	D208 Q209 T235 A238 E239 L294 N347	Y206-D208 PolarHBondContact O-N 3.09Å; Y206-Q209 PolarHBondContact N-O 3.3Å; Y206-Q209 VanDerWaalsContact N-O 3.1Å; Y206-Q209 VanDerWaalsContact O-CB 3.29Å; Y206-Q209 WeakPolarHBondContact O-CB 3.43Å; Y206-Q209 PolarHBondContact O-N 3.31Å; Y206-T235 HydrophobicContact CD1-CG2 3.86Å; Y206-T235 HydrophobicContact CE1-CG2 3.81Å; Y206-T235 HydrophobicContact CG-CG2 4.26Å; Y206-A238 HydrophobicContact CD1-CB 3.66Å; Y206-A238 HydrophobicContact CE1-CB 4.28Å; Y206-E239 HydrophobicContact CE1-CG 3.97Å; Y206-E239 WeakPolarHBondContact CE1-OE1 3.43Å; Y206-E239 PolarHBondContact OH-OE1 3.32Å; Y206-L294 HydrophobicContact CD2-CB 3.64Å; Y206-L294 WeakPolarHBondContact CD2-O 3.33Å; Y206-L294 HydrophobicContact CE2-CB 4.48Å; Y206-L294 HydrophobicContact CG-CB 4.24Å; Y206-N347 PolarHBondContact N-OD1 2.82Å
207	L	97.1	Very high	94.4	Very high	48 Å²	48	28.1 Å²	28.1	25%	0.251	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	40.2	-174.1	-57.1	176.7	0	0	0	112.7	Q209 A238 E239 V242	L207-Q209 WeakPolarHBondContact O-CG 3.29Å; L207-Q209 PolarHBondContact O-N 2.82Å; L207-Q209 VanDerWaalsContact O-N 3.09Å; L207-Q209 PolarHBondContact O-NE2 3.5Å; L207-A238 HydrophobicContact CD1-CB 4.38Å; L207-E239 HydrophobicContact CD1-CG 4.18Å; L207-V242 HydrophobicContact CD1-CG2 4.23Å
208	D	98.1	Very high	94.5	Very high	18 Å²	18	26.7 Å²	26.7	10%	0.096	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	8.1	-176.5	-49.1	-30.2	0	0	0	114.2	Y206 F210 R253 A346 N347	Y206-D208 PolarHBondContact O-N 3.09Å; D208-F210 WeakPolarHBondContact O-CD2 3.46Å; D208-R253 HydrophobicContact CB-CB 4.36Å; D208-R253 HydrophobicContact CB-CG 4.23Å; D208-R253 IonicContact OD2-CZ 3.87Å; D208-R253 VanDerWaalsContact OD2-CZ 3.32Å; D208-R253 IonicContact OD2-NE 3.03Å; D208-R253 PolarHBondContact OD2-NE 2.9Å; D208-R253 IonicContact OD2-NH2 2.74Å; D208-R253 PolarHBondContact OD2-NH2 3.42Å; D208-A346 HydrophobicContact CB-CB 4.26Å; D208-A346 VanDerWaalsContact OD1-C 3.26Å; D208-N347 PolarHBondContact N-OD1 3.31Å; D208-N347 WeakPolarHBondContact OD1-CA 3.22Å; D208-N347 WeakPolarHBondContact OD1-CB 3.31Å; D208-N347 PolarHBondContact OD1-N 2.94Å
209	Q	98	Very high	94	Very high	3 Å²	3	26.9 Å²	26.9	1%	0.014	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.9	179	-51.2	-54.7	-70.9	0	0	110.6	I205 Y206 L207 F211 A238 Q251	I205-Q209 WeakPolarHBondContact CA-O 3.39Å; Y206-Q209 PolarHBondContact N-O 3.3Å; Y206-Q209 VanDerWaalsContact N-O 3.1Å; Y206-Q209 VanDerWaalsContact O-CB 3.29Å; Y206-Q209 WeakPolarHBondContact O-CB 3.43Å; Y206-Q209 PolarHBondContact O-N 3.31Å; L207-Q209 WeakPolarHBondContact O-CG 3.29Å; L207-Q209 PolarHBondContact O-N 2.82Å; L207-Q209 VanDerWaalsContact O-N 3.09Å; L207-Q209 PolarHBondContact O-NE2 3.5Å; Q209-F211 HydrophobicContact CB-CD2 4.44Å; Q209-F211 HydrophobicContact CB-CE2 3.61Å; Q209-F211 HydrophobicContact CB-CZ 4.24Å; Q209-F211 WeakPolarHBondContact O-CD2 3.49Å; Q209-A238 HydrophobicContact CB-CB 4.37Å; Q209-A238 HydrophobicContact CG-CB 4.22Å; Q209-Q251 PolarHBondContact NE2-O 3.01Å; Q209-Q251 VanDerWaalsContact NE2-O 3.1Å; Q209-Q251 VanDerWaalsContact OE1-CB 3.29Å
210	F	98.7	Very high	93.8	Very high	3 Å²	3	28.8 Å²	28.8	1%	0.013	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.3	-172.5	-73.2	-117.6	0	0	0	111.3	I203 I205 D208 V254 I285 W349 R411 L412	I203-F210 HydrophobicContact CG2-CD1 3.8Å; I203-F210 HydrophobicContact CG2-CE1 4.5Å; I205-F210 HydrophobicContact CD1-CD1 4.01Å; I205-F210 HydrophobicContact CD1-CE1 3.35Å; I205-F210 HydrophobicContact CD1-CE2 4.25Å; I205-F210 HydrophobicContact CD1-CZ 3.48Å; I205-F210 VanDerWaalsContact CD1-CZ 3.48Å; I205-F210 HydrophobicContact CG1-CD1 3.86Å; I205-F210 HydrophobicContact CG1-CE1 3.74Å; I205-F210 HydrophobicContact CG1-CE2 4.41Å; I205-F210 HydrophobicContact CG1-CG 4.25Å; I205-F210 HydrophobicContact CG1-CZ 4.02Å; I205-F210 HydrophobicContact CG2-CD2 3.81Å; I205-F210 HydrophobicContact CG2-CE1 4.45Å; I205-F210 HydrophobicContact CG2-CE2 3.62Å; I205-F210 HydrophobicContact CG2-CG 4.28Å; I205-F210 HydrophobicContact CG2-CZ 3.97Å; D208-F210 WeakPolarHBondContact O-CD2 3.46Å; F210-V254 HydrophobicContact CD2-CG2 4.14Å; F210-V254 HydrophobicContact CE2-CG2 3.94Å; F210-V254 HydrophobicContact CZ-CG2 4.46Å; F210-I285 HydrophobicContact CD1-CD1 3.99Å; F210-I285 HydrophobicContact CE1-CD1 4.25Å; F210-W349 HydrophobicContact CE1-CB 4.33Å; F210-W349 HydrophobicContact CE1-CD2 4.33Å; F210-W349 AromaticContact CE1-CE3 3.66Å; F210-W349 HydrophobicContact CE1-CE3 3.66Å; F210-W349 HydrophobicContact CE1-CZ3 4.4Å; F210-W349 AromaticContact CZ-CE3 3.87Å; F210-W349 HydrophobicContact CZ-CE3 3.87Å; F210-R411 WeakPolarHBondContact O-CA 3.21Å; F210-L412 HydrophobicContact CB-CB 4.18Å; F210-L412 HydrophobicContact CB-CD1 3.99Å; F210-L412 HydrophobicContact CB-CG 4.19Å; F210-L412 PolarHBondContact O-N 3.43Å
211	F	98.7	Very high	93.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.9	179.4	-61.7	-97.9	0	0	0	111.7	I203 V204 Q209 V234 F237 A238 P409 R410 R411	I203-F211 CarbonylContact C-O 3.52Å; I203-F211 WeakPolarHBondContact CA-O 3.31Å; V204-F211 PolarHBondContact N-O 2.84Å; V204-F211 PolarHBondContact O-N 2.87Å; Q209-F211 HydrophobicContact CB-CD2 4.44Å; Q209-F211 HydrophobicContact CB-CE2 3.61Å; Q209-F211 HydrophobicContact CB-CZ 4.24Å; Q209-F211 WeakPolarHBondContact O-CD2 3.49Å; F211-V234 HydrophobicContact CB-CG1 4.32Å; F211-V234 HydrophobicContact CB-CG2 3.79Å; F211-V234 HydrophobicContact CD1-CG2 4.21Å; F211-V234 HydrophobicContact CD2-CB 4.45Å; F211-V234 HydrophobicContact CD2-CG1 3.55Å; F211-V234 HydrophobicContact CD2-CG2 4.38Å; F211-V234 HydrophobicContact CE2-CG1 3.89Å; F211-V234 HydrophobicContact CG-CB 4.41Å; F211-V234 HydrophobicContact CG-CG1 3.94Å; F211-V234 HydrophobicContact CG-CG2 3.9Å; F211-F237 HydrophobicContact CE1-CB 3.97Å; F211-F237 HydrophobicContact CE1-CD2 4.26Å; F211-F237 HydrophobicContact CZ-CB 4.11Å; F211-A238 HydrophobicContact CE2-CB 4.14Å; F211-A238 HydrophobicContact CZ-CB 4.19Å; F211-P409 HydrophobicContact CB-CB 4.43Å; F211-P409 HydrophobicContact CD1-CB 4.32Å; F211-R410 CarbonylContact C-O 3.56Å; F211-R410 WeakPolarHBondContact CA-O 3.11Å; F211-R411 HydrophobicContact CD1-CB 3.76Å; F211-R411 HydrophobicContact CD1-CG 4.07Å; F211-R411 HydrophobicContact CE1-CB 3.63Å; F211-R411 HydrophobicContact CE1-CG 3.72Å; F211-R411 HydrophobicContact CZ-CB 4.41Å; F211-R411 HydrophobicContact CZ-CG 3.99Å
212	V	98.7	Very high	93.3	Very high	6 Å²	6	30.3 Å²	30.3	4%	0.036	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129.7	174.2	-175.3	0	0	0	0	108.9	H201 I203 T284 P409 R410 L412	H201-V212 HydrophobicContact CB-CG1 3.83Å; I203-V212 HydrophobicContact CD1-CG2 3.86Å; V212-T284 HydrophobicContact CG1-CG2 4.37Å; V212-T284 HydrophobicContact CG2-CG2 3.64Å; V212-P409 WeakPolarHBondContact O-CA 3.36Å; V212-R410 HydrophobicContact CB-CB 4.34Å; V212-R410 PolarHBondContact N-O 3.46Å; V212-R410 PolarHBondContact O-N 2.92Å; V212-L412 HydrophobicContact CG2-CD2 3.51Å; V212-L412 HydrophobicContact CG2-CG 4.13Å
213	I	98.1	Very high	92.8	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.015	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	115.1	170.2	-58.1	174.4	0	0	0	107.9	H201 I202 V204 V215 L222 Q230 L231 V234 P409	H201-I213 CarbonylContact C-O 3.5Å; H201-I213 WeakPolarHBondContact CA-O 3.42Å; H201-I213 WeakPolarHBondContact CB-O 3.47Å; I202-I213 HydrophobicContact CG1-CB 4.09Å; I202-I213 PolarHBondContact N-O 3.19Å; I202-I213 PolarHBondContact O-N 3.48Å; I202-I213 VanDerWaalsContact O-N 3.12Å; V204-I213 HydrophobicContact CB-CD1 4.46Å; V204-I213 HydrophobicContact CG2-CD1 3.51Å; V204-I213 HydrophobicContact CG2-CG1 4.23Å; I213-V215 HydrophobicContact CG2-CG1 4.03Å; I213-V215 PolarHBondContact O-N 3.21Å; I213-L222 HydrophobicContact CG2-CD1 4.22Å; I213-Q230 HydrophobicContact CD1-CB 3.88Å; I213-Q230 HydrophobicContact CG1-CB 4.39Å; I213-Q230 HydrophobicContact CG2-CB 4.08Å; I213-Q230 HydrophobicContact CG2-CG 4.05Å; I213-L231 HydrophobicContact CD1-CD2 4.09Å; I213-V234 HydrophobicContact CD1-CG2 4.07Å; I213-V234 HydrophobicContact CG1-CG2 4.44Å; I213-P409 HydrophobicContact CG1-CB 4.23Å
214	D	94.8	Very high	92.3	Very high	66 Å²	66	34.3 Å²	34.3	35%	0.353	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	111.4	169.3	-62.7	-20.6	0	0	0	108.2	P199 H201 L222	P199-D214 HydrophobicContact CB-CB 4.19Å; H201-D214 WeakPolarHBondContact CB-OD1 3.4Å; D214-L222 WeakPolarHBondContact O-CD1 3.47Å
215	V	93.3	Very high	91.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-20.5	-176.1	-69.5	0	0	0	0	112.3	I137 L141 E200 I202 I213 R221 L222 M289	I137-V215 HydrophobicContact CG2-CG1 4.45Å; L141-V215 HydrophobicContact CD1-CB 4.05Å; L141-V215 HydrophobicContact CD1-CG2 4.37Å; L141-V215 HydrophobicContact CD2-CB 4.44Å; L141-V215 HydrophobicContact CD2-CG2 3.86Å; E200-V215 VanDerWaalsContact O-CG2 3.24Å; E200-V215 WeakPolarHBondContact O-CG2 3.4Å; E200-V215 PolarHBondContact O-N 2.97Å; I202-V215 HydrophobicContact CD1-CG1 4.13Å; I202-V215 HydrophobicContact CG1-CG1 3.99Å; I202-V215 HydrophobicContact CG2-CG1 4.28Å; I202-V215 HydrophobicContact CG2-CG2 4.11Å; I213-V215 HydrophobicContact CG2-CG1 4.03Å; I213-V215 PolarHBondContact O-N 3.21Å; V215-R221 CarbonylContact O-C 3.56Å; V215-R221 WeakPolarHBondContact O-CA 3.14Å; V215-L222 PolarHBondContact O-N 3.32Å; V215-M289 HydrophobicContact CG2-CE 3.91Å; V215-M289 HydrophobicContact CG2-SD 4.2Å
216	I	89.5	Confident	91.5	Very high	26 Å²	26	37.1 Å²	37.1	13%	0.133	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	120.4	171.7	-51.4	178	0	0	0	108.7	L141 P199 E200 S220 R221 M289	L141-I216 HydrophobicContact CD2-CD1 4.35Å; P199-I216 CarbonylContact C-O 3.52Å; P199-I216 WeakPolarHBondContact CA-O 3.4Å; E200-I216 HydrophobicContact CB-CB 4.04Å; E200-I216 HydrophobicContact CB-CG1 4.46Å; E200-I216 HydrophobicContact CG-CB 4.42Å; E200-I216 PolarHBondContact N-O 3.38Å; E200-I216 PolarHBondContact O-N 2.96Å; E200-I216 VanDerWaalsContact O-N 3.08Å; I216-S220 WeakPolarHBondContact CA-O 3.41Å; I216-R221 HydrophobicContact CG1-CB 4.1Å; I216-R221 HydrophobicContact CG1-CG 4.43Å; I216-M289 HydrophobicContact CD1-CE 3.81Å; I216-M289 HydrophobicContact CG1-CE 4.28Å
217	T	84.8	Confident	91.3	Very high	58 Å²	58	35.5 Å²	35.5	36%	0.356	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.7	178.9	-53.2	0	0	0	0	109.2	P199 G219 S220	P199-T217 HydrophobicContact CB-CG2 4.44Å; T217-G219 PolarHBondContact O-N 3.23Å; T217-S220 PolarHBondContact N-O 3.22Å; T217-S220 WeakPolarHBondContact O-CB 3.4Å; T217-S220 PolarHBondContact O-N 2.69Å
218	N	79.3	Confident	91.2	Very high	127 Å²	127	33.9 Å²	33.9	68%	0.679	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	41.4	-178.1	-60.9	-36.6	0	0	0	113.1	S220	N218-S220 PolarHBondContact O-N 2.85Å
219	G	75.3	Confident	91.1	Very high	73 Å²	73	35 Å²	35	75%	0.753	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.5	0.6	-177.3	0	0	0	0	0	115.5	T217	T217-G219 PolarHBondContact O-N 3.23Å
220	S	83.3	Confident	91	Very high	87 Å²	87	35.1 Å²	35.1	61%	0.608	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	120	176.7	-62.4	0	0	0	0	110.4	I216 T217 N218	I216-S220 WeakPolarHBondContact CA-O 3.41Å; T217-S220 PolarHBondContact N-O 3.22Å; T217-S220 WeakPolarHBondContact O-CB 3.4Å; T217-S220 PolarHBondContact O-N 2.69Å; N218-S220 PolarHBondContact O-N 2.85Å
221	R	87.5	Confident	91	Very high	55 Å²	55	35 Å²	35	21%	0.208	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	139.1	176.7	167.9	176	161.3	-162.4	-5.9	110.9	S138 L141 D142 V215 I216	S138-R221 VanDerWaalsContact C-NH2 3.32Å; S138-R221 VanDerWaalsContact CB-NH2 3.3Å; S138-R221 PolarHBondContact O-NH2 3.49Å; L141-R221 HydrophobicContact CD1-CG 4.07Å; D142-R221 IonicContact OD1-CZ 2.68Å; D142-R221 IonicContact OD1-NH1 3.6Å; D142-R221 PolarHBondContact OD1-NH1 3.43Å; D142-R221 IonicContact OD2-CZ 3.99Å; D142-R221 IonicContact OD2-NH1 3.19Å; D142-R221 PolarHBondContact OD2-NH1 3.18Å; D142-R221 IonicContact OD2-NH2 2.77Å; D142-R221 PolarHBondContact OD2-NH2 3.21Å; V215-R221 CarbonylContact O-C 3.56Å; V215-R221 WeakPolarHBondContact O-CA 3.14Å; I216-R221 HydrophobicContact CG1-CB 4.1Å; I216-R221 HydrophobicContact CG1-CG 4.43Å
222	L	89.8	Confident	90.9	Very high	30 Å²	30	41 Å²	41	16%	0.157	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-59.7	140	171.4	-68.7	-170.5	0	0	0	111.9	I213 D214 V215 D226 I227 Q230 L406	I213-L222 HydrophobicContact CG2-CD1 4.22Å; D214-L222 WeakPolarHBondContact O-CD1 3.47Å; V215-L222 PolarHBondContact O-N 3.32Å; L222-D226 HydrophobicContact CB-CB 4.11Å; L222-D226 HydrophobicContact CD2-CB 4.13Å; L222-I227 HydrophobicContact CB-CD1 4.38Å; L222-I227 HydrophobicContact CB-CG1 3.78Å; L222-I227 HydrophobicContact CD1-CG1 4.37Å; L222-Q230 HydrophobicContact CD1-CG 4.2Å; L222-L406 HydrophobicContact CD2-CD2 3.93Å
223	S	88.1	Confident	90.8	Very high	50 Å²	50	43.3 Å²	43.3	35%	0.35	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-70.4	160.9	171.9	73.3	0	0	0	0	111.1	E225 D226 I227	S223-E225 PolarHBondContact O-N 3.38Å; S223-D226 WeakPolarHBondContact CB-OD2 3.35Å; S223-D226 PolarHBondContact N-OD2 2.72Å; S223-D226 VanDerWaalsContact N-OD2 3.15Å; S223-D226 PolarHBondContact O-N 3.31Å; S223-D226 VanDerWaalsContact O-N 3.07Å; S223-D226 PolarHBondContact OG-N 3.02Å; S223-D226 VanDerWaalsContact OG-N 3.15Å; S223-D226 PolarHBondContact OG-OD2 3.38Å; S223-I227 VanDerWaalsContact O-CG1 3.31Å; S223-I227 WeakPolarHBondContact O-CG1 3.37Å; S223-I227 PolarHBondContact O-N 3.16Å
224	E	88.2	Confident	90.8	Very high	35 Å²	35	43.1 Å²	43.1	16%	0.164	24%	0.239	C	C	.	.	H	α-helix	trans	-55.2	-36.6	174	-175.4	-175.3	131.7	0	0	111.9	A134 Q135 I227 Y228	A134-E224 HydrophobicContact CB-CG 4.05Å; Q135-E224 HydrophobicContact CG-CG 4.3Å; Q135-E224 WeakPolarHBondContact CG-OE1 3.13Å; Q135-E224 PolarHBondContact NE2-OE1 3.4Å; E224-I227 PolarHBondContact O-N 2.82Å; E224-Y228 WeakPolarHBondContact O-CB 3.29Å; E224-Y228 PolarHBondContact O-N 2.96Å
225	E	89.2	Confident	90.9	Very high	41 Å²	41	40.9 Å²	40.9	19%	0.192	23%	0.228	C	C	.	.	H	α-helix	trans	-67.1	-41.9	176.9	-173	63	-151.3	0	0	111.6	R131 S223 Y228 N229	R131-E225 IonicContact CZ-OE1 2.65Å; R131-E225 IonicContact CZ-OE2 3.36Å; R131-E225 IonicContact NH1-OE2 2.86Å; R131-E225 PolarHBondContact NH1-OE2 2.79Å; R131-E225 VanDerWaalsContact NH2-CD 3.27Å; R131-E225 IonicContact NH2-OE1 3.76Å; R131-E225 PolarHBondContact NH2-OE1 2.89Å; R131-E225 IonicContact NH2-OE2 3.44Å; R131-E225 PolarHBondContact NH2-OE2 2.88Å; S223-E225 PolarHBondContact O-N 3.38Å; E225-Y228 PolarHBondContact O-N 2.93Å; E225-N229 PolarHBondContact O-N 3.47Å; E225-N229 PolarHBondContact O-ND2 3.28Å; E225-N229 PolarHBondContact OE1-ND2 3.13Å
226	D	92.2	Very high	91	Very high	17 Å²	17	45.2 Å²	45.2	9%	0.091	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-45	176.3	-60	-44.2	0	0	0	110.5	L222 S223 Y228 N229 Q230 S402 L406	L222-D226 HydrophobicContact CB-CB 4.11Å; L222-D226 HydrophobicContact CD2-CB 4.13Å; S223-D226 WeakPolarHBondContact CB-OD2 3.35Å; S223-D226 PolarHBondContact N-OD2 2.72Å; S223-D226 VanDerWaalsContact N-OD2 3.15Å; S223-D226 PolarHBondContact O-N 3.31Å; S223-D226 VanDerWaalsContact O-N 3.07Å; S223-D226 PolarHBondContact OG-N 3.02Å; S223-D226 VanDerWaalsContact OG-N 3.15Å; S223-D226 PolarHBondContact OG-OD2 3.38Å; D226-Y228 VanDerWaalsContact C-N 3.35Å; D226-Y228 PolarHBondContact O-N 2.98Å; D226-N229 PolarHBondContact O-N 2.97Å; D226-Q230 VanDerWaalsContact O-CG 3.29Å; D226-Q230 WeakPolarHBondContact O-CG 3.16Å; D226-Q230 PolarHBondContact O-N 3.12Å; D226-S402 WeakPolarHBondContact OD1-CB 3.34Å; D226-S402 PolarHBondContact OD1-OG 3.13Å; D226-L406 HydrophobicContact CB-CD1 3.67Å; D226-L406 HydrophobicContact CB-CD2 3.93Å; D226-L406 HydrophobicContact CB-CG 4.45Å; D226-L406 WeakPolarHBondContact OD1-CD1 3.29Å
227	I	94.8	Very high	91.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59.3	-46.5	176.4	-63.3	168.9	0	0	0	110.4	A134 I137 L141 L222 S223 E224 N229 Q230 L231	A134-I227 HydrophobicContact CB-CB 4.28Å; A134-I227 HydrophobicContact CB-CG2 3.93Å; I137-I227 HydrophobicContact CB-CD1 4.46Å; I137-I227 HydrophobicContact CB-CG2 4.17Å; I137-I227 HydrophobicContact CD1-CG2 3.53Å; I137-I227 HydrophobicContact CG1-CG2 4.47Å; I137-I227 HydrophobicContact CG2-CD1 3.84Å; I137-I227 HydrophobicContact CG2-CG2 4.19Å; L141-I227 HydrophobicContact CD1-CD1 4.24Å; L222-I227 HydrophobicContact CB-CD1 4.38Å; L222-I227 HydrophobicContact CB-CG1 3.78Å; L222-I227 HydrophobicContact CD1-CG1 4.37Å; S223-I227 VanDerWaalsContact O-CG1 3.31Å; S223-I227 WeakPolarHBondContact O-CG1 3.37Å; S223-I227 PolarHBondContact O-N 3.16Å; E224-I227 PolarHBondContact O-N 2.82Å; I227-N229 VanDerWaalsContact C-N 3.32Å; I227-N229 PolarHBondContact O-N 3.13Å; I227-Q230 WeakPolarHBondContact O-CB 3.38Å; I227-Q230 PolarHBondContact O-N 3.26Å; I227-L231 HydrophobicContact CG2-CD1 4.26Å; I227-L231 HydrophobicContact CG2-CG 4.43Å; I227-L231 WeakPolarHBondContact O-CG 3.3Å; I227-L231 PolarHBondContact O-N 3.42Å
228	Y	95	Very high	91.8	Very high	13 Å²	13	43.1 Å²	43.1	5%	0.051	23%	0.233	C	C	.	.	H	α-helix	trans	-57	-45	175.4	169.3	-103.4	0	0	0	112.2	R127 L130 R131 E224 E225 D226 L231 R232	R127-Y228 WeakPolarHBondContact CD-OH 3.22Å; R127-Y228 HydrophobicContact CG-CE2 4.31Å; R127-Y228 VanDerWaalsContact CG-OH 3.31Å; R127-Y228 WeakPolarHBondContact CG-OH 3.23Å; L130-Y228 HydrophobicContact CB-CD2 3.95Å; L130-Y228 HydrophobicContact CB-CE2 3.84Å; R131-Y228 HydrophobicContact CG-CD2 3.8Å; R131-Y228 HydrophobicContact CG-CE2 3.68Å; E224-Y228 WeakPolarHBondContact O-CB 3.29Å; E224-Y228 PolarHBondContact O-N 2.96Å; E225-Y228 PolarHBondContact O-N 2.93Å; D226-Y228 VanDerWaalsContact C-N 3.35Å; D226-Y228 PolarHBondContact O-N 2.98Å; Y228-L231 PolarHBondContact O-N 2.72Å; Y228-R232 VanDerWaalsContact CE1-CD 3.43Å; Y228-R232 HydrophobicContact CE1-CG 4.2Å; Y228-R232 HydrophobicContact CE2-CG 4.16Å; Y228-R232 VanDerWaalsContact CZ-CD 3.46Å; Y228-R232 WeakPolarHBondContact O-CG 3.21Å; Y228-R232 PolarHBondContact O-N 3.06Å
229	N	95.1	Very high	92.6	Very high	41 Å²	41	41.3 Å²	41.3	22%	0.219	22%	0.221	C	C	.	.	H	α-helix	trans	-67.3	-35.5	178.3	-71.8	-49.5	0	0	0	112.5	E225 D226 I227 R232 R233	E225-N229 PolarHBondContact O-N 3.47Å; E225-N229 PolarHBondContact O-ND2 3.28Å; E225-N229 PolarHBondContact OE1-ND2 3.13Å; D226-N229 PolarHBondContact O-N 2.97Å; I227-N229 VanDerWaalsContact C-N 3.32Å; I227-N229 PolarHBondContact O-N 3.13Å; N229-R232 PolarHBondContact O-N 2.95Å; N229-R233 WeakPolarHBondContact O-CG 3.47Å; N229-R233 PolarHBondContact O-N 3.02Å; N229-R233 VanDerWaalsContact O-N 3.13Å
230	Q	96.8	Very high	93.6	Very high	7 Å²	7	40.4 Å²	40.4	3%	0.033	20%	0.197	C	C	.	.	H	α-helix	trans	-62.5	-45.4	171.6	-67.1	-65.9	-21.4	0	0	111.5	I213 L222 D226 I227 R232 R233 V234 A407	I213-Q230 HydrophobicContact CD1-CB 3.88Å; I213-Q230 HydrophobicContact CG1-CB 4.39Å; I213-Q230 HydrophobicContact CG2-CB 4.08Å; I213-Q230 HydrophobicContact CG2-CG 4.05Å; L222-Q230 HydrophobicContact CD1-CG 4.2Å; D226-Q230 VanDerWaalsContact O-CG 3.29Å; D226-Q230 WeakPolarHBondContact O-CG 3.16Å; D226-Q230 PolarHBondContact O-N 3.12Å; I227-Q230 WeakPolarHBondContact O-CB 3.38Å; I227-Q230 PolarHBondContact O-N 3.26Å; Q230-R232 VanDerWaalsContact C-N 3.34Å; Q230-R232 PolarHBondContact O-N 3.26Å; Q230-R233 WeakPolarHBondContact O-CB 3.38Å; Q230-R233 PolarHBondContact O-N 2.93Å; Q230-V234 WeakPolarHBondContact O-CG2 3.45Å; Q230-V234 PolarHBondContact O-N 3.01Å; Q230-A407 PolarHBondContact NE2-O 3.39Å; Q230-A407 PolarHBondContact OE1-O 3.3Å
231	L	98.3	Very high	94	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.9	-39.2	178	-67.8	176.7	0	0	0	112.3	L130 A133 A134 I137 V204 I213 I227 Y228 R233 V234 T235 L292	L130-L231 HydrophobicContact CD2-CB 4.22Å; A133-L231 HydrophobicContact CB-CD1 3.67Å; A134-L231 HydrophobicContact CB-CD1 4.31Å; I137-L231 HydrophobicContact CD1-CD1 4.12Å; I137-L231 HydrophobicContact CD1-CD2 4.32Å; V204-L231 HydrophobicContact CG1-CD2 4.08Å; V204-L231 HydrophobicContact CG2-CD2 3.91Å; I213-L231 HydrophobicContact CD1-CD2 4.09Å; I227-L231 HydrophobicContact CG2-CD1 4.26Å; I227-L231 HydrophobicContact CG2-CG 4.43Å; I227-L231 WeakPolarHBondContact O-CG 3.3Å; I227-L231 PolarHBondContact O-N 3.42Å; Y228-L231 PolarHBondContact O-N 2.72Å; L231-R233 VanDerWaalsContact C-N 3.34Å; L231-R233 PolarHBondContact O-N 2.9Å; L231-V234 WeakPolarHBondContact O-CB 3.33Å; L231-V234 PolarHBondContact O-N 3.34Å; L231-T235 PolarHBondContact O-N 3.24Å; L231-T235 PolarHBondContact O-OG1 3.11Å; L231-L292 HydrophobicContact CD2-CD2 3.88Å
232	R	97.4	Very high	94.1	Very high	127 Å²	127	38 Å²	38	48%	0.479	19%	0.185	S	C	.	.	H	α-helix	trans	-60.6	-42.1	173.1	-74.5	-177	69	-160.9	1.6	112.7	L130 Y228 N229 Q230 V234 T235 Q236	L130-R232 HydrophobicContact CD1-CB 4.47Å; L130-R232 HydrophobicContact CD1-CG 3.8Å; Y228-R232 VanDerWaalsContact CE1-CD 3.43Å; Y228-R232 HydrophobicContact CE1-CG 4.2Å; Y228-R232 HydrophobicContact CE2-CG 4.16Å; Y228-R232 VanDerWaalsContact CZ-CD 3.46Å; Y228-R232 WeakPolarHBondContact O-CG 3.21Å; Y228-R232 PolarHBondContact O-N 3.06Å; N229-R232 PolarHBondContact O-N 2.95Å; Q230-R232 VanDerWaalsContact C-N 3.34Å; Q230-R232 PolarHBondContact O-N 3.26Å; R232-V234 VanDerWaalsContact C-N 3.33Å; R232-T235 PolarHBondContact O-N 2.91Å; R232-T235 PolarHBondContact O-OG1 3.41Å; R232-Q236 VanDerWaalsContact O-CB 3.26Å; R232-Q236 WeakPolarHBondContact O-CB 3.35Å; R232-Q236 PolarHBondContact O-N 2.58Å
233	R	96.2	Very high	94.3	Very high	53 Å²	53	39.5 Å²	39.5	20%	0.2	20%	0.202	C	C	.	.	H	α-helix	trans	-63.5	-41.7	175.7	-70	169	-179.6	-177.7	-4	110.7	N229 Q230 L231 Q236 F237 L406 P409	N229-R233 WeakPolarHBondContact O-CG 3.47Å; N229-R233 PolarHBondContact O-N 3.02Å; N229-R233 VanDerWaalsContact O-N 3.13Å; Q230-R233 WeakPolarHBondContact O-CB 3.38Å; Q230-R233 PolarHBondContact O-N 2.93Å; L231-R233 VanDerWaalsContact C-N 3.34Å; L231-R233 PolarHBondContact O-N 2.9Å; R233-Q236 PolarHBondContact O-N 3.44Å; R233-F237 HydrophobicContact CB-CE2 4.23Å; R233-F237 HydrophobicContact CB-CZ 4.39Å; R233-F237 WeakPolarHBondContact O-CB 3.45Å; R233-F237 WeakPolarHBondContact O-CD2 3.33Å; R233-F237 WeakPolarHBondContact O-CG 3.18Å; R233-F237 PolarHBondContact O-N 2.87Å; R233-L406 PolarHBondContact NH1-O 2.88Å; R233-P409 HydrophobicContact CB-CG 3.83Å
234	V	97.8	Very high	94.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58	-50.5	175.1	166.1	0	0	0	0	111.5	V204 F211 I213 Q230 L231 R232 F237 A238 P409	V204-V234 HydrophobicContact CB-CG1 4.36Å; V204-V234 HydrophobicContact CG1-CG1 3.88Å; F211-V234 HydrophobicContact CB-CG1 4.32Å; F211-V234 HydrophobicContact CB-CG2 3.79Å; F211-V234 HydrophobicContact CD1-CG2 4.21Å; F211-V234 HydrophobicContact CD2-CB 4.45Å; F211-V234 HydrophobicContact CD2-CG1 3.55Å; F211-V234 HydrophobicContact CD2-CG2 4.38Å; F211-V234 HydrophobicContact CE2-CG1 3.89Å; F211-V234 HydrophobicContact CG-CB 4.41Å; F211-V234 HydrophobicContact CG-CG1 3.94Å; F211-V234 HydrophobicContact CG-CG2 3.9Å; I213-V234 HydrophobicContact CD1-CG2 4.07Å; I213-V234 HydrophobicContact CG1-CG2 4.44Å; Q230-V234 WeakPolarHBondContact O-CG2 3.45Å; Q230-V234 PolarHBondContact O-N 3.01Å; L231-V234 WeakPolarHBondContact O-CB 3.33Å; L231-V234 PolarHBondContact O-N 3.34Å; R232-V234 VanDerWaalsContact C-N 3.33Å; V234-F237 PolarHBondContact O-N 3.05Å; V234-A238 PolarHBondContact O-N 3.07Å; V234-A238 VanDerWaalsContact O-N 3.13Å; V234-P409 HydrophobicContact CG2-CB 3.56Å; V234-P409 HydrophobicContact CG2-CG 3.67Å
235	T	97.3	Very high	94.5	Very high	19 Å²	19	46 Å²	46	12%	0.117	24%	0.243	C	C	.	.	H	α-helix	trans	-64.6	-44.7	-178.8	57.5	0	0	0	0	111.7	L130 Y206 L231 R232 A238 E239 L294	L130-T235 HydrophobicContact CD1-CG2 4.16Å; L130-T235 HydrophobicContact CD2-CG2 3.95Å; Y206-T235 HydrophobicContact CD1-CG2 3.86Å; Y206-T235 HydrophobicContact CE1-CG2 3.81Å; Y206-T235 HydrophobicContact CG-CG2 4.26Å; L231-T235 PolarHBondContact O-N 3.24Å; L231-T235 PolarHBondContact O-OG1 3.11Å; R232-T235 PolarHBondContact O-N 2.91Å; R232-T235 PolarHBondContact O-OG1 3.41Å; T235-A238 PolarHBondContact O-N 2.9Å; T235-E239 WeakPolarHBondContact O-CB 3.31Å; T235-E239 WeakPolarHBondContact O-CG 3.49Å; T235-E239 PolarHBondContact O-N 2.91Å; T235-L294 HydrophobicContact CG2-CD1 3.99Å
236	Q	95.5	Very high	94.4	Very high	91 Å²	91	45.8 Å²	45.8	43%	0.425	25%	0.247	S	C	.	.	H	α-helix	trans	-57.3	-51.6	176.7	179.3	179.6	0.5	0	0	111.7	R232 R233 A238 E239 E240	R232-Q236 VanDerWaalsContact O-CB 3.26Å; R232-Q236 WeakPolarHBondContact O-CB 3.35Å; R232-Q236 PolarHBondContact O-N 2.58Å; R233-Q236 PolarHBondContact O-N 3.44Å; Q236-A238 VanDerWaalsContact C-N 3.3Å; Q236-A238 PolarHBondContact O-N 3.12Å; Q236-E239 PolarHBondContact O-N 2.86Å; Q236-E240 HydrophobicContact CG-CG 4.25Å; Q236-E240 WeakPolarHBondContact CG-OE1 3.38Å; Q236-E240 PolarHBondContact NE2-OE1 3.32Å; Q236-E240 WeakPolarHBondContact O-CB 3.41Å; Q236-E240 VanDerWaalsContact O-CG 3.3Å; Q236-E240 WeakPolarHBondContact O-CG 3.36Å; Q236-E240 PolarHBondContact O-N 3.34Å
237	F	95.6	Very high	93.9	Very high	39 Å²	39	54.7 Å²	54.7	17%	0.171	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-36.9	-178.6	-66.7	-18.6	0	0	0	113	F211 R233 V234 S241 Y408	F211-F237 HydrophobicContact CE1-CB 3.97Å; F211-F237 HydrophobicContact CE1-CD2 4.26Å; F211-F237 HydrophobicContact CZ-CB 4.11Å; R233-F237 HydrophobicContact CB-CE2 4.23Å; R233-F237 HydrophobicContact CB-CZ 4.39Å; R233-F237 WeakPolarHBondContact O-CB 3.45Å; R233-F237 WeakPolarHBondContact O-CD2 3.33Å; R233-F237 WeakPolarHBondContact O-CG 3.18Å; R233-F237 PolarHBondContact O-N 2.87Å; V234-F237 PolarHBondContact O-N 3.05Å; F237-S241 WeakPolarHBondContact O-CB 3.44Å; F237-S241 PolarHBondContact O-N 2.85Å; F237-S241 PolarHBondContact O-OG 3.22Å; F237-Y408 HydrophobicContact CE2-CD1 4.08Å; F237-Y408 AromaticContact CZ-CD1 3.66Å; F237-Y408 HydrophobicContact CZ-CD1 3.66Å; F237-Y408 HydrophobicContact CZ-CE1 4.15Å
238	A	96.1	Very high	93.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-70.8	-43.6	176.8	0	0	0	0	0	111.8	Y206 L207 Q209 F211 V234 T235 Q236 S241 V242	Y206-A238 HydrophobicContact CD1-CB 3.66Å; Y206-A238 HydrophobicContact CE1-CB 4.28Å; L207-A238 HydrophobicContact CD1-CB 4.38Å; Q209-A238 HydrophobicContact CB-CB 4.37Å; Q209-A238 HydrophobicContact CG-CB 4.22Å; F211-A238 HydrophobicContact CE2-CB 4.14Å; F211-A238 HydrophobicContact CZ-CB 4.19Å; V234-A238 PolarHBondContact O-N 3.07Å; V234-A238 VanDerWaalsContact O-N 3.13Å; T235-A238 PolarHBondContact O-N 2.9Å; Q236-A238 VanDerWaalsContact C-N 3.3Å; Q236-A238 PolarHBondContact O-N 3.12Å; A238-S241 PolarHBondContact O-N 3.41Å; A238-V242 WeakPolarHBondContact O-CG2 3.39Å; A238-V242 PolarHBondContact O-N 3.37Å
239	E	95.5	Very high	93	Very high	90 Å²	90	64.4 Å²	64.4	42%	0.421	33%	0.334	S	S	.	.	H	α-helix	trans	-62.8	-48.3	179	-78	161.1	-171.7	0	0	111.8	Y206 L207 T235 Q236 S241 V242 A243	Y206-E239 HydrophobicContact CE1-CG 3.97Å; Y206-E239 WeakPolarHBondContact CE1-OE1 3.43Å; Y206-E239 PolarHBondContact OH-OE1 3.32Å; L207-E239 HydrophobicContact CD1-CG 4.18Å; T235-E239 WeakPolarHBondContact O-CB 3.31Å; T235-E239 WeakPolarHBondContact O-CG 3.49Å; T235-E239 PolarHBondContact O-N 2.91Å; Q236-E239 PolarHBondContact O-N 2.86Å; E239-S241 VanDerWaalsContact C-N 3.31Å; E239-S241 PolarHBondContact O-N 3.47Å; E239-V242 PolarHBondContact O-N 3.17Å; E239-A243 VanDerWaalsContact O-CB 3.32Å; E239-A243 WeakPolarHBondContact O-CB 3.29Å; E239-A243 PolarHBondContact O-N 3.15Å
240	E	95.3	Very high	92.9	Very high	54 Å²	54	65.5 Å²	65.5	25%	0.252	34%	0.342	S	S	.	.	H	α-helix	trans	-61.3	-39.6	178.1	-68.4	170.5	174.3	0	0	111.5	Q236 G244 E245 S246	Q236-E240 HydrophobicContact CG-CG 4.25Å; Q236-E240 WeakPolarHBondContact CG-OE1 3.38Å; Q236-E240 PolarHBondContact NE2-OE1 3.32Å; Q236-E240 WeakPolarHBondContact O-CB 3.41Å; Q236-E240 VanDerWaalsContact O-CG 3.3Å; Q236-E240 WeakPolarHBondContact O-CG 3.36Å; Q236-E240 PolarHBondContact O-N 3.34Å; E240-G244 PolarHBondContact O-N 3.22Å; E240-E245 HydrophobicContact CB-CB 4.46Å; E240-E245 PolarHBondContact O-N 2.97Å; E240-S246 PolarHBondContact O-N 3.37Å
241	S	92.2	Very high	92.9	Very high	6 Å²	6	66 Å²	66	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-62.7	-46.9	174.1	-77.6	0	0	0	0	112.3	F237 A238 E239 A243 G244 M248 V250 R411	F237-S241 WeakPolarHBondContact O-CB 3.44Å; F237-S241 PolarHBondContact O-N 2.85Å; F237-S241 PolarHBondContact O-OG 3.22Å; A238-S241 PolarHBondContact O-N 3.41Å; E239-S241 VanDerWaalsContact C-N 3.31Å; E239-S241 PolarHBondContact O-N 3.47Å; S241-A243 VanDerWaalsContact C-N 3.34Å; S241-G244 PolarHBondContact O-N 2.89Å; S241-M248 WeakPolarHBondContact CB-O 3.27Å; S241-M248 PolarHBondContact OG-O 3.08Å; S241-V250 WeakPolarHBondContact O-CG2 3.29Å; S241-R411 PolarHBondContact OG-NH1 3.01Å
242	V	90.8	Very high	92.8	Very high	85 Å²	85	67.9 Å²	67.9	52%	0.515	36%	0.357	S	S	.	.	H	α-helix	trans	-68.7	-33.9	-178.9	171	0	0	0	0	111.8	L207 A238 E239 G244 V250	L207-V242 HydrophobicContact CD1-CG2 4.23Å; A238-V242 WeakPolarHBondContact O-CG2 3.39Å; A238-V242 PolarHBondContact O-N 3.37Å; E239-V242 PolarHBondContact O-N 3.17Å; V242-G244 PolarHBondContact O-N 3.39Å; V242-V250 HydrophobicContact CG2-CG2 4.29Å
243	A	92.5	Very high	92.8	Very high	62 Å²	62	65.1 Å²	65.1	51%	0.512	35%	0.346	S	S	.	.	H	α-helix	trans	-73.9	-12.7	175	0	0	0	0	0	113.4	E239 S241 E245	E239-A243 VanDerWaalsContact O-CB 3.32Å; E239-A243 WeakPolarHBondContact O-CB 3.29Å; E239-A243 PolarHBondContact O-N 3.15Å; S241-A243 VanDerWaalsContact C-N 3.34Å; A243-E245 VanDerWaalsContact C-N 3.27Å; A243-E245 HydrophobicContact CB-CB 4.41Å; A243-E245 HydrophobicContact CB-CG 3.81Å
244	G	90.2	Very high	92.9	Very high	64 Å²	64	62.6 Å²	62.6	66%	0.66	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	20.6	-173.5	0	0	0	0	0	113.4	E240 S241 V242	E240-G244 PolarHBondContact O-N 3.22Å; S241-G244 PolarHBondContact O-N 2.89Å; V242-G244 PolarHBondContact O-N 3.39Å
245	E	90.1	Very high	92.9	Very high	157 Å²	157	62.6 Å²	62.6	73%	0.734	34%	0.337	S	S	*	.			trans	-92.5	-4.5	-179.9	-64.2	177	178	0	0	112.4	E240 A243	E240-E245 HydrophobicContact CB-CB 4.46Å; E240-E245 PolarHBondContact O-N 2.97Å; A243-E245 VanDerWaalsContact C-N 3.27Å; A243-E245 HydrophobicContact CB-CB 4.41Å; A243-E245 HydrophobicContact CB-CG 3.81Å
246	S	87	Confident	93	Very high	37 Å²	37	61.7 Å²	61.7	26%	0.259	33%	0.331	S	S	.	.	S	Bend	trans	-118.5	147.8	178	-174.7	0	0	0	0	112.1	E240 M248	E240-S246 PolarHBondContact O-N 3.37Å; S246-M248 PolarHBondContact O-N 2.85Å; S246-M248 WeakPolarHBondContact OG-CB 3.35Å; S246-M248 PolarHBondContact OG-N 3.41Å; S246-M248 VanDerWaalsContact OG-N 3.16Å
247	E	83.4	Confident	93.1	Very high	203 Å²	203	57.4 Å²	57.4	95%	0.949	31%	0.311	S	S	*	.	S	Bend	trans	-65.7	-15.7	168	-63.1	-176.4	173.7	0	0	112.4	E249	E247-E249 PolarHBondContact O-N 2.94Å
248	M	82.1	Confident	93.3	Very high	65 Å²	65	55.6 Å²	55.6	32%	0.32	30%	0.303	S	S	.	.	S	Bend	trans	-76.5	109.6	-179.8	-70.6	-174.8	62.3	0	0	111.3	S241 S246 R411	S241-M248 WeakPolarHBondContact CB-O 3.27Å; S241-M248 PolarHBondContact OG-O 3.08Å; S246-M248 PolarHBondContact O-N 2.85Å; S246-M248 WeakPolarHBondContact OG-CB 3.35Å; S246-M248 PolarHBondContact OG-N 3.41Å; S246-M248 VanDerWaalsContact OG-N 3.16Å; M248-R411 HydrophobicContact CE-CB 4.11Å; M248-R411 VanDerWaalsContact CE-NE 3.3Å
249	E	88.1	Confident	93.3	Very high	153 Å²	153	55.6 Å²	55.6	72%	0.715	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-59.8	138.1	179.6	-170.5	-179.5	-175.6	0	0	113.2	E247 Q251 R411	E247-E249 PolarHBondContact O-N 2.94Å; E249-Q251 PolarHBondContact O-N 2.63Å; E249-Q251 PolarHBondContact O-NE2 2.83Å; E249-R411 PolarHBondContact O-NH1 2.82Å; E249-R411 VanDerWaalsContact O-NH1 3.13Å; E249-R411 PolarHBondContact O-NH2 3.37Å
250	V	93.8	Very high	93.5	Very high	63 Å²	63	51.3 Å²	51.3	38%	0.382	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-62.2	127	173.4	180	0	0	0	0	109.6	S241 V242	S241-V250 WeakPolarHBondContact O-CG2 3.29Å; V242-V250 HydrophobicContact CG2-CG2 4.29Å
251	Q	95.7	Very high	93.6	Very high	18 Å²	18	49.8 Å²	49.8	8%	0.084	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-82.4	149	-179.2	-59.5	-60.3	-63.1	0	0	111.7	Q209 E249 K413	Q209-Q251 PolarHBondContact NE2-O 3.01Å; Q209-Q251 VanDerWaalsContact NE2-O 3.1Å; Q209-Q251 VanDerWaalsContact OE1-CB 3.29Å; E249-Q251 PolarHBondContact O-N 2.63Å; E249-Q251 PolarHBondContact O-NE2 2.83Å; Q251-K413 VanDerWaalsContact OE1-CA 3.27Å
252	P	95.9	Very high	93.9	Very high	39 Å²	39	49.6 Å²	49.6	25%	0.253	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-58	154.8	174.3	-23.3	34	0	0	0	112.5	V254 L416 I424	P252-V254 HydrophobicContact CB-CG1 4.34Å; P252-V254 PolarHBondContact O-N 3.45Å; P252-L416 HydrophobicContact CB-CD1 3.59Å; P252-L416 HydrophobicContact CG-CD1 3.7Å; P252-L416 HydrophobicContact CG-CG 4.35Å; P252-I424 HydrophobicContact CB-CD1 3.88Å
253	R	97.5	Very high	94.2	Very high	69 Å²	69	48.4 Å²	48.4	26%	0.26	27%	0.267	S	S	.	.			trans	-76.7	51.4	-174.5	-53.8	177.3	70.6	-165.7	3.5	113	D208 G255 A256 S341 A346 I424	D208-R253 HydrophobicContact CB-CB 4.36Å; D208-R253 HydrophobicContact CB-CG 4.23Å; D208-R253 IonicContact OD2-CZ 3.87Å; D208-R253 VanDerWaalsContact OD2-CZ 3.32Å; D208-R253 IonicContact OD2-NE 3.03Å; D208-R253 PolarHBondContact OD2-NE 2.9Å; D208-R253 IonicContact OD2-NH2 2.74Å; D208-R253 PolarHBondContact OD2-NH2 3.42Å; R253-G255 PolarHBondContact O-N 2.86Å; R253-G255 VanDerWaalsContact O-N 3.09Å; R253-A256 WeakPolarHBondContact O-CB 3.35Å; R253-A256 PolarHBondContact O-N 2.92Å; R253-S341 VanDerWaalsContact CZ-O 3.31Å; R253-S341 PolarHBondContact NH1-O 3.25Å; R253-S341 PolarHBondContact NH2-O 3.48Å; R253-A346 HydrophobicContact CB-CB 3.88Å; R253-I424 HydrophobicContact CB-CG2 4.15Å
254	V	98.5	Very high	94.5	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-58.3	-26.1	-168.5	-67.8	0	0	0	0	114.8	F210 P252 A256 L257 W414 L416 I424	F210-V254 HydrophobicContact CD2-CG2 4.14Å; F210-V254 HydrophobicContact CE2-CG2 3.94Å; F210-V254 HydrophobicContact CZ-CG2 4.46Å; P252-V254 HydrophobicContact CB-CG1 4.34Å; P252-V254 PolarHBondContact O-N 3.45Å; V254-A256 PolarHBondContact O-N 2.83Å; V254-A256 VanDerWaalsContact O-N 3.15Å; V254-L257 WeakPolarHBondContact O-CB 3.38Å; V254-L257 WeakPolarHBondContact O-CG 3.37Å; V254-L257 PolarHBondContact O-N 3.02Å; V254-W414 HydrophobicContact CB-CD2 4.44Å; V254-W414 HydrophobicContact CG1-CB 4.27Å; V254-W414 HydrophobicContact CG1-CD2 3.88Å; V254-W414 HydrophobicContact CG1-CE3 4.37Å; V254-W414 HydrophobicContact CG1-CG 3.81Å; V254-W414 HydrophobicContact CG2-CD2 4.22Å; V254-W414 HydrophobicContact CG2-CG 4.46Å; V254-W414 HydrophobicContact CG2-CZ2 3.88Å; V254-L416 HydrophobicContact CG1-CD1 3.95Å; V254-I424 HydrophobicContact CG1-CD1 4.11Å
255	G	98.5	Very high	94.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-57.8	-29.4	178.7	0	0	0	0	0	113.3	R253 L257 T258 R348	R253-G255 PolarHBondContact O-N 2.86Å; R253-G255 VanDerWaalsContact O-N 3.09Å; G255-L257 PolarHBondContact O-N 3.35Å; G255-T258 PolarHBondContact O-N 2.84Å; G255-T258 PolarHBondContact O-OG1 3.08Å; G255-R348 WeakPolarHBondContact CA-O 3.48Å
256	A	98.6	Very high	95.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-56.6	-31.5	176.1	0	0	0	0	0	113	R253 V254 T258 A259 A346 I424 A427 L428	R253-A256 WeakPolarHBondContact O-CB 3.35Å; R253-A256 PolarHBondContact O-N 2.92Å; V254-A256 PolarHBondContact O-N 2.83Å; V254-A256 VanDerWaalsContact O-N 3.15Å; A256-T258 PolarHBondContact O-N 3.49Å; A256-T258 VanDerWaalsContact O-N 3.16Å; A256-A259 VanDerWaalsContact O-CB 3.27Å; A256-A259 WeakPolarHBondContact O-CB 3.23Å; A256-A259 PolarHBondContact O-N 3.44Å; A256-A346 HydrophobicContact CB-CB 4.09Å; A256-I424 HydrophobicContact CB-CG2 4.39Å; A256-A427 HydrophobicContact CB-CB 4.14Å; A256-A427 VanDerWaalsContact O-CB 3.3Å; A256-A427 WeakPolarHBondContact O-CB 3.4Å; A256-L428 HydrophobicContact CB-CD2 3.59Å; A256-L428 HydrophobicContact CB-CG 3.87Å
257	L	98.8	Very high	95.9	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-61.1	-28.3	-177.5	-64.1	171.4	0	0	0	113	V254 G255 A259 L260 W265 V268 L272 M423 I424	V254-L257 WeakPolarHBondContact O-CB 3.38Å; V254-L257 WeakPolarHBondContact O-CG 3.37Å; V254-L257 PolarHBondContact O-N 3.02Å; G255-L257 PolarHBondContact O-N 3.35Å; L257-A259 PolarHBondContact O-N 3.18Å; L257-L260 HydrophobicContact CB-CD1 4.46Å; L257-L260 HydrophobicContact CD2-CD1 3.89Å; L257-L260 WeakPolarHBondContact O-CB 3.41Å; L257-L260 WeakPolarHBondContact O-CG 3.39Å; L257-L260 PolarHBondContact O-N 2.93Å; L257-L260 VanDerWaalsContact O-N 3.13Å; L257-W265 HydrophobicContact CB-CD2 4.41Å; L257-W265 HydrophobicContact CB-CE3 3.69Å; L257-W265 HydrophobicContact CB-CH2 3.91Å; L257-W265 HydrophobicContact CB-CZ3 3.44Å; L257-W265 VanDerWaalsContact CB-CZ3 3.44Å; L257-W265 HydrophobicContact CD1-CH2 4.31Å; L257-W265 HydrophobicContact CD1-CZ3 3.84Å; L257-W265 HydrophobicContact CG-CZ3 4.19Å; L257-V268 HydrophobicContact CD1-CG1 4.05Å; L257-V268 HydrophobicContact CD2-CG1 4.18Å; L257-L272 HydrophobicContact CD1-CD1 4.04Å; L257-M423 HydrophobicContact CD2-CB 4.05Å; L257-I424 HydrophobicContact CD1-CG1 4.05Å; L257-I424 HydrophobicContact CD2-CG1 3.79Å; L257-I424 HydrophobicContact CG-CG1 3.83Å
258	T	98.5	Very high	96.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-71	-8.9	175.8	63.5	0	0	0	0	113.7	G255 A256 W265 W349 Y350	G255-T258 PolarHBondContact O-N 2.84Å; G255-T258 PolarHBondContact O-OG1 3.08Å; A256-T258 PolarHBondContact O-N 3.49Å; A256-T258 VanDerWaalsContact O-N 3.16Å; T258-W265 HydrophobicContact CG2-CZ2 3.98Å; T258-W349 HydrophobicContact CG2-CD2 3.56Å; T258-W349 HydrophobicContact CG2-CE3 3.74Å; T258-W349 HydrophobicContact CG2-CG 4.06Å; T258-W349 HydrophobicContact CG2-CH2 4.06Å; T258-W349 HydrophobicContact CG2-CZ2 3.88Å; T258-W349 HydrophobicContact CG2-CZ3 3.98Å; T258-Y350 WeakPolarHBondContact OG1-CD2 3.41Å; T258-Y350 PolarHBondContact OG1-N 3.38Å; T258-Y350 VanDerWaalsContact OG1-N 3.09Å
259	A	97.3	Very high	97.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-92.3	2.4	172.2	0	0	0	0	0	113.7	P107 P109 A256 L257 Y350 I431	P107-A259 WeakPolarHBondContact CB-O 3.4Å; P109-A259 HydrophobicContact CG-CB 3.73Å; A256-A259 VanDerWaalsContact O-CB 3.27Å; A256-A259 WeakPolarHBondContact O-CB 3.23Å; A256-A259 PolarHBondContact O-N 3.44Å; L257-A259 PolarHBondContact O-N 3.18Å; A259-Y350 HydrophobicContact CB-CD2 4.47Å; A259-Y350 HydrophobicContact CB-CE2 4.31Å; A259-I431 HydrophobicContact CB-CB 4.1Å; A259-I431 HydrophobicContact CB-CD1 4.2Å; A259-I431 HydrophobicContact CB-CG1 4.35Å
260	L	98.5	Very high	97.9	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-72	158.5	173.6	-70.9	170.4	0	0	0	111.9	L257 R262 K264 W265 V268 M423 Y426 A427	L257-L260 HydrophobicContact CB-CD1 4.46Å; L257-L260 HydrophobicContact CD2-CD1 3.89Å; L257-L260 WeakPolarHBondContact O-CB 3.41Å; L257-L260 WeakPolarHBondContact O-CG 3.39Å; L257-L260 PolarHBondContact O-N 2.93Å; L257-L260 VanDerWaalsContact O-N 3.13Å; L260-R262 PolarHBondContact O-N 3.46Å; L260-K264 HydrophobicContact CB-CB 4.39Å; L260-W265 HydrophobicContact CB-CB 4.07Å; L260-V268 HydrophobicContact CD1-CG2 4.34Å; L260-M423 HydrophobicContact CD1-CE 3.61Å; L260-M423 HydrophobicContact CD2-CE 3.94Å; L260-M423 HydrophobicContact CG-CE 4.45Å; L260-Y426 HydrophobicContact CD2-CD1 3.47Å; L260-Y426 VanDerWaalsContact CD2-CD1 3.47Å; L260-Y426 HydrophobicContact CD2-CE1 3.77Å; L260-A427 HydrophobicContact CD1-CB 4.3Å; L260-A427 HydrophobicContact CD2-CB 3.56Å; L260-A427 HydrophobicContact CG-CB 3.64Å
261	P	97.8	Very high	98.1	Very high	23 Å²	23	27.7 Å²	27.7	15%	0.149	13%	0.132	C	C	.	.			trans	-51.4	139.7	161.7	-25.7	35.1	0	0	0	110.5	P105 P107 N263 K264 W265	P105-P261 CarbonylContact O-C 3.58Å; P105-P261 WeakPolarHBondContact O-CA 3.5Å; P107-P261 HydrophobicContact CG-CG 4.08Å; P261-N263 VanDerWaalsContact C-N 3.28Å; P261-N263 WeakPolarHBondContact CB-OD1 3.49Å; P261-N263 PolarHBondContact O-N 3.48Å; P261-K264 HydrophobicContact CG-CD 4.3Å; P261-K264 WeakPolarHBondContact O-CB 3.36Å; P261-K264 PolarHBondContact O-N 3.27Å; P261-W265 PolarHBondContact O-N 3.04Å
262	R	98.3	Very high	98.2	Very high	1 Å²	1	27 Å²	27	0%	0.004	13%	0.129	C	C	.	.	H	α-helix	trans	-59.3	-38.6	-165.1	-55.7	-51.6	-61.9	165.1	-5.2	113.4	P105 A106 L108 D186 L260 W265 A266 D351	P105-R262 PolarHBondContact O-N 2.92Å; A106-R262 WeakPolarHBondContact O-CD 3.43Å; A106-R262 WeakPolarHBondContact O-CG 3.34Å; L108-R262 VanDerWaalsContact CD1-NH1 3.26Å; D186-R262 IonicContact OD1-NE 2.95Å; D186-R262 IonicContact OD2-CZ 2.67Å; D186-R262 IonicContact OD2-NE 2.88Å; D186-R262 PolarHBondContact OD2-NE 3.23Å; D186-R262 IonicContact OD2-NH2 3.31Å; D186-R262 PolarHBondContact OD2-NH2 3.36Å; L260-R262 PolarHBondContact O-N 3.46Å; R262-W265 PolarHBondContact O-N 3.35Å; R262-A266 WeakPolarHBondContact O-CB 3.49Å; R262-A266 PolarHBondContact O-N 3.34Å; R262-D351 IonicContact CZ-OD1 3.59Å; R262-D351 VanDerWaalsContact CZ-OD1 3.26Å; R262-D351 IonicContact NH1-OD1 3.48Å; R262-D351 PolarHBondContact NH1-OD1 2.91Å; R262-D351 IonicContact NH2-OD1 2.86Å; R262-D351 PolarHBondContact NH2-OD1 2.82Å
263	N	97.9	Very high	98.4	Very high	60 Å²	60	26.8 Å²	26.8	32%	0.321	13%	0.128	S	C	.	.	H	α-helix	trans	-65	-41.3	176.1	62	-35.8	0	0	0	112.8	K183 P261 A266 E267	K183-N263 WeakPolarHBondContact O-CB 3.43Å; P261-N263 VanDerWaalsContact C-N 3.28Å; P261-N263 WeakPolarHBondContact CB-OD1 3.49Å; P261-N263 PolarHBondContact O-N 3.48Å; N263-A266 WeakPolarHBondContact O-CB 3.32Å; N263-A266 PolarHBondContact O-N 3.48Å; N263-E267 PolarHBondContact O-N 3.09Å
264	K	98.2	Very high	98.4	Very high	73 Å²	73	30.5 Å²	30.5	32%	0.317	15%	0.149	S	C	.	.	H	α-helix	trans	-67.9	-41	173.9	-71.8	-175	173.9	-67.8	0	111.3	L260 P261 A266 E267 V268 Y426	L260-K264 HydrophobicContact CB-CB 4.39Å; P261-K264 HydrophobicContact CG-CD 4.3Å; P261-K264 WeakPolarHBondContact O-CB 3.36Å; P261-K264 PolarHBondContact O-N 3.27Å; K264-A266 VanDerWaalsContact C-N 3.27Å; K264-A266 PolarHBondContact O-N 3.46Å; K264-E267 PolarHBondContact O-N 2.86Å; K264-V268 WeakPolarHBondContact O-CG2 3.35Å; K264-V268 PolarHBondContact O-N 3.47Å; K264-V268 VanDerWaalsContact O-N 3.14Å; K264-Y426 HydrophobicContact CD-CE1 3.79Å
