A0A3Q0KP38_SCHMA Loading...

Oxysterol-binding protein

AlphaFold DB , UniProt , Accession A0A3Q0KP38, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 609 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.2	Very low	41.5	Very low	231 Å²	231	119.5 Å²	119.5	100%	1.138	59%	0.594	S	S	*	*				0	13.5	0	-144.5	171.3	-179.1	0	0	113.9
2	F	33.5	Very low	42.8	Very low	207 Å²	207	114.5 Å²	114.5	91%	0.908	58%	0.58	S	S	*	*			trans	-111.7	18.5	-172.3	-71.6	-76.4	0	0	0	116.3	K4	F2-K4 PolarHBondContact O-N 3.29Å
3	R	37.8	Very low	44.3	Very low	157 Å²	157	105.9 Å²	105.9	59%	0.592	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-71.8	11	176.6	-88.1	-172.3	-177.1	-178.1	0.2	114.6	D5 R11	R3-D5 PolarHBondContact O-N 3.47Å; R3-R11 PolarHBondContact O-NE 3.2Å; R3-R11 PolarHBondContact O-NH2 2.96Å
4	K	38.7	Very low	46.1	Very low	171 Å²	171	99.4 Å²	99.4	74%	0.743	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-76	-16.5	-161.9	-94.4	-172.8	177.7	-177.4	0	116.8	F2 R11	F2-K4 PolarHBondContact O-N 3.29Å; K4-R11 VanDerWaalsContact C-NH2 3.3Å; K4-R11 VanDerWaalsContact CA-NH2 3.27Å; K4-R11 PolarHBondContact O-NH2 3.31Å
5	D	44.4	Very low	48.1	Very low	130 Å²	130	98.5 Å²	98.5	70%	0.695	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-108.9	3.6	-171.2	-60	-26.7	0	0	0	116	R3	R3-D5 PolarHBondContact O-N 3.47Å
6	L	40.6	Very low	50	Low	28 Å²	28	95.3 Å²	95.3	15%	0.147	48%	0.482	C	S	.	.	S	Bend	trans	-76.3	126.5	171.7	-86	160.9	0	0	0	109.7	S10 R11	L6-S10 VanDerWaalsContact CB-OG 3.29Å; L6-S10 WeakPolarHBondContact CB-OG 3.48Å; L6-S10 WeakPolarHBondContact CD2-OG 3.3Å; L6-R11 HydrophobicContact CB-CG 3.94Å
7	P	45.1	Very low	51.7	Low	76 Å²	76	89.6 Å²	89.6	49%	0.494	45%	0.454	S	S	.	.			trans	-53	146	176.1	17.1	-27.6	0	0	0	110.5	S9 S10 R11	P7-S9 PolarHBondContact O-N 3.17Å; P7-S10 WeakPolarHBondContact CD-OG 3.31Å; P7-S10 WeakPolarHBondContact CG-OG 3.41Å; P7-S10 WeakPolarHBondContact O-CB 3.42Å; P7-S10 PolarHBondContact O-N 3.42Å; P7-S10 PolarHBondContact O-OG 3.37Å; P7-R11 PolarHBondContact O-N 3.26Å
8	P	39.1	Very low	53.5	Low	116 Å²	116	86 Å²	86	75%	0.753	44%	0.438	S	S	*	.	H	α-helix	trans	-51.6	-36.8	-170.7	-27.4	32.9	0	0	0	114.8	R11 S12	P8-R11 PolarHBondContact O-N 2.82Å; P8-S12 PolarHBondContact O-N 2.86Å
9	S	44.6	Very low	55.1	Low	74 Å²	74	87.1 Å²	87.1	52%	0.517	45%	0.445	S	S	.	.	H	α-helix	trans	-62.4	-41.6	175.5	52.4	0	0	0	0	112.9	P7 R11 S12 C13	P7-S9 PolarHBondContact O-N 3.17Å; S9-R11 VanDerWaalsContact C-N 3.34Å; S9-R11 PolarHBondContact O-N 3.33Å; S9-S12 PolarHBondContact O-N 3.26Å; S9-C13 PolarHBondContact O-N 3.11Å; S9-C13 VanDerWaalsContact O-N 3.17Å
10	S	49.3	Very low	56.4	Low	26 Å²	26	83.7 Å²	83.7	18%	0.182	43%	0.428	C	S	.	.	H	α-helix	trans	-66.3	-33.6	178.1	64.7	0	0	0	0	112.5	L6 P7 S12 C13 N14	L6-S10 VanDerWaalsContact CB-OG 3.29Å; L6-S10 WeakPolarHBondContact CB-OG 3.48Å; L6-S10 WeakPolarHBondContact CD2-OG 3.3Å; P7-S10 WeakPolarHBondContact CD-OG 3.31Å; P7-S10 WeakPolarHBondContact CG-OG 3.41Å; P7-S10 WeakPolarHBondContact O-CB 3.42Å; P7-S10 PolarHBondContact O-N 3.42Å; P7-S10 PolarHBondContact O-OG 3.37Å; S10-S12 PolarHBondContact O-N 2.97Å; S10-C13 PolarHBondContact O-N 3.46Å; S10-N14 WeakPolarHBondContact O-CB 3.44Å; S10-N14 PolarHBondContact O-N 3.35Å; S10-N14 PolarHBondContact O-OD1 3.09Å
11	R	52.3	Low	57.7	Low	98 Å²	98	80.4 Å²	80.4	37%	0.37	41%	0.411	S	S	.	.	H	α-helix	trans	-65	-41.2	175.9	-72.9	-166.2	-169	154	18.2	113.3	R3 K4 L6 P7 P8 S9 N14 I15	R3-R11 PolarHBondContact O-NE 3.2Å; R3-R11 PolarHBondContact O-NH2 2.96Å; K4-R11 VanDerWaalsContact C-NH2 3.3Å; K4-R11 VanDerWaalsContact CA-NH2 3.27Å; K4-R11 PolarHBondContact O-NH2 3.31Å; L6-R11 HydrophobicContact CB-CG 3.94Å; P7-R11 PolarHBondContact O-N 3.26Å; P8-R11 PolarHBondContact O-N 2.82Å; S9-R11 VanDerWaalsContact C-N 3.34Å; S9-R11 PolarHBondContact O-N 3.33Å; R11-N14 PolarHBondContact O-N 2.91Å; R11-I15 WeakPolarHBondContact O-CG1 3.3Å; R11-I15 PolarHBondContact O-N 3.16Å
12	S	57.2	Low	60.2	Low	60 Å²	60	73.5 Å²	73.5	42%	0.42	39%	0.39	S	S	.	.	H	α-helix	trans	-67.6	-41.1	178.2	-175.1	0	0	0	0	111.4	P8 S9 S10 N14 I15 Q16	P8-S12 PolarHBondContact O-N 2.86Å; S9-S12 PolarHBondContact O-N 3.26Å; S10-S12 PolarHBondContact O-N 2.97Å; S12-N14 VanDerWaalsContact C-N 3.32Å; S12-N14 PolarHBondContact O-N 3.32Å; S12-I15 PolarHBondContact O-N 3.34Å; S12-Q16 PolarHBondContact O-N 2.78Å
13	C	62.1	Low	62.4	Low	3 Å²	3	65.9 Å²	65.9	2%	0.02	36%	0.363	C	S	.	.	H	α-helix	trans	-58.1	-46.1	174.8	-175.8	0	0	0	0	110.8	S9 S10 I15 Q16 A17	S9-C13 PolarHBondContact O-N 3.11Å; S9-C13 VanDerWaalsContact O-N 3.17Å; S10-C13 PolarHBondContact O-N 3.46Å; C13-I15 VanDerWaalsContact C-N 3.35Å; C13-I15 PolarHBondContact O-N 3.31Å; C13-Q16 PolarHBondContact O-N 2.91Å; C13-A17 WeakPolarHBondContact O-CB 3.42Å; C13-A17 PolarHBondContact O-N 3.37Å
14	N	69.3	Low	64	Low	15 Å²	15	59.9 Å²	59.9	8%	0.08	35%	0.35	C	S	.	.	H	α-helix	trans	-62.9	-38.5	-179.1	-69.4	17.7	0	0	0	112.6	S10 R11 S12 S18 E156 Y190	S10-N14 WeakPolarHBondContact O-CB 3.44Å; S10-N14 PolarHBondContact O-N 3.35Å; S10-N14 PolarHBondContact O-OD1 3.09Å; R11-N14 PolarHBondContact O-N 2.91Å; S12-N14 VanDerWaalsContact C-N 3.32Å; S12-N14 PolarHBondContact O-N 3.32Å; N14-S18 WeakPolarHBondContact O-CB 3.18Å; N14-S18 PolarHBondContact O-N 3.47Å; N14-S18 PolarHBondContact O-OG 3.49Å; N14-S18 VanDerWaalsContact O-OG 3.05Å; N14-E156 PolarHBondContact ND2-OE1 3.38Å; N14-E156 PolarHBondContact OD1-OE1 2.88Å; N14-E156 PolarHBondContact OD1-OE2 2.83Å; N14-Y190 PolarHBondContact ND2-OH 2.93Å
15	I	76.2	Confident	65.2	Low	86 Å²	86	60.1 Å²	60.1	44%	0.441	35%	0.353	S	S	.	.	H	α-helix	trans	-63.4	-48.4	179.1	-66.9	165.4	0	0	0	110.7	R11 S12 C13 A17 S18 D19	R11-I15 WeakPolarHBondContact O-CG1 3.3Å; R11-I15 PolarHBondContact O-N 3.16Å; S12-I15 PolarHBondContact O-N 3.34Å; C13-I15 VanDerWaalsContact C-N 3.35Å; C13-I15 PolarHBondContact O-N 3.31Å; I15-A17 PolarHBondContact O-N 3.13Å; I15-S18 PolarHBondContact O-N 2.95Å; I15-D19 PolarHBondContact O-N 3.06Å
16	Q	78.5	Confident	66.1	Low	46 Å²	46	62 Å²	62	22%	0.215	36%	0.356	C	S	.	.	H	α-helix	trans	-67.4	-37.5	-178.8	-65.2	179.1	-20.9	0	0	112.3	S12 C13 D19 I20 G595 W598	S12-Q16 PolarHBondContact O-N 2.78Å; C13-Q16 PolarHBondContact O-N 2.91Å; Q16-D19 PolarHBondContact O-N 2.69Å; Q16-I20 WeakPolarHBondContact O-CG1 3.3Å; Q16-I20 PolarHBondContact O-N 2.97Å; Q16-G595 PolarHBondContact OE1-O 3.31Å; Q16-W598 HydrophobicContact CB-CB 3.68Å
17	A	79.6	Confident	67.1	Low	0 Å²	0	62.1 Å²	62.1	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-62.5	-46.1	172.4	0	0	0	0	0	111.5	C13 I15 D19 I20 I21 V138 E156	C13-A17 WeakPolarHBondContact O-CB 3.42Å; C13-A17 PolarHBondContact O-N 3.37Å; I15-A17 PolarHBondContact O-N 3.13Å; A17-D19 VanDerWaalsContact C-N 3.29Å; A17-D19 PolarHBondContact O-N 2.95Å; A17-I20 PolarHBondContact O-N 2.65Å; A17-I20 VanDerWaalsContact O-N 3.14Å; A17-I21 VanDerWaalsContact O-CG1 3.29Å; A17-I21 WeakPolarHBondContact O-CG1 3.2Å; A17-I21 PolarHBondContact O-N 3Å; A17-V138 HydrophobicContact CB-CG2 3.73Å; A17-E156 HydrophobicContact CB-CB 3.81Å; A17-E156 HydrophobicContact CB-CG 3.56Å
18	S	82.8	Confident	67.7	Low	24 Å²	24	60.5 Å²	60.5	17%	0.168	35%	0.348	C	S	.	.	H	α-helix	trans	-58.8	-38.2	175.2	-69.8	0	0	0	0	112.2	N14 I15 I20 I21 A22 D158	N14-S18 WeakPolarHBondContact O-CB 3.18Å; N14-S18 PolarHBondContact O-N 3.47Å; N14-S18 PolarHBondContact O-OG 3.49Å; N14-S18 VanDerWaalsContact O-OG 3.05Å; I15-S18 PolarHBondContact O-N 2.95Å; S18-I20 VanDerWaalsContact C-N 3.34Å; S18-I20 PolarHBondContact O-N 3.13Å; S18-I21 PolarHBondContact O-N 3.01Å; S18-A22 VanDerWaalsContact O-CB 3.26Å; S18-A22 WeakPolarHBondContact O-CB 3.45Å; S18-A22 PolarHBondContact O-N 2.98Å; S18-D158 WeakPolarHBondContact CB-OD1 3.38Å; S18-D158 PolarHBondContact OG-OD1 2.77Å
19	D	84.2	Confident	69.2	Low	107 Å²	107	55.5 Å²	55.5	57%	0.572	31%	0.314	S	S	*	.	H	α-helix	trans	-64.2	-39.2	176.5	-67.6	-24.7	0	0	0	111.9	I15 Q16 A17 A22 S23	I15-D19 PolarHBondContact O-N 3.06Å; Q16-D19 PolarHBondContact O-N 2.69Å; A17-D19 VanDerWaalsContact C-N 3.29Å; A17-D19 PolarHBondContact O-N 2.95Å; D19-A22 PolarHBondContact O-N 3.24Å; D19-S23 PolarHBondContact O-N 2.76Å; D19-S23 VanDerWaalsContact O-N 3.13Å
20	I	82.5	Confident	70.7	Confident	19 Å²	19	52.9 Å²	52.9	10%	0.097	30%	0.295	C	S	.	.	H	α-helix	trans	-66.9	-44.1	174.9	-65.1	161.8	0	0	0	110.2	Q16 A17 S18 A22 S23 H133 V138 W598	Q16-I20 WeakPolarHBondContact O-CG1 3.3Å; Q16-I20 PolarHBondContact O-N 2.97Å; A17-I20 PolarHBondContact O-N 2.65Å; A17-I20 VanDerWaalsContact O-N 3.14Å; S18-I20 VanDerWaalsContact C-N 3.34Å; S18-I20 PolarHBondContact O-N 3.13Å; I20-A22 VanDerWaalsContact C-N 3.31Å; I20-A22 PolarHBondContact O-N 3.2Å; I20-S23 VanDerWaalsContact O-CB 3.32Å; I20-S23 WeakPolarHBondContact O-CB 3.17Å; I20-S23 PolarHBondContact O-N 3.19Å; I20-S23 VanDerWaalsContact O-N 3.1Å; I20-S23 PolarHBondContact O-OG 3.35Å; I20-H133 PolarHBondContact O-CE1 3.32Å; I20-V138 HydrophobicContact CB-CG1 4.2Å; I20-V138 HydrophobicContact CG2-CG1 3.68Å; I20-W598 HydrophobicContact CD1-CB 4.04Å; I20-W598 HydrophobicContact CD1-CD2 3.86Å; I20-W598 HydrophobicContact CD1-CE3 3.27Å; I20-W598 HydrophobicContact CD1-CG 4.21Å; I20-W598 HydrophobicContact CD1-CZ3 4Å
21	I	82.2	Confident	72.3	Confident	15 Å²	15	54.6 Å²	54.6	8%	0.077	31%	0.307	C	S	.	.	H	α-helix	trans	-59.8	-45.1	176.4	-65	162.9	0	0	0	110.3	A17 S18 S23 G24 V138	A17-I21 VanDerWaalsContact O-CG1 3.29Å; A17-I21 WeakPolarHBondContact O-CG1 3.2Å; A17-I21 PolarHBondContact O-N 3Å; S18-I21 PolarHBondContact O-N 3.01Å; I21-S23 PolarHBondContact O-N 3.45Å; I21-G24 PolarHBondContact O-N 3.48Å; I21-V138 HydrophobicContact CD1-CG2 4.49Å; I21-V138 HydrophobicContact CG1-CG1 3.87Å
22	A	83.6	Confident	74.1	Confident	85 Å²	85	51.5 Å²	51.5	70%	0.702	30%	0.295	S	S	*	.	H	α-helix	trans	-64.5	-20.6	178	0	0	0	0	0	113.4	S18 D19 I20 G24	S18-A22 VanDerWaalsContact O-CB 3.26Å; S18-A22 WeakPolarHBondContact O-CB 3.45Å; S18-A22 PolarHBondContact O-N 2.98Å; D19-A22 PolarHBondContact O-N 3.24Å; I20-A22 VanDerWaalsContact C-N 3.31Å; I20-A22 PolarHBondContact O-N 3.2Å; A22-G24 PolarHBondContact O-N 3.42Å