265	W	98.5	Very high	98.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.2	-40.1	174.8	-176.4	-150.4	0	0	0	110.9	P181 L257 T258 L260 P261 R262 E267 V268 Y269 L272 L282 W349 D351	P181-W265 HydrophobicContact CB-CB 4.02Å; P181-W265 VanDerWaalsContact CB-CD1 3.42Å; P181-W265 HydrophobicContact CB-CG 3.84Å; P181-W265 VanDerWaalsContact CG-CD1 3.44Å; P181-W265 HydrophobicContact CG-CD2 4.32Å; P181-W265 HydrophobicContact CG-CG 3.88Å; L257-W265 HydrophobicContact CB-CD2 4.41Å; L257-W265 HydrophobicContact CB-CE3 3.69Å; L257-W265 HydrophobicContact CB-CH2 3.91Å; L257-W265 HydrophobicContact CB-CZ3 3.44Å; L257-W265 VanDerWaalsContact CB-CZ3 3.44Å; L257-W265 HydrophobicContact CD1-CH2 4.31Å; L257-W265 HydrophobicContact CD1-CZ3 3.84Å; L257-W265 HydrophobicContact CG-CZ3 4.19Å; T258-W265 HydrophobicContact CG2-CZ2 3.98Å; L260-W265 HydrophobicContact CB-CB 4.07Å; P261-W265 PolarHBondContact O-N 3.04Å; R262-W265 PolarHBondContact O-N 3.35Å; W265-E267 PolarHBondContact O-N 3.38Å; W265-V268 HydrophobicContact CE3-CB 3.92Å; W265-V268 HydrophobicContact CE3-CG1 4.26Å; W265-V268 HydrophobicContact CZ3-CB 4.02Å; W265-V268 HydrophobicContact CZ3-CG1 3.88Å; W265-V268 PolarHBondContact O-N 2.85Å; W265-Y269 AromaticContact CE2-CD2 3.97Å; W265-Y269 HydrophobicContact CH2-CD2 4Å; W265-Y269 AromaticContact CZ2-CD2 3.59Å; W265-Y269 HydrophobicContact CZ2-CD2 3.59Å; W265-Y269 HydrophobicContact CZ2-CE2 4.41Å; W265-Y269 HydrophobicContact CZ2-CG 4.49Å; W265-Y269 WeakPolarHBondContact O-CB 3.43Å; W265-Y269 PolarHBondContact O-N 2.82Å; W265-L272 HydrophobicContact CH2-CD1 4.04Å; W265-L272 HydrophobicContact CZ3-CD1 4.05Å; W265-L282 HydrophobicContact CH2-CD2 4.44Å; W265-W349 HydrophobicContact CH2-CH2 4.16Å; W265-W349 AromaticContact CZ2-CH2 3.92Å; W265-W349 HydrophobicContact CZ2-CH2 3.92Å; W265-W349 AromaticContact CZ2-CZ2 3.97Å; W265-W349 HydrophobicContact CZ2-CZ2 3.97Å; W265-D351 PolarHBondContact NE1-OD2 3.4Å
266	A	98.8	Very high	98.4	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-60.5	-42.7	177.1	0	0	0	0	0	112.6	P181 G182 K183 R262 N263 K264 Y269 E270	P181-A266 HydrophobicContact CB-CB 4.04Å; G182-A266 VanDerWaalsContact C-CB 3.4Å; K183-A266 HydrophobicContact CG-CB 3.92Å; R262-A266 WeakPolarHBondContact O-CB 3.49Å; R262-A266 PolarHBondContact O-N 3.34Å; N263-A266 WeakPolarHBondContact O-CB 3.32Å; N263-A266 PolarHBondContact O-N 3.48Å; K264-A266 VanDerWaalsContact C-N 3.27Å; K264-A266 PolarHBondContact O-N 3.46Å; A266-Y269 PolarHBondContact O-N 3.49Å; A266-E270 WeakPolarHBondContact O-CB 3.47Å; A266-E270 WeakPolarHBondContact O-CG 3.41Å; A266-E270 PolarHBondContact O-N 2.8Å
267	E	98.6	Very high	98.4	Very high	107 Å²	107	41.6 Å²	41.6	50%	0.5	21%	0.211	S	C	.	.	H	α-helix	trans	-60.9	-46.5	175.7	-70.6	169.2	-169.3	0	0	112	N263 K264 W265 H271	N263-E267 PolarHBondContact O-N 3.09Å; K264-E267 PolarHBondContact O-N 2.86Å; W265-E267 PolarHBondContact O-N 3.38Å; E267-H271 WeakPolarHBondContact O-CB 3.44Å; E267-H271 PolarHBondContact O-N 2.85Å; E267-H271 VanDerWaalsContact O-N 3.11Å
268	V	98.6	Very high	98.4	Very high	9 Å²	9	41.6 Å²	41.6	6%	0.055	21%	0.211	C	C	.	.	H	α-helix	trans	-69.2	-40.2	178.4	-177.5	0	0	0	0	111	L257 L260 K264 W265 E270 H271 L272 M423	L257-V268 HydrophobicContact CD1-CG1 4.05Å; L257-V268 HydrophobicContact CD2-CG1 4.18Å; L260-V268 HydrophobicContact CD1-CG2 4.34Å; K264-V268 WeakPolarHBondContact O-CG2 3.35Å; K264-V268 PolarHBondContact O-N 3.47Å; K264-V268 VanDerWaalsContact O-N 3.14Å; W265-V268 HydrophobicContact CE3-CB 3.92Å; W265-V268 HydrophobicContact CE3-CG1 4.26Å; W265-V268 HydrophobicContact CZ3-CB 4.02Å; W265-V268 HydrophobicContact CZ3-CG1 3.88Å; W265-V268 PolarHBondContact O-N 2.85Å; V268-E270 PolarHBondContact O-N 3.01Å; V268-H271 PolarHBondContact O-N 3.46Å; V268-L272 HydrophobicContact CG1-CD1 4.18Å; V268-L272 HydrophobicContact CG1-CG 4.17Å; V268-L272 VanDerWaalsContact O-CG 3.3Å; V268-L272 WeakPolarHBondContact O-CG 3.26Å; V268-L272 PolarHBondContact O-N 3.25Å; V268-M423 HydrophobicContact CG2-CB 4Å; V268-M423 HydrophobicContact CG2-CE 3.91Å; V268-M423 HydrophobicContact CG2-CG 3.8Å
269	Y	98.7	Very high	98.4	Very high	29 Å²	29	44.9 Å²	44.9	11%	0.114	23%	0.226	C	C	.	.	H	α-helix	trans	-59.6	-46.9	177.8	-172	-74.4	0	0	0	111.2	Y180 P181 W265 A266 H271 L272 C273 L282	Y180-Y269 HydrophobicContact CD1-CE1 4.5Å; Y180-Y269 HydrophobicContact CD1-CE2 4.47Å; Y180-Y269 AromaticContact CD1-CZ 3.98Å; Y180-Y269 WeakPolarHBondContact CE1-OH 3.02Å; P181-Y269 HydrophobicContact CG-CD2 3.88Å; P181-Y269 HydrophobicContact CG-CG 3.91Å; W265-Y269 AromaticContact CE2-CD2 3.97Å; W265-Y269 HydrophobicContact CH2-CD2 4Å; W265-Y269 AromaticContact CZ2-CD2 3.59Å; W265-Y269 HydrophobicContact CZ2-CD2 3.59Å; W265-Y269 HydrophobicContact CZ2-CE2 4.41Å; W265-Y269 HydrophobicContact CZ2-CG 4.49Å; W265-Y269 WeakPolarHBondContact O-CB 3.43Å; W265-Y269 PolarHBondContact O-N 2.82Å; A266-Y269 PolarHBondContact O-N 3.49Å; Y269-H271 VanDerWaalsContact C-N 3.33Å; Y269-H271 PolarHBondContact O-N 3.38Å; Y269-L272 PolarHBondContact O-N 2.81Å; Y269-C273 WeakPolarHBondContact CE1-SG 3.33Å; Y269-C273 PolarHBondContact O-N 3.24Å; Y269-C273 VanDerWaalsContact O-N 3.09Å; Y269-C273 PolarHBondContact O-SG 2.97Å; Y269-L282 HydrophobicContact CD2-CD1 4.24Å; Y269-L282 HydrophobicContact CD2-CD2 4.18Å; Y269-L282 HydrophobicContact CE1-CD1 4.28Å; Y269-L282 HydrophobicContact CE2-CB 4.25Å; Y269-L282 HydrophobicContact CE2-CD1 4Å; Y269-L282 HydrophobicContact CE2-CD2 3.81Å; Y269-L282 HydrophobicContact CE2-CG 4.24Å; Y269-L282 HydrophobicContact CG-CD1 4.49Å
270	E	98.5	Very high	98.5	Very high	95 Å²	95	46.2 Å²	46.2	44%	0.444	24%	0.24	S	C	.	.	H	α-helix	trans	-61.5	-40.8	175.5	-75.7	176	-161.5	0	0	112	K183 A266 V268 C273	K183-E270 VanDerWaalsContact CE-CD 3.46Å; K183-E270 WeakPolarHBondContact CE-OE1 3.39Å; K183-E270 WeakPolarHBondContact CE-OE2 3.49Å; K183-E270 IonicContact NZ-OE1 3Å; K183-E270 PolarHBondContact NZ-OE1 2.95Å; K183-E270 IonicContact NZ-OE2 3.9Å; K183-E270 PolarHBondContact NZ-OE2 3.41Å; A266-E270 WeakPolarHBondContact O-CB 3.47Å; A266-E270 WeakPolarHBondContact O-CG 3.41Å; A266-E270 PolarHBondContact O-N 2.8Å; V268-E270 PolarHBondContact O-N 3.01Å; E270-C273 PolarHBondContact O-N 2.66Å
271	H	98.5	Very high	98.5	Very high	55 Å²	55	46.6 Å²	46.6	26%	0.255	24%	0.242	S	C	.	.	H	α-helix	trans	-65	-46.3	176.8	-174.3	66.4	0	0	0	112.2	E267 V268 Y269 C273 Q274 D417 S420	E267-H271 WeakPolarHBondContact O-CB 3.44Å; E267-H271 PolarHBondContact O-N 2.85Å; E267-H271 VanDerWaalsContact O-N 3.11Å; V268-H271 PolarHBondContact O-N 3.46Å; Y269-H271 VanDerWaalsContact C-N 3.33Å; Y269-H271 PolarHBondContact O-N 3.38Å; H271-C273 PolarHBondContact O-N 3.25Å; H271-Q274 VanDerWaalsContact O-CB 3.28Å; H271-Q274 WeakPolarHBondContact O-CB 3.41Å; H271-Q274 WeakPolarHBondContact O-CG 3.46Å; H271-Q274 PolarHBondContact O-N 2.79Å; H271-D417 IonicContact CD2-OD2 3.2Å; H271-D417 IonicContact CE1-OD2 3.59Å; H271-D417 PolarHBondContact CE1-OD2 3.38Å; H271-D417 IonicContact NE2-OD1 3.83Å; H271-D417 IonicContact NE2-OD2 3.48Å; H271-D417 PolarHBondContact NE2-OD2 2.77Å; H271-S420 PolarHBondContact CD2-OG 2.89Å
272	L	98.6	Very high	98.5	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.016	24%	0.235	C	C	.	.	H	α-helix	trans	-58.9	-36	176.2	-70.3	179.3	0	0	0	111.9	L257 W265 V268 Y269 Q274 D275 N278 L282 L416	L257-L272 HydrophobicContact CD1-CD1 4.04Å; W265-L272 HydrophobicContact CH2-CD1 4.04Å; W265-L272 HydrophobicContact CZ3-CD1 4.05Å; V268-L272 HydrophobicContact CG1-CD1 4.18Å; V268-L272 HydrophobicContact CG1-CG 4.17Å; V268-L272 VanDerWaalsContact O-CG 3.3Å; V268-L272 WeakPolarHBondContact O-CG 3.26Å; V268-L272 PolarHBondContact O-N 3.25Å; Y269-L272 PolarHBondContact O-N 2.81Å; L272-Q274 PolarHBondContact O-N 2.83Å; L272-D275 PolarHBondContact O-N 2.86Å; L272-N278 HydrophobicContact CB-CB 4.38Å; L272-N278 WeakPolarHBondContact O-CB 3.29Å; L272-L282 HydrophobicContact CB-CD1 3.99Å; L272-L416 HydrophobicContact CD2-CD2 3.43Å; L272-L416 VanDerWaalsContact CD2-CD2 3.43Å
273	C	98.5	Very high	98.5	Very high	36 Å²	36	50.1 Å²	50.1	24%	0.243	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-9.4	177.8	-68.6	0	0	0	0	114.4	Y269 E270 H271 D275 E279	Y269-C273 WeakPolarHBondContact CE1-SG 3.33Å; Y269-C273 PolarHBondContact O-N 3.24Å; Y269-C273 VanDerWaalsContact O-N 3.09Å; Y269-C273 PolarHBondContact O-SG 2.97Å; E270-C273 PolarHBondContact O-N 2.66Å; H271-C273 PolarHBondContact O-N 3.25Å; C273-D275 VanDerWaalsContact C-N 3.28Å; C273-E279 HydrophobicContact CB-CB 4.46Å; C273-E279 HydrophobicContact CB-CG 4.06Å
274	Q	98.4	Very high	98.5	Very high	147 Å²	147	48.5 Å²	48.5	69%	0.687	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-25	174.1	-60.8	179.2	6.5	0	0	112.2	H271 L272	H271-Q274 VanDerWaalsContact O-CB 3.28Å; H271-Q274 WeakPolarHBondContact O-CB 3.41Å; H271-Q274 WeakPolarHBondContact O-CG 3.46Å; H271-Q274 PolarHBondContact O-N 2.79Å; L272-Q274 PolarHBondContact O-N 2.83Å
275	D	98.6	Very high	98.5	Very high	47 Å²	47	45 Å²	45	25%	0.251	23%	0.232	S	C	.	.	S	Bend	trans	-90.3	124.5	171.8	178.2	-78.8	0	0	0	109.9	L272 C273 E277 N278 E279 N415	L272-D275 PolarHBondContact O-N 2.86Å; C273-D275 VanDerWaalsContact C-N 3.28Å; D275-E277 VanDerWaalsContact C-N 3.31Å; D275-E277 PolarHBondContact O-N 2.86Å; D275-E277 WeakPolarHBondContact OD1-CA 3.23Å; D275-E277 VanDerWaalsContact OD1-CB 3.31Å; D275-E277 WeakPolarHBondContact OD1-CB 3.44Å; D275-E277 PolarHBondContact OD1-N 2.82Å; D275-N278 HydrophobicContact CB-CB 4.07Å; D275-N278 PolarHBondContact O-N 3.05Å; D275-N278 PolarHBondContact OD1-N 3.39Å; D275-E279 WeakPolarHBondContact O-CB 3.36Å; D275-E279 PolarHBondContact O-N 2.96Å; D275-N415 PolarHBondContact OD1-ND2 3.46Å; D275-N415 WeakPolarHBondContact OD2-CB 3.4Å; D275-N415 PolarHBondContact OD2-ND2 3.32Å
276	P	98.6	Very high	98.5	Very high	103 Å²	103	45.3 Å²	45.3	67%	0.669	24%	0.235	S	C	*	.	H	α-helix	trans	-61.8	-31	-177.1	-26.3	35.2	0	0	0	115.2	G280	P276-G280 PolarHBondContact O-N 3.39Å
277	E	98.5	Very high	98.4	Very high	83 Å²	83	52.1 Å²	52.1	39%	0.388	26%	0.264	S	S	.	.	H	α-helix	trans	-72.4	-45.7	178.7	-176.9	169.3	-155	0	0	110.3	D275 G280 N281 K413 N415	D275-E277 VanDerWaalsContact C-N 3.31Å; D275-E277 PolarHBondContact O-N 2.86Å; D275-E277 WeakPolarHBondContact OD1-CA 3.23Å; D275-E277 VanDerWaalsContact OD1-CB 3.31Å; D275-E277 WeakPolarHBondContact OD1-CB 3.44Å; D275-E277 PolarHBondContact OD1-N 2.82Å; E277-G280 PolarHBondContact O-N 3.49Å; E277-N281 PolarHBondContact O-N 2.78Å; E277-N281 PolarHBondContact O-ND2 3.27Å; E277-N281 PolarHBondContact O-OD1 3.13Å; E277-K413 WeakPolarHBondContact OE1-CB 3.3Å; E277-N415 PolarHBondContact OE2-ND2 3.09Å
278	N	98.8	Very high	98.3	Very high	2 Å²	2	47 Å²	47	1%	0.011	24%	0.24	C	C	.	.	H	α-helix	trans	-61.4	-45	174	-69	-17.6	0	0	0	112.1	L272 D275 G280 N281 L282 W414 N415	L272-N278 HydrophobicContact CB-CB 4.38Å; L272-N278 WeakPolarHBondContact O-CB 3.29Å; D275-N278 HydrophobicContact CB-CB 4.07Å; D275-N278 PolarHBondContact O-N 3.05Å; D275-N278 PolarHBondContact OD1-N 3.39Å; N278-G280 VanDerWaalsContact C-N 3.3Å; N278-G280 PolarHBondContact O-N 2.82Å; N278-N281 WeakPolarHBondContact O-CB 3.18Å; N278-N281 PolarHBondContact O-N 2.86Å; N278-N281 VanDerWaalsContact O-N 3.17Å; N278-L282 WeakPolarHBondContact O-CG 2.9Å; N278-L282 PolarHBondContact O-N 3.21Å; N278-W414 HydrophobicContact CB-CE3 4.29Å; N278-W414 HydrophobicContact CB-CZ3 4.41Å; N278-W414 WeakPolarHBondContact OD1-CA 3.47Å; N278-N415 PolarHBondContact ND2-O 2.89Å; N278-N415 PolarHBondContact OD1-N 3.23Å
279	E	98.8	Very high	98.2	Very high	69 Å²	69	47 Å²	47	32%	0.322	24%	0.239	S	C	.	.	H	α-helix	trans	-58.9	-43.7	176.4	-162.5	-155.5	-164.8	0	0	111	C273 D275 N281 L282 K283	C273-E279 HydrophobicContact CB-CB 4.46Å; C273-E279 HydrophobicContact CB-CG 4.06Å; D275-E279 WeakPolarHBondContact O-CB 3.36Å; D275-E279 PolarHBondContact O-N 2.96Å; E279-N281 PolarHBondContact O-N 3.43Å; E279-L282 PolarHBondContact O-N 3.36Å; E279-K283 HydrophobicContact CG-CD 4.42Å; E279-K283 WeakPolarHBondContact O-CB 3.18Å; E279-K283 WeakPolarHBondContact O-CG 3.46Å; E279-K283 PolarHBondContact O-N 2.85Å; E279-K283 VanDerWaalsContact OE1-CE 3.31Å; E279-K283 WeakPolarHBondContact OE1-CE 3.49Å; E279-K283 IonicContact OE1-NZ 3.07Å; E279-K283 PolarHBondContact OE1-NZ 3.34Å; E279-K283 IonicContact OE2-NZ 2.72Å; E279-K283 PolarHBondContact OE2-NZ 3.16Å
280	G	98.7	Very high	98.2	Very high	28 Å²	28	45.6 Å²	45.6	29%	0.289	23%	0.234	S	C	.	.	H	α-helix	trans	-60.6	-41.5	174.5	0	0	0	0	0	113	P276 E277 N278 T284	P276-G280 PolarHBondContact O-N 3.39Å; E277-G280 PolarHBondContact O-N 3.49Å; N278-G280 VanDerWaalsContact C-N 3.3Å; N278-G280 PolarHBondContact O-N 2.82Å; G280-T284 WeakPolarHBondContact O-CB 3.48Å; G280-T284 PolarHBondContact O-N 3.26Å; G280-T284 PolarHBondContact O-OG1 2.94Å
281	N	98.8	Very high	98.2	Very high	8 Å²	8	41 Å²	41	4%	0.043	21%	0.213	C	C	.	.	H	α-helix	trans	-65.4	-46.8	176.4	-68.1	-20.7	0	0	0	112	E277 N278 E279 K283 T284 I285 L412 K413 W414	E277-N281 PolarHBondContact O-N 2.78Å; E277-N281 PolarHBondContact O-ND2 3.27Å; E277-N281 PolarHBondContact O-OD1 3.13Å; N278-N281 WeakPolarHBondContact O-CB 3.18Å; N278-N281 PolarHBondContact O-N 2.86Å; N278-N281 VanDerWaalsContact O-N 3.17Å; E279-N281 PolarHBondContact O-N 3.43Å; N281-K283 VanDerWaalsContact C-N 3.35Å; N281-K283 PolarHBondContact O-N 2.58Å; N281-T284 WeakPolarHBondContact O-CA 3.32Å; N281-T284 WeakPolarHBondContact O-CB 3.42Å; N281-T284 PolarHBondContact O-N 3.48Å; N281-T284 VanDerWaalsContact O-N 3.1Å; N281-I285 WeakPolarHBondContact O-CG1 3.17Å; N281-I285 PolarHBondContact O-N 2.67Å; N281-L412 HydrophobicContact CB-CD1 4.28Å; N281-L412 WeakPolarHBondContact OD1-CD2 3.2Å; N281-K413 PolarHBondContact ND2-O 2.89Å; N281-W414 HydrophobicContact CB-CE3 4.48Å; N281-W414 HydrophobicContact CB-CH2 3.69Å; N281-W414 HydrophobicContact CB-CZ2 3.88Å; N281-W414 HydrophobicContact CB-CZ3 4Å
282	L	98.8	Very high	98.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60	-45	177.6	-69	169.7	0	0	0	111.1	W265 Y269 L272 N278 E279 T284 I285 A286 W349 W414	W265-L282 HydrophobicContact CH2-CD2 4.44Å; Y269-L282 HydrophobicContact CD2-CD1 4.24Å; Y269-L282 HydrophobicContact CD2-CD2 4.18Å; Y269-L282 HydrophobicContact CE1-CD1 4.28Å; Y269-L282 HydrophobicContact CE2-CB 4.25Å; Y269-L282 HydrophobicContact CE2-CD1 4Å; Y269-L282 HydrophobicContact CE2-CD2 3.81Å; Y269-L282 HydrophobicContact CE2-CG 4.24Å; Y269-L282 HydrophobicContact CG-CD1 4.49Å; L272-L282 HydrophobicContact CB-CD1 3.99Å; N278-L282 WeakPolarHBondContact O-CG 2.9Å; N278-L282 PolarHBondContact O-N 3.21Å; E279-L282 PolarHBondContact O-N 3.36Å; L282-T284 VanDerWaalsContact C-N 3.32Å; L282-T284 PolarHBondContact O-N 2.95Å; L282-I285 PolarHBondContact O-N 3.26Å; L282-A286 WeakPolarHBondContact O-CB 3.4Å; L282-A286 PolarHBondContact O-N 3.24Å; L282-W349 HydrophobicContact CD2-CH2 3.61Å; L282-W349 HydrophobicContact CD2-CZ2 3.72Å; L282-W414 HydrophobicContact CD2-CH2 3.93Å; L282-W414 HydrophobicContact CD2-CZ3 4.14Å; L282-W414 HydrophobicContact CG-CH2 4.18Å; L282-W414 HydrophobicContact CG-CZ3 4.11Å
283	K	97.7	Very high	98.2	Very high	98 Å²	98	38.3 Å²	38.3	43%	0.426	20%	0.2	S	C	.	.	H	α-helix	trans	-60.4	-41.2	173.1	-74.1	171.6	-177.9	166.1	0	111.9	E279 N281 A286 K287	E279-K283 HydrophobicContact CG-CD 4.42Å; E279-K283 WeakPolarHBondContact O-CB 3.18Å; E279-K283 WeakPolarHBondContact O-CG 3.46Å; E279-K283 PolarHBondContact O-N 2.85Å; E279-K283 VanDerWaalsContact OE1-CE 3.31Å; E279-K283 WeakPolarHBondContact OE1-CE 3.49Å; E279-K283 IonicContact OE1-NZ 3.07Å; E279-K283 PolarHBondContact OE1-NZ 3.34Å; E279-K283 IonicContact OE2-NZ 2.72Å; E279-K283 PolarHBondContact OE2-NZ 3.16Å; N281-K283 VanDerWaalsContact C-N 3.35Å; N281-K283 PolarHBondContact O-N 2.58Å; K283-A286 PolarHBondContact O-N 3.14Å; K283-K287 WeakPolarHBondContact O-CB 3.35Å; K283-K287 WeakPolarHBondContact O-CG 3.39Å; K283-K287 PolarHBondContact O-N 2.97Å
284	T	98.2	Very high	98.2	Very high	25 Å²	25	36.6 Å²	36.6	15%	0.153	19%	0.188	C	C	.	.	H	α-helix	trans	-62.8	-46.2	177.3	-60	0	0	0	0	111.1	H201 I203 V212 G280 N281 L282 S288	H201-T284 PolarHBondContact NE2-O 3.11Å; I203-T284 HydrophobicContact CD1-CG2 4.34Å; V212-T284 HydrophobicContact CG1-CG2 4.37Å; V212-T284 HydrophobicContact CG2-CG2 3.64Å; G280-T284 WeakPolarHBondContact O-CB 3.48Å; G280-T284 PolarHBondContact O-N 3.26Å; G280-T284 PolarHBondContact O-OG1 2.94Å; N281-T284 WeakPolarHBondContact O-CA 3.32Å; N281-T284 WeakPolarHBondContact O-CB 3.42Å; N281-T284 PolarHBondContact O-N 3.48Å; N281-T284 VanDerWaalsContact O-N 3.1Å; L282-T284 VanDerWaalsContact C-N 3.32Å; L282-T284 PolarHBondContact O-N 2.95Å; T284-S288 PolarHBondContact O-N 2.89Å
285	I	98.7	Very high	98.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.5	-46.8	177.7	-65.5	167.1	0	0	0	110.4	I203 F210 N281 L282 K287 S288 W349 L412 W414	I203-I285 HydrophobicContact CD1-CG1 4.14Å; I203-I285 HydrophobicContact CG1-CB 4.45Å; I203-I285 HydrophobicContact CG1-CG1 4.16Å; I203-I285 HydrophobicContact CG1-CG2 4.47Å; F210-I285 HydrophobicContact CD1-CD1 3.99Å; F210-I285 HydrophobicContact CE1-CD1 4.25Å; N281-I285 WeakPolarHBondContact O-CG1 3.17Å; N281-I285 PolarHBondContact O-N 2.67Å; L282-I285 PolarHBondContact O-N 3.26Å; I285-K287 VanDerWaalsContact C-N 3.34Å; I285-K287 PolarHBondContact O-N 2.75Å; I285-S288 WeakPolarHBondContact O-CB 3.41Å; I285-S288 PolarHBondContact O-N 3.25Å; I285-S288 PolarHBondContact O-OG 2.92Å; I285-W349 HydrophobicContact CD1-CD2 4.27Å; I285-W349 HydrophobicContact CD1-CE3 4.17Å; I285-W349 HydrophobicContact CD1-CH2 4.1Å; I285-W349 HydrophobicContact CD1-CZ2 4.2Å; I285-W349 HydrophobicContact CD1-CZ3 4.09Å; I285-W349 HydrophobicContact CG2-CD2 3.87Å; I285-W349 HydrophobicContact CG2-CG 3.79Å; I285-W349 HydrophobicContact CG2-CZ2 4.37Å; I285-L412 HydrophobicContact CD1-CD1 3.89Å; I285-L412 HydrophobicContact CG1-CD1 3.76Å; I285-W414 HydrophobicContact CD1-CH2 4.1Å; I285-W414 HydrophobicContact CD1-CZ2 3.89Å
286	A	97.7	Very high	97.9	Very high	7 Å²	7	30.9 Å²	30.9	6%	0.058	16%	0.159	C	C	.	.	H	α-helix	trans	-59.4	-43.7	-179.2	0	0	0	0	0	112.7	Y178 Y180 L282 K283 S288 K352	Y178-A286 HydrophobicContact CD1-CB 4Å; Y178-A286 VanDerWaalsContact CD2-CA 3.48Å; Y178-A286 HydrophobicContact CD2-CB 3.83Å; Y178-A286 HydrophobicContact CE1-CB 4.14Å; Y178-A286 HydrophobicContact CE2-CB 3.93Å; Y178-A286 HydrophobicContact CG-CB 3.84Å; Y180-A286 HydrophobicContact CE1-CB 4.32Å; Y180-A286 WeakPolarHBondContact OH-CB 3.28Å; L282-A286 WeakPolarHBondContact O-CB 3.4Å; L282-A286 PolarHBondContact O-N 3.24Å; K283-A286 PolarHBondContact O-N 3.14Å; A286-S288 VanDerWaalsContact C-N 3.32Å; A286-S288 PolarHBondContact O-N 2.72Å; A286-K352 PolarHBondContact O-NZ 3.3Å
287	K	95.6	Very high	97.6	Very high	144 Å²	144	28.1 Å²	28.1	63%	0.626	14%	0.141	S	C	*	.	H	α-helix	trans	-72.2	-15.2	179.2	-76.1	-174.4	171.8	-167.1	0	115.2	K283 I285	K283-K287 WeakPolarHBondContact O-CB 3.35Å; K283-K287 WeakPolarHBondContact O-CG 3.39Å; K283-K287 PolarHBondContact O-N 2.97Å; I285-K287 VanDerWaalsContact C-N 3.34Å; I285-K287 PolarHBondContact O-N 2.75Å
288	S	97.5	Very high	97.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-59	156.3	-179.6	67.3	0	0	0	0	111.9	H201 T284 I285 A286 K352	H201-S288 WeakPolarHBondContact NE2-CA 3.45Å; H201-S288 WeakPolarHBondContact O-CA 3.4Å; T284-S288 PolarHBondContact O-N 2.89Å; I285-S288 WeakPolarHBondContact O-CB 3.41Å; I285-S288 PolarHBondContact O-N 3.25Å; I285-S288 PolarHBondContact O-OG 2.92Å; A286-S288 VanDerWaalsContact C-N 3.32Å; A286-S288 PolarHBondContact O-N 2.72Å; S288-K352 WeakPolarHBondContact O-CE 3.5Å; S288-K352 PolarHBondContact O-NZ 2.72Å
289	M	96.1	Very high	96.3	Very high	7 Å²	7	29.5 Å²	29.5	3%	0.034	15%	0.148	C	C	.	.	S	Bend	trans	-66.5	-49.4	174.7	-60.4	-177.1	179.5	0	0	111.3	L141 K144 F175 E200 H201 I202 V215 I216 K352	L141-M289 HydrophobicContact CD2-CE 3.68Å; L141-M289 HydrophobicContact CD2-SD 3.52Å; L141-M289 VanDerWaalsContact CD2-SD 3.52Å; K144-M289 HydrophobicContact CD-CE 3.66Å; K144-M289 HydrophobicContact CD-CG 4.14Å; K144-M289 HydrophobicContact CD-SD 3.43Å; K144-M289 WeakPolarHBondContact CD-SD 3.27Å; F175-M289 WeakPolarHBondContact CA-O 3.5Å; E200-M289 HydrophobicContact CB-CE 3.18Å; E200-M289 HydrophobicContact CG-CE 3.86Å; E200-M289 WeakPolarHBondContact OE2-CE 3.42Å; H201-M289 PolarHBondContact O-N 3.48Å; I202-M289 HydrophobicContact CG2-CB 4.33Å; V215-M289 HydrophobicContact CG2-CE 3.91Å; V215-M289 HydrophobicContact CG2-SD 4.2Å; I216-M289 HydrophobicContact CD1-CE 3.81Å; I216-M289 HydrophobicContact CG1-CE 4.28Å; M289-K352 WeakPolarHBondContact O-CE 3.42Å
290	F	98.5	Very high	95.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.174	C	C	.	.			trans	-158.9	169.6	-179	61.2	-92.8	0	0	0	109.4	I137 I140 F175 I202 I203 L292 M354 F356	I137-F290 HydrophobicContact CB-CZ 4.43Å; I137-F290 HydrophobicContact CG1-CE2 4.28Å; I137-F290 HydrophobicContact CG1-CZ 4.07Å; I137-F290 HydrophobicContact CG2-CZ 4.18Å; I140-F290 HydrophobicContact CB-CE1 4.07Å; I140-F290 HydrophobicContact CB-CZ 4.31Å; I140-F290 HydrophobicContact CD1-CE1 4.13Å; I140-F290 HydrophobicContact CD1-CE2 3.96Å; I140-F290 HydrophobicContact CD1-CZ 3.73Å; I140-F290 HydrophobicContact CG2-CD1 3.77Å; I140-F290 HydrophobicContact CG2-CE1 3.38Å; I140-F290 HydrophobicContact CG2-CZ 4.08Å; F175-F290 HydrophobicContact CD1-CB 4.17Å; F175-F290 HydrophobicContact CD1-CD1 4.12Å; F175-F290 HydrophobicContact CE1-CB 4.3Å; F175-F290 HydrophobicContact CE1-CD1 4.13Å; I202-F290 HydrophobicContact CB-CE2 4.4Å; I202-F290 HydrophobicContact CB-CZ 4.43Å; I202-F290 HydrophobicContact CD1-CE2 4.31Å; I202-F290 HydrophobicContact CD1-CZ 4.34Å; I202-F290 HydrophobicContact CG2-CD1 3.97Å; I202-F290 HydrophobicContact CG2-CD2 4.36Å; I202-F290 HydrophobicContact CG2-CE1 3.55Å; I202-F290 HydrophobicContact CG2-CE2 4Å; I202-F290 HydrophobicContact CG2-CG 4.36Å; I202-F290 HydrophobicContact CG2-CZ 3.59Å; I203-F290 PolarHBondContact N-O 2.88Å; F290-L292 HydrophobicContact CE2-CB 4.49Å; F290-M354 WeakPolarHBondContact CA-O 3.41Å; F290-M354 HydrophobicContact CB-CB 3.98Å; F290-M354 WeakPolarHBondContact CB-O 3.37Å; F290-F356 HydrophobicContact CB-CD2 4.3Å; F290-F356 HydrophobicContact CB-CE2 4.14Å; F290-F356 AromaticContact CD2-CD2 3.59Å; F290-F356 HydrophobicContact CD2-CD2 3.59Å; F290-F356 AromaticContact CD2-CE2 3.98Å; F290-F356 HydrophobicContact CD2-CE2 3.98Å; F290-F356 HydrophobicContact CE2-CD2 4.09Å; F290-F356 HydrophobicContact CG-CD2 4.05Å; F290-F356 AromaticContact CG-CE2 3.98Å; F290-F356 HydrophobicContact CG-CE2 3.98Å
291	V	98.9	Very high	93.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	135.5	173.2	171.3	0	0	0	0	109	I203 I205 W349 K352 M354 Q355 F356	I203-V291 HydrophobicContact CB-CG2 4.01Å; I203-V291 HydrophobicContact CG2-CG2 4.42Å; I203-V291 CarbonylContact O-C 3.59Å; I203-V291 WeakPolarHBondContact O-CA 3.36Å; I205-V291 HydrophobicContact CD1-CG1 3.47Å; I205-V291 VanDerWaalsContact CD1-CG1 3.47Å; I205-V291 HydrophobicContact CG1-CG1 3.82Å; V291-W349 HydrophobicContact CG2-CB 4.39Å; V291-K352 HydrophobicContact CG2-CB 3.96Å; V291-K352 HydrophobicContact CG2-CG 3.87Å; V291-M354 PolarHBondContact N-O 2.89Å; V291-Q355 HydrophobicContact CB-CB 4.42Å; V291-Q355 HydrophobicContact CB-CG 4.16Å; V291-Q355 CarbonylContact O-C 3.6Å; V291-Q355 VanDerWaalsContact O-CA 3.31Å; V291-Q355 WeakPolarHBondContact O-CA 3.42Å; V291-F356 PolarHBondContact O-N 3.16Å
292	L	98.9	Very high	92.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	118.2	166.4	176.7	68.5	0	0	0	108.9	A133 I137 I203 V204 I205 L231 F290 L294 F356 I358	A133-L292 HydrophobicContact CB-CD2 4.18Å; I137-L292 HydrophobicContact CD1-CD2 3.9Å; I137-L292 HydrophobicContact CG1-CD2 4.44Å; I203-L292 PolarHBondContact O-N 3.43Å; V204-L292 CarbonylContact C-O 3.56Å; V204-L292 WeakPolarHBondContact CA-O 3.48Å; V204-L292 HydrophobicContact CG1-CD2 4.34Å; V204-L292 HydrophobicContact CG2-CB 4.34Å; V204-L292 HydrophobicContact CG2-CD2 4.38Å; I205-L292 PolarHBondContact N-O 3.41Å; L231-L292 HydrophobicContact CD2-CD2 3.88Å; F290-L292 HydrophobicContact CE2-CB 4.49Å; L292-L294 HydrophobicContact CD2-CD2 4.1Å; L292-L294 HydrophobicContact CD2-CG 4.37Å; L292-L294 HydrophobicContact CG-CD2 4.28Å; L292-L294 HydrophobicContact CG-CG 4.44Å; L292-F356 CarbonylContact C-O 3.59Å; L292-F356 WeakPolarHBondContact CA-O 2.98Å; L292-F356 HydrophobicContact CD1-CB 4.14Å; L292-I358 HydrophobicContact CD1-CD1 3.72Å; L292-I358 HydrophobicContact CD1-CG1 4.09Å
293	C	98.9	Very high	90.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	110	173.9	-56.5	0	0	0	0	109	D295 N347 F356 I357 I358	C293-D295 PolarHBondContact O-N 3.34Å; C293-N347 WeakPolarHBondContact CB-O 3.41Å; C293-N347 PolarHBondContact SG-O 3.21Å; C293-F356 PolarHBondContact N-O 3.48Å; C293-I357 HydrophobicContact CB-CB 4.45Å; C293-I357 HydrophobicContact CB-CG1 3.93Å; C293-I357 WeakPolarHBondContact O-CA 3.48Å; C293-I358 PolarHBondContact O-N 3.26Å
294	L	98.7	Very high	88.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	105.5	168.9	-64.4	178.1	0	0	0	107.4	L130 A133 V204 I205 Y206 T235 L292 N347 I358	L130-L294 HydrophobicContact CD2-CD1 3.8Å; L130-L294 HydrophobicContact CD2-CD2 4.35Å; A133-L294 HydrophobicContact CB-CD2 4.27Å; V204-L294 HydrophobicContact CG1-CD1 3.97Å; V204-L294 HydrophobicContact CG1-CG 4.23Å; I205-L294 PolarHBondContact O-N 2.92Å; Y206-L294 HydrophobicContact CD2-CB 3.64Å; Y206-L294 WeakPolarHBondContact CD2-O 3.33Å; Y206-L294 HydrophobicContact CE2-CB 4.48Å; Y206-L294 HydrophobicContact CG-CB 4.24Å; T235-L294 HydrophobicContact CG2-CD1 3.99Å; L292-L294 HydrophobicContact CD2-CD2 4.1Å; L292-L294 HydrophobicContact CD2-CG 4.37Å; L292-L294 HydrophobicContact CG-CD2 4.28Å; L292-L294 HydrophobicContact CG-CG 4.44Å; L294-N347 PolarHBondContact O-ND2 3.4Å; L294-I358 HydrophobicContact CD2-CB 4.33Å
295	D	97.6	Very high	86.7	Confident	1 Å²	1	50 Å²	50	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	139.9	-174.7	-92.1	15.1	0	0	0	111.6	C293 Q334 N344 N347 R348 I357 I358 R360	C293-D295 PolarHBondContact O-N 3.34Å; D295-Q334 WeakPolarHBondContact OD2-CG 3.36Å; D295-Q334 PolarHBondContact OD2-NE2 3.03Å; D295-N344 WeakPolarHBondContact CA-OD1 3.27Å; D295-N344 PolarHBondContact OD1-OD1 2.99Å; D295-N344 WeakPolarHBondContact OD2-CB 3.28Å; D295-N344 PolarHBondContact OD2-ND2 3.48Å; D295-N347 PolarHBondContact OD1-ND2 3.23Å; D295-R348 IonicContact OD1-CZ 3.52Å; D295-R348 IonicContact OD1-NH1 2.78Å; D295-R348 PolarHBondContact OD1-NH1 3.03Å; D295-R348 IonicContact OD1-NH2 3.96Å; D295-R348 PolarHBondContact OD1-NH2 3.47Å; D295-R348 IonicContact OD2-CZ 3.13Å; D295-R348 IonicContact OD2-NH1 3.4Å; D295-R348 IonicContact OD2-NH2 2.74Å; D295-R348 PolarHBondContact OD2-NH2 2.76Å; D295-I357 HydrophobicContact CB-CG2 4.38Å; D295-I357 WeakPolarHBondContact OD2-CG2 3.44Å; D295-I358 PolarHBondContact N-O 3.25Å; D295-R360 PolarHBondContact O-N 3.36Å; D295-R360 VanDerWaalsContact O-N 3.17Å
296	K	92.6	Very high	84.7	Confident	73 Å²	73	52.6 Å²	52.6	32%	0.317	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-67.1	147.7	163.3	74.1	179.4	177.2	-175.9	0	109	S342 F343 N344	K296-S342 PolarHBondContact NZ-O 2.91Å; K296-F343 WeakPolarHBondContact CE-O 3.42Å; K296-F343 PolarHBondContact NZ-O 3.41Å; K296-N344 WeakPolarHBondContact CG-OD1 3.47Å; K296-N344 PolarHBondContact N-OD1 2.89Å; K296-N344 PolarHBondContact O-ND2 3.33Å
297	P	91.7	Very high	82.6	Confident	45 Å²	45	57.4 Å²	57.4	29%	0.292	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-70.1	148.7	-175.7	32.7	-35.2	0	0	0	110.8	Q299 V301 R360 D361	P297-Q299 WeakPolarHBondContact CB-O 3.3Å; P297-V301 HydrophobicContact CB-CG2 3.64Å; P297-V301 HydrophobicContact CG-CG2 4.1Å; P297-R360 HydrophobicContact CB-CB 4.07Å; P297-R360 HydrophobicContact CG-CB 4.17Å; P297-R360 HydrophobicContact CG-CG 4.42Å; P297-D361 HydrophobicContact CB-CB 3.89Å
298	I	89.6	Confident	80.3	Confident	28 Å²	28	55.2 Å²	55.2	14%	0.144	30%	0.303	C	S	.	.	S	Bend	trans	-85	-31	178.2	-56.9	-55.7	0	0	0	111.1	Q334 M339 F343 D361	I298-Q334 HydrophobicContact CG1-CG 4.48Å; I298-M339 HydrophobicContact CD1-CB 3.8Å; I298-M339 HydrophobicContact CD1-CG 3.62Å; I298-M339 HydrophobicContact CG1-CG 3.9Å; I298-M339 HydrophobicContact CG2-CE 3.9Å; I298-M339 HydrophobicContact CG2-CG 4.34Å; I298-F343 HydrophobicContact CD1-CB 3.92Å; I298-F343 HydrophobicContact CD1-CD1 3.49Å; I298-F343 VanDerWaalsContact CD1-CD1 3.49Å; I298-F343 HydrophobicContact CD1-CE1 4.18Å; I298-F343 HydrophobicContact CD1-CG 3.81Å; I298-F343 HydrophobicContact CG2-CE1 4.41Å; I298-D361 PolarHBondContact N-OD2 2.96Å
299	Q	80.6	Confident	77.7	Confident	87 Å²	87	59.3 Å²	59.3	41%	0.407	33%	0.325	S	S	.	.	S	Bend	trans	-115.9	153.1	172.1	-68.2	-178	-8	0	0	109.6	P297 V301 N324 R326	P297-Q299 WeakPolarHBondContact CB-O 3.3Å; Q299-V301 PolarHBondContact O-N 2.83Å; Q299-N324 PolarHBondContact OE1-O 3.42Å; Q299-R326 VanDerWaalsContact CD-CG 3.43Å; Q299-R326 HydrophobicContact CG-CG 4.11Å
300	A	73.6	Confident	75.2	Confident	105 Å²	105	66.3 Å²	66.3	87%	0.868	36%	0.361	S	S	*	.			trans	-57.7	136.4	178.1	0	0	0	0	0	111
301	V	69.5	Low	72.5	Confident	47 Å²	47	71.9 Å²	71.9	29%	0.285	39%	0.391	S	S	.	.			trans	-108.1	121.4	177.8	-179	0	0	0	0	107.8	P297 Q299 E303 R360 D361	P297-V301 HydrophobicContact CB-CG2 3.64Å; P297-V301 HydrophobicContact CG-CG2 4.1Å; Q299-V301 PolarHBondContact O-N 2.83Å; V301-E303 PolarHBondContact O-N 2.98Å; V301-R360 HydrophobicContact CG2-CG 4.42Å; V301-D361 HydrophobicContact CG2-CB 3.9Å
302	E	65.9	Low	69.7	Low	162 Å²	162	74.2 Å²	74.2	76%	0.757	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-74.1	120.2	170.2	-69.3	-178.7	176.2	0	0	109
303	E	62.4	Low	66.7	Low	138 Å²	138	81.6 Å²	81.6	65%	0.645	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-78.9	123.6	173.5	-59.5	-150.6	135.6	0	0	109.8	V301 R360	V301-E303 PolarHBondContact O-N 2.98Å; E303-R360 IonicContact OE1-CZ 2.71Å; E303-R360 IonicContact OE1-NE 3.32Å; E303-R360 IonicContact OE1-NH2 3.02Å; E303-R360 PolarHBondContact OE1-NH2 2.86Å
304	L	61.1	Low	63.9	Low	99 Å²	99	86 Å²	86	52%	0.518	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-98.7	143	171.4	-64	160.9	0	0	0	108.9	I124 E306	I124-L304 HydrophobicContact CB-CB 4.16Å; I124-L304 HydrophobicContact CB-CD1 4.25Å; I124-L304 HydrophobicContact CG2-CD1 3.82Å; I124-L304 PolarHBondContact O-N 3.12Å; L304-E306 PolarHBondContact O-N 3.37Å
305	D	56.8	Low	60.9	Low	108 Å²	108	92.1 Å²	92.1	58%	0.578	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-65	125.7	176	-169.8	13.3	0	0	0	110.2	T307 T308	D305-T307 VanDerWaalsContact CG-OG1 3.25Å; D305-T307 PolarHBondContact O-N 3.06Å; D305-T307 WeakPolarHBondContact OD2-CG2 3.44Å; D305-T307 PolarHBondContact OD2-OG1 2.95Å; D305-T308 PolarHBondContact O-N 2.65Å; D305-T308 VanDerWaalsContact O-N 3.14Å; D305-T308 PolarHBondContact O-OG1 3.18Å
306	E	55.8	Low	58.1	Low	54 Å²	54	101 Å²	101	25%	0.252	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-62.1	-15.8	-176.6	-71.3	-167.7	163.9	0	0	112.9	S125 R127 L304 T308 D309	S125-E306 WeakPolarHBondContact CB-OE1 3.38Å; S125-E306 PolarHBondContact OG-OE1 2.95Å; R127-E306 VanDerWaalsContact CB-OE1 3.24Å; R127-E306 WeakPolarHBondContact CB-OE1 3.43Å; R127-E306 VanDerWaalsContact CD-OE1 3.25Å; R127-E306 WeakPolarHBondContact CD-OE1 3.46Å; R127-E306 VanDerWaalsContact CD-OE2 3.27Å; R127-E306 WeakPolarHBondContact CD-OE2 3.44Å; R127-E306 WeakPolarHBondContact CG-OE1 3.23Å; R127-E306 IonicContact CZ-OE2 2.78Å; R127-E306 IonicContact NE-OE1 2.62Å; R127-E306 IonicContact NE-OE2 2.71Å; R127-E306 IonicContact NH1-OE2 2.73Å; R127-E306 PolarHBondContact NH1-OE2 3.13Å; L304-E306 PolarHBondContact O-N 3.37Å; E306-T308 PolarHBondContact O-N 3.29Å; E306-D309 PolarHBondContact O-N 2.87Å
307	T	54.3	Low	55.4	Low	108 Å²	108	102.5 Å²	102.5	66%	0.663	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-56.5	-19.1	174.1	59.3	0	0	0	0	112.7	D305	D305-T307 VanDerWaalsContact CG-OG1 3.25Å; D305-T307 PolarHBondContact O-N 3.06Å; D305-T307 WeakPolarHBondContact OD2-CG2 3.44Å; D305-T307 PolarHBondContact OD2-OG1 2.95Å
308	T	47.3	Very low	52.8	Low	98 Å²	98	106.8 Å²	106.8	60%	0.601	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-80.9	-16.6	-177.4	50.8	0	0	0	0	116.2	D305 E306	D305-T308 PolarHBondContact O-N 2.65Å; D305-T308 VanDerWaalsContact O-N 3.14Å; D305-T308 PolarHBondContact O-OG1 3.18Å; E306-T308 PolarHBondContact O-N 3.29Å
309	D	42.8	Very low	50.6	Low	85 Å²	85	110.4 Å²	110.4	46%	0.455	60%	0.6	S	S	.	*			trans	-165.3	100	168.3	-130.8	-27.3	0	0	0	113.5	E306 N311	E306-D309 PolarHBondContact O-N 2.87Å; D309-N311 PolarHBondContact O-N 3.45Å
310	I	44.1	Very low	48.8	Very low	154 Å²	154	110.8 Å²	110.8	79%	0.79	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-16.4	-179.3	-61.8	171.4	0	0	0	111.9
311	N	41.4	Very low	47.2	Very low	117 Å²	117	112.6 Å²	112.6	63%	0.626	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	5	-169.9	-71	-38.2	0	0	0	115.7	D309 F313	D309-N311 PolarHBondContact O-N 3.45Å; N311-F313 HydrophobicContact CB-CD2 3.6Å; N311-F313 HydrophobicContact CB-CE2 3.92Å; N311-F313 WeakPolarHBondContact O-CD2 3.31Å; N311-F313 PolarHBondContact O-N 2.86Å
312	G	39.5	Very low	46.2	Very low	50 Å²	50	114.8 Å²	114.8	52%	0.515	62%	0.618	S	S	.	*			trans	55.2	20.2	170.7	0	0	0	0	0	114.7	L314	G312-L314 PolarHBondContact O-N 3.21Å
313	F	36.7	Very low	45.4	Very low	154 Å²	154	115.3 Å²	115.3	68%	0.675	63%	0.625	S	S	*	*			trans	-73.9	87.1	172	-79.6	-81.2	0	0	0	106.8	N311 N315	N311-F313 HydrophobicContact CB-CD2 3.6Å; N311-F313 HydrophobicContact CB-CE2 3.92Å; N311-F313 WeakPolarHBondContact O-CD2 3.31Å; N311-F313 PolarHBondContact O-N 2.86Å; F313-N315 VanDerWaalsContact C-N 3.28Å; F313-N315 PolarHBondContact O-N 2.98Å
314	L	40.5	Very low	45.1	Very low	93 Å²	93	114.9 Å²	114.9	49%	0.487	63%	0.627	S	S	.	*			trans	-62.4	99.6	163	-67	175.8	0	0	0	106.4	G312 E316	G312-L314 PolarHBondContact O-N 3.21Å; L314-E316 PolarHBondContact O-N 3.46Å
315	N	35.2	Very low	45.6	Very low	128 Å²	128	115 Å²	115	68%	0.684	62%	0.623	S	S	*	*			trans	-57.1	106	161	-82.9	-27.4	0	0	0	106.3	F313 T317	F313-N315 VanDerWaalsContact C-N 3.28Å; F313-N315 PolarHBondContact O-N 2.98Å; N315-T317 PolarHBondContact O-N 3.19Å
316	E	39.3	Very low	47	Very low	188 Å²	188	110.5 Å²	110.5	88%	0.879	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	10.8	168	-74.4	-178.5	163.3	0	0	112.4	L314	L314-E316 PolarHBondContact O-N 3.46Å
317	T	35.1	Very low	48.6	Very low	105 Å²	105	112.5 Å²	112.5	64%	0.644	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	9.3	-161.6	62.5	0	0	0	0	116.2	N315	N315-T317 PolarHBondContact O-N 3.19Å
318	N	37.5	Very low	50.5	Low	134 Å²	134	108.7 Å²	108.7	72%	0.717	59%	0.586	S	S	*	*			trans	-115.2	60.8	171.8	-83.5	-8.8	0	0	0	112.2	S320	N318-S320 PolarHBondContact O-N 3.14Å
319	D	42.7	Very low	52.9	Low	104 Å²	104	105.9 Å²	105.9	56%	0.556	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-63.4	-1.3	167.7	-104.5	-22.6	0	0	0	113.3	N322 K325	D319-N322 PolarHBondContact O-ND2 2.95Å; D319-K325 IonicContact OD1-NZ 3.26Å; D319-K325 PolarHBondContact OD1-NZ 3.33Å
320	S	43.3	Very low	55.4	Low	95 Å²	95	102.7 Å²	102.7	66%	0.664	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-77.5	-20.2	-176.2	58.6	0	0	0	0	114.7	N318 N322	N318-S320 PolarHBondContact O-N 3.14Å; S320-N322 PolarHBondContact O-N 3.15Å
321	N	40.4	Very low	57.8	Low	144 Å²	144	95.7 Å²	95.7	77%	0.77	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-89.2	39.4	175.1	-81.9	1.2	0	0	0	112.6	L323	N321-L323 PolarHBondContact O-N 3.38Å
322	N	48.2	Very low	60.5	Low	93 Å²	93	90.1 Å²	90.1	50%	0.497	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-62.1	-9.7	-173.8	-114.8	-23.6	0	0	0	115.4	D319 S320 N324 K325	D319-N322 PolarHBondContact O-ND2 2.95Å; S320-N322 PolarHBondContact O-N 3.15Å; N322-N324 VanDerWaalsContact C-N 3.26Å; N322-N324 PolarHBondContact O-N 3.49Å; N322-K325 PolarHBondContact O-N 2.88Å; N322-K325 VanDerWaalsContact OD1-CD 3.28Å; N322-K325 WeakPolarHBondContact OD1-CD 3.43Å
323	L	48.5	Very low	63.3	Low	173 Å²	173	89.2 Å²	89.2	91%	0.906	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-64	-27.6	-176.4	-83.4	153.2	0	0	0	113.6	N321	N321-L323 PolarHBondContact O-N 3.38Å
324	N	57	Low	66.2	Low	128 Å²	128	81.9 Å²	81.9	68%	0.684	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-106.2	12.7	-178.9	-67.8	-11.9	0	0	0	113.3	Q299 N322 R326	Q299-N324 PolarHBondContact OE1-O 3.42Å; N322-N324 VanDerWaalsContact C-N 3.26Å; N322-N324 PolarHBondContact O-N 3.49Å; N324-R326 PolarHBondContact O-N 3.45Å
325	K	71.1	Confident	68.9	Low	102 Å²	102	77.5 Å²	77.5	44%	0.443	42%	0.415	S	S	.	.			trans	-83.7	109.5	-178.4	-170.2	170	-171.8	174.9	0	109.4	D319 N322 D327	D319-K325 IonicContact OD1-NZ 3.26Å; D319-K325 PolarHBondContact OD1-NZ 3.33Å; N322-K325 PolarHBondContact O-N 2.88Å; N322-K325 VanDerWaalsContact OD1-CD 3.28Å; N322-K325 WeakPolarHBondContact OD1-CD 3.43Å; K325-D327 PolarHBondContact O-N 3.34Å
326	R	86	Confident	72	Confident	13 Å²	13	71.4 Å²	71.4	5%	0.049	38%	0.383	C	S	.	.			trans	-51.3	137.8	173	-72.9	-173.3	65	-162.4	-1.2	111.6	R120 Q299 N324 S330 L331 D361	R120-R326 PolarHBondContact NH1-O 2.82Å; R120-R326 PolarHBondContact NH2-O 2.95Å; Q299-R326 VanDerWaalsContact CD-CG 3.43Å; Q299-R326 HydrophobicContact CG-CG 4.11Å; N324-R326 PolarHBondContact O-N 3.45Å; R326-S330 PolarHBondContact NE-OG 2.69Å; R326-S330 PolarHBondContact NH2-O 3.29Å; R326-S330 PolarHBondContact NH2-OG 3.09Å; R326-L331 HydrophobicContact CB-CD2 4.03Å; R326-D361 WeakPolarHBondContact CD-OD2 3.38Å; R326-D361 IonicContact CZ-OD2 3.3Å; R326-D361 IonicContact NE-OD2 2.82Å; R326-D361 IonicContact NH1-OD1 2.73Å; R326-D361 IonicContact NH1-OD2 3.55Å; R326-D361 PolarHBondContact NH1-OD2 3.38Å
327	D	90.7	Very high	74.7	Confident	97 Å²	97	62.8 Å²	62.8	52%	0.519	34%	0.343	S	S	.	.			trans	-72.4	162.5	175.4	63	22.2	0	0	0	111.9	K325 V329 S330 L331	K325-D327 PolarHBondContact O-N 3.34Å; D327-V329 PolarHBondContact O-N 2.74Å; D327-V329 PolarHBondContact OD1-N 2.83Å; D327-S330 PolarHBondContact O-N 3.41Å; D327-S330 PolarHBondContact O-OG 3Å; D327-S330 WeakPolarHBondContact OD1-CB 3.47Å; D327-S330 PolarHBondContact OD1-N 2.89Å; D327-S330 PolarHBondContact OD1-OG 3.4Å; D327-L331 WeakPolarHBondContact O-CG 2.99Å; D327-L331 PolarHBondContact O-N 3.39Å
328	D	93.9	Very high	77.7	Confident	27 Å²	27	57.8 Å²	57.8	14%	0.144	31%	0.312	C	S	.	.	H	α-helix	trans	-64.2	-29.2	-178.1	-73.8	-10.9	0	0	0	113.1	R120 L331 A332 I442 R444 F595	R120-D328 IonicContact CZ-OD1 3.26Å; R120-D328 IonicContact NE-OD1 2.63Å; R120-D328 IonicContact NH2-OD1 2.83Å; R120-D328 PolarHBondContact NH2-OD1 3.43Å; D328-L331 PolarHBondContact O-N 3.35Å; D328-A332 WeakPolarHBondContact O-CB 3.4Å; D328-A332 PolarHBondContact O-N 3.3Å; D328-I442 HydrophobicContact CB-CB 4.18Å; D328-I442 HydrophobicContact CB-CD1 4.35Å; D328-I442 HydrophobicContact CB-CG1 4.2Å; D328-I442 HydrophobicContact CB-CG2 4.31Å; D328-R444 IonicContact OD1-NH2 3.91Å; D328-R444 IonicContact OD2-CZ 2.68Å; D328-R444 IonicContact OD2-NE 3.82Å; D328-R444 PolarHBondContact OD2-NE 3.23Å; D328-R444 IonicContact OD2-NH2 3.13Å; D328-R444 PolarHBondContact OD2-NH2 3.08Å; D328-F595 HydrophobicContact CB-CE1 4.2Å; D328-F595 HydrophobicContact CB-CZ 3.87Å
329	V	96.5	Very high	80.5	Confident	39 Å²	39	53.8 Å²	53.8	24%	0.236	29%	0.29	C	S	.	.	H	α-helix	trans	-61.6	-52.8	176.9	176.6	0	0	0	0	109.3	D327 L331 A332 L333 L440 I442	D327-V329 PolarHBondContact O-N 2.74Å; D327-V329 PolarHBondContact OD1-N 2.83Å; V329-L331 VanDerWaalsContact C-N 3.29Å; V329-L331 PolarHBondContact O-N 3.13Å; V329-A332 WeakPolarHBondContact O-CB 3.45Å; V329-A332 PolarHBondContact O-N 3.25Å; V329-A332 VanDerWaalsContact O-N 3.13Å; V329-L333 HydrophobicContact CG1-CD1 3.86Å; V329-L333 HydrophobicContact CG1-CG 4.23Å; V329-L333 VanDerWaalsContact O-CG 3.3Å; V329-L333 WeakPolarHBondContact O-CG 3.24Å; V329-L333 PolarHBondContact O-N 2.79Å; V329-L440 HydrophobicContact CG1-CB 4.36Å; V329-L440 HydrophobicContact CG1-CD2 4.41Å; V329-I442 VanDerWaalsContact CA-CD1 3.48Å; V329-I442 HydrophobicContact CB-CD1 4.04Å; V329-I442 HydrophobicContact CG2-CD1 3.48Å; V329-I442 VanDerWaalsContact CG2-CD1 3.48Å
330	S	95.2	Very high	83	Confident	18 Å²	18	49 Å²	49	13%	0.126	27%	0.265	C	S	.	.	H	α-helix	trans	-63.5	-34.7	-179.4	72.3	0	0	0	0	112.3	R326 D327 Q334	R326-S330 PolarHBondContact NE-OG 2.69Å; R326-S330 PolarHBondContact NH2-O 3.29Å; R326-S330 PolarHBondContact NH2-OG 3.09Å; D327-S330 PolarHBondContact O-N 3.41Å; D327-S330 PolarHBondContact O-OG 3Å; D327-S330 WeakPolarHBondContact OD1-CB 3.47Å; D327-S330 PolarHBondContact OD1-N 2.89Å; D327-S330 PolarHBondContact OD1-OG 3.4Å; S330-Q334 PolarHBondContact O-N 2.8Å; S330-Q334 VanDerWaalsContact O-N 3.17Å
331	L	95.9	Very high	85.5	Confident	7 Å²	7	45.3 Å²	45.3	4%	0.037	24%	0.239	C	C	.	.	H	α-helix	trans	-61.6	-46	174	-59.9	-178.3	0	0	0	111.3	V117 R120 R326 D327 D328 V329 Q334 L335 N363	V117-L331 HydrophobicContact CG1-CB 4.18Å; V117-L331 HydrophobicContact CG1-CD1 4.17Å; V117-L331 HydrophobicContact CG2-CB 4.22Å; R120-L331 HydrophobicContact CG-CD1 4.29Å; R326-L331 HydrophobicContact CB-CD2 4.03Å; D327-L331 WeakPolarHBondContact O-CG 2.99Å; D327-L331 PolarHBondContact O-N 3.39Å; D328-L331 PolarHBondContact O-N 3.35Å; V329-L331 VanDerWaalsContact C-N 3.29Å; V329-L331 PolarHBondContact O-N 3.13Å; L331-Q334 PolarHBondContact O-N 3.41Å; L331-L335 PolarHBondContact O-N 2.83Å; L331-N363 HydrophobicContact CD2-CB 3.71Å; L331-N363 VanDerWaalsContact CD2-CG 3.43Å; L331-N363 PolarHBondContact O-ND2 3.2Å
332	A	97.7	Very high	88.1	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.9	-45.7	179.3	0	0	0	0	0	112.2	V117 D328 V329 Q334 L335 L336 L440 F595 C597	V117-A332 HydrophobicContact CG2-CB 4.28Å; D328-A332 WeakPolarHBondContact O-CB 3.4Å; D328-A332 PolarHBondContact O-N 3.3Å; V329-A332 WeakPolarHBondContact O-CB 3.45Å; V329-A332 PolarHBondContact O-N 3.25Å; V329-A332 VanDerWaalsContact O-N 3.13Å; A332-Q334 VanDerWaalsContact C-N 3.3Å; A332-Q334 PolarHBondContact O-N 2.77Å; A332-L335 PolarHBondContact O-N 2.97Å; A332-L335 VanDerWaalsContact O-N 3.08Å; A332-L336 WeakPolarHBondContact O-CG 3.2Å; A332-L336 PolarHBondContact O-N 3.26Å; A332-L440 HydrophobicContact CB-CD2 3.63Å; A332-F595 HydrophobicContact CB-CE2 4.04Å; A332-C597 HydrophobicContact CB-CB 4.32Å
333	L	97.9	Very high	90.3	Very high	32 Å²	32	41.7 Å²	41.7	17%	0.168	22%	0.224	C	C	.	.	H	α-helix	trans	-60.4	-38.1	179	-67.6	177.7	0	0	0	112.1	V329 L335 L336 H337 G338 M339 L438 L440	V329-L333 HydrophobicContact CG1-CD1 3.86Å; V329-L333 HydrophobicContact CG1-CG 4.23Å; V329-L333 VanDerWaalsContact O-CG 3.3Å; V329-L333 WeakPolarHBondContact O-CG 3.24Å; V329-L333 PolarHBondContact O-N 2.79Å; L333-L335 VanDerWaalsContact C-N 3.3Å; L333-L335 PolarHBondContact O-N 2.82Å; L333-L336 PolarHBondContact O-N 3.46Å; L333-H337 WeakPolarHBondContact CB-NE2 3.46Å; L333-H337 WeakPolarHBondContact CD2-NE2 3.38Å; L333-H337 PolarHBondContact O-CD2 3.05Å; L333-H337 VanDerWaalsContact O-CD2 3.29Å; L333-H337 PolarHBondContact O-N 2.9Å; L333-H337 PolarHBondContact O-NE2 3.42Å; L333-G338 PolarHBondContact O-N 3.38Å; L333-M339 HydrophobicContact CB-SD 3.78Å; L333-L438 HydrophobicContact CD2-CD2 3.75Å; L333-L438 HydrophobicContact CD2-CG 4.44Å; L333-L440 HydrophobicContact CD2-CB 4.36Å; L333-L440 HydrophobicContact CD2-CD2 3.94Å; L333-L440 HydrophobicContact CG-CD2 4.25Å
334	Q	97.8	Very high	92.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62	-36.7	174.2	-175.6	176.7	6.4	0	0	113	D295 I298 S330 L331 A332 G338 M339 R348 S359 N363	D295-Q334 WeakPolarHBondContact OD2-CG 3.36Å; D295-Q334 PolarHBondContact OD2-NE2 3.03Å; I298-Q334 HydrophobicContact CG1-CG 4.48Å; S330-Q334 PolarHBondContact O-N 2.8Å; S330-Q334 VanDerWaalsContact O-N 3.17Å; L331-Q334 PolarHBondContact O-N 3.41Å; A332-Q334 VanDerWaalsContact C-N 3.3Å; A332-Q334 PolarHBondContact O-N 2.77Å; Q334-G338 WeakPolarHBondContact O-CA 3.42Å; Q334-G338 PolarHBondContact O-N 2.93Å; Q334-M339 HydrophobicContact CB-CG 3.84Å; Q334-M339 HydrophobicContact CG-CG 4.35Å; Q334-R348 PolarHBondContact O-NH2 3.4Å; Q334-S359 VanDerWaalsContact NE2-CB 3.28Å; Q334-S359 PolarHBondContact NE2-OG 2.84Å; Q334-N363 PolarHBondContact OE1-ND2 3.1Å
335	L	98.1	Very high	94.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-78	-32.3	178.8	-58.8	-175.9	0	0	0	112.5	M116 V117 L331 A332 L333 I357 N367	M116-L335 WeakPolarHBondContact O-CD1 3.33Å; V117-L335 VanDerWaalsContact CA-CD1 3.5Å; V117-L335 HydrophobicContact CB-CD1 4.11Å; V117-L335 HydrophobicContact CG2-CD1 3.57Å; V117-L335 HydrophobicContact CG2-CG 4.48Å; L331-L335 PolarHBondContact O-N 2.83Å; A332-L335 PolarHBondContact O-N 2.97Å; A332-L335 VanDerWaalsContact O-N 3.08Å; L333-L335 VanDerWaalsContact C-N 3.3Å; L333-L335 PolarHBondContact O-N 2.82Å; L335-I357 HydrophobicContact CB-CD1 4.36Å; L335-I357 HydrophobicContact CD2-CB 3.73Å; L335-I357 HydrophobicContact CD2-CD1 3.69Å; L335-I357 HydrophobicContact CD2-CG1 4.31Å; L335-I357 HydrophobicContact CD2-CG2 3.83Å; L335-N367 WeakPolarHBondContact O-CB 3.44Å; L335-N367 PolarHBondContact O-ND2 3.18Å
336	L	98.3	Very high	95.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-72	-44	179.1	-73.3	171.1	0	0	0	112.8	I110 A332 L333 L438 L440 C597	I110-L336 HydrophobicContact CG1-CB 4.03Å; A332-L336 WeakPolarHBondContact O-CG 3.2Å; A332-L336 PolarHBondContact O-N 3.26Å; L333-L336 PolarHBondContact O-N 3.46Å; L336-L438 HydrophobicContact CD1-CD2 3.85Å; L336-L440 HydrophobicContact CD1-CD2 4.45Å; L336-C597 HydrophobicContact CD1-CB 4.23Å; L336-C597 VanDerWaalsContact CG-SG 3.56Å
337	H	97.4	Very high	96.5	Very high	7 Å²	7	22.1 Å²	22.1	3%	0.032	13%	0.126	C	C	.	.	H	α-helix	trans	-147.7	12.6	-170.5	60.3	81.4	0	0	0	114.4	I110 L333 M339 G340 A345 Y350 I431 A435	I110-H337 HydrophobicContact CD1-CB 4.14Å; I110-H337 HydrophobicContact CG1-CB 4.4Å; L333-H337 WeakPolarHBondContact CB-NE2 3.46Å; L333-H337 WeakPolarHBondContact CD2-NE2 3.38Å; L333-H337 PolarHBondContact O-CD2 3.05Å; L333-H337 VanDerWaalsContact O-CD2 3.29Å; L333-H337 PolarHBondContact O-N 2.9Å; L333-H337 PolarHBondContact O-NE2 3.42Å; H337-M339 VanDerWaalsContact C-N 3.3Å; H337-M339 PolarHBondContact ND1-N 2.87Å; H337-M339 PolarHBondContact O-N 2.79Å; H337-G340 PolarHBondContact ND1-N 3.49Å; H337-G340 PolarHBondContact O-N 3.05Å; H337-A345 WeakPolarHBondContact O-CA 3.22Å; H337-A345 WeakPolarHBondContact O-CB 3.47Å; H337-Y350 WeakPolarHBondContact CA-OH 3.12Å; H337-I431 HydrophobicContact CB-CD1 3.81Å; H337-I431 HydrophobicContact CB-CG1 4.2Å; H337-A435 VanDerWaalsContact CE1-CB 3.48Å; H337-A435 WeakPolarHBondContact CE1-CB 3.2Å; H337-A435 WeakPolarHBondContact ND1-CB 3.38Å
338	G	97.7	Very high	96.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	17.7	175.6	0	0	0	0	0	115.2	L333 Q334 G340 F343 N344	L333-G338 PolarHBondContact O-N 3.38Å; Q334-G338 WeakPolarHBondContact O-CA 3.42Å; Q334-G338 PolarHBondContact O-N 2.93Å; G338-G340 PolarHBondContact O-N 3.39Å; G338-F343 VanDerWaalsContact O-CB 3.28Å; G338-F343 WeakPolarHBondContact O-CB 3.29Å; G338-N344 WeakPolarHBondContact O-CA 3.44Å; G338-N344 WeakPolarHBondContact O-CB 3.25Å; G338-N344 PolarHBondContact O-N 3.08Å
339	M	95.6	Very high	97.1	Very high	51 Å²	51	16.2 Å²	16.2	25%	0.251	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	22.9	-173.1	-61.7	-74.9	-62.5	0	0	114.3	I298 L333 Q334 H337 F343	I298-M339 HydrophobicContact CD1-CB 3.8Å; I298-M339 HydrophobicContact CD1-CG 3.62Å; I298-M339 HydrophobicContact CG1-CG 3.9Å; I298-M339 HydrophobicContact CG2-CE 3.9Å; I298-M339 HydrophobicContact CG2-CG 4.34Å; L333-M339 HydrophobicContact CB-SD 3.78Å; Q334-M339 HydrophobicContact CB-CG 3.84Å; Q334-M339 HydrophobicContact CG-CG 4.35Å; H337-M339 VanDerWaalsContact C-N 3.3Å; H337-M339 PolarHBondContact ND1-N 2.87Å; H337-M339 PolarHBondContact O-N 2.79Å; M339-F343 HydrophobicContact CB-CB 3.89Å; M339-F343 HydrophobicContact CB-CD2 4.02Å; M339-F343 HydrophobicContact CB-CG 4.06Å; M339-F343 WeakPolarHBondContact O-CD2 3.34Å
340	G	95.2	Very high	97.2	Very high	4 Å²	4	14.4 Å²	14.4	4%	0.041	8%	0.083	C	C	.	.	S	Bend	trans	90.2	175.2	175.3	0	0	0	0	0	114.3	H337 G338 S342 F343 N344 A345 D432	H337-G340 PolarHBondContact ND1-N 3.49Å; H337-G340 PolarHBondContact O-N 3.05Å; G338-G340 PolarHBondContact O-N 3.39Å; G340-S342 VanDerWaalsContact C-N 3.25Å; G340-S342 PolarHBondContact O-N 3.35Å; G340-F343 CarbonylContact O-C 3.52Å; G340-F343 WeakPolarHBondContact O-CA 3.39Å; G340-F343 PolarHBondContact O-N 3.5Å; G340-N344 PolarHBondContact O-N 3.27Å; G340-A345 VanDerWaalsContact O-CB 3.26Å; G340-A345 WeakPolarHBondContact O-CB 3.47Å; G340-A345 PolarHBondContact O-N 3.03Å; G340-D432 VanDerWaalsContact CA-OD1 3.26Å; G340-D432 WeakPolarHBondContact CA-OD1 3.27Å
341	S	96.1	Very high	97.4	Very high	17 Å²	17	13.5 Å²	13.5	12%	0.119	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-28.3	-170.9	76.4	0	0	0	0	113.1	R253 F343 D432	R253-S341 VanDerWaalsContact CZ-O 3.31Å; R253-S341 PolarHBondContact NH1-O 3.25Å; R253-S341 PolarHBondContact NH2-O 3.48Å; S341-F343 PolarHBondContact O-N 3.22Å; S341-D432 WeakPolarHBondContact CB-OD1 3.48Å; S341-D432 WeakPolarHBondContact CB-OD2 3.36Å; S341-D432 PolarHBondContact N-OD1 3.31Å; S341-D432 VanDerWaalsContact OG-CG 3.31Å; S341-D432 PolarHBondContact OG-OD1 3.49Å; S341-D432 PolarHBondContact OG-OD2 3.4Å
342	S	94.5	Very high	97.5	Very high	92 Å²	92	13.3 Å²	13.3	64%	0.643	8%	0.076	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-17.2	175	-66.6	0	0	0	0	112.3	K296 G340	K296-S342 PolarHBondContact NZ-O 2.91Å; G340-S342 VanDerWaalsContact C-N 3.25Å; G340-S342 PolarHBondContact O-N 3.35Å
343	F	95.6	Very high	97.5	Very high	69 Å²	69	13.3 Å²	13.3	30%	0.303	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-110.1	-180	-69.5	-82.9	0	0	0	112.1	K296 I298 G338 M339 G340 S341	K296-F343 WeakPolarHBondContact CE-O 3.42Å; K296-F343 PolarHBondContact NZ-O 3.41Å; I298-F343 HydrophobicContact CD1-CB 3.92Å; I298-F343 HydrophobicContact CD1-CD1 3.49Å; I298-F343 VanDerWaalsContact CD1-CD1 3.49Å; I298-F343 HydrophobicContact CD1-CE1 4.18Å; I298-F343 HydrophobicContact CD1-CG 3.81Å; I298-F343 HydrophobicContact CG2-CE1 4.41Å; G338-F343 VanDerWaalsContact O-CB 3.28Å; G338-F343 WeakPolarHBondContact O-CB 3.29Å; M339-F343 HydrophobicContact CB-CB 3.89Å; M339-F343 HydrophobicContact CB-CD2 4.02Å; M339-F343 HydrophobicContact CB-CG 4.06Å; M339-F343 WeakPolarHBondContact O-CD2 3.34Å; G340-F343 CarbonylContact O-C 3.52Å; G340-F343 WeakPolarHBondContact O-CA 3.39Å; G340-F343 PolarHBondContact O-N 3.5Å; S341-F343 PolarHBondContact O-N 3.22Å
344	N	98	Very high	97.5	Very high	4 Å²	4	11.8 Å²	11.8	2%	0.021	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	12.8	-167.5	-63.8	-72.4	0	0	0	112.5	D295 K296 G338 G340 A346 N347	D295-N344 WeakPolarHBondContact CA-OD1 3.27Å; D295-N344 PolarHBondContact OD1-OD1 2.99Å; D295-N344 WeakPolarHBondContact OD2-CB 3.28Å; D295-N344 PolarHBondContact OD2-ND2 3.48Å; K296-N344 WeakPolarHBondContact CG-OD1 3.47Å; K296-N344 PolarHBondContact N-OD1 2.89Å; K296-N344 PolarHBondContact O-ND2 3.33Å; G338-N344 WeakPolarHBondContact O-CA 3.44Å; G338-N344 WeakPolarHBondContact O-CB 3.25Å; G338-N344 PolarHBondContact O-N 3.08Å; G340-N344 PolarHBondContact O-N 3.27Å; N344-A346 VanDerWaalsContact C-N 3.25Å; N344-A346 PolarHBondContact O-N 2.86Å; N344-N347 HydrophobicContact CB-CB 4.1Å; N344-N347 VanDerWaalsContact O-CB 3.32Å; N344-N347 WeakPolarHBondContact O-CB 3.43Å; N344-N347 PolarHBondContact O-N 3.34Å
345	A	97.6	Very high	97.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-31.4	-176.1	0	0	0	0	0	114	H337 G340 I431	H337-A345 WeakPolarHBondContact O-CA 3.22Å; H337-A345 WeakPolarHBondContact O-CB 3.47Å; G340-A345 VanDerWaalsContact O-CB 3.26Å; G340-A345 WeakPolarHBondContact O-CB 3.47Å; G340-A345 PolarHBondContact O-N 3.03Å; A345-I431 HydrophobicContact CB-CG1 4.05Å; A345-I431 HydrophobicContact CB-CG2 3.81Å
346	A	98.3	Very high	97.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-7.5	174.2	0	0	0	0	0	113.6	D208 R253 A256 N344 R348 L428	D208-A346 HydrophobicContact CB-CB 4.26Å; D208-A346 VanDerWaalsContact OD1-C 3.26Å; R253-A346 HydrophobicContact CB-CB 3.88Å; A256-A346 HydrophobicContact CB-CB 4.09Å; N344-A346 VanDerWaalsContact C-N 3.25Å; N344-A346 PolarHBondContact O-N 2.86Å; A346-R348 PolarHBondContact O-N 2.88Å; A346-L428 HydrophobicContact CB-CD2 4.08Å
347	N	98.5	Very high	97.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	-83.5	38.8	177.7	-159.9	49.8	0	0	0	110.7	I205 Y206 D208 C293 L294 D295 N344	I205-N347 VanDerWaalsContact C-OD1 3.32Å; I205-N347 WeakPolarHBondContact CG2-OD1 3.13Å; I205-N347 PolarHBondContact O-OD1 3.39Å; Y206-N347 PolarHBondContact N-OD1 2.82Å; D208-N347 PolarHBondContact N-OD1 3.31Å; D208-N347 WeakPolarHBondContact OD1-CA 3.22Å; D208-N347 WeakPolarHBondContact OD1-CB 3.31Å; D208-N347 PolarHBondContact OD1-N 2.94Å; C293-N347 WeakPolarHBondContact CB-O 3.41Å; C293-N347 PolarHBondContact SG-O 3.21Å; L294-N347 PolarHBondContact O-ND2 3.4Å; D295-N347 PolarHBondContact OD1-ND2 3.23Å; N344-N347 HydrophobicContact CB-CB 4.1Å; N344-N347 VanDerWaalsContact O-CB 3.32Å; N344-N347 WeakPolarHBondContact O-CB 3.43Å; N344-N347 PolarHBondContact O-N 3.34Å
348	R	98.5	Very high	97.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.067	C	C	.	.			trans	-146.2	160.3	-167.8	-62.4	-69.2	-176.5	-81.1	-1.8	110.6	G255 D295 Q334 A346 Y350	G255-R348 WeakPolarHBondContact CA-O 3.48Å; D295-R348 IonicContact OD1-CZ 3.52Å; D295-R348 IonicContact OD1-NH1 2.78Å; D295-R348 PolarHBondContact OD1-NH1 3.03Å; D295-R348 IonicContact OD1-NH2 3.96Å; D295-R348 PolarHBondContact OD1-NH2 3.47Å; D295-R348 IonicContact OD2-CZ 3.13Å; D295-R348 IonicContact OD2-NH1 3.4Å; D295-R348 IonicContact OD2-NH2 2.74Å; D295-R348 PolarHBondContact OD2-NH2 2.76Å; Q334-R348 PolarHBondContact O-NH2 3.4Å; A346-R348 PolarHBondContact O-N 2.88Å; R348-Y350 HydrophobicContact CB-CD2 4.13Å; R348-Y350 HydrophobicContact CB-CE1 4.36Å; R348-Y350 HydrophobicContact CB-CE2 3.54Å; R348-Y350 HydrophobicContact CG-CE1 4.43Å; R348-Y350 HydrophobicContact CG-CE2 4.12Å
349	W	98.7	Very high	97.5	Very high	1 Å²	1	11.5 Å²	11.5	0%	0.004	7%	0.067	C	C	.	.			trans	-145.7	85.1	171.2	-165.5	-86.7	0	0	0	110.4	Y178 I205 F210 T258 W265 L282 I285 V291 D351 K352 Q355 W414	Y178-W349 AromaticContact CE2-CD1 3.99Å; Y178-W349 AromaticContact CE2-NE1 3.53Å; Y178-W349 AromaticContact CZ-NE1 3.6Å; Y178-W349 PolarHBondContact OH-NE1 3.19Å; I205-W349 HydrophobicContact CD1-CB 4.43Å; F210-W349 HydrophobicContact CE1-CB 4.33Å; F210-W349 HydrophobicContact CE1-CD2 4.33Å; F210-W349 AromaticContact CE1-CE3 3.66Å; F210-W349 HydrophobicContact CE1-CE3 3.66Å; F210-W349 HydrophobicContact CE1-CZ3 4.4Å; F210-W349 AromaticContact CZ-CE3 3.87Å; F210-W349 HydrophobicContact CZ-CE3 3.87Å; T258-W349 HydrophobicContact CG2-CD2 3.56Å; T258-W349 HydrophobicContact CG2-CE3 3.74Å; T258-W349 HydrophobicContact CG2-CG 4.06Å; T258-W349 HydrophobicContact CG2-CH2 4.06Å; T258-W349 HydrophobicContact CG2-CZ2 3.88Å; T258-W349 HydrophobicContact CG2-CZ3 3.98Å; W265-W349 HydrophobicContact CH2-CH2 4.16Å; W265-W349 AromaticContact CZ2-CH2 3.92Å; W265-W349 HydrophobicContact CZ2-CH2 3.92Å; W265-W349 AromaticContact CZ2-CZ2 3.97Å; W265-W349 HydrophobicContact CZ2-CZ2 3.97Å; L282-W349 HydrophobicContact CD2-CH2 3.61Å; L282-W349 HydrophobicContact CD2-CZ2 3.72Å; I285-W349 HydrophobicContact CD1-CD2 4.27Å; I285-W349 HydrophobicContact CD1-CE3 4.17Å; I285-W349 HydrophobicContact CD1-CH2 4.1Å; I285-W349 HydrophobicContact CD1-CZ2 4.2Å; I285-W349 HydrophobicContact CD1-CZ3 4.09Å; I285-W349 HydrophobicContact CG2-CD2 3.87Å; I285-W349 HydrophobicContact CG2-CG 3.79Å; I285-W349 HydrophobicContact CG2-CZ2 4.37Å; V291-W349 HydrophobicContact CG2-CB 4.39Å; W349-D351 PolarHBondContact O-N 2.99Å; W349-D351 VanDerWaalsContact O-N 3.16Å; W349-K352 PolarHBondContact O-N 2.77Å; W349-Q355 PolarHBondContact O-NE2 3.35Å; W349-Q355 PolarHBondContact O-OE1 3.07Å; W349-W414 HydrophobicContact CH2-CH2 4.44Å
350	Y	98.5	Very high	97.3	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-18.9	-166.6	-63.5	-82.6	0	0	0	115.3	L108 P109 T258 A259 H337 R348 K352	L108-Y350 WeakPolarHBondContact CD1-O 3.46Å; P109-Y350 HydrophobicContact CB-CD1 4.23Å; P109-Y350 HydrophobicContact CB-CE1 3.82Å; P109-Y350 HydrophobicContact CB-CE2 4.25Å; P109-Y350 HydrophobicContact CG-CD1 3.87Å; P109-Y350 HydrophobicContact CG-CD2 3.54Å; P109-Y350 HydrophobicContact CG-CE1 3.77Å; P109-Y350 HydrophobicContact CG-CE2 3.46Å; P109-Y350 VanDerWaalsContact CG-CE2 3.46Å; P109-Y350 HydrophobicContact CG-CG 3.74Å; T258-Y350 WeakPolarHBondContact OG1-CD2 3.41Å; T258-Y350 PolarHBondContact OG1-N 3.38Å; T258-Y350 VanDerWaalsContact OG1-N 3.09Å; A259-Y350 HydrophobicContact CB-CD2 4.47Å; A259-Y350 HydrophobicContact CB-CE2 4.31Å; H337-Y350 WeakPolarHBondContact CA-OH 3.12Å; R348-Y350 HydrophobicContact CB-CD2 4.13Å; R348-Y350 HydrophobicContact CB-CE1 4.36Å; R348-Y350 HydrophobicContact CB-CE2 3.54Å; R348-Y350 HydrophobicContact CG-CE1 4.43Å; R348-Y350 HydrophobicContact CG-CE2 4.12Å; Y350-K352 PolarHBondContact O-N 3.26Å
351	D	98.6	Very high	97	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-20.5	173.9	-68.4	-9.7	0	0	0	112.6	L108 Y178 R179 R262 W265 W349	L108-D351 WeakPolarHBondContact CD1-OD1 3.4Å; Y178-D351 HydrophobicContact CD2-CB 4.49Å; Y178-D351 HydrophobicContact CE1-CB 3.89Å; Y178-D351 HydrophobicContact CE2-CB 3.7Å; Y178-D351 WeakPolarHBondContact OH-CB 3.42Å; Y178-D351 PolarHBondContact OH-OD2 3.36Å; Y178-D351 VanDerWaalsContact OH-OD2 3.07Å; R179-D351 PolarHBondContact N-O 2.94Å; R179-D351 VanDerWaalsContact N-O 3.13Å; R179-D351 VanDerWaalsContact O-CB 3.3Å; R179-D351 WeakPolarHBondContact O-CB 3.31Å; R262-D351 IonicContact CZ-OD1 3.59Å; R262-D351 VanDerWaalsContact CZ-OD1 3.26Å; R262-D351 IonicContact NH1-OD1 3.48Å; R262-D351 PolarHBondContact NH1-OD1 2.91Å; R262-D351 IonicContact NH2-OD1 2.86Å; R262-D351 PolarHBondContact NH2-OD1 2.82Å; W265-D351 PolarHBondContact NE1-OD2 3.4Å; W349-D351 PolarHBondContact O-N 2.99Å; W349-D351 VanDerWaalsContact O-N 3.16Å
352	K	98.5	Very high	96.7	Very high	2 Å²	2	11 Å²	11	1%	0.009	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	-82	131	179.9	-170.8	61.1	-179.8	168.7	0	110.5	S177 Y178 A286 S288 M289 V291 W349 Y350 M354	S177-K352 PolarHBondContact O-NZ 2.87Å; S177-K352 VanDerWaalsContact O-NZ 3.15Å; Y178-K352 HydrophobicContact CD2-CD 3.88Å; A286-K352 PolarHBondContact O-NZ 3.3Å; S288-K352 WeakPolarHBondContact O-CE 3.5Å; S288-K352 PolarHBondContact O-NZ 2.72Å; M289-K352 WeakPolarHBondContact O-CE 3.42Å; V291-K352 HydrophobicContact CG2-CB 3.96Å; V291-K352 HydrophobicContact CG2-CG 3.87Å; W349-K352 PolarHBondContact O-N 2.77Å; Y350-K352 PolarHBondContact O-N 3.26Å; K352-M354 PolarHBondContact O-N 3.42Å
353	T	98.2	Very high	96.6	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.032	C	C	.	.	S	Bend	trans	-54.5	-48.2	-175.5	-57.2	0	0	0	0	113.9	L174 S177 Y368 E369 V372	L174-T353 WeakPolarHBondContact O-CG2 3.36Å; S177-T353 VanDerWaalsContact C-OG1 3.25Å; S177-T353 WeakPolarHBondContact CB-OG1 3.32Å; S177-T353 PolarHBondContact O-OG1 3.06Å; T353-Y368 CarbonylContact O-C 3.37Å; T353-Y368 WeakPolarHBondContact O-CA 3.32Å; T353-Y368 WeakPolarHBondContact O-CB 3.29Å; T353-E369 PolarHBondContact O-N 3.07Å; T353-V372 HydrophobicContact CG2-CB 3.76Å; T353-V372 HydrophobicContact CG2-CG1 3.85Å; T353-V372 HydrophobicContact CG2-CG2 3.7Å; T353-V372 WeakPolarHBondContact OG1-CG2 3.25Å
354	M	98.3	Very high	96.7	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.018	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.5	-179.7	-64.1	-68.6	127.4	0	0	110.7	L174 F175 F290 V291 K352 F356 L366 Y368 V378 L381	L174-M354 HydrophobicContact CB-CE 4.35Å; L174-M354 HydrophobicContact CB-CG 4.36Å; L174-M354 HydrophobicContact CD2-CE 3.6Å; L174-M354 WeakPolarHBondContact O-CG 3.49Å; F175-M354 HydrophobicContact CD1-CB 4.43Å; F175-M354 HydrophobicContact CD1-CG 4.24Å; F175-M354 HydrophobicContact CE1-CB 4.19Å; F175-M354 HydrophobicContact CE1-CG 4Å; F290-M354 WeakPolarHBondContact CA-O 3.41Å; F290-M354 HydrophobicContact CB-CB 3.98Å; F290-M354 WeakPolarHBondContact CB-O 3.37Å; V291-M354 PolarHBondContact N-O 2.89Å; K352-M354 PolarHBondContact O-N 3.42Å; M354-F356 HydrophobicContact CB-CE2 4.11Å; M354-L366 HydrophobicContact CB-CD1 4.41Å; M354-L366 HydrophobicContact SD-CD1 4.03Å; M354-L366 HydrophobicContact SD-CD2 4.07Å; M354-Y368 HydrophobicContact CE-CD2 3.87Å; M354-Y368 HydrophobicContact CE-CG 4.11Å; M354-V378 HydrophobicContact CE-CG2 4.01Å; M354-L381 HydrophobicContact SD-CD2 4.21Å
355	Q	98.5	Very high	96.6	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.017	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	107.3	172.8	-51.2	180	75.6	0	0	109.8	V291 W349 L366 N367	V291-Q355 HydrophobicContact CB-CB 4.42Å; V291-Q355 HydrophobicContact CB-CG 4.16Å; V291-Q355 CarbonylContact O-C 3.6Å; V291-Q355 VanDerWaalsContact O-CA 3.31Å; V291-Q355 WeakPolarHBondContact O-CA 3.42Å; W349-Q355 PolarHBondContact O-NE2 3.35Å; W349-Q355 PolarHBondContact O-OE1 3.07Å; Q355-L366 CarbonylContact O-C 3.53Å; Q355-L366 WeakPolarHBondContact O-CA 3.36Å; Q355-L366 WeakPolarHBondContact O-CD1 3.4Å; Q355-N367 WeakPolarHBondContact CA-O 3.4Å; Q355-N367 HydrophobicContact CB-CB 4.35Å; Q355-N367 VanDerWaalsContact CB-O 3.32Å; Q355-N367 WeakPolarHBondContact CB-O 3.26Å; Q355-N367 PolarHBondContact N-O 2.97Å; Q355-N367 PolarHBondContact NE2-OD1 3.34Å; Q355-N367 PolarHBondContact O-N 2.67Å
356	F	98.7	Very high	96.7	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.017	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	130.7	175.8	-64.4	-87.4	0	0	0	109.5	F118 L136 I140 F175 F290 V291 L292 C293 M354 L366 L381 I382 I385	F118-F356 HydrophobicContact CE2-CD1 4.48Å; F118-F356 HydrophobicContact CZ-CD1 4.45Å; L136-F356 HydrophobicContact CD2-CB 3.89Å; L136-F356 HydrophobicContact CD2-CD1 4Å; L136-F356 HydrophobicContact CD2-CG 4.1Å; I140-F356 HydrophobicContact CD1-CD1 4.16Å; I140-F356 HydrophobicContact CD1-CD2 3.64Å; I140-F356 HydrophobicContact CD1-CE1 3.92Å; I140-F356 HydrophobicContact CD1-CE2 3.38Å; I140-F356 HydrophobicContact CD1-CG 4.02Å; I140-F356 HydrophobicContact CD1-CZ 3.52Å; I140-F356 HydrophobicContact CG1-CE1 4.35Å; I140-F356 HydrophobicContact CG1-CE2 4.11Å; I140-F356 HydrophobicContact CG1-CZ 3.87Å; F175-F356 HydrophobicContact CE1-CE2 4.14Å; F175-F356 HydrophobicContact CE1-CZ 4.38Å; F290-F356 HydrophobicContact CB-CD2 4.3Å; F290-F356 HydrophobicContact CB-CE2 4.14Å; F290-F356 AromaticContact CD2-CD2 3.59Å; F290-F356 HydrophobicContact CD2-CD2 3.59Å; F290-F356 AromaticContact CD2-CE2 3.98Å; F290-F356 HydrophobicContact CD2-CE2 3.98Å; F290-F356 HydrophobicContact CE2-CD2 4.09Å; F290-F356 HydrophobicContact CG-CD2 4.05Å; F290-F356 AromaticContact CG-CE2 3.98Å; F290-F356 HydrophobicContact CG-CE2 3.98Å; V291-F356 PolarHBondContact O-N 3.16Å; L292-F356 CarbonylContact C-O 3.59Å; L292-F356 WeakPolarHBondContact CA-O 2.98Å; L292-F356 HydrophobicContact CD1-CB 4.14Å; C293-F356 PolarHBondContact N-O 3.48Å; M354-F356 HydrophobicContact CB-CE2 4.11Å; F356-L366 HydrophobicContact CD1-CD1 3.86Å; F356-L366 HydrophobicContact CD2-CD1 4.4Å; F356-L366 HydrophobicContact CE1-CD1 3.82Å; F356-L366 HydrophobicContact CE2-CD1 4.35Å; F356-L366 HydrophobicContact CG-CD1 4.17Å; F356-L366 HydrophobicContact CZ-CD1 4.08Å; F356-L381 HydrophobicContact CZ-CD2 4.42Å; F356-I382 HydrophobicContact CE1-CD1 3.65Å; F356-I382 HydrophobicContact CZ-CD1 4.42Å; F356-I385 HydrophobicContact CE1-CD1 4.21Å; F356-I385 HydrophobicContact CZ-CD1 4.22Å
357	I	98.6	Very high	96.7	Very high	1 Å²	1	3.4 Å²	3.4	1%	0.005	2%	0.017	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	126.9	-175.1	-60.4	160.9	0	0	0	108.3	C293 D295 L335 C364 G365 N367	C293-I357 HydrophobicContact CB-CB 4.45Å; C293-I357 HydrophobicContact CB-CG1 3.93Å; C293-I357 WeakPolarHBondContact O-CA 3.48Å; D295-I357 HydrophobicContact CB-CG2 4.38Å; D295-I357 WeakPolarHBondContact OD2-CG2 3.44Å; L335-I357 HydrophobicContact CB-CD1 4.36Å; L335-I357 HydrophobicContact CD2-CB 3.73Å; L335-I357 HydrophobicContact CD2-CD1 3.69Å; L335-I357 HydrophobicContact CD2-CG1 4.31Å; L335-I357 HydrophobicContact CD2-CG2 3.83Å; I357-C364 CarbonylContact O-C 3.54Å; I357-C364 VanDerWaalsContact O-CA 3.31Å; I357-C364 WeakPolarHBondContact O-CA 3.44Å; I357-G365 PolarHBondContact N-O 3.31Å; I357-G365 PolarHBondContact O-N 2.86Å; I357-N367 HydrophobicContact CD1-CB 3.86Å
358	I	97.9	Very high	96.6	Very high	1 Å²	1	3.6 Å²	3.6	1%	0.005	2%	0.018	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	106.3	177.5	-55.4	174.3	0	0	0	108.2	F123 Q129 F132 A133 L136 L292 C293 L294 D295	F123-I358 HydrophobicContact CE2-CG2 3.86Å; F123-I358 HydrophobicContact CZ-CG2 4.15Å; Q129-I358 HydrophobicContact CG-CG2 3.71Å; Q129-I358 PolarHBondContact NE2-O 2.75Å; F132-I358 HydrophobicContact CD1-CD1 3.9Å; F132-I358 HydrophobicContact CD1-CG1 4.38Å; F132-I358 HydrophobicContact CD1-CG2 4.06Å; F132-I358 HydrophobicContact CE1-CD1 4.09Å; F132-I358 HydrophobicContact CE1-CG1 4.26Å; F132-I358 HydrophobicContact CE1-CG2 4.48Å; A133-I358 VanDerWaalsContact CA-CD1 3.46Å; A133-I358 HydrophobicContact CB-CD1 3.47Å; A133-I358 VanDerWaalsContact CB-CD1 3.47Å; L136-I358 HydrophobicContact CD2-CD1 3.82Å; L136-I358 HydrophobicContact CD2-CG1 4.32Å; L292-I358 HydrophobicContact CD1-CD1 3.72Å; L292-I358 HydrophobicContact CD1-CG1 4.09Å; C293-I358 PolarHBondContact O-N 3.26Å; L294-I358 HydrophobicContact CD2-CB 4.33Å; D295-I358 PolarHBondContact N-O 3.25Å
359	S	95.5	Very high	96.6	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.018	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	145.1	179.2	-174.6	0	0	0	0	111.6	F123 Q334 D361 G362 N363	F123-S359 WeakPolarHBondContact CE2-O 3.46Å; Q334-S359 VanDerWaalsContact NE2-CB 3.28Å; Q334-S359 PolarHBondContact NE2-OG 2.84Å; S359-D361 WeakPolarHBondContact CB-OD1 3.31Å; S359-D361 PolarHBondContact O-N 3.02Å; S359-D361 VanDerWaalsContact OG-CG 3.31Å; S359-D361 PolarHBondContact OG-OD1 3.06Å; S359-G362 PolarHBondContact O-N 2.89Å; S359-N363 WeakPolarHBondContact CB-O 3.48Å; S359-N363 PolarHBondContact N-O 2.68Å
360	R	90.3	Very high	96.5	Very high	21 Å²	21	5.3 Å²	5.3	8%	0.079	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-26.3	179	-177.1	68.3	-177.4	86.7	6	112.9	F123 S125 Q129 D295 P297 V301 E303 G362	F123-R360 PolarHBondContact O-NH1 3.35Å; S125-R360 PolarHBondContact O-NH1 2.9Å; Q129-R360 VanDerWaalsContact NE2-N 3.18Å; D295-R360 PolarHBondContact O-N 3.36Å; D295-R360 VanDerWaalsContact O-N 3.17Å; P297-R360 HydrophobicContact CB-CB 4.07Å; P297-R360 HydrophobicContact CG-CB 4.17Å; P297-R360 HydrophobicContact CG-CG 4.42Å; V301-R360 HydrophobicContact CG2-CG 4.42Å; E303-R360 IonicContact OE1-CZ 2.71Å; E303-R360 IonicContact OE1-NE 3.32Å; E303-R360 IonicContact OE1-NH2 3.02Å; E303-R360 PolarHBondContact OE1-NH2 2.86Å; R360-G362 PolarHBondContact O-N 3.47Å
361	D	88.6	Confident	96.4	Very high	37 Å²	37	5.3 Å²	5.3	20%	0.198	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	3.5	175.3	68.7	-2	0	0	0	114.1	P297 I298 V301 R326 S359 N363	P297-D361 HydrophobicContact CB-CB 3.89Å; I298-D361 PolarHBondContact N-OD2 2.96Å; V301-D361 HydrophobicContact CG2-CB 3.9Å; R326-D361 WeakPolarHBondContact CD-OD2 3.38Å; R326-D361 IonicContact CZ-OD2 3.3Å; R326-D361 IonicContact NE-OD2 2.82Å; R326-D361 IonicContact NH1-OD1 2.73Å; R326-D361 IonicContact NH1-OD2 3.55Å; R326-D361 PolarHBondContact NH1-OD2 3.38Å; S359-D361 WeakPolarHBondContact CB-OD1 3.31Å; S359-D361 PolarHBondContact O-N 3.02Å; S359-D361 VanDerWaalsContact OG-CG 3.31Å; S359-D361 PolarHBondContact OG-OD1 3.06Å; D361-N363 PolarHBondContact OD1-N 2.81Å
362	G	89.7	Confident	96.3	Very high	2 Å²	2	5.3 Å²	5.3	2%	0.021	3%	0.026	C	C	.	.	S	Bend	trans	91.5	-4.7	175.8	0	0	0	0	0	115.2	H121 S359 R360 C364	H121-G362 PolarHBondContact N-O 3.46Å; H121-G362 VanDerWaalsContact O-CA 3.29Å; H121-G362 WeakPolarHBondContact O-CA 3.42Å; S359-G362 PolarHBondContact O-N 2.89Å; R360-G362 PolarHBondContact O-N 3.47Å; G362-C364 PolarHBondContact O-N 3.39Å
363	N	94.3	Very high	96.2	Very high	5 Å²	5	5.2 Å²	5.2	3%	0.027	3%	0.025	C	C	.	.			trans	-68	121.3	169.8	-170.9	26.3	0	0	0	109.9	L331 Q334 S359 D361	L331-N363 HydrophobicContact CD2-CB 3.71Å; L331-N363 VanDerWaalsContact CD2-CG 3.43Å; L331-N363 PolarHBondContact O-ND2 3.2Å; Q334-N363 PolarHBondContact OE1-ND2 3.1Å; S359-N363 WeakPolarHBondContact CB-O 3.48Å; S359-N363 PolarHBondContact N-O 2.68Å; D361-N363 PolarHBondContact OD1-N 2.81Å
364	C	95.8	Very high	96	Very high	2 Å²	2	5.9 Å²	5.9	1%	0.014	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.5	179	-60	0	0	0	0	109.3	F118 F132 I357 G362	F118-C364 HydrophobicContact CB-CB 4.45Å; F118-C364 WeakPolarHBondContact CB-O 3.39Å; F118-C364 HydrophobicContact CD2-CB 4.3Å; F118-C364 PolarHBondContact N-O 2.82Å; F132-C364 HydrophobicContact CE1-CB 4.27Å; I357-C364 CarbonylContact O-C 3.54Å; I357-C364 VanDerWaalsContact O-CA 3.31Å; I357-C364 WeakPolarHBondContact O-CA 3.44Å; G362-C364 PolarHBondContact O-N 3.39Å
365	G	97.6	Very high	95.6	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.3	-162.8	179.3	0	0	0	0	0	114.4	M116 I357	M116-G365 CarbonylContact O-C 3.57Å; M116-G365 WeakPolarHBondContact O-CA 3.45Å; I357-G365 PolarHBondContact N-O 3.31Å; I357-G365 PolarHBondContact O-N 2.86Å
366	L	98.1	Very high	95.2	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	143.1	179	-177.9	81.6	0	0	0	109.5	G115 M116 F118 M354 Q355 F356 Y368 V378 I382	G115-L366 CarbonylContact C-O 3.59Å; G115-L366 VanDerWaalsContact CA-O 3.26Å; G115-L366 WeakPolarHBondContact CA-O 3.41Å; M116-L366 HydrophobicContact CB-CB 4.26Å; M116-L366 PolarHBondContact N-O 3.3Å; M116-L366 PolarHBondContact O-N 2.79Å; F118-L366 HydrophobicContact CE1-CB 3.99Å; F118-L366 HydrophobicContact CZ-CB 3.84Å; M354-L366 HydrophobicContact CB-CD1 4.41Å; M354-L366 HydrophobicContact SD-CD1 4.03Å; M354-L366 HydrophobicContact SD-CD2 4.07Å; Q355-L366 CarbonylContact O-C 3.53Å; Q355-L366 WeakPolarHBondContact O-CA 3.36Å; Q355-L366 WeakPolarHBondContact O-CD1 3.4Å; F356-L366 HydrophobicContact CD1-CD1 3.86Å; F356-L366 HydrophobicContact CD2-CD1 4.4Å; F356-L366 HydrophobicContact CE1-CD1 3.82Å; F356-L366 HydrophobicContact CE2-CD1 4.35Å; F356-L366 HydrophobicContact CG-CD1 4.17Å; F356-L366 HydrophobicContact CZ-CD1 4.08Å; L366-Y368 HydrophobicContact CD2-CD1 4.15Å; L366-Y368 HydrophobicContact CD2-CG 4.28Å; L366-V378 HydrophobicContact CD2-CG1 3.15Å; L366-I382 HydrophobicContact CD2-CD1 4.35Å
367	N	98.4	Very high	94.8	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.1	155.7	-175.3	-79.4	0	0	0	107.5	S113 P114 L335 Q355 I357	S113-N367 WeakPolarHBondContact CB-OD1 3.28Å; S113-N367 PolarHBondContact O-ND2 2.89Å; P114-N367 WeakPolarHBondContact O-CA 3.37Å; L335-N367 WeakPolarHBondContact O-CB 3.44Å; L335-N367 PolarHBondContact O-ND2 3.18Å; Q355-N367 WeakPolarHBondContact CA-O 3.4Å; Q355-N367 HydrophobicContact CB-CB 4.35Å; Q355-N367 VanDerWaalsContact CB-O 3.32Å; Q355-N367 WeakPolarHBondContact CB-O 3.26Å; Q355-N367 PolarHBondContact N-O 2.97Å; Q355-N367 PolarHBondContact NE2-OD1 3.34Å; Q355-N367 PolarHBondContact O-N 2.67Å; I357-N367 HydrophobicContact CD1-CB 3.86Å
368	Y	97.8	Very high	94.6	Very high	4 Å²	4	9.6 Å²	9.6	2%	0.016	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	147.2	-175	86.9	-83.4	0	0	0	113.3	S113 P114 T353 M354 L366 H370 V378 M596	S113-Y368 WeakPolarHBondContact CA-O 3.26Å; P114-Y368 HydrophobicContact CB-CD1 4.25Å; P114-Y368 HydrophobicContact CB-CE1 3.7Å; P114-Y368 WeakPolarHBondContact CD-O 3.35Å; P114-Y368 HydrophobicContact CG-CE1 3.85Å; P114-Y368 PolarHBondContact O-N 3.28Å; T353-Y368 CarbonylContact O-C 3.37Å; T353-Y368 WeakPolarHBondContact O-CA 3.32Å; T353-Y368 WeakPolarHBondContact O-CB 3.29Å; M354-Y368 HydrophobicContact CE-CD2 3.87Å; M354-Y368 HydrophobicContact CE-CG 4.11Å; L366-Y368 HydrophobicContact CD2-CD1 4.15Å; L366-Y368 HydrophobicContact CD2-CG 4.28Å; Y368-H370 HydrophobicContact CE2-CB 4.19Å; Y368-H370 AromaticContact CE2-ND1 3.93Å; Y368-H370 AromaticContact CZ-ND1 3.98Å; Y368-H370 PolarHBondContact O-N 3.13Å; Y368-H370 PolarHBondContact OH-ND1 3.31Å; Y368-V378 HydrophobicContact CD1-CG1 4.34Å; Y368-V378 HydrophobicContact CD1-CG2 4.39Å; Y368-V378 HydrophobicContact CD2-CG2 3.77Å; Y368-V378 HydrophobicContact CE1-CG1 4.49Å; Y368-V378 HydrophobicContact CE1-CG2 4.26Å; Y368-V378 HydrophobicContact CE2-CG2 3.62Å; Y368-V378 HydrophobicContact CG-CG2 4.15Å; Y368-M596 HydrophobicContact CE1-CE 3.9Å; Y368-M596 HydrophobicContact CE1-SD 3.86Å
369	E	97.2	Very high	94.3	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.05	C	C	.	.			trans	-79.8	116.9	176.9	-157.3	-67.7	134.3	0	0	109.9	L108 R179 T353 S371	L108-E369 HydrophobicContact CD1-CG 4.42Å; R179-E369 HydrophobicContact CB-CG 4.06Å; R179-E369 VanDerWaalsContact CD-CD 3.46Å; R179-E369 WeakPolarHBondContact CD-OE1 3.39Å; R179-E369 IonicContact CZ-OE1 3.42Å; R179-E369 IonicContact NE-OE1 3.49Å; R179-E369 IonicContact NH1-OE1 2.68Å; R179-E369 PolarHBondContact NH1-OE1 2.96Å; T353-E369 PolarHBondContact O-N 3.07Å; E369-S371 VanDerWaalsContact CD-OG 3.22Å; E369-S371 VanDerWaalsContact OE1-CB 3.3Å; E369-S371 WeakPolarHBondContact OE1-CB 3.3Å; E369-S371 PolarHBondContact OE1-N 3.27Å; E369-S371 PolarHBondContact OE1-OG 2.83Å; E369-S371 VanDerWaalsContact OE2-CB 3.28Å; E369-S371 WeakPolarHBondContact OE2-CB 3.39Å; E369-S371 PolarHBondContact OE2-N 3.14Å; E369-S371 VanDerWaalsContact OE2-N 3.08Å; E369-S371 PolarHBondContact OE2-OG 2.69Å
370	H	96.5	Very high	94	Very high	37 Å²	37	12 Å²	12	17%	0.171	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-20.2	-164.7	-167.4	7.1	0	0	0	114.1	Y101 S112 P114 Y368 V372 A373 E374 R495	Y101-H370 HydrophobicContact CE1-CB 3.84Å; Y101-H370 AromaticContact CE1-CD2 3.99Å; Y101-H370 AromaticContact CE1-CG 3.86Å; Y101-H370 PolarHBondContact OH-NE2 2.87Å; S112-H370 WeakPolarHBondContact O-CB 3.33Å; S112-H370 PolarHBondContact O-N 3.46Å; P114-H370 HydrophobicContact CG-CB 4.17Å; Y368-H370 HydrophobicContact CE2-CB 4.19Å; Y368-H370 AromaticContact CE2-ND1 3.93Å; Y368-H370 AromaticContact CZ-ND1 3.98Å; Y368-H370 PolarHBondContact O-N 3.13Å; Y368-H370 PolarHBondContact OH-ND1 3.31Å; H370-V372 PolarHBondContact O-N 2.84Å; H370-A373 PolarHBondContact ND1-O 3.08Å; H370-A373 PolarHBondContact O-N 2.83Å; H370-E374 IonicContact CE1-OE2 3.8Å; H370-E374 PolarHBondContact CE1-OE2 2.95Å; H370-R495 PolarHBondContact O-NH2 2.86Å
371	S	96.9	Very high	94	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.9	178.8	84.4	0	0	0	0	112.4	L97 E369 R495	L97-S371 VanDerWaalsContact CD1-O 3.26Å; L97-S371 WeakPolarHBondContact CD1-O 3.49Å; E369-S371 VanDerWaalsContact CD-OG 3.22Å; E369-S371 VanDerWaalsContact OE1-CB 3.3Å; E369-S371 WeakPolarHBondContact OE1-CB 3.3Å; E369-S371 PolarHBondContact OE1-N 3.27Å; E369-S371 PolarHBondContact OE1-OG 2.83Å; E369-S371 VanDerWaalsContact OE2-CB 3.28Å; E369-S371 WeakPolarHBondContact OE2-CB 3.39Å; E369-S371 PolarHBondContact OE2-N 3.14Å; E369-S371 VanDerWaalsContact OE2-N 3.08Å; E369-S371 PolarHBondContact OE2-OG 2.69Å; S371-R495 PolarHBondContact O-NH1 3.25Å
372	V	96.7	Very high	94.2	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.047	C	C	.	.	S	Bend	trans	-77.5	-41.2	178.8	-179.9	0	0	0	0	114.6	R173 L188 T353 H370 R495	R173-V372 HydrophobicContact CB-CG1 3.49Å; R173-V372 VanDerWaalsContact CB-CG1 3.49Å; L188-V372 HydrophobicContact CD1-CG2 3.52Å; L188-V372 HydrophobicContact CD2-CG2 4.17Å; L188-V372 HydrophobicContact CG-CG2 4.45Å; T353-V372 HydrophobicContact CG2-CB 3.76Å; T353-V372 HydrophobicContact CG2-CG1 3.85Å; T353-V372 HydrophobicContact CG2-CG2 3.7Å; T353-V372 WeakPolarHBondContact OG1-CG2 3.25Å; H370-V372 PolarHBondContact O-N 2.84Å; V372-R495 PolarHBondContact O-NH1 2.78Å
373	A	95.7	Very high	94.2	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.058	C	C	.	.			trans	-155	154.4	-171.3	0	0	0	0	0	112.7	Q170 L174 H370 A377	Q170-A373 HydrophobicContact CB-CB 3.99Å; L174-A373 HydrophobicContact CD2-CB 3.72Å; H370-A373 PolarHBondContact ND1-O 3.08Å; H370-A373 PolarHBondContact O-N 2.83Å; A373-A377 HydrophobicContact CB-CB 4.1Å
374	E	94	Very high	93.7	Very high	13 Å²	13	14.9 Å²	14.9	6%	0.061	7%	0.072	C	C	.	.			trans	-76.5	156.9	168.6	-54.1	-48.8	141.7	0	0	111.5	H370 I376 A377 R495 V496	H370-E374 IonicContact CE1-OE2 3.8Å; H370-E374 PolarHBondContact CE1-OE2 2.95Å; E374-I376 HydrophobicContact CB-CG2 4.29Å; E374-I376 PolarHBondContact O-N 3.16Å; E374-A377 PolarHBondContact O-N 3.25Å; E374-R495 IonicContact OE1-CZ 2.96Å; E374-R495 IonicContact OE1-NE 2.58Å; E374-R495 PolarHBondContact OE1-NE 2.91Å; E374-R495 IonicContact OE1-NH2 2.85Å; E374-R495 PolarHBondContact OE1-NH2 3.34Å; E374-V496 VanDerWaalsContact CD-CG1 3.48Å; E374-V496 HydrophobicContact CG-CG1 3.66Å
375	G	91	Very high	93.2	Very high	11 Å²	11	14.9 Å²	14.9	11%	0.113	7%	0.071	C	C	.	.	H	α-helix	trans	-54.8	-29.7	-176.6	0	0	0	0	0	114.7	A377 V378 V379	G375-A377 VanDerWaalsContact C-N 3.29Å; G375-A377 PolarHBondContact O-N 2.84Å; G375-V378 WeakPolarHBondContact O-CB 3.46Å; G375-V378 PolarHBondContact O-N 3.36Å; G375-V379 WeakPolarHBondContact O-CG2 3.45Å; G375-V379 PolarHBondContact O-N 3.46Å
376	I	89.7	Confident	92.7	Very high	68 Å²	68	15.4 Å²	15.4	35%	0.349	7%	0.074	S	C	.	.	H	α-helix	trans	-60.2	-37.7	177.2	-171.8	58.9	0	0	0	112.9	E374 V378 R380	E374-I376 HydrophobicContact CB-CG2 4.29Å; E374-I376 PolarHBondContact O-N 3.16Å; I376-V378 VanDerWaalsContact C-N 3.29Å; I376-V378 PolarHBondContact O-N 3.09Å; I376-R380 PolarHBondContact O-N 3.26Å
377	A	91.2	Very high	92	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-68.5	-37.6	-179.1	0	0	0	0	0	111.1	Q170 Y171 A373 E374 G375 L381	Q170-A377 HydrophobicContact CB-CB 4.38Å; Y171-A377 HydrophobicContact CD1-CB 3.82Å; Y171-A377 HydrophobicContact CE1-CB 3.75Å; Y171-A377 HydrophobicContact CG-CB 4.36Å; A373-A377 HydrophobicContact CB-CB 4.1Å; E374-A377 PolarHBondContact O-N 3.25Å; G375-A377 VanDerWaalsContact C-N 3.29Å; G375-A377 PolarHBondContact O-N 2.84Å; A377-L381 PolarHBondContact O-N 3.4Å
378	V	93.9	Very high	91	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-69.8	-49.8	177.5	179.2	0	0	0	0	111.2	L174 M354 L366 Y368 G375 I376 R380 L381 I382	L174-V378 HydrophobicContact CD2-CG2 4.27Å; M354-V378 HydrophobicContact CE-CG2 4.01Å; L366-V378 HydrophobicContact CD2-CG1 3.15Å; Y368-V378 HydrophobicContact CD1-CG1 4.34Å; Y368-V378 HydrophobicContact CD1-CG2 4.39Å; Y368-V378 HydrophobicContact CD2-CG2 3.77Å; Y368-V378 HydrophobicContact CE1-CG1 4.49Å; Y368-V378 HydrophobicContact CE1-CG2 4.26Å; Y368-V378 HydrophobicContact CE2-CG2 3.62Å; Y368-V378 HydrophobicContact CG-CG2 4.15Å; G375-V378 WeakPolarHBondContact O-CB 3.46Å; G375-V378 PolarHBondContact O-N 3.36Å; I376-V378 VanDerWaalsContact C-N 3.29Å; I376-V378 PolarHBondContact O-N 3.09Å; V378-R380 VanDerWaalsContact C-N 3.28Å; V378-R380 PolarHBondContact O-N 2.91Å; V378-L381 WeakPolarHBondContact O-CB 3.47Å; V378-L381 PolarHBondContact O-N 2.88Å; V378-L381 VanDerWaalsContact O-N 3.1Å; V378-I382 HydrophobicContact CG1-CG1 4.35Å; V378-I382 WeakPolarHBondContact O-CG1 3.48Å; V378-I382 PolarHBondContact O-N 3.38Å
379	V	92.1	Very high	90.1	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-57	-43.4	-179.5	169.5	0	0	0	0	111.3	M116 G375 L381 I382 E383 V588 P589	M116-V379 HydrophobicContact CE-CG2 4.03Å; M116-V379 HydrophobicContact SD-CG2 4.17Å; G375-V379 WeakPolarHBondContact O-CG2 3.45Å; G375-V379 PolarHBondContact O-N 3.46Å; V379-L381 VanDerWaalsContact C-N 3.35Å; V379-L381 PolarHBondContact O-N 3.37Å; V379-I382 PolarHBondContact O-N 2.97Å; V379-E383 HydrophobicContact CG1-CG 4.27Å; V379-E383 PolarHBondContact O-N 3.48Å; V379-V588 HydrophobicContact CG2-CG1 3.56Å; V379-P589 WeakPolarHBondContact CG1-O 3.2Å
380	R	89	Confident	89.2	Confident	52 Å²	52	28.2 Å²	28.2	20%	0.196	13%	0.13	C	C	.	.	H	α-helix	trans	-64.5	-38.5	179.1	-176	175.9	172.8	-174.8	-7.4	112.6	P153 D155 Y171 I376 V378 H384	P153-R380 VanDerWaalsContact CD-NH2 3.33Å; P153-R380 VanDerWaalsContact O-CZ 3.32Å; P153-R380 PolarHBondContact O-NH1 2.84Å; P153-R380 PolarHBondContact O-NH2 3.23Å; D155-R380 IonicContact OD1-CZ 3.69Å; D155-R380 IonicContact OD1-NH1 2.71Å; D155-R380 PolarHBondContact OD1-NH1 2.82Å; Y171-R380 HydrophobicContact CE1-CB 4.07Å; Y171-R380 HydrophobicContact CE1-CG 4.35Å; Y171-R380 WeakPolarHBondContact OH-CD 3.38Å; I376-R380 PolarHBondContact O-N 3.26Å; V378-R380 VanDerWaalsContact C-N 3.28Å; V378-R380 PolarHBondContact O-N 2.91Å; R380-H384 WeakPolarHBondContact O-CB 3.44Å; R380-H384 PolarHBondContact O-N 3.49Å; R380-H384 VanDerWaalsContact O-N 3.08Å
381	L	90.9	Very high	88.2	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-58.8	-49.8	171.4	164.1	70.5	0	0	0	110.3	Y143 L174 F175 M354 F356 A377 V378 V379 H384 I385	Y143-L381 HydrophobicContact CD1-CD1 3.08Å; Y143-L381 HydrophobicContact CD1-CG 4.42Å; Y143-L381 HydrophobicContact CE1-CB 4.04Å; Y143-L381 HydrophobicContact CE1-CD1 3.28Å; Y143-L381 HydrophobicContact CE1-CG 4.27Å; Y143-L381 HydrophobicContact CG-CD1 3.73Å; L174-L381 HydrophobicContact CD1-CB 4.19Å; L174-L381 HydrophobicContact CD1-CD2 3.95Å; F175-L381 HydrophobicContact CE1-CD2 4.39Å; F175-L381 HydrophobicContact CE2-CD1 3.94Å; F175-L381 HydrophobicContact CE2-CD2 4.26Å; F175-L381 HydrophobicContact CZ-CD1 3.76Å; F175-L381 HydrophobicContact CZ-CD2 3.64Å; F175-L381 HydrophobicContact CZ-CG 4.37Å; M354-L381 HydrophobicContact SD-CD2 4.21Å; F356-L381 HydrophobicContact CZ-CD2 4.42Å; A377-L381 PolarHBondContact O-N 3.4Å; V378-L381 WeakPolarHBondContact O-CB 3.47Å; V378-L381 PolarHBondContact O-N 2.88Å; V378-L381 VanDerWaalsContact O-N 3.1Å; V379-L381 VanDerWaalsContact C-N 3.35Å; V379-L381 PolarHBondContact O-N 3.37Å; L381-H384 PolarHBondContact O-N 2.91Å; L381-I385 HydrophobicContact CD1-CD1 3.48Å; L381-I385 VanDerWaalsContact CD1-CD1 3.48Å; L381-I385 HydrophobicContact CD1-CG1 4.09Å; L381-I385 HydrophobicContact CG-CD1 3.73Å; L381-I385 VanDerWaalsContact O-CG1 3.32Å; L381-I385 WeakPolarHBondContact O-CG1 3.43Å; L381-I385 PolarHBondContact O-N 2.97Å
382	I	91.7	Very high	86.7	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-65.3	-45.8	-177.9	-60.4	-44.4	0	0	0	111.8	M116 F118 F356 L366 V378 V379 H384 I385 L386 M592	M116-I382 HydrophobicContact CE-CB 4.31Å; M116-I382 HydrophobicContact CE-CG2 4.12Å; M116-I382 HydrophobicContact SD-CB 4.28Å; M116-I382 HydrophobicContact SD-CG1 3.93Å; M116-I382 HydrophobicContact SD-CG2 4.37Å; F118-I382 HydrophobicContact CD1-CG2 3.72Å; F118-I382 HydrophobicContact CE1-CB 4.22Å; F118-I382 HydrophobicContact CE1-CD1 3.99Å; F118-I382 HydrophobicContact CE1-CG1 3.78Å; F118-I382 HydrophobicContact CE1-CG2 3.35Å; F118-I382 HydrophobicContact CE2-CD1 4.41Å; F118-I382 HydrophobicContact CE2-CG2 4.21Å; F118-I382 HydrophobicContact CG-CG2 4.34Å; F118-I382 HydrophobicContact CZ-CB 4.39Å; F118-I382 HydrophobicContact CZ-CD1 3.48Å; F118-I382 VanDerWaalsContact CZ-CD1 3.48Å; F118-I382 HydrophobicContact CZ-CG1 3.83Å; F118-I382 HydrophobicContact CZ-CG2 3.62Å; F356-I382 HydrophobicContact CE1-CD1 3.65Å; F356-I382 HydrophobicContact CZ-CD1 4.42Å; L366-I382 HydrophobicContact CD2-CD1 4.35Å; V378-I382 HydrophobicContact CG1-CG1 4.35Å; V378-I382 WeakPolarHBondContact O-CG1 3.48Å; V378-I382 PolarHBondContact O-N 3.38Å; V379-I382 PolarHBondContact O-N 2.97Å; I382-H384 VanDerWaalsContact C-N 3.28Å; I382-H384 PolarHBondContact O-N 3.27Å; I382-I385 HydrophobicContact CD1-CD1 4.47Å; I382-I385 PolarHBondContact O-N 3.37Å; I382-L386 HydrophobicContact CG2-CD1 3.7Å; I382-L386 HydrophobicContact CG2-CG 4.16Å; I382-L386 WeakPolarHBondContact O-CB 3.36Å; I382-L386 WeakPolarHBondContact O-CG 3.13Å; I382-L386 PolarHBondContact O-N 3.32Å; I382-M592 HydrophobicContact CG2-CE 3.99Å