23	S	79.9	Confident	75.7	Confident	47 Å²	47	55.5 Å²	55.5	33%	0.329	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-10.9	172.3	81.7	0	0	0	0	113.4	D19 I20 I21 K26	D19-S23 PolarHBondContact O-N 2.76Å; D19-S23 VanDerWaalsContact O-N 3.13Å; I20-S23 VanDerWaalsContact O-CB 3.32Å; I20-S23 WeakPolarHBondContact O-CB 3.17Å; I20-S23 PolarHBondContact O-N 3.19Å; I20-S23 VanDerWaalsContact O-N 3.1Å; I20-S23 PolarHBondContact O-OG 3.35Å; I21-S23 PolarHBondContact O-N 3.45Å; S23-K26 WeakPolarHBondContact O-CB 3.25Å
24	G	71.5	Confident	77.2	Confident	31 Å²	31	57.8 Å²	57.8	32%	0.32	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	64.4	-147.6	173.8	0	0	0	0	0	113.2	I21 A22 K26 H133	I21-G24 PolarHBondContact O-N 3.48Å; A22-G24 PolarHBondContact O-N 3.42Å; G24-K26 PolarHBondContact O-N 2.91Å; G24-H133 PolarHBondContact O-CE1 3.21Å
25	E	63.7	Low	78.4	Confident	176 Å²	176	57.2 Å²	57.2	82%	0.822	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-73.1	12	-176.7	-61.2	-170.1	166.4	0	0	114.3	F27 A28	E25-F27 CarbonylContact O-C 3.59Å; E25-F27 PolarHBondContact O-N 2.86Å; E25-A28 PolarHBondContact O-N 3.09Å
26	K	63.3	Low	79.2	Confident	171 Å²	171	57 Å²	57	74%	0.743	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-56.9	-23.3	174.7	-157.1	176.3	-174.6	-178.8	0	111.9	S23 G24	S23-K26 WeakPolarHBondContact O-CB 3.25Å; G24-K26 PolarHBondContact O-N 2.91Å
27	F	62.2	Low	80	Confident	29 Å²	29	57 Å²	57	13%	0.127	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-117.7	74.7	166.2	-50.7	-81.4	0	0	0	108.9	E25 W29 Y434 F437	E25-F27 CarbonylContact O-C 3.59Å; E25-F27 PolarHBondContact O-N 2.86Å; F27-W29 VanDerWaalsContact C-N 3.28Å; F27-W29 PolarHBondContact O-N 3.46Å; F27-Y434 HydrophobicContact CD1-CD1 4.07Å; F27-Y434 HydrophobicContact CD1-CE1 4.02Å; F27-F437 HydrophobicContact CE1-CB 4.09Å; F27-F437 AromaticContact CE1-CD1 3.63Å; F27-F437 HydrophobicContact CE1-CD1 3.63Å; F27-F437 AromaticContact CE1-CD2 3.8Å; F27-F437 HydrophobicContact CE1-CD2 3.8Å; F27-F437 AromaticContact CE1-CE1 3.94Å; F27-F437 HydrophobicContact CE1-CE1 3.94Å; F27-F437 HydrophobicContact CE1-CE2 4.08Å; F27-F437 AromaticContact CE1-CG 3.55Å; F27-F437 HydrophobicContact CE1-CG 3.55Å; F27-F437 HydrophobicContact CE1-CZ 4.15Å; F27-F437 AromaticContact CZ-CD1 3.57Å; F27-F437 HydrophobicContact CZ-CD1 3.57Å; F27-F437 HydrophobicContact CZ-CD2 4.49Å; F27-F437 AromaticContact CZ-CE1 3.67Å; F27-F437 HydrophobicContact CZ-CE1 3.67Å; F27-F437 HydrophobicContact CZ-CG 4.01Å; F27-F437 HydrophobicContact CZ-CZ 4.17Å
28	A	57.2	Low	80.7	Confident	42 Å²	42	62.5 Å²	62.5	35%	0.347	35%	0.351	S	S	.	.			trans	-71.6	85.3	177.5	0	0	0	0	0	109.9	E25	E25-A28 PolarHBondContact O-N 3.09Å
29	W	71.5	Confident	81.2	Confident	11 Å²	11	64 Å²	64	4%	0.042	36%	0.356	C	S	.	.			trans	-80.6	147.6	168.2	-54	98.4	0	0	0	109.2	F27 L132 H133 Y434 L438 R444	F27-W29 VanDerWaalsContact C-N 3.28Å; F27-W29 PolarHBondContact O-N 3.46Å; W29-L132 HydrophobicContact CB-CD1 3.44Å; W29-L132 VanDerWaalsContact CB-CD1 3.44Å; W29-L132 HydrophobicContact CG-CD1 4.09Å; W29-H133 WeakPolarHBondContact CB-O 3.05Å; W29-Y434 HydrophobicContact CE3-CE2 4.37Å; W29-Y434 AromaticContact CH2-CD1 3.52Å; W29-Y434 HydrophobicContact CH2-CD1 3.52Å; W29-Y434 AromaticContact CH2-CD2 3.37Å; W29-Y434 HydrophobicContact CH2-CD2 3.37Å; W29-Y434 AromaticContact CH2-CE1 3.67Å; W29-Y434 HydrophobicContact CH2-CE1 3.67Å; W29-Y434 AromaticContact CH2-CE2 3.5Å; W29-Y434 HydrophobicContact CH2-CE2 3.5Å; W29-Y434 VanDerWaalsContact CH2-CE2 3.5Å; W29-Y434 AromaticContact CH2-CG 3.37Å; W29-Y434 HydrophobicContact CH2-CG 3.37Å; W29-Y434 AromaticContact CH2-CZ 3.65Å; W29-Y434 AromaticContact CZ2-CD1 3.68Å; W29-Y434 HydrophobicContact CZ2-CD1 3.68Å; W29-Y434 HydrophobicContact CZ2-CD2 4.35Å; W29-Y434 AromaticContact CZ2-CE1 3.75Å; W29-Y434 HydrophobicContact CZ2-CE1 3.75Å; W29-Y434 HydrophobicContact CZ2-CE2 4.39Å; W29-Y434 AromaticContact CZ2-CG 3.99Å; W29-Y434 HydrophobicContact CZ2-CG 3.99Å; W29-Y434 HydrophobicContact CZ3-CD1 4.45Å; W29-Y434 AromaticContact CZ3-CD2 3.73Å; W29-Y434 HydrophobicContact CZ3-CD2 3.73Å; W29-Y434 HydrophobicContact CZ3-CE1 4.27Å; W29-Y434 AromaticContact CZ3-CE2 3.48Å; W29-Y434 HydrophobicContact CZ3-CE2 3.48Å; W29-Y434 VanDerWaalsContact CZ3-CE2 3.48Å; W29-Y434 HydrophobicContact CZ3-CG 4.2Å; W29-Y434 AromaticContact CZ3-CZ 3.78Å; W29-L438 HydrophobicContact CH2-CD1 3.48Å; W29-L438 VanDerWaalsContact CH2-CD1 3.48Å; W29-L438 HydrophobicContact CH2-CD2 4.34Å; W29-L438 HydrophobicContact CH2-CG 4.08Å; W29-L438 HydrophobicContact CZ2-CD1 4.1Å; W29-L438 HydrophobicContact CZ2-CD2 4.12Å; W29-L438 HydrophobicContact CZ2-CG 4.24Å; W29-L438 HydrophobicContact CZ3-CD1 4.3Å; W29-R444 VanDerWaalsContact CE3-CZ 3.49Å; W29-R444 VanDerWaalsContact CZ3-CZ 3.47Å
30	V	76.8	Confident	81.4	Confident	20 Å²	20	61.6 Å²	61.6	12%	0.121	35%	0.345	C	S	.	.	S	Bend	trans	72.4	48.5	177.9	-164.4	0	0	0	0	113.9	L132 Y134 Y385 L389	V30-L132 HydrophobicContact CG2-CD1 3.75Å; V30-Y134 HydrophobicContact CB-CD2 4.09Å; V30-Y134 HydrophobicContact CB-CE2 4.03Å; V30-Y134 HydrophobicContact CG1-CE2 4.35Å; V30-Y134 HydrophobicContact CG2-CD2 4.27Å; V30-Y385 HydrophobicContact CG1-CD2 3.97Å; V30-Y385 HydrophobicContact CG1-CG 4.32Å; V30-Y385 VanDerWaalsContact CG1-O 3.29Å; V30-Y385 WeakPolarHBondContact CG1-O 3.08Å; V30-Y385 HydrophobicContact CG2-CE2 4.47Å; V30-L389 HydrophobicContact CG2-CD2 4.18Å
31	S	82.5	Confident	81.3	Confident	62 Å²	62	68.1 Å²	68.1	43%	0.434	37%	0.373	S	S	.	.			trans	-103.9	-34.2	-177.6	84.1	0	0	0	0	113.7	E391	S31-E391 PolarHBondContact N-OE2 3.22Å; S31-E391 VanDerWaalsContact OG-CD 3.31Å; S31-E391 PolarHBondContact OG-OE1 3.22Å; S31-E391 PolarHBondContact OG-OE2 2.75Å
32	R	89.8	Confident	80.9	Confident	33 Å²	33	70.8 Å²	70.8	13%	0.125	39%	0.39	C	S	.	.			trans	-66.2	142.6	-175.3	68.7	178.9	-177.2	-178	1	113.7	S34 Q384 M387 E391 E453	R32-S34 WeakPolarHBondContact CD-O 3.44Å; R32-Q384 PolarHBondContact O-NE2 2.76Å; R32-M387 PolarHBondContact NE-O 2.91Å; R32-M387 PolarHBondContact NH2-O 2.9Å; R32-E391 HydrophobicContact CB-CG 4.49Å; R32-E391 HydrophobicContact CG-CB 4.2Å; R32-E391 HydrophobicContact CG-CG 4.27Å; R32-E391 PolarHBondContact N-OE2 3.07Å; R32-E453 IonicContact CZ-OE1 2.65Å; R32-E453 IonicContact CZ-OE2 2.74Å; R32-E453 VanDerWaalsContact NH1-CD 3.26Å; R32-E453 IonicContact NH1-OE1 2.65Å; R32-E453 PolarHBondContact NH1-OE1 3.14Å; R32-E453 IonicContact NH1-OE2 3.05Å; R32-E453 PolarHBondContact NH1-OE2 2.72Å; R32-E453 IonicContact NH2-OE1 3.09Å; R32-E453 PolarHBondContact NH2-OE1 3.1Å; R32-E453 IonicContact NH2-OE2 3.36Å
33	K	90	Very high	80.4	Confident	143 Å²	143	75.2 Å²	75.2	62%	0.622	40%	0.402	S	S	*	.	S	Bend	trans	-95.1	-9.1	-178.8	-57.7	-57.7	-178	-171.3	0	114.8	Q384	K33-Q384 VanDerWaalsContact CD-OE1 3.29Å
34	S	94.1	Very high	80.2	Confident	52 Å²	52	76.3 Å²	76.3	36%	0.364	40%	0.401	S	S	.	.	S	Bend	trans	-152.7	159.5	178.6	57.5	0	0	0	0	110.5	R32	R32-S34 WeakPolarHBondContact CD-O 3.44Å
35	L	94.8	Very high	80.5	Confident	3 Å²	3	77.8 Å²	77.8	2%	0.016	41%	0.406	C	S	.	.			trans	-76.4	157.3	167.3	-54.9	-177.7	0	0	0	110.2	C37 P70 Y379 Y380 F382	L35-C37 VanDerWaalsContact C-N 3.27Å; L35-C37 PolarHBondContact O-N 3.13Å; L35-P70 HydrophobicContact CD1-CG 4Å; L35-Y379 HydrophobicContact CB-CD1 3.6Å; L35-Y379 HydrophobicContact CB-CE1 3.84Å; L35-Y379 HydrophobicContact CB-CG 4.4Å; L35-Y379 HydrophobicContact CD1-CD1 3.95Å; L35-Y379 HydrophobicContact CD1-CG 4.37Å; L35-Y379 HydrophobicContact CG-CD1 3.8Å; L35-Y379 HydrophobicContact CG-CE1 4.49Å; L35-Y379 HydrophobicContact CG-CG 4.18Å; L35-Y380 HydrophobicContact CD1-CD2 4Å; L35-Y380 HydrophobicContact CD1-CE2 4.25Å; L35-F382 HydrophobicContact CD1-CD2 4.07Å; L35-F382 HydrophobicContact CD1-CE2 4.04Å; L35-F382 HydrophobicContact CD2-CD2 4.35Å; L35-F382 HydrophobicContact CD2-CE2 4.5Å
36	P	92.9	Very high	81	Confident	82 Å²	82	71 Å²	71	53%	0.532	38%	0.377	S	S	.	.	S	Bend	trans	-54.2	-40.8	174.4	-26.1	33.9	0	0	0	113.3	M454	P36-M454 HydrophobicContact CB-CG 4.47Å
37	C	94.8	Very high	81.7	Confident	46 Å²	46	67.8 Å²	67.8	31%	0.311	36%	0.36	S	S	.	.	S	Bend	trans	-128	148.7	178.1	-166.6	0	0	0	0	111.5	L35 Y379 E453	L35-C37 VanDerWaalsContact C-N 3.27Å; L35-C37 PolarHBondContact O-N 3.13Å; C37-Y379 WeakPolarHBondContact O-CE1 3.26Å; C37-E453 WeakPolarHBondContact CB-O 3.32Å; C37-E453 PolarHBondContact N-O 3.47Å
38	K	95.1	Very high	82.6	Confident	114 Å²	114	69 Å²	69	50%	0.496	38%	0.375	S	S	.	.			trans	-69.8	153.7	169.8	-65	-173.1	176.7	-160.5	0	109.4	V40 D378 Y379	K38-V40 PolarHBondContact O-N 3.44Å; K38-D378 CarbonylContact C-O 3.47Å; K38-D378 WeakPolarHBondContact CA-O 3.28Å; K38-D378 HydrophobicContact CB-CB 4.4Å; K38-D378 HydrophobicContact CD-CB 3.91Å; K38-D378 WeakPolarHBondContact CE-OD2 3.36Å; K38-D378 HydrophobicContact CG-CB 4.05Å; K38-D378 IonicContact NZ-OD2 3.65Å; K38-D378 PolarHBondContact NZ-OD2 3.09Å; K38-Y379 HydrophobicContact CB-CE1 4.38Å; K38-Y379 HydrophobicContact CG-CE1 3.91Å
39	M	92.8	Very high	83.7	Confident	57 Å²	57	68.2 Å²	68.2	28%	0.281	36%	0.364	S	S	.	.			trans	-59.6	135.5	174.9	79.4	177.9	-67.8	0	0	110.4	K41 D378 Y380	M39-K41 HydrophobicContact CG-CG 4.4Å; M39-K41 PolarHBondContact O-N 2.81Å; M39-D378 PolarHBondContact N-O 2.56Å; M39-Y380 HydrophobicContact CB-CD1 4.04Å; M39-Y380 HydrophobicContact CB-CD2 3.9Å; M39-Y380 HydrophobicContact CB-CE1 3.67Å; M39-Y380 HydrophobicContact CB-CE2 3.49Å; M39-Y380 VanDerWaalsContact CB-CE2 3.49Å; M39-Y380 HydrophobicContact CB-CG 4.15Å; M39-Y380 HydrophobicContact CE-CD1 4.03Å; M39-Y380 HydrophobicContact CE-CE1 4.12Å; M39-Y380 HydrophobicContact SD-CD1 4.42Å
40	V	87.2	Confident	83.9	Confident	56 Å²	56	70 Å²	70	34%	0.339	38%	0.376	S	S	.	.			trans	-73.7	114.7	171.7	-176.1	0	0	0	0	107.8	K38 T42 I66 I457	K38-V40 PolarHBondContact O-N 3.44Å; V40-T42 HydrophobicContact CG1-CG2 3.8Å; V40-I66 HydrophobicContact CB-CD1 4.2Å; V40-I66 HydrophobicContact CG1-CD1 4.5Å; V40-I457 HydrophobicContact CB-CD1 4.47Å; V40-I457 HydrophobicContact CG2-CD1 3.82Å; V40-I457 HydrophobicContact CG2-CG1 3.93Å
41	K	81.8	Confident	84	Confident	156 Å²	156	74.4 Å²	74.4	68%	0.678	39%	0.394	S	S	*	.			trans	-80.3	120.9	175.2	-66.4	-178.9	-176.3	172.2	0	108.5	M39	M39-K41 HydrophobicContact CG-CG 4.4Å; M39-K41 PolarHBondContact O-N 2.81Å