383	E	89.2	Confident	85.1	Confident	57 Å²	57	37 Å²	37	27%	0.266	17%	0.171	S	C	.	.	H	α-helix	trans	-57.6	-42.7	175.9	-79.1	-170.7	152.3	0	0	111.1	V379 Q387 T590 T591 M592	V379-E383 HydrophobicContact CG1-CG 4.27Å; V379-E383 PolarHBondContact O-N 3.48Å; E383-Q387 WeakPolarHBondContact O-CB 3.15Å; E383-Q387 PolarHBondContact O-N 2.78Å; E383-T590 PolarHBondContact OE1-OG1 3.28Å; E383-T591 PolarHBondContact OE1-N 3.46Å; E383-T591 PolarHBondContact OE1-OG1 3.3Å; E383-M592 HydrophobicContact CB-CE 4.26Å; E383-M592 HydrophobicContact CG-CE 3.4Å; E383-M592 VanDerWaalsContact CG-CE 3.4Å; E383-M592 HydrophobicContact CG-CG 4.28Å; E383-M592 HydrophobicContact CG-SD 3.92Å
384	H	84.9	Confident	83.3	Confident	67 Å²	67	46.8 Å²	46.8	31%	0.31	21%	0.208	S	C	.	.	H	α-helix	trans	-63.4	-48.9	176.5	-177.7	94	0	0	0	112.3	Y143 R380 L381 I382 L386 Q387 Y388	Y143-H384 HydrophobicContact CD2-CB 3.91Å; Y143-H384 AromaticContact CD2-CD2 3.23Å; Y143-H384 WeakPolarHBondContact CD2-CD2 3.43Å; Y143-H384 AromaticContact CD2-CG 3.44Å; Y143-H384 VanDerWaalsContact CD2-CG 3.44Å; Y143-H384 AromaticContact CD2-NE2 3.69Å; Y143-H384 HydrophobicContact CE2-CB 3.83Å; Y143-H384 AromaticContact CE2-CG 3.73Å; R380-H384 WeakPolarHBondContact O-CB 3.44Å; R380-H384 PolarHBondContact O-N 3.49Å; R380-H384 VanDerWaalsContact O-N 3.08Å; L381-H384 PolarHBondContact O-N 2.91Å; I382-H384 VanDerWaalsContact C-N 3.28Å; I382-H384 PolarHBondContact O-N 3.27Å; H384-L386 PolarHBondContact O-N 3.08Å; H384-Q387 PolarHBondContact O-N 2.87Å; H384-Y388 WeakPolarHBondContact O-CB 3.41Å; H384-Y388 PolarHBondContact O-N 3.14Å
385	I	85.4	Confident	81.3	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-46.1	-178.9	-66.5	160.2	0	0	0	110.6	L136 I140 F356 L381 I382 Q387 Y388 M389	L136-I385 HydrophobicContact CD1-CG2 3.54Å; L136-I385 HydrophobicContact CG-CG2 4.48Å; I140-I385 HydrophobicContact CB-CD1 4.43Å; I140-I385 HydrophobicContact CD1-CD1 4.5Å; I140-I385 HydrophobicContact CG1-CD1 3.44Å; I140-I385 VanDerWaalsContact CG1-CD1 3.44Å; I140-I385 HydrophobicContact CG1-CG1 4.12Å; I140-I385 HydrophobicContact CG1-CG2 4.45Å; F356-I385 HydrophobicContact CE1-CD1 4.21Å; F356-I385 HydrophobicContact CZ-CD1 4.22Å; L381-I385 HydrophobicContact CD1-CD1 3.48Å; L381-I385 VanDerWaalsContact CD1-CD1 3.48Å; L381-I385 HydrophobicContact CD1-CG1 4.09Å; L381-I385 HydrophobicContact CG-CD1 3.73Å; L381-I385 VanDerWaalsContact O-CG1 3.32Å; L381-I385 WeakPolarHBondContact O-CG1 3.43Å; L381-I385 PolarHBondContact O-N 2.97Å; I382-I385 HydrophobicContact CD1-CD1 4.47Å; I382-I385 PolarHBondContact O-N 3.37Å; I385-Q387 VanDerWaalsContact C-N 3.33Å; I385-Q387 PolarHBondContact O-N 3.41Å; I385-Y388 WeakPolarHBondContact O-CB 3.31Å; I385-Y388 PolarHBondContact O-N 2.82Å; I385-M389 HydrophobicContact CG2-CG 4.4Å; I385-M389 HydrophobicContact CG2-SD 4Å; I385-M389 VanDerWaalsContact O-CG 3.28Å; I385-M389 WeakPolarHBondContact O-CG 3.41Å; I385-M389 PolarHBondContact O-N 3.11Å
386	L	86.4	Confident	79.2	Confident	11 Å²	11	63.8 Å²	63.8	6%	0.058	27%	0.273	C	S	.	.	H	α-helix	trans	-67	-36.2	-179.1	-68.4	178.6	0	0	0	111.9	F118 I382 H384 M389 K390 M592	F118-L386 HydrophobicContact CB-CD1 4.43Å; F118-L386 HydrophobicContact CD2-CD1 4.48Å; F118-L386 HydrophobicContact CD2-CD2 4.44Å; F118-L386 HydrophobicContact CG-CD1 4.33Å; I382-L386 HydrophobicContact CG2-CD1 3.7Å; I382-L386 HydrophobicContact CG2-CG 4.16Å; I382-L386 WeakPolarHBondContact O-CB 3.36Å; I382-L386 WeakPolarHBondContact O-CG 3.13Å; I382-L386 PolarHBondContact O-N 3.32Å; H384-L386 PolarHBondContact O-N 3.08Å; L386-M389 HydrophobicContact CD2-SD 4.21Å; L386-M389 PolarHBondContact O-N 2.97Å; L386-K390 WeakPolarHBondContact O-CG 3.34Å; L386-K390 PolarHBondContact O-N 2.86Å; L386-K390 VanDerWaalsContact O-N 3.09Å; L386-M592 HydrophobicContact CB-SD 4.19Å; L386-M592 HydrophobicContact CD1-CE 3.87Å; L386-M592 HydrophobicContact CD1-SD 3.54Å; L386-M592 VanDerWaalsContact CD1-SD 3.54Å; L386-M592 HydrophobicContact CG-SD 4.48Å
387	Q	83.4	Confident	77.1	Confident	88 Å²	88	65.7 Å²	65.7	41%	0.411	28%	0.284	S	S	.	.	H	α-helix	trans	-65.4	-45.2	172.2	-178.7	58.8	27.7	0	0	111.5	E383 H384 I385 M389 K390 E391	E383-Q387 WeakPolarHBondContact O-CB 3.15Å; E383-Q387 PolarHBondContact O-N 2.78Å; H384-Q387 PolarHBondContact O-N 2.87Å; I385-Q387 VanDerWaalsContact C-N 3.33Å; I385-Q387 PolarHBondContact O-N 3.41Å; Q387-M389 VanDerWaalsContact C-N 3.32Å; Q387-M389 PolarHBondContact O-N 2.91Å; Q387-K390 WeakPolarHBondContact O-CB 3.42Å; Q387-K390 PolarHBondContact O-N 3.01Å; Q387-K390 VanDerWaalsContact O-N 3.16Å; Q387-E391 PolarHBondContact NE2-OE1 3.46Å; Q387-E391 WeakPolarHBondContact O-CG 3.23Å; Q387-E391 PolarHBondContact O-N 3.1Å
388	Y	77.5	Confident	74.8	Confident	57 Å²	57	71 Å²	71	22%	0.224	32%	0.316	C	S	.	.	H	α-helix	trans	-55.7	-47.3	174.5	172.3	-86	0	0	0	111.3	G139 D142 H384 I385 K390 E391 V392	G139-Y388 VanDerWaalsContact CA-CE1 3.4Å; D142-Y388 HydrophobicContact CB-CE2 4.12Å; D142-Y388 WeakPolarHBondContact OD2-CE2 3.29Å; D142-Y388 PolarHBondContact OD2-OH 2.84Å; H384-Y388 WeakPolarHBondContact O-CB 3.41Å; H384-Y388 PolarHBondContact O-N 3.14Å; I385-Y388 WeakPolarHBondContact O-CB 3.31Å; I385-Y388 PolarHBondContact O-N 2.82Å; Y388-K390 VanDerWaalsContact C-N 3.31Å; Y388-K390 PolarHBondContact O-N 3Å; Y388-E391 PolarHBondContact O-N 3.23Å; Y388-E391 VanDerWaalsContact O-N 3.08Å; Y388-V392 HydrophobicContact CD1-CG2 3.92Å; Y388-V392 HydrophobicContact CD2-CG2 4.26Å; Y388-V392 HydrophobicContact CE1-CB 4.38Å; Y388-V392 HydrophobicContact CE1-CG2 3.39Å; Y388-V392 HydrophobicContact CE2-CG2 3.81Å; Y388-V392 HydrophobicContact CG-CG2 4.32Å; Y388-V392 WeakPolarHBondContact O-CG2 3.39Å; Y388-V392 PolarHBondContact O-N 3.21Å
389	M	79.1	Confident	72.4	Confident	6 Å²	6	80.7 Å²	80.7	3%	0.03	35%	0.352	C	S	.	.	H	α-helix	trans	-61.5	-38.8	178.3	-68.7	172.1	76.3	0	0	112.2	F132 Q135 L136 I385 L386 Q387 E391 K393	F132-M389 HydrophobicContact CD1-CE 4.48Å; F132-M389 HydrophobicContact CD2-CE 3.49Å; F132-M389 VanDerWaalsContact CD2-CE 3.49Å; F132-M389 HydrophobicContact CE1-CE 4.28Å; F132-M389 HydrophobicContact CE2-CE 3.25Å; F132-M389 HydrophobicContact CE2-SD 4.45Å; F132-M389 HydrophobicContact CG-CE 4.11Å; F132-M389 HydrophobicContact CZ-CE 3.68Å; Q135-M389 HydrophobicContact CB-CE 3.87Å; Q135-M389 HydrophobicContact CB-CG 4.45Å; L136-M389 HydrophobicContact CB-CE 4.04Å; L136-M389 HydrophobicContact CB-SD 4.07Å; L136-M389 HydrophobicContact CD1-CE 4.41Å; L136-M389 HydrophobicContact CD1-SD 3.62Å; L136-M389 HydrophobicContact CG-SD 4.47Å; I385-M389 HydrophobicContact CG2-CG 4.4Å; I385-M389 HydrophobicContact CG2-SD 4Å; I385-M389 VanDerWaalsContact O-CG 3.28Å; I385-M389 WeakPolarHBondContact O-CG 3.41Å; I385-M389 PolarHBondContact O-N 3.11Å; L386-M389 HydrophobicContact CD2-SD 4.21Å; L386-M389 PolarHBondContact O-N 2.97Å; Q387-M389 VanDerWaalsContact C-N 3.32Å; Q387-M389 PolarHBondContact O-N 2.91Å; M389-E391 VanDerWaalsContact C-N 3.33Å; M389-K393 VanDerWaalsContact O-CG 3.29Å; M389-K393 WeakPolarHBondContact O-CG 3.32Å; M389-K393 PolarHBondContact O-N 3.1Å; M389-K393 VanDerWaalsContact O-N 3.14Å
390	K	79.1	Confident	70.1	Confident	123 Å²	123	88.4 Å²	88.4	54%	0.535	39%	0.386	S	S	.	.	H	α-helix	trans	-64.2	-38	173.8	-73.5	176	-178.1	-179.5	0	112	L386 Q387 Y388	L386-K390 WeakPolarHBondContact O-CG 3.34Å; L386-K390 PolarHBondContact O-N 2.86Å; L386-K390 VanDerWaalsContact O-N 3.09Å; Q387-K390 WeakPolarHBondContact O-CB 3.42Å; Q387-K390 PolarHBondContact O-N 3.01Å; Q387-K390 VanDerWaalsContact O-N 3.16Å; Y388-K390 VanDerWaalsContact C-N 3.31Å; Y388-K390 PolarHBondContact O-N 3Å
391	E	73.6	Confident	68.1	Low	84 Å²	84	90.7 Å²	90.7	39%	0.393	41%	0.408	S	S	.	.	H	α-helix	trans	-70.5	-50.1	177.8	-73.2	176.1	-165.6	0	0	111.4	Q387 Y388 M389 K393 R394	Q387-E391 PolarHBondContact NE2-OE1 3.46Å; Q387-E391 WeakPolarHBondContact O-CG 3.23Å; Q387-E391 PolarHBondContact O-N 3.1Å; Y388-E391 PolarHBondContact O-N 3.23Å; Y388-E391 VanDerWaalsContact O-N 3.08Å; M389-E391 VanDerWaalsContact C-N 3.33Å; E391-K393 VanDerWaalsContact C-N 3.26Å; E391-K393 PolarHBondContact O-N 3Å; E391-R394 WeakPolarHBondContact O-CA 3.38Å; E391-R394 VanDerWaalsContact O-CB 3.25Å; E391-R394 WeakPolarHBondContact O-CB 3.34Å; E391-R394 PolarHBondContact O-N 3.21Å
392	V	65.8	Low	66.2	Low	16 Å²	16	93.3 Å²	93.3	10%	0.097	43%	0.426	C	S	.	.	H	α-helix	trans	-58.6	-36.7	179.1	173.3	0	0	0	0	112.1	Y388 R394 W395 L397	Y388-V392 HydrophobicContact CD1-CG2 3.92Å; Y388-V392 HydrophobicContact CD2-CG2 4.26Å; Y388-V392 HydrophobicContact CE1-CB 4.38Å; Y388-V392 HydrophobicContact CE1-CG2 3.39Å; Y388-V392 HydrophobicContact CE2-CG2 3.81Å; Y388-V392 HydrophobicContact CG-CG2 4.32Å; Y388-V392 WeakPolarHBondContact O-CG2 3.39Å; Y388-V392 PolarHBondContact O-N 3.21Å; V392-R394 PolarHBondContact O-N 3.34Å; V392-R394 VanDerWaalsContact O-N 3.09Å; V392-W395 WeakPolarHBondContact O-CA 3.21Å; V392-W395 WeakPolarHBondContact O-CB 3.42Å; V392-W395 PolarHBondContact O-N 3.49Å; V392-L397 HydrophobicContact CG1-CD1 3.74Å
393	K	63.7	Low	64.3	Low	122 Å²	122	99.7 Å²	99.7	53%	0.53	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-25.9	172.6	-78.7	178.3	-178.5	-173.5	0	113.7	M389 E391	M389-K393 VanDerWaalsContact O-CG 3.29Å; M389-K393 WeakPolarHBondContact O-CG 3.32Å; M389-K393 PolarHBondContact O-N 3.1Å; M389-K393 VanDerWaalsContact O-N 3.14Å; E391-K393 VanDerWaalsContact C-N 3.26Å; E391-K393 PolarHBondContact O-N 3Å
394	R	57	Low	62.7	Low	204 Å²	204	101.6 Å²	101.6	77%	0.77	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-20.8	175.6	-60.2	176.1	174.3	175.2	-2.4	112.7	E391 V392 K396	E391-R394 WeakPolarHBondContact O-CA 3.38Å; E391-R394 VanDerWaalsContact O-CB 3.25Å; E391-R394 WeakPolarHBondContact O-CB 3.34Å; E391-R394 PolarHBondContact O-N 3.21Å; V392-R394 PolarHBondContact O-N 3.34Å; V392-R394 VanDerWaalsContact O-N 3.09Å; R394-K396 PolarHBondContact O-N 3.27Å
395	W	52.9	Low	62	Low	178 Å²	178	107 Å²	107	67%	0.674	51%	0.509	S	S	*	.	S	Bend	trans	-80	113.1	178.4	-61.3	37.8	0	0	0	105.1	V392 L397	V392-W395 WeakPolarHBondContact O-CA 3.21Å; V392-W395 WeakPolarHBondContact O-CB 3.42Å; V392-W395 PolarHBondContact O-N 3.49Å; W395-L397 PolarHBondContact O-N 2.8Å
396	K	46.5	Very low	61.6	Low	203 Å²	203	108.1 Å²	108.1	88%	0.883	52%	0.515	S	S	*	.			trans	-64.5	84.8	166.3	-71	-174.7	178.4	-177	0	106.9	R394 V398	R394-K396 PolarHBondContact O-N 3.27Å; K396-V398 PolarHBondContact O-N 3.4Å
397	L	45.7	Very low	61.5	Low	109 Å²	109	111.3 Å²	111.3	57%	0.571	54%	0.543	S	S	*	.			trans	-59.3	123.9	-178.5	-85.4	162	0	0	0	108.5	V392 W395 R399	V392-L397 HydrophobicContact CG1-CD1 3.74Å; W395-L397 PolarHBondContact O-N 2.8Å; L397-R399 PolarHBondContact O-N 3.24Å
398	V	43.7	Very low	61.8	Low	111 Å²	111	114 Å²	114	67%	0.673	55%	0.55	S	S	*	*			trans	-72.4	122.8	170	-179	0	0	0	0	106.7	K396 F400	K396-V398 PolarHBondContact O-N 3.4Å; V398-F400 PolarHBondContact O-N 2.68Å; V398-F400 VanDerWaalsContact O-N 3.09Å
399	R	42.9	Very low	62.6	Low	203 Å²	203	111.7 Å²	111.7	77%	0.766	54%	0.542	S	S	*	.			trans	-64.4	107.3	175.8	-163.6	-179	-169.6	-175.7	2.1	108.5	L397	L397-R399 PolarHBondContact O-N 3.24Å
400	F	44.1	Very low	63.4	Low	163 Å²	163	117.2 Å²	117.2	72%	0.715	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-83.2	125.5	161.6	-73.8	-83.2	0	0	0	107.5	V398 S402	V398-F400 PolarHBondContact O-N 2.68Å; V398-F400 VanDerWaalsContact O-N 3.09Å; F400-S402 PolarHBondContact O-N 3.23Å
401	P	46.9	Very low	64.3	Low	100 Å²	100	112.2 Å²	112.2	65%	0.649	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-60.8	135.1	168.3	24.6	-29.6	0	0	0	108.6	V403	P401-V403 WeakPolarHBondContact O-CG2 3.5Å; P401-V403 PolarHBondContact O-N 3.04Å
402	S	51.6	Low	65.5	Low	55 Å²	55	108.3 Å²	108.3	39%	0.385	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-59.7	120.2	166.5	-163.6	0	0	0	0	107.6	D226 F400	D226-S402 WeakPolarHBondContact OD1-CB 3.34Å; D226-S402 PolarHBondContact OD1-OG 3.13Å; F400-S402 PolarHBondContact O-N 3.23Å
403	V	51.1	Low	67	Low	136 Å²	136	112.7 Å²	112.7	82%	0.824	54%	0.54	S	S	*	.			trans	-89.2	-16.1	-175.7	-176.1	0	0	0	0	111.3	P401	P401-V403 WeakPolarHBondContact O-CG2 3.5Å; P401-V403 PolarHBondContact O-N 3.04Å
404	C	56.1	Low	68.6	Low	97 Å²	97	107.6 Å²	107.6	66%	0.655	52%	0.517	S	S	*	.	S	Bend	trans	-116.9	145.6	-174.2	-64.8	0	0	0	0	111.6	L406	C404-L406 PolarHBondContact O-N 2.93Å
405	E	68.8	Low	70.6	Confident	181 Å²	181	101.5 Å²	101.5	85%	0.846	50%	0.5	S	S	*	.			trans	-63.4	107.3	166.9	-169.8	171.9	-169.7	0	0	108.8
406	L	76.8	Confident	72.7	Confident	23 Å²	23	94 Å²	94	12%	0.12	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-71.2	130.4	179.2	-60.1	169.8	0	0	0	110	L222 D226 R233 C404	L222-L406 HydrophobicContact CD2-CD2 3.93Å; D226-L406 HydrophobicContact CB-CD1 3.67Å; D226-L406 HydrophobicContact CB-CD2 3.93Å; D226-L406 HydrophobicContact CB-CG 4.45Å; D226-L406 WeakPolarHBondContact OD1-CD1 3.29Å; R233-L406 PolarHBondContact NH1-O 2.88Å; C404-L406 PolarHBondContact O-N 2.93Å
407	A	85.1	Confident	75.1	Confident	78 Å²	78	87.6 Å²	87.6	65%	0.645	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-50.7	142.5	169.5	0	0	0	0	0	110.8	Q230	Q230-A407 PolarHBondContact NE2-O 3.39Å; Q230-A407 PolarHBondContact OE1-O 3.3Å
408	Y	89.9	Confident	77.5	Confident	145 Å²	145	88 Å²	88	57%	0.569	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-72.4	148.8	178.2	-74.6	-89	0	0	0	111.2	F237 R410	F237-Y408 HydrophobicContact CE2-CD1 4.08Å; F237-Y408 AromaticContact CZ-CD1 3.66Å; F237-Y408 HydrophobicContact CZ-CD1 3.66Å; F237-Y408 HydrophobicContact CZ-CE1 4.15Å; Y408-R410 PolarHBondContact O-N 3.32Å
409	P	95.2	Very high	80	Confident	9 Å²	9	87.4 Å²	87.4	6%	0.058	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-57.4	132.7	170.9	-14.4	24.3	0	0	0	110	F211 V212 I213 R233 V234	F211-P409 HydrophobicContact CB-CB 4.43Å; F211-P409 HydrophobicContact CD1-CB 4.32Å; V212-P409 WeakPolarHBondContact O-CA 3.36Å; I213-P409 HydrophobicContact CG1-CB 4.23Å; R233-P409 HydrophobicContact CB-CG 3.83Å; V234-P409 HydrophobicContact CG2-CB 3.56Å; V234-P409 HydrophobicContact CG2-CG 3.67Å
410	R	95.9	Very high	82.6	Confident	122 Å²	122	77.8 Å²	77.8	46%	0.46	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	114.4	-179.5	-179.8	171.8	60.3	84.7	-3.8	110.1	F211 V212 Y408	F211-R410 CarbonylContact C-O 3.56Å; F211-R410 WeakPolarHBondContact CA-O 3.11Å; V212-R410 HydrophobicContact CB-CB 4.34Å; V212-R410 PolarHBondContact N-O 3.46Å; V212-R410 PolarHBondContact O-N 2.92Å; Y408-R410 PolarHBondContact O-N 3.32Å
411	R	96.7	Very high	85.1	Confident	18 Å²	18	74.5 Å²	74.5	7%	0.068	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	134.8	172.3	-164.7	173.6	68.4	172.9	9.5	110.6	F210 F211 S241 M248 E249	F210-R411 WeakPolarHBondContact O-CA 3.21Å; F211-R411 HydrophobicContact CD1-CB 3.76Å; F211-R411 HydrophobicContact CD1-CG 4.07Å; F211-R411 HydrophobicContact CE1-CB 3.63Å; F211-R411 HydrophobicContact CE1-CG 3.72Å; F211-R411 HydrophobicContact CZ-CB 4.41Å; F211-R411 HydrophobicContact CZ-CG 3.99Å; S241-R411 PolarHBondContact OG-NH1 3.01Å; M248-R411 HydrophobicContact CE-CB 4.11Å; M248-R411 VanDerWaalsContact CE-NE 3.3Å; E249-R411 PolarHBondContact O-NH1 2.82Å; E249-R411 VanDerWaalsContact O-NH1 3.13Å; E249-R411 PolarHBondContact O-NH2 3.37Å
412	L	98.3	Very high	87.6	Confident	1 Å²	1	73 Å²	73	1%	0.005	39%	0.386	C	S	.	.			trans	-79.4	129	172.1	-57	-173.5	0	0	0	109.4	I203 F210 V212 N281 I285	I203-L412 HydrophobicContact CD1-CD1 4.45Å; F210-L412 HydrophobicContact CB-CB 4.18Å; F210-L412 HydrophobicContact CB-CD1 3.99Å; F210-L412 HydrophobicContact CB-CG 4.19Å; F210-L412 PolarHBondContact O-N 3.43Å; V212-L412 HydrophobicContact CG2-CD2 3.51Å; V212-L412 HydrophobicContact CG2-CG 4.13Å; N281-L412 HydrophobicContact CB-CD1 4.28Å; N281-L412 WeakPolarHBondContact OD1-CD2 3.2Å; I285-L412 HydrophobicContact CD1-CD1 3.89Å; I285-L412 HydrophobicContact CG1-CD1 3.76Å
413	K	97.6	Very high	89.8	Confident	108 Å²	108	71.9 Å²	71.9	47%	0.47	38%	0.375	S	S	.	.			trans	-109.5	138.2	178.9	-65.2	179.9	-179.4	-177.5	0	110.2	Q251 E277 N281	Q251-K413 VanDerWaalsContact OE1-CA 3.27Å; E277-K413 WeakPolarHBondContact OE1-CB 3.3Å; N281-K413 PolarHBondContact ND2-O 2.89Å
414	W	98.1	Very high	92.1	Very high	15 Å²	15	65.8 Å²	65.8	6%	0.057	34%	0.338	C	S	.	.			trans	-120	128.1	-171.6	-62	89.9	0	0	0	112.2	V254 N278 N281 L282 I285 W349 L416	V254-W414 HydrophobicContact CB-CD2 4.44Å; V254-W414 HydrophobicContact CG1-CB 4.27Å; V254-W414 HydrophobicContact CG1-CD2 3.88Å; V254-W414 HydrophobicContact CG1-CE3 4.37Å; V254-W414 HydrophobicContact CG1-CG 3.81Å; V254-W414 HydrophobicContact CG2-CD2 4.22Å; V254-W414 HydrophobicContact CG2-CG 4.46Å; V254-W414 HydrophobicContact CG2-CZ2 3.88Å; N278-W414 HydrophobicContact CB-CE3 4.29Å; N278-W414 HydrophobicContact CB-CZ3 4.41Å; N278-W414 WeakPolarHBondContact OD1-CA 3.47Å; N281-W414 HydrophobicContact CB-CE3 4.48Å; N281-W414 HydrophobicContact CB-CH2 3.69Å; N281-W414 HydrophobicContact CB-CZ2 3.88Å; N281-W414 HydrophobicContact CB-CZ3 4Å; L282-W414 HydrophobicContact CD2-CH2 3.93Å; L282-W414 HydrophobicContact CD2-CZ3 4.14Å; L282-W414 HydrophobicContact CG-CH2 4.18Å; L282-W414 HydrophobicContact CG-CZ3 4.11Å; I285-W414 HydrophobicContact CD1-CH2 4.1Å; I285-W414 HydrophobicContact CD1-CZ2 3.89Å; W349-W414 HydrophobicContact CH2-CH2 4.44Å; W414-L416 HydrophobicContact CB-CD2 4.17Å; W414-L416 HydrophobicContact CB-CG 4.11Å
415	N	97.9	Very high	94.1	Very high	77 Å²	77	65.7 Å²	65.7	41%	0.412	33%	0.331	S	S	.	.			trans	-95.6	96.4	174.9	-63.7	-33.5	0	0	0	109	D275 E277 N278	D275-N415 PolarHBondContact OD1-ND2 3.46Å; D275-N415 WeakPolarHBondContact OD2-CB 3.4Å; D275-N415 PolarHBondContact OD2-ND2 3.32Å; E277-N415 PolarHBondContact OE2-ND2 3.09Å; N278-N415 PolarHBondContact ND2-O 2.89Å; N278-N415 PolarHBondContact OD1-N 3.23Å
416	L	97.4	Very high	95.5	Very high	21 Å²	21	60.9 Å²	60.9	11%	0.11	31%	0.305	C	S	.	.			trans	-110.8	129.9	-175.9	-55.4	-170.7	0	0	0	111.8	P252 V254 L272 W414 K421 I424	P252-L416 HydrophobicContact CB-CD1 3.59Å; P252-L416 HydrophobicContact CG-CD1 3.7Å; P252-L416 HydrophobicContact CG-CG 4.35Å; V254-L416 HydrophobicContact CG1-CD1 3.95Å; L272-L416 HydrophobicContact CD2-CD2 3.43Å; L272-L416 VanDerWaalsContact CD2-CD2 3.43Å; W414-L416 HydrophobicContact CB-CD2 4.17Å; W414-L416 HydrophobicContact CB-CG 4.11Å; L416-K421 HydrophobicContact CB-CG 4.01Å; L416-K421 HydrophobicContact CD1-CG 4.44Å; L416-K421 VanDerWaalsContact O-CE 3.29Å; L416-K421 WeakPolarHBondContact O-CE 3.44Å; L416-I424 HydrophobicContact CD1-CD1 3.53Å
417	D	96.5	Very high	96.5	Very high	67 Å²	67	59.8 Å²	59.8	36%	0.358	30%	0.299	S	S	.	.			trans	-76.9	172.4	164.7	67.7	1.7	0	0	0	111.8	H271 N419 S420 K421	H271-D417 IonicContact CD2-OD2 3.2Å; H271-D417 IonicContact CE1-OD2 3.59Å; H271-D417 PolarHBondContact CE1-OD2 3.38Å; H271-D417 IonicContact NE2-OD1 3.83Å; H271-D417 IonicContact NE2-OD2 3.48Å; H271-D417 PolarHBondContact NE2-OD2 2.77Å; D417-N419 PolarHBondContact O-N 2.98Å; D417-S420 PolarHBondContact O-N 2.75Å; D417-S420 WeakPolarHBondContact OD1-CB 3.39Å; D417-S420 PolarHBondContact OD1-N 3.29Å; D417-S420 PolarHBondContact OD1-OG 3.08Å; D417-K421 WeakPolarHBondContact O-CG 3.35Å; D417-K421 PolarHBondContact O-N 3.22Å
418	D	96.8	Very high	97.2	Very high	118 Å²	118	56.7 Å²	56.7	63%	0.631	27%	0.272	S	S	*	.	H	α-helix	trans	-65.2	-29.6	-176.5	-64.3	-24.4	0	0	0	112.5	K421 S422	D418-K421 IonicContact OD1-NZ 2.75Å; D418-S422 WeakPolarHBondContact O-CB 3.32Å; D418-S422 PolarHBondContact O-N 2.86Å; D418-S422 PolarHBondContact O-OG 3.47Å
419	N	95.9	Very high	97.5	Very high	98 Å²	98	54.1 Å²	54.1	52%	0.524	27%	0.268	S	S	.	.	H	α-helix	trans	-66.2	-47.2	175.3	-178.1	59.9	0	0	0	111.2	D417 K421 S422 M423	D417-N419 PolarHBondContact O-N 2.98Å; N419-K421 VanDerWaalsContact C-N 3.34Å; N419-K421 PolarHBondContact O-N 3.06Å; N419-S422 WeakPolarHBondContact O-CB 3.37Å; N419-S422 PolarHBondContact O-N 3.24Å; N419-M423 WeakPolarHBondContact O-CG 3.18Å; N419-M423 PolarHBondContact O-N 3.01Å
420	S	97	Very high	97.6	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.014	27%	0.272	C	S	.	.	H	α-helix	trans	-64.2	-39	178.3	-55.7	0	0	0	0	111.8	H271 D417 M423 I424	H271-S420 PolarHBondContact CD2-OG 2.89Å; D417-S420 PolarHBondContact O-N 2.75Å; D417-S420 WeakPolarHBondContact OD1-CB 3.39Å; D417-S420 PolarHBondContact OD1-N 3.29Å; D417-S420 PolarHBondContact OD1-OG 3.08Å; S420-M423 PolarHBondContact O-N 3.06Å; S420-I424 PolarHBondContact O-N 3.07Å; S420-I424 VanDerWaalsContact O-N 3.09Å
421	K	97.9	Very high	97.7	Very high	93 Å²	93	49.3 Å²	49.3	40%	0.404	25%	0.25	S	C	.	.	H	α-helix	trans	-62.4	-45.9	172.9	-68.1	172.1	-170.8	164.6	0	111.7	L416 D417 D418 N419 M423 I424 D425	L416-K421 HydrophobicContact CB-CG 4.01Å; L416-K421 HydrophobicContact CD1-CG 4.44Å; L416-K421 VanDerWaalsContact O-CE 3.29Å; L416-K421 WeakPolarHBondContact O-CE 3.44Å; D417-K421 WeakPolarHBondContact O-CG 3.35Å; D417-K421 PolarHBondContact O-N 3.22Å; D418-K421 IonicContact OD1-NZ 2.75Å; N419-K421 VanDerWaalsContact C-N 3.34Å; N419-K421 PolarHBondContact O-N 3.06Å; K421-M423 PolarHBondContact O-N 2.94Å; K421-I424 WeakPolarHBondContact O-CB 3.5Å; K421-I424 PolarHBondContact O-N 2.73Å; K421-D425 PolarHBondContact O-N 3.07Å
422	S	98.3	Very high	97.8	Very high	70 Å²	70	50.2 Å²	50.2	49%	0.49	26%	0.256	S	S	.	.	H	α-helix	trans	-60.6	-34.3	175.9	-57.9	0	0	0	0	112	D418 N419 D425 Y426	D418-S422 WeakPolarHBondContact O-CB 3.32Å; D418-S422 PolarHBondContact O-N 2.86Å; D418-S422 PolarHBondContact O-OG 3.47Å; N419-S422 WeakPolarHBondContact O-CB 3.37Å; N419-S422 PolarHBondContact O-N 3.24Å; S422-D425 PolarHBondContact O-N 3.26Å; S422-Y426 WeakPolarHBondContact O-CB 3.4Å; S422-Y426 PolarHBondContact O-N 2.9Å
423	M	98.4	Very high	97.7	Very high	31 Å²	31	55.9 Å²	55.9	15%	0.153	28%	0.281	C	S	.	.	H	α-helix	trans	-70.4	-29.1	174.8	-75.1	-57.9	-54.8	0	0	113.4	L257 L260 V268 N419 S420 K421 Y426 A427	L257-M423 HydrophobicContact CD2-CB 4.05Å; L260-M423 HydrophobicContact CD1-CE 3.61Å; L260-M423 HydrophobicContact CD2-CE 3.94Å; L260-M423 HydrophobicContact CG-CE 4.45Å; V268-M423 HydrophobicContact CG2-CB 4Å; V268-M423 HydrophobicContact CG2-CE 3.91Å; V268-M423 HydrophobicContact CG2-CG 3.8Å; N419-M423 WeakPolarHBondContact O-CG 3.18Å; N419-M423 PolarHBondContact O-N 3.01Å; S420-M423 PolarHBondContact O-N 3.06Å; K421-M423 PolarHBondContact O-N 2.94Å; M423-Y426 HydrophobicContact CE-CD1 3.83Å; M423-Y426 HydrophobicContact CE-CE1 4.5Å; M423-Y426 HydrophobicContact SD-CD1 4.44Å; M423-A427 WeakPolarHBondContact O-CB 3.5Å; M423-A427 PolarHBondContact O-N 2.93Å
424	I	98.8	Very high	97.7	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.041	27%	0.265	C	S	.	.	H	α-helix	trans	-63.8	-48.8	169.4	-68.6	171	0	0	0	109.6	P252 R253 V254 A256 L257 L416 S420 K421 Y426 A427 L428	P252-I424 HydrophobicContact CB-CD1 3.88Å; R253-I424 HydrophobicContact CB-CG2 4.15Å; V254-I424 HydrophobicContact CG1-CD1 4.11Å; A256-I424 HydrophobicContact CB-CG2 4.39Å; L257-I424 HydrophobicContact CD1-CG1 4.05Å; L257-I424 HydrophobicContact CD2-CG1 3.79Å; L257-I424 HydrophobicContact CG-CG1 3.83Å; L416-I424 HydrophobicContact CD1-CD1 3.53Å; S420-I424 PolarHBondContact O-N 3.07Å; S420-I424 VanDerWaalsContact O-N 3.09Å; K421-I424 WeakPolarHBondContact O-CB 3.5Å; K421-I424 PolarHBondContact O-N 2.73Å; I424-Y426 VanDerWaalsContact C-N 3.31Å; I424-Y426 PolarHBondContact O-N 2.86Å; I424-A427 WeakPolarHBondContact O-CB 3.3Å; I424-A427 PolarHBondContact O-N 2.85Å; I424-A427 VanDerWaalsContact O-N 3.11Å; I424-L428 HydrophobicContact CG2-CD1 3.98Å; I424-L428 HydrophobicContact CG2-CG 4.34Å; I424-L428 VanDerWaalsContact O-CG 3.31Å; I424-L428 WeakPolarHBondContact O-CG 3.43Å; I424-L428 PolarHBondContact O-N 3.42Å
425	D	98.1	Very high	97.6	Very high	95 Å²	95	51.7 Å²	51.7	51%	0.508	27%	0.266	S	S	.	.	H	α-helix	trans	-61.7	-41	178.7	-65.8	-32.2	0	0	0	111.6	K421 S422 L428 N429	K421-D425 PolarHBondContact O-N 3.07Å; S422-D425 PolarHBondContact O-N 3.26Å; D425-L428 PolarHBondContact O-N 2.79Å; D425-N429 PolarHBondContact O-N 2.78Å; D425-N429 VanDerWaalsContact O-N 3.1Å; D425-N429 PolarHBondContact O-ND2 2.96Å
426	Y	98.3	Very high	97.6	Very high	79 Å²	79	54 Å²	54	31%	0.31	28%	0.278	S	S	.	.	H	α-helix	trans	-60.2	-46.5	172.7	-179.8	-102.1	0	0	0	111.3	L260 K264 S422 M423 I424 L428 N429 E430	L260-Y426 HydrophobicContact CD2-CD1 3.47Å; L260-Y426 VanDerWaalsContact CD2-CD1 3.47Å; L260-Y426 HydrophobicContact CD2-CE1 3.77Å; K264-Y426 HydrophobicContact CD-CE1 3.79Å; S422-Y426 WeakPolarHBondContact O-CB 3.4Å; S422-Y426 PolarHBondContact O-N 2.9Å; M423-Y426 HydrophobicContact CE-CD1 3.83Å; M423-Y426 HydrophobicContact CE-CE1 4.5Å; M423-Y426 HydrophobicContact SD-CD1 4.44Å; I424-Y426 VanDerWaalsContact C-N 3.31Å; I424-Y426 PolarHBondContact O-N 2.86Å; Y426-L428 PolarHBondContact O-N 2.73Å; Y426-N429 PolarHBondContact O-N 3.2Å; Y426-E430 HydrophobicContact CD1-CG 4.09Å; Y426-E430 HydrophobicContact CE1-CG 3.62Å; Y426-E430 HydrophobicContact CE2-CG 4.13Å; Y426-E430 WeakPolarHBondContact O-CG 3.31Å; Y426-E430 PolarHBondContact O-N 3.32Å
427	A	98.7	Very high	97.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.3	-39.8	178.8	0	0	0	0	0	113.2	A256 L260 M423 I424 N429 E430 I431	A256-A427 HydrophobicContact CB-CB 4.14Å; A256-A427 VanDerWaalsContact O-CB 3.3Å; A256-A427 WeakPolarHBondContact O-CB 3.4Å; L260-A427 HydrophobicContact CD1-CB 4.3Å; L260-A427 HydrophobicContact CD2-CB 3.56Å; L260-A427 HydrophobicContact CG-CB 3.64Å; M423-A427 WeakPolarHBondContact O-CB 3.5Å; M423-A427 PolarHBondContact O-N 2.93Å; I424-A427 WeakPolarHBondContact O-CB 3.3Å; I424-A427 PolarHBondContact O-N 2.85Å; I424-A427 VanDerWaalsContact O-N 3.11Å; A427-N429 VanDerWaalsContact C-N 3.33Å; A427-E430 PolarHBondContact O-N 2.73Å; A427-I431 PolarHBondContact O-N 3.14Å
428	L	98.6	Very high	97.7	Very high	14 Å²	14	51.7 Å²	51.7	7%	0.073	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-40.9	175.2	-70.2	170.9	0	0	0	111.6	A256 A346 I424 D425 Y426 I431 D432	A256-L428 HydrophobicContact CB-CD2 3.59Å; A256-L428 HydrophobicContact CB-CG 3.87Å; A346-L428 HydrophobicContact CB-CD2 4.08Å; I424-L428 HydrophobicContact CG2-CD1 3.98Å; I424-L428 HydrophobicContact CG2-CG 4.34Å; I424-L428 VanDerWaalsContact O-CG 3.31Å; I424-L428 WeakPolarHBondContact O-CG 3.43Å; I424-L428 PolarHBondContact O-N 3.42Å; D425-L428 PolarHBondContact O-N 2.79Å; Y426-L428 PolarHBondContact O-N 2.73Å; L428-I431 WeakPolarHBondContact O-CG2 3.44Å; L428-D432 PolarHBondContact O-N 2.85Å
429	N	98	Very high	97.8	Very high	90 Å²	90	47.4 Å²	47.4	48%	0.481	24%	0.243	S	C	.	.	H	α-helix	trans	-68.6	-37.2	174.3	-71.9	-58.1	0	0	0	112.3	D425 Y426 A427 D432 K433	D425-N429 PolarHBondContact O-N 2.78Å; D425-N429 VanDerWaalsContact O-N 3.1Å; D425-N429 PolarHBondContact O-ND2 2.96Å; Y426-N429 PolarHBondContact O-N 3.2Å; A427-N429 VanDerWaalsContact C-N 3.33Å; N429-D432 PolarHBondContact O-N 3.28Å; N429-K433 VanDerWaalsContact O-CG 3.32Å; N429-K433 WeakPolarHBondContact O-CG 3.18Å; N429-K433 PolarHBondContact O-N 3.05Å; N429-K433 VanDerWaalsContact O-N 3.09Å
430	E	96.8	Very high	97.9	Very high	30 Å²	30	43.3 Å²	43.3	14%	0.14	22%	0.221	C	C	.	.	H	α-helix	trans	-66.7	-43	178.4	-70.5	-60.5	115.4	0	0	112.1	Y426 A427 D432 K433 I434	Y426-E430 HydrophobicContact CD1-CG 4.09Å; Y426-E430 HydrophobicContact CE1-CG 3.62Å; Y426-E430 HydrophobicContact CE2-CG 4.13Å; Y426-E430 WeakPolarHBondContact O-CG 3.31Å; Y426-E430 PolarHBondContact O-N 3.32Å; A427-E430 PolarHBondContact O-N 2.73Å; E430-D432 VanDerWaalsContact C-N 3.31Å; E430-D432 PolarHBondContact O-N 3.43Å; E430-K433 PolarHBondContact O-N 2.88Å; E430-K433 IonicContact OE1-NZ 2.87Å; E430-K433 PolarHBondContact OE1-NZ 3.26Å; E430-I434 WeakPolarHBondContact O-CG1 3.45Å; E430-I434 PolarHBondContact O-N 3.09Å; E430-I434 VanDerWaalsContact O-N 3.11Å
431	I	97.5	Very high	98	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.7	-35.1	177.4	-168.7	57.6	0	0	0	112	P109 A259 H337 A345 A427 L428 I434 A435	P109-I431 HydrophobicContact CB-CD1 3.55Å; P109-I431 HydrophobicContact CG-CD1 3.81Å; A259-I431 HydrophobicContact CB-CB 4.1Å; A259-I431 HydrophobicContact CB-CD1 4.2Å; A259-I431 HydrophobicContact CB-CG1 4.35Å; H337-I431 HydrophobicContact CB-CD1 3.81Å; H337-I431 HydrophobicContact CB-CG1 4.2Å; A345-I431 HydrophobicContact CB-CG1 4.05Å; A345-I431 HydrophobicContact CB-CG2 3.81Å; A427-I431 PolarHBondContact O-N 3.14Å; L428-I431 WeakPolarHBondContact O-CG2 3.44Å; I431-I434 PolarHBondContact O-N 3.15Å; I431-A435 VanDerWaalsContact O-CB 3.23Å; I431-A435 WeakPolarHBondContact O-CB 3.37Å; I431-A435 PolarHBondContact O-N 2.89Å
432	D	98.3	Very high	98	Very high	38 Å²	38	43.9 Å²	43.9	20%	0.203	22%	0.222	C	C	.	.	H	α-helix	trans	-64	-44.7	174.1	-75.3	-16.6	0	0	0	111.8	G340 S341 L428 N429 E430 I434 A435 D436	G340-D432 VanDerWaalsContact CA-OD1 3.26Å; G340-D432 WeakPolarHBondContact CA-OD1 3.27Å; S341-D432 WeakPolarHBondContact CB-OD1 3.48Å; S341-D432 WeakPolarHBondContact CB-OD2 3.36Å; S341-D432 PolarHBondContact N-OD1 3.31Å; S341-D432 VanDerWaalsContact OG-CG 3.31Å; S341-D432 PolarHBondContact OG-OD1 3.49Å; S341-D432 PolarHBondContact OG-OD2 3.4Å; L428-D432 PolarHBondContact O-N 2.85Å; N429-D432 PolarHBondContact O-N 3.28Å; E430-D432 VanDerWaalsContact C-N 3.31Å; E430-D432 PolarHBondContact O-N 3.43Å; D432-I434 VanDerWaalsContact C-N 3.34Å; D432-I434 PolarHBondContact O-N 3.31Å; D432-A435 PolarHBondContact O-N 2.98Å; D432-D436 WeakPolarHBondContact O-CB 3.26Å; D432-D436 PolarHBondContact O-N 2.94Å
433	K	97.4	Very high	98	Very high	119 Å²	119	41.1 Å²	41.1	52%	0.517	20%	0.202	S	C	.	.	H	α-helix	trans	-58.4	-45.1	176.1	-71.1	170.4	-168	169.3	0	112.2	N429 E430 D436 D437	N429-K433 VanDerWaalsContact O-CG 3.32Å; N429-K433 WeakPolarHBondContact O-CG 3.18Å; N429-K433 PolarHBondContact O-N 3.05Å; N429-K433 VanDerWaalsContact O-N 3.09Å; E430-K433 PolarHBondContact O-N 2.88Å; E430-K433 IonicContact OE1-NZ 2.87Å; E430-K433 PolarHBondContact OE1-NZ 3.26Å; K433-D436 PolarHBondContact O-N 2.56Å; K433-D437 WeakPolarHBondContact O-CB 3.28Å; K433-D437 PolarHBondContact O-N 3.25Å
434	I	96.4	Very high	97.9	Very high	25 Å²	25	42.9 Å²	42.9	13%	0.128	21%	0.207	C	C	.	.	H	α-helix	trans	-71	-37.7	-178.4	-57.9	166.5	0	0	0	110.3	P107 I110 E430 I431 D432 D437 L438 W624	P107-I434 HydrophobicContact CB-CD1 3.88Å; P107-I434 HydrophobicContact CG-CD1 3.69Å; I110-I434 HydrophobicContact CB-CG2 4.48Å; I110-I434 HydrophobicContact CD1-CB 4.4Å; I110-I434 HydrophobicContact CD1-CG2 3.56Å; E430-I434 WeakPolarHBondContact O-CG1 3.45Å; E430-I434 PolarHBondContact O-N 3.09Å; E430-I434 VanDerWaalsContact O-N 3.11Å; I431-I434 PolarHBondContact O-N 3.15Å; D432-I434 VanDerWaalsContact C-N 3.34Å; D432-I434 PolarHBondContact O-N 3.31Å; I434-D437 PolarHBondContact O-N 2.94Å; I434-L438 PolarHBondContact O-N 3.34Å; I434-L438 VanDerWaalsContact O-N 3.12Å; I434-W624 HydrophobicContact CG2-CH2 3.9Å; I434-W624 HydrophobicContact CG2-CZ3 3.8Å
435	A	96.8	Very high	97.9	Very high	11 Å²	11	42.5 Å²	42.5	9%	0.091	21%	0.205	C	C	.	.	H	α-helix	trans	-61.5	-46.1	174.1	0	0	0	0	0	111.9	H337 I431 D432 D437 L438	H337-A435 VanDerWaalsContact CE1-CB 3.48Å; H337-A435 WeakPolarHBondContact CE1-CB 3.2Å; H337-A435 WeakPolarHBondContact ND1-CB 3.38Å; I431-A435 VanDerWaalsContact O-CB 3.23Å; I431-A435 WeakPolarHBondContact O-CB 3.37Å; I431-A435 PolarHBondContact O-N 2.89Å; D432-A435 PolarHBondContact O-N 2.98Å; A435-D437 VanDerWaalsContact C-N 3.3Å; A435-D437 PolarHBondContact O-N 3.13Å; A435-L438 PolarHBondContact O-N 2.95Å
436	D	97.2	Very high	97.9	Very high	125 Å²	125	45.8 Å²	45.8	67%	0.668	22%	0.215	S	C	*	.	H	α-helix	trans	-67.3	-30.3	178.2	-74.8	-14.8	0	0	0	112.5	D432 K433 R625	D432-D436 WeakPolarHBondContact O-CB 3.26Å; D432-D436 PolarHBondContact O-N 2.94Å; K433-D436 PolarHBondContact O-N 2.56Å; D436-R625 PolarHBondContact O-NH1 3.42Å
437	D	97.8	Very high	97.9	Very high	38 Å²	38	46.2 Å²	46.2	20%	0.203	22%	0.22	C	C	.	.	H	α-helix	trans	-79.6	-21.3	178.3	-165.1	37.2	0	0	0	113.6	K433 I434 A435 D439 W624 R625 T626	K433-D437 WeakPolarHBondContact O-CB 3.28Å; K433-D437 PolarHBondContact O-N 3.25Å; I434-D437 PolarHBondContact O-N 2.94Å; A435-D437 VanDerWaalsContact C-N 3.3Å; A435-D437 PolarHBondContact O-N 3.13Å; D437-D439 PolarHBondContact O-N 3.43Å; D437-W624 HydrophobicContact CB-CE3 4.25Å; D437-R625 WeakPolarHBondContact O-CG 3.47Å; D437-R625 PolarHBondContact O-N 3.42Å; D437-R625 PolarHBondContact OD1-N 3.16Å; D437-T626 WeakPolarHBondContact OD1-CB 3.3Å; D437-T626 PolarHBondContact OD1-N 3.14Å; D437-T626 PolarHBondContact OD1-OG1 3.26Å; D437-T626 PolarHBondContact OD2-OG1 2.9Å
438	L	98.4	Very high	97.9	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	109	-177.5	176.6	64.7	0	0	0	112.4	I110 L333 L336 I434 A435 W624 R625	I110-L438 HydrophobicContact CD1-CB 4.44Å; I110-L438 HydrophobicContact CD1-CD2 3.98Å; I110-L438 HydrophobicContact CG1-CD2 3.99Å; I110-L438 HydrophobicContact CG2-CD1 3.94Å; I110-L438 HydrophobicContact CG2-CD2 3.86Å; I110-L438 HydrophobicContact CG2-CG 4.39Å; L333-L438 HydrophobicContact CD2-CD2 3.75Å; L333-L438 HydrophobicContact CD2-CG 4.44Å; L336-L438 HydrophobicContact CD1-CD2 3.85Å; I434-L438 PolarHBondContact O-N 3.34Å; I434-L438 VanDerWaalsContact O-N 3.12Å; A435-L438 PolarHBondContact O-N 2.95Å; L438-W624 HydrophobicContact CB-CZ3 4.09Å; L438-W624 HydrophobicContact CD1-CZ3 4.3Å; L438-R625 VanDerWaalsContact O-CZ 3.28Å; L438-R625 PolarHBondContact O-NH1 2.76Å; L438-R625 PolarHBondContact O-NH2 3.27Å; L438-R625 VanDerWaalsContact O-NH2 3.16Å
439	D	98.6	Very high	97.8	Very high	28 Å²	28	46.2 Å²	46.2	15%	0.15	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	126.3	168.4	-162.4	31.4	0	0	0	111.4	D437 S622 C623 R625 A632	D437-D439 PolarHBondContact O-N 3.43Å; D439-S622 CarbonylContact O-C 3.57Å; D439-S622 WeakPolarHBondContact O-CA 3.37Å; D439-C623 PolarHBondContact N-O 2.91Å; D439-C623 PolarHBondContact O-N 3.42Å; D439-R625 VanDerWaalsContact CA-NH2 3.3Å; D439-R625 HydrophobicContact CB-CG 3.87Å; D439-R625 IonicContact OD1-CZ 2.8Å; D439-R625 IonicContact OD1-NE 3.73Å; D439-R625 IonicContact OD1-NH2 2.79Å; D439-R625 PolarHBondContact OD1-NH2 3.18Å; D439-A632 HydrophobicContact CB-CB 4.33Å; D439-A632 WeakPolarHBondContact OD2-CB 3.31Å; D439-A632 PolarHBondContact OD2-N 3.03Å
440	L	98.5	Very high	97.8	Very high	11 Å²	11	45.7 Å²	45.7	6%	0.058	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	133.4	-171.7	-168.6	74	0	0	0	110.6	V329 A332 L333 L336 I442 V620 I621	V329-L440 HydrophobicContact CG1-CB 4.36Å; V329-L440 HydrophobicContact CG1-CD2 4.41Å; A332-L440 HydrophobicContact CB-CD2 3.63Å; L333-L440 HydrophobicContact CD2-CB 4.36Å; L333-L440 HydrophobicContact CD2-CD2 3.94Å; L333-L440 HydrophobicContact CG-CD2 4.25Å; L336-L440 HydrophobicContact CD1-CD2 4.45Å; L440-I442 HydrophobicContact CD2-CD1 4.14Å; L440-I442 HydrophobicContact CG-CD1 4.2Å; L440-V620 HydrophobicContact CD1-CG1 3.7Å; L440-V620 HydrophobicContact CG-CG1 4.41Å; L440-I621 CarbonylContact C-O 3.56Å; L440-I621 WeakPolarHBondContact CA-O 3.37Å
441	Y	98.5	Very high	97.9	Very high	89 Å²	89	48.3 Å²	48.3	35%	0.349	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	137	175.3	-166.7	-83.1	0	0	0	110.5	L443 I621 A636	Y441-L443 HydrophobicContact CD1-CB 4.34Å; Y441-L443 HydrophobicContact CE1-CB 4.22Å; Y441-I621 PolarHBondContact N-O 2.9Å; Y441-I621 PolarHBondContact O-N 3.45Å; Y441-A636 HydrophobicContact CD1-CB 3.27Å; Y441-A636 HydrophobicContact CE1-CB 3.49Å; Y441-A636 VanDerWaalsContact CE1-CB 3.49Å; Y441-A636 HydrophobicContact CG-CB 3.92Å
442	I	98.2	Very high	97.9	Very high	19 Å²	19	49.5 Å²	49.5	10%	0.097	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	106.2	175.4	-63	78.9	0	0	0	108.2	D328 V329 L440 R444 F595 V618 V619 V620	D328-I442 HydrophobicContact CB-CB 4.18Å; D328-I442 HydrophobicContact CB-CD1 4.35Å; D328-I442 HydrophobicContact CB-CG1 4.2Å; D328-I442 HydrophobicContact CB-CG2 4.31Å; V329-I442 VanDerWaalsContact CA-CD1 3.48Å; V329-I442 HydrophobicContact CB-CD1 4.04Å; V329-I442 HydrophobicContact CG2-CD1 3.48Å; V329-I442 VanDerWaalsContact CG2-CD1 3.48Å; L440-I442 HydrophobicContact CD2-CD1 4.14Å; L440-I442 HydrophobicContact CG-CD1 4.2Å; I442-R444 HydrophobicContact CG2-CG 4.32Å; I442-F595 HydrophobicContact CG1-CE2 4.07Å; I442-F595 HydrophobicContact CG1-CZ 4.33Å; I442-V618 HydrophobicContact CG2-CG1 4.13Å; I442-V619 CarbonylContact C-O 3.58Å; I442-V620 HydrophobicContact CG1-CG1 4.25Å; I442-V620 HydrophobicContact CG1-CG2 4.12Å
443	L	98.4	Very high	97.9	Very high	12 Å²	12	47.8 Å²	47.8	6%	0.063	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	119.4	172.9	176	63.1	0	0	0	109.4	Y441 V618 V619 A636 L639 D640 F643	Y441-L443 HydrophobicContact CD1-CB 4.34Å; Y441-L443 HydrophobicContact CE1-CB 4.22Å; L443-V618 CarbonylContact O-C 3.6Å; L443-V618 WeakPolarHBondContact O-CA 3.3Å; L443-V619 HydrophobicContact CB-CB 4.33Å; L443-V619 PolarHBondContact N-O 2.8Å; L443-V619 PolarHBondContact O-N 2.99Å; L443-A636 HydrophobicContact CB-CB 4.42Å; L443-L639 HydrophobicContact CD2-CB 4.19Å; L443-L639 HydrophobicContact CD2-CD2 4.01Å; L443-L639 HydrophobicContact CD2-CG 4.04Å; L443-D640 HydrophobicContact CD1-CB 4.16Å; L443-D640 HydrophobicContact CD2-CB 4.35Å; L443-F643 HydrophobicContact CD2-CD2 4.49Å; L443-F643 HydrophobicContact CD2-CE2 4.21Å
444	R	96.9	Very high	97.8	Very high	67 Å²	67	43.7 Å²	43.7	25%	0.253	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	89.5	167.6	-65.9	-172.5	178.5	-104.1	11.9	109.5	D328 I442 K446 D593 V618	D328-R444 IonicContact OD1-NH2 3.91Å; D328-R444 IonicContact OD2-CZ 2.68Å; D328-R444 IonicContact OD2-NE 3.82Å; D328-R444 PolarHBondContact OD2-NE 3.23Å; D328-R444 IonicContact OD2-NH2 3.13Å; D328-R444 PolarHBondContact OD2-NH2 3.08Å; I442-R444 HydrophobicContact CG2-CG 4.32Å; R444-K446 PolarHBondContact O-N 2.81Å; R444-D593 IonicContact CZ-OD1 3.67Å; R444-D593 IonicContact NH1-OD1 3.48Å; R444-D593 PolarHBondContact NH1-OD1 2.98Å; R444-D593 IonicContact NH2-OD1 2.8Å; R444-D593 PolarHBondContact NH2-OD1 2.95Å; R444-D593 VanDerWaalsContact NH2-OD1 3.14Å; R444-V618 HydrophobicContact CG-CG1 4.48Å; R444-V618 HydrophobicContact CG-CG2 4.31Å
445	Y	98.4	Very high	97.8	Very high	1 Å²	1	46.4 Å²	46.4	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	115.7	178.9	-177.9	-98.2	0	0	0	110.6	Q447 Y448 N616 I617 D640 F643 T644	Y445-Q447 HydrophobicContact CE1-CB 3.79Å; Y445-Q447 HydrophobicContact CE1-CG 4.31Å; Y445-Q447 HydrophobicContact CE2-CB 4.2Å; Y445-Q447 HydrophobicContact CE2-CG 3.81Å; Y445-Q447 WeakPolarHBondContact OH-CB 3.45Å; Y445-Q447 VanDerWaalsContact OH-CD 3.24Å; Y445-Q447 PolarHBondContact OH-OE1 3.26Å; Y445-Y448 AromaticContact CE1-CD1 3.43Å; Y445-Y448 HydrophobicContact CE1-CD1 3.43Å; Y445-Y448 VanDerWaalsContact CE1-CD1 3.43Å; Y445-Y448 HydrophobicContact CE1-CD2 4.36Å; Y445-Y448 AromaticContact CE1-CE1 3.34Å; Y445-Y448 HydrophobicContact CE1-CE1 3.34Å; Y445-Y448 HydrophobicContact CE1-CE2 4.27Å; Y445-Y448 AromaticContact CE1-CG 3.96Å; Y445-Y448 HydrophobicContact CE1-CG 3.96Å; Y445-Y448 AromaticContact CE1-CZ 3.76Å; Y445-Y448 AromaticContact CZ-CD1 3.92Å; Y445-Y448 AromaticContact CZ-CE1 3.64Å; Y445-Y448 WeakPolarHBondContact OH-CD1 3.42Å; Y445-Y448 WeakPolarHBondContact OH-CE1 3.26Å; Y445-N616 CarbonylContact O-C 3.47Å; Y445-N616 VanDerWaalsContact O-CA 3.23Å; Y445-N616 WeakPolarHBondContact O-CA 3.46Å; Y445-N616 VanDerWaalsContact O-CB 3.29Å; Y445-N616 WeakPolarHBondContact O-CB 3.37Å; Y445-I617 HydrophobicContact CD1-CD1 4.37Å; Y445-I617 PolarHBondContact N-O 3.33Å; Y445-I617 PolarHBondContact O-N 2.86Å; Y445-D640 WeakPolarHBondContact CD2-OD2 3.29Å; Y445-F643 HydrophobicContact CD1-CB 4.3Å; Y445-F643 HydrophobicContact CD1-CD2 4.15Å; Y445-F643 HydrophobicContact CD1-CG 4.42Å; Y445-F643 HydrophobicContact CD2-CB 4.11Å; Y445-F643 AromaticContact CD2-CD2 3.98Å; Y445-F643 HydrophobicContact CD2-CD2 3.98Å; Y445-F643 HydrophobicContact CE1-CB 3.9Å; Y445-F643 HydrophobicContact CE1-CG 4.46Å; Y445-F643 HydrophobicContact CE2-CB 3.7Å; Y445-F643 HydrophobicContact CE2-CD2 4.44Å; Y445-F643 HydrophobicContact CG-CB 4.37Å; Y445-F643 AromaticContact CG-CD2 3.79Å; Y445-F643 HydrophobicContact CG-CD2 3.79Å; Y445-F643 HydrophobicContact CG-CG 4.42Å; Y445-T644 PolarHBondContact OH-OG1 3.09Å
446	K	97.8	Very high	97.7	Very high	163 Å²	163	46.1 Å²	46.1	71%	0.709	22%	0.216	S	C	*	.			trans	-107.5	2.7	-168.9	-65.1	-179.9	-178.1	-179.3	0	115.1	R444	R444-K446 PolarHBondContact O-N 2.81Å
447	Q	98.1	Very high	97.5	Very high	89 Å²	89	43.6 Å²	43.6	42%	0.416	20%	0.202	S	C	.	.	S	Bend	trans	-81.7	-26.7	-173.5	-50.3	-179.8	12	0	0	113	Y445 T644 R647	Y445-Q447 HydrophobicContact CE1-CB 3.79Å; Y445-Q447 HydrophobicContact CE1-CG 4.31Å; Y445-Q447 HydrophobicContact CE2-CB 4.2Å; Y445-Q447 HydrophobicContact CE2-CG 3.81Å; Y445-Q447 WeakPolarHBondContact OH-CB 3.45Å; Y445-Q447 VanDerWaalsContact OH-CD 3.24Å; Y445-Q447 PolarHBondContact OH-OE1 3.26Å; Q447-T644 PolarHBondContact NE2-OG1 2.93Å; Q447-T644 PolarHBondContact OE1-OG1 3.36Å; Q447-R647 PolarHBondContact O-NH1 3.41Å; Q447-R647 VanDerWaalsContact O-NH1 3.1Å
448	Y	98.4	Very high	97.4	Very high	13 Å²	13	41.8 Å²	41.8	5%	0.051	19%	0.193	C	C	.	.			trans	-163.2	167.2	171.1	67.4	-97.6	0	0	0	110.1	Y445 F452 F463 D615 N616 I617 F643 R647	Y445-Y448 AromaticContact CE1-CD1 3.43Å; Y445-Y448 HydrophobicContact CE1-CD1 3.43Å; Y445-Y448 VanDerWaalsContact CE1-CD1 3.43Å; Y445-Y448 HydrophobicContact CE1-CD2 4.36Å; Y445-Y448 AromaticContact CE1-CE1 3.34Å; Y445-Y448 HydrophobicContact CE1-CE1 3.34Å; Y445-Y448 HydrophobicContact CE1-CE2 4.27Å; Y445-Y448 AromaticContact CE1-CG 3.96Å; Y445-Y448 HydrophobicContact CE1-CG 3.96Å; Y445-Y448 AromaticContact CE1-CZ 3.76Å; Y445-Y448 AromaticContact CZ-CD1 3.92Å; Y445-Y448 AromaticContact CZ-CE1 3.64Å; Y445-Y448 WeakPolarHBondContact OH-CD1 3.42Å; Y445-Y448 WeakPolarHBondContact OH-CE1 3.26Å; Y448-F452 HydrophobicContact CD1-CD1 4.18Å; Y448-F452 HydrophobicContact CD2-CB 3.75Å; Y448-F452 AromaticContact CD2-CD1 3.7Å; Y448-F452 HydrophobicContact CD2-CD1 3.7Å; Y448-F452 HydrophobicContact CD2-CG 4.09Å; Y448-F452 HydrophobicContact CE1-CD1 4.26Å; Y448-F452 AromaticContact CE2-CD1 3.83Å; Y448-F452 HydrophobicContact CE2-CD1 3.83Å; Y448-F452 HydrophobicContact CG-CB 3.88Å; Y448-F452 AromaticContact CG-CD1 3.9Å; Y448-F452 HydrophobicContact CG-CD1 3.9Å; Y448-F452 HydrophobicContact CG-CG 4.07Å; Y448-F463 HydrophobicContact CE2-CE1 4.34Å; Y448-F463 WeakPolarHBondContact OH-CE1 3.28Å; Y448-D615 CarbonylContact C-O 3.59Å; Y448-D615 WeakPolarHBondContact CA-O 3.18Å; Y448-N616 WeakPolarHBondContact O-CA 3.46Å; Y448-I617 HydrophobicContact CD2-CD1 4.33Å; Y448-I617 HydrophobicContact CE2-CD1 3.79Å; Y448-F643 HydrophobicContact CE1-CB 4.36Å; Y448-F643 WeakPolarHBondContact OH-CA 3.49Å; Y448-F643 VanDerWaalsContact OH-CB 3.3Å; Y448-F643 WeakPolarHBondContact OH-CB 3.39Å; Y448-F643 WeakPolarHBondContact OH-CD1 3.29Å; Y448-F643 PolarHBondContact OH-O 3.41Å; Y448-R647 HydrophobicContact CD1-CB 4.1Å; Y448-R647 HydrophobicContact CD1-CG 4.29Å; Y448-R647 HydrophobicContact CE1-CB 3.64Å; Y448-R647 HydrophobicContact CE1-CG 4.32Å