42	T	73.8	Confident	83.9	Confident	71 Å²	71	77.2 Å²	77.2	44%	0.436	40%	0.4	S	S	.	.			trans	-134.5	141.6	178	69.6	0	0	0	0	110.3	V40 F44 I66	V40-T42 HydrophobicContact CG1-CG2 3.8Å; T42-F44 PolarHBondContact O-N 3.3Å; T42-I66 HydrophobicContact CG2-CD1 3.71Å; T42-I66 HydrophobicContact CG2-CG1 3.68Å; T42-I66 WeakPolarHBondContact OG1-CG1 3.46Å
43	D	72.2	Confident	83.3	Confident	178 Å²	178	76.3 Å²	76.3	95%	0.952	40%	0.398	S	S	*	.			trans	-78.8	51.9	173.8	-64.7	-32.3	0	0	0	111.8	S45	D43-S45 PolarHBondContact O-N 3.48Å
44	F	75.5	Confident	82.6	Confident	70 Å²	70	75.2 Å²	75.2	31%	0.307	40%	0.398	S	S	.	.			trans	-69.7	119.2	179.6	-178	-86.7	0	0	0	110.6	T42 V46 F49 P64 I66 L67	T42-F44 PolarHBondContact O-N 3.3Å; F44-V46 HydrophobicContact CD1-CG2 4.33Å; F44-V46 HydrophobicContact CE1-CG2 4.45Å; F44-V46 PolarHBondContact O-N 3.22Å; F44-F49 HydrophobicContact CE1-CB 3.84Å; F44-F49 HydrophobicContact CE1-CG 4.38Å; F44-F49 HydrophobicContact CZ-CB 3.46Å; F44-F49 VanDerWaalsContact CZ-CB 3.46Å; F44-F49 HydrophobicContact CZ-CD2 4.24Å; F44-F49 AromaticContact CZ-CG 3.84Å; F44-F49 HydrophobicContact CZ-CG 3.84Å; F44-P64 HydrophobicContact CE2-CB 3.97Å; F44-P64 HydrophobicContact CE2-CG 3.98Å; F44-P64 HydrophobicContact CZ-CB 4.01Å; F44-P64 HydrophobicContact CZ-CG 3.72Å; F44-I66 HydrophobicContact CB-CG2 4.05Å; F44-I66 HydrophobicContact CD2-CG2 3.7Å; F44-I66 HydrophobicContact CE2-CG2 4.3Å; F44-I66 HydrophobicContact CG-CG2 3.85Å; F44-L67 HydrophobicContact CD1-CD1 4.3Å; F44-L67 HydrophobicContact CD1-CD2 3.55Å; F44-L67 HydrophobicContact CD1-CG 4.03Å; F44-L67 HydrophobicContact CE1-CD1 3.69Å; F44-L67 HydrophobicContact CE1-CD2 3.82Å; F44-L67 HydrophobicContact CE1-CG 3.88Å; F44-L67 HydrophobicContact CG-CD2 4.37Å; F44-L67 HydrophobicContact CZ-CD1 4.25Å; F44-L67 HydrophobicContact CZ-CG 4.49Å
45	S	79.2	Confident	81.5	Confident	62 Å²	62	76.9 Å²	76.9	43%	0.434	42%	0.424	S	S	.	.			trans	-83	103.9	175	-178.5	0	0	0	0	111.2	D43 W47 A48 F49	D43-S45 PolarHBondContact O-N 3.48Å; S45-W47 PolarHBondContact O-N 3.17Å; S45-A48 PolarHBondContact O-N 2.91Å; S45-A48 VanDerWaalsContact O-N 3.13Å; S45-A48 PolarHBondContact OG-N 2.67Å; S45-A48 VanDerWaalsContact OG-N 3.16Å; S45-F49 PolarHBondContact O-N 2.63Å; S45-F49 VanDerWaalsContact O-N 3.12Å
46	V	74.4	Confident	80.4	Confident	34 Å²	34	82.3 Å²	82.3	21%	0.206	45%	0.447	C	S	.	.	H	α-helix	trans	-53.6	-40.3	171.4	177.8	0	0	0	0	110.8	F44 F49 V50 L67	F44-V46 HydrophobicContact CD1-CG2 4.33Å; F44-V46 HydrophobicContact CE1-CG2 4.45Å; F44-V46 PolarHBondContact O-N 3.22Å; V46-F49 PolarHBondContact O-N 3.46Å; V46-V50 HydrophobicContact CG1-CG2 4.24Å; V46-V50 VanDerWaalsContact O-CG2 3.32Å; V46-V50 WeakPolarHBondContact O-CG2 3.46Å; V46-V50 PolarHBondContact O-N 3.4Å; V46-L67 HydrophobicContact CG2-CD2 4.1Å
47	W	76.4	Confident	79.2	Confident	102 Å²	102	83.8 Å²	83.8	39%	0.386	45%	0.447	S	S	.	.	H	α-helix	trans	-65.1	-41.9	178.2	-179.8	-134.1	0	0	0	113.1	S45 F49 V50 K51 L209	S45-W47 PolarHBondContact O-N 3.17Å; W47-F49 VanDerWaalsContact C-N 3.28Å; W47-F49 PolarHBondContact O-N 3.1Å; W47-V50 HydrophobicContact CE3-CB 4.34Å; W47-V50 HydrophobicContact CE3-CG1 4.3Å; W47-V50 HydrophobicContact CZ3-CG1 4.28Å; W47-V50 PolarHBondContact O-N 3.46Å; W47-K51 HydrophobicContact CD2-CG 4.21Å; W47-K51 HydrophobicContact CE3-CG 4.44Å; W47-K51 HydrophobicContact CZ2-CD 4.48Å; W47-K51 HydrophobicContact CZ2-CG 4.27Å; W47-K51 WeakPolarHBondContact O-CB 3.45Å; W47-K51 WeakPolarHBondContact O-CG 3.41Å; W47-K51 PolarHBondContact O-N 2.92Å; W47-L209 HydrophobicContact CD2-CD2 4.3Å; W47-L209 HydrophobicContact CE3-CD1 4.38Å; W47-L209 HydrophobicContact CE3-CD2 3.54Å; W47-L209 HydrophobicContact CZ3-CD1 4.29Å; W47-L209 HydrophobicContact CZ3-CD2 4.06Å
48	A	81.5	Confident	77.5	Confident	55 Å²	55	87.7 Å²	87.7	46%	0.455	46%	0.464	S	S	.	.	H	α-helix	trans	-60.8	-41.4	175.5	0	0	0	0	0	111.3	S45 K51 Q52	S45-A48 PolarHBondContact O-N 2.91Å; S45-A48 VanDerWaalsContact O-N 3.13Å; S45-A48 PolarHBondContact OG-N 2.67Å; S45-A48 VanDerWaalsContact OG-N 3.16Å; A48-K51 PolarHBondContact O-N 2.98Å; A48-Q52 PolarHBondContact O-N 2.54Å
49	F	81.5	Confident	75.9	Confident	26 Å²	26	85.9 Å²	85.9	11%	0.114	47%	0.466	C	S	.	.	H	α-helix	trans	-66.3	-46.7	175.6	175.5	-106.5	0	0	0	112.9	F44 S45 V46 W47 K51 Q52 C53 I61 M63 P64	F44-F49 HydrophobicContact CE1-CB 3.84Å; F44-F49 HydrophobicContact CE1-CG 4.38Å; F44-F49 HydrophobicContact CZ-CB 3.46Å; F44-F49 VanDerWaalsContact CZ-CB 3.46Å; F44-F49 HydrophobicContact CZ-CD2 4.24Å; F44-F49 AromaticContact CZ-CG 3.84Å; F44-F49 HydrophobicContact CZ-CG 3.84Å; S45-F49 PolarHBondContact O-N 2.63Å; S45-F49 VanDerWaalsContact O-N 3.12Å; V46-F49 PolarHBondContact O-N 3.46Å; W47-F49 VanDerWaalsContact C-N 3.28Å; W47-F49 PolarHBondContact O-N 3.1Å; F49-K51 VanDerWaalsContact C-N 3.29Å; F49-K51 PolarHBondContact O-N 3.38Å; F49-Q52 WeakPolarHBondContact O-CB 3.13Å; F49-Q52 PolarHBondContact O-N 3.38Å; F49-C53 VanDerWaalsContact CZ-SG 3.51Å; F49-C53 PolarHBondContact O-N 3.27Å; F49-C53 PolarHBondContact O-SG 3.21Å; F49-I61 HydrophobicContact CE2-CG2 3.98Å; F49-I61 HydrophobicContact CZ-CG2 3.68Å; F49-M63 HydrophobicContact CD1-SD 4.38Å; F49-M63 HydrophobicContact CE1-SD 3.62Å; F49-M63 HydrophobicContact CZ-SD 4.18Å; F49-P64 HydrophobicContact CD2-CG 3.66Å; F49-P64 HydrophobicContact CE2-CG 3.54Å; F49-P64 HydrophobicContact CG-CG 4.21Å; F49-P64 HydrophobicContact CZ-CG 4.01Å
50	V	74.6	Confident	74.7	Confident	48 Å²	48	89.6 Å²	89.6	29%	0.291	48%	0.48	S	S	.	.	H	α-helix	trans	-57.2	-45.1	175.5	169.9	0	0	0	0	110.1	V46 W47 Q52 C53 I54	V46-V50 HydrophobicContact CG1-CG2 4.24Å; V46-V50 VanDerWaalsContact O-CG2 3.32Å; V46-V50 WeakPolarHBondContact O-CG2 3.46Å; V46-V50 PolarHBondContact O-N 3.4Å; W47-V50 HydrophobicContact CE3-CB 4.34Å; W47-V50 HydrophobicContact CE3-CG1 4.3Å; W47-V50 HydrophobicContact CZ3-CG1 4.28Å; W47-V50 PolarHBondContact O-N 3.46Å; V50-Q52 VanDerWaalsContact C-N 3.31Å; V50-Q52 PolarHBondContact O-N 3.48Å; V50-C53 WeakPolarHBondContact O-CB 3.28Å; V50-C53 PolarHBondContact O-N 3.25Å; V50-I54 WeakPolarHBondContact O-CG1 3.41Å; V50-I54 PolarHBondContact O-N 3.08Å
51	K	79	Confident	73.9	Confident	113 Å²	113	89.2 Å²	89.2	49%	0.491	48%	0.476	S	S	.	.	H	α-helix	trans	-57	-42.7	174.1	-77.4	-170.8	-170.9	178.2	0	112.6	W47 A48 F49 C53 I54	W47-K51 HydrophobicContact CD2-CG 4.21Å; W47-K51 HydrophobicContact CE3-CG 4.44Å; W47-K51 HydrophobicContact CZ2-CD 4.48Å; W47-K51 HydrophobicContact CZ2-CG 4.27Å; W47-K51 WeakPolarHBondContact O-CB 3.45Å; W47-K51 WeakPolarHBondContact O-CG 3.41Å; W47-K51 PolarHBondContact O-N 2.92Å; A48-K51 PolarHBondContact O-N 2.98Å; F49-K51 VanDerWaalsContact C-N 3.29Å; F49-K51 PolarHBondContact O-N 3.38Å; K51-C53 PolarHBondContact O-N 3.05Å; K51-I54 WeakPolarHBondContact O-CB 3.39Å; K51-I54 PolarHBondContact O-N 3.28Å
52	Q	80.1	Confident	73.6	Confident	120 Å²	120	83.4 Å²	83.4	56%	0.561	45%	0.454	S	S	*	.	H	α-helix	trans	-65.2	-24.5	178	-164.6	-171.3	16.2	0	0	112.9	A48 F49 V50 K56	A48-Q52 PolarHBondContact O-N 2.54Å; F49-Q52 WeakPolarHBondContact O-CB 3.13Å; F49-Q52 PolarHBondContact O-N 3.38Å; V50-Q52 VanDerWaalsContact C-N 3.31Å; V50-Q52 PolarHBondContact O-N 3.48Å; Q52-K56 WeakPolarHBondContact O-CD 3.35Å; Q52-K56 VanDerWaalsContact O-CE 3.28Å; Q52-K56 WeakPolarHBondContact O-CE 3.42Å
53	C	76.9	Confident	73.8	Confident	14 Å²	14	83.1 Å²	83.1	10%	0.095	45%	0.448	C	S	.	.	H	α-helix	trans	-82.5	-18.7	176.9	-61.6	0	0	0	0	113.3	F49 V50 K51 G55 K56 L58 I61	F49-C53 VanDerWaalsContact CZ-SG 3.51Å; F49-C53 PolarHBondContact O-N 3.27Å; F49-C53 PolarHBondContact O-SG 3.21Å; V50-C53 WeakPolarHBondContact O-CB 3.28Å; V50-C53 PolarHBondContact O-N 3.25Å; K51-C53 PolarHBondContact O-N 3.05Å; C53-G55 PolarHBondContact O-N 3.13Å; C53-K56 PolarHBondContact O-N 3.41Å; C53-K56 VanDerWaalsContact O-N 3.1Å; C53-L58 HydrophobicContact CB-CD2 4.01Å; C53-I61 HydrophobicContact CB-CD1 3.56Å; C53-I61 WeakPolarHBondContact SG-CD1 3.31Å
54	I	75.7	Confident	74.4	Confident	121 Å²	121	76.1 Å²	76.1	62%	0.621	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	128.5	-179.4	-64.1	173.7	0	0	0	109.4	V50 K51 K56	V50-I54 WeakPolarHBondContact O-CG1 3.41Å; V50-I54 PolarHBondContact O-N 3.08Å; K51-I54 WeakPolarHBondContact O-CB 3.39Å; K51-I54 PolarHBondContact O-N 3.28Å; I54-K56 VanDerWaalsContact C-N 3.27Å; I54-K56 PolarHBondContact O-N 2.92Å
55	G	70.9	Confident	75.1	Confident	87 Å²	87	73.3 Å²	73.3	90%	0.897	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-5.5	-179.3	0	0	0	0	0	115.1	C53	C53-G55 PolarHBondContact O-N 3.13Å
56	K	72.2	Confident	75.6	Confident	117 Å²	117	72.1 Å²	72.1	51%	0.509	39%	0.389	S	S	.	.	S	Bend	trans	-93.3	156.3	174.1	-66.4	-175.3	-176.1	179	0	111.4	Q52 C53 I54 L58 I61	Q52-K56 WeakPolarHBondContact O-CD 3.35Å; Q52-K56 VanDerWaalsContact O-CE 3.28Å; Q52-K56 WeakPolarHBondContact O-CE 3.42Å; C53-K56 PolarHBondContact O-N 3.41Å; C53-K56 VanDerWaalsContact O-N 3.1Å; I54-K56 VanDerWaalsContact C-N 3.27Å; I54-K56 PolarHBondContact O-N 2.92Å; K56-L58 PolarHBondContact O-N 2.91Å; K56-I61 HydrophobicContact CB-CD1 3.78Å; K56-I61 HydrophobicContact CB-CG1 4.44Å; K56-I61 HydrophobicContact CD-CD1 4.25Å
57	E	67.2	Low	76.2	Confident	113 Å²	113	72.5 Å²	72.5	53%	0.528	39%	0.389	S	S	.	.			trans	-71.1	99.8	171.5	-162.4	-171.1	164.4	0	0	109.5	S59 K60	E57-S59 WeakPolarHBondContact CG-OG 3.5Å; E57-S59 PolarHBondContact O-N 2.95Å; E57-S59 PolarHBondContact OE1-OG 3.37Å; E57-S59 VanDerWaalsContact OE1-OG 3.1Å; E57-K60 HydrophobicContact CB-CD 4.44Å; E57-K60 PolarHBondContact O-N 3.29Å; E57-K60 WeakPolarHBondContact OE2-CD 3.29Å; E57-K60 WeakPolarHBondContact OE2-CE 3.39Å; E57-K60 IonicContact OE2-NZ 3.38Å; E57-K60 PolarHBondContact OE2-NZ 3.09Å
58	L	59.2	Low	77	Confident	128 Å²	128	67.7 Å²	67.7	67%	0.67	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-52.4	-30.3	-174.1	-70.9	169.1	0	0	0	114	C53 K56 K60 I61	C53-L58 HydrophobicContact CB-CD2 4.01Å; K56-L58 PolarHBondContact O-N 2.91Å; L58-K60 PolarHBondContact O-N 3.36Å; L58-I61 HydrophobicContact CD2-CD1 4.17Å; L58-I61 PolarHBondContact O-N 2.95Å
59	S	61.8	Low	77.7	Confident	76 Å²	76	65.1 Å²	65.1	53%	0.531	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-63.1	-19.6	179.2	68.5	0	0	0	0	113.9	E57	E57-S59 WeakPolarHBondContact CG-OG 3.5Å; E57-S59 PolarHBondContact O-N 2.95Å; E57-S59 PolarHBondContact OE1-OG 3.37Å; E57-S59 VanDerWaalsContact OE1-OG 3.1Å
60	K	68.4	Low	78.4	Confident	134 Å²	134	63.9 Å²	63.9	58%	0.583	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-100.5	-6.5	179.9	-68.3	177	177	156.1	0	113.4	E57 L58 T62	E57-K60 HydrophobicContact CB-CD 4.44Å; E57-K60 PolarHBondContact O-N 3.29Å; E57-K60 WeakPolarHBondContact OE2-CD 3.29Å; E57-K60 WeakPolarHBondContact OE2-CE 3.39Å; E57-K60 IonicContact OE2-NZ 3.38Å; E57-K60 PolarHBondContact OE2-NZ 3.09Å; L58-K60 PolarHBondContact O-N 3.36Å; K60-T62 PolarHBondContact O-N 2.89Å
61	I	70.1	Confident	79.5	Confident	48 Å²	48	61.6 Å²	61.6	25%	0.246	33%	0.33	C	S	.	.			trans	-88.1	110.7	-178.1	-53.6	179.9	0	0	0	108.5	F49 C53 K56 L58 M63	F49-I61 HydrophobicContact CE2-CG2 3.98Å; F49-I61 HydrophobicContact CZ-CG2 3.68Å; C53-I61 HydrophobicContact CB-CD1 3.56Å; C53-I61 WeakPolarHBondContact SG-CD1 3.31Å; K56-I61 HydrophobicContact CB-CD1 3.78Å; K56-I61 HydrophobicContact CB-CG1 4.44Å; K56-I61 HydrophobicContact CD-CD1 4.25Å; L58-I61 HydrophobicContact CD2-CD1 4.17Å; L58-I61 PolarHBondContact O-N 2.95Å; I61-M63 PolarHBondContact O-N 2.96Å
62	T	74.8	Confident	80.4	Confident	35 Å²	35	56.2 Å²	56.2	22%	0.215	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-71.7	124.4	169.6	-61.5	0	0	0	0	108.9	K60 K464 E468	K60-T62 PolarHBondContact O-N 2.89Å; T62-K464 HydrophobicContact CG2-CD 4.03Å; T62-K464 HydrophobicContact CG2-CG 4.22Å; T62-E468 WeakPolarHBondContact CB-OE2 3.29Å; T62-E468 WeakPolarHBondContact CG2-OE2 3.5Å; T62-E468 PolarHBondContact OG1-OE2 3.25Å
63	M	77.4	Confident	81.2	Confident	64 Å²	64	51.9 Å²	51.9	32%	0.315	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-59.4	134.1	175.7	-172.7	68.7	78	0	0	109.2	F49 I61 I65 L67 K464	F49-M63 HydrophobicContact CD1-SD 4.38Å; F49-M63 HydrophobicContact CE1-SD 3.62Å; F49-M63 HydrophobicContact CZ-SD 4.18Å; I61-M63 PolarHBondContact O-N 2.96Å; M63-I65 PolarHBondContact O-N 3.07Å; M63-L67 HydrophobicContact CG-CB 4.47Å; M63-L67 HydrophobicContact CG-CD1 4.2Å; M63-L67 HydrophobicContact SD-CD1 3.62Å; M63-K464 PolarHBondContact O-NZ 3.2Å
64	P	85.6	Confident	82.2	Confident	31 Å²	31	51.2 Å²	51.2	20%	0.201	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-55.2	133	175.5	-30.7	38.8	0	0	0	111.1	F44 F49 I66 L67	F44-P64 HydrophobicContact CE2-CB 3.97Å; F44-P64 HydrophobicContact CE2-CG 3.98Å; F44-P64 HydrophobicContact CZ-CB 4.01Å; F44-P64 HydrophobicContact CZ-CG 3.72Å; F49-P64 HydrophobicContact CD2-CG 3.66Å; F49-P64 HydrophobicContact CE2-CG 3.54Å; F49-P64 HydrophobicContact CG-CG 4.21Å; F49-P64 HydrophobicContact CZ-CG 4.01Å; P64-I66 HydrophobicContact CB-CG2 4.31Å; P64-I66 PolarHBondContact O-N 3.22Å; P64-L67 PolarHBondContact O-N 3.36Å
65	I	90.6	Very high	83.3	Confident	11 Å²	11	45.5 Å²	45.5	6%	0.056	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-64.6	-25.1	-174.9	-160	165.9	0	0	0	112.5	M63 L67 N68 F122 F452 I457 A460 A461 K464	M63-I65 PolarHBondContact O-N 3.07Å; I65-L67 PolarHBondContact O-N 3.39Å; I65-N68 WeakPolarHBondContact O-CA 3.42Å; I65-N68 VanDerWaalsContact O-CB 3.22Å; I65-N68 WeakPolarHBondContact O-CB 3.45Å; I65-N68 PolarHBondContact O-N 3.23Å; I65-F122 HydrophobicContact CD1-CE1 4.04Å; I65-F122 HydrophobicContact CD1-CZ 3.79Å; I65-F122 HydrophobicContact CG1-CE1 4.1Å; I65-F122 HydrophobicContact CG1-CZ 3.66Å; I65-F452 HydrophobicContact CD1-CB 4.1Å; I65-F452 HydrophobicContact CD1-CD2 4.04Å; I65-F452 HydrophobicContact CD1-CG 4.21Å; I65-F452 HydrophobicContact CG1-CD2 3.8Å; I65-F452 HydrophobicContact CG1-CE2 4.12Å; I65-F452 HydrophobicContact CG1-CG 4.11Å; I65-F452 HydrophobicContact CG2-CD2 4.39Å; I65-F452 HydrophobicContact CG2-CE2 4.37Å; I65-F452 WeakPolarHBondContact O-CE2 3.39Å; I65-F452 WeakPolarHBondContact O-CZ 3.39Å; I65-I457 HydrophobicContact CG2-CG2 3.86Å; I65-A460 VanDerWaalsContact CD1-C 3.46Å; I65-A460 HydrophobicContact CD1-CB 3.39Å; I65-A460 WeakPolarHBondContact CD1-O 3.38Å; I65-A461 HydrophobicContact CG2-CB 4.13Å; I65-K464 HydrophobicContact CB-CD 4.37Å; I65-K464 HydrophobicContact CD1-CD 4.32Å; I65-K464 HydrophobicContact CG1-CD 4.3Å
66	I	88.6	Confident	84.5	Confident	37 Å²	37	42.6 Å²	42.6	19%	0.19	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-67	-18.1	179.4	-158.1	56.5	0	0	0	113.9	V40 T42 F44 P64 N68	V40-I66 HydrophobicContact CB-CD1 4.2Å; V40-I66 HydrophobicContact CG1-CD1 4.5Å; T42-I66 HydrophobicContact CG2-CD1 3.71Å; T42-I66 HydrophobicContact CG2-CG1 3.68Å; T42-I66 WeakPolarHBondContact OG1-CG1 3.46Å; F44-I66 HydrophobicContact CB-CG2 4.05Å; F44-I66 HydrophobicContact CD2-CG2 3.7Å; F44-I66 HydrophobicContact CE2-CG2 4.3Å; F44-I66 HydrophobicContact CG-CG2 3.85Å; P64-I66 HydrophobicContact CB-CG2 4.31Å; P64-I66 PolarHBondContact O-N 3.22Å; I66-N68 VanDerWaalsContact C-N 3.27Å
67	L	87.8	Confident	85.6	Confident	42 Å²	42	37 Å²	37	22%	0.22	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-82.9	-8.6	171.8	-64.6	179.3	0	0	0	112.5	F44 V46 M63 P64 I65 K120	F44-L67 HydrophobicContact CD1-CD1 4.3Å; F44-L67 HydrophobicContact CD1-CD2 3.55Å; F44-L67 HydrophobicContact CD1-CG 4.03Å; F44-L67 HydrophobicContact CE1-CD1 3.69Å; F44-L67 HydrophobicContact CE1-CD2 3.82Å; F44-L67 HydrophobicContact CE1-CG 3.88Å; F44-L67 HydrophobicContact CG-CD2 4.37Å; F44-L67 HydrophobicContact CZ-CD1 4.25Å; F44-L67 HydrophobicContact CZ-CG 4.49Å; V46-L67 HydrophobicContact CG2-CD2 4.1Å; M63-L67 HydrophobicContact CG-CB 4.47Å; M63-L67 HydrophobicContact CG-CD1 4.2Å; M63-L67 HydrophobicContact SD-CD1 3.62Å; P64-L67 PolarHBondContact O-N 3.36Å; I65-L67 PolarHBondContact O-N 3.39Å; L67-K120 PolarHBondContact O-N 3.02Å
68	N	93.4	Very high	87.1	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.011	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	157.5	178.4	-72.8	99	0	0	0	111.7	I65 I66 K120 P121 F122 F452 K464	I65-N68 WeakPolarHBondContact O-CA 3.42Å; I65-N68 VanDerWaalsContact O-CB 3.22Å; I65-N68 WeakPolarHBondContact O-CB 3.45Å; I65-N68 PolarHBondContact O-N 3.23Å; I66-N68 VanDerWaalsContact C-N 3.27Å; N68-K120 CarbonylContact C-O 3.46Å; N68-K120 WeakPolarHBondContact CA-O 3.44Å; N68-K120 WeakPolarHBondContact CB-O 3.43Å; N68-K120 PolarHBondContact ND2-O 3.01Å; N68-P121 PolarHBondContact ND2-O 2.91Å; N68-F122 HydrophobicContact CB-CD2 3.99Å; N68-F122 HydrophobicContact CB-CE2 3.56Å; N68-F122 HydrophobicContact CB-CZ 3.98Å; N68-F452 HydrophobicContact CB-CE1 4.3Å; N68-F452 VanDerWaalsContact O-CE1 3.25Å; N68-F452 WeakPolarHBondContact O-CE1 3.35Å; N68-F452 WeakPolarHBondContact O-CZ 3.36Å; N68-K464 PolarHBondContact OD1-NZ 2.92Å
69	E	95.4	Very high	88.9	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	156.1	156.2	64.9	-175.6	-168.7	0	0	108.5	L71 R76 R117 K120 F122 Y380 F382	E69-L71 HydrophobicContact CG-CB 4.44Å; E69-L71 PolarHBondContact O-N 3.48Å; E69-R76 IonicContact OE1-CZ 3.75Å; E69-R76 IonicContact OE1-NE 3.82Å; E69-R76 PolarHBondContact OE1-NE 2.85Å; E69-R76 IonicContact OE1-NH2 3.76Å; E69-R76 PolarHBondContact OE1-NH2 2.94Å; E69-R76 IonicContact OE2-CZ 3.19Å; E69-R76 IonicContact OE2-NH2 2.67Å; E69-R76 PolarHBondContact OE2-NH2 2.88Å; E69-R117 IonicContact OE1-CZ 3.6Å; E69-R117 IonicContact OE1-NH2 3.21Å; E69-R117 PolarHBondContact OE1-NH2 3.08Å; E69-R117 IonicContact OE2-CZ 2.9Å; E69-R117 VanDerWaalsContact OE2-CZ 3.24Å; E69-R117 IonicContact OE2-NE 3.91Å; E69-R117 PolarHBondContact OE2-NE 2.98Å; E69-R117 IonicContact OE2-NH2 2.9Å; E69-R117 PolarHBondContact OE2-NH2 2.59Å; E69-K120 PolarHBondContact N-O 3.11Å; E69-F122 VanDerWaalsContact O-CD2 3.26Å; E69-F122 WeakPolarHBondContact O-CD2 3.42Å; E69-F122 VanDerWaalsContact O-CE2 3.27Å; E69-F122 WeakPolarHBondContact O-CE2 3.41Å; E69-Y380 HydrophobicContact CB-CD1 4.02Å; E69-Y380 HydrophobicContact CB-CG 4.26Å; E69-F382 HydrophobicContact CB-CE1 4.04Å; E69-F382 HydrophobicContact CB-CZ 3.96Å; E69-F382 HydrophobicContact CG-CE1 4.41Å; E69-F382 HydrophobicContact CG-CZ 4.33Å; E69-F382 WeakPolarHBondContact OE2-CE1 3.48Å
70	P	97.1	Very high	90.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	48	-174.1	32.5	-37.2	0	0	0	113.3	L35 Y380 F382 I449 F452 E453	L35-P70 HydrophobicContact CD1-CG 4Å; P70-Y380 VanDerWaalsContact CD-CE2 3.44Å; P70-Y380 HydrophobicContact CG-CD2 4.02Å; P70-Y380 HydrophobicContact CG-CE2 3.78Å; P70-F382 HydrophobicContact CG-CE2 4.15Å; P70-F382 HydrophobicContact CG-CZ 4.24Å; P70-I449 VanDerWaalsContact C-CG2 3.48Å; P70-I449 VanDerWaalsContact O-CG2 3.29Å; P70-I449 WeakPolarHBondContact O-CG2 3.42Å; P70-F452 HydrophobicContact CB-CD1 3.88Å; P70-F452 HydrophobicContact CB-CE1 4.46Å; P70-E453 HydrophobicContact CB-CB 3.67Å; P70-E453 HydrophobicContact CB-CG 3.86Å; P70-E453 HydrophobicContact CG-CB 4.44Å; P70-E453 HydrophobicContact CG-CG 4.16Å
71	L	97.8	Very high	92	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	141.9	175.2	-68	178.8	0	0	0	111.1	E69 Q75 P121 F122 F382 T386 L389 N390	E69-L71 HydrophobicContact CG-CB 4.44Å; E69-L71 PolarHBondContact O-N 3.48Å; L71-Q75 HydrophobicContact CB-CB 4.19Å; L71-Q75 HydrophobicContact CD2-CB 3.97Å; L71-Q75 HydrophobicContact CD2-CG 4.44Å; L71-P121 CarbonylContact O-C 3.59Å; L71-P121 VanDerWaalsContact O-CA 3.27Å; L71-P121 WeakPolarHBondContact O-CA 3.47Å; L71-P121 WeakPolarHBondContact O-CB 3.29Å; L71-F122 PolarHBondContact O-N 3.13Å; L71-F382 HydrophobicContact CD1-CE1 4.25Å; L71-F382 HydrophobicContact CD1-CE2 3.93Å; L71-F382 HydrophobicContact CD1-CZ 3.64Å; L71-F382 HydrophobicContact CG-CE2 4.03Å; L71-F382 HydrophobicContact CG-CZ 3.82Å; L71-T386 HydrophobicContact CD1-CG2 3.5Å; L71-L389 HydrophobicContact CD2-CB 4.22Å; L71-N390 HydrophobicContact CD2-CB 3.8Å
72	S	97.7	Very high	93.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	153.6	163.4	179.6	0	0	0	0	109.7	L74 Q75 R76 E128	S72-L74 PolarHBondContact O-N 3.3Å; S72-L74 PolarHBondContact OG-N 3.03Å; S72-Q75 WeakPolarHBondContact O-CB 3.47Å; S72-Q75 PolarHBondContact O-N 3.01Å; S72-R76 PolarHBondContact O-N 3.05Å; S72-E128 VanDerWaalsContact CB-OE1 3.27Å; S72-E128 WeakPolarHBondContact CB-OE1 3.37Å; S72-E128 PolarHBondContact OG-OE1 3Å