449	G	97.8	Very high	97.2	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.01	20%	0.203	C	C	.	.			trans	-128.9	-157.8	171.3	0	0	0	0	0	112.4	E451 F452 P453 H613 P614 D615	G449-E451 PolarHBondContact O-N 3.08Å; G449-F452 PolarHBondContact O-N 2.7Å; G449-F452 VanDerWaalsContact O-N 3.08Å; G449-P453 VanDerWaalsContact O-CD 3.29Å; G449-P453 WeakPolarHBondContact O-CD 3.35Å; G449-H613 CarbonylContact C-O 3.49Å; G449-H613 VanDerWaalsContact CA-O 3.27Å; G449-H613 WeakPolarHBondContact CA-O 3.4Å; G449-P614 CarbonylContact C-O 3.1Å; G449-P614 VanDerWaalsContact C-O 3.29Å; G449-P614 VanDerWaalsContact CA-O 3.27Å; G449-P614 WeakPolarHBondContact CA-O 3.35Å; G449-D615 PolarHBondContact N-O 2.91Å
450	R	97.4	Very high	97.1	Very high	79 Å²	79	42.8 Å²	42.8	30%	0.298	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-21.6	-175.4	72.3	-176.5	175.6	-152	3.9	114.7	F452 P453 K454 P460 P612 H613 P614	R450-F452 VanDerWaalsContact C-N 3.31Å; R450-P453 WeakPolarHBondContact O-CD 3.43Å; R450-K454 WeakPolarHBondContact O-CG 3.3Å; R450-P460 HydrophobicContact CB-CB 3.69Å; R450-P460 HydrophobicContact CB-CG 3.85Å; R450-P460 VanDerWaalsContact O-CG 3.28Å; R450-P460 WeakPolarHBondContact O-CG 3.11Å; R450-P612 HydrophobicContact CB-CB 4.13Å; R450-P612 WeakPolarHBondContact CD-O 3.26Å; R450-P612 PolarHBondContact NH1-O 2.72Å; R450-H613 WeakPolarHBondContact CG-O 3.22Å; R450-H613 PolarHBondContact N-O 3.06Å; R450-P614 PolarHBondContact N-O 3.09Å
451	E	98.1	Very high	97	Very high	85 Å²	85	43.2 Å²	43.2	40%	0.397	20%	0.204	S	C	.	.	H	α-helix	trans	-70.5	-29.8	179.9	-63.7	-52.4	128.2	0	0	112	G449 K454 T455 P614	G449-E451 PolarHBondContact O-N 3.08Å; E451-K454 WeakPolarHBondContact O-CB 3.47Å; E451-K454 PolarHBondContact O-N 2.84Å; E451-K454 IonicContact OE1-NZ 3.18Å; E451-K454 PolarHBondContact OE1-NZ 3.28Å; E451-K454 IonicContact OE2-NZ 3.14Å; E451-T455 VanDerWaalsContact O-CG2 3.29Å; E451-T455 WeakPolarHBondContact O-CG2 3.26Å; E451-T455 PolarHBondContact O-N 3.08Å; E451-P614 WeakPolarHBondContact CB-O 3.42Å; E451-P614 HydrophobicContact CG-CB 4Å; E451-P614 PolarHBondContact N-O 3.22Å
452	F	98.3	Very high	96.9	Very high	24 Å²	24	39 Å²	39	11%	0.105	19%	0.187	C	C	.	.	H	α-helix	trans	-62.8	-55.1	179.6	165.3	-106.2	0	0	0	113	Y448 G449 R450 K454 T455 F463 R647 V650 L651	Y448-F452 HydrophobicContact CD1-CD1 4.18Å; Y448-F452 HydrophobicContact CD2-CB 3.75Å; Y448-F452 AromaticContact CD2-CD1 3.7Å; Y448-F452 HydrophobicContact CD2-CD1 3.7Å; Y448-F452 HydrophobicContact CD2-CG 4.09Å; Y448-F452 HydrophobicContact CE1-CD1 4.26Å; Y448-F452 AromaticContact CE2-CD1 3.83Å; Y448-F452 HydrophobicContact CE2-CD1 3.83Å; Y448-F452 HydrophobicContact CG-CB 3.88Å; Y448-F452 AromaticContact CG-CD1 3.9Å; Y448-F452 HydrophobicContact CG-CD1 3.9Å; Y448-F452 HydrophobicContact CG-CG 4.07Å; G449-F452 PolarHBondContact O-N 2.7Å; G449-F452 VanDerWaalsContact O-N 3.08Å; R450-F452 VanDerWaalsContact C-N 3.31Å; F452-K454 PolarHBondContact O-N 3.44Å; F452-T455 WeakPolarHBondContact O-CB 3.34Å; F452-T455 PolarHBondContact O-N 3.27Å; F452-T455 PolarHBondContact O-OG1 2.76Å; F452-F463 HydrophobicContact CE1-CE2 4.28Å; F452-F463 AromaticContact CE1-CZ 3.96Å; F452-F463 HydrophobicContact CE1-CZ 3.96Å; F452-R647 HydrophobicContact CD1-CB 4.48Å; F452-R647 HydrophobicContact CE1-CB 3.72Å; F452-R647 HydrophobicContact CE1-CG 3.9Å; F452-R647 HydrophobicContact CE2-CG 4.09Å; F452-R647 HydrophobicContact CZ-CB 3.88Å; F452-R647 HydrophobicContact CZ-CG 3.65Å; F452-V650 HydrophobicContact CE2-CG1 4.49Å; F452-V650 HydrophobicContact CZ-CB 4.14Å; F452-V650 HydrophobicContact CZ-CG1 3.88Å; F452-L651 HydrophobicContact CE2-CD1 4.43Å; F452-L651 HydrophobicContact CE2-CD2 4Å; F452-L651 HydrophobicContact CE2-CG 4.06Å; F452-L651 HydrophobicContact CZ-CG 4.31Å
453	P	97.6	Very high	96.9	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.019	18%	0.183	C	C	.	.	H	α-helix	trans	-57.1	-35.3	177.3	-26.5	35.9	0	0	0	112.9	G449 R450 T455 V456 N457 M458 P460 F463	G449-P453 VanDerWaalsContact O-CD 3.29Å; G449-P453 WeakPolarHBondContact O-CD 3.35Å; R450-P453 WeakPolarHBondContact O-CD 3.43Å; P453-T455 VanDerWaalsContact C-N 3.27Å; P453-T455 PolarHBondContact O-N 2.92Å; P453-V456 VanDerWaalsContact O-CG2 3.26Å; P453-V456 WeakPolarHBondContact O-CG2 3.35Å; P453-V456 PolarHBondContact O-N 3.45Å; P453-V456 VanDerWaalsContact O-N 3.15Å; P453-N457 PolarHBondContact O-N 3.19Å; P453-M458 CarbonylContact C-O 3.41Å; P453-M458 VanDerWaalsContact C-O 3.29Å; P453-M458 HydrophobicContact CB-CB 3.97Å; P453-M458 WeakPolarHBondContact O-CB 3.28Å; P453-M458 PolarHBondContact O-N 3.41Å; P453-P460 HydrophobicContact CB-CG 4.41Å; P453-F463 HydrophobicContact CB-CB 4.14Å; P453-F463 HydrophobicContact CB-CD2 3.99Å; P453-F463 HydrophobicContact CB-CG 4.11Å; P453-F463 HydrophobicContact CG-CB 4.04Å; P453-F463 HydrophobicContact CG-CD1 4.13Å; P453-F463 HydrophobicContact CG-CD2 3.98Å; P453-F463 HydrophobicContact CG-CE2 4.45Å; P453-F463 HydrophobicContact CG-CG 3.78Å
454	K	96.3	Very high	96.9	Very high	33 Å²	33	37.7 Å²	37.7	14%	0.143	18%	0.181	C	C	.	.	H	α-helix	trans	-60	-35.5	176.2	-66.7	177.4	-176.6	-179.2	0	112.4	R450 E451 F452 V456 N457 P460 V681 G683	R450-K454 WeakPolarHBondContact O-CG 3.3Å; E451-K454 WeakPolarHBondContact O-CB 3.47Å; E451-K454 PolarHBondContact O-N 2.84Å; E451-K454 IonicContact OE1-NZ 3.18Å; E451-K454 PolarHBondContact OE1-NZ 3.28Å; E451-K454 IonicContact OE2-NZ 3.14Å; F452-K454 PolarHBondContact O-N 3.44Å; K454-V456 PolarHBondContact O-N 3.19Å; K454-V456 VanDerWaalsContact O-N 3.08Å; K454-N457 PolarHBondContact O-N 2.87Å; K454-N457 VanDerWaalsContact O-N 3.09Å; K454-P460 HydrophobicContact CG-CG 3.85Å; K454-V681 HydrophobicContact CG-CG1 4.14Å; K454-G683 PolarHBondContact NZ-OXT 3.25Å
455	T	96	Very high	97	Very high	82 Å²	82	34.5 Å²	34.5	50%	0.503	17%	0.169	S	C	.	.	H	α-helix	trans	-61.8	-18.9	179.3	70.7	0	0	0	0	114.3	E451 F452 P453 K658	E451-T455 VanDerWaalsContact O-CG2 3.29Å; E451-T455 WeakPolarHBondContact O-CG2 3.26Å; E451-T455 PolarHBondContact O-N 3.08Å; F452-T455 WeakPolarHBondContact O-CB 3.34Å; F452-T455 PolarHBondContact O-N 3.27Å; F452-T455 PolarHBondContact O-OG1 2.76Å; P453-T455 VanDerWaalsContact C-N 3.27Å; P453-T455 PolarHBondContact O-N 2.92Å; T455-K658 WeakPolarHBondContact O-CE 3.41Å; T455-K658 PolarHBondContact O-NZ 2.87Å
456	V	95	Very high	97	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.024	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	26.3	178.8	-65.7	0	0	0	0	112.5	P453 K454 M458 R529 V650 P654 K658	P453-V456 VanDerWaalsContact O-CG2 3.26Å; P453-V456 WeakPolarHBondContact O-CG2 3.35Å; P453-V456 PolarHBondContact O-N 3.45Å; P453-V456 VanDerWaalsContact O-N 3.15Å; K454-V456 PolarHBondContact O-N 3.19Å; K454-V456 VanDerWaalsContact O-N 3.08Å; V456-M458 VanDerWaalsContact C-N 3.3Å; V456-M458 HydrophobicContact CG2-CB 4.19Å; V456-M458 HydrophobicContact CG2-CG 3.93Å; V456-M458 HydrophobicContact CG2-SD 3.78Å; V456-M458 PolarHBondContact O-N 2.82Å; V456-R529 PolarHBondContact O-NH2 3.21Å; V456-V650 HydrophobicContact CB-CG1 4Å; V456-V650 HydrophobicContact CG1-CG1 3.65Å; V456-V650 HydrophobicContact CG2-CG1 3.63Å; V456-P654 HydrophobicContact CG1-CB 4.48Å; V456-K658 HydrophobicContact CB-CG 4.21Å
457	N	94.1	Very high	97.1	Very high	72 Å²	72	26.8 Å²	26.8	39%	0.385	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	44.1	178.4	-57.3	-19.4	0	0	0	112.3	P453 K454 R529	P453-N457 PolarHBondContact O-N 3.19Å; K454-N457 PolarHBondContact O-N 2.87Å; K454-N457 VanDerWaalsContact O-N 3.09Å; N457-R529 PolarHBondContact O-NH1 3.26Å; N457-R529 PolarHBondContact O-NH2 3.17Å
458	M	95	Very high	97.1	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.115	C	C	.	.			trans	-118.2	134.8	178	-73.8	-177.9	174	0	0	109.8	P453 V456 P460 F463 L528 R529 M532 V650 A657	P453-M458 CarbonylContact C-O 3.41Å; P453-M458 VanDerWaalsContact C-O 3.29Å; P453-M458 HydrophobicContact CB-CB 3.97Å; P453-M458 WeakPolarHBondContact O-CB 3.28Å; P453-M458 PolarHBondContact O-N 3.41Å; V456-M458 VanDerWaalsContact C-N 3.3Å; V456-M458 HydrophobicContact CG2-CB 4.19Å; V456-M458 HydrophobicContact CG2-CG 3.93Å; V456-M458 HydrophobicContact CG2-SD 3.78Å; V456-M458 PolarHBondContact O-N 2.82Å; M458-P460 WeakPolarHBondContact O-CD 3.08Å; M458-F463 HydrophobicContact CB-CD2 4.5Å; M458-F463 HydrophobicContact SD-CD2 3.95Å; M458-F463 HydrophobicContact SD-CE2 4.09Å; M458-L528 HydrophobicContact CE-CD2 3.97Å; M458-L528 HydrophobicContact CE-CG 4.23Å; M458-L528 HydrophobicContact SD-CD2 4.41Å; M458-R529 VanDerWaalsContact CG-NH2 3.32Å; M458-M532 HydrophobicContact CB-CE 3.48Å; M458-M532 VanDerWaalsContact CB-CE 3.48Å; M458-M532 HydrophobicContact CB-SD 3.97Å; M458-M532 HydrophobicContact CE-SD 3.91Å; M458-M532 HydrophobicContact CG-CE 3.76Å; M458-M532 HydrophobicContact CG-SD 3.54Å; M458-M532 VanDerWaalsContact CG-SD 3.54Å; M458-M532 HydrophobicContact SD-CE 4.28Å; M458-M532 HydrophobicContact SD-SD 3.52Å; M458-V650 HydrophobicContact CE-CG2 4.14Å; M458-V650 HydrophobicContact SD-CG2 4.09Å; M458-A657 HydrophobicContact CE-CB 4.33Å
459	S	94.4	Very high	97.1	Very high	33 Å²	33	21.9 Å²	21.9	23%	0.231	11%	0.113	C	C	.	.			trans	-61.9	123.1	170.4	173.4	0	0	0	0	108.9	D461 S462 F463	S459-D461 PolarHBondContact O-N 2.82Å; S459-D461 PolarHBondContact OG-N 3.35Å; S459-S462 PolarHBondContact O-N 3.45Å; S459-S462 PolarHBondContact OG-N 2.9Å; S459-S462 PolarHBondContact OG-OG 2.93Å; S459-F463 WeakPolarHBondContact O-CB 3.42Å; S459-F463 PolarHBondContact O-N 2.92Å
460	P	96.7	Very high	97.2	Very high	17 Å²	17	21.9 Å²	21.9	11%	0.11	11%	0.112	C	C	.	.	H	α-helix	trans	-58.4	-34.5	176.3	-26.3	36.6	0	0	0	112.8	R450 P453 K454 M458 F463 I464	R450-P460 HydrophobicContact CB-CB 3.69Å; R450-P460 HydrophobicContact CB-CG 3.85Å; R450-P460 VanDerWaalsContact O-CG 3.28Å; R450-P460 WeakPolarHBondContact O-CG 3.11Å; P453-P460 HydrophobicContact CB-CG 4.41Å; K454-P460 HydrophobicContact CG-CG 3.85Å; M458-P460 WeakPolarHBondContact O-CD 3.08Å; P460-F463 WeakPolarHBondContact O-CB 3.41Å; P460-F463 PolarHBondContact O-N 3.06Å; P460-I464 VanDerWaalsContact O-CG1 3.31Å; P460-I464 WeakPolarHBondContact O-CG1 3.37Å; P460-I464 PolarHBondContact O-N 2.68Å
461	D	96.1	Very high	97.3	Very high	21 Å²	21	18.1 Å²	18.1	11%	0.112	10%	0.098	C	C	.	.	H	α-helix	trans	-68	-53	-179.6	-170.1	73.8	0	0	0	111.4	S459 F463 I464 Q465 Q587 Y610	S459-D461 PolarHBondContact O-N 2.82Å; S459-D461 PolarHBondContact OG-N 3.35Å; D461-F463 PolarHBondContact O-N 3.21Å; D461-I464 PolarHBondContact O-N 3.35Å; D461-Q465 WeakPolarHBondContact O-CG 3.47Å; D461-Q465 PolarHBondContact O-N 3.06Å; D461-Q587 PolarHBondContact OD1-NE2 3.17Å; D461-Q587 VanDerWaalsContact OD1-NE2 3.09Å; D461-Y610 PolarHBondContact OD1-OH 2.95Å
462	S	96.4	Very high	97.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.2	-31.4	175.6	-49.2	0	0	0	0	112.5	S459 L466	S459-S462 PolarHBondContact O-N 3.45Å; S459-S462 PolarHBondContact OG-N 2.9Å; S459-S462 PolarHBondContact OG-OG 2.93Å; S462-L466 WeakPolarHBondContact O-CG 3.34Å; S462-L466 PolarHBondContact O-N 3.17Å
463	F	98.2	Very high	97.3	Very high	1 Å²	1	13.3 Å²	13.3	0%	0.004	8%	0.076	C	C	.	.	H	α-helix	trans	-63.3	-46.1	173.6	-165.4	-77.5	0	0	0	111.2	Y448 F452 P453 M458 S459 P460 D461 L466 A467 M532 M646 V650	Y448-F463 HydrophobicContact CE2-CE1 4.34Å; Y448-F463 WeakPolarHBondContact OH-CE1 3.28Å; F452-F463 HydrophobicContact CE1-CE2 4.28Å; F452-F463 AromaticContact CE1-CZ 3.96Å; F452-F463 HydrophobicContact CE1-CZ 3.96Å; P453-F463 HydrophobicContact CB-CB 4.14Å; P453-F463 HydrophobicContact CB-CD2 3.99Å; P453-F463 HydrophobicContact CB-CG 4.11Å; P453-F463 HydrophobicContact CG-CB 4.04Å; P453-F463 HydrophobicContact CG-CD1 4.13Å; P453-F463 HydrophobicContact CG-CD2 3.98Å; P453-F463 HydrophobicContact CG-CE2 4.45Å; P453-F463 HydrophobicContact CG-CG 3.78Å; M458-F463 HydrophobicContact CB-CD2 4.5Å; M458-F463 HydrophobicContact SD-CD2 3.95Å; M458-F463 HydrophobicContact SD-CE2 4.09Å; S459-F463 WeakPolarHBondContact O-CB 3.42Å; S459-F463 PolarHBondContact O-N 2.92Å; P460-F463 WeakPolarHBondContact O-CB 3.41Å; P460-F463 PolarHBondContact O-N 3.06Å; D461-F463 PolarHBondContact O-N 3.21Å; F463-L466 PolarHBondContact O-N 2.89Å; F463-A467 PolarHBondContact O-N 3.09Å; F463-M532 HydrophobicContact CB-CE 4.27Å; F463-M646 HydrophobicContact CD1-CE 3.77Å; F463-M646 HydrophobicContact CD1-SD 4.36Å; F463-M646 HydrophobicContact CD2-CE 4.02Å; F463-M646 HydrophobicContact CE1-CB 3.73Å; F463-M646 HydrophobicContact CE1-CE 3.65Å; F463-M646 HydrophobicContact CE1-CG 4.48Å; F463-M646 HydrophobicContact CE1-SD 3.95Å; F463-M646 HydrophobicContact CE2-CB 4.34Å; F463-M646 HydrophobicContact CE2-CE 3.97Å; F463-M646 HydrophobicContact CG-CE 3.95Å; F463-M646 HydrophobicContact CZ-CB 3.43Å; F463-M646 VanDerWaalsContact CZ-CB 3.43Å; F463-M646 HydrophobicContact CZ-CE 3.81Å; F463-M646 HydrophobicContact CZ-CG 4.44Å; F463-M646 HydrophobicContact CZ-SD 4.38Å; F463-M646 WeakPolarHBondContact O-CE 3.13Å; F463-V650 HydrophobicContact CE2-CG2 4.28Å
464	I	98.7	Very high	97.4	Very high	3 Å²	3	14.3 Å²	14.3	2%	0.015	8%	0.08	C	C	.	.	H	α-helix	trans	-67.5	-40.7	177.9	-68.3	164.4	0	0	0	111.2	P460 D461 L466 A467 L468 Y610 P612 I617 F643	P460-I464 VanDerWaalsContact O-CG1 3.31Å; P460-I464 WeakPolarHBondContact O-CG1 3.37Å; P460-I464 PolarHBondContact O-N 2.68Å; D461-I464 PolarHBondContact O-N 3.35Å; I464-L466 VanDerWaalsContact C-N 3.34Å; I464-L466 PolarHBondContact O-N 2.83Å; I464-A467 WeakPolarHBondContact O-CA 3.37Å; I464-A467 WeakPolarHBondContact O-CB 3.34Å; I464-A467 PolarHBondContact O-N 3.11Å; I464-A467 VanDerWaalsContact O-N 3.11Å; I464-L468 HydrophobicContact CG2-CD1 4.19Å; I464-L468 HydrophobicContact CG2-CG 4.47Å; I464-L468 WeakPolarHBondContact O-CG 3.44Å; I464-L468 PolarHBondContact O-N 2.54Å; I464-Y610 HydrophobicContact CB-CD2 4.46Å; I464-Y610 HydrophobicContact CB-CE2 4.32Å; I464-Y610 HydrophobicContact CD1-CD2 4.02Å; I464-Y610 HydrophobicContact CD1-CE2 4.29Å; I464-Y610 HydrophobicContact CG2-CD1 4.33Å; I464-Y610 HydrophobicContact CG2-CD2 3.77Å; I464-Y610 HydrophobicContact CG2-CE1 4.47Å; I464-Y610 HydrophobicContact CG2-CE2 3.92Å; I464-Y610 HydrophobicContact CG2-CG 3.99Å; I464-P612 HydrophobicContact CD1-CB 3.63Å; I464-P612 HydrophobicContact CD1-CG 4.16Å; I464-I617 HydrophobicContact CD1-CD1 4.14Å; I464-I617 HydrophobicContact CD1-CG2 4.03Å; I464-I617 HydrophobicContact CG1-CD1 4.15Å; I464-F643 HydrophobicContact CB-CE1 4.41Å; I464-F643 HydrophobicContact CG1-CE1 3.98Å; I464-F643 HydrophobicContact CG1-CZ 4.34Å; I464-F643 HydrophobicContact CG2-CE1 4.36Å; I464-F643 HydrophobicContact CG2-CZ 4.26Å
465	Q	98.6	Very high	97.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.5	-44	176.8	-72.7	-68.6	-3.6	0	0	112.4	D461 L468 Q469 E484 A501 T585 Y610	D461-Q465 WeakPolarHBondContact O-CG 3.47Å; D461-Q465 PolarHBondContact O-N 3.06Å; Q465-L468 WeakPolarHBondContact O-CB 3.17Å; Q465-L468 PolarHBondContact O-N 3.2Å; Q465-Q469 WeakPolarHBondContact O-CG 3.1Å; Q465-Q469 PolarHBondContact O-N 2.67Å; Q465-E484 WeakPolarHBondContact CG-OE2 3.43Å; Q465-E484 VanDerWaalsContact NE2-CD 3.29Å; Q465-E484 PolarHBondContact NE2-OE2 2.77Å; Q465-A501 HydrophobicContact CB-CB 4.22Å; Q465-T585 PolarHBondContact NE2-OG1 3.47Å; Q465-T585 PolarHBondContact OE1-OG1 3.14Å; Q465-Y610 PolarHBondContact NE2-OH 2.93Å
466	L	98.8	Very high	97.6	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-67.1	-36.5	174.2	-69.1	177.7	0	0	0	112.1	S462 F463 I464 L468 Q469 L470 A506 W509 L528 A531 M532 M646	S462-L466 WeakPolarHBondContact O-CG 3.34Å; S462-L466 PolarHBondContact O-N 3.17Å; F463-L466 PolarHBondContact O-N 2.89Å; I464-L466 VanDerWaalsContact C-N 3.34Å; I464-L466 PolarHBondContact O-N 2.83Å; L466-L468 VanDerWaalsContact C-N 3.28Å; L466-L468 PolarHBondContact O-N 2.91Å; L466-Q469 PolarHBondContact O-N 2.76Å; L466-L470 PolarHBondContact O-N 3.16Å; L466-A506 HydrophobicContact CD2-CB 3.8Å; L466-W509 HydrophobicContact CB-CE3 4.39Å; L466-W509 HydrophobicContact CB-CH2 4.28Å; L466-W509 HydrophobicContact CB-CZ3 3.84Å; L466-W509 WeakPolarHBondContact O-CZ3 3.32Å; L466-L528 HydrophobicContact CD1-CD1 3.58Å; L466-A531 HydrophobicContact CD1-CB 3.84Å; L466-A531 HydrophobicContact CD2-CB 3.88Å; L466-M532 HydrophobicContact CD1-CB 4.44Å; L466-M532 HydrophobicContact CD1-CG 3.4Å; L466-M532 VanDerWaalsContact CD1-CG 3.4Å; L466-M646 HydrophobicContact CB-CE 4.13Å
467	A	98.9	Very high	97.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-59	-40.5	172.2	0	0	0	0	0	111.9	F463 I464 L470 A471 L639 A642 F643 M646	F463-A467 PolarHBondContact O-N 3.09Å; I464-A467 WeakPolarHBondContact O-CA 3.37Å; I464-A467 WeakPolarHBondContact O-CB 3.34Å; I464-A467 PolarHBondContact O-N 3.11Å; I464-A467 VanDerWaalsContact O-N 3.11Å; A467-L470 PolarHBondContact O-N 3.01Å; A467-A471 WeakPolarHBondContact O-CB 3.43Å; A467-A471 PolarHBondContact O-N 3.44Å; A467-L639 HydrophobicContact CB-CD1 3.86Å; A467-A642 HydrophobicContact CB-CB 4.36Å; A467-F643 HydrophobicContact CB-CD1 3.55Å; A467-F643 HydrophobicContact CB-CE1 3.4Å; A467-F643 VanDerWaalsContact CB-CE1 3.4Å; A467-F643 HydrophobicContact CB-CZ 4.35Å; A467-M646 VanDerWaalsContact CA-SD 3.56Å; A467-M646 HydrophobicContact CB-SD 3.52Å; A467-M646 VanDerWaalsContact CB-SD 3.52Å
468	L	98.9	Very high	97.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.5	-41.5	174.9	-68.5	166.9	0	0	0	111.9	I464 Q465 L466 A471 H472 L583 T585 A608 Y610 F635 L639	I464-L468 HydrophobicContact CG2-CD1 4.19Å; I464-L468 HydrophobicContact CG2-CG 4.47Å; I464-L468 WeakPolarHBondContact O-CG 3.44Å; I464-L468 PolarHBondContact O-N 2.54Å; Q465-L468 WeakPolarHBondContact O-CB 3.17Å; Q465-L468 PolarHBondContact O-N 3.2Å; L466-L468 VanDerWaalsContact C-N 3.28Å; L466-L468 PolarHBondContact O-N 2.91Å; L468-A471 PolarHBondContact O-N 2.89Å; L468-H472 PolarHBondContact O-N 2.87Å; L468-L583 HydrophobicContact CB-CD2 4.23Å; L468-T585 HydrophobicContact CD1-CG2 3.81Å; L468-A608 HydrophobicContact CD1-CB 4.5Å; L468-A608 HydrophobicContact CD2-CB 4.1Å; L468-Y610 HydrophobicContact CD1-CD1 4.38Å; L468-Y610 HydrophobicContact CD1-CE1 4.3Å; L468-F635 HydrophobicContact CD2-CE1 4.01Å; L468-L639 HydrophobicContact CD2-CD1 3.92Å; L468-L639 HydrophobicContact CD2-CD2 3.67Å; L468-L639 HydrophobicContact CD2-CG 4.45Å; L468-L639 HydrophobicContact CG-CD1 4.27Å
469	Q	98.9	Very high	98	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.1	-42.6	173.4	-60.9	-50.4	-58.1	0	0	111.6	Q465 L466 H472 Y473 L479 T482 A506	Q465-Q469 WeakPolarHBondContact O-CG 3.1Å; Q465-Q469 PolarHBondContact O-N 2.67Å; L466-Q469 PolarHBondContact O-N 2.76Å; Q469-H472 PolarHBondContact O-N 2.79Å; Q469-Y473 WeakPolarHBondContact O-CB 3.14Å; Q469-Y473 PolarHBondContact O-N 2.96Å; Q469-L479 HydrophobicContact CB-CD2 4.02Å; Q469-L479 VanDerWaalsContact O-CD2 3.31Å; Q469-L479 WeakPolarHBondContact O-CD2 3.46Å; Q469-T482 PolarHBondContact NE2-OG1 3.42Å; Q469-A506 HydrophobicContact CG-CB 4.44Å
470	L	98.9	Very high	98.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-66.1	-41.2	177.7	-179.1	58.7	0	0	0	111.7	L466 A467 Y473 K474 W509 M513 T514 A642 M646	L466-L470 PolarHBondContact O-N 3.16Å; A467-L470 PolarHBondContact O-N 3.01Å; L470-Y473 PolarHBondContact O-N 3Å; L470-K474 HydrophobicContact CD1-CD 4.48Å; L470-K474 HydrophobicContact CD1-CG 4.21Å; L470-K474 HydrophobicContact CG-CD 4.26Å; L470-K474 HydrophobicContact CG-CG 4.44Å; L470-K474 WeakPolarHBondContact O-CB 3.41Å; L470-K474 VanDerWaalsContact O-CG 3.31Å; L470-K474 WeakPolarHBondContact O-CG 3.29Å; L470-K474 PolarHBondContact O-N 3.36Å; L470-W509 HydrophobicContact CB-CH2 3.9Å; L470-W509 HydrophobicContact CB-CZ3 3.72Å; L470-W509 HydrophobicContact CD2-CH2 3.69Å; L470-W509 HydrophobicContact CD2-CZ2 4.23Å; L470-W509 HydrophobicContact CD2-CZ3 4.29Å; L470-W509 HydrophobicContact CG-CH2 4.33Å; L470-W509 HydrophobicContact CG-CZ3 4.46Å; L470-M513 HydrophobicContact CD1-CB 3.65Å; L470-M513 HydrophobicContact CD1-CG 4.36Å; L470-M513 HydrophobicContact CD2-CB 4.25Å; L470-M513 HydrophobicContact CD2-CE 4.11Å; L470-M513 HydrophobicContact CD2-CG 4.28Å; L470-T514 HydrophobicContact CD1-CG2 4.13Å; L470-A642 HydrophobicContact CB-CB 4.17Å; L470-A642 HydrophobicContact CD2-CB 3.86Å; L470-A642 HydrophobicContact CG-CB 4.04Å; L470-M646 HydrophobicContact CD2-CG 4.44Å
471	A	98.9	Very high	98.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.2	-48.1	176.2	0	0	0	0	0	111.3	A467 L468 Y473 K474 L475 F635 M638 L639	A467-A471 WeakPolarHBondContact O-CB 3.43Å; A467-A471 PolarHBondContact O-N 3.44Å; L468-A471 PolarHBondContact O-N 2.89Å; A471-Y473 PolarHBondContact O-N 2.93Å; A471-K474 PolarHBondContact O-N 2.87Å; A471-L475 PolarHBondContact O-N 3.28Å; A471-L475 VanDerWaalsContact O-N 3.09Å; A471-F635 HydrophobicContact CB-CE1 4.12Å; A471-F635 HydrophobicContact CB-CZ 4.05Å; A471-M638 HydrophobicContact CB-CB 4.05Å; A471-L639 HydrophobicContact CB-CB 3.91Å; A471-L639 HydrophobicContact CB-CD1 4.1Å
472	H	98.7	Very high	98.4	Very high	5 Å²	5	17.6 Å²	17.6	2%	0.023	8%	0.078	C	C	.	.	H	α-helix	trans	-60.7	-45	175.9	-168.2	-74	0	0	0	111.5	L468 Q469 K474 L475 H476 Y478 V480 F635	L468-H472 PolarHBondContact O-N 2.87Å; Q469-H472 PolarHBondContact O-N 2.79Å; H472-K474 PolarHBondContact O-N 3.31Å; H472-L475 PolarHBondContact O-N 3.33Å; H472-H476 AromaticContact CD2-CD2 3.79Å; H472-H476 AromaticContact CE1-CD2 3.57Å; H472-H476 AromaticContact CE1-CG 3.92Å; H472-H476 AromaticContact ND1-CD2 3.91Å; H472-H476 AromaticContact NE2-CD2 3.49Å; H472-H476 PolarHBondContact NE2-CD2 3.01Å; H472-H476 WeakPolarHBondContact O-CB 3.21Å; H472-H476 PolarHBondContact O-N 3.49Å; H472-Y478 AromaticContact CE1-CE2 3.97Å; H472-Y478 PolarHBondContact CE1-O 2.8Å; H472-Y478 PolarHBondContact ND1-O 3.3Å; H472-V480 WeakPolarHBondContact CE1-CG1 3.44Å; H472-F635 HydrophobicContact CB-CE2 3.89Å; H472-F635 HydrophobicContact CB-CZ 4.33Å
473	Y	98.8	Very high	98.4	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.016	8%	0.082	C	C	.	.	H	α-helix	trans	-65.7	-38.4	179.1	-161.5	-91.4	0	0	0	112.7	Q469 L470 A471 L475 K477 L479 L507 C510 K511 T514 Q516	Q469-Y473 WeakPolarHBondContact O-CB 3.14Å; Q469-Y473 PolarHBondContact O-N 2.96Å; L470-Y473 PolarHBondContact O-N 3Å; A471-Y473 PolarHBondContact O-N 2.93Å; Y473-L475 VanDerWaalsContact C-N 3.34Å; Y473-L475 PolarHBondContact O-N 3.2Å; Y473-K477 WeakPolarHBondContact CE2-O 3.46Å; Y473-K477 WeakPolarHBondContact O-CA 3.32Å; Y473-K477 PolarHBondContact O-N 3.2Å; Y473-L479 HydrophobicContact CD2-CD2 3.96Å; Y473-L479 HydrophobicContact CD2-CG 4.12Å; Y473-L479 HydrophobicContact CG-CD2 4.44Å; Y473-L507 HydrophobicContact CD2-CD1 4.08Å; Y473-L507 HydrophobicContact CE2-CD1 3.51Å; Y473-C510 HydrophobicContact CD1-CB 3.97Å; Y473-C510 HydrophobicContact CD2-CB 4.04Å; Y473-C510 HydrophobicContact CG-CB 3.67Å; Y473-K511 HydrophobicContact CE1-CG 4.35Å; Y473-K511 HydrophobicContact CE2-CG 4.48Å; Y473-K511 VanDerWaalsContact OH-CG 3.22Å; Y473-K511 WeakPolarHBondContact OH-CG 3.34Å; Y473-T514 HydrophobicContact CD1-CG2 3.84Å; Y473-T514 HydrophobicContact CE1-CG2 4.37Å; Y473-T514 WeakPolarHBondContact CE1-OG1 3.18Å; Y473-Q516 PolarHBondContact OH-OE1 2.94Å
474	K	98.6	Very high	98.4	Very high	24 Å²	24	18.8 Å²	18.8	10%	0.104	8%	0.083	C	C	.	.	H	α-helix	trans	-61.3	-44.5	175.6	-81.5	177.6	166.2	-178.3	0	111.6	L470 A471 H472 K477 T514 M638 S641 E645	L470-K474 HydrophobicContact CD1-CD 4.48Å; L470-K474 HydrophobicContact CD1-CG 4.21Å; L470-K474 HydrophobicContact CG-CD 4.26Å; L470-K474 HydrophobicContact CG-CG 4.44Å; L470-K474 WeakPolarHBondContact O-CB 3.41Å; L470-K474 VanDerWaalsContact O-CG 3.31Å; L470-K474 WeakPolarHBondContact O-CG 3.29Å; L470-K474 PolarHBondContact O-N 3.36Å; A471-K474 PolarHBondContact O-N 2.87Å; H472-K474 PolarHBondContact O-N 3.31Å; K474-K477 WeakPolarHBondContact O-CE 3.19Å; K474-K477 PolarHBondContact O-NZ 3.41Å; K474-T514 HydrophobicContact CG-CG2 3.86Å; K474-M638 HydrophobicContact CB-CB 4.26Å; K474-M638 HydrophobicContact CB-CG 4.11Å; K474-M638 HydrophobicContact CB-SD 3.78Å; K474-M638 HydrophobicContact CD-SD 4.31Å; K474-S641 PolarHBondContact NZ-OG 2.74Å; K474-E645 VanDerWaalsContact CE-OE2 3.32Å; K474-E645 WeakPolarHBondContact CE-OE2 3.47Å; K474-E645 IonicContact NZ-OE1 3.77Å; K474-E645 PolarHBondContact NZ-OE1 3.44Å; K474-E645 IonicContact NZ-OE2 2.83Å; K474-E645 PolarHBondContact NZ-OE2 3.27Å
475	L	98.3	Very high	98.1	Very high	50 Å²	50	20.3 Å²	20.3	26%	0.262	9%	0.094	S	C	.	.	H	α-helix	trans	-73.7	-46.6	-177.7	-170.1	54.7	0	0	0	112.2	A471 H472 Y473 K634 F635 M638	A471-L475 PolarHBondContact O-N 3.28Å; A471-L475 VanDerWaalsContact O-N 3.09Å; H472-L475 PolarHBondContact O-N 3.33Å; Y473-L475 VanDerWaalsContact C-N 3.34Å; Y473-L475 PolarHBondContact O-N 3.2Å; L475-K634 HydrophobicContact CD1-CB 4.12Å; L475-K634 HydrophobicContact CD2-CB 4.43Å; L475-F635 HydrophobicContact CD2-CB 4.19Å; L475-F635 HydrophobicContact CD2-CD2 4.12Å; L475-M638 HydrophobicContact CB-CG 4.07Å; L475-M638 HydrophobicContact CD1-CG 4.47Å
476	H	98	Very high	97.9	Very high	34 Å²	34	20.4 Å²	20.4	16%	0.157	10%	0.095	C	C	.	.	H	α-helix	trans	-110.4	-14.1	-166.9	-63.1	-60.5	0	0	0	114.9	H472 Y478 Y606 N629	H472-H476 AromaticContact CD2-CD2 3.79Å; H472-H476 AromaticContact CE1-CD2 3.57Å; H472-H476 AromaticContact CE1-CG 3.92Å; H472-H476 AromaticContact ND1-CD2 3.91Å; H472-H476 AromaticContact NE2-CD2 3.49Å; H472-H476 PolarHBondContact NE2-CD2 3.01Å; H472-H476 WeakPolarHBondContact O-CB 3.21Å; H472-H476 PolarHBondContact O-N 3.49Å; H476-Y478 HydrophobicContact CB-CD1 4Å; H476-Y478 HydrophobicContact CB-CE1 3.63Å; H476-Y478 WeakPolarHBondContact O-CD1 3.48Å; H476-Y478 WeakPolarHBondContact O-CE1 3.39Å; H476-Y478 PolarHBondContact O-N 3.21Å; H476-Y606 PolarHBondContact CE1-OH 3.4Å; H476-Y606 AromaticContact NE2-CE2 3.47Å; H476-Y606 WeakPolarHBondContact NE2-CE2 3.18Å; H476-Y606 AromaticContact NE2-CZ 3.62Å; H476-Y606 PolarHBondContact NE2-OH 3.05Å; H476-N629 PolarHBondContact CE1-O 3.21Å; H476-N629 VanDerWaalsContact CE1-O 3.31Å
477	K	97.5	Very high	97.7	Very high	129 Å²	129	22.4 Å²	22.4	56%	0.561	11%	0.108	S	C	*	.	S	Bend	trans	67.4	15.3	-177.5	-45.9	-54.4	-177	-163.4	0	115.6	Y473 K474	Y473-K477 WeakPolarHBondContact CE2-O 3.46Å; Y473-K477 WeakPolarHBondContact O-CA 3.32Å; Y473-K477 PolarHBondContact O-N 3.2Å; K474-K477 WeakPolarHBondContact O-CE 3.19Å; K474-K477 PolarHBondContact O-NZ 3.41Å
478	Y	97.3	Very high	97.6	Very high	106 Å²	106	22.5 Å²	22.5	42%	0.416	11%	0.109	S	C	.	.	S	Bend	trans	-147.5	163.3	171.7	60.8	-86.2	0	0	0	110.5	H472 H476 V480	H472-Y478 AromaticContact CE1-CE2 3.97Å; H472-Y478 PolarHBondContact CE1-O 2.8Å; H472-Y478 PolarHBondContact ND1-O 3.3Å; H476-Y478 HydrophobicContact CB-CD1 4Å; H476-Y478 HydrophobicContact CB-CE1 3.63Å; H476-Y478 WeakPolarHBondContact O-CD1 3.48Å; H476-Y478 WeakPolarHBondContact O-CE1 3.39Å; H476-Y478 PolarHBondContact O-N 3.21Å; Y478-V480 HydrophobicContact CD2-CG1 3.81Å; Y478-V480 HydrophobicContact CE2-CG1 3.46Å; Y478-V480 VanDerWaalsContact CE2-CG1 3.46Å
479	L	98.2	Very high	97.4	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.021	11%	0.11	C	C	.	.			trans	-98.3	161.4	170.6	-62.1	-171.8	0	0	0	110.6	Q469 Y473 C502 A506 L507	Q469-L479 HydrophobicContact CB-CD2 4.02Å; Q469-L479 VanDerWaalsContact O-CD2 3.31Å; Q469-L479 WeakPolarHBondContact O-CD2 3.46Å; Y473-L479 HydrophobicContact CD2-CD2 3.96Å; Y473-L479 HydrophobicContact CD2-CG 4.12Å; Y473-L479 HydrophobicContact CG-CD2 4.44Å; L479-C502 VanDerWaalsContact CB-SG 3.5Å; L479-A506 HydrophobicContact CD1-CB 4.24Å; L479-L507 HydrophobicContact CD1-CB 3.84Å; L479-L507 HydrophobicContact CD1-CD1 4.22Å; L479-L507 HydrophobicContact CG-CD1 4.03Å
480	V	98.3	Very high	97.2	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.012	11%	0.112	C	C	.	.			trans	-131.8	159.6	-175.2	-69.8	0	0	0	0	111.7	H472 Y478 T482 C502 R582 L583	H472-V480 WeakPolarHBondContact CE1-CG1 3.44Å; Y478-V480 HydrophobicContact CD2-CG1 3.81Å; Y478-V480 HydrophobicContact CE2-CG1 3.46Å; Y478-V480 VanDerWaalsContact CE2-CG1 3.46Å; V480-T482 PolarHBondContact O-N 3.5Å; V480-T482 PolarHBondContact O-OG1 3.32Å; V480-T482 VanDerWaalsContact O-OG1 3.09Å; V480-C502 WeakPolarHBondContact O-CB 3.43Å; V480-C502 PolarHBondContact O-SG 3.47Å; V480-C502 VanDerWaalsContact O-SG 3.38Å; V480-R582 HydrophobicContact CB-CB 3.88Å; V480-R582 HydrophobicContact CG1-CB 4.17Å; V480-R582 HydrophobicContact CG2-CB 3.96Å; V480-L583 HydrophobicContact CG2-CB 3.83Å
481	P	98.3	Very high	97	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.032	11%	0.114	C	C	.	.			trans	-54.1	118.7	172	-21.5	31.1	0	0	0	109.8	V51 E577 R580 F581 R582 L583	V51-P481 HydrophobicContact CB-CG 4.42Å; V51-P481 HydrophobicContact CG1-CG 4.25Å; V51-P481 HydrophobicContact CG2-CG 4.32Å; P481-E577 WeakPolarHBondContact CG-O 3.43Å; P481-R580 WeakPolarHBondContact CB-O 3.45Å; P481-F581 CarbonylContact O-C 3.51Å; P481-F581 WeakPolarHBondContact O-CA 3.17Å; P481-R582 PolarHBondContact O-N 3.24Å; P481-L583 PolarHBondContact O-N 3.04Å
482	T	98.5	Very high	97	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.6	-176.4	-57.3	0	0	0	0	110	Q469 V480 R500 A501 L583 T585	Q469-T482 PolarHBondContact NE2-OG1 3.42Å; V480-T482 PolarHBondContact O-N 3.5Å; V480-T482 PolarHBondContact O-OG1 3.32Å; V480-T482 VanDerWaalsContact O-OG1 3.09Å; T482-R500 WeakPolarHBondContact O-CD 3.45Å; T482-A501 HydrophobicContact CG2-CB 3.9Å; T482-L583 CarbonylContact C-O 3.55Å; T482-L583 VanDerWaalsContact CA-O 3.26Å; T482-L583 WeakPolarHBondContact CA-O 3.39Å; T482-L583 HydrophobicContact CG2-CB 4.22Å; T482-L583 HydrophobicContact CG2-CD2 4.07Å; T482-L583 HydrophobicContact CG2-CG 4.04Å; T482-T585 HydrophobicContact CG2-CG2 4.03Å
483	Y	97.6	Very high	96.8	Very high	22 Å²	22	27 Å²	27	9%	0.086	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	129.6	166.4	171.8	-82.5	0	0	0	108.9	S485 N498 F581 L583 T585	Y483-S485 WeakPolarHBondContact CE1-OG 3.29Å; Y483-S485 PolarHBondContact OH-OG 3.25Å; Y483-S485 VanDerWaalsContact OH-OG 3.13Å; Y483-N498 HydrophobicContact CD2-CB 4.39Å; Y483-N498 WeakPolarHBondContact CD2-OD1 3.2Å; Y483-N498 WeakPolarHBondContact CE2-OD1 3.48Å; Y483-F581 VanDerWaalsContact CB-CD1 3.49Å; Y483-F581 HydrophobicContact CD2-CD2 4.37Å; Y483-F581 HydrophobicContact CD2-CE1 4.43Å; Y483-F581 HydrophobicContact CD2-CE2 4.25Å; Y483-F581 HydrophobicContact CD2-CZ 4.29Å; Y483-F581 HydrophobicContact CG-CG 4.5Å; Y483-L583 PolarHBondContact N-O 3.42Å; Y483-T585 WeakPolarHBondContact O-CB 3.26Å; Y483-T585 PolarHBondContact O-N 2.93Å; Y483-T585 PolarHBondContact O-OG1 3.2Å
484	E	97.2	Very high	96.7	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.019	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	128.1	166.1	167.3	-170.7	156.8	0	0	107.6	Q465 A486 I499 Q535	Q465-E484 WeakPolarHBondContact CG-OE2 3.43Å; Q465-E484 VanDerWaalsContact NE2-CD 3.29Å; Q465-E484 PolarHBondContact NE2-OE2 2.77Å; E484-A486 PolarHBondContact O-N 2.99Å; E484-I499 HydrophobicContact CB-CB 4.01Å; E484-I499 WeakPolarHBondContact CB-O 3.46Å; E484-I499 HydrophobicContact CG-CB 3.95Å; E484-I499 HydrophobicContact CG-CD1 4.14Å; E484-I499 HydrophobicContact CG-CG1 4.44Å; E484-I499 PolarHBondContact N-O 2.91Å; E484-I499 PolarHBondContact O-N 2.97Å; E484-I499 VanDerWaalsContact OE1-CD1 3.22Å; E484-I499 WeakPolarHBondContact OE1-CD1 3.29Å; E484-Q535 PolarHBondContact OE2-NE2 3.09Å
485	S	93.8	Very high	96.5	Very high	36 Å²	36	26.2 Å²	26.2	25%	0.252	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	117.2	-176.5	-53.3	0	0	0	0	112.1	Y483 S586	Y483-S485 WeakPolarHBondContact CE1-OG 3.29Å; Y483-S485 PolarHBondContact OH-OG 3.25Å; Y483-S485 VanDerWaalsContact OH-OG 3.13Å; S485-S586 PolarHBondContact OG-OG 2.88Å
486	A	94.3	Very high	96.4	Very high	2 Å²	2	24 Å²	24	2%	0.017	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	114	164.1	0	0	0	0	0	110.6	E484 T488 V496 D497 I499 T542 I543	E484-A486 PolarHBondContact O-N 2.99Å; A486-T488 PolarHBondContact O-N 3.31Å; A486-V496 CarbonylContact O-C 3.57Å; A486-V496 WeakPolarHBondContact O-CA 3.29Å; A486-V496 WeakPolarHBondContact O-CB 3.47Å; A486-D497 WeakPolarHBondContact CB-O 3.47Å; A486-D497 PolarHBondContact N-O 3.46Å; A486-D497 PolarHBondContact O-N 3.31Å; A486-I499 HydrophobicContact CB-CD1 3.77Å; A486-I499 HydrophobicContact CB-CG1 3.48Å; A486-I499 VanDerWaalsContact CB-CG1 3.48Å; A486-T542 HydrophobicContact CB-CG2 3.43Å; A486-T542 VanDerWaalsContact CB-CG2 3.43Å; A486-I543 HydrophobicContact CB-CG2 3.89Å
487	S	94.4	Very high	96.4	Very high	42 Å²	42	22.6 Å²	22.6	29%	0.294	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	123.1	173.9	-169.6	0	0	0	0	111.4	R489	S487-R489 WeakPolarHBondContact OG-CD 3.12Å; S487-R489 VanDerWaalsContact OG-CG 3.29Å; S487-R489 WeakPolarHBondContact OG-CG 3.35Å; S487-R489 PolarHBondContact OG-N 3.47Å
488	T	95.4	Very high	96.3	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.012	9%	0.087	C	C	.	.			trans	-100.9	15	174.1	52.3	0	0	0	0	112	A486 R490 F491 A494 R495 D497	A486-T488 PolarHBondContact O-N 3.31Å; T488-R490 PolarHBondContact O-N 3.37Å; T488-F491 VanDerWaalsContact O-CD2 3.29Å; T488-F491 WeakPolarHBondContact O-CD2 3.18Å; T488-F491 PolarHBondContact O-N 2.92Å; T488-A494 WeakPolarHBondContact O-CB 3.38Å; T488-R495 PolarHBondContact N-O 2.89Å; T488-R495 VanDerWaalsContact N-O 3.13Å; T488-R495 PolarHBondContact OG1-O 2.92Å; T488-D497 HydrophobicContact CG2-CB 3.91Å
489	R	95.3	Very high	96.3	Very high	5 Å²	5	11.9 Å²	11.9	2%	0.019	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-8.9	-179.8	-71.9	174.9	60.6	-147.1	-14.9	114.7	D155 F166 C167 M168 Y171 S487 F491	D155-R489 IonicContact OD2-CZ 3.8Å; D155-R489 VanDerWaalsContact OD2-CZ 3.3Å; D155-R489 IonicContact OD2-NH1 2.71Å; D155-R489 PolarHBondContact OD2-NH1 3.43Å; D155-R489 IonicContact OD2-NH2 3.33Å; D155-R489 PolarHBondContact OD2-NH2 3.45Å; F166-R489 CarbonylContact C-O 3.29Å; F166-R489 WeakPolarHBondContact CA-O 3.44Å; F166-R489 HydrophobicContact CB-CB 4.07Å; F166-R489 HydrophobicContact CD2-CB 4.49Å; F166-R489 HydrophobicContact CG-CB 4.35Å; C167-R489 HydrophobicContact CB-CB 4.42Å; C167-R489 WeakPolarHBondContact CB-O 3.49Å; C167-R489 PolarHBondContact N-O 2.85Å; C167-R489 VanDerWaalsContact O-CZ 3.24Å; C167-R489 PolarHBondContact O-NE 2.89Å; C167-R489 PolarHBondContact O-NH2 3.17Å; M168-R489 PolarHBondContact SD-NH2 3.36Å; M168-R489 VanDerWaalsContact SD-NH2 3.39Å; Y171-R489 VanDerWaalsContact CE2-NH2 3.29Å; S487-R489 WeakPolarHBondContact OG-CD 3.12Å; S487-R489 VanDerWaalsContact OG-CG 3.29Å; S487-R489 WeakPolarHBondContact OG-CG 3.35Å; S487-R489 PolarHBondContact OG-N 3.47Å; R489-F491 PolarHBondContact O-N 3.18Å; R489-F491 VanDerWaalsContact O-N 3.16Å
490	R	94.1	Very high	96.1	Very high	9 Å²	9	12.5 Å²	12.5	3%	0.034	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-23.5	166.5	-48.7	-176.8	66	-102.2	17.7	112.4	P30 S160 Q164 F166 T488 I543	P30-R490 WeakPolarHBondContact CG-O 3.38Å; S160-R490 PolarHBondContact O-NH2 3.2Å; Q164-R490 PolarHBondContact NE2-O 3.21Å; F166-R490 HydrophobicContact CD1-CB 4.43Å; F166-R490 HydrophobicContact CD1-CG 3.94Å; F166-R490 HydrophobicContact CE1-CB 4.38Å; F166-R490 HydrophobicContact CE1-CG 3.49Å; F166-R490 VanDerWaalsContact CE1-CG 3.49Å; F166-R490 HydrophobicContact CZ-CG 4.1Å; T488-R490 PolarHBondContact O-N 3.37Å; R490-I543 WeakPolarHBondContact CD-O 3.31Å
491	F	96.3	Very high	95.9	Very high	14 Å²	14	12.4 Å²	12.4	6%	0.061	7%	0.07	C	C	.	.	S	Bend	trans	-105.2	151.3	177.5	-54.4	-75.3	0	0	0	111.6	P30 R31 L32 P33 T488 R489 L493 A494 L544	P30-F491 HydrophobicContact CB-CD1 4.09Å; P30-F491 HydrophobicContact CB-CE1 4.41Å; P30-F491 HydrophobicContact CG-CD1 3.89Å; P30-F491 HydrophobicContact CG-CE1 4.25Å; P30-F491 CarbonylContact O-C 3.47Å; P30-F491 VanDerWaalsContact O-CA 3.23Å; P30-F491 WeakPolarHBondContact O-CA 3.43Å; R31-F491 WeakPolarHBondContact O-CD1 3.19Å; L32-F491 HydrophobicContact CB-CB 4.14Å; L32-F491 HydrophobicContact CB-CG 4.24Å; L32-F491 HydrophobicContact CD1-CB 4.33Å; L32-F491 HydrophobicContact CD1-CD2 3.41Å; L32-F491 VanDerWaalsContact CD1-CD2 3.41Å; L32-F491 HydrophobicContact CD1-CE2 3.84Å; L32-F491 HydrophobicContact CD1-CG 3.87Å; P33-F491 HydrophobicContact CG-CZ 4.46Å; T488-F491 VanDerWaalsContact O-CD2 3.29Å; T488-F491 WeakPolarHBondContact O-CD2 3.18Å; T488-F491 PolarHBondContact O-N 2.92Å; R489-F491 PolarHBondContact O-N 3.18Å; R489-F491 VanDerWaalsContact O-N 3.16Å; F491-L493 PolarHBondContact O-N 2.97Å; F491-A494 HydrophobicContact CB-CB 3.97Å; F491-A494 WeakPolarHBondContact O-CB 3.49Å; F491-A494 PolarHBondContact O-N 2.97Å; F491-L544 WeakPolarHBondContact CZ-O 3.44Å
492	A	97.3	Very high	95.9	Very high	14 Å²	14	12.4 Å²	12.4	12%	0.116	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	134.3	178.3	0	0	0	0	0	111.2	L29 P30 I89 N90 A494	L29-A492 HydrophobicContact CB-CB 4.04Å; P30-A492 PolarHBondContact O-N 3.16Å; I89-A492 HydrophobicContact CG2-CB 3.53Å; N90-A492 WeakPolarHBondContact CB-O 3.37Å; N90-A492 PolarHBondContact ND2-O 2.67Å; A492-A494 PolarHBondContact O-N 3.36Å
493	L	96.3	Very high	95.8	Very high	58 Å²	58	12.4 Å²	12.4	30%	0.304	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	7.1	178.7	-54.9	-177.7	0	0	0	116.7	I89 N90 T93 C167 E169 F491	I89-L493 HydrophobicContact CB-CD1 4.03Å; I89-L493 HydrophobicContact CD1-CD1 4.18Å; I89-L493 HydrophobicContact CG2-CD1 3.84Å; I89-L493 HydrophobicContact CG2-CG 3.99Å; N90-L493 HydrophobicContact CB-CB 4.14Å; T93-L493 PolarHBondContact OG1-O 3.3Å; C167-L493 PolarHBondContact SG-N 2.74Å; C167-L493 VanDerWaalsContact SG-N 3.43Å; E169-L493 HydrophobicContact CB-CD2 4.35Å; E169-L493 HydrophobicContact CG-CD2 3.88Å; F491-L493 PolarHBondContact O-N 2.97Å
494	A	95.6	Very high	95.7	Very high	2 Å²	2	14.7 Å²	14.7	2%	0.017	8%	0.082	C	C	.	.			trans	-72.7	150.6	-174.9	0	0	0	0	0	113	N90 T488 F491 A492	N90-A494 WeakPolarHBondContact ND2-CA 3.37Å; N90-A494 WeakPolarHBondContact ND2-CB 3.34Å; T488-A494 WeakPolarHBondContact O-CB 3.38Å; F491-A494 HydrophobicContact CB-CB 3.97Å; F491-A494 WeakPolarHBondContact O-CB 3.49Å; F491-A494 PolarHBondContact O-N 2.97Å; A492-A494 PolarHBondContact O-N 3.36Å
495	R	95.5	Very high	95.6	Very high	10 Å²	10	15 Å²	15	4%	0.038	8%	0.084	C	C	.	.			trans	-104.7	-105.2	177.8	-67.2	-65.2	-58.1	-114.4	-14.4	110.2	T93 W96 H370 S371 V372 E374 T488	T93-R495 HydrophobicContact CG2-CG 4.22Å; W96-R495 HydrophobicContact CD2-CB 4.29Å; W96-R495 HydrophobicContact CE3-CB 3.79Å; W96-R495 HydrophobicContact CE3-CG 3.82Å; W96-R495 HydrophobicContact CH2-CB 3.78Å; W96-R495 HydrophobicContact CH2-CG 4.21Å; W96-R495 HydrophobicContact CZ2-CB 4.34Å; W96-R495 HydrophobicContact CZ3-CB 3.51Å; W96-R495 HydrophobicContact CZ3-CG 3.51Å; H370-R495 PolarHBondContact O-NH2 2.86Å; S371-R495 PolarHBondContact O-NH1 3.25Å; V372-R495 PolarHBondContact O-NH1 2.78Å; E374-R495 IonicContact OE1-CZ 2.96Å; E374-R495 IonicContact OE1-NE 2.58Å; E374-R495 PolarHBondContact OE1-NE 2.91Å; E374-R495 IonicContact OE1-NH2 2.85Å; E374-R495 PolarHBondContact OE1-NH2 3.34Å; T488-R495 PolarHBondContact N-O 2.89Å; T488-R495 VanDerWaalsContact N-O 3.13Å; T488-R495 PolarHBondContact OG1-O 2.92Å
496	V	96.1	Very high	95.8	Very high	4 Å²	4	13.3 Å²	13.3	2%	0.024	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	164.2	179.4	-63.1	0	0	0	0	110.3	W96 E374 A486 N550	W96-V496 HydrophobicContact CH2-CG2 3.85Å; W96-V496 HydrophobicContact CZ2-CG2 3.16Å; E374-V496 VanDerWaalsContact CD-CG1 3.48Å; E374-V496 HydrophobicContact CG-CG1 3.66Å; A486-V496 CarbonylContact O-C 3.57Å; A486-V496 WeakPolarHBondContact O-CA 3.29Å; A486-V496 WeakPolarHBondContact O-CB 3.47Å; V496-N550 PolarHBondContact O-ND2 2.89Å; V496-N550 VanDerWaalsContact O-ND2 3.16Å
497	D	97	Very high	96	Very high	3 Å²	3	14 Å²	14	2%	0.016	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	177.8	164.1	-159.4	-20.7	0	0	0	106.7	A486 T488 T542 G547 N550	A486-D497 WeakPolarHBondContact CB-O 3.47Å; A486-D497 PolarHBondContact N-O 3.46Å; A486-D497 PolarHBondContact O-N 3.31Å; T488-D497 HydrophobicContact CG2-CB 3.91Å; D497-T542 HydrophobicContact CB-CG2 3.53Å; D497-G547 WeakPolarHBondContact OD2-CA 3.42Å; D497-N550 VanDerWaalsContact CB-ND2 3.3Å; D497-N550 WeakPolarHBondContact CB-ND2 3.46Å; D497-N550 WeakPolarHBondContact OD2-CB 3.49Å; D497-N550 PolarHBondContact OD2-ND2 3.38Å
498	N	96.5	Very high	96.2	Very high	5 Å²	5	15.6 Å²	15.6	3%	0.027	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.3	-165.9	-54.3	-26.2	0	0	0	111.3	Y483 T542 D549 F581	Y483-N498 HydrophobicContact CD2-CB 4.39Å; Y483-N498 WeakPolarHBondContact CD2-OD1 3.2Å; Y483-N498 WeakPolarHBondContact CE2-OD1 3.48Å; N498-T542 PolarHBondContact O-OG1 2.86Å; N498-D549 HydrophobicContact CB-CB 4.29Å; N498-D549 WeakPolarHBondContact ND2-CB 3.32Å; N498-D549 PolarHBondContact ND2-OD1 3Å; N498-F581 VanDerWaalsContact ND2-CZ 3.28Å; N498-F581 WeakPolarHBondContact ND2-CZ 3.43Å