73	F	96.5	Very high	94.4	Very high	30 Å²	30	13.7 Å²	13.7	13%	0.132	7%	0.067	C	C	.	.	H	α-helix	trans	-59.6	-29.1	171.1	-174.2	-105.7	0	0	0	112	Q75 R76 I77 P121 F122 P124 T151 F168	F73-Q75 VanDerWaalsContact C-N 3.26Å; F73-Q75 PolarHBondContact O-N 3.07Å; F73-R76 HydrophobicContact CD2-CB 4.1Å; F73-R76 HydrophobicContact CD2-CG 4.23Å; F73-R76 HydrophobicContact CE2-CB 4.32Å; F73-R76 HydrophobicContact CE2-CG 4.07Å; F73-R76 WeakPolarHBondContact O-CB 3.34Å; F73-R76 PolarHBondContact O-N 3.42Å; F73-I77 HydrophobicContact CD1-CG2 4.28Å; F73-I77 HydrophobicContact CE1-CG2 3.43Å; F73-I77 VanDerWaalsContact CE1-CG2 3.43Å; F73-I77 HydrophobicContact CE2-CG2 3.99Å; F73-I77 HydrophobicContact CZ-CG2 3.18Å; F73-I77 PolarHBondContact O-N 3.35Å; F73-I77 VanDerWaalsContact O-N 3.08Å; F73-P121 HydrophobicContact CB-CB 4.35Å; F73-P121 HydrophobicContact CB-CG 4.36Å; F73-P121 HydrophobicContact CD2-CB 4.49Å; F73-P121 HydrophobicContact CD2-CG 3.76Å; F73-F122 PolarHBondContact N-O 3.48Å; F73-P124 HydrophobicContact CB-CG 3.64Å; F73-T151 WeakPolarHBondContact CD1-OG1 3.27Å; F73-F168 HydrophobicContact CE1-CD2 4.02Å; F73-F168 AromaticContact CE1-CE2 3.57Å; F73-F168 HydrophobicContact CE1-CE2 3.57Å; F73-F168 HydrophobicContact CE2-CD2 4.23Å; F73-F168 AromaticContact CE2-CE2 3.62Å; F73-F168 HydrophobicContact CE2-CE2 3.62Å; F73-F168 AromaticContact CE2-CZ 3.99Å; F73-F168 HydrophobicContact CE2-CZ 3.99Å; F73-F168 AromaticContact CZ-CD2 3.74Å; F73-F168 HydrophobicContact CZ-CD2 3.74Å; F73-F168 AromaticContact CZ-CE2 2.97Å; F73-F168 HydrophobicContact CZ-CE2 2.97Å; F73-F168 AromaticContact CZ-CZ 3.62Å; F73-F168 HydrophobicContact CZ-CZ 3.62Å
74	L	98.1	Very high	95.3	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-62.9	-34.2	174.3	-53.1	-171.5	0	0	0	112.3	S72 I77 P124 E128 T129 Y130 A141 Q143 T151	S72-L74 PolarHBondContact O-N 3.3Å; S72-L74 PolarHBondContact OG-N 3.03Å; L74-I77 WeakPolarHBondContact O-CG1 3.06Å; L74-P124 HydrophobicContact CD1-CB 4.33Å; L74-P124 HydrophobicContact CD2-CB 4.12Å; L74-P124 HydrophobicContact CD2-CG 3.81Å; L74-P124 HydrophobicContact CG-CB 3.94Å; L74-P124 HydrophobicContact CG-CG 3.75Å; L74-E128 HydrophobicContact CD1-CB 4.09Å; L74-E128 HydrophobicContact CD1-CG 3.83Å; L74-E128 VanDerWaalsContact CD1-O 3.29Å; L74-E128 WeakPolarHBondContact CD1-O 3.5Å; L74-T129 VanDerWaalsContact CD1-C 3.48Å; L74-Y130 HydrophobicContact CB-CG 4.47Å; L74-A141 HydrophobicContact CB-CB 4.28Å; L74-A141 HydrophobicContact CD2-CB 4.3Å; L74-Q143 HydrophobicContact CD2-CB 4.45Å; L74-T151 HydrophobicContact CD2-CG2 3.25Å
75	Q	98.2	Very high	95.9	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-74.7	-40.5	173.7	-70.9	164.7	-40.2	0	0	110.9	L71 S72 F73 I77 A78 Y130 L389 N390	L71-Q75 HydrophobicContact CB-CB 4.19Å; L71-Q75 HydrophobicContact CD2-CB 3.97Å; L71-Q75 HydrophobicContact CD2-CG 4.44Å; S72-Q75 WeakPolarHBondContact O-CB 3.47Å; S72-Q75 PolarHBondContact O-N 3.01Å; F73-Q75 VanDerWaalsContact C-N 3.26Å; F73-Q75 PolarHBondContact O-N 3.07Å; Q75-I77 VanDerWaalsContact C-N 3.27Å; Q75-I77 PolarHBondContact O-N 3.49Å; Q75-A78 WeakPolarHBondContact O-CB 3.5Å; Q75-A78 PolarHBondContact O-N 3.07Å; Q75-Y130 HydrophobicContact CG-CD1 4.13Å; Q75-Y130 HydrophobicContact CG-CD2 3.48Å; Q75-Y130 VanDerWaalsContact CG-CD2 3.48Å; Q75-Y130 HydrophobicContact CG-CE1 4.11Å; Q75-Y130 HydrophobicContact CG-CE2 3.41Å; Q75-Y130 VanDerWaalsContact CG-CE2 3.41Å; Q75-Y130 HydrophobicContact CG-CG 3.84Å; Q75-L389 HydrophobicContact CB-CB 4.46Å; Q75-L389 WeakPolarHBondContact O-CD1 3.48Å; Q75-N390 PolarHBondContact NE2-OD1 3.33Å
76	R	96.3	Very high	96.3	Very high	26 Å²	26	11.4 Å²	11.4	10%	0.098	5%	0.053	C	C	.	.	H	α-helix	trans	-55.7	-40.7	176.4	176.9	66.8	81.6	116.1	3.3	112.3	E69 S72 F73 A78 E79 N114 R117 G119 P121	E69-R76 IonicContact OE1-CZ 3.75Å; E69-R76 IonicContact OE1-NE 3.82Å; E69-R76 PolarHBondContact OE1-NE 2.85Å; E69-R76 IonicContact OE1-NH2 3.76Å; E69-R76 PolarHBondContact OE1-NH2 2.94Å; E69-R76 IonicContact OE2-CZ 3.19Å; E69-R76 IonicContact OE2-NH2 2.67Å; E69-R76 PolarHBondContact OE2-NH2 2.88Å; S72-R76 PolarHBondContact O-N 3.05Å; F73-R76 HydrophobicContact CD2-CB 4.1Å; F73-R76 HydrophobicContact CD2-CG 4.23Å; F73-R76 HydrophobicContact CE2-CB 4.32Å; F73-R76 HydrophobicContact CE2-CG 4.07Å; F73-R76 WeakPolarHBondContact O-CB 3.34Å; F73-R76 PolarHBondContact O-N 3.42Å; R76-A78 VanDerWaalsContact C-N 3.34Å; R76-E79 WeakPolarHBondContact CD-OE1 3.43Å; R76-E79 IonicContact NE-OE1 3.43Å; R76-E79 VanDerWaalsContact O-CB 3.28Å; R76-E79 WeakPolarHBondContact O-CB 3.4Å; R76-E79 WeakPolarHBondContact O-CG 3.47Å; R76-E79 PolarHBondContact O-N 2.88Å; R76-N114 PolarHBondContact NH1-OD1 3.07Å; R76-R117 VanDerWaalsContact NE-CZ 3.26Å; R76-G119 PolarHBondContact NH2-O 3.32Å; R76-P121 HydrophobicContact CB-CB 4.25Å; R76-P121 HydrophobicContact CB-CG 4.3Å; R76-P121 HydrophobicContact CG-CG 4.37Å
77	I	96.2	Very high	96.8	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.005	4%	0.044	C	C	.	.	H	α-helix	trans	-74.3	-22.8	177.9	57	163.6	0	0	0	113.5	F73 L74 Q75 E79 Y80 F139 A141 T151 F153 I166	F73-I77 HydrophobicContact CD1-CG2 4.28Å; F73-I77 HydrophobicContact CE1-CG2 3.43Å; F73-I77 VanDerWaalsContact CE1-CG2 3.43Å; F73-I77 HydrophobicContact CE2-CG2 3.99Å; F73-I77 HydrophobicContact CZ-CG2 3.18Å; F73-I77 PolarHBondContact O-N 3.35Å; F73-I77 VanDerWaalsContact O-N 3.08Å; L74-I77 WeakPolarHBondContact O-CG1 3.06Å; Q75-I77 VanDerWaalsContact C-N 3.27Å; Q75-I77 PolarHBondContact O-N 3.49Å; I77-E79 PolarHBondContact O-N 3Å; I77-Y80 WeakPolarHBondContact O-CB 3.46Å; I77-Y80 PolarHBondContact O-N 3.49Å; I77-Y80 VanDerWaalsContact O-N 3.1Å; I77-F139 HydrophobicContact CD1-CZ 4.05Å; I77-F139 HydrophobicContact CG1-CZ 4.07Å; I77-A141 HydrophobicContact CD1-CB 3.85Å; I77-T151 HydrophobicContact CD1-CG2 3.38Å; I77-F153 HydrophobicContact CD1-CB 3.86Å; I77-F153 HydrophobicContact CD1-CD1 3.73Å; I77-F153 HydrophobicContact CD1-CG 4.15Å; I77-I166 HydrophobicContact CG2-CD1 3.91Å
78	A	97.5	Very high	97.2	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-68.4	-15.2	174	0	0	0	0	0	112.4	Q75 R76 Y80 M81 Y130 L132 F139 Y385 L389	Q75-A78 WeakPolarHBondContact O-CB 3.5Å; Q75-A78 PolarHBondContact O-N 3.07Å; R76-A78 VanDerWaalsContact C-N 3.34Å; A78-Y80 PolarHBondContact O-N 3.15Å; A78-M81 PolarHBondContact O-N 3.49Å; A78-Y130 HydrophobicContact CB-CD1 4.06Å; A78-Y130 HydrophobicContact CB-CE1 3.51Å; A78-L132 HydrophobicContact CB-CD2 4.37Å; A78-F139 HydrophobicContact CB-CD1 4.21Å; A78-F139 HydrophobicContact CB-CD2 4.32Å; A78-F139 HydrophobicContact CB-CE1 3.91Å; A78-F139 HydrophobicContact CB-CE2 4.02Å; A78-F139 HydrophobicContact CB-CG 4.46Å; A78-F139 HydrophobicContact CB-CZ 3.81Å; A78-Y385 PolarHBondContact O-OH 3.18Å; A78-Y385 VanDerWaalsContact O-OH 3.08Å; A78-L389 HydrophobicContact CB-CD2 4.44Å
79	E	97.6	Very high	97.4	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.009	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-66.5	-16.8	170.6	-59	-178.7	-124.2	0	0	112.9	R76 I77 M81 E82 S113 R117 T386 L389	R76-E79 WeakPolarHBondContact CD-OE1 3.43Å; R76-E79 IonicContact NE-OE1 3.43Å; R76-E79 VanDerWaalsContact O-CB 3.28Å; R76-E79 WeakPolarHBondContact O-CB 3.4Å; R76-E79 WeakPolarHBondContact O-CG 3.47Å; R76-E79 PolarHBondContact O-N 2.88Å; I77-E79 PolarHBondContact O-N 3Å; E79-M81 PolarHBondContact O-N 3.03Å; E79-E82 WeakPolarHBondContact O-CB 3.37Å; E79-E82 PolarHBondContact O-N 2.84Å; E79-S113 WeakPolarHBondContact OE2-CB 3.35Å; E79-S113 PolarHBondContact OE2-OG 3.29Å; E79-R117 IonicContact OE1-CZ 2.79Å; E79-R117 IonicContact OE1-NH1 3.94Å; E79-R117 PolarHBondContact OE1-NH1 3.22Å; E79-R117 IonicContact OE1-NH2 2.85Å; E79-R117 PolarHBondContact OE1-NH2 3.27Å; E79-R117 IonicContact OE2-CZ 3.38Å; E79-R117 IonicContact OE2-NH1 2.57Å; E79-R117 PolarHBondContact OE2-NH1 3.26Å; E79-T386 PolarHBondContact OE2-OG1 2.67Å; E79-L389 HydrophobicContact CG-CD1 3.56Å
80	Y	97.8	Very high	97.6	Very high	23 Å²	23	15.6 Å²	15.6	9%	0.09	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-58.4	-23.4	171.2	-73.8	9.9	0	0	0	112.3	I77 A78 F106 S110 F153 I166 N200	I77-Y80 WeakPolarHBondContact O-CB 3.46Å; I77-Y80 PolarHBondContact O-N 3.49Å; I77-Y80 VanDerWaalsContact O-N 3.1Å; A78-Y80 PolarHBondContact O-N 3.15Å; Y80-F106 VanDerWaalsContact O-CE2 3.28Å; Y80-F106 WeakPolarHBondContact O-CE2 3.21Å; Y80-F106 WeakPolarHBondContact O-CZ 3.07Å; Y80-S110 WeakPolarHBondContact CD1-O 3.4Å; Y80-F153 HydrophobicContact CD2-CE1 4.06Å; Y80-F153 HydrophobicContact CD2-CZ 4.04Å; Y80-F153 HydrophobicContact CE2-CE1 4.34Å; Y80-I166 HydrophobicContact CE2-CD1 3.85Å; Y80-N200 WeakPolarHBondContact CE2-ND2 3.33Å; Y80-N200 PolarHBondContact OH-ND2 3.29Å
81	M	97.9	Very high	97.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-94.9	6.4	-178.8	-56.6	-54.9	-56.4	0	0	114	A78 E79 Y83 S84 L87 F106 F137 F139 V155 Y160 L162	A78-M81 PolarHBondContact O-N 3.49Å; E79-M81 PolarHBondContact O-N 3.03Å; M81-Y83 PolarHBondContact O-N 3.44Å; M81-S84 WeakPolarHBondContact O-CB 3.24Å; M81-S84 PolarHBondContact O-N 2.96Å; M81-S84 VanDerWaalsContact O-N 3.15Å; M81-L87 HydrophobicContact CE-CD1 4.21Å; M81-F106 HydrophobicContact CE-CE2 4.45Å; M81-F106 HydrophobicContact CE-CZ 4.35Å; M81-F106 HydrophobicContact SD-CE2 4.32Å; M81-F106 HydrophobicContact SD-CZ 3.83Å; M81-F137 HydrophobicContact CB-CE1 4.06Å; M81-F137 HydrophobicContact CB-CE2 3.91Å; M81-F137 HydrophobicContact CB-CZ 3.44Å; M81-F137 VanDerWaalsContact CB-CZ 3.44Å; M81-F137 HydrophobicContact CE-CD1 4.26Å; M81-F137 HydrophobicContact CE-CD2 4.49Å; M81-F137 HydrophobicContact CE-CE1 4.25Å; M81-F137 HydrophobicContact CE-CG 4.38Å; M81-F137 HydrophobicContact CE-CZ 4.4Å; M81-F137 HydrophobicContact CG-CE2 4.07Å; M81-F137 HydrophobicContact CG-CZ 4.1Å; M81-F139 HydrophobicContact CG-CD2 4.18Å; M81-V155 HydrophobicContact CE-CG1 3.84Å; M81-V155 HydrophobicContact CE-CG2 4.45Å; M81-V155 HydrophobicContact CG-CG2 4.02Å; M81-V155 HydrophobicContact SD-CG1 4.33Å; M81-V155 HydrophobicContact SD-CG2 3.86Å; M81-Y160 HydrophobicContact CE-CE2 4.27Å; M81-L162 HydrophobicContact SD-CD2 3.48Å; M81-L162 WeakPolarHBondContact SD-CD2 3.47Å