499	I	95.9	Very high	96.3	Very high	5 Å²	5	15.5 Å²	15.5	3%	0.026	8%	0.078	C	C	.	.			trans	-84.4	120.6	164.2	-51.2	172.6	0	0	0	106.5	E484 A486 A501 I538 M539 T542	E484-I499 HydrophobicContact CB-CB 4.01Å; E484-I499 WeakPolarHBondContact CB-O 3.46Å; E484-I499 HydrophobicContact CG-CB 3.95Å; E484-I499 HydrophobicContact CG-CD1 4.14Å; E484-I499 HydrophobicContact CG-CG1 4.44Å; E484-I499 PolarHBondContact N-O 2.91Å; E484-I499 PolarHBondContact O-N 2.97Å; E484-I499 VanDerWaalsContact OE1-CD1 3.22Å; E484-I499 WeakPolarHBondContact OE1-CD1 3.29Å; A486-I499 HydrophobicContact CB-CD1 3.77Å; A486-I499 HydrophobicContact CB-CG1 3.48Å; A486-I499 VanDerWaalsContact CB-CG1 3.48Å; I499-A501 PolarHBondContact O-N 3.29Å; I499-I538 HydrophobicContact CG2-CB 4.41Å; I499-I538 HydrophobicContact CG2-CG2 3.94Å; I499-M539 HydrophobicContact CD1-CB 3.83Å; I499-M539 HydrophobicContact CD1-CG 3.64Å; I499-M539 HydrophobicContact CG1-CB 4.46Å; I499-M539 HydrophobicContact CG2-CB 4.43Å; I499-T542 HydrophobicContact CG1-CG2 4.45Å
500	R	94.8	Very high	96.5	Very high	18 Å²	18	15.3 Å²	15.3	7%	0.068	8%	0.077	C	C	.	.			trans	-88.9	87.8	-179.4	-63.2	-61.3	-161.5	135.2	0.4	109.8	L47 T482 C502 D549 S578 F581	L47-R500 HydrophobicContact CB-CB 4.3Å; L47-R500 HydrophobicContact CB-CG 4.19Å; L47-R500 HydrophobicContact CD2-CG 4.23Å; T482-R500 WeakPolarHBondContact O-CD 3.45Å; R500-C502 PolarHBondContact O-N 3.02Å; R500-D549 IonicContact CZ-OD1 3.99Å; R500-D549 VanDerWaalsContact CZ-OD1 3.31Å; R500-D549 IonicContact CZ-OD2 2.73Å; R500-D549 IonicContact NE-OD1 3.28Å; R500-D549 PolarHBondContact NE-OD1 3.32Å; R500-D549 IonicContact NE-OD2 2.69Å; R500-D549 PolarHBondContact NE-OD2 3.25Å; R500-D549 VanDerWaalsContact NE-OD2 3.13Å; R500-D549 IonicContact NH2-OD1 3.68Å; R500-D549 PolarHBondContact NH2-OD1 3.43Å; R500-D549 IonicContact NH2-OD2 2.86Å; R500-S578 PolarHBondContact NH1-O 2.54Å; R500-S578 PolarHBondContact NH2-O 3.43Å; R500-F581 VanDerWaalsContact NH1-CE1 3.34Å
501	A	94.6	Very high	96.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.09	C	C	.	.			trans	-63.1	-28.4	-179.4	0	0	0	0	0	114.5	Q465 T482 I499 S503 Q535	Q465-A501 HydrophobicContact CB-CB 4.22Å; T482-A501 HydrophobicContact CG2-CB 3.9Å; I499-A501 PolarHBondContact O-N 3.29Å; A501-S503 PolarHBondContact O-N 3.36Å; A501-Q535 VanDerWaalsContact CA-OE1 3.32Å
502	C	96.9	Very high	96.8	Very high	4 Å²	4	17.4 Å²	17.4	3%	0.027	9%	0.087	C	C	.	.			trans	-73.8	116.5	171.1	179.3	0	0	0	0	110	V51 L479 V480 R500	V51-C502 WeakPolarHBondContact CG1-SG 3.14Å; L479-C502 VanDerWaalsContact CB-SG 3.5Å; V480-C502 WeakPolarHBondContact O-CB 3.43Å; V480-C502 PolarHBondContact O-SG 3.47Å; V480-C502 VanDerWaalsContact O-SG 3.38Å; R500-C502 PolarHBondContact O-N 3.02Å
503	S	96	Very high	96.9	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.007	9%	0.087	C	C	.	.			trans	-146.5	163.2	-176.6	66.2	0	0	0	0	111	A501 A506 L507	A501-S503 PolarHBondContact O-N 3.36Å; S503-A506 PolarHBondContact O-N 2.7Å; S503-A506 WeakPolarHBondContact OG-CB 3.39Å; S503-A506 PolarHBondContact OG-N 2.86Å; S503-L507 PolarHBondContact O-N 3.04Å
504	M	95.9	Very high	97	Very high	71 Å²	71	17.3 Å²	17.3	35%	0.35	9%	0.086	S	C	.	.	H	α-helix	trans	-59.3	-44.2	173.9	-75	-62.5	-63.4	0	0	112.8	A49 P50 A506 L507 E508	A49-M504 HydrophobicContact CB-CG 3.95Å; A49-M504 HydrophobicContact CB-SD 4.27Å; P50-M504 HydrophobicContact CB-CG 4.48Å; P50-M504 HydrophobicContact CB-SD 4Å; M504-A506 VanDerWaalsContact C-N 3.33Å; M504-A506 PolarHBondContact O-N 3.44Å; M504-L507 WeakPolarHBondContact O-CB 3.48Å; M504-L507 PolarHBondContact O-N 3.12Å; M504-L507 VanDerWaalsContact O-N 3.15Å; M504-L507 HydrophobicContact SD-CD2 4.06Å; M504-E508 WeakPolarHBondContact O-CG 3.3Å; M504-E508 PolarHBondContact O-N 3.43Å
505	P	95.9	Very high	97	Very high	10 Å²	10	19.8 Å²	19.8	7%	0.065	11%	0.111	C	C	.	.	H	α-helix	trans	-57.6	-41.2	171.7	-29.4	38.1	0	0	0	113.9	E508 W509 K530 A531 W534	P505-E508 PolarHBondContact O-N 3.38Å; P505-W509 WeakPolarHBondContact O-CB 3.31Å; P505-W509 PolarHBondContact O-N 3.01Å; P505-K530 HydrophobicContact CB-CG 4.44Å; P505-A531 HydrophobicContact CB-CB 3.99Å; P505-W534 HydrophobicContact CB-CB 4.46Å; P505-W534 HydrophobicContact CG-CB 4.18Å; P505-W534 HydrophobicContact CG-CD2 4.06Å; P505-W534 HydrophobicContact CG-CE3 4.07Å; P505-W534 HydrophobicContact CG-CG 4.1Å
506	A	98.1	Very high	96.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.8	-41.3	174.9	0	0	0	0	0	111.5	L466 Q469 L479 S503 M504 W509 C510	L466-A506 HydrophobicContact CD2-CB 3.8Å; Q469-A506 HydrophobicContact CG-CB 4.44Å; L479-A506 HydrophobicContact CD1-CB 4.24Å; S503-A506 PolarHBondContact O-N 2.7Å; S503-A506 WeakPolarHBondContact OG-CB 3.39Å; S503-A506 PolarHBondContact OG-N 2.86Å; M504-A506 VanDerWaalsContact C-N 3.33Å; M504-A506 PolarHBondContact O-N 3.44Å; A506-W509 PolarHBondContact O-N 3.44Å; A506-C510 WeakPolarHBondContact O-CB 3.46Å; A506-C510 PolarHBondContact O-N 2.9Å; A506-C510 PolarHBondContact O-SG 2.9Å
507	L	98.4	Very high	96.9	Very high	17 Å²	17	26.8 Å²	26.8	9%	0.089	15%	0.15	C	C	.	.	H	α-helix	trans	-63.6	-45.1	176.9	-179.8	60.9	0	0	0	112.4	P50 Y473 L479 S503 M504 W509 C510 K511	P50-L507 HydrophobicContact CB-CB 4.37Å; P50-L507 HydrophobicContact CB-CD2 4.15Å; Y473-L507 HydrophobicContact CD2-CD1 4.08Å; Y473-L507 HydrophobicContact CE2-CD1 3.51Å; L479-L507 HydrophobicContact CD1-CB 3.84Å; L479-L507 HydrophobicContact CD1-CD1 4.22Å; L479-L507 HydrophobicContact CG-CD1 4.03Å; S503-L507 PolarHBondContact O-N 3.04Å; M504-L507 WeakPolarHBondContact O-CB 3.48Å; M504-L507 PolarHBondContact O-N 3.12Å; M504-L507 VanDerWaalsContact O-N 3.15Å; M504-L507 HydrophobicContact SD-CD2 4.06Å; L507-W509 VanDerWaalsContact C-N 3.33Å; L507-C510 PolarHBondContact O-N 2.99Å; L507-K511 HydrophobicContact CD1-CD 4.44Å; L507-K511 HydrophobicContact CG-CD 4.3Å; L507-K511 WeakPolarHBondContact O-CB 3.32Å; L507-K511 WeakPolarHBondContact O-CG 3.4Å; L507-K511 PolarHBondContact O-N 3.02Å
508	E	97.9	Very high	96.8	Very high	76 Å²	76	36.8 Å²	36.8	36%	0.355	19%	0.194	S	C	.	.	H	α-helix	trans	-59.4	-45.8	176	-73.5	170.1	-170.8	0	0	111	M504 P505 K511 A512 L527	M504-E508 WeakPolarHBondContact O-CG 3.3Å; M504-E508 PolarHBondContact O-N 3.43Å; P505-E508 PolarHBondContact O-N 3.38Å; E508-K511 PolarHBondContact O-N 3.34Å; E508-A512 PolarHBondContact O-N 3.37Å; E508-L527 HydrophobicContact CB-CD2 4.3Å
509	W	98.4	Very high	96.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64	-44.9	176.5	177.3	69.3	0	0	0	112.5	L466 L470 P505 A506 L507 K511 A512 M513 L527 L528 M646	L466-W509 HydrophobicContact CB-CE3 4.39Å; L466-W509 HydrophobicContact CB-CH2 4.28Å; L466-W509 HydrophobicContact CB-CZ3 3.84Å; L466-W509 WeakPolarHBondContact O-CZ3 3.32Å; L470-W509 HydrophobicContact CB-CH2 3.9Å; L470-W509 HydrophobicContact CB-CZ3 3.72Å; L470-W509 HydrophobicContact CD2-CH2 3.69Å; L470-W509 HydrophobicContact CD2-CZ2 4.23Å; L470-W509 HydrophobicContact CD2-CZ3 4.29Å; L470-W509 HydrophobicContact CG-CH2 4.33Å; L470-W509 HydrophobicContact CG-CZ3 4.46Å; P505-W509 WeakPolarHBondContact O-CB 3.31Å; P505-W509 PolarHBondContact O-N 3.01Å; A506-W509 PolarHBondContact O-N 3.44Å; L507-W509 VanDerWaalsContact C-N 3.33Å; W509-K511 VanDerWaalsContact C-N 3.33Å; W509-K511 PolarHBondContact O-N 2.98Å; W509-A512 PolarHBondContact O-N 3.16Å; W509-A512 VanDerWaalsContact O-N 3.15Å; W509-M513 HydrophobicContact CD2-CG 4.2Å; W509-M513 HydrophobicContact CH2-CG 4.48Å; W509-M513 HydrophobicContact CZ2-CG 3.76Å; W509-M513 HydrophobicContact CZ2-SD 4.37Å; W509-M513 WeakPolarHBondContact O-CG 3.35Å; W509-M513 PolarHBondContact O-N 3.49Å; W509-L527 HydrophobicContact CB-CB 4.04Å; W509-L527 HydrophobicContact CG-CB 4.36Å; W509-L528 VanDerWaalsContact CD1-N 3.26Å; W509-L528 HydrophobicContact CD2-CD1 4.37Å; W509-L528 HydrophobicContact CH2-CD1 4.45Å; W509-L528 HydrophobicContact CZ2-CD1 3.9Å; W509-M646 HydrophobicContact CH2-CE 3.81Å; W509-M646 HydrophobicContact CH2-CG 3.76Å; W509-M646 HydrophobicContact CH2-SD 3.64Å; W509-M646 HydrophobicContact CZ2-CE 4.1Å; W509-M646 HydrophobicContact CZ2-CG 3.79Å; W509-M646 HydrophobicContact CZ2-SD 4.2Å
510	C	98.8	Very high	96.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.2	-40.4	175.8	-73.5	0	0	0	0	112.5	Y473 A506 L507 A512 M513 T514	Y473-C510 HydrophobicContact CD1-CB 3.97Å; Y473-C510 HydrophobicContact CD2-CB 4.04Å; Y473-C510 HydrophobicContact CG-CB 3.67Å; A506-C510 WeakPolarHBondContact O-CB 3.46Å; A506-C510 PolarHBondContact O-N 2.9Å; A506-C510 PolarHBondContact O-SG 2.9Å; L507-C510 PolarHBondContact O-N 2.99Å; C510-A512 VanDerWaalsContact C-N 3.34Å; C510-M513 PolarHBondContact O-N 2.86Å; C510-T514 WeakPolarHBondContact O-CG2 3.34Å; C510-T514 PolarHBondContact O-N 2.64Å; C510-T514 PolarHBondContact O-OG1 3.33Å
511	K	98.7	Very high	97	Very high	68 Å²	68	43.5 Å²	43.5	30%	0.296	24%	0.241	S	C	.	.	H	α-helix	trans	-62.8	-39.6	174.6	-78	172.1	178.2	175.2	0	112.3	Y473 L507 E508 W509 G515 Q516 A517	Y473-K511 HydrophobicContact CE1-CG 4.35Å; Y473-K511 HydrophobicContact CE2-CG 4.48Å; Y473-K511 VanDerWaalsContact OH-CG 3.22Å; Y473-K511 WeakPolarHBondContact OH-CG 3.34Å; L507-K511 HydrophobicContact CD1-CD 4.44Å; L507-K511 HydrophobicContact CG-CD 4.3Å; L507-K511 WeakPolarHBondContact O-CB 3.32Å; L507-K511 WeakPolarHBondContact O-CG 3.4Å; L507-K511 PolarHBondContact O-N 3.02Å; E508-K511 PolarHBondContact O-N 3.34Å; W509-K511 VanDerWaalsContact C-N 3.33Å; W509-K511 PolarHBondContact O-N 2.98Å; K511-G515 PolarHBondContact O-N 3.15Å; K511-Q516 HydrophobicContact CB-CB 4.4Å; K511-Q516 PolarHBondContact O-N 3.13Å; K511-A517 HydrophobicContact CB-CB 4.22Å; K511-A517 PolarHBondContact O-N 2.8Å
512	A	98.6	Very high	97.2	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-69.2	-42.2	177	0	0	0	0	0	112	E508 W509 C510 T514 G515 C519 K524 L527	E508-A512 PolarHBondContact O-N 3.37Å; W509-A512 PolarHBondContact O-N 3.16Å; W509-A512 VanDerWaalsContact O-N 3.15Å; C510-A512 VanDerWaalsContact C-N 3.34Å; A512-T514 PolarHBondContact O-N 3.41Å; A512-G515 PolarHBondContact O-N 3.41Å; A512-C519 HydrophobicContact CB-CB 4.02Å; A512-K524 HydrophobicContact CB-CG 4.05Å; A512-K524 WeakPolarHBondContact O-CE 3.5Å; A512-K524 PolarHBondContact O-NZ 2.75Å; A512-L527 HydrophobicContact CB-CD1 3.54Å
513	M	98.6	Very high	97.2	Very high	23 Å²	23	51.8 Å²	51.8	11%	0.113	28%	0.281	C	S	.	.	H	α-helix	trans	-63.9	-39.2	177.7	-75.4	-60.2	-69.5	0	0	112.6	L470 W509 C510 G515 K524 E645 L649	L470-M513 HydrophobicContact CD1-CB 3.65Å; L470-M513 HydrophobicContact CD1-CG 4.36Å; L470-M513 HydrophobicContact CD2-CB 4.25Å; L470-M513 HydrophobicContact CD2-CE 4.11Å; L470-M513 HydrophobicContact CD2-CG 4.28Å; W509-M513 HydrophobicContact CD2-CG 4.2Å; W509-M513 HydrophobicContact CH2-CG 4.48Å; W509-M513 HydrophobicContact CZ2-CG 3.76Å; W509-M513 HydrophobicContact CZ2-SD 4.37Å; W509-M513 WeakPolarHBondContact O-CG 3.35Å; W509-M513 PolarHBondContact O-N 3.49Å; C510-M513 PolarHBondContact O-N 2.86Å; M513-G515 VanDerWaalsContact C-N 3.33Å; M513-G515 PolarHBondContact O-N 3.33Å; M513-K524 HydrophobicContact SD-CB 4.45Å; M513-K524 HydrophobicContact SD-CD 3.99Å; M513-E645 HydrophobicContact CE-CB 3.9Å; M513-L649 HydrophobicContact SD-CD2 3.82Å
514	T	98.2	Very high	97.3	Very high	46 Å²	46	54 Å²	54	28%	0.282	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	4.7	-179	56.2	0	0	0	0	114.7	L470 Y473 K474 C510 A512 Q516	L470-T514 HydrophobicContact CD1-CG2 4.13Å; Y473-T514 HydrophobicContact CD1-CG2 3.84Å; Y473-T514 HydrophobicContact CE1-CG2 4.37Å; Y473-T514 WeakPolarHBondContact CE1-OG1 3.18Å; K474-T514 HydrophobicContact CG-CG2 3.86Å; C510-T514 WeakPolarHBondContact O-CG2 3.34Å; C510-T514 PolarHBondContact O-N 2.64Å; C510-T514 PolarHBondContact O-OG1 3.33Å; A512-T514 PolarHBondContact O-N 3.41Å; T514-Q516 PolarHBondContact O-N 3.01Å
515	G	95.4	Very high	97.4	Very high	54 Å²	54	50.6 Å²	50.6	56%	0.557	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	6	176.3	0	0	0	0	0	115	K511 A512 M513 A517	K511-G515 PolarHBondContact O-N 3.15Å; A512-G515 PolarHBondContact O-N 3.41Å; M513-G515 VanDerWaalsContact C-N 3.33Å; M513-G515 PolarHBondContact O-N 3.33Å; G515-A517 VanDerWaalsContact C-N 3.32Å
516	Q	94.4	Very high	97.4	Very high	125 Å²	125	53 Å²	53	58%	0.584	28%	0.282	S	S	*	.	S	Bend	trans	-70.2	-32.1	174	-174.1	171.4	-14.5	0	0	111.8	Y473 K511 T514	Y473-Q516 PolarHBondContact OH-OE1 2.94Å; K511-Q516 HydrophobicContact CB-CB 4.4Å; K511-Q516 PolarHBondContact O-N 3.13Å; T514-Q516 PolarHBondContact O-N 3.01Å
517	A	95.6	Very high	97.4	Very high	36 Å²	36	54.7 Å²	54.7	30%	0.298	29%	0.291	S	S	.	.	S	Bend	trans	-106.6	132.6	165.2	0	0	0	0	0	109.4	K511 G515 C519	K511-A517 HydrophobicContact CB-CB 4.22Å; K511-A517 PolarHBondContact O-N 2.8Å; G515-A517 VanDerWaalsContact C-N 3.32Å; A517-C519 PolarHBondContact O-N 3.31Å
518	K	94.8	Very high	97.3	Very high	214 Å²	214	53.9 Å²	53.9	93%	0.93	29%	0.287	S	S	*	.			trans	-75.8	109.4	175.4	-70.2	-176.4	179.6	179.9	0	109.1
519	C	96.7	Very high	97.2	Very high	36 Å²	36	50.9 Å²	50.9	24%	0.243	27%	0.272	C	S	.	.			trans	-136.4	139.8	177.5	-60.4	0	0	0	0	110	A512 A517 E523 K524	A512-C519 HydrophobicContact CB-CB 4.02Å; A517-C519 PolarHBondContact O-N 3.31Å; C519-E523 WeakPolarHBondContact CA-OE2 3.48Å; C519-E523 HydrophobicContact CB-CB 4Å; C519-K524 HydrophobicContact CB-CG 4.02Å; C519-K524 WeakPolarHBondContact O-CE 3.4Å
520	S	97.5	Very high	97	Very high	58 Å²	58	53.2 Å²	53.2	41%	0.406	28%	0.282	S	S	.	.			trans	-63.6	163.8	165.7	64.3	0	0	0	0	111.5	D522 E523 K524	S520-D522 VanDerWaalsContact C-N 3.31Å; S520-D522 PolarHBondContact O-N 3.01Å; S520-E523 WeakPolarHBondContact CB-OE2 3.5Å; S520-E523 PolarHBondContact N-OE2 2.8Å; S520-E523 PolarHBondContact O-N 2.79Å; S520-E523 WeakPolarHBondContact OG-CB 3.44Å; S520-E523 VanDerWaalsContact OG-CD 3.29Å; S520-E523 VanDerWaalsContact OG-CG 3.24Å; S520-E523 WeakPolarHBondContact OG-CG 3.36Å; S520-E523 PolarHBondContact OG-N 3.48Å; S520-E523 PolarHBondContact OG-OE2 3.11Å; S520-K524 WeakPolarHBondContact O-CG 3.42Å; S520-K524 PolarHBondContact O-N 2.89Å
521	T	97.8	Very high	96.9	Very high	74 Å²	74	53.2 Å²	53.2	45%	0.454	28%	0.282	S	S	.	.	H	α-helix	trans	-57.7	-43.3	176.9	-51.9	0	0	0	0	111.9	K524 I525 L649 S652	T521-K524 WeakPolarHBondContact O-CB 2.97Å; T521-K524 PolarHBondContact O-N 3.11Å; T521-I525 WeakPolarHBondContact O-CG1 3.18Å; T521-I525 PolarHBondContact O-N 2.85Å; T521-I525 VanDerWaalsContact O-N 3.1Å; T521-L649 HydrophobicContact CG2-CD1 3.86Å; T521-S652 WeakPolarHBondContact CG2-OG 3.32Å
522	D	97.7	Very high	96.7	Very high	74 Å²	74	50.2 Å²	50.2	40%	0.396	27%	0.269	S	S	.	.	H	α-helix	trans	-66.2	-38.8	178.7	-78.6	-0.9	0	0	0	112	S520 K524 I525 R526 N653 L656	S520-D522 VanDerWaalsContact C-N 3.31Å; S520-D522 PolarHBondContact O-N 3.01Å; D522-K524 PolarHBondContact O-N 2.81Å; D522-I525 WeakPolarHBondContact O-CB 3.35Å; D522-I525 PolarHBondContact O-N 2.92Å; D522-R526 WeakPolarHBondContact O-CG 3.33Å; D522-R526 PolarHBondContact O-N 3.35Å; D522-N653 PolarHBondContact OD1-ND2 3.39Å; D522-L656 HydrophobicContact CB-CD2 3.54Å; D522-L656 VanDerWaalsContact CG-CD2 3.49Å
523	E	97.5	Very high	96.4	Very high	104 Å²	104	51.6 Å²	51.6	49%	0.486	28%	0.276	S	S	.	.	H	α-helix	trans	-63.5	-39.7	174.1	-74.8	165.8	139.4	0	0	111.9	C519 S520 I525 R526 L527	C519-E523 WeakPolarHBondContact CA-OE2 3.48Å; C519-E523 HydrophobicContact CB-CB 4Å; S520-E523 WeakPolarHBondContact CB-OE2 3.5Å; S520-E523 PolarHBondContact N-OE2 2.8Å; S520-E523 PolarHBondContact O-N 2.79Å; S520-E523 WeakPolarHBondContact OG-CB 3.44Å; S520-E523 VanDerWaalsContact OG-CD 3.29Å; S520-E523 VanDerWaalsContact OG-CG 3.24Å; S520-E523 WeakPolarHBondContact OG-CG 3.36Å; S520-E523 PolarHBondContact OG-N 3.48Å; S520-E523 PolarHBondContact OG-OE2 3.11Å; E523-I525 VanDerWaalsContact C-N 3.32Å; E523-I525 PolarHBondContact O-N 3.24Å; E523-R526 PolarHBondContact O-N 3.5Å; E523-L527 WeakPolarHBondContact O-CG 3.3Å; E523-L527 PolarHBondContact O-N 3.36Å
524	K	98.4	Very high	96	Very high	48 Å²	48	51.8 Å²	51.8	21%	0.209	28%	0.275	C	S	.	.	H	α-helix	trans	-61.9	-39	174.7	-69.5	177.7	-170.3	-164.2	0	112	A512 M513 C519 S520 T521 D522 L527 L528 L649	A512-K524 HydrophobicContact CB-CG 4.05Å; A512-K524 WeakPolarHBondContact O-CE 3.5Å; A512-K524 PolarHBondContact O-NZ 2.75Å; M513-K524 HydrophobicContact SD-CB 4.45Å; M513-K524 HydrophobicContact SD-CD 3.99Å; C519-K524 HydrophobicContact CB-CG 4.02Å; C519-K524 WeakPolarHBondContact O-CE 3.4Å; S520-K524 WeakPolarHBondContact O-CG 3.42Å; S520-K524 PolarHBondContact O-N 2.89Å; T521-K524 WeakPolarHBondContact O-CB 2.97Å; T521-K524 PolarHBondContact O-N 3.11Å; D522-K524 PolarHBondContact O-N 2.81Å; K524-L527 PolarHBondContact O-N 3.34Å; K524-L528 WeakPolarHBondContact O-CB 3.3Å; K524-L528 PolarHBondContact O-N 2.88Å; K524-L649 HydrophobicContact CB-CD1 3.69Å; K524-L649 HydrophobicContact CB-CD2 4.08Å; K524-L649 HydrophobicContact CD-CD1 4.34Å
525	I	98.1	Very high	95.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-42.1	174.1	-68.4	169.3	0	0	0	110.8	T521 D522 E523 L528 R529 L649 N653 L656 A657	T521-I525 WeakPolarHBondContact O-CG1 3.18Å; T521-I525 PolarHBondContact O-N 2.85Å; T521-I525 VanDerWaalsContact O-N 3.1Å; D522-I525 WeakPolarHBondContact O-CB 3.35Å; D522-I525 PolarHBondContact O-N 2.92Å; E523-I525 VanDerWaalsContact C-N 3.32Å; E523-I525 PolarHBondContact O-N 3.24Å; I525-L528 WeakPolarHBondContact O-CB 3.42Å; I525-L528 PolarHBondContact O-N 3.31Å; I525-R529 PolarHBondContact O-N 2.92Å; I525-L649 WeakPolarHBondContact CD1-O 3.24Å; I525-L649 HydrophobicContact CG1-CD1 3.87Å; I525-L649 HydrophobicContact CG1-CD2 4.36Å; I525-L649 HydrophobicContact CG1-CG 3.76Å; I525-N653 HydrophobicContact CD1-CB 3.69Å; I525-L656 HydrophobicContact CB-CD2 4.04Å; I525-L656 HydrophobicContact CD1-CD2 4.2Å; I525-L656 HydrophobicContact CG2-CB 4.37Å; I525-L656 HydrophobicContact CG2-CD2 3.97Å; I525-L656 HydrophobicContact CG2-CG 4.07Å; I525-A657 HydrophobicContact CG2-CB 3.98Å
526	R	96.3	Very high	95.5	Very high	59 Å²	59	49.1 Å²	49.1	22%	0.223	25%	0.248	C	C	.	.	H	α-helix	trans	-65.8	-41.5	177.5	-67.7	-58.5	-169.9	170.3	3.1	112.5	D522 E523 R529 K530 L656 P660	D522-R526 WeakPolarHBondContact O-CG 3.33Å; D522-R526 PolarHBondContact O-N 3.35Å; E523-R526 PolarHBondContact O-N 3.5Å; R526-R529 PolarHBondContact O-N 3.39Å; R526-K530 PolarHBondContact O-N 2.77Å; R526-L656 VanDerWaalsContact CZ-CD1 3.41Å; R526-P660 PolarHBondContact NH1-O 3.09Å
527	L	96.8	Very high	95.2	Very high	36 Å²	36	43.1 Å²	43.1	19%	0.188	22%	0.22	C	C	.	.	H	α-helix	trans	-63.1	-41	174.3	-71.2	172.9	0	0	0	111.8	E508 W509 A512 E523 K524 K530 A531	E508-L527 HydrophobicContact CB-CD2 4.3Å; W509-L527 HydrophobicContact CB-CB 4.04Å; W509-L527 HydrophobicContact CG-CB 4.36Å; A512-L527 HydrophobicContact CB-CD1 3.54Å; E523-L527 WeakPolarHBondContact O-CG 3.3Å; E523-L527 PolarHBondContact O-N 3.36Å; K524-L527 PolarHBondContact O-N 3.34Å; L527-K530 PolarHBondContact O-N 3.48Å; L527-A531 WeakPolarHBondContact O-CB 3.36Å; L527-A531 PolarHBondContact O-N 2.68Å
528	L	97.7	Very high	95	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-57.5	-51.9	173.7	176.3	56.5	0	0	0	110.6	M458 L466 W509 K524 I525 K530 A531 M532 M646 L649 V650	M458-L528 HydrophobicContact CE-CD2 3.97Å; M458-L528 HydrophobicContact CE-CG 4.23Å; M458-L528 HydrophobicContact SD-CD2 4.41Å; L466-L528 HydrophobicContact CD1-CD1 3.58Å; W509-L528 VanDerWaalsContact CD1-N 3.26Å; W509-L528 HydrophobicContact CD2-CD1 4.37Å; W509-L528 HydrophobicContact CH2-CD1 4.45Å; W509-L528 HydrophobicContact CZ2-CD1 3.9Å; K524-L528 WeakPolarHBondContact O-CB 3.3Å; K524-L528 PolarHBondContact O-N 2.88Å; I525-L528 WeakPolarHBondContact O-CB 3.42Å; I525-L528 PolarHBondContact O-N 3.31Å; L528-K530 VanDerWaalsContact C-N 3.35Å; L528-K530 PolarHBondContact O-N 3.43Å; L528-A531 PolarHBondContact O-N 3.41Å; L528-M532 HydrophobicContact CD1-CG 4.12Å; L528-M532 HydrophobicContact CD1-SD 4.18Å; L528-M532 HydrophobicContact CG-SD 4.27Å; L528-M532 WeakPolarHBondContact O-CG 3.26Å; L528-M532 PolarHBondContact O-N 2.79Å; L528-M646 HydrophobicContact CD1-CE 3.9Å; L528-L649 HydrophobicContact CD2-CD2 4.27Å; L528-V650 HydrophobicContact CD2-CG2 3.87Å
529	R	95.8	Very high	94.8	Very high	13 Å²	13	34 Å²	34	5%	0.049	18%	0.176	C	C	.	.	H	α-helix	trans	-59	-44.5	-179.8	179.7	60.1	63.3	-172.6	4.1	111.9	V456 N457 M458 I525 R526 A531 M532 E533 A657 Q659	V456-R529 PolarHBondContact O-NH2 3.21Å; N457-R529 PolarHBondContact O-NH1 3.26Å; N457-R529 PolarHBondContact O-NH2 3.17Å; M458-R529 VanDerWaalsContact CG-NH2 3.32Å; I525-R529 PolarHBondContact O-N 2.92Å; R526-R529 PolarHBondContact O-N 3.39Å; R529-A531 VanDerWaalsContact C-N 3.34Å; R529-A531 PolarHBondContact O-N 3.41Å; R529-M532 PolarHBondContact O-N 3.44Å; R529-E533 WeakPolarHBondContact CD-OE1 3.43Å; R529-E533 WeakPolarHBondContact CG-OE1 3.4Å; R529-E533 WeakPolarHBondContact O-CG 3.45Å; R529-E533 PolarHBondContact O-N 2.99Å; R529-A657 PolarHBondContact NE-O 3.19Å; R529-A657 PolarHBondContact NH2-O 2.75Å; R529-Q659 WeakPolarHBondContact CD-O 3.2Å; R529-Q659 WeakPolarHBondContact CG-O 3.43Å; R529-Q659 PolarHBondContact NE-O 2.58Å
530	K	94.5	Very high	94.5	Very high	50 Å²	50	32.9 Å²	32.9	22%	0.217	17%	0.167	C	C	.	.	H	α-helix	trans	-59.3	-43.7	176.1	-175.4	175	179.6	172.3	0	111.8	P505 R526 L527 L528 E533 W534 E663	P505-K530 HydrophobicContact CB-CG 4.44Å; R526-K530 PolarHBondContact O-N 2.77Å; L527-K530 PolarHBondContact O-N 3.48Å; L528-K530 VanDerWaalsContact C-N 3.35Å; L528-K530 PolarHBondContact O-N 3.43Å; K530-E533 PolarHBondContact O-N 3.28Å; K530-W534 WeakPolarHBondContact O-CB 3.45Å; K530-W534 PolarHBondContact O-N 2.92Å; K530-E663 IonicContact NZ-OE2 2.84Å; K530-E663 PolarHBondContact NZ-OE2 3.25Å
531	A	95.8	Very high	94.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.1	-37.8	177	0	0	0	0	0	112.8	L466 P505 L527 L528 R529 Q535	L466-A531 HydrophobicContact CD1-CB 3.84Å; L466-A531 HydrophobicContact CD2-CB 3.88Å; P505-A531 HydrophobicContact CB-CB 3.99Å; L527-A531 WeakPolarHBondContact O-CB 3.36Å; L527-A531 PolarHBondContact O-N 2.68Å; L528-A531 PolarHBondContact O-N 3.41Å; R529-A531 VanDerWaalsContact C-N 3.34Å; R529-A531 PolarHBondContact O-N 3.41Å; A531-Q535 PolarHBondContact O-N 2.96Å
532	M	93.8	Very high	93.9	Very high	4 Å²	4	27 Å²	27	2%	0.02	13%	0.128	C	C	.	.	H	α-helix	trans	-68.7	-39.5	176.4	-67.4	-169.9	75.6	0	0	113	M458 F463 L466 L528 R529 Q535 T536	M458-M532 HydrophobicContact CB-CE 3.48Å; M458-M532 VanDerWaalsContact CB-CE 3.48Å; M458-M532 HydrophobicContact CB-SD 3.97Å; M458-M532 HydrophobicContact CE-SD 3.91Å; M458-M532 HydrophobicContact CG-CE 3.76Å; M458-M532 HydrophobicContact CG-SD 3.54Å; M458-M532 VanDerWaalsContact CG-SD 3.54Å; M458-M532 HydrophobicContact SD-CE 4.28Å; M458-M532 HydrophobicContact SD-SD 3.52Å; F463-M532 HydrophobicContact CB-CE 4.27Å; L466-M532 HydrophobicContact CD1-CB 4.44Å; L466-M532 HydrophobicContact CD1-CG 3.4Å; L466-M532 VanDerWaalsContact CD1-CG 3.4Å; L528-M532 HydrophobicContact CD1-CG 4.12Å; L528-M532 HydrophobicContact CD1-SD 4.18Å; L528-M532 HydrophobicContact CG-SD 4.27Å; L528-M532 WeakPolarHBondContact O-CG 3.26Å; L528-M532 PolarHBondContact O-N 2.79Å; R529-M532 PolarHBondContact O-N 3.44Å; M532-Q535 PolarHBondContact O-N 2.89Å; M532-T536 WeakPolarHBondContact O-CB 3.38Å; M532-T536 PolarHBondContact O-N 3.15Å; M532-T536 PolarHBondContact O-OG1 3.22Å
533	E	92.2	Very high	93.7	Very high	30 Å²	30	25 Å²	25	14%	0.14	12%	0.117	C	C	.	.	H	α-helix	trans	-65.7	-41.6	176.1	-74.1	176.1	-166.9	0	0	111.3	R529 K530 Q535 T536 E537 P660 S661 V665	R529-E533 WeakPolarHBondContact CD-OE1 3.43Å; R529-E533 WeakPolarHBondContact CG-OE1 3.4Å; R529-E533 WeakPolarHBondContact O-CG 3.45Å; R529-E533 PolarHBondContact O-N 2.99Å; K530-E533 PolarHBondContact O-N 3.28Å; E533-Q535 PolarHBondContact O-N 3.05Å; E533-T536 PolarHBondContact O-N 3.48Å; E533-E537 PolarHBondContact O-N 3.46Å; E533-P660 VanDerWaalsContact OE1-CA 3.27Å; E533-P660 WeakPolarHBondContact OE1-CA 3.49Å; E533-S661 PolarHBondContact OE1-N 3.29Å; E533-S661 WeakPolarHBondContact OE2-CB 3.39Å; E533-V665 HydrophobicContact CB-CG2 4.39Å
534	W	91.7	Very high	93.4	Very high	27 Å²	27	20.5 Å²	20.5	10%	0.102	10%	0.097	C	C	.	.	H	α-helix	trans	-57.1	-48.3	170.8	-179.7	-81.9	0	0	0	112	R46 P505 K530 T536 E537 I538 V665	R46-W534 HydrophobicContact CB-CH2 4.11Å; R46-W534 HydrophobicContact CB-CZ2 4.09Å; R46-W534 HydrophobicContact CG-CH2 4.16Å; P505-W534 HydrophobicContact CB-CB 4.46Å; P505-W534 HydrophobicContact CG-CB 4.18Å; P505-W534 HydrophobicContact CG-CD2 4.06Å; P505-W534 HydrophobicContact CG-CE3 4.07Å; P505-W534 HydrophobicContact CG-CG 4.1Å; K530-W534 WeakPolarHBondContact O-CB 3.45Å; K530-W534 PolarHBondContact O-N 2.92Å; W534-T536 VanDerWaalsContact C-N 3.28Å; W534-T536 PolarHBondContact O-N 2.92Å; W534-E537 WeakPolarHBondContact O-CB 3.47Å; W534-E537 PolarHBondContact O-N 2.91Å; W534-E537 VanDerWaalsContact O-N 3.16Å; W534-I538 HydrophobicContact CZ2-CD1 4.49Å; W534-I538 PolarHBondContact O-N 2.98Å; W534-V665 HydrophobicContact CB-CG2 4.12Å; W534-V665 HydrophobicContact CD2-CG1 4.49Å; W534-V665 HydrophobicContact CE3-CB 4.47Å; W534-V665 HydrophobicContact CE3-CG1 3.48Å; W534-V665 VanDerWaalsContact CE3-CG1 3.48Å; W534-V665 HydrophobicContact CE3-CG2 4.12Å; W534-V665 HydrophobicContact CZ3-CG1 3.8Å
535	Q	93	Very high	93.2	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-59.2	-42.3	178.8	-168.9	67.3	5.7	0	0	112	E484 A501 A531 M532 E533 E537 I538 M539	E484-Q535 PolarHBondContact OE2-NE2 3.09Å; A501-Q535 VanDerWaalsContact CA-OE1 3.32Å; A531-Q535 PolarHBondContact O-N 2.96Å; M532-Q535 PolarHBondContact O-N 2.89Å; E533-Q535 PolarHBondContact O-N 3.05Å; Q535-E537 VanDerWaalsContact C-N 3.31Å; Q535-E537 PolarHBondContact O-N 3.48Å; Q535-I538 PolarHBondContact O-N 2.87Å; Q535-M539 WeakPolarHBondContact O-CB 3.07Å; Q535-M539 PolarHBondContact O-N 2.62Å
536	T	90.2	Very high	93	Very high	42 Å²	42	19.9 Å²	19.9	26%	0.258	10%	0.095	S	C	.	.	H	α-helix	trans	-63.8	-38.2	178.5	-56.5	0	0	0	0	111.3	M532 E533 W534 L540	M532-T536 WeakPolarHBondContact O-CB 3.38Å; M532-T536 PolarHBondContact O-N 3.15Å; M532-T536 PolarHBondContact O-OG1 3.22Å; E533-T536 PolarHBondContact O-N 3.48Å; W534-T536 VanDerWaalsContact C-N 3.28Å; W534-T536 PolarHBondContact O-N 2.92Å; T536-L540 HydrophobicContact CG2-CD1 4.18Å; T536-L540 WeakPolarHBondContact O-CB 3.49Å; T536-L540 VanDerWaalsContact O-CG 3.3Å; T536-L540 WeakPolarHBondContact O-CG 3.34Å; T536-L540 PolarHBondContact O-N 3.07Å
537	E	87.3	Confident	92.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63	-53.2	175.7	-175.7	-169.2	-153.9	0	0	111.3	R43 E533 W534 Q535 M539 L540 E541 V665 E666 W667	R43-E537 IonicContact CZ-OE1 2.82Å; R43-E537 IonicContact CZ-OE2 3.81Å; R43-E537 IonicContact NH1-OE1 3.38Å; R43-E537 IonicContact NH1-OE2 3.46Å; R43-E537 PolarHBondContact NH1-OE2 2.88Å; R43-E537 VanDerWaalsContact NH1-OE2 3.07Å; R43-E537 IonicContact NH2-OE1 2.67Å; R43-E537 PolarHBondContact NH2-OE1 2.87Å; R43-E537 IonicContact NH2-OE2 3.52Å; R43-E537 PolarHBondContact NH2-OE2 3.42Å; E533-E537 PolarHBondContact O-N 3.46Å; W534-E537 WeakPolarHBondContact O-CB 3.47Å; W534-E537 PolarHBondContact O-N 2.91Å; W534-E537 VanDerWaalsContact O-N 3.16Å; Q535-E537 VanDerWaalsContact C-N 3.31Å; Q535-E537 PolarHBondContact O-N 3.48Å; E537-M539 VanDerWaalsContact C-N 3.29Å; E537-M539 PolarHBondContact O-N 3.45Å; E537-L540 PolarHBondContact O-N 3.4Å; E537-L540 VanDerWaalsContact O-N 3.09Å; E537-E541 PolarHBondContact O-N 2.92Å; E537-V665 WeakPolarHBondContact OE2-CG1 3.41Å; E537-E666 VanDerWaalsContact OE1-O 3.11Å; E537-W667 HydrophobicContact CB-CH2 4.49Å; E537-W667 HydrophobicContact CG-CE3 4.37Å; E537-W667 HydrophobicContact CG-CZ3 4.44Å
538	I	90.5	Very high	92.9	Very high	20 Å²	20	16 Å²	16	10%	0.103	8%	0.08	C	C	.	.	H	α-helix	trans	-59.5	-43.2	179.8	-61.6	-59.5	0	0	0	110.5	I499 W534 Q535 L540 E541 T542	I499-I538 HydrophobicContact CG2-CB 4.41Å; I499-I538 HydrophobicContact CG2-CG2 3.94Å; W534-I538 HydrophobicContact CZ2-CD1 4.49Å; W534-I538 PolarHBondContact O-N 2.98Å; Q535-I538 PolarHBondContact O-N 2.87Å; I538-L540 VanDerWaalsContact C-N 3.35Å; I538-L540 PolarHBondContact O-N 3.49Å; I538-E541 PolarHBondContact O-N 2.68Å; I538-T542 VanDerWaalsContact O-CB 3.29Å; I538-T542 WeakPolarHBondContact O-CB 3.43Å; I538-T542 PolarHBondContact O-N 2.73Å; I538-T542 PolarHBondContact O-OG1 2.96Å
539	M	92.1	Very high	92.9	Very high	39 Å²	39	16.8 Å²	16.8	19%	0.192	8%	0.084	C	C	.	.	H	α-helix	trans	-54.7	-49.9	174.2	-179.7	-152	-53.2	0	0	111.6	I499 Q535 E537 T542 I543	I499-M539 HydrophobicContact CD1-CB 3.83Å; I499-M539 HydrophobicContact CD1-CG 3.64Å; I499-M539 HydrophobicContact CG1-CB 4.46Å; I499-M539 HydrophobicContact CG2-CB 4.43Å; Q535-M539 WeakPolarHBondContact O-CB 3.07Å; Q535-M539 PolarHBondContact O-N 2.62Å; E537-M539 VanDerWaalsContact C-N 3.29Å; E537-M539 PolarHBondContact O-N 3.45Å; M539-T542 PolarHBondContact O-N 3.26Å; M539-I543 WeakPolarHBondContact O-CG1 3.47Å; M539-I543 WeakPolarHBondContact O-CG2 3.47Å; M539-I543 PolarHBondContact O-N 3.38Å
540	L	89.5	Confident	93	Very high	11 Å²	11	16.4 Å²	16.4	6%	0.058	8%	0.083	C	C	.	.	H	α-helix	trans	-64.7	-44	-178.3	-74.3	171.4	0	0	0	112.2	S160 T536 E537 I538 I543 L544 W667 A670 V677	S160-L540 VanDerWaalsContact OG-CD2 3.29Å; S160-L540 WeakPolarHBondContact OG-CD2 3.42Å; T536-L540 HydrophobicContact CG2-CD1 4.18Å; T536-L540 WeakPolarHBondContact O-CB 3.49Å; T536-L540 VanDerWaalsContact O-CG 3.3Å; T536-L540 WeakPolarHBondContact O-CG 3.34Å; T536-L540 PolarHBondContact O-N 3.07Å; E537-L540 PolarHBondContact O-N 3.4Å; E537-L540 VanDerWaalsContact O-N 3.09Å; I538-L540 VanDerWaalsContact C-N 3.35Å; I538-L540 PolarHBondContact O-N 3.49Å; L540-I543 HydrophobicContact CD2-CD1 4.19Å; L540-L544 VanDerWaalsContact O-CB 3.23Å; L540-L544 WeakPolarHBondContact O-CB 3.32Å; L540-L544 WeakPolarHBondContact O-CD1 3.41Å; L540-L544 WeakPolarHBondContact O-CG 3.5Å; L540-L544 PolarHBondContact O-N 3.39Å; L540-L544 VanDerWaalsContact O-N 3.12Å; L540-W667 HydrophobicContact CD1-CH2 3.73Å; L540-W667 HydrophobicContact CD1-CZ3 3.59Å; L540-A670 HydrophobicContact CB-CB 4.39Å; L540-V677 HydrophobicContact CD1-CG1 4.12Å; L540-V677 HydrophobicContact CD1-CG2 4.33Å
541	E	90.2	Very high	93.2	Very high	5 Å²	5	14 Å²	14	2%	0.023	7%	0.072	C	C	.	.	H	α-helix	trans	-59.1	-48.7	175.1	-69.1	-175.3	161.3	0	0	111.1	R43 E537 I538 L544 G545 H546 I669	R43-E541 IonicContact CZ-OE1 3.02Å; R43-E541 IonicContact CZ-OE2 2.68Å; R43-E541 VanDerWaalsContact CZ-OE2 3.28Å; R43-E541 IonicContact NE-OE1 3.56Å; R43-E541 IonicContact NE-OE2 3.63Å; R43-E541 PolarHBondContact NE-OE2 2.84Å; R43-E541 VanDerWaalsContact NH2-CD 3.28Å; R43-E541 IonicContact NH2-OE1 3.06Å; R43-E541 PolarHBondContact NH2-OE1 3.3Å; R43-E541 IonicContact NH2-OE2 3.89Å; R43-E541 PolarHBondContact NH2-OE2 2.91Å; E537-E541 PolarHBondContact O-N 2.92Å; I538-E541 PolarHBondContact O-N 2.68Å; E541-L544 CarbonylContact O-C 3.51Å; E541-L544 PolarHBondContact O-N 3.15Å; E541-G545 PolarHBondContact O-N 3.35Å; E541-H546 HydrophobicContact CB-CB 4.31Å; E541-H546 WeakPolarHBondContact O-CA 3.35Å; E541-H546 WeakPolarHBondContact O-CB 3.31Å; E541-H546 PolarHBondContact O-N 3.41Å; E541-I669 HydrophobicContact CG-CB 4.41Å
542	T	93.4	Very high	93.3	Very high	4 Å²	4	14.2 Å²	14.2	3%	0.025	7%	0.074	C	C	.	.	I	π-helix	trans	-62.7	-50.3	-177.7	-61.1	0	0	0	0	112	A486 D497 N498 I499 I538 M539 L544 G545	A486-T542 HydrophobicContact CB-CG2 3.43Å; A486-T542 VanDerWaalsContact CB-CG2 3.43Å; D497-T542 HydrophobicContact CB-CG2 3.53Å; N498-T542 PolarHBondContact O-OG1 2.86Å; I499-T542 HydrophobicContact CG1-CG2 4.45Å; I538-T542 VanDerWaalsContact O-CB 3.29Å; I538-T542 WeakPolarHBondContact O-CB 3.43Å; I538-T542 PolarHBondContact O-N 2.73Å; I538-T542 PolarHBondContact O-OG1 2.96Å; M539-T542 PolarHBondContact O-N 3.26Å; T542-L544 PolarHBondContact O-N 2.89Å; T542-G545 PolarHBondContact O-N 3.29Å
543	I	92.5	Very high	93.6	Very high	33 Å²	33	14.3 Å²	14.3	17%	0.169	7%	0.074	C	C	.	.	I	π-helix	trans	-68.6	-22.3	-179.9	71	177.6	0	0	0	113	A486 R490 M539 L540 G545	A486-I543 HydrophobicContact CB-CG2 3.89Å; R490-I543 WeakPolarHBondContact CD-O 3.31Å; M539-I543 WeakPolarHBondContact O-CG1 3.47Å; M539-I543 WeakPolarHBondContact O-CG2 3.47Å; M539-I543 PolarHBondContact O-N 3.38Å; L540-I543 HydrophobicContact CD2-CD1 4.19Å; I543-G545 PolarHBondContact O-N 3.49Å
544	L	91.7	Very high	93.9	Very high	9 Å²	9	12.9 Å²	12.9	5%	0.047	7%	0.067	C	C	.	.	I	π-helix	trans	-83.8	5.8	173.4	-66.2	175.8	0	0	0	112.7	F491 L540 E541 T542 H546 A670 L673 A675	F491-L544 WeakPolarHBondContact CZ-O 3.44Å; L540-L544 VanDerWaalsContact O-CB 3.23Å; L540-L544 WeakPolarHBondContact O-CB 3.32Å; L540-L544 WeakPolarHBondContact O-CD1 3.41Å; L540-L544 WeakPolarHBondContact O-CG 3.5Å; L540-L544 PolarHBondContact O-N 3.39Å; L540-L544 VanDerWaalsContact O-N 3.12Å; E541-L544 CarbonylContact O-C 3.51Å; E541-L544 PolarHBondContact O-N 3.15Å; T542-L544 PolarHBondContact O-N 2.89Å; L544-H546 PolarHBondContact O-CD2 2.83Å; L544-H546 VanDerWaalsContact O-CD2 3.28Å; L544-A670 HydrophobicContact CD1-CB 4.33Å; L544-L673 HydrophobicContact CD1-CD1 4.37Å; L544-A675 HydrophobicContact CD1-CB 3.94Å
545	G	93.8	Very high	94.2	Very high	3 Å²	3	11.6 Å²	11.6	3%	0.031	6%	0.063	C	C	.	.	I	π-helix	trans	84.7	18.6	174.9	0	0	0	0	0	113.9	P35 E541 T542 I543	P35-G545 WeakPolarHBondContact CG-O 3.26Å; E541-G545 PolarHBondContact O-N 3.35Å; T542-G545 PolarHBondContact O-N 3.29Å; I543-G545 PolarHBondContact O-N 3.49Å
546	H	94.2	Very high	94.5	Very high	31 Å²	31	13.4 Å²	13.4	14%	0.144	7%	0.069	C	C	.	.	I	π-helix	trans	-108.8	20.5	177.2	-61.4	-83.3	0	0	0	112.7	E541 L544 I669 L673	E541-H546 HydrophobicContact CB-CB 4.31Å; E541-H546 WeakPolarHBondContact O-CA 3.35Å; E541-H546 WeakPolarHBondContact O-CB 3.31Å; E541-H546 PolarHBondContact O-N 3.41Å; L544-H546 PolarHBondContact O-CD2 2.83Å; L544-H546 VanDerWaalsContact O-CD2 3.28Å; H546-I669 HydrophobicContact CB-CD1 4.48Å; H546-I669 HydrophobicContact CB-CG2 4.17Å; H546-L673 VanDerWaalsContact CD2-CD1 3.41Å; H546-L673 WeakPolarHBondContact CD2-CD1 3.15Å; H546-L673 WeakPolarHBondContact NE2-CD1 3.29Å
547	G	94.6	Very high	94.9	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.01	6%	0.064	C	C	.	.			trans	-63.6	151.5	174.9	0	0	0	0	0	112.4	D497	D497-G547 WeakPolarHBondContact OD2-CA 3.42Å
548	V	95.9	Very high	95.4	Very high	14 Å²	14	12.9 Å²	12.9	9%	0.085	6%	0.064	C	C	.	.	H	α-helix	trans	-78.6	-43	-174.6	175.8	0	0	0	0	111.5	T40 R43 L47 H551 L552	T40-V548 HydrophobicContact CG2-CG1 4.07Å; R43-V548 HydrophobicContact CB-CG2 3.38Å; R43-V548 HydrophobicContact CG-CG2 4.37Å; L47-V548 HydrophobicContact CD2-CB 4.05Å; L47-V548 HydrophobicContact CD2-CG1 3.68Å; L47-V548 HydrophobicContact CD2-CG2 4.28Å; V548-H551 PolarHBondContact O-N 3.45Å; V548-L552 HydrophobicContact CG1-CD1 3.6Å; V548-L552 HydrophobicContact CG1-CG 3.96Å; V548-L552 WeakPolarHBondContact O-CG 3.44Å; V548-L552 PolarHBondContact O-N 2.8Å
549	D	97.8	Very high	95.8	Very high	15 Å²	15	12 Å²	12	8%	0.08	6%	0.059	C	C	.	.	H	α-helix	trans	-64.6	-49.7	-167.7	-67.5	-111.1	0	0	0	112.3	N498 R500 H551 L552 L553	N498-D549 HydrophobicContact CB-CB 4.29Å; N498-D549 WeakPolarHBondContact ND2-CB 3.32Å; N498-D549 PolarHBondContact ND2-OD1 3Å; R500-D549 IonicContact CZ-OD1 3.99Å; R500-D549 VanDerWaalsContact CZ-OD1 3.31Å; R500-D549 IonicContact CZ-OD2 2.73Å; R500-D549 IonicContact NE-OD1 3.28Å; R500-D549 PolarHBondContact NE-OD1 3.32Å; R500-D549 IonicContact NE-OD2 2.69Å; R500-D549 PolarHBondContact NE-OD2 3.25Å; R500-D549 VanDerWaalsContact NE-OD2 3.13Å; R500-D549 IonicContact NH2-OD1 3.68Å; R500-D549 PolarHBondContact NH2-OD1 3.43Å; R500-D549 IonicContact NH2-OD2 2.86Å; D549-H551 VanDerWaalsContact C-N 3.28Å; D549-H551 PolarHBondContact O-N 2.98Å; D549-L552 PolarHBondContact O-N 3.32Å; D549-L553 WeakPolarHBondContact O-CB 3.41Å; D549-L553 PolarHBondContact O-N 3.09Å
550	N	98.3	Very high	96	Very high	5 Å²	5	13.9 Å²	13.9	3%	0.027	7%	0.07	C	C	.	.	H	α-helix	trans	-61.9	-35.9	176.6	-81.1	-29	0	0	0	112.6	W91 V92 W96 V496 D497 G554	W91-N550 HydrophobicContact CH2-CB 4.29Å; W91-N550 WeakPolarHBondContact CH2-O 3.29Å; W91-N550 WeakPolarHBondContact CZ3-O 3.23Å; V92-N550 HydrophobicContact CG1-CB 4.25Å; V92-N550 HydrophobicContact CG2-CB 3.92Å; W96-N550 VanDerWaalsContact CD1-OD1 3.25Å; V496-N550 PolarHBondContact O-ND2 2.89Å; V496-N550 VanDerWaalsContact O-ND2 3.16Å; D497-N550 VanDerWaalsContact CB-ND2 3.3Å; D497-N550 WeakPolarHBondContact CB-ND2 3.46Å; D497-N550 WeakPolarHBondContact OD2-CB 3.49Å; D497-N550 PolarHBondContact OD2-ND2 3.38Å; N550-G554 PolarHBondContact O-N 3.48Å
551	H	98.6	Very high	96.3	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-69.9	-46.9	179.4	-169.1	-167.4	0	0	0	111.9	P35 T40 Q78 V548 D549 L553 G554 L555	P35-H551 HydrophobicContact CB-CB 4.44Å; P35-H551 HydrophobicContact CG-CB 3.9Å; P35-H551 PolarHBondContact O-CE1 2.95Å; T40-H551 WeakPolarHBondContact CB-ND1 3.45Å; T40-H551 HydrophobicContact CG2-CB 4.02Å; T40-H551 PolarHBondContact OG1-ND1 3.45Å; Q78-H551 PolarHBondContact OE1-NE2 3.17Å; V548-H551 PolarHBondContact O-N 3.45Å; D549-H551 VanDerWaalsContact C-N 3.28Å; D549-H551 PolarHBondContact O-N 2.98Å; H551-L553 VanDerWaalsContact C-N 3.28Å; H551-L553 PolarHBondContact O-N 3.11Å; H551-G554 PolarHBondContact O-N 3.29Å; H551-G554 VanDerWaalsContact O-N 3.11Å; H551-L555 WeakPolarHBondContact O-CG 3.39Å; H551-L555 PolarHBondContact O-N 3.09Å
552	L	98.7	Very high	96.7	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.026	11%	0.109	C	C	.	.	H	α-helix	trans	-62.2	-38	175.2	-67.7	-177.1	0	0	0	111.5	T40 Y44 V548 D549 L555 R556 F570 Y575	T40-L552 HydrophobicContact CG2-CD2 3.89Å; T40-L552 HydrophobicContact CG2-CG 4.04Å; Y44-L552 HydrophobicContact CD2-CD1 3.63Å; Y44-L552 HydrophobicContact CE2-CD1 4.26Å; Y44-L552 HydrophobicContact CG-CD1 3.92Å; V548-L552 HydrophobicContact CG1-CD1 3.6Å; V548-L552 HydrophobicContact CG1-CG 3.96Å; V548-L552 WeakPolarHBondContact O-CG 3.44Å; V548-L552 PolarHBondContact O-N 2.8Å; D549-L552 PolarHBondContact O-N 3.32Å; L552-L555 HydrophobicContact CD2-CD1 4.45Å; L552-R556 VanDerWaalsContact O-CB 3.31Å; L552-R556 WeakPolarHBondContact O-CB 3.35Å; L552-R556 PolarHBondContact O-N 2.89Å; L552-F570 HydrophobicContact CB-CE1 4.29Å; L552-F570 HydrophobicContact CD2-CE1 4.4Å; L552-F570 WeakPolarHBondContact O-CE1 3.37Å; L552-Y575 HydrophobicContact CB-CE2 4.18Å; L552-Y575 HydrophobicContact CD1-CD2 4.44Å; L552-Y575 HydrophobicContact CD1-CE2 4Å
553	L	98.5	Very high	96.7	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.031	15%	0.147	C	C	.	.	H	α-helix	trans	-59.8	-48.5	170.7	177.1	63.9	0	0	0	111.1	V92 W95 W96 D99 D549 H551 L555 R556 Q557	V92-L553 HydrophobicContact CG2-CD2 4.16Å; W95-L553 HydrophobicContact CB-CD2 4.38Å; W96-L553 HydrophobicContact CB-CD2 4.09Å; D99-L553 HydrophobicContact CB-CD1 4.13Å; D99-L553 HydrophobicContact CB-CD2 4.35Å; D549-L553 WeakPolarHBondContact O-CB 3.41Å; D549-L553 PolarHBondContact O-N 3.09Å; H551-L553 VanDerWaalsContact C-N 3.28Å; H551-L553 PolarHBondContact O-N 3.11Å; L553-L555 PolarHBondContact O-N 3.27Å; L553-R556 VanDerWaalsContact CD1-NH2 3.28Å; L553-R556 WeakPolarHBondContact O-CB 3.32Å; L553-R556 PolarHBondContact O-N 2.92Å; L553-Q557 HydrophobicContact CD1-CG 3.7Å; L553-Q557 HydrophobicContact CG-CG 4.18Å; L553-Q557 WeakPolarHBondContact O-CB 3.44Å; L553-Q557 VanDerWaalsContact O-CG 3.23Å; L553-Q557 WeakPolarHBondContact O-CG 3.37Å; L553-Q557 PolarHBondContact O-N 3.08Å
554	G	98.7	Very high	96.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-57.4	-47.3	177.8	0	0	0	0	0	113.2	N550 H551 R556 Q557 I558	N550-G554 PolarHBondContact O-N 3.48Å; H551-G554 PolarHBondContact O-N 3.29Å; H551-G554 VanDerWaalsContact O-N 3.11Å; G554-R556 VanDerWaalsContact C-N 3.32Å; G554-R556 PolarHBondContact O-N 2.82Å; G554-Q557 PolarHBondContact O-N 3.12Å; G554-I558 WeakPolarHBondContact O-CB 3.19Å; G554-I558 WeakPolarHBondContact O-CG2 3.44Å; G554-I558 PolarHBondContact O-N 2.8Å
555	L	98.9	Very high	97	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63	-38.5	177	-68.3	170.5	0	0	0	111.9	L37 F67 L77 Q78 L81 H551 L552 L553 I558 A559 F570	L37-L555 HydrophobicContact CD1-CD1 3.81Å; F67-L555 HydrophobicContact CE1-CD1 4.31Å; L77-L555 HydrophobicContact CB-CD2 3.9Å; Q78-L555 HydrophobicContact CB-CD2 4.34Å; L81-L555 HydrophobicContact CD2-CD2 4.14Å; L81-L555 HydrophobicContact CD2-CG 4.26Å; H551-L555 WeakPolarHBondContact O-CG 3.39Å; H551-L555 PolarHBondContact O-N 3.09Å; L552-L555 HydrophobicContact CD2-CD1 4.45Å; L553-L555 PolarHBondContact O-N 3.27Å; L555-I558 WeakPolarHBondContact O-CG2 3.35Å; L555-A559 PolarHBondContact O-N 3.22Å; L555-F570 HydrophobicContact CB-CE2 4.45Å; L555-F570 HydrophobicContact CB-CZ 3.82Å
556	R	98.5	Very high	97.1	Very high	38 Å²	38	39.1 Å²	39.1	14%	0.143	20%	0.196	C	C	.	.	H	α-helix	trans	-64.9	-49	174.9	-169.8	-179.4	77	-157.5	11.3	111.5	D99 L552 L553 G554 A559 L560 L566 F570 Y575	D99-R556 IonicContact OD1-CZ 2.96Å; D99-R556 IonicContact OD1-NH2 3.28Å; D99-R556 PolarHBondContact OD1-NH2 2.9Å; D99-R556 IonicContact OD2-NH2 2.76Å; L552-R556 VanDerWaalsContact O-CB 3.31Å; L552-R556 WeakPolarHBondContact O-CB 3.35Å; L552-R556 PolarHBondContact O-N 2.89Å; L553-R556 VanDerWaalsContact CD1-NH2 3.28Å; L553-R556 WeakPolarHBondContact O-CB 3.32Å; L553-R556 PolarHBondContact O-N 2.92Å; G554-R556 VanDerWaalsContact C-N 3.32Å; G554-R556 PolarHBondContact O-N 2.82Å; R556-A559 WeakPolarHBondContact O-CB 3.38Å; R556-A559 PolarHBondContact O-N 3.16Å; R556-L560 WeakPolarHBondContact O-CG 3.24Å; R556-L560 PolarHBondContact O-N 2.96Å; R556-L566 HydrophobicContact CG-CD1 3.73Å; R556-F570 HydrophobicContact CB-CD1 4.14Å; R556-F570 HydrophobicContact CB-CD2 4.15Å; R556-F570 HydrophobicContact CB-CE1 4.03Å; R556-F570 HydrophobicContact CB-CE2 4.04Å; R556-F570 HydrophobicContact CB-CG 4.21Å; R556-F570 HydrophobicContact CB-CZ 3.98Å; R556-F570 HydrophobicContact CG-CB 4.37Å; R556-F570 HydrophobicContact CG-CD1 4.28Å; R556-F570 HydrophobicContact CG-CD2 4.13Å; R556-F570 HydrophobicContact CG-CG 4.01Å; R556-Y575 PolarHBondContact NH1-OH 3.36Å