82	E	97.2	Very high	97.6	Very high	14 Å²	14	19.5 Å²	19.5	7%	0.065	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-40.3	-179.4	178.1	168.2	-158.1	0	0	112.3	E79 T383 Y385	E79-E82 WeakPolarHBondContact O-CB 3.37Å; E79-E82 PolarHBondContact O-N 2.84Å; E82-T383 WeakPolarHBondContact OE1-CB 3.46Å; E82-T383 PolarHBondContact OE1-OG1 3.04Å; E82-Y385 HydrophobicContact CB-CD1 3.83Å; E82-Y385 HydrophobicContact CB-CE1 4.16Å; E82-Y385 HydrophobicContact CB-CG 4Å; E82-Y385 HydrophobicContact CG-CD1 4.13Å; E82-Y385 HydrophobicContact CG-CD2 4.43Å; E82-Y385 HydrophobicContact CG-CG 3.86Å; E82-Y385 WeakPolarHBondContact OE1-CB 3.36Å
83	Y	97.9	Very high	97.6	Very high	5 Å²	5	21.9 Å²	21.9	2%	0.02	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	40.6	179.6	-56.8	-83.9	0	0	0	112.2	M81 E85 L86 S112 W367 A369 T370	M81-Y83 PolarHBondContact O-N 3.44Å; Y83-E85 WeakPolarHBondContact CA-OE1 3.3Å; Y83-E85 WeakPolarHBondContact CD1-OE1 3.45Å; Y83-E85 PolarHBondContact O-N 3.37Å; Y83-E85 VanDerWaalsContact O-N 3.07Å; Y83-L86 WeakPolarHBondContact O-CB 3.38Å; Y83-L86 PolarHBondContact O-N 3.02Å; Y83-S112 WeakPolarHBondContact CE2-OG 3.48Å; Y83-W367 AromaticContact CD1-CD1 3.69Å; Y83-W367 AromaticContact CD1-NE1 3.1Å; Y83-W367 HydrophobicContact CD2-CZ2 4.35Å; Y83-W367 AromaticContact CD2-NE1 3.63Å; Y83-W367 HydrophobicContact CE1-CZ2 4.46Å; Y83-W367 AromaticContact CE1-NE1 3.2Å; Y83-W367 AromaticContact CE2-CZ2 3.91Å; Y83-W367 HydrophobicContact CE2-CZ2 3.91Å; Y83-W367 AromaticContact CE2-NE1 3.76Å; Y83-W367 AromaticContact CG-CD1 3.95Å; Y83-W367 AromaticContact CG-NE1 3.31Å; Y83-W367 VanDerWaalsContact CG-NE1 3.31Å; Y83-W367 AromaticContact CZ-CZ2 3.97Å; Y83-W367 AromaticContact CZ-NE1 3.56Å; Y83-A369 WeakPolarHBondContact OH-CA 3.47Å; Y83-T370 PolarHBondContact OH-N 3.31Å
84	S	97.4	Very high	97.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-25	-180	69.1	0	0	0	0	113.4	M81 L86 L87 D88 F137	M81-S84 WeakPolarHBondContact O-CB 3.24Å; M81-S84 PolarHBondContact O-N 2.96Å; M81-S84 VanDerWaalsContact O-N 3.15Å; S84-L86 PolarHBondContact O-N 2.91Å; S84-L86 VanDerWaalsContact O-N 3.07Å; S84-L87 WeakPolarHBondContact O-CA 3.3Å; S84-L87 WeakPolarHBondContact O-CB 3.42Å; S84-L87 PolarHBondContact O-N 3.18Å; S84-D88 PolarHBondContact O-N 3.18Å; S84-F137 WeakPolarHBondContact OG-CE1 3.2Å
85	E	97.3	Very high	97.5	Very high	55 Å²	55	31.2 Å²	31.2	26%	0.257	16%	0.161	S	C	.	.	H	α-helix	trans	-59.5	-19.3	176.1	65.1	-81.4	176.9	0	0	114	Y83 L87 D88 K89 K135	Y83-E85 WeakPolarHBondContact CA-OE1 3.3Å; Y83-E85 WeakPolarHBondContact CD1-OE1 3.45Å; Y83-E85 PolarHBondContact O-N 3.37Å; Y83-E85 VanDerWaalsContact O-N 3.07Å; E85-L87 VanDerWaalsContact C-N 3.31Å; E85-D88 WeakPolarHBondContact CA-OD2 3.35Å; E85-D88 PolarHBondContact O-N 3.15Å; E85-K89 VanDerWaalsContact O-CG 3.3Å; E85-K89 WeakPolarHBondContact O-CG 3.29Å; E85-K89 PolarHBondContact O-N 2.84Å; E85-K135 IonicContact OE2-NZ 3.67Å; E85-K135 PolarHBondContact OE2-NZ 3.49Å; E85-K135 VanDerWaalsContact OE2-NZ 3.07Å
86	L	98.6	Very high	97.4	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	16%	0.164	C	C	.	.	H	α-helix	trans	-66.6	-35.5	171.5	-67.2	171.1	0	0	0	111.4	Y83 S84 A90 L102 A105 F106 L366 W367	Y83-L86 WeakPolarHBondContact O-CB 3.38Å; Y83-L86 PolarHBondContact O-N 3.02Å; S84-L86 PolarHBondContact O-N 2.91Å; S84-L86 VanDerWaalsContact O-N 3.07Å; L86-A90 WeakPolarHBondContact O-CB 3.45Å; L86-A90 PolarHBondContact O-N 3.43Å; L86-L102 HydrophobicContact CD2-CD2 4.33Å; L86-A105 HydrophobicContact CD1-CB 4.24Å; L86-A105 HydrophobicContact CD2-CB 4.49Å; L86-F106 HydrophobicContact CB-CB 4Å; L86-F106 HydrophobicContact CB-CD2 4.47Å; L86-F106 HydrophobicContact CD1-CB 4.25Å; L86-L366 WeakPolarHBondContact CD2-O 3.37Å; L86-W367 HydrophobicContact CD1-CB 4.13Å; L86-W367 HydrophobicContact CD1-CG 4.08Å; L86-W367 HydrophobicContact CD2-CB 4.26Å
87	L	98.5	Very high	97.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-70.9	-38.9	173.9	-59.7	-176.8	0	0	0	111.1	M81 S84 E85 K89 A90 V91 F106 Y160 L187	M81-L87 HydrophobicContact CE-CD1 4.21Å; S84-L87 WeakPolarHBondContact O-CA 3.3Å; S84-L87 WeakPolarHBondContact O-CB 3.42Å; S84-L87 PolarHBondContact O-N 3.18Å; E85-L87 VanDerWaalsContact C-N 3.31Å; L87-K89 VanDerWaalsContact C-N 3.32Å; L87-K89 PolarHBondContact O-N 3.41Å; L87-A90 WeakPolarHBondContact O-CB 3.39Å; L87-A90 PolarHBondContact O-N 3Å; L87-A90 VanDerWaalsContact O-N 3.09Å; L87-V91 WeakPolarHBondContact O-CG2 3.44Å; L87-V91 PolarHBondContact O-N 2.6Å; L87-F106 HydrophobicContact CD1-CD1 4.35Å; L87-F106 HydrophobicContact CD1-CD2 4.2Å; L87-F106 HydrophobicContact CD1-CE1 4.03Å; L87-F106 HydrophobicContact CD1-CE2 3.87Å; L87-F106 HydrophobicContact CD1-CG 4.43Å; L87-F106 HydrophobicContact CD1-CZ 3.79Å; L87-F106 HydrophobicContact CD2-CB 3.99Å; L87-F106 HydrophobicContact CD2-CD1 3.69Å; L87-F106 HydrophobicContact CD2-CD2 4.04Å; L87-F106 HydrophobicContact CD2-CE1 4.19Å; L87-F106 HydrophobicContact CD2-CG 3.61Å; L87-F106 HydrophobicContact CG-CD1 4.19Å; L87-F106 HydrophobicContact CG-CD2 3.77Å; L87-F106 HydrophobicContact CG-CE1 4.36Å; L87-F106 HydrophobicContact CG-CE2 3.96Å; L87-F106 HydrophobicContact CG-CG 3.89Å; L87-F106 HydrophobicContact CG-CZ 4.26Å; L87-Y160 HydrophobicContact CB-CD1 4.03Å; L87-Y160 HydrophobicContact CB-CE1 3.8Å; L87-Y160 HydrophobicContact CD1-CD2 3.97Å; L87-Y160 HydrophobicContact CD1-CE1 4.37Å; L87-Y160 HydrophobicContact CD1-CE2 3.7Å; L87-Y160 HydrophobicContact CD1-CG 4.46Å; L87-L187 HydrophobicContact CD1-CD1 4.07Å; L87-L187 HydrophobicContact CD2-CD1 4.12Å; L87-L187 HydrophobicContact CD2-CD2 3.73Å
88	D	97.4	Very high	97.6	Very high	47 Å²	47	34.9 Å²	34.9	25%	0.251	18%	0.179	S	C	.	.	H	α-helix	trans	-60.5	-43.5	174.7	-62.2	-36.2	0	0	0	111.5	S84 E85 A90 V91 G92 N136	S84-D88 PolarHBondContact O-N 3.18Å; E85-D88 WeakPolarHBondContact CA-OD2 3.35Å; E85-D88 PolarHBondContact O-N 3.15Å; D88-A90 VanDerWaalsContact C-N 3.33Å; D88-A90 PolarHBondContact O-N 3.42Å; D88-V91 PolarHBondContact O-N 2.97Å; D88-G92 PolarHBondContact O-N 3.13Å; D88-N136 PolarHBondContact OD1-ND2 3.38Å; D88-N136 PolarHBondContact OD2-ND2 3Å
89	K	98.3	Very high	97.6	Very high	121 Å²	121	35.2 Å²	35.2	53%	0.526	18%	0.18	S	C	.	.	H	α-helix	trans	-61.5	-41.1	172.6	-71	171.4	-174.5	175.9	0	111.5	E85 L87 G92 E93 L102	E85-K89 VanDerWaalsContact O-CG 3.3Å; E85-K89 WeakPolarHBondContact O-CG 3.29Å; E85-K89 PolarHBondContact O-N 2.84Å; L87-K89 VanDerWaalsContact C-N 3.32Å; L87-K89 PolarHBondContact O-N 3.41Å; K89-G92 PolarHBondContact O-N 2.91Å; K89-E93 WeakPolarHBondContact O-CB 3.38Å; K89-E93 PolarHBondContact O-N 3.19Å; K89-E93 VanDerWaalsContact O-N 3.13Å; K89-L102 HydrophobicContact CB-CD1 3.92Å; K89-L102 HydrophobicContact CB-CD2 4.09Å; K89-L102 HydrophobicContact CD-CD2 4.38Å
90	A	98.5	Very high	97.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.9	-37.6	178.8	0	0	0	0	0	112.2	L86 L87 D88 G92 E93 R99 L102 V103 L189	L86-A90 WeakPolarHBondContact O-CB 3.45Å; L86-A90 PolarHBondContact O-N 3.43Å; L87-A90 WeakPolarHBondContact O-CB 3.39Å; L87-A90 PolarHBondContact O-N 3Å; L87-A90 VanDerWaalsContact O-N 3.09Å; D88-A90 VanDerWaalsContact C-N 3.33Å; D88-A90 PolarHBondContact O-N 3.42Å; A90-G92 VanDerWaalsContact C-N 3.27Å; A90-G92 PolarHBondContact O-N 3.14Å; A90-E93 PolarHBondContact O-N 3.36Å; A90-R99 WeakPolarHBondContact O-CD 3.08Å; A90-R99 VanDerWaalsContact O-CG 3.3Å; A90-R99 WeakPolarHBondContact O-CG 3.5Å; A90-L102 HydrophobicContact CB-CB 3.91Å; A90-L102 HydrophobicContact CB-CD1 4.27Å; A90-V103 HydrophobicContact CB-CG2 4.34Å; A90-L189 HydrophobicContact CB-CD1 4.37Å
91	V	97.5	Very high	97.7	Very high	19 Å²	19	34.1 Å²	34.1	12%	0.115	18%	0.175	C	C	.	.	H	α-helix	trans	-61.8	-35.9	173.5	166.2	0	0	0	0	111.6	L87 D88 N159 Y160 L189 F192	L87-V91 WeakPolarHBondContact O-CG2 3.44Å; L87-V91 PolarHBondContact O-N 2.6Å; D88-V91 PolarHBondContact O-N 2.97Å; V91-N159 HydrophobicContact CB-CB 4.32Å; V91-N159 HydrophobicContact CG1-CB 3.62Å; V91-N159 HydrophobicContact CG2-CB 3.8Å; V91-Y160 HydrophobicContact CG2-CD1 4.15Å; V91-L189 HydrophobicContact CG2-CD2 4.04Å; V91-F192 WeakPolarHBondContact O-CE2 3.3Å
92	G	96.9	Very high	97.8	Very high	63 Å²	63	35.1 Å²	35.1	65%	0.649	18%	0.181	S	C	*	.	H	α-helix	trans	-81.7	-13.1	178.7	0	0	0	0	0	115.2	D88 K89 A90	D88-G92 PolarHBondContact O-N 3.13Å; K89-G92 PolarHBondContact O-N 2.91Å; A90-G92 VanDerWaalsContact C-N 3.27Å; A90-G92 PolarHBondContact O-N 3.14Å
93	E	97.9	Very high	97.9	Very high	51 Å²	51	34.5 Å²	34.5	24%	0.238	18%	0.178	C	C	.	.			trans	-90.8	123.7	-172.6	177	55.2	-98.5	0	0	111.6	K89 A90 D95 K98 R99 L102 F192	K89-E93 WeakPolarHBondContact O-CB 3.38Å; K89-E93 PolarHBondContact O-N 3.19Å; K89-E93 VanDerWaalsContact O-N 3.13Å; A90-E93 PolarHBondContact O-N 3.36Å; E93-D95 PolarHBondContact OE1-N 2.95Å; E93-K98 HydrophobicContact CG-CB 3.49Å; E93-K98 VanDerWaalsContact CG-CB 3.49Å; E93-K98 HydrophobicContact CG-CD 4.44Å; E93-K98 VanDerWaalsContact OE2-CD 3.3Å; E93-K98 WeakPolarHBondContact OE2-CD 3.39Å; E93-R99 HydrophobicContact CB-CG 3.87Å; E93-R99 HydrophobicContact CG-CG 3.99Å; E93-R99 VanDerWaalsContact O-CD 3.25Å; E93-R99 WeakPolarHBondContact O-CD 3.13Å; E93-R99 WeakPolarHBondContact O-CG 3.44Å; E93-R99 PolarHBondContact O-NH1 2.88Å; E93-L102 HydrophobicContact CB-CD1 4.16Å; E93-L102 HydrophobicContact CG-CD1 4.47Å; E93-F192 WeakPolarHBondContact O-CZ 3.31Å
94	K	96.7	Very high	97.9	Very high	179 Å²	179	34.2 Å²	34.2	78%	0.778	18%	0.177	S	C	*	.			trans	-82.4	-29.8	-176.3	-66.9	-177.5	-178.4	177.5	0	112.8	P96 R99	K94-P96 WeakPolarHBondContact O-CD 3.37Å; K94-R99 PolarHBondContact O-NH1 2.82Å
95	D	96.3	Very high	98	Very high	47 Å²	47	34.2 Å²	34.2	25%	0.251	18%	0.177	S	C	.	.			trans	-76.6	117.3	178.5	-179.5	-1.1	0	0	0	110.9	E93 I97 K98 R99	E93-D95 PolarHBondContact OE1-N 2.95Å; D95-I97 PolarHBondContact O-N 2.88Å; D95-I97 WeakPolarHBondContact OD1-CB 3.35Å; D95-I97 PolarHBondContact OD1-N 3.41Å; D95-K98 HydrophobicContact CB-CB 4.16Å; D95-K98 HydrophobicContact CB-CD 4.13Å; D95-K98 HydrophobicContact CB-CG 4.17Å; D95-K98 PolarHBondContact O-N 3.02Å; D95-R99 PolarHBondContact O-N 2.85Å
96	P	97	Very high	98	Very high	12 Å²	12	31.7 Å²	31.7	8%	0.078	17%	0.165	C	C	.	.	H	α-helix	trans	-58.9	-28.9	177.7	24.9	-35.2	0	0	0	113.8	K94 M100 L228 L230 L259 Q263	K94-P96 WeakPolarHBondContact O-CD 3.37Å; P96-M100 WeakPolarHBondContact O-CB 3.38Å; P96-M100 PolarHBondContact O-N 2.9Å; P96-L228 HydrophobicContact CB-CD1 3.49Å; P96-L228 VanDerWaalsContact CB-CD1 3.49Å; P96-L228 HydrophobicContact CG-CD1 4.32Å; P96-L230 HydrophobicContact CB-CD1 4.47Å; P96-L230 HydrophobicContact CB-CD2 4.39Å; P96-L259 HydrophobicContact CG-CD2 4.27Å; P96-Q263 VanDerWaalsContact CG-NE2 3.33Å
97	I	97.8	Very high	98	Very high	11 Å²	11	31.5 Å²	31.5	6%	0.056	16%	0.164	C	C	.	.	H	α-helix	trans	-66.6	-51.6	176.8	-55.4	-54.2	0	0	0	109.5	D95 R99 M100 E101 L230 L253 A255 K298 R299	D95-I97 PolarHBondContact O-N 2.88Å; D95-I97 WeakPolarHBondContact OD1-CB 3.35Å; D95-I97 PolarHBondContact OD1-N 3.41Å; I97-R99 VanDerWaalsContact C-N 3.34Å; I97-R99 PolarHBondContact O-N 3Å; I97-M100 WeakPolarHBondContact O-CB 3.08Å; I97-M100 PolarHBondContact O-N 2.99Å; I97-M100 VanDerWaalsContact O-N 3.13Å; I97-E101 WeakPolarHBondContact O-CG 3.43Å; I97-E101 PolarHBondContact O-N 2.88Å; I97-L230 HydrophobicContact CD1-CD2 3.65Å; I97-L253 HydrophobicContact CD1-CD2 4.24Å; I97-L253 HydrophobicContact CG2-CD1 4.39Å; I97-L253 HydrophobicContact CG2-CD2 4.09Å; I97-A255 HydrophobicContact CD1-CB 3.8Å; I97-K298 HydrophobicContact CD1-CB 4.34Å; I97-K298 HydrophobicContact CD1-CG 3.88Å; I97-K298 HydrophobicContact CG2-CB 4.17Å; I97-R299 HydrophobicContact CG2-CG 3.82Å
98	K	98.1	Very high	98	Very high	80 Å²	80	31.5 Å²	31.5	35%	0.348	16%	0.164	S	C	.	.	H	α-helix	trans	-65.4	-35.9	178.3	-67.8	179.8	-174.6	176.1	0	112.6	E93 D95 M100 E101 L102	E93-K98 HydrophobicContact CG-CB 3.49Å; E93-K98 VanDerWaalsContact CG-CB 3.49Å; E93-K98 HydrophobicContact CG-CD 4.44Å; E93-K98 VanDerWaalsContact OE2-CD 3.3Å; E93-K98 WeakPolarHBondContact OE2-CD 3.39Å; D95-K98 HydrophobicContact CB-CB 4.16Å; D95-K98 HydrophobicContact CB-CD 4.13Å; D95-K98 HydrophobicContact CB-CG 4.17Å; D95-K98 PolarHBondContact O-N 3.02Å; K98-M100 VanDerWaalsContact C-N 3.32Å; K98-M100 PolarHBondContact O-N 2.83Å; K98-E101 WeakPolarHBondContact O-CB 3.45Å; K98-E101 PolarHBondContact O-N 3.07Å; K98-L102 WeakPolarHBondContact O-CG 3.35Å; K98-L102 PolarHBondContact O-N 3.45Å
99	R	98.3	Very high	98.1	Very high	8 Å²	8	29.3 Å²	29.3	3%	0.03	15%	0.152	C	C	.	.	H	α-helix	trans	-57	-48.3	169.8	-79.1	-157.2	-63.7	-74	-1.8	111.3	A90 E93 K94 D95 I97 E101 L102 V103 F192 E194	A90-R99 WeakPolarHBondContact O-CD 3.08Å; A90-R99 VanDerWaalsContact O-CG 3.3Å; A90-R99 WeakPolarHBondContact O-CG 3.5Å; E93-R99 HydrophobicContact CB-CG 3.87Å; E93-R99 HydrophobicContact CG-CG 3.99Å; E93-R99 VanDerWaalsContact O-CD 3.25Å; E93-R99 WeakPolarHBondContact O-CD 3.13Å; E93-R99 WeakPolarHBondContact O-CG 3.44Å; E93-R99 PolarHBondContact O-NH1 2.88Å; K94-R99 PolarHBondContact O-NH1 2.82Å; D95-R99 PolarHBondContact O-N 2.85Å; I97-R99 VanDerWaalsContact C-N 3.34Å; I97-R99 PolarHBondContact O-N 3Å; R99-E101 VanDerWaalsContact C-N 3.31Å; R99-E101 PolarHBondContact O-N 3.41Å; R99-L102 PolarHBondContact O-N 2.9Å; R99-L102 VanDerWaalsContact O-N 3.15Å; R99-V103 WeakPolarHBondContact O-CG2 3.23Å; R99-V103 PolarHBondContact O-N 2.92Å; R99-F192 VanDerWaalsContact CD-CE2 3.42Å; R99-F192 VanDerWaalsContact NH1-CE1 3.28Å; R99-E194 IonicContact CZ-OE1 3.78Å; R99-E194 IonicContact CZ-OE2 3.02Å; R99-E194 IonicContact NE-OE1 2.85Å; R99-E194 PolarHBondContact NE-OE1 3.09Å; R99-E194 IonicContact NE-OE2 3.75Å; R99-E194 PolarHBondContact NE-OE2 2.96Å; R99-E194 IonicContact NH2-OE1 3.37Å; R99-E194 PolarHBondContact NH2-OE1 3.22Å; R99-E194 IonicContact NH2-OE2 3.39Å
100	M	98.6	Very high	98.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63	-37.6	179.3	-174.5	67.4	177.7	0	0	111.8	P96 I97 K98 L102 V103 S104 Y196 I223 N225 L230 C232 L253	P96-M100 WeakPolarHBondContact O-CB 3.38Å; P96-M100 PolarHBondContact O-N 2.9Å; I97-M100 WeakPolarHBondContact O-CB 3.08Å; I97-M100 PolarHBondContact O-N 2.99Å; I97-M100 VanDerWaalsContact O-N 3.13Å; K98-M100 VanDerWaalsContact C-N 3.32Å; K98-M100 PolarHBondContact O-N 2.83Å; M100-L102 PolarHBondContact O-N 2.78Å; M100-V103 PolarHBondContact O-N 3.03Å; M100-S104 WeakPolarHBondContact O-CB 3.25Å; M100-S104 PolarHBondContact O-N 2.88Å; M100-S104 PolarHBondContact O-OG 2.96Å; M100-Y196 HydrophobicContact SD-CD1 3.8Å; M100-Y196 HydrophobicContact SD-CE1 3.59Å; M100-Y196 VanDerWaalsContact SD-CE1 3.59Å; M100-I223 HydrophobicContact CE-CB 3.69Å; M100-I223 HydrophobicContact CE-CG2 3.63Å; M100-I223 WeakPolarHBondContact CE-O 3.37Å; M100-I223 HydrophobicContact SD-CG2 4.23Å; M100-N225 HydrophobicContact SD-CB 4.38Å; M100-L230 HydrophobicContact CB-CD2 4.04Å; M100-L230 HydrophobicContact CG-CB 4.42Å; M100-L230 HydrophobicContact CG-CD2 4.42Å; M100-C232 HydrophobicContact CE-CB 3.6Å; M100-C232 HydrophobicContact CG-CB 4.44Å; M100-L253 HydrophobicContact CB-CD1 3.89Å; M100-L253 HydrophobicContact CB-CG 4.5Å; M100-L253 HydrophobicContact CG-CD1 3.75Å; M100-L253 HydrophobicContact CG-CD2 4.47Å; M100-L253 HydrophobicContact CG-CG 3.98Å
101	E	98.7	Very high	98	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-59.8	-43.6	171.6	-65.3	178.2	136	0	0	112.7	I97 K98 R99 S104 A105 L253 R299 I301 T311 R364 L366	I97-E101 WeakPolarHBondContact O-CG 3.43Å; I97-E101 PolarHBondContact O-N 2.88Å; K98-E101 WeakPolarHBondContact O-CB 3.45Å; K98-E101 PolarHBondContact O-N 3.07Å; R99-E101 VanDerWaalsContact C-N 3.31Å; R99-E101 PolarHBondContact O-N 3.41Å; E101-S104 WeakPolarHBondContact O-CB 3.49Å; E101-S104 PolarHBondContact O-N 2.55Å; E101-A105 WeakPolarHBondContact O-CB 3.29Å; E101-A105 PolarHBondContact O-N 2.92Å; E101-L253 HydrophobicContact CG-CD1 3.71Å; E101-R299 WeakPolarHBondContact OE1-CG 3.29Å; E101-R299 IonicContact OE1-CZ 2.72Å; E101-R299 IonicContact OE1-NE 3.63Å; E101-R299 PolarHBondContact OE1-NE 2.81Å; E101-R299 IonicContact OE1-NH2 3.14Å; E101-I301 HydrophobicContact CG-CD1 4.41Å; E101-T311 WeakPolarHBondContact OE1-CB 3.26Å; E101-T311 VanDerWaalsContact OE1-CG2 3.29Å; E101-T311 WeakPolarHBondContact OE1-CG2 3.45Å; E101-T311 PolarHBondContact OE1-OG1 3.04Å; E101-R364 IonicContact OE1-CZ 3.99Å; E101-R364 IonicContact OE1-NH2 2.97Å; E101-R364 PolarHBondContact OE1-NH2 2.91Å; E101-R364 IonicContact OE2-CZ 3.33Å; E101-R364 IonicContact OE2-NH1 3.06Å; E101-R364 PolarHBondContact OE2-NH1 2.78Å; E101-R364 IonicContact OE2-NH2 2.69Å; E101-R364 PolarHBondContact OE2-NH2 3.27Å; E101-L366 HydrophobicContact CB-CD1 4.04Å; E101-L366 HydrophobicContact CB-CD2 3.77Å
102	L	98.8	Very high	97.9	Very high	22 Å²	22	23.2 Å²	23.2	12%	0.115	13%	0.125	C	C	.	.	H	α-helix	trans	-67.9	-39.8	178.8	-70.5	164.7	0	0	0	112.1	L86 K89 A90 E93 K98 R99 M100 A105 F106	L86-L102 HydrophobicContact CD2-CD2 4.33Å; K89-L102 HydrophobicContact CB-CD1 3.92Å; K89-L102 HydrophobicContact CB-CD2 4.09Å; K89-L102 HydrophobicContact CD-CD2 4.38Å; A90-L102 HydrophobicContact CB-CB 3.91Å; A90-L102 HydrophobicContact CB-CD1 4.27Å; E93-L102 HydrophobicContact CB-CD1 4.16Å; E93-L102 HydrophobicContact CG-CD1 4.47Å; K98-L102 WeakPolarHBondContact O-CG 3.35Å; K98-L102 PolarHBondContact O-N 3.45Å; R99-L102 PolarHBondContact O-N 2.9Å; R99-L102 VanDerWaalsContact O-N 3.15Å; M100-L102 PolarHBondContact O-N 2.78Å; L102-A105 PolarHBondContact O-N 3.27Å; L102-F106 WeakPolarHBondContact O-CB 3.31Å; L102-F106 PolarHBondContact O-N 3.39Å
103	V	98.9	Very high	97.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.2	-41	173.7	175.6	0	0	0	0	110.8	A90 R99 M100 F106 A107 L187 Y196 W198 I223	A90-V103 HydrophobicContact CB-CG2 4.34Å; R99-V103 WeakPolarHBondContact O-CG2 3.23Å; R99-V103 PolarHBondContact O-N 2.92Å; M100-V103 PolarHBondContact O-N 3.03Å; V103-F106 PolarHBondContact O-N 3.38Å; V103-A107 PolarHBondContact O-N 3.04Å; V103-L187 HydrophobicContact CB-CD2 4.49Å; V103-L187 HydrophobicContact CG1-CD2 3.86Å; V103-L187 HydrophobicContact CG2-CD2 3.8Å; V103-Y196 HydrophobicContact CB-CD1 4.31Å; V103-Y196 HydrophobicContact CB-CE1 4.33Å; V103-Y196 HydrophobicContact CG1-CD1 3.86Å; V103-Y196 HydrophobicContact CG1-CE1 4.38Å; V103-Y196 HydrophobicContact CG1-CG 4.13Å; V103-Y196 HydrophobicContact CG2-CD1 4.25Å; V103-Y196 HydrophobicContact CG2-CE1 4.02Å; V103-Y196 HydrophobicContact CG2-CE2 4.46Å; V103-W198 HydrophobicContact CG1-CZ3 4.22Å; V103-I223 HydrophobicContact CG1-CG2 4Å
104	S	98.8	Very high	97.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.4	-44.1	173.2	-68.8	0	0	0	0	111.7	M100 E101 F106 A107 V108 C232	M100-S104 WeakPolarHBondContact O-CB 3.25Å; M100-S104 PolarHBondContact O-N 2.88Å; M100-S104 PolarHBondContact O-OG 2.96Å; E101-S104 WeakPolarHBondContact O-CB 3.49Å; E101-S104 PolarHBondContact O-N 2.55Å; S104-F106 PolarHBondContact O-N 3.24Å; S104-A107 PolarHBondContact O-N 3.27Å; S104-V108 WeakPolarHBondContact O-CG2 3.49Å; S104-V108 PolarHBondContact O-N 2.96Å; S104-C232 VanDerWaalsContact OG-CB 3.28Å; S104-C232 WeakPolarHBondContact OG-CB 3.33Å; S104-C232 PolarHBondContact OG-SG 2.93Å; S104-C232 VanDerWaalsContact OG-SG 3.33Å
105	A	98.7	Very high	97.5	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62	-42.3	175.5	0	0	0	0	0	111.9	L86 E101 L102 V108 S109 L309 L366 W367	L86-A105 HydrophobicContact CD1-CB 4.24Å; L86-A105 HydrophobicContact CD2-CB 4.49Å; E101-A105 WeakPolarHBondContact O-CB 3.29Å; E101-A105 PolarHBondContact O-N 2.92Å; L102-A105 PolarHBondContact O-N 3.27Å; A105-V108 PolarHBondContact O-N 3.36Å; A105-S109 VanDerWaalsContact O-CB 3.25Å; A105-S109 WeakPolarHBondContact O-CB 3.46Å; A105-S109 PolarHBondContact O-N 3.36Å; A105-S109 PolarHBondContact O-OG 3.42Å; A105-L309 HydrophobicContact CB-CD2 4.22Å; A105-L366 HydrophobicContact CB-CB 3.79Å; A105-L366 HydrophobicContact CB-CD1 4.41Å; A105-W367 HydrophobicContact CB-CB 4.12Å