557	Q	98.2	Very high	97.3	Very high	32 Å²	32	37.8 Å²	37.8	15%	0.15	19%	0.19	C	C	.	.	H	α-helix	trans	-73.7	-33.9	-174.3	-64.3	-63	-15	0	0	112.8	W95 L553 G554 A559 L560 T561	W95-Q557 HydrophobicContact CB-CG 4.07Å; W95-Q557 HydrophobicContact CD2-CB 3.46Å; W95-Q557 VanDerWaalsContact CD2-CB 3.46Å; W95-Q557 HydrophobicContact CD2-CG 3.97Å; W95-Q557 HydrophobicContact CE3-CB 3.71Å; W95-Q557 HydrophobicContact CE3-CG 4.33Å; W95-Q557 HydrophobicContact CG-CB 3.87Å; W95-Q557 HydrophobicContact CG-CG 3.86Å; W95-Q557 HydrophobicContact CH2-CB 4.19Å; W95-Q557 HydrophobicContact CZ2-CB 3.97Å; W95-Q557 HydrophobicContact CZ3-CB 4.07Å; L553-Q557 HydrophobicContact CD1-CG 3.7Å; L553-Q557 HydrophobicContact CG-CG 4.18Å; L553-Q557 WeakPolarHBondContact O-CB 3.44Å; L553-Q557 VanDerWaalsContact O-CG 3.23Å; L553-Q557 WeakPolarHBondContact O-CG 3.37Å; L553-Q557 PolarHBondContact O-N 3.08Å; G554-Q557 PolarHBondContact O-N 3.12Å; Q557-A559 VanDerWaalsContact C-N 3.32Å; Q557-A559 PolarHBondContact O-N 3.21Å; Q557-L560 PolarHBondContact O-N 3.23Å; Q557-T561 WeakPolarHBondContact O-CB 3.34Å; Q557-T561 PolarHBondContact O-N 2.66Å; Q557-T561 PolarHBondContact O-OG1 3.09Å
558	I	98.6	Very high	97.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-67	-35.2	175	-160.9	68.6	0	0	0	111.2	L77 L80 L81 Y84 W95 G554 L555 T561 H562	L77-I558 HydrophobicContact CB-CG2 4.16Å; L77-I558 HydrophobicContact CD2-CG2 4.06Å; L80-I558 HydrophobicContact CB-CG1 3.75Å; L81-I558 HydrophobicContact CB-CG2 4.35Å; Y84-I558 HydrophobicContact CD2-CD1 4.28Å; Y84-I558 HydrophobicContact CG-CD1 4.05Å; W95-I558 HydrophobicContact CH2-CB 4.15Å; W95-I558 HydrophobicContact CH2-CD1 3.99Å; G554-I558 WeakPolarHBondContact O-CB 3.19Å; G554-I558 WeakPolarHBondContact O-CG2 3.44Å; G554-I558 PolarHBondContact O-N 2.8Å; L555-I558 WeakPolarHBondContact O-CG2 3.35Å; I558-T561 PolarHBondContact O-N 3.13Å; I558-H562 PolarHBondContact O-CD2 2.7Å; I558-H562 VanDerWaalsContact O-CD2 3.29Å; I558-H562 PolarHBondContact O-N 2.92Å; I558-H562 VanDerWaalsContact O-N 3.09Å
559	A	98.4	Very high	97.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.9	-48.1	172.4	0	0	0	0	0	111.5	L77 L555 R556 Q557 H562 N563 K564	L77-A559 HydrophobicContact CD1-CB 4.01Å; L77-A559 HydrophobicContact CD2-CB 3.65Å; L555-A559 PolarHBondContact O-N 3.22Å; R556-A559 WeakPolarHBondContact O-CB 3.38Å; R556-A559 PolarHBondContact O-N 3.16Å; Q557-A559 VanDerWaalsContact C-N 3.32Å; Q557-A559 PolarHBondContact O-N 3.21Å; A559-H562 CarbonylContact O-C 3.54Å; A559-H562 PolarHBondContact O-N 2.8Å; A559-N563 PolarHBondContact O-N 2.76Å; A559-K564 HydrophobicContact CB-CB 4.42Å; A559-K564 WeakPolarHBondContact O-CB 3.34Å; A559-K564 PolarHBondContact O-N 3.2Å
560	L	97.1	Very high	97.6	Very high	80 Å²	80	41 Å²	41	42%	0.419	21%	0.206	S	C	.	.	H	α-helix	trans	-63.6	-43	178	-64.6	175.6	0	0	0	112.2	R556 Q557 H562 N563 L566	R556-L560 WeakPolarHBondContact O-CG 3.24Å; R556-L560 PolarHBondContact O-N 2.96Å; Q557-L560 PolarHBondContact O-N 3.23Å; L560-H562 PolarHBondContact O-N 2.76Å; L560-N563 PolarHBondContact O-N 3.2Å; L560-L566 HydrophobicContact CD2-CD1 4.45Å
561	T	96.4	Very high	97.5	Very high	77 Å²	77	44.6 Å²	44.6	47%	0.472	22%	0.221	S	C	.	.	H	α-helix	trans	-60.7	-33.5	178.6	-58.5	0	0	0	0	111.8	Q557 I558 N563	Q557-T561 WeakPolarHBondContact O-CB 3.34Å; Q557-T561 PolarHBondContact O-N 2.66Å; Q557-T561 PolarHBondContact O-OG1 3.09Å; I558-T561 PolarHBondContact O-N 3.13Å; T561-N563 VanDerWaalsContact C-N 3.31Å
562	H	97	Very high	97.5	Very high	94 Å²	94	44.7 Å²	44.7	44%	0.435	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	13.1	176.1	-77.1	-100.3	0	0	0	113.7	I558 A559 L560 K564	I558-H562 PolarHBondContact O-CD2 2.7Å; I558-H562 VanDerWaalsContact O-CD2 3.29Å; I558-H562 PolarHBondContact O-N 2.92Å; I558-H562 VanDerWaalsContact O-N 3.09Å; A559-H562 CarbonylContact O-C 3.54Å; A559-H562 PolarHBondContact O-N 2.8Å; L560-H562 PolarHBondContact O-N 2.76Å; H562-K564 HydrophobicContact CB-CD 4.42Å; H562-K564 HydrophobicContact CB-CG 4.3Å; H562-K564 PolarHBondContact O-N 3.23Å; H562-K564 VanDerWaalsContact O-N 3.13Å
563	N	95.2	Very high	97.5	Very high	154 Å²	154	47.7 Å²	47.7	82%	0.824	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	31.2	-178.2	-58.4	-65.1	0	0	0	113.6	A559 L560 T561	A559-N563 PolarHBondContact O-N 2.76Å; L560-N563 PolarHBondContact O-N 3.2Å; T561-N563 VanDerWaalsContact C-N 3.31Å
564	K	94.5	Very high	97.4	Very high	71 Å²	71	47.6 Å²	47.6	31%	0.309	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-79.6	155.3	174.3	-70.1	176.3	169	-80.2	0	110	E76 L77 A559 H562 L566	E76-K564 WeakPolarHBondContact OE1-CE 3.42Å; E76-K564 IonicContact OE1-NZ 3.77Å; E76-K564 PolarHBondContact OE1-NZ 2.95Å; E76-K564 IonicContact OE2-NZ 3.42Å; E76-K564 PolarHBondContact OE2-NZ 3.16Å; L77-K564 HydrophobicContact CD2-CD 3.91Å; A559-K564 HydrophobicContact CB-CB 4.42Å; A559-K564 WeakPolarHBondContact O-CB 3.34Å; A559-K564 PolarHBondContact O-N 3.2Å; H562-K564 HydrophobicContact CB-CD 4.42Å; H562-K564 HydrophobicContact CB-CG 4.3Å; H562-K564 PolarHBondContact O-N 3.23Å; H562-K564 VanDerWaalsContact O-N 3.13Å; K564-L566 PolarHBondContact O-N 3.37Å
565	E	95	Very high	97.4	Very high	150 Å²	150	48 Å²	48	70%	0.701	24%	0.243	S	C	*	.	P	Polyproline II helix	trans	-60.8	137.2	166.8	-171	179.2	169.5	0	0	109.2	P567 K571	E565-P567 VanDerWaalsContact O-CD 3.24Å; E565-P567 WeakPolarHBondContact O-CD 3.21Å; E565-K571 IonicContact OE1-NZ 2.76Å; E565-K571 PolarHBondContact OE1-NZ 2.98Å
566	L	96.6	Very high	97.2	Very high	49 Å²	49	52.7 Å²	52.7	26%	0.257	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-61.5	122.2	178.3	-177	69.4	0	0	0	110	R556 L560 K564 F570 K571	R556-L566 HydrophobicContact CG-CD1 3.73Å; L560-L566 HydrophobicContact CD2-CD1 4.45Å; K564-L566 PolarHBondContact O-N 3.37Å; L566-F570 HydrophobicContact CD1-CB 3.83Å; L566-F570 HydrophobicContact CD1-CD2 3.95Å; L566-F570 HydrophobicContact CD1-CG 4.25Å; L566-F570 HydrophobicContact CD2-CB 4.16Å; L566-F570 HydrophobicContact CG-CB 3.94Å; L566-K571 HydrophobicContact CD2-CG 4Å; L566-K571 HydrophobicContact CG-CG 4.33Å; L566-K571 WeakPolarHBondContact O-CE 3.34Å; L566-K571 PolarHBondContact O-NZ 3.01Å
567	P	97.9	Very high	97.1	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.013	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-55.9	146.6	179.8	-29.1	33.1	0	0	0	113.7	F67 L77 E565 I569 F570 K571	F67-P567 HydrophobicContact CD2-CB 3.94Å; F67-P567 HydrophobicContact CE2-CB 3.68Å; F67-P567 HydrophobicContact CE2-CG 3.87Å; L77-P567 HydrophobicContact CD1-CG 3.57Å; E565-P567 VanDerWaalsContact O-CD 3.24Å; E565-P567 WeakPolarHBondContact O-CD 3.21Å; P567-I569 HydrophobicContact CB-CG2 4.09Å; P567-I569 PolarHBondContact O-N 3.47Å; P567-I569 VanDerWaalsContact O-N 3.14Å; P567-F570 HydrophobicContact CB-CD2 3.84Å; P567-F570 HydrophobicContact CB-CE2 4.09Å; P567-F570 HydrophobicContact CG-CD2 3.92Å; P567-F570 HydrophobicContact CG-CE2 3.94Å; P567-F570 PolarHBondContact O-N 2.94Å; P567-K571 PolarHBondContact O-N 3.07Å
568	N	98.2	Very high	96.9	Very high	88 Å²	88	51.2 Å²	51.2	47%	0.471	26%	0.261	S	S	.	.	H	α-helix	trans	-60.8	-27.8	-174.7	-72.9	-33	0	0	0	114.1	L63 F570 K571 D572	L63-N568 HydrophobicContact CD2-CB 3.93Å; N568-F570 PolarHBondContact O-N 2.81Å; N568-K571 PolarHBondContact O-N 2.74Å; N568-D572 PolarHBondContact O-N 3.19Å; N568-D572 VanDerWaalsContact O-N 3.15Å
569	I	97.8	Very high	96.8	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-58.3	-35.5	173.2	-170.6	175.7	0	0	0	112.1	L41 Y44 V64 F67 P567 D572 Y575	L41-I569 HydrophobicContact CD2-CD1 3.89Å; Y44-I569 HydrophobicContact CD1-CD1 4.14Å; Y44-I569 HydrophobicContact CE1-CD1 4.01Å; Y44-I569 HydrophobicContact CE1-CG1 4.11Å; V64-I569 HydrophobicContact CG2-CD1 3.75Å; V64-I569 HydrophobicContact CG2-CG1 4.41Å; F67-I569 HydrophobicContact CD1-CD1 4.32Å; F67-I569 HydrophobicContact CD1-CG2 4.3Å; F67-I569 HydrophobicContact CD2-CG2 3.89Å; F67-I569 HydrophobicContact CE1-CG2 4.46Å; F67-I569 HydrophobicContact CE2-CG2 4.07Å; F67-I569 HydrophobicContact CG-CG2 4.01Å; F67-I569 HydrophobicContact CZ-CG2 4.34Å; P567-I569 HydrophobicContact CB-CG2 4.09Å; P567-I569 PolarHBondContact O-N 3.47Å; P567-I569 VanDerWaalsContact O-N 3.14Å; I569-D572 VanDerWaalsContact O-CB 3.3Å; I569-D572 WeakPolarHBondContact O-CB 3.27Å; I569-Y575 VanDerWaalsContact O-CB 3.27Å; I569-Y575 WeakPolarHBondContact O-CB 3.48Å
570	F	98	Very high	96.7	Very high	9 Å²	9	59.7 Å²	59.7	4%	0.039	30%	0.297	C	S	.	.	H	α-helix	trans	-85.7	-15.6	-179.9	-56.2	-56.5	0	0	0	113.4	F67 L552 L555 R556 L566 P567 N568 D572 Y575	F67-F570 HydrophobicContact CZ-CE2 4.36Å; F67-F570 HydrophobicContact CZ-CZ 4.43Å; L552-F570 HydrophobicContact CB-CE1 4.29Å; L552-F570 HydrophobicContact CD2-CE1 4.4Å; L552-F570 WeakPolarHBondContact O-CE1 3.37Å; L555-F570 HydrophobicContact CB-CE2 4.45Å; L555-F570 HydrophobicContact CB-CZ 3.82Å; R556-F570 HydrophobicContact CB-CD1 4.14Å; R556-F570 HydrophobicContact CB-CD2 4.15Å; R556-F570 HydrophobicContact CB-CE1 4.03Å; R556-F570 HydrophobicContact CB-CE2 4.04Å; R556-F570 HydrophobicContact CB-CG 4.21Å; R556-F570 HydrophobicContact CB-CZ 3.98Å; R556-F570 HydrophobicContact CG-CB 4.37Å; R556-F570 HydrophobicContact CG-CD1 4.28Å; R556-F570 HydrophobicContact CG-CD2 4.13Å; R556-F570 HydrophobicContact CG-CG 4.01Å; L566-F570 HydrophobicContact CD1-CB 3.83Å; L566-F570 HydrophobicContact CD1-CD2 3.95Å; L566-F570 HydrophobicContact CD1-CG 4.25Å; L566-F570 HydrophobicContact CD2-CB 4.16Å; L566-F570 HydrophobicContact CG-CB 3.94Å; P567-F570 HydrophobicContact CB-CD2 3.84Å; P567-F570 HydrophobicContact CB-CE2 4.09Å; P567-F570 HydrophobicContact CG-CD2 3.92Å; P567-F570 HydrophobicContact CG-CE2 3.94Å; P567-F570 PolarHBondContact O-N 2.94Å; N568-F570 PolarHBondContact O-N 2.81Å; F570-D572 VanDerWaalsContact C-N 3.35Å; F570-Y575 HydrophobicContact CB-CD1 4.29Å; F570-Y575 HydrophobicContact CB-CE1 4.22Å; F570-Y575 HydrophobicContact CD1-CD1 4.21Å; F570-Y575 HydrophobicContact CD1-CD2 4.27Å; F570-Y575 AromaticContact CD1-CE1 3.78Å; F570-Y575 HydrophobicContact CD1-CE1 3.78Å; F570-Y575 AromaticContact CD1-CE2 3.86Å; F570-Y575 HydrophobicContact CD1-CE2 3.86Å; F570-Y575 HydrophobicContact CD1-CG 4.44Å; F570-Y575 AromaticContact CD1-CZ 3.59Å; F570-Y575 HydrophobicContact CE1-CE2 4.2Å; F570-Y575 HydrophobicContact CG-CE1 4.47Å; F570-Y575 WeakPolarHBondContact O-CD1 3.4Å
571	K	97.6	Very high	96.7	Very high	79 Å²	79	56.7 Å²	56.7	34%	0.343	28%	0.28	S	S	.	.	H	α-helix	trans	-85.7	-11.2	171.1	-63.7	170.6	175.3	150.8	0	112.3	E565 L566 P567 N568 P573	E565-K571 IonicContact OE1-NZ 2.76Å; E565-K571 PolarHBondContact OE1-NZ 2.98Å; L566-K571 HydrophobicContact CD2-CG 4Å; L566-K571 HydrophobicContact CG-CG 4.33Å; L566-K571 WeakPolarHBondContact O-CE 3.34Å; L566-K571 PolarHBondContact O-NZ 3.01Å; P567-K571 PolarHBondContact O-N 3.07Å; N568-K571 PolarHBondContact O-N 2.74Å; K571-P573 WeakPolarHBondContact O-CD 3.49Å
572	D	98.1	Very high	96.8	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.011	27%	0.266	C	S	.	.			trans	-64.2	126.8	-178.5	-173.1	2.4	0	0	0	111.3	R59 T60 L63 N568 I569 F570 S574 Y575 M576	R59-D572 IonicContact CZ-OD1 2.7Å; R59-D572 IonicContact NH1-OD1 3.26Å; R59-D572 PolarHBondContact NH1-OD1 2.87Å; R59-D572 IonicContact NH2-OD1 3.25Å; R59-D572 PolarHBondContact NH2-OD1 2.86Å; T60-D572 WeakPolarHBondContact CB-OD2 3.34Å; T60-D572 WeakPolarHBondContact CG2-OD2 3.41Å; T60-D572 PolarHBondContact OG1-OD2 3.42Å; L63-D572 HydrophobicContact CD1-CB 3.83Å; N568-D572 PolarHBondContact O-N 3.19Å; N568-D572 VanDerWaalsContact O-N 3.15Å; I569-D572 VanDerWaalsContact O-CB 3.3Å; I569-D572 WeakPolarHBondContact O-CB 3.27Å; F570-D572 VanDerWaalsContact C-N 3.35Å; D572-S574 PolarHBondContact O-N 2.87Å; D572-S574 VanDerWaalsContact O-N 3.13Å; D572-S574 PolarHBondContact OD1-N 3.36Å; D572-S574 WeakPolarHBondContact OD2-CB 3.48Å; D572-Y575 WeakPolarHBondContact O-CB 3.34Å; D572-Y575 PolarHBondContact O-N 3.19Å; D572-M576 PolarHBondContact O-N 2.81Å; D572-M576 VanDerWaalsContact O-N 3.12Å
573	P	97.8	Very high	96.8	Very high	69 Å²	69	50.7 Å²	50.7	45%	0.448	25%	0.245	S	C	.	.	H	α-helix	trans	-47.1	-34.8	167.1	-31.1	34.9	0	0	0	115.1	K571 M576 E577	K571-P573 WeakPolarHBondContact O-CD 3.49Å; P573-M576 HydrophobicContact CB-CE 4.32Å; P573-M576 HydrophobicContact CG-CE 4.21Å; P573-M576 PolarHBondContact O-N 3.03Å; P573-E577 WeakPolarHBondContact O-CB 3.33Å; P573-E577 PolarHBondContact O-N 3.14Å
574	S	97.9	Very high	97	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-66.1	-37.3	176.7	-54.9	0	0	0	0	112.2	T60 D572 S578	T60-S574 WeakPolarHBondContact OG1-CB 3.19Å; T60-S574 PolarHBondContact OG1-OG 3.35Å; D572-S574 PolarHBondContact O-N 2.87Å; D572-S574 VanDerWaalsContact O-N 3.13Å; D572-S574 PolarHBondContact OD1-N 3.36Å; D572-S574 WeakPolarHBondContact OD2-CB 3.48Å; S574-S578 WeakPolarHBondContact O-CB 3.33Å; S574-S578 PolarHBondContact O-N 3.45Å
575	Y	97.9	Very high	97.2	Very high	10 Å²	10	40.4 Å²	40.4	4%	0.039	19%	0.194	C	C	.	.	H	α-helix	trans	-66.8	-45.6	175.1	177.3	-103.3	0	0	0	110.5	Y44 L552 R556 I569 F570 D572 E577 S578 N579	Y44-Y575 HydrophobicContact CE2-CD2 4.08Å; Y44-Y575 WeakPolarHBondContact OH-CA 3.4Å; Y44-Y575 WeakPolarHBondContact OH-CB 3.31Å; Y44-Y575 PolarHBondContact OH-N 3.16Å; L552-Y575 HydrophobicContact CB-CE2 4.18Å; L552-Y575 HydrophobicContact CD1-CD2 4.44Å; L552-Y575 HydrophobicContact CD1-CE2 4Å; R556-Y575 PolarHBondContact NH1-OH 3.36Å; I569-Y575 VanDerWaalsContact O-CB 3.27Å; I569-Y575 WeakPolarHBondContact O-CB 3.48Å; F570-Y575 HydrophobicContact CB-CD1 4.29Å; F570-Y575 HydrophobicContact CB-CE1 4.22Å; F570-Y575 HydrophobicContact CD1-CD1 4.21Å; F570-Y575 HydrophobicContact CD1-CD2 4.27Å; F570-Y575 AromaticContact CD1-CE1 3.78Å; F570-Y575 HydrophobicContact CD1-CE1 3.78Å; F570-Y575 AromaticContact CD1-CE2 3.86Å; F570-Y575 HydrophobicContact CD1-CE2 3.86Å; F570-Y575 HydrophobicContact CD1-CG 4.44Å; F570-Y575 AromaticContact CD1-CZ 3.59Å; F570-Y575 HydrophobicContact CE1-CE2 4.2Å; F570-Y575 HydrophobicContact CG-CE1 4.47Å; F570-Y575 WeakPolarHBondContact O-CD1 3.4Å; D572-Y575 WeakPolarHBondContact O-CB 3.34Å; D572-Y575 PolarHBondContact O-N 3.19Å; Y575-E577 PolarHBondContact O-N 3.04Å; Y575-S578 PolarHBondContact O-N 2.86Å; Y575-S578 PolarHBondContact O-OG 3.04Å; Y575-N579 WeakPolarHBondContact CE2-ND2 3.42Å; Y575-N579 PolarHBondContact O-N 2.78Å; Y575-N579 PolarHBondContact O-ND2 2.98Å
576	M	94.8	Very high	97.2	Very high	97 Å²	97	34.4 Å²	34.4	48%	0.478	17%	0.169	S	C	.	.	H	α-helix	trans	-60.2	-45.2	176.1	-67.3	-171.8	-74.9	0	0	111.9	D572 P573 N579 R580	D572-M576 PolarHBondContact O-N 2.81Å; D572-M576 VanDerWaalsContact O-N 3.12Å; P573-M576 HydrophobicContact CB-CE 4.32Å; P573-M576 HydrophobicContact CG-CE 4.21Å; P573-M576 PolarHBondContact O-N 3.03Å; M576-N579 PolarHBondContact O-N 3.41Å; M576-R580 PolarHBondContact O-N 3.35Å
577	E	95.4	Very high	97.1	Very high	37 Å²	37	35.6 Å²	35.6	17%	0.173	17%	0.173	C	C	.	.	H	α-helix	trans	-63.9	-40.9	176.8	-177.4	57.2	-150.1	0	0	111.3	P481 P573 Y575 N579 R580 R582	P481-E577 WeakPolarHBondContact CG-O 3.43Å; P573-E577 WeakPolarHBondContact O-CB 3.33Å; P573-E577 PolarHBondContact O-N 3.14Å; Y575-E577 PolarHBondContact O-N 3.04Å; E577-N579 PolarHBondContact O-N 3.31Å; E577-N579 VanDerWaalsContact O-N 3.14Å; E577-R580 WeakPolarHBondContact O-CB 3.37Å; E577-R580 PolarHBondContact O-N 3.35Å; E577-R580 IonicContact OE2-NH1 3.35Å; E577-R582 IonicContact OE1-CZ 3.69Å; E577-R582 IonicContact OE1-NE 2.74Å; E577-R582 PolarHBondContact OE1-NE 3Å; E577-R582 IonicContact OE1-NH2 2.68Å; E577-R582 PolarHBondContact OE1-NH2 3.3Å; E577-R582 IonicContact OE2-NH2 3.94Å; E577-R582 PolarHBondContact OE2-NH2 3.45Å
578	S	95.9	Very high	96.8	Very high	3 Å²	3	36 Å²	36	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-60.6	-25.8	177.7	79.3	0	0	0	0	113.6	R500 S574 Y575	R500-S578 PolarHBondContact NH1-O 2.54Å; R500-S578 PolarHBondContact NH2-O 3.43Å; S574-S578 WeakPolarHBondContact O-CB 3.33Å; S574-S578 PolarHBondContact O-N 3.45Å; Y575-S578 PolarHBondContact O-N 2.86Å; Y575-S578 PolarHBondContact O-OG 3.04Å
579	N	95.3	Very high	96.5	Very high	48 Å²	48	34.2 Å²	34.2	26%	0.257	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-2.6	176.3	-70.5	-73.7	0	0	0	113.1	Y575 M576 E577 F581	Y575-N579 WeakPolarHBondContact CE2-ND2 3.42Å; Y575-N579 PolarHBondContact O-N 2.78Å; Y575-N579 PolarHBondContact O-ND2 2.98Å; M576-N579 PolarHBondContact O-N 3.41Å; E577-N579 PolarHBondContact O-N 3.31Å; E577-N579 VanDerWaalsContact O-N 3.14Å; N579-F581 PolarHBondContact O-N 3.42Å
580	R	95.9	Very high	96.2	Very high	130 Å²	130	34.5 Å²	34.5	49%	0.491	17%	0.17	S	C	.	.			trans	-87	86.3	169.7	-70	176.6	176.8	-177	-3.4	109.2	P481 M576 E577 R582	P481-R580 WeakPolarHBondContact CB-O 3.45Å; M576-R580 PolarHBondContact O-N 3.35Å; E577-R580 WeakPolarHBondContact O-CB 3.37Å; E577-R580 PolarHBondContact O-N 3.35Å; E577-R580 IonicContact OE2-NH1 3.35Å; R580-R582 PolarHBondContact O-N 2.88Å
581	F	97.3	Very high	95.7	Very high	16 Å²	16	39.2 Å²	39.2	7%	0.07	20%	0.2	C	C	.	.			trans	-68.3	77	178.7	-58.3	-66.5	0	0	0	112.2	P481 Y483 N498 R500 N579 L583 V601	P481-F581 CarbonylContact O-C 3.51Å; P481-F581 WeakPolarHBondContact O-CA 3.17Å; Y483-F581 VanDerWaalsContact CB-CD1 3.49Å; Y483-F581 HydrophobicContact CD2-CD2 4.37Å; Y483-F581 HydrophobicContact CD2-CE1 4.43Å; Y483-F581 HydrophobicContact CD2-CE2 4.25Å; Y483-F581 HydrophobicContact CD2-CZ 4.29Å; Y483-F581 HydrophobicContact CG-CG 4.5Å; N498-F581 VanDerWaalsContact ND2-CZ 3.28Å; N498-F581 WeakPolarHBondContact ND2-CZ 3.43Å; R500-F581 VanDerWaalsContact NH1-CE1 3.34Å; N579-F581 PolarHBondContact O-N 3.42Å; F581-L583 PolarHBondContact O-N 3.48Å; F581-V601 HydrophobicContact CB-CG2 4.06Å; F581-V601 WeakPolarHBondContact O-CG2 3.38Å
582	R	98	Very high	95.3	Very high	45 Å²	45	36.5 Å²	36.5	17%	0.17	19%	0.189	C	C	.	.	S	Bend	trans	-67.3	-13.7	179.2	-56	-178.8	-167.3	-168.8	-2.2	112.8	V480 P481 E577 R580 V602 N604 G605 Y606	V480-R582 HydrophobicContact CB-CB 3.88Å; V480-R582 HydrophobicContact CG1-CB 4.17Å; V480-R582 HydrophobicContact CG2-CB 3.96Å; P481-R582 PolarHBondContact O-N 3.24Å; E577-R582 IonicContact OE1-CZ 3.69Å; E577-R582 IonicContact OE1-NE 2.74Å; E577-R582 PolarHBondContact OE1-NE 3Å; E577-R582 IonicContact OE1-NH2 2.68Å; E577-R582 PolarHBondContact OE1-NH2 3.3Å; E577-R582 IonicContact OE2-NH2 3.94Å; E577-R582 PolarHBondContact OE2-NH2 3.45Å; R580-R582 PolarHBondContact O-N 2.88Å; R582-V602 HydrophobicContact CB-CG2 4.27Å; R582-V602 HydrophobicContact CG-CG2 4.09Å; R582-N604 VanDerWaalsContact CZ-ND2 3.27Å; R582-N604 PolarHBondContact NE-ND2 3.02Å; R582-G605 CarbonylContact O-C 3.58Å; R582-G605 WeakPolarHBondContact O-CA 3.46Å; R582-Y606 PolarHBondContact O-N 2.88Å
583	L	98.7	Very high	94.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	108.5	163.7	-178.9	59.2	0	0	0	108.1	L468 V480 P481 T482 Y483 F581 T585 Y606 A608 F635	L468-L583 HydrophobicContact CB-CD2 4.23Å; V480-L583 HydrophobicContact CG2-CB 3.83Å; P481-L583 PolarHBondContact O-N 3.04Å; T482-L583 CarbonylContact C-O 3.55Å; T482-L583 VanDerWaalsContact CA-O 3.26Å; T482-L583 WeakPolarHBondContact CA-O 3.39Å; T482-L583 HydrophobicContact CG2-CB 4.22Å; T482-L583 HydrophobicContact CG2-CD2 4.07Å; T482-L583 HydrophobicContact CG2-CG 4.04Å; Y483-L583 PolarHBondContact N-O 3.42Å; F581-L583 PolarHBondContact O-N 3.48Å; L583-T585 HydrophobicContact CD1-CG2 4.02Å; L583-T585 HydrophobicContact CD2-CG2 4.26Å; L583-T585 HydrophobicContact CG-CG2 3.69Å; L583-Y606 WeakPolarHBondContact CA-O 3.47Å; L583-A608 HydrophobicContact CD1-CB 4.44Å; L583-F635 HydrophobicContact CD1-CZ 4.21Å
584	S	98.4	Very high	94.6	Very high	9 Å²	9	37.2 Å²	37.2	6%	0.063	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	113.6	177.4	179.6	0	0	0	0	110.4	Y598 Y606 G607 A608	S584-Y598 PolarHBondContact O-OH 3.24Å; S584-Y606 PolarHBondContact N-O 2.95Å; S584-G607 CarbonylContact O-C 3.5Å; S584-G607 WeakPolarHBondContact O-CA 3.29Å; S584-A608 PolarHBondContact O-N 2.52Å
585	T	98.4	Very high	94.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	144.9	-170.5	74.9	0	0	0	0	111	Q465 L468 T482 Y483 L583 A608	Q465-T585 PolarHBondContact NE2-OG1 3.47Å; Q465-T585 PolarHBondContact OE1-OG1 3.14Å; L468-T585 HydrophobicContact CD1-CG2 3.81Å; T482-T585 HydrophobicContact CG2-CG2 4.03Å; Y483-T585 WeakPolarHBondContact O-CB 3.26Å; Y483-T585 PolarHBondContact O-N 2.93Å; Y483-T585 PolarHBondContact O-OG1 3.2Å; L583-T585 HydrophobicContact CD1-CG2 4.02Å; L583-T585 HydrophobicContact CD2-CG2 4.26Å; L583-T585 HydrophobicContact CG-CG2 3.69Å; T585-A608 VanDerWaalsContact CA-O 3.29Å; T585-A608 WeakPolarHBondContact CA-O 3.47Å; T585-A608 HydrophobicContact CG2-CB 4.3Å
586	S	95.9	Very high	94.4	Very high	24 Å²	24	37.3 Å²	37.3	17%	0.168	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	125.5	175.9	-163.4	0	0	0	0	111	S485 V588 Y598 A608 A609 Y610	S485-S586 PolarHBondContact OG-OG 2.88Å; S586-V588 PolarHBondContact O-N 2.98Å; S586-Y598 WeakPolarHBondContact CB-OH 3.37Å; S586-Y598 PolarHBondContact N-OH 2.64Å; S586-A608 PolarHBondContact N-O 3.36Å; S586-A608 VanDerWaalsContact N-O 3.08Å; S586-A609 CarbonylContact O-C 3.46Å; S586-A609 WeakPolarHBondContact O-CA 3.49Å; S586-Y610 WeakPolarHBondContact O-CD1 3.45Å; S586-Y610 PolarHBondContact O-N 2.85Å
587	Q	95.2	Very high	94.5	Very high	75 Å²	75	32.7 Å²	32.7	35%	0.35	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	118.9	168.3	-167.2	-175.9	57.8	0	0	108.8	D461 P589 Y610 P612	D461-Q587 PolarHBondContact OD1-NE2 3.17Å; D461-Q587 VanDerWaalsContact OD1-NE2 3.09Å; Q587-P589 VanDerWaalsContact O-CD 3.32Å; Q587-P589 WeakPolarHBondContact O-CD 3.48Å; Q587-Y610 CarbonylContact C-O 3.51Å; Q587-Y610 WeakPolarHBondContact CA-O 3.33Å; Q587-Y610 HydrophobicContact CB-CD2 4.23Å; Q587-Y610 HydrophobicContact CB-CE1 4.45Å; Q587-Y610 HydrophobicContact CB-CE2 3.53Å; Q587-Y610 HydrophobicContact CG-CD2 4.05Å; Q587-Y610 HydrophobicContact CG-CE2 3.59Å; Q587-P612 HydrophobicContact CG-CG 4.4Å
588	V	91.3	Very high	94.6	Very high	11 Å²	11	32.3 Å²	32.3	7%	0.067	16%	0.164	C	C	.	.			trans	-120.2	79	178.4	-169.6	0	0	0	0	108.4	V379 S586 T590 M596 Y610 N611	V379-V588 HydrophobicContact CG2-CG1 3.56Å; S586-V588 PolarHBondContact O-N 2.98Å; V588-T590 PolarHBondContact O-N 3.44Å; V588-M596 HydrophobicContact CB-CB 4.1Å; V588-M596 HydrophobicContact CG1-CB 3.86Å; V588-M596 HydrophobicContact CG1-CE 4.26Å; V588-M596 HydrophobicContact CG1-CG 4.45Å; V588-M596 HydrophobicContact CG2-CB 4Å; V588-M596 HydrophobicContact CG2-CG 4.32Å; V588-Y610 PolarHBondContact N-O 3.24Å; V588-N611 WeakPolarHBondContact O-CB 3.37Å
589	P	90.4	Very high	94.7	Very high	50 Å²	50	32.2 Å²	32.2	33%	0.325	16%	0.164	S	C	.	.			trans	-73	124.5	-171.8	29.6	-33.5	0	0	0	110.7	V379 Q587 N611	V379-P589 WeakPolarHBondContact CG1-O 3.2Å; Q587-P589 VanDerWaalsContact O-CD 3.32Å; Q587-P589 WeakPolarHBondContact O-CD 3.48Å; P589-N611 WeakPolarHBondContact CA-OD1 3.45Å
590	T	91.6	Very high	94.8	Very high	7 Å²	7	30 Å²	30	4%	0.043	15%	0.152	C	C	.	.			trans	-139.5	145.4	169.4	174.5	0	0	0	0	109.9	E383 V588 M592 A594 N611 H613	E383-T590 PolarHBondContact OE1-OG1 3.28Å; V588-T590 PolarHBondContact O-N 3.44Å; T590-M592 VanDerWaalsContact C-N 3.28Å; T590-M592 PolarHBondContact OG1-N 2.92Å; T590-A594 HydrophobicContact CG2-CB 4.08Å; T590-A594 WeakPolarHBondContact CG2-O 3.24Å; T590-N611 WeakPolarHBondContact CG2-ND2 3.11Å; T590-N611 PolarHBondContact N-ND2 3.21Å; T590-N611 PolarHBondContact N-OD1 3.43Å; T590-N611 PolarHBondContact O-ND2 2.99Å; T590-N611 PolarHBondContact O-OD1 3.43Å; T590-H613 PolarHBondContact O-CE1 2.81Å; T590-H613 VanDerWaalsContact O-CE1 3.3Å
591	T	88.2	Confident	94.8	Very high	109 Å²	109	27.5 Å²	27.5	67%	0.669	15%	0.151	S	C	*	.	S	Bend	trans	-81.4	-13	177	56.1	0	0	0	0	112.9	E383	E383-T591 PolarHBondContact OE1-N 3.46Å; E383-T591 PolarHBondContact OE1-OG1 3.3Å
592	M	88.3	Confident	94.7	Very high	22 Å²	22	27.9 Å²	27.9	11%	0.108	16%	0.155	C	C	.	.	S	Bend	trans	-85.9	160	-177.8	-55.2	-177.4	-63.5	0	0	111.2	M116 P119 I382 E383 L386 T590 A594 H613	M116-M592 HydrophobicContact CE-CE 4.27Å; P119-M592 HydrophobicContact CG-CB 4.16Å; I382-M592 HydrophobicContact CG2-CE 3.99Å; E383-M592 HydrophobicContact CB-CE 4.26Å; E383-M592 HydrophobicContact CG-CE 3.4Å; E383-M592 VanDerWaalsContact CG-CE 3.4Å; E383-M592 HydrophobicContact CG-CG 4.28Å; E383-M592 HydrophobicContact CG-SD 3.92Å; L386-M592 HydrophobicContact CB-SD 4.19Å; L386-M592 HydrophobicContact CD1-CE 3.87Å; L386-M592 HydrophobicContact CD1-SD 3.54Å; L386-M592 VanDerWaalsContact CD1-SD 3.54Å; L386-M592 HydrophobicContact CG-SD 4.48Å; T590-M592 VanDerWaalsContact C-N 3.28Å; T590-M592 PolarHBondContact OG1-N 2.92Å; M592-A594 HydrophobicContact CB-CB 4.04Å; M592-A594 HydrophobicContact CE-CB 4.36Å; M592-A594 PolarHBondContact O-N 3.18Å; M592-H613 PolarHBondContact O-CE1 3.15Å
593	D	88.9	Confident	94.6	Very high	83 Å²	83	30.1 Å²	30.1	44%	0.444	18%	0.175	S	C	.	.	S	Bend	trans	-72.3	71.5	163.2	-175	25.4	0	0	0	109.4	P119 R444	P119-D593 WeakPolarHBondContact CA-O 3.27Å; R444-D593 IonicContact CZ-OD1 3.67Å; R444-D593 IonicContact NH1-OD1 3.48Å; R444-D593 PolarHBondContact NH1-OD1 2.98Å; R444-D593 IonicContact NH2-OD1 2.8Å; R444-D593 PolarHBondContact NH2-OD1 2.95Å; R444-D593 VanDerWaalsContact NH2-OD1 3.14Å
594	A	93	Very high	94.5	Very high	2 Å²	2	32.4 Å²	32.4	2%	0.017	19%	0.188	C	C	.	.			trans	-140.4	148.9	-178	0	0	0	0	0	108.5	M116 V117 T590 M592	M116-A594 HydrophobicContact CE-CB 3.92Å; V117-A594 WeakPolarHBondContact O-CA 3.25Å; V117-A594 WeakPolarHBondContact O-CB 3.21Å; T590-A594 HydrophobicContact CG2-CB 4.08Å; T590-A594 WeakPolarHBondContact CG2-O 3.24Å; M592-A594 HydrophobicContact CB-CB 4.04Å; M592-A594 HydrophobicContact CE-CB 4.36Å; M592-A594 PolarHBondContact O-N 3.18Å
595	F	95.1	Very high	94.5	Very high	8 Å²	8	32 Å²	32	4%	0.035	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	151.4	179.3	58	-95.8	0	0	0	111.1	M116 V117 D328 A332 I442 V618 V620	M116-F595 WeakPolarHBondContact CA-O 3.34Å; V117-F595 HydrophobicContact CB-CD1 4.32Å; V117-F595 HydrophobicContact CB-CD2 4.27Å; V117-F595 HydrophobicContact CB-CE1 3.93Å; V117-F595 HydrophobicContact CB-CE2 3.9Å; V117-F595 HydrophobicContact CB-CG 4.49Å; V117-F595 HydrophobicContact CB-CZ 3.72Å; V117-F595 HydrophobicContact CG1-CE1 4Å; V117-F595 HydrophobicContact CG1-CZ 3.99Å; V117-F595 HydrophobicContact CG2-CD2 4.21Å; V117-F595 HydrophobicContact CG2-CE1 4.31Å; V117-F595 HydrophobicContact CG2-CE2 3.52Å; V117-F595 HydrophobicContact CG2-CZ 3.57Å; V117-F595 PolarHBondContact N-O 3.21Å; V117-F595 PolarHBondContact O-N 3.33Å; D328-F595 HydrophobicContact CB-CE1 4.2Å; D328-F595 HydrophobicContact CB-CZ 3.87Å; A332-F595 HydrophobicContact CB-CE2 4.04Å; I442-F595 HydrophobicContact CG1-CE2 4.07Å; I442-F595 HydrophobicContact CG1-CZ 4.33Å; F595-V618 HydrophobicContact CB-CG1 4.11Å; F595-V620 HydrophobicContact CB-CG2 4.21Å; F595-V620 HydrophobicContact CD2-CG2 3.61Å; F595-V620 HydrophobicContact CE2-CG2 4.33Å; F595-V620 HydrophobicContact CG-CG2 4.19Å
596	M	96.2	Very high	94.5	Very high	8 Å²	8	32.2 Å²	32.2	4%	0.039	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	144.2	177.4	-170.3	70.3	69	0	0	109.7	P114 G115 M116 Y368 V588 A609 V620	P114-M596 HydrophobicContact CB-CG 4.26Å; P114-M596 HydrophobicContact CB-SD 3.75Å; G115-M596 CarbonylContact O-C 3.58Å; G115-M596 WeakPolarHBondContact O-CA 3.35Å; M116-M596 HydrophobicContact CB-CE 3.84Å; M116-M596 HydrophobicContact CB-SD 3.86Å; M116-M596 HydrophobicContact CG-CE 4.1Å; M116-M596 HydrophobicContact SD-CE 4Å; Y368-M596 HydrophobicContact CE1-CE 3.9Å; Y368-M596 HydrophobicContact CE1-SD 3.86Å; V588-M596 HydrophobicContact CB-CB 4.1Å; V588-M596 HydrophobicContact CG1-CB 3.86Å; V588-M596 HydrophobicContact CG1-CE 4.26Å; V588-M596 HydrophobicContact CG1-CG 4.45Å; V588-M596 HydrophobicContact CG2-CB 4Å; V588-M596 HydrophobicContact CG2-CG 4.32Å; M596-A609 VanDerWaalsContact O-CB 3.27Å; M596-A609 WeakPolarHBondContact O-CB 3.47Å; M596-V620 VanDerWaalsContact O-CG2 3.31Å; M596-V620 WeakPolarHBondContact O-CG2 3.39Å
597	C	97.1	Very high	94.6	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	146.6	176.6	59.1	0	0	0	0	110.7	P114 G115 A332 L336 V620	P114-C597 CarbonylContact C-O 3.54Å; P114-C597 WeakPolarHBondContact CA-O 3.4Å; P114-C597 WeakPolarHBondContact CB-O 3.31Å; G115-C597 PolarHBondContact N-O 2.98Å; G115-C597 PolarHBondContact O-N 3.39Å; G115-C597 PolarHBondContact O-SG 2.59Å; A332-C597 HydrophobicContact CB-CB 4.32Å; L336-C597 HydrophobicContact CD1-CB 4.23Å; L336-C597 VanDerWaalsContact CG-SG 3.56Å; C597-V620 HydrophobicContact CB-CG1 3.73Å
598	Y	97.6	Very high	94.8	Very high	28 Å²	28	27.5 Å²	27.5	11%	0.11	16%	0.161	C	C	.	.			trans	-156.3	163.6	174.2	51.8	-101.6	0	0	0	108.3	S584 S586 A608 A609 S622	S584-Y598 PolarHBondContact O-OH 3.24Å; S586-Y598 WeakPolarHBondContact CB-OH 3.37Å; S586-Y598 PolarHBondContact N-OH 2.64Å; Y598-A608 PolarHBondContact OH-O 2.75Å; Y598-A609 HydrophobicContact CD1-CB 4.23Å; Y598-A609 HydrophobicContact CE1-CB 3.57Å; Y598-S622 WeakPolarHBondContact O-CB 3.49Å; Y598-S622 PolarHBondContact O-OG 3.44Å
599	G	97.3	Very high	95.1	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.021	16%	0.159	C	C	.	.			trans	-81.2	166	177.5	0	0	0	0	0	113.8	I110 V601 S622	I110-G599 PolarHBondContact O-N 3.23Å; G599-V601 PolarHBondContact O-N 3.42Å; G599-S622 VanDerWaalsContact C-OG 3.26Å; G599-S622 WeakPolarHBondContact CA-OG 3.39Å
600	A	98	Very high	95.5	Very high	1 Å²	1	25 Å²	25	1%	0.008	15%	0.145	C	C	.	.			trans	-66.2	135.9	173.1	0	0	0	0	0	110.7	V602 G605 S622 W624	A600-V602 PolarHBondContact O-N 3.48Å; A600-G605 WeakPolarHBondContact CB-O 3.28Å; A600-S622 PolarHBondContact N-OG 2.98Å; A600-S622 VanDerWaalsContact N-OG 3.14Å; A600-W624 PolarHBondContact O-NE1 3.1Å
601	V	96	Very high	95.7	Very high	78 Å²	78	24.8 Å²	24.8	47%	0.473	14%	0.143	S	C	.	.	S	Bend	trans	-76.6	-8.2	-174.6	-59	0	0	0	0	114.1	F581 G599	F581-V601 HydrophobicContact CB-CG2 4.06Å; F581-V601 WeakPolarHBondContact O-CG2 3.38Å; G599-V601 PolarHBondContact O-N 3.42Å
602	V	96	Very high	96.2	Very high	23 Å²	23	19.8 Å²	19.8	14%	0.139	11%	0.113	C	C	.	.	S	Bend	trans	-138.4	151.5	174.2	-64.2	0	0	0	0	110.8	R582 A600 N604 G605	R582-V602 HydrophobicContact CB-CG2 4.27Å; R582-V602 HydrophobicContact CG-CG2 4.09Å; A600-V602 PolarHBondContact O-N 3.48Å; V602-N604 VanDerWaalsContact C-N 3.28Å; V602-N604 PolarHBondContact O-N 3.4Å; V602-G605 PolarHBondContact O-N 3.39Å
603	P	95.8	Very high	96.6	Very high	92 Å²	92	19.6 Å²	19.6	60%	0.597	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-33.7	-178	-27.6	35.9	0	0	0	114.7	N627 N630	P603-N627 WeakPolarHBondContact O-CB 3.47Å; P603-N630 PolarHBondContact O-ND2 2.78Å
604	N	96.3	Very high	97	Very high	49 Å²	49	18.5 Å²	18.5	26%	0.262	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	48.4	-178.3	68.2	-33.9	0	0	0	112.2	R582 V602 N627	R582-N604 VanDerWaalsContact CZ-ND2 3.27Å; R582-N604 PolarHBondContact NE-ND2 3.02Å; V602-N604 VanDerWaalsContact C-N 3.28Å; V602-N604 PolarHBondContact O-N 3.4Å; N604-N627 WeakPolarHBondContact CA-ND2 3.43Å; N604-N627 WeakPolarHBondContact CB-ND2 3.2Å
605	G	98.1	Very high	97.1	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.01	14%	0.136	C	C	.	.	S	Bend	trans	-154.4	-174.9	-177.5	0	0	0	0	0	114.4	R582 A600 V602 C623	R582-G605 CarbonylContact O-C 3.58Å; R582-G605 WeakPolarHBondContact O-CA 3.46Å; A600-G605 WeakPolarHBondContact CB-O 3.28Å; V602-G605 PolarHBondContact O-N 3.39Å; G605-C623 VanDerWaalsContact O-CB 3.3Å; G605-C623 WeakPolarHBondContact O-CB 3.46Å
606	Y	98.8	Very high	97.3	Very high	3 Å²	3	25 Å²	25	1%	0.012	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	141.6	-177.5	-60.7	-93.2	0	0	0	110.6	H476 R582 L583 S584 I621 S622 C623 N629 N630 N631 F635	H476-Y606 PolarHBondContact CE1-OH 3.4Å; H476-Y606 AromaticContact NE2-CE2 3.47Å; H476-Y606 WeakPolarHBondContact NE2-CE2 3.18Å; H476-Y606 AromaticContact NE2-CZ 3.62Å; H476-Y606 PolarHBondContact NE2-OH 3.05Å; R582-Y606 PolarHBondContact O-N 2.88Å; L583-Y606 WeakPolarHBondContact CA-O 3.47Å; S584-Y606 PolarHBondContact N-O 2.95Å; Y606-I621 HydrophobicContact CD1-CG2 4.15Å; Y606-S622 CarbonylContact C-O 3.51Å; Y606-S622 VanDerWaalsContact CA-O 3.25Å; Y606-S622 WeakPolarHBondContact CA-O 3.49Å; Y606-C623 HydrophobicContact CD1-CB 3.83Å; Y606-C623 HydrophobicContact CE1-CB 4.04Å; Y606-C623 HydrophobicContact CG-CB 4.48Å; Y606-N629 PolarHBondContact OH-O 3.19Å; Y606-N630 WeakPolarHBondContact OH-CA 3.42Å; Y606-N631 PolarHBondContact OH-N 2.62Å; Y606-F635 HydrophobicContact CD1-CB 4.09Å; Y606-F635 AromaticContact CD1-CD2 3.87Å; Y606-F635 HydrophobicContact CD1-CD2 3.87Å; Y606-F635 AromaticContact CD1-CG 3.95Å; Y606-F635 HydrophobicContact CD1-CG 3.95Å; Y606-F635 HydrophobicContact CD2-CD2 4.07Å; Y606-F635 HydrophobicContact CD2-CE2 4.14Å; Y606-F635 HydrophobicContact CE1-CB 3.72Å; Y606-F635 AromaticContact CE1-CD2 3.76Å; Y606-F635 HydrophobicContact CE1-CD2 3.76Å; Y606-F635 AromaticContact CE1-CG 3.94Å; Y606-F635 HydrophobicContact CE1-CG 3.94Å; Y606-F635 HydrophobicContact CE2-CD2 4Å; Y606-F635 HydrophobicContact CE2-CE2 4.37Å; Y606-F635 HydrophobicContact CG-CD2 4.02Å; Y606-F635 HydrophobicContact CG-CE2 4.23Å; Y606-F635 HydrophobicContact CG-CG 4.45Å; Y606-F635 AromaticContact CZ-CD2 3.84Å
607	G	98.6	Very high	97.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	138.5	160.9	0	0	0	0	0	109.2	S584 I621 S622	S584-G607 CarbonylContact O-C 3.5Å; S584-G607 WeakPolarHBondContact O-CA 3.29Å; G607-I621 CarbonylContact O-C 3.55Å; G607-I621 VanDerWaalsContact O-CA 3.29Å; G607-I621 WeakPolarHBondContact O-CA 3.43Å; G607-S622 WeakPolarHBondContact CA-OG 3.34Å; G607-S622 PolarHBondContact N-O 3.29Å; G607-S622 PolarHBondContact N-OG 3.49Å; G607-S622 PolarHBondContact O-N 2.69Å
608	A	98.6	Very high	97.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	89.4	-179.1	0	0	0	0	0	111.2	L468 L583 S584 T585 S586 Y598 V619 V620	L468-A608 HydrophobicContact CD1-CB 4.5Å; L468-A608 HydrophobicContact CD2-CB 4.1Å; L583-A608 HydrophobicContact CD1-CB 4.44Å; S584-A608 PolarHBondContact O-N 2.52Å; T585-A608 VanDerWaalsContact CA-O 3.29Å; T585-A608 WeakPolarHBondContact CA-O 3.47Å; T585-A608 HydrophobicContact CG2-CB 4.3Å; S586-A608 PolarHBondContact N-O 3.36Å; S586-A608 VanDerWaalsContact N-O 3.08Å; Y598-A608 PolarHBondContact OH-O 2.75Å; A608-V619 HydrophobicContact CB-CG1 4.5Å; A608-V620 VanDerWaalsContact CA-O 3.28Å; A608-V620 WeakPolarHBondContact CA-O 3.4Å
609	A	98	Very high	97.5	Very high	4 Å²	4	23.4 Å²	23.4	3%	0.033	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	134.2	168.8	0	0	0	0	0	109	S586 M596 Y598 V619 V620	S586-A609 CarbonylContact O-C 3.46Å; S586-A609 WeakPolarHBondContact O-CA 3.49Å; M596-A609 VanDerWaalsContact O-CB 3.27Å; M596-A609 WeakPolarHBondContact O-CB 3.47Å; Y598-A609 HydrophobicContact CD1-CB 4.23Å; Y598-A609 HydrophobicContact CE1-CB 3.57Å; A609-V619 CarbonylContact O-C 3.54Å; A609-V619 WeakPolarHBondContact O-CA 3.32Å; A609-V620 HydrophobicContact CB-CB 4.37Å; A609-V620 PolarHBondContact N-O 2.84Å; A609-V620 PolarHBondContact O-N 3.1Å
610	Y	98.2	Very high	97.5	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.016	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	146.9	179.5	59.6	-85.5	0	0	0	113.6	D461 I464 Q465 L468 S586 Q587 V588 V618	D461-Y610 PolarHBondContact OD1-OH 2.95Å; I464-Y610 HydrophobicContact CB-CD2 4.46Å; I464-Y610 HydrophobicContact CB-CE2 4.32Å; I464-Y610 HydrophobicContact CD1-CD2 4.02Å; I464-Y610 HydrophobicContact CD1-CE2 4.29Å; I464-Y610 HydrophobicContact CG2-CD1 4.33Å; I464-Y610 HydrophobicContact CG2-CD2 3.77Å; I464-Y610 HydrophobicContact CG2-CE1 4.47Å; I464-Y610 HydrophobicContact CG2-CE2 3.92Å; I464-Y610 HydrophobicContact CG2-CG 3.99Å; Q465-Y610 PolarHBondContact NE2-OH 2.93Å; L468-Y610 HydrophobicContact CD1-CD1 4.38Å; L468-Y610 HydrophobicContact CD1-CE1 4.3Å; S586-Y610 WeakPolarHBondContact O-CD1 3.45Å; S586-Y610 PolarHBondContact O-N 2.85Å; Q587-Y610 CarbonylContact C-O 3.51Å; Q587-Y610 WeakPolarHBondContact CA-O 3.33Å; Q587-Y610 HydrophobicContact CB-CD2 4.23Å; Q587-Y610 HydrophobicContact CB-CE1 4.45Å; Q587-Y610 HydrophobicContact CB-CE2 3.53Å; Q587-Y610 HydrophobicContact CG-CD2 4.05Å; Q587-Y610 HydrophobicContact CG-CE2 3.59Å; V588-Y610 PolarHBondContact N-O 3.24Å; Y610-V618 CarbonylContact C-O 3.54Å; Y610-V618 WeakPolarHBondContact CA-O 3.46Å
611	N	96.9	Very high	97.6	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.016	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	106.7	176.4	-176.8	12.7	0	0	0	109.9	V588 P589 T590 H613 V618	V588-N611 WeakPolarHBondContact O-CB 3.37Å; P589-N611 WeakPolarHBondContact CA-OD1 3.45Å; T590-N611 WeakPolarHBondContact CG2-ND2 3.11Å; T590-N611 PolarHBondContact N-ND2 3.21Å; T590-N611 PolarHBondContact N-OD1 3.43Å; T590-N611 PolarHBondContact O-ND2 2.99Å; T590-N611 PolarHBondContact O-OD1 3.43Å; N611-H613 PolarHBondContact ND2-CE1 3.18Å; N611-H613 PolarHBondContact ND2-NE2 3.18Å; N611-H613 PolarHBondContact O-N 2.89Å; N611-V618 PolarHBondContact N-O 3.1Å; N611-V618 PolarHBondContact O-N 2.73Å
612	P	96.7	Very high	97.7	Very high	4 Å²	4	19.8 Å²	19.8	3%	0.026	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	104.5	177.3	34.9	-32.8	0	0	0	110.9	R450 I464 Q587	R450-P612 HydrophobicContact CB-CB 4.13Å; R450-P612 WeakPolarHBondContact CD-O 3.26Å; R450-P612 PolarHBondContact NH1-O 2.72Å; I464-P612 HydrophobicContact CD1-CB 3.63Å; I464-P612 HydrophobicContact CD1-CG 4.16Å; Q587-P612 HydrophobicContact CG-CG 4.4Å
613	H	97.1	Very high	97.8	Very high	19 Å²	19	18.7 Å²	18.7	9%	0.088	11%	0.108	C	C	.	.			trans	-76.8	168.5	170	-69.1	-87.7	0	0	0	110.8	G449 R450 T590 M592 N611 D615 N616	G449-H613 CarbonylContact C-O 3.49Å; G449-H613 VanDerWaalsContact CA-O 3.27Å; G449-H613 WeakPolarHBondContact CA-O 3.4Å; R450-H613 WeakPolarHBondContact CG-O 3.22Å; R450-H613 PolarHBondContact N-O 3.06Å; T590-H613 PolarHBondContact O-CE1 2.81Å; T590-H613 VanDerWaalsContact O-CE1 3.3Å; M592-H613 PolarHBondContact O-CE1 3.15Å; N611-H613 PolarHBondContact ND2-CE1 3.18Å; N611-H613 PolarHBondContact ND2-NE2 3.18Å; N611-H613 PolarHBondContact O-N 2.89Å; H613-D615 VanDerWaalsContact C-N 3.31Å; H613-D615 PolarHBondContact O-N 3.05Å; H613-N616 CarbonylContact C-O 3.45Å; H613-N616 WeakPolarHBondContact CA-O 3.47Å; H613-N616 WeakPolarHBondContact CB-ND2 3.19Å; H613-N616 WeakPolarHBondContact CB-O 3.26Å; H613-N616 PolarHBondContact CD2-OD1 2.73Å; H613-N616 PolarHBondContact N-O 3.11Å; H613-N616 VanDerWaalsContact O-O 3.1Å
614	P	97.2	Very high	98	Very high	59 Å²	59	15.3 Å²	15.3	38%	0.383	8%	0.084	S	C	.	.	S	Bend	trans	-52.4	-44.2	177.9	-30.5	38.2	0	0	0	114.7	G449 R450 E451	G449-P614 CarbonylContact C-O 3.1Å; G449-P614 VanDerWaalsContact C-O 3.29Å; G449-P614 VanDerWaalsContact CA-O 3.27Å; G449-P614 WeakPolarHBondContact CA-O 3.35Å; R450-P614 PolarHBondContact N-O 3.09Å; E451-P614 WeakPolarHBondContact CB-O 3.42Å; E451-P614 HydrophobicContact CG-CB 4Å; E451-P614 PolarHBondContact N-O 3.22Å
615	D	96.5	Very high	98	Very high	109 Å²	109	18.7 Å²	18.7	58%	0.583	9%	0.093	S	C	*	.	S	Bend	trans	-122.9	-0.3	-169.7	62.6	-11.6	0	0	0	114.4	Y448 G449 H613	Y448-D615 CarbonylContact C-O 3.59Å; Y448-D615 WeakPolarHBondContact CA-O 3.18Å; G449-D615 PolarHBondContact N-O 2.91Å; H613-D615 VanDerWaalsContact C-N 3.31Å; H613-D615 PolarHBondContact O-N 3.05Å
616	N	97.7	Very high	98	Very high	37 Å²	37	23.9 Å²	23.9	20%	0.198	13%	0.125	C	C	.	.			trans	-147	166.7	176.2	69.5	91.1	0	0	0	111.5	Y445 Y448 H613	Y445-N616 CarbonylContact O-C 3.47Å; Y445-N616 VanDerWaalsContact O-CA 3.23Å; Y445-N616 WeakPolarHBondContact O-CA 3.46Å; Y445-N616 VanDerWaalsContact O-CB 3.29Å; Y445-N616 WeakPolarHBondContact O-CB 3.37Å; Y448-N616 WeakPolarHBondContact O-CA 3.46Å; H613-N616 CarbonylContact C-O 3.45Å; H613-N616 WeakPolarHBondContact CA-O 3.47Å; H613-N616 WeakPolarHBondContact CB-ND2 3.19Å; H613-N616 WeakPolarHBondContact CB-O 3.26Å; H613-N616 PolarHBondContact CD2-OD1 2.73Å; H613-N616 PolarHBondContact N-O 3.11Å; H613-N616 VanDerWaalsContact O-O 3.1Å
617	I	98.3	Very high	97.9	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	125	176.1	-52.9	172	0	0	0	108.1	Y445 Y448 I464 V619 F643	Y445-I617 HydrophobicContact CD1-CD1 4.37Å; Y445-I617 PolarHBondContact N-O 3.33Å; Y445-I617 PolarHBondContact O-N 2.86Å; Y448-I617 HydrophobicContact CD2-CD1 4.33Å; Y448-I617 HydrophobicContact CE2-CD1 3.79Å; I464-I617 HydrophobicContact CD1-CD1 4.14Å; I464-I617 HydrophobicContact CD1-CG2 4.03Å; I464-I617 HydrophobicContact CG1-CD1 4.15Å; I617-V619 HydrophobicContact CG2-CG2 3.85Å; I617-F643 HydrophobicContact CD1-CD1 4.36Å; I617-F643 HydrophobicContact CD1-CE1 4.07Å; I617-F643 HydrophobicContact CD1-CE2 4.44Å; I617-F643 HydrophobicContact CD1-CZ 4.12Å; I617-F643 HydrophobicContact CG2-CE2 4.39Å; I617-F643 HydrophobicContact CG2-CZ 4.16Å
618	V	98.3	Very high	97.7	Very high	2 Å²	2	31 Å²	31	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.3	171.6	-176.7	0	0	0	0	108.4	I442 L443 R444 F595 Y610 N611	I442-V618 HydrophobicContact CG2-CG1 4.13Å; L443-V618 CarbonylContact O-C 3.6Å; L443-V618 WeakPolarHBondContact O-CA 3.3Å; R444-V618 HydrophobicContact CG-CG1 4.48Å; R444-V618 HydrophobicContact CG-CG2 4.31Å; F595-V618 HydrophobicContact CB-CG1 4.11Å; Y610-V618 CarbonylContact C-O 3.54Å; Y610-V618 WeakPolarHBondContact CA-O 3.46Å; N611-V618 PolarHBondContact N-O 3.1Å; N611-V618 PolarHBondContact O-N 2.73Å
619	V	98.7	Very high	97.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	125.5	175.9	-168.7	0	0	0	0	109	I442 L443 A608 A609 I617 I621 L639 F643	I442-V619 CarbonylContact C-O 3.58Å; L443-V619 HydrophobicContact CB-CB 4.33Å; L443-V619 PolarHBondContact N-O 2.8Å; L443-V619 PolarHBondContact O-N 2.99Å; A608-V619 HydrophobicContact CB-CG1 4.5Å; A609-V619 CarbonylContact O-C 3.54Å; A609-V619 WeakPolarHBondContact O-CA 3.32Å; I617-V619 HydrophobicContact CG2-CG2 3.85Å; V619-I621 HydrophobicContact CG1-CD1 4.39Å; V619-I621 HydrophobicContact CG1-CG1 3.85Å; V619-L639 HydrophobicContact CB-CD2 4.17Å; V619-L639 HydrophobicContact CG1-CD2 3.86Å; V619-L639 HydrophobicContact CG2-CD2 4.04Å; V619-F643 HydrophobicContact CG2-CE2 4.21Å; V619-F643 HydrophobicContact CG2-CZ 4.29Å
620	V	98.6	Very high	97.6	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.024	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	114.9	173.4	-175.2	0	0	0	0	108.3	L440 I442 F595 M596 C597 A608 A609	L440-V620 HydrophobicContact CD1-CG1 3.7Å; L440-V620 HydrophobicContact CG-CG1 4.41Å; I442-V620 HydrophobicContact CG1-CG1 4.25Å; I442-V620 HydrophobicContact CG1-CG2 4.12Å; F595-V620 HydrophobicContact CB-CG2 4.21Å; F595-V620 HydrophobicContact CD2-CG2 3.61Å; F595-V620 HydrophobicContact CE2-CG2 4.33Å; F595-V620 HydrophobicContact CG-CG2 4.19Å; M596-V620 VanDerWaalsContact O-CG2 3.31Å; M596-V620 WeakPolarHBondContact O-CG2 3.39Å; C597-V620 HydrophobicContact CB-CG1 3.73Å; A608-V620 VanDerWaalsContact CA-O 3.28Å; A608-V620 WeakPolarHBondContact CA-O 3.4Å; A609-V620 HydrophobicContact CB-CB 4.37Å; A609-V620 PolarHBondContact N-O 2.84Å; A609-V620 PolarHBondContact O-N 3.1Å
621	I	98.8	Very high	97.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123	-175	-57.9	159.2	0	0	0	108.2	L440 Y441 Y606 G607 V619 A632 F635 A636 L639	L440-I621 CarbonylContact C-O 3.56Å; L440-I621 WeakPolarHBondContact CA-O 3.37Å; Y441-I621 PolarHBondContact N-O 2.9Å; Y441-I621 PolarHBondContact O-N 3.45Å; Y606-I621 HydrophobicContact CD1-CG2 4.15Å; G607-I621 CarbonylContact O-C 3.55Å; G607-I621 VanDerWaalsContact O-CA 3.29Å; G607-I621 WeakPolarHBondContact O-CA 3.43Å; V619-I621 HydrophobicContact CG1-CD1 4.39Å; V619-I621 HydrophobicContact CG1-CG1 3.85Å; I621-A632 HydrophobicContact CG2-CB 4.16Å; I621-F635 HydrophobicContact CD1-CD1 4Å; I621-F635 HydrophobicContact CG1-CD1 4.35Å; I621-F635 HydrophobicContact CG2-CB 4.17Å; I621-F635 HydrophobicContact CG2-CD1 3.91Å; I621-F635 HydrophobicContact CG2-CG 4.27Å; I621-A636 HydrophobicContact CD1-CB 3.52Å; I621-L639 HydrophobicContact CD1-CD2 4.18Å
622	S	98.7	Very high	97.7	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.007	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	147.1	177.5	66.7	0	0	0	0	111.7	D439 Y598 G599 A600 Y606 G607	D439-S622 CarbonylContact O-C 3.57Å; D439-S622 WeakPolarHBondContact O-CA 3.37Å; Y598-S622 WeakPolarHBondContact O-CB 3.49Å; Y598-S622 PolarHBondContact O-OG 3.44Å; G599-S622 VanDerWaalsContact C-OG 3.26Å; G599-S622 WeakPolarHBondContact CA-OG 3.39Å; A600-S622 PolarHBondContact N-OG 2.98Å; A600-S622 VanDerWaalsContact N-OG 3.14Å; Y606-S622 CarbonylContact C-O 3.51Å; Y606-S622 VanDerWaalsContact CA-O 3.25Å; Y606-S622 WeakPolarHBondContact CA-O 3.49Å; G607-S622 WeakPolarHBondContact CA-OG 3.34Å; G607-S622 PolarHBondContact N-O 3.29Å; G607-S622 PolarHBondContact N-OG 3.49Å; G607-S622 PolarHBondContact O-N 2.69Å
623	C	98.7	Very high	97.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	177.3	166.4	57.8	0	0	0	0	111.1	D439 G605 Y606 N630 A632	D439-C623 PolarHBondContact N-O 2.91Å; D439-C623 PolarHBondContact O-N 3.42Å; G605-C623 VanDerWaalsContact O-CB 3.3Å; G605-C623 WeakPolarHBondContact O-CB 3.46Å; Y606-C623 HydrophobicContact CD1-CB 3.83Å; Y606-C623 HydrophobicContact CE1-CB 4.04Å; Y606-C623 HydrophobicContact CG-CB 4.48Å; C623-N630 HydrophobicContact CB-CB 3.8Å; C623-A632 PolarHBondContact SG-N 3.49Å; C623-A632 VanDerWaalsContact SG-N 3.38Å
624	W	98.3	Very high	97.8	Very high	21 Å²	21	45.2 Å²	45.2	8%	0.08	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.4	-179.7	-56.8	106.9	0	0	0	111.4	I110 N111 I434 D437 L438 A600 T626 N627 N630	I110-W624 HydrophobicContact CB-CH2 4.29Å; I110-W624 HydrophobicContact CG2-CH2 3.43Å; I110-W624 VanDerWaalsContact CG2-CH2 3.43Å; I110-W624 HydrophobicContact CG2-CZ2 4.11Å; I110-W624 HydrophobicContact CG2-CZ3 4.2Å; N111-W624 WeakPolarHBondContact OD1-CZ2 3.35Å; I434-W624 HydrophobicContact CG2-CH2 3.9Å; I434-W624 HydrophobicContact CG2-CZ3 3.8Å; D437-W624 HydrophobicContact CB-CE3 4.25Å; L438-W624 HydrophobicContact CB-CZ3 4.09Å; L438-W624 HydrophobicContact CD1-CZ3 4.3Å; A600-W624 PolarHBondContact O-NE1 3.1Å; W624-T626 VanDerWaalsContact C-N 3.26Å; W624-T626 PolarHBondContact O-N 3.11Å; W624-N627 PolarHBondContact O-N 3.09Å; W624-N630 WeakPolarHBondContact O-CB 3.5Å; W624-N630 PolarHBondContact O-ND2 2.71Å; W624-N630 VanDerWaalsContact O-ND2 3.11Å
625	R	98	Very high	97.9	Very high	120 Å²	120	42.4 Å²	42.4	45%	0.453	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-29.3	-179.5	-68.1	-171.4	-180	82.8	12.6	112.8	D436 D437 L438 D439 N627	D436-R625 PolarHBondContact O-NH1 3.42Å; D437-R625 WeakPolarHBondContact O-CG 3.47Å; D437-R625 PolarHBondContact O-N 3.42Å; D437-R625 PolarHBondContact OD1-N 3.16Å; L438-R625 VanDerWaalsContact O-CZ 3.28Å; L438-R625 PolarHBondContact O-NH1 2.76Å; L438-R625 PolarHBondContact O-NH2 3.27Å; L438-R625 VanDerWaalsContact O-NH2 3.16Å; D439-R625 VanDerWaalsContact CA-NH2 3.3Å; D439-R625 HydrophobicContact CB-CG 3.87Å; D439-R625 IonicContact OD1-CZ 2.8Å; D439-R625 IonicContact OD1-NE 3.73Å; D439-R625 IonicContact OD1-NH2 2.79Å; D439-R625 PolarHBondContact OD1-NH2 3.18Å; R625-N627 CarbonylContact O-C 3.51Å; R625-N627 PolarHBondContact O-N 3.49Å; R625-N627 VanDerWaalsContact O-N 3.08Å
626	T	96.3	Very high	98	Very high	110 Å²	110	37.3 Å²	37.3	68%	0.675	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-30.5	175.8	-67.4	0	0	0	0	111.7	D437 W624 P628	D437-T626 WeakPolarHBondContact OD1-CB 3.3Å; D437-T626 PolarHBondContact OD1-N 3.14Å; D437-T626 PolarHBondContact OD1-OG1 3.26Å; D437-T626 PolarHBondContact OD2-OG1 2.9Å; W624-T626 VanDerWaalsContact C-N 3.26Å; W624-T626 PolarHBondContact O-N 3.11Å; T626-P628 WeakPolarHBondContact O-CD 3.19Å
627	N	97.2	Very high	98.1	Very high	35 Å²	35	40.5 Å²	40.5	19%	0.187	21%	0.212	C	C	.	.	S	Bend	trans	-90.9	113.8	168.7	-166.7	-50.4	0	0	0	111	P603 N604 W624 R625 N629 N630	P603-N627 WeakPolarHBondContact O-CB 3.47Å; N604-N627 WeakPolarHBondContact CA-ND2 3.43Å; N604-N627 WeakPolarHBondContact CB-ND2 3.2Å; W624-N627 PolarHBondContact O-N 3.09Å; R625-N627 CarbonylContact O-C 3.51Å; R625-N627 PolarHBondContact O-N 3.49Å; R625-N627 VanDerWaalsContact O-N 3.08Å; N627-N629 PolarHBondContact O-N 3.42Å; N627-N629 VanDerWaalsContact O-N 3.1Å; N627-N629 WeakPolarHBondContact OD1-CB 3.47Å; N627-N629 PolarHBondContact OD1-N 3.3Å; N627-N630 HydrophobicContact CB-CB 4.37Å; N627-N630 WeakPolarHBondContact CB-ND2 3.46Å; N627-N630 WeakPolarHBondContact O-CB 3.35Å; N627-N630 PolarHBondContact O-N 2.96Å
628	P	95.7	Very high	98.1	Very high	118 Å²	118	42.8 Å²	42.8	77%	0.766	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-14.4	-175.1	28.7	-36.6	0	0	0	114.2	T626 N630	T626-P628 WeakPolarHBondContact O-CD 3.19Å; P628-N630 VanDerWaalsContact C-N 3.35Å
629	N	95.7	Very high	98.1	Very high	116 Å²	116	42.7 Å²	42.7	62%	0.62	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-12.1	175.7	-60.4	-47.2	0	0	0	112.4	H476 Y606 N627	H476-N629 PolarHBondContact CE1-O 3.21Å; H476-N629 VanDerWaalsContact CE1-O 3.31Å; Y606-N629 PolarHBondContact OH-O 3.19Å; N627-N629 PolarHBondContact O-N 3.42Å; N627-N629 VanDerWaalsContact O-N 3.1Å; N627-N629 WeakPolarHBondContact OD1-CB 3.47Å; N627-N629 PolarHBondContact OD1-N 3.3Å
630	N	97.5	Very high	98.1	Very high	15 Å²	15	45.4 Å²	45.4	8%	0.08	24%	0.237	C	C	.	.			trans	-83.5	138	176.5	-70.6	-9.4	0	0	0	110.7	P603 Y606 C623 W624 N627 P628	P603-N630 PolarHBondContact O-ND2 2.78Å; Y606-N630 WeakPolarHBondContact OH-CA 3.42Å; C623-N630 HydrophobicContact CB-CB 3.8Å; W624-N630 WeakPolarHBondContact O-CB 3.5Å; W624-N630 PolarHBondContact O-ND2 2.71Å; W624-N630 VanDerWaalsContact O-ND2 3.11Å; N627-N630 HydrophobicContact CB-CB 4.37Å; N627-N630 WeakPolarHBondContact CB-ND2 3.46Å; N627-N630 WeakPolarHBondContact O-CB 3.35Å; N627-N630 PolarHBondContact O-N 2.96Å; P628-N630 VanDerWaalsContact C-N 3.35Å
631	N	98.4	Very high	98.1	Very high	50 Å²	50	47 Å²	47	27%	0.267	25%	0.248	S	C	.	.			trans	-158	112.6	170.8	-170.9	-65.1	0	0	0	110.5	Y606 S633 K634 F635	Y606-N631 PolarHBondContact OH-N 2.62Å; N631-S633 PolarHBondContact OD1-N 2.99Å; N631-K634 HydrophobicContact CB-CB 4.03Å; N631-K634 HydrophobicContact CB-CD 4.09Å; N631-K634 HydrophobicContact CB-CG 4.2Å; N631-K634 WeakPolarHBondContact OD1-CG 3.16Å; N631-K634 PolarHBondContact OD1-N 3.42Å; N631-F635 WeakPolarHBondContact O-CB 3.26Å; N631-F635 PolarHBondContact O-N 2.79Å
632	A	98.6	Very high	98.1	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67.3	-39.9	-173.7	0	0	0	0	0	111.8	D439 I621 C623 F635 A636	D439-A632 HydrophobicContact CB-CB 4.33Å; D439-A632 WeakPolarHBondContact OD2-CB 3.31Å; D439-A632 PolarHBondContact OD2-N 3.03Å; I621-A632 HydrophobicContact CG2-CB 4.16Å; C623-A632 PolarHBondContact SG-N 3.49Å; C623-A632 VanDerWaalsContact SG-N 3.38Å; A632-F635 PolarHBondContact O-N 3.13Å; A632-A636 WeakPolarHBondContact O-CB 3.44Å; A632-A636 PolarHBondContact O-N 3.48Å
633	S	98.5	Very high	98.2	Very high	41 Å²	41	46.9 Å²	46.9	29%	0.287	25%	0.248	S	C	.	.	H	α-helix	trans	-64.4	-48	178.1	-171.3	0	0	0	0	112.1	N631 F635 A636 E637	N631-S633 PolarHBondContact OD1-N 2.99Å; S633-F635 VanDerWaalsContact C-N 3.31Å; S633-F635 PolarHBondContact O-N 3.45Å; S633-A636 WeakPolarHBondContact O-CB 3.38Å; S633-A636 PolarHBondContact O-N 2.61Å; S633-A636 VanDerWaalsContact O-N 3.13Å; S633-E637 WeakPolarHBondContact O-CG 3.1Å; S633-E637 PolarHBondContact O-N 3.48Å
634	K	98.7	Very high	98.2	Very high	110 Å²	110	48.2 Å²	48.2	48%	0.478	26%	0.255	S	S	.	.	H	α-helix	trans	-64	-37.6	177.2	-69.8	-179.3	-179.2	178.6	0	111.6	L475 N631 A636 E637 M638	L475-K634 HydrophobicContact CD1-CB 4.12Å; L475-K634 HydrophobicContact CD2-CB 4.43Å; N631-K634 HydrophobicContact CB-CB 4.03Å; N631-K634 HydrophobicContact CB-CD 4.09Å; N631-K634 HydrophobicContact CB-CG 4.2Å; N631-K634 WeakPolarHBondContact OD1-CG 3.16Å; N631-K634 PolarHBondContact OD1-N 3.42Å; K634-A636 VanDerWaalsContact C-N 3.32Å; K634-E637 PolarHBondContact O-N 3.13Å; K634-M638 WeakPolarHBondContact O-CG 3.37Å; K634-M638 PolarHBondContact O-N 2.9Å
635	F	98.9	Very high	98.2	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.9	-42.3	173.8	-165.6	-82.2	0	0	0	111	L468 A471 H472 L475 L583 Y606 I621 N631 A632 S633 M638 L639	L468-F635 HydrophobicContact CD2-CE1 4.01Å; A471-F635 HydrophobicContact CB-CE1 4.12Å; A471-F635 HydrophobicContact CB-CZ 4.05Å; H472-F635 HydrophobicContact CB-CE2 3.89Å; H472-F635 HydrophobicContact CB-CZ 4.33Å; L475-F635 HydrophobicContact CD2-CB 4.19Å; L475-F635 HydrophobicContact CD2-CD2 4.12Å; L583-F635 HydrophobicContact CD1-CZ 4.21Å; Y606-F635 HydrophobicContact CD1-CB 4.09Å; Y606-F635 AromaticContact CD1-CD2 3.87Å; Y606-F635 HydrophobicContact CD1-CD2 3.87Å; Y606-F635 AromaticContact CD1-CG 3.95Å; Y606-F635 HydrophobicContact CD1-CG 3.95Å; Y606-F635 HydrophobicContact CD2-CD2 4.07Å; Y606-F635 HydrophobicContact CD2-CE2 4.14Å; Y606-F635 HydrophobicContact CE1-CB 3.72Å; Y606-F635 AromaticContact CE1-CD2 3.76Å; Y606-F635 HydrophobicContact CE1-CD2 3.76Å; Y606-F635 AromaticContact CE1-CG 3.94Å; Y606-F635 HydrophobicContact CE1-CG 3.94Å; Y606-F635 HydrophobicContact CE2-CD2 4Å; Y606-F635 HydrophobicContact CE2-CE2 4.37Å; Y606-F635 HydrophobicContact CG-CD2 4.02Å; Y606-F635 HydrophobicContact CG-CE2 4.23Å; Y606-F635 HydrophobicContact CG-CG 4.45Å; Y606-F635 AromaticContact CZ-CD2 3.84Å; I621-F635 HydrophobicContact CD1-CD1 4Å; I621-F635 HydrophobicContact CG1-CD1 4.35Å; I621-F635 HydrophobicContact CG2-CB 4.17Å; I621-F635 HydrophobicContact CG2-CD1 3.91Å; I621-F635 HydrophobicContact CG2-CG 4.27Å; N631-F635 WeakPolarHBondContact O-CB 3.26Å; N631-F635 PolarHBondContact O-N 2.79Å; A632-F635 PolarHBondContact O-N 3.13Å; S633-F635 VanDerWaalsContact C-N 3.31Å; S633-F635 PolarHBondContact O-N 3.45Å; F635-M638 PolarHBondContact O-N 2.95Å; F635-L639 WeakPolarHBondContact O-CB 3.34Å; F635-L639 PolarHBondContact O-N 3.26Å
636	A	98.8	Very high	98.2	Very high	2 Å²	2	44.3 Å²	44.3	2%	0.017	24%	0.243	C	C	.	.	H	α-helix	trans	-61.7	-42.4	175.5	0	0	0	0	0	112.6	Y441 L443 I621 A632 S633 K634 M638 L639 D640	Y441-A636 HydrophobicContact CD1-CB 3.27Å; Y441-A636 HydrophobicContact CE1-CB 3.49Å; Y441-A636 VanDerWaalsContact CE1-CB 3.49Å; Y441-A636 HydrophobicContact CG-CB 3.92Å; L443-A636 HydrophobicContact CB-CB 4.42Å; I621-A636 HydrophobicContact CD1-CB 3.52Å; A632-A636 WeakPolarHBondContact O-CB 3.44Å; A632-A636 PolarHBondContact O-N 3.48Å; S633-A636 WeakPolarHBondContact O-CB 3.38Å; S633-A636 PolarHBondContact O-N 2.61Å; S633-A636 VanDerWaalsContact O-N 3.13Å; K634-A636 VanDerWaalsContact C-N 3.32Å; A636-M638 VanDerWaalsContact C-N 3.35Å; A636-M638 PolarHBondContact O-N 3.34Å; A636-L639 PolarHBondContact O-N 3.19Å; A636-D640 WeakPolarHBondContact O-CB 3.44Å; A636-D640 PolarHBondContact O-N 2.71Å
637	E	98.8	Very high	98.3	Very high	104 Å²	104	43 Å²	43	49%	0.486	23%	0.226	S	C	.	.	H	α-helix	trans	-59.2	-44.9	174	-71.9	165.8	-154.7	0	0	111.6	S633 K634 L639 S641	S633-E637 WeakPolarHBondContact O-CG 3.1Å; S633-E637 PolarHBondContact O-N 3.48Å; K634-E637 PolarHBondContact O-N 3.13Å; E637-L639 VanDerWaalsContact C-N 3.29Å; E637-L639 PolarHBondContact O-N 3.09Å; E637-S641 WeakPolarHBondContact O-CB 3.46Å; E637-S641 PolarHBondContact O-N 3.03Å; E637-S641 VanDerWaalsContact O-N 3.08Å
638	M	98.8	Very high	98.4	Very high	50 Å²	50	47.2 Å²	47.2	25%	0.246	25%	0.245	C	C	.	.	H	α-helix	trans	-66.3	-33.2	176.9	-65.1	-55.2	94.5	0	0	112.2	A471 K474 L475 K634 F635 A636 A642	A471-M638 HydrophobicContact CB-CB 4.05Å; K474-M638 HydrophobicContact CB-CB 4.26Å; K474-M638 HydrophobicContact CB-CG 4.11Å; K474-M638 HydrophobicContact CB-SD 3.78Å; K474-M638 HydrophobicContact CD-SD 4.31Å; L475-M638 HydrophobicContact CB-CG 4.07Å; L475-M638 HydrophobicContact CD1-CG 4.47Å; K634-M638 WeakPolarHBondContact O-CG 3.37Å; K634-M638 PolarHBondContact O-N 2.9Å; F635-M638 PolarHBondContact O-N 2.95Å; A636-M638 VanDerWaalsContact C-N 3.35Å; A636-M638 PolarHBondContact O-N 3.34Å; M638-A642 VanDerWaalsContact O-CB 3.27Å; M638-A642 WeakPolarHBondContact O-CB 3.47Å; M638-A642 PolarHBondContact O-N 3.05Å
639	L	98.9	Very high	98.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-73.7	-42.4	177.9	-175.3	59.4	0	0	0	112.8	L443 A467 L468 A471 V619 I621 F635 A636 E637 S641 A642 F643	L443-L639 HydrophobicContact CD2-CB 4.19Å; L443-L639 HydrophobicContact CD2-CD2 4.01Å; L443-L639 HydrophobicContact CD2-CG 4.04Å; A467-L639 HydrophobicContact CB-CD1 3.86Å; L468-L639 HydrophobicContact CD2-CD1 3.92Å; L468-L639 HydrophobicContact CD2-CD2 3.67Å; L468-L639 HydrophobicContact CD2-CG 4.45Å; L468-L639 HydrophobicContact CG-CD1 4.27Å; A471-L639 HydrophobicContact CB-CB 3.91Å; A471-L639 HydrophobicContact CB-CD1 4.1Å; V619-L639 HydrophobicContact CB-CD2 4.17Å; V619-L639 HydrophobicContact CG1-CD2 3.86Å; V619-L639 HydrophobicContact CG2-CD2 4.04Å; I621-L639 HydrophobicContact CD1-CD2 4.18Å; F635-L639 WeakPolarHBondContact O-CB 3.34Å; F635-L639 PolarHBondContact O-N 3.26Å; A636-L639 PolarHBondContact O-N 3.19Å; E637-L639 VanDerWaalsContact C-N 3.29Å; E637-L639 PolarHBondContact O-N 3.09Å; L639-S641 VanDerWaalsContact C-N 3.33Å; L639-S641 PolarHBondContact O-N 2.93Å; L639-A642 WeakPolarHBondContact O-CB 3.39Å; L639-A642 PolarHBondContact O-N 3.33Å; L639-F643 HydrophobicContact CD1-CE1 4.19Å; L639-F643 HydrophobicContact CD1-CE2 4.02Å; L639-F643 HydrophobicContact CD1-CZ 3.84Å; L639-F643 HydrophobicContact CD2-CE2 4.13Å; L639-F643 HydrophobicContact CD2-CZ 4.31Å; L639-F643 HydrophobicContact CG-CD2 4.2Å; L639-F643 HydrophobicContact CG-CE2 3.69Å; L639-F643 HydrophobicContact CG-CZ 3.99Å; L639-F643 WeakPolarHBondContact O-CD2 3.45Å; L639-F643 WeakPolarHBondContact O-CG 3.31Å; L639-F643 PolarHBondContact O-N 3.1Å
640	D	98.8	Very high	98.6	Very high	57 Å²	57	36.7 Å²	36.7	31%	0.305	18%	0.182	S	C	.	.	H	α-helix	trans	-59.1	-46.3	173.3	-173.6	-76.3	0	0	0	111	L443 Y445 A636 A642 F643 T644	L443-D640 HydrophobicContact CD1-CB 4.16Å; L443-D640 HydrophobicContact CD2-CB 4.35Å; Y445-D640 WeakPolarHBondContact CD2-OD2 3.29Å; A636-D640 WeakPolarHBondContact O-CB 3.44Å; A636-D640 PolarHBondContact O-N 2.71Å; D640-A642 PolarHBondContact O-N 2.96Å; D640-F643 PolarHBondContact O-N 2.82Å; D640-T644 PolarHBondContact O-N 3.36Å; D640-T644 PolarHBondContact O-OG1 3.18Å
641	S	98.8	Very high	98.7	Very high	36 Å²	36	40.1 Å²	40.1	25%	0.252	20%	0.2	S	C	.	.	H	α-helix	trans	-61.2	-42.3	172.9	165.5	0	0	0	0	111.9	K474 E637 L639 T644 E645	K474-S641 PolarHBondContact NZ-OG 2.74Å; E637-S641 WeakPolarHBondContact O-CB 3.46Å; E637-S641 PolarHBondContact O-N 3.03Å; E637-S641 VanDerWaalsContact O-N 3.08Å; L639-S641 VanDerWaalsContact C-N 3.33Å; L639-S641 PolarHBondContact O-N 2.93Å; S641-T644 PolarHBondContact O-N 2.87Å; S641-E645 WeakPolarHBondContact O-CB 3.49Å; S641-E645 WeakPolarHBondContact O-CG 3.49Å; S641-E645 PolarHBondContact O-N 3.49Å; S641-E645 PolarHBondContact OG-OE1 3.02Å
642	A	98.9	Very high	98.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.8	-45.2	176.5	0	0	0	0	0	112.1	A467 L470 M638 L639 D640 T644 E645 M646	A467-A642 HydrophobicContact CB-CB 4.36Å; L470-A642 HydrophobicContact CB-CB 4.17Å; L470-A642 HydrophobicContact CD2-CB 3.86Å; L470-A642 HydrophobicContact CG-CB 4.04Å; M638-A642 VanDerWaalsContact O-CB 3.27Å; M638-A642 WeakPolarHBondContact O-CB 3.47Å; M638-A642 PolarHBondContact O-N 3.05Å; L639-A642 WeakPolarHBondContact O-CB 3.39Å; L639-A642 PolarHBondContact O-N 3.33Å; D640-A642 PolarHBondContact O-N 2.96Å; A642-T644 PolarHBondContact O-N 2.8Å; A642-E645 PolarHBondContact O-N 2.66Å; A642-M646 WeakPolarHBondContact O-CB 3.45Å; A642-M646 WeakPolarHBondContact O-CG 3.39Å; A642-M646 PolarHBondContact O-N 2.94Å
643	F	98.9	Very high	98.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.6	-47.1	175.6	-73	-39.2	0	0	0	112.1	L443 Y445 Y448 I464 A467 I617 V619 L639 D640 M646 R647	L443-F643 HydrophobicContact CD2-CD2 4.49Å; L443-F643 HydrophobicContact CD2-CE2 4.21Å; Y445-F643 HydrophobicContact CD1-CB 4.3Å; Y445-F643 HydrophobicContact CD1-CD2 4.15Å; Y445-F643 HydrophobicContact CD1-CG 4.42Å; Y445-F643 HydrophobicContact CD2-CB 4.11Å; Y445-F643 AromaticContact CD2-CD2 3.98Å; Y445-F643 HydrophobicContact CD2-CD2 3.98Å; Y445-F643 HydrophobicContact CE1-CB 3.9Å; Y445-F643 HydrophobicContact CE1-CG 4.46Å; Y445-F643 HydrophobicContact CE2-CB 3.7Å; Y445-F643 HydrophobicContact CE2-CD2 4.44Å; Y445-F643 HydrophobicContact CG-CB 4.37Å; Y445-F643 AromaticContact CG-CD2 3.79Å; Y445-F643 HydrophobicContact CG-CD2 3.79Å; Y445-F643 HydrophobicContact CG-CG 4.42Å; Y448-F643 HydrophobicContact CE1-CB 4.36Å; Y448-F643 WeakPolarHBondContact OH-CA 3.49Å; Y448-F643 VanDerWaalsContact OH-CB 3.3Å; Y448-F643 WeakPolarHBondContact OH-CB 3.39Å; Y448-F643 WeakPolarHBondContact OH-CD1 3.29Å; Y448-F643 PolarHBondContact OH-O 3.41Å; I464-F643 HydrophobicContact CB-CE1 4.41Å; I464-F643 HydrophobicContact CG1-CE1 3.98Å; I464-F643 HydrophobicContact CG1-CZ 4.34Å; I464-F643 HydrophobicContact CG2-CE1 4.36Å; I464-F643 HydrophobicContact CG2-CZ 4.26Å; A467-F643 HydrophobicContact CB-CD1 3.55Å; A467-F643 HydrophobicContact CB-CE1 3.4Å; A467-F643 VanDerWaalsContact CB-CE1 3.4Å; A467-F643 HydrophobicContact CB-CZ 4.35Å; I617-F643 HydrophobicContact CD1-CD1 4.36Å; I617-F643 HydrophobicContact CD1-CE1 4.07Å; I617-F643 HydrophobicContact CD1-CE2 4.44Å; I617-F643 HydrophobicContact CD1-CZ 4.12Å; I617-F643 HydrophobicContact CG2-CE2 4.39Å; I617-F643 HydrophobicContact CG2-CZ 4.16Å; V619-F643 HydrophobicContact CG2-CE2 4.21Å; V619-F643 HydrophobicContact CG2-CZ 4.29Å; L639-F643 HydrophobicContact CD1-CE1 4.19Å; L639-F643 HydrophobicContact CD1-CE2 4.02Å; L639-F643 HydrophobicContact CD1-CZ 3.84Å; L639-F643 HydrophobicContact CD2-CE2 4.13Å; L639-F643 HydrophobicContact CD2-CZ 4.31Å; L639-F643 HydrophobicContact CG-CD2 4.2Å; L639-F643 HydrophobicContact CG-CE2 3.69Å; L639-F643 HydrophobicContact CG-CZ 3.99Å; L639-F643 WeakPolarHBondContact O-CD2 3.45Å; L639-F643 WeakPolarHBondContact O-CG 3.31Å; L639-F643 PolarHBondContact O-N 3.1Å; D640-F643 PolarHBondContact O-N 2.82Å; F643-M646 PolarHBondContact O-N 2.91Å; F643-R647 PolarHBondContact O-N 3.17Å; F643-R647 VanDerWaalsContact O-N 3.08Å
644	T	98.8	Very high	98.6	Very high	27 Å²	27	43.5 Å²	43.5	17%	0.166	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-50.7	179.4	-56.5	0	0	0	0	111.4	Y445 Q447 D640 S641 A642 M646 R647 E648	Y445-T644 PolarHBondContact OH-OG1 3.09Å; Q447-T644 PolarHBondContact NE2-OG1 2.93Å; Q447-T644 PolarHBondContact OE1-OG1 3.36Å; D640-T644 PolarHBondContact O-N 3.36Å; D640-T644 PolarHBondContact O-OG1 3.18Å; S641-T644 PolarHBondContact O-N 2.87Å; A642-T644 PolarHBondContact O-N 2.8Å; T644-M646 PolarHBondContact O-N 3.4Å; T644-R647 PolarHBondContact O-N 3.03Å; T644-E648 WeakPolarHBondContact O-CG 3.34Å; T644-E648 PolarHBondContact O-N 2.91Å
645	E	98.7	Very high	98.5	Very high	59 Å²	59	44.4 Å²	44.4	28%	0.276	23%	0.228	S	C	.	.	H	α-helix	trans	-64.1	-38	179.8	-75.7	171.9	-150.3	0	0	113.1	K474 M513 S641 A642 R647 E648 L649	K474-E645 VanDerWaalsContact CE-OE2 3.32Å; K474-E645 WeakPolarHBondContact CE-OE2 3.47Å; K474-E645 IonicContact NZ-OE1 3.77Å; K474-E645 PolarHBondContact NZ-OE1 3.44Å; K474-E645 IonicContact NZ-OE2 2.83Å; K474-E645 PolarHBondContact NZ-OE2 3.27Å; M513-E645 HydrophobicContact CE-CB 3.9Å; S641-E645 WeakPolarHBondContact O-CB 3.49Å; S641-E645 WeakPolarHBondContact O-CG 3.49Å; S641-E645 PolarHBondContact O-N 3.49Å; S641-E645 PolarHBondContact OG-OE1 3.02Å; A642-E645 PolarHBondContact O-N 2.66Å; E645-R647 VanDerWaalsContact C-N 3.33Å; E645-E648 PolarHBondContact O-N 3.33Å; E645-L649 VanDerWaalsContact O-CB 3.26Å; E645-L649 WeakPolarHBondContact O-CB 3.47Å; E645-L649 PolarHBondContact O-N 3.3Å
646	M	98.7	Very high	98.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.2	-39.4	176.8	-72.6	177.5	74.9	0	0	111.4	F463 L466 A467 L470 W509 L528 A642 F643 T644 V650	F463-M646 HydrophobicContact CD1-CE 3.77Å; F463-M646 HydrophobicContact CD1-SD 4.36Å; F463-M646 HydrophobicContact CD2-CE 4.02Å; F463-M646 HydrophobicContact CE1-CB 3.73Å; F463-M646 HydrophobicContact CE1-CE 3.65Å; F463-M646 HydrophobicContact CE1-CG 4.48Å; F463-M646 HydrophobicContact CE1-SD 3.95Å; F463-M646 HydrophobicContact CE2-CB 4.34Å; F463-M646 HydrophobicContact CE2-CE 3.97Å; F463-M646 HydrophobicContact CG-CE 3.95Å; F463-M646 HydrophobicContact CZ-CB 3.43Å; F463-M646 VanDerWaalsContact CZ-CB 3.43Å; F463-M646 HydrophobicContact CZ-CE 3.81Å; F463-M646 HydrophobicContact CZ-CG 4.44Å; F463-M646 HydrophobicContact CZ-SD 4.38Å; F463-M646 WeakPolarHBondContact O-CE 3.13Å; L466-M646 HydrophobicContact CB-CE 4.13Å; A467-M646 VanDerWaalsContact CA-SD 3.56Å; A467-M646 HydrophobicContact CB-SD 3.52Å; A467-M646 VanDerWaalsContact CB-SD 3.52Å; L470-M646 HydrophobicContact CD2-CG 4.44Å; W509-M646 HydrophobicContact CH2-CE 3.81Å; W509-M646 HydrophobicContact CH2-CG 3.76Å; W509-M646 HydrophobicContact CH2-SD 3.64Å; W509-M646 HydrophobicContact CZ2-CE 4.1Å; W509-M646 HydrophobicContact CZ2-CG 3.79Å; W509-M646 HydrophobicContact CZ2-SD 4.2Å; L528-M646 HydrophobicContact CD1-CE 3.9Å; A642-M646 WeakPolarHBondContact O-CB 3.45Å; A642-M646 WeakPolarHBondContact O-CG 3.39Å; A642-M646 PolarHBondContact O-N 2.94Å; F643-M646 PolarHBondContact O-N 2.91Å; T644-M646 PolarHBondContact O-N 3.4Å; M646-V650 WeakPolarHBondContact O-CB 3.3Å; M646-V650 WeakPolarHBondContact O-CG2 3.38Å; M646-V650 PolarHBondContact O-N 3.28Å
647	R	98.5	Very high	98.3	Very high	82 Å²	82	45.3 Å²	45.3	31%	0.309	23%	0.233	S	C	.	.	H	α-helix	trans	-63.6	-48.1	173.9	168.6	171.3	175.3	-159.2	10.3	111.6	Q447 Y448 F452 F643 T644 E645 L649 V650 L651	Q447-R647 PolarHBondContact O-NH1 3.41Å; Q447-R647 VanDerWaalsContact O-NH1 3.1Å; Y448-R647 HydrophobicContact CD1-CB 4.1Å; Y448-R647 HydrophobicContact CD1-CG 4.29Å; Y448-R647 HydrophobicContact CE1-CB 3.64Å; Y448-R647 HydrophobicContact CE1-CG 4.32Å; F452-R647 HydrophobicContact CD1-CB 4.48Å; F452-R647 HydrophobicContact CE1-CB 3.72Å; F452-R647 HydrophobicContact CE1-CG 3.9Å; F452-R647 HydrophobicContact CE2-CG 4.09Å; F452-R647 HydrophobicContact CZ-CB 3.88Å; F452-R647 HydrophobicContact CZ-CG 3.65Å; F643-R647 PolarHBondContact O-N 3.17Å; F643-R647 VanDerWaalsContact O-N 3.08Å; T644-R647 PolarHBondContact O-N 3.03Å; E645-R647 VanDerWaalsContact C-N 3.33Å; R647-L649 VanDerWaalsContact C-N 3.33Å; R647-L649 PolarHBondContact O-N 3.28Å; R647-V650 PolarHBondContact O-N 3.04Å; R647-L651 HydrophobicContact CG-CD1 3.7Å; R647-L651 HydrophobicContact CG-CG 4.28Å; R647-L651 WeakPolarHBondContact O-CB 3.28Å; R647-L651 VanDerWaalsContact O-CG 3.29Å; R647-L651 WeakPolarHBondContact O-CG 3.14Å; R647-L651 PolarHBondContact O-N 3.39Å
648	E	98.6	Very high	98.1	Very high	124 Å²	124	44.2 Å²	44.2	58%	0.579	23%	0.226	S	C	*	.	H	α-helix	trans	-59.7	-43.6	178	-71.4	175.9	174.5	0	0	111.8	T644 E645 V650 L651 S652	T644-E648 WeakPolarHBondContact O-CG 3.34Å; T644-E648 PolarHBondContact O-N 2.91Å; E645-E648 PolarHBondContact O-N 3.33Å; E648-V650 PolarHBondContact O-N 2.97Å; E648-L651 PolarHBondContact O-N 3.17Å; E648-S652 PolarHBondContact O-N 2.84Å
649	L	98.7	Very high	97.9	Very high	13 Å²	13	45.9 Å²	45.9	7%	0.068	23%	0.233	C	C	.	.	H	α-helix	trans	-57.6	-52.2	176.3	179.8	70.7	0	0	0	111.1	M513 T521 K524 I525 L528 E645 R647 L651 S652	M513-L649 HydrophobicContact SD-CD2 3.82Å; T521-L649 HydrophobicContact CG2-CD1 3.86Å; K524-L649 HydrophobicContact CB-CD1 3.69Å; K524-L649 HydrophobicContact CB-CD2 4.08Å; K524-L649 HydrophobicContact CD-CD1 4.34Å; I525-L649 WeakPolarHBondContact CD1-O 3.24Å; I525-L649 HydrophobicContact CG1-CD1 3.87Å; I525-L649 HydrophobicContact CG1-CD2 4.36Å; I525-L649 HydrophobicContact CG1-CG 3.76Å; L528-L649 HydrophobicContact CD2-CD2 4.27Å; E645-L649 VanDerWaalsContact O-CB 3.26Å; E645-L649 WeakPolarHBondContact O-CB 3.47Å; E645-L649 PolarHBondContact O-N 3.3Å; R647-L649 VanDerWaalsContact C-N 3.33Å; R647-L649 PolarHBondContact O-N 3.28Å; L649-L651 VanDerWaalsContact C-N 3.32Å; L649-L651 PolarHBondContact O-N 3.23Å; L649-S652 WeakPolarHBondContact O-CB 3.34Å; L649-S652 PolarHBondContact O-N 3.42Å; L649-S652 PolarHBondContact O-OG 3.48Å
650	V	98.2	Very high	97.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-39.7	179.9	164.3	0	0	0	0	111.7	F452 V456 M458 F463 L528 M646 R647 E648 S652 N653 P654 A657	F452-V650 HydrophobicContact CE2-CG1 4.49Å; F452-V650 HydrophobicContact CZ-CB 4.14Å; F452-V650 HydrophobicContact CZ-CG1 3.88Å; V456-V650 HydrophobicContact CB-CG1 4Å; V456-V650 HydrophobicContact CG1-CG1 3.65Å; V456-V650 HydrophobicContact CG2-CG1 3.63Å; M458-V650 HydrophobicContact CE-CG2 4.14Å; M458-V650 HydrophobicContact SD-CG2 4.09Å; F463-V650 HydrophobicContact CE2-CG2 4.28Å; L528-V650 HydrophobicContact CD2-CG2 3.87Å; M646-V650 WeakPolarHBondContact O-CB 3.3Å; M646-V650 WeakPolarHBondContact O-CG2 3.38Å; M646-V650 PolarHBondContact O-N 3.28Å; R647-V650 PolarHBondContact O-N 3.04Å; E648-V650 PolarHBondContact O-N 2.97Å; V650-S652 VanDerWaalsContact C-N 3.29Å; V650-S652 PolarHBondContact O-N 3.21Å; V650-N653 CarbonylContact O-C 3.51Å; V650-N653 PolarHBondContact O-N 3.04Å; V650-P654 WeakPolarHBondContact O-CA 3.39Å; V650-A657 HydrophobicContact CG1-CB 4.04Å
651	L	98.2	Very high	96.9	Very high	88 Å²	88	47.6 Å²	47.6	46%	0.461	25%	0.248	S	C	.	.	H	α-helix	trans	-72.1	-21	179.8	-72.9	178.5	0	0	0	113.5	F452 R647 E648 L649 N653 P654	F452-L651 HydrophobicContact CE2-CD1 4.43Å; F452-L651 HydrophobicContact CE2-CD2 4Å; F452-L651 HydrophobicContact CE2-CG 4.06Å; F452-L651 HydrophobicContact CZ-CG 4.31Å; R647-L651 HydrophobicContact CG-CD1 3.7Å; R647-L651 HydrophobicContact CG-CG 4.28Å; R647-L651 WeakPolarHBondContact O-CB 3.28Å; R647-L651 VanDerWaalsContact O-CG 3.29Å; R647-L651 WeakPolarHBondContact O-CG 3.14Å; R647-L651 PolarHBondContact O-N 3.39Å; E648-L651 PolarHBondContact O-N 3.17Å; L649-L651 VanDerWaalsContact C-N 3.32Å; L649-L651 PolarHBondContact O-N 3.23Å; L651-N653 VanDerWaalsContact C-N 3.27Å; L651-N653 PolarHBondContact O-N 2.76Å; L651-P654 WeakPolarHBondContact O-CD 3.47Å
652	S	98.3	Very high	95.9	Very high	67 Å²	67	52 Å²	52	47%	0.469	27%	0.269	S	S	.	.	H	α-helix	trans	-65.4	-29.6	176.2	75.4	0	0	0	0	113.1	T521 E648 L649 V650	T521-S652 WeakPolarHBondContact CG2-OG 3.32Å; E648-S652 PolarHBondContact O-N 2.84Å; L649-S652 WeakPolarHBondContact O-CB 3.34Å; L649-S652 PolarHBondContact O-N 3.42Å; L649-S652 PolarHBondContact O-OG 3.48Å; V650-S652 VanDerWaalsContact C-N 3.29Å; V650-S652 PolarHBondContact O-N 3.21Å
653	N	98.1	Very high	94.8	Very high	46 Å²	46	58 Å²	58	25%	0.246	30%	0.297	C	S	.	.	S	Bend	trans	-152.1	76.1	174.3	-164.9	-17.2	0	0	0	111.5	D522 I525 V650 L651 Q655 L656 A657	D522-N653 PolarHBondContact OD1-ND2 3.39Å; I525-N653 HydrophobicContact CD1-CB 3.69Å; V650-N653 CarbonylContact O-C 3.51Å; V650-N653 PolarHBondContact O-N 3.04Å; L651-N653 VanDerWaalsContact C-N 3.27Å; L651-N653 PolarHBondContact O-N 2.76Å; N653-Q655 PolarHBondContact O-N 2.92Å; N653-L656 HydrophobicContact CB-CB 4.01Å; N653-L656 PolarHBondContact O-N 3.33Å; N653-L656 WeakPolarHBondContact OD1-CB 3.4Å; N653-L656 PolarHBondContact OD1-N 3.43Å; N653-A657 PolarHBondContact O-N 3.27Å
654	P	97.2	Very high	93.2	Very high	48 Å²	48	61.8 Å²	61.8	31%	0.312	32%	0.322	S	S	.	.	H	α-helix	trans	-63.8	-29.4	-172.8	-22.8	33.4	0	0	0	113.6	V456 V650 L651 A657 K658	V456-P654 HydrophobicContact CG1-CB 4.48Å; V650-P654 WeakPolarHBondContact O-CA 3.39Å; L651-P654 WeakPolarHBondContact O-CD 3.47Å; P654-A657 PolarHBondContact O-N 2.86Å; P654-K658 WeakPolarHBondContact O-CG 3.34Å; P654-K658 PolarHBondContact O-N 3.2Å
655	Q	97.1	Very high	91.6	Very high	130 Å²	130	61.4 Å²	61.4	61%	0.607	32%	0.319	S	S	*	.	H	α-helix	trans	-70.2	-42.1	178.2	-63	-59.9	-12.5	0	0	111.1	N653 K658 Q659	N653-Q655 PolarHBondContact O-N 2.92Å; Q655-K658 PolarHBondContact O-N 3.25Å; Q655-Q659 WeakPolarHBondContact O-CG 3.44Å
656	L	97	Very high	89.7	Confident	20 Å²	20	66.9 Å²	66.9	11%	0.105	35%	0.345	C	S	.	.	H	α-helix	trans	-64.2	-44.2	172.2	-168.8	75.8	0	0	0	111	D522 I525 R526 N653 K658 Q659	D522-L656 HydrophobicContact CB-CD2 3.54Å; D522-L656 VanDerWaalsContact CG-CD2 3.49Å; I525-L656 HydrophobicContact CB-CD2 4.04Å; I525-L656 HydrophobicContact CD1-CD2 4.2Å; I525-L656 HydrophobicContact CG2-CB 4.37Å; I525-L656 HydrophobicContact CG2-CD2 3.97Å; I525-L656 HydrophobicContact CG2-CG 4.07Å; R526-L656 VanDerWaalsContact CZ-CD1 3.41Å; N653-L656 HydrophobicContact CB-CB 4.01Å; N653-L656 PolarHBondContact O-N 3.33Å; N653-L656 WeakPolarHBondContact OD1-CB 3.4Å; N653-L656 PolarHBondContact OD1-N 3.43Å; L656-K658 VanDerWaalsContact C-N 3.26Å; L656-K658 PolarHBondContact O-N 3.02Å; L656-Q659 WeakPolarHBondContact O-CB 3.49Å; L656-Q659 PolarHBondContact O-N 3.13Å; L656-Q659 VanDerWaalsContact O-N 3.08Å
657	A	96.1	Very high	87.8	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-56	-42.6	179.4	0	0	0	0	0	111.1	M458 I525 R529 V650 N653 P654 Q659	M458-A657 HydrophobicContact CE-CB 4.33Å; I525-A657 HydrophobicContact CG2-CB 3.98Å; R529-A657 PolarHBondContact NE-O 3.19Å; R529-A657 PolarHBondContact NH2-O 2.75Å; V650-A657 HydrophobicContact CG1-CB 4.04Å; N653-A657 PolarHBondContact O-N 3.27Å; P654-A657 PolarHBondContact O-N 2.86Å; A657-Q659 VanDerWaalsContact C-N 3.28Å; A657-Q659 PolarHBondContact O-N 3.41Å
658	K	95.7	Very high	85.8	Confident	81 Å²	81	68.8 Å²	68.8	35%	0.352	36%	0.362	S	S	.	.	H	α-helix	trans	-66.2	-21	178.7	-77.8	173.8	178.5	-175.1	0	115.3	T455 V456 P654 Q655 L656	T455-K658 WeakPolarHBondContact O-CE 3.41Å; T455-K658 PolarHBondContact O-NZ 2.87Å; V456-K658 HydrophobicContact CB-CG 4.21Å; P654-K658 WeakPolarHBondContact O-CG 3.34Å; P654-K658 PolarHBondContact O-N 3.2Å; Q655-K658 PolarHBondContact O-N 3.25Å; L656-K658 VanDerWaalsContact C-N 3.26Å; L656-K658 PolarHBondContact O-N 3.02Å
659	Q	94.5	Very high	83.9	Confident	85 Å²	85	63.6 Å²	63.6	40%	0.397	34%	0.338	S	S	.	.	S	Bend	trans	-73.8	146.4	-177.3	-69.7	172	21	0	0	110.7	R529 Q655 L656 A657	R529-Q659 WeakPolarHBondContact CD-O 3.2Å; R529-Q659 WeakPolarHBondContact CG-O 3.43Å; R529-Q659 PolarHBondContact NE-O 2.58Å; Q655-Q659 WeakPolarHBondContact O-CG 3.44Å; L656-Q659 WeakPolarHBondContact O-CB 3.49Å; L656-Q659 PolarHBondContact O-N 3.13Å; L656-Q659 VanDerWaalsContact O-N 3.08Å; A657-Q659 VanDerWaalsContact C-N 3.28Å; A657-Q659 PolarHBondContact O-N 3.41Å
660	P	89.2	Confident	81.9	Confident	78 Å²	78	63 Å²	63	51%	0.506	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-64.2	162.9	169	27.9	-33.2	0	0	0	111.4	R526 E533	R526-P660 PolarHBondContact NH1-O 3.09Å; E533-P660 VanDerWaalsContact OE1-CA 3.27Å; E533-P660 WeakPolarHBondContact OE1-CA 3.49Å
661	S	85.8	Confident	80	Confident	15 Å²	15	69.4 Å²	69.4	11%	0.105	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-59.7	142.4	171.2	-174.9	0	0	0	0	110.4	E533 E663	E533-S661 PolarHBondContact OE1-N 3.29Å; E533-S661 WeakPolarHBondContact OE2-CB 3.39Å; S661-E663 PolarHBondContact O-N 2.83Å; S661-E663 PolarHBondContact OG-N 2.94Å; S661-E663 VanDerWaalsContact OG-N 3.17Å; S661-E663 PolarHBondContact OG-O 3.07Å
662	N	79.4	Confident	78.1	Confident	130 Å²	130	69.7 Å²	69.7	70%	0.695	37%	0.373	S	S	*	.	S	Bend	trans	-71	-23.2	171	-64.7	-11.7	0	0	0	111.6	P664	N662-P664 VanDerWaalsContact C-CD 3.42Å; N662-P664 VanDerWaalsContact O-CD 3.25Å; N662-P664 WeakPolarHBondContact O-CD 3.31Å
663	E	75.1	Confident	76.2	Confident	124 Å²	124	69.7 Å²	69.7	58%	0.579	37%	0.367	S	S	*	.	S	Bend	trans	-111.5	77.8	172	-66.2	174.7	-176.1	0	0	107.3	K530 S661 V665	K530-E663 IonicContact NZ-OE2 2.84Å; K530-E663 PolarHBondContact NZ-OE2 3.25Å; S661-E663 PolarHBondContact O-N 2.83Å; S661-E663 PolarHBondContact OG-N 2.94Å; S661-E663 VanDerWaalsContact OG-N 3.17Å; S661-E663 PolarHBondContact OG-O 3.07Å; E663-V665 PolarHBondContact O-N 3.46Å
664	P	65.2	Low	74.1	Confident	80 Å²	80	70.3 Å²	70.3	52%	0.519	38%	0.384	S	S	.	.			trans	-61.6	138.1	175.2	27	-33.2	0	0	0	108.5	N662 E666	N662-P664 VanDerWaalsContact C-CD 3.42Å; N662-P664 VanDerWaalsContact O-CD 3.25Å; N662-P664 WeakPolarHBondContact O-CD 3.31Å; P664-E666 PolarHBondContact O-N 2.82Å
665	V	65.5	Low	71.9	Confident	19 Å²	19	68.5 Å²	68.5	12%	0.115	37%	0.373	C	S	.	.			trans	-61	136.1	177.8	-165.4	0	0	0	0	109.3	E533 W534 E537 E663 W667	E533-V665 HydrophobicContact CB-CG2 4.39Å; W534-V665 HydrophobicContact CB-CG2 4.12Å; W534-V665 HydrophobicContact CD2-CG1 4.49Å; W534-V665 HydrophobicContact CE3-CB 4.47Å; W534-V665 HydrophobicContact CE3-CG1 3.48Å; W534-V665 VanDerWaalsContact CE3-CG1 3.48Å; W534-V665 HydrophobicContact CE3-CG2 4.12Å; W534-V665 HydrophobicContact CZ3-CG1 3.8Å; E537-V665 WeakPolarHBondContact OE2-CG1 3.41Å; E663-V665 PolarHBondContact O-N 3.46Å; V665-W667 PolarHBondContact O-N 3.31Å; V665-W667 VanDerWaalsContact O-N 3.13Å; V665-W667 PolarHBondContact O-NE1 2.77Å
666	E	58.8	Low	69.6	Low	174 Å²	174	68.9 Å²	68.9	81%	0.813	38%	0.379	S	S	*	.			trans	-71.2	106.1	-176.9	-78.8	-169.3	156.8	0	0	112.2	E537 P664 S668	E537-E666 VanDerWaalsContact OE1-O 3.11Å; P664-E666 PolarHBondContact O-N 2.82Å; E666-S668 PolarHBondContact O-N 3.24Å
667	W	59.4	Low	67.1	Low	57 Å²	57	70.4 Å²	70.4	22%	0.216	39%	0.389	C	S	.	.			trans	-75.6	97.4	177.8	-60.5	79.6	0	0	0	112.8	E537 L540 V665 A670 K671 V677	E537-W667 HydrophobicContact CB-CH2 4.49Å; E537-W667 HydrophobicContact CG-CE3 4.37Å; E537-W667 HydrophobicContact CG-CZ3 4.44Å; L540-W667 HydrophobicContact CD1-CH2 3.73Å; L540-W667 HydrophobicContact CD1-CZ3 3.59Å; V665-W667 PolarHBondContact O-N 3.31Å; V665-W667 VanDerWaalsContact O-N 3.13Å; V665-W667 PolarHBondContact O-NE1 2.77Å; W667-A670 HydrophobicContact CE3-CB 3.99Å; W667-A670 HydrophobicContact CZ3-CB 4.12Å; W667-K671 HydrophobicContact CB-CD 3.83Å; W667-K671 HydrophobicContact CB-CG 3.98Å; W667-K671 HydrophobicContact CG-CD 4.28Å; W667-K671 HydrophobicContact CG-CG 4.43Å; W667-V677 HydrophobicContact CE3-CG2 4.45Å; W667-V677 HydrophobicContact CH2-CB 4.49Å; W667-V677 HydrophobicContact CH2-CG1 3.7Å; W667-V677 HydrophobicContact CH2-CG2 4.03Å; W667-V677 HydrophobicContact CZ2-CG1 4.17Å; W667-V677 HydrophobicContact CZ3-CG1 4.39Å; W667-V677 HydrophobicContact CZ3-CG2 3.92Å
668	S	55.4	Low	64.4	Low	66 Å²	66	72.7 Å²	72.7	46%	0.462	41%	0.413	S	S	.	.	S	Bend	trans	-90.4	-42.9	173.7	65.1	0	0	0	0	113.1	E666 S672	E666-S668 PolarHBondContact O-N 3.24Å; S668-S672 PolarHBondContact O-OG 2.79Å
669	I	59.5	Low	61.6	Low	14 Å²	14	74.2 Å²	74.2	7%	0.072	43%	0.425	C	S	.	.	H	α-helix	trans	-93.9	-52.8	-168.5	-58.7	174.3	0	0	0	112.9	N39 E541 H546 K671 S672 L673	N39-I669 HydrophobicContact CB-CD1 3.83Å; N39-I669 WeakPolarHBondContact ND2-CD1 3.3Å; E541-I669 HydrophobicContact CG-CB 4.41Å; H546-I669 HydrophobicContact CB-CD1 4.48Å; H546-I669 HydrophobicContact CB-CG2 4.17Å; I669-K671 VanDerWaalsContact C-N 3.34Å; I669-K671 PolarHBondContact O-N 2.88Å; I669-S672 PolarHBondContact O-N 3.4Å; I669-S672 PolarHBondContact O-OG 2.63Å; I669-L673 HydrophobicContact CG2-CD1 3.53Å; I669-L673 HydrophobicContact CG2-CG 4.28Å; I669-L673 VanDerWaalsContact O-CG 3.31Å; I669-L673 WeakPolarHBondContact O-CG 3.44Å; I669-L673 PolarHBondContact O-N 2.74Å; I669-L673 VanDerWaalsContact O-N 3.16Å
670	A	56.3	Low	58.5	Low	1 Å²	1	76.6 Å²	76.6	1%	0.008	44%	0.44	C	S	.	.	H	α-helix	trans	-64.5	-35.9	-170.1	0	0	0	0	0	113.7	L540 L544 W667 L673 G674 A675	L540-A670 HydrophobicContact CB-CB 4.39Å; L544-A670 HydrophobicContact CD1-CB 4.33Å; W667-A670 HydrophobicContact CE3-CB 3.99Å; W667-A670 HydrophobicContact CZ3-CB 4.12Å; A670-L673 PolarHBondContact O-N 2.94Å; A670-G674 PolarHBondContact O-N 3.48Å; A670-A675 HydrophobicContact CB-CB 4.26Å; A670-A675 WeakPolarHBondContact O-CB 3.37Å; A670-A675 PolarHBondContact O-N 3.27Å; A670-A675 VanDerWaalsContact O-N 3.14Å
671	K	58.5	Low	55.5	Low	135 Å²	135	75.6 Å²	75.6	59%	0.587	43%	0.433	S	S	*	.	H	α-helix	trans	-66.7	-42.5	175.1	-78.1	-174.9	-175.9	174.6	0	112.3	W667 I669 L673 G674	W667-K671 HydrophobicContact CB-CD 3.83Å; W667-K671 HydrophobicContact CB-CG 3.98Å; W667-K671 HydrophobicContact CG-CD 4.28Å; W667-K671 HydrophobicContact CG-CG 4.43Å; I669-K671 VanDerWaalsContact C-N 3.34Å; I669-K671 PolarHBondContact O-N 2.88Å; K671-L673 PolarHBondContact O-N 3.2Å; K671-G674 PolarHBondContact O-N 3.16Å; K671-G674 VanDerWaalsContact O-N 3.11Å
672	S	58.5	Low	52.5	Low	94 Å²	94	80.8 Å²	80.8	66%	0.657	46%	0.464	S	S	*	.	H	α-helix	trans	-65.8	-20.4	177.7	57.8	0	0	0	0	112.4	S668 I669	S668-S672 PolarHBondContact O-OG 2.79Å; I669-S672 PolarHBondContact O-N 3.4Å; I669-S672 PolarHBondContact O-OG 2.63Å
673	L	58.7	Low	49.9	Very low	67 Å²	67	78.8 Å²	78.8	35%	0.351	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	3.3	175.4	-61.8	171.2	0	0	0	114.8	L544 H546 I669 A670 K671	L544-L673 HydrophobicContact CD1-CD1 4.37Å; H546-L673 VanDerWaalsContact CD2-CD1 3.41Å; H546-L673 WeakPolarHBondContact CD2-CD1 3.15Å; H546-L673 WeakPolarHBondContact NE2-CD1 3.29Å; I669-L673 HydrophobicContact CG2-CD1 3.53Å; I669-L673 HydrophobicContact CG2-CG 4.28Å; I669-L673 VanDerWaalsContact O-CG 3.31Å; I669-L673 WeakPolarHBondContact O-CG 3.44Å; I669-L673 PolarHBondContact O-N 2.74Å; I669-L673 VanDerWaalsContact O-N 3.16Å; A670-L673 PolarHBondContact O-N 2.94Å; K671-L673 PolarHBondContact O-N 3.2Å
674	G	52.9	Low	48.6	Very low	59 Å²	59	76.6 Å²	76.6	61%	0.608	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	27.4	178.2	0	0	0	0	0	114.5	A670 K671 D676	A670-G674 PolarHBondContact O-N 3.48Å; K671-G674 PolarHBondContact O-N 3.16Å; K671-G674 VanDerWaalsContact O-N 3.11Å; G674-D676 PolarHBondContact O-N 2.86Å
675	A	51.5	Low	47.8	Very low	10 Å²	10	76.4 Å²	76.4	8%	0.083	47%	0.466	C	S	.	.			trans	-72.2	115.7	172.3	0	0	0	0	0	110.2	L544 A670 V677	L544-A675 HydrophobicContact CD1-CB 3.94Å; A670-A675 HydrophobicContact CB-CB 4.26Å; A670-A675 WeakPolarHBondContact O-CB 3.37Å; A670-A675 PolarHBondContact O-N 3.27Å; A670-A675 VanDerWaalsContact O-N 3.14Å; A675-V677 PolarHBondContact O-N 3.17Å
676	D	48.6	Very low	46.8	Very low	137 Å²	137	79.6 Å²	79.6	73%	0.733	49%	0.485	S	S	*	.			trans	-74.7	105.1	174.8	-146.6	1.3	0	0	0	108.9	G674 G678	G674-D676 PolarHBondContact O-N 2.86Å; D676-G678 PolarHBondContact O-N 3.43Å; D676-G678 VanDerWaalsContact O-N 3.09Å
677	V	44.8	Very low	46.1	Very low	52 Å²	52	74 Å²	74	32%	0.315	47%	0.466	S	S	.	.			trans	-87.3	64.4	-178.4	-159.5	0	0	0	0	108.4	L540 W667 A675 L679	L540-V677 HydrophobicContact CD1-CG1 4.12Å; L540-V677 HydrophobicContact CD1-CG2 4.33Å; W667-V677 HydrophobicContact CE3-CG2 4.45Å; W667-V677 HydrophobicContact CH2-CB 4.49Å; W667-V677 HydrophobicContact CH2-CG1 3.7Å; W667-V677 HydrophobicContact CH2-CG2 4.03Å; W667-V677 HydrophobicContact CZ2-CG1 4.17Å; W667-V677 HydrophobicContact CZ3-CG1 4.39Å; W667-V677 HydrophobicContact CZ3-CG2 3.92Å; A675-V677 PolarHBondContact O-N 3.17Å; V677-L679 PolarHBondContact O-N 3.2Å
678	G	38.8	Very low	45.2	Very low	49 Å²	49	75.1 Å²	75.1	51%	0.505	48%	0.482	S	S	.	.			trans	-64.9	104	174.9	0	0	0	0	0	109.9	D676 N680	D676-G678 PolarHBondContact O-N 3.43Å; D676-G678 VanDerWaalsContact O-N 3.09Å; G678-N680 PolarHBondContact O-N 2.7Å
679	L	36.7	Very low	44.6	Very low	113 Å²	113	75.7 Å²	75.7	59%	0.592	48%	0.483	S	S	*	.			trans	-60.4	1.2	165.2	-81.2	162.8	0	0	0	113.1	V677 V681	V677-L679 PolarHBondContact O-N 3.2Å; L679-V681 VanDerWaalsContact C-N 3.29Å; L679-V681 PolarHBondContact O-N 3.32Å
680	N	30.2	Very low	43.5	Very low	135 Å²	135	80.1 Å²	80.1	72%	0.722	51%	0.512	S	S	*	.			trans	-79.7	76.9	171.7	-71	-17.1	0	0	0	110.3	G678 T682	G678-N680 PolarHBondContact O-N 2.7Å; N680-T682 VanDerWaalsContact C-N 3.27Å; N680-T682 PolarHBondContact O-N 3.02Å
681	V	26.4	Very low	42.5	Very low	57 Å²	57	86.2 Å²	86.2	35%	0.345	55%	0.551	S	S	.	*			trans	-69.1	87.4	165	-174.4	0	0	0	0	107.9	K454 L679	K454-V681 HydrophobicContact CG-CG1 4.14Å; L679-V681 VanDerWaalsContact C-N 3.29Å; L679-V681 PolarHBondContact O-N 3.32Å
682	T	22.9	Very low	41.2	Very low	124 Å²	124	82.1 Å²	82.1	76%	0.761	55%	0.548	S	S	*	.			trans	-128.2	105.5	165.5	57.8	0	0	0	0	108.5	N680	N680-T682 VanDerWaalsContact C-N 3.27Å; N680-T682 PolarHBondContact O-N 3.02Å
683	G	24.1	Very low	39.6	Very low	88 Å²	88	81 Å²	81	91%	0.907	54%	0.538	S	S	*	.			trans	140.3	0	173.2	0	0	0	0	0	114.3	K454	K454-G683 PolarHBondContact NZ-OXT 3.25Å

Retrieved 683 of 683 residues in 1582.3 ms (Link to these results)

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