106	F	98.8	Very high	97.2	Very high	1 Å²	1	10.9 Å²	10.9	0%	0.004	7%	0.067	C	C	.	.	H	α-helix	trans	-58.9	-49.5	174.3	173.4	-100.9	0	0	0	111.3	Y80 M81 L86 L87 L102 V103 S104 V108 S109 S110 L162 W198	Y80-F106 VanDerWaalsContact O-CE2 3.28Å; Y80-F106 WeakPolarHBondContact O-CE2 3.21Å; Y80-F106 WeakPolarHBondContact O-CZ 3.07Å; M81-F106 HydrophobicContact CE-CE2 4.45Å; M81-F106 HydrophobicContact CE-CZ 4.35Å; M81-F106 HydrophobicContact SD-CE2 4.32Å; M81-F106 HydrophobicContact SD-CZ 3.83Å; L86-F106 HydrophobicContact CB-CB 4Å; L86-F106 HydrophobicContact CB-CD2 4.47Å; L86-F106 HydrophobicContact CD1-CB 4.25Å; L87-F106 HydrophobicContact CD1-CD1 4.35Å; L87-F106 HydrophobicContact CD1-CD2 4.2Å; L87-F106 HydrophobicContact CD1-CE1 4.03Å; L87-F106 HydrophobicContact CD1-CE2 3.87Å; L87-F106 HydrophobicContact CD1-CG 4.43Å; L87-F106 HydrophobicContact CD1-CZ 3.79Å; L87-F106 HydrophobicContact CD2-CB 3.99Å; L87-F106 HydrophobicContact CD2-CD1 3.69Å; L87-F106 HydrophobicContact CD2-CD2 4.04Å; L87-F106 HydrophobicContact CD2-CE1 4.19Å; L87-F106 HydrophobicContact CD2-CG 3.61Å; L87-F106 HydrophobicContact CG-CD1 4.19Å; L87-F106 HydrophobicContact CG-CD2 3.77Å; L87-F106 HydrophobicContact CG-CE1 4.36Å; L87-F106 HydrophobicContact CG-CE2 3.96Å; L87-F106 HydrophobicContact CG-CG 3.89Å; L87-F106 HydrophobicContact CG-CZ 4.26Å; L102-F106 WeakPolarHBondContact O-CB 3.31Å; L102-F106 PolarHBondContact O-N 3.39Å; V103-F106 PolarHBondContact O-N 3.38Å; S104-F106 PolarHBondContact O-N 3.24Å; F106-V108 VanDerWaalsContact C-N 3.34Å; F106-V108 PolarHBondContact O-N 3.49Å; F106-S109 WeakPolarHBondContact CA-OG 3.42Å; F106-S109 PolarHBondContact O-N 2.97Å; F106-S109 PolarHBondContact O-OG 2.89Å; F106-S110 PolarHBondContact O-N 3.48Å; F106-L162 HydrophobicContact CE1-CD1 4.27Å; F106-L162 HydrophobicContact CE1-CD2 3.87Å; F106-L162 HydrophobicContact CZ-CD2 3.8Å; F106-W198 HydrophobicContact CD1-CH2 4.07Å; F106-W198 HydrophobicContact CD1-CZ2 4.14Å; F106-W198 HydrophobicContact CE1-CH2 4.05Å; F106-W198 HydrophobicContact CE1-CZ2 4.02Å
107	A	98.7	Very high	97	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-57.9	-43.9	179.2	0	0	0	0	0	112.1	V103 S104 S110 W198 L221 I223	V103-A107 PolarHBondContact O-N 3.04Å; S104-A107 PolarHBondContact O-N 3.27Å; A107-S110 PolarHBondContact O-OG 3.47Å; A107-W198 HydrophobicContact CB-CD2 4.24Å; A107-W198 HydrophobicContact CB-CG 4.48Å; A107-W198 HydrophobicContact CB-CZ2 4.13Å; A107-L221 HydrophobicContact CB-CD2 4.08Å; A107-I223 HydrophobicContact CB-CG1 4.18Å
108	V	98.5	Very high	96.6	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66.2	-47.1	175	176.8	0	0	0	0	111.5	S104 A105 F106 S110 M111 L221 L234 F236 W305 L309 W367	S104-V108 WeakPolarHBondContact O-CG2 3.49Å; S104-V108 PolarHBondContact O-N 2.96Å; A105-V108 PolarHBondContact O-N 3.36Å; F106-V108 VanDerWaalsContact C-N 3.34Å; F106-V108 PolarHBondContact O-N 3.49Å; V108-S110 PolarHBondContact O-N 3.38Å; V108-S110 VanDerWaalsContact O-N 3.16Å; V108-M111 PolarHBondContact O-N 3.45Å; V108-M111 VanDerWaalsContact O-N 3.1Å; V108-L221 HydrophobicContact CG2-CD2 4.2Å; V108-L234 HydrophobicContact CG2-CD1 3.5Å; V108-L234 VanDerWaalsContact CG2-CD1 3.5Å; V108-F236 HydrophobicContact CG1-CZ 4.3Å; V108-F236 HydrophobicContact CG2-CZ 4.07Å; V108-W305 HydrophobicContact CG1-CB 3.93Å; V108-L309 HydrophobicContact CB-CD2 4.3Å; V108-L309 HydrophobicContact CG2-CD2 4.03Å; V108-W367 HydrophobicContact CG1-CZ3 4.43Å
109	S	98.5	Very high	96.1	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.007	8%	0.077	C	C	.	.	H	α-helix	trans	-59.3	-29.6	-176.8	75	0	0	0	0	113.1	A105 F106 M111 S112 W367	A105-S109 VanDerWaalsContact O-CB 3.25Å; A105-S109 WeakPolarHBondContact O-CB 3.46Å; A105-S109 PolarHBondContact O-N 3.36Å; A105-S109 PolarHBondContact O-OG 3.42Å; F106-S109 WeakPolarHBondContact CA-OG 3.42Å; F106-S109 PolarHBondContact O-N 2.97Å; F106-S109 PolarHBondContact O-OG 2.89Å; S109-M111 PolarHBondContact O-N 3.17Å; S109-S112 VanDerWaalsContact O-CB 3.3Å; S109-S112 WeakPolarHBondContact O-CB 3.42Å; S109-S112 PolarHBondContact O-N 3.36Å; S109-S112 PolarHBondContact O-OG 2.6Å; S109-W367 VanDerWaalsContact CB-CE2 3.43Å
110	S	97.7	Very high	95.7	Very high	4 Å²	4	15.4 Å²	15.4	3%	0.028	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-17.8	177.7	77.6	0	0	0	0	114.4	Y80 F106 A107 V108	Y80-S110 WeakPolarHBondContact CD1-O 3.4Å; F106-S110 PolarHBondContact O-N 3.48Å; A107-S110 PolarHBondContact O-OG 3.47Å; V108-S110 PolarHBondContact O-N 3.38Å; V108-S110 VanDerWaalsContact O-N 3.16Å
111	M	96.4	Very high	95.5	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.01	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-10	-179.9	-67.9	177.8	-73	0	0	112.9	V108 S109 S113 N114 N200 V201 L221 F236 W305	V108-M111 PolarHBondContact O-N 3.45Å; V108-M111 VanDerWaalsContact O-N 3.1Å; S109-M111 PolarHBondContact O-N 3.17Å; M111-S113 VanDerWaalsContact C-N 3.31Å; M111-S113 PolarHBondContact O-N 2.87Å; M111-N114 VanDerWaalsContact O-CB 3.32Å; M111-N114 WeakPolarHBondContact O-CB 3.48Å; M111-N114 PolarHBondContact O-N 3.41Å; M111-N114 PolarHBondContact O-ND2 3.44Å; M111-N200 HydrophobicContact SD-CB 4.37Å; M111-V201 HydrophobicContact CE-CG2 4.18Å; M111-V201 HydrophobicContact SD-CG2 3.68Å; M111-L221 HydrophobicContact CE-CD2 4.28Å; M111-F236 HydrophobicContact CE-CE1 3.75Å; M111-F236 HydrophobicContact CE-CE2 4.27Å; M111-F236 HydrophobicContact CE-CZ 3.37Å; M111-W305 WeakPolarHBondContact O-CZ3 3.28Å
112	S	96.5	Very high	95.4	Very high	5 Å²	5	16.3 Å²	16.3	4%	0.035	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-62.5	-34.5	-172.5	67.2	0	0	0	0	113.8	Y83 S109 N114 A115 W305	Y83-S112 WeakPolarHBondContact CE2-OG 3.48Å; S109-S112 VanDerWaalsContact O-CB 3.3Å; S109-S112 WeakPolarHBondContact O-CB 3.42Å; S109-S112 PolarHBondContact O-N 3.36Å; S109-S112 PolarHBondContact O-OG 2.6Å; S112-N114 PolarHBondContact O-N 3.17Å; S112-N114 VanDerWaalsContact O-N 3.13Å; S112-A115 WeakPolarHBondContact O-CB 3.48Å; S112-A115 PolarHBondContact O-N 3.33Å; S112-A115 VanDerWaalsContact O-N 3.14Å; S112-W305 WeakPolarHBondContact CA-O 3.27Å; S112-W305 VanDerWaalsContact CB-O 3.25Å; S112-W305 WeakPolarHBondContact CB-O 3.14Å
113	S	96.3	Very high	95.1	Very high	4 Å²	4	18.4 Å²	18.4	3%	0.028	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-64.2	-20.7	-179.1	81	0	0	0	0	112.7	E79 M111 A115 R117	E79-S113 WeakPolarHBondContact OE2-CB 3.35Å; E79-S113 PolarHBondContact OE2-OG 3.29Å; M111-S113 VanDerWaalsContact C-N 3.31Å; M111-S113 PolarHBondContact O-N 2.87Å; S113-A115 PolarHBondContact O-N 3.03Å; S113-R117 WeakPolarHBondContact O-CD 3.45Å
114	N	95.4	Very high	94.9	Very high	20 Å²	20	18.4 Å²	18.4	11%	0.107	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-64.2	-23	177.3	-66.7	-33.4	0	0	0	112.8	R76 M111 S112 G116 R117 L203 V215 H217 W305	R76-N114 PolarHBondContact NH1-OD1 3.07Å; M111-N114 VanDerWaalsContact O-CB 3.32Å; M111-N114 WeakPolarHBondContact O-CB 3.48Å; M111-N114 PolarHBondContact O-N 3.41Å; M111-N114 PolarHBondContact O-ND2 3.44Å; S112-N114 PolarHBondContact O-N 3.17Å; S112-N114 VanDerWaalsContact O-N 3.13Å; N114-G116 PolarHBondContact O-N 2.78Å; N114-G116 VanDerWaalsContact O-N 3.12Å; N114-R117 WeakPolarHBondContact O-CB 3.41Å; N114-R117 PolarHBondContact O-N 3.1Å; N114-L203 HydrophobicContact CB-CD1 4.39Å; N114-V215 WeakPolarHBondContact O-CG2 3.44Å; N114-H217 PolarHBondContact ND2-NE2 2.88Å; N114-W305 HydrophobicContact CB-CZ3 4.32Å
115	A	91.8	Very high	94.8	Very high	19 Å²	19	18.6 Å²	18.6	16%	0.157	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	118.8	-177.3	0	0	0	0	0	111.9	S112 S113 R117 W305 K372	S112-A115 WeakPolarHBondContact O-CB 3.48Å; S112-A115 PolarHBondContact O-N 3.33Å; S112-A115 VanDerWaalsContact O-N 3.14Å; S113-A115 PolarHBondContact O-N 3.03Å; A115-R117 PolarHBondContact O-N 3.15Å; A115-W305 HydrophobicContact CB-CH2 4.04Å; A115-W305 HydrophobicContact CB-CZ3 3.98Å; A115-K372 PolarHBondContact O-NZ 3.44Å
116	G	89.1	Confident	94.6	Very high	39 Å²	39	20.8 Å²	20.8	40%	0.402	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	2.4	-179.2	0	0	0	0	0	115.9	N114 I118 N381	N114-G116 PolarHBondContact O-N 2.78Å; N114-G116 VanDerWaalsContact O-N 3.12Å; G116-I118 PolarHBondContact O-N 2.85Å; G116-N381 PolarHBondContact O-ND2 3.16Å
117	R	92.7	Very high	94.5	Very high	6 Å²	6	20.8 Å²	20.8	2%	0.023	12%	0.124	C	C	.	.			trans	-91.3	103.3	177	-67.7	-177.4	65.6	-168.6	13	111.1	E69 R76 E79 S113 N114 A115 N381 F382	E69-R117 IonicContact OE1-CZ 3.6Å; E69-R117 IonicContact OE1-NH2 3.21Å; E69-R117 PolarHBondContact OE1-NH2 3.08Å; E69-R117 IonicContact OE2-CZ 2.9Å; E69-R117 VanDerWaalsContact OE2-CZ 3.24Å; E69-R117 IonicContact OE2-NE 3.91Å; E69-R117 PolarHBondContact OE2-NE 2.98Å; E69-R117 IonicContact OE2-NH2 2.9Å; E69-R117 PolarHBondContact OE2-NH2 2.59Å; R76-R117 VanDerWaalsContact NE-CZ 3.26Å; E79-R117 IonicContact OE1-CZ 2.79Å; E79-R117 IonicContact OE1-NH1 3.94Å; E79-R117 PolarHBondContact OE1-NH1 3.22Å; E79-R117 IonicContact OE1-NH2 2.85Å; E79-R117 PolarHBondContact OE1-NH2 3.27Å; E79-R117 IonicContact OE2-CZ 3.38Å; E79-R117 IonicContact OE2-NH1 2.57Å; E79-R117 PolarHBondContact OE2-NH1 3.26Å; S113-R117 WeakPolarHBondContact O-CD 3.45Å; N114-R117 WeakPolarHBondContact O-CB 3.41Å; N114-R117 PolarHBondContact O-N 3.1Å; A115-R117 PolarHBondContact O-N 3.15Å; R117-N381 HydrophobicContact CG-CB 4.16Å; R117-F382 VanDerWaalsContact NH2-CE1 3.34Å
118	I	88.5	Confident	94.5	Very high	97 Å²	97	20.8 Å²	20.8	50%	0.497	12%	0.124	S	C	.	.			trans	-96.1	-14.4	177.7	62.6	173.6	0	0	0	113.2	G116 I213	G116-I118 PolarHBondContact O-N 2.85Å; I118-I213 HydrophobicContact CB-CG2 4.29Å; I118-I213 HydrophobicContact CG2-CB 4.16Å; I118-I213 HydrophobicContact CG2-CG2 3.79Å
119	G	89.1	Confident	94.5	Very high	16 Å²	16	20.8 Å²	20.8	17%	0.165	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-70.2	138.2	179.6	0	0	0	0	0	111.8	R76	R76-G119 PolarHBondContact NH2-O 3.32Å
120	K	89.5	Confident	94.5	Very high	87 Å²	87	20.8 Å²	20.8	38%	0.378	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	128.7	176.3	-170.3	-160.9	168.7	-174.5	0	109.7	L67 N68 E69	L67-K120 PolarHBondContact O-N 3.02Å; N68-K120 CarbonylContact C-O 3.46Å; N68-K120 WeakPolarHBondContact CA-O 3.44Å; N68-K120 WeakPolarHBondContact CB-O 3.43Å; N68-K120 PolarHBondContact ND2-O 3.01Å; E69-K120 PolarHBondContact N-O 3.11Å
121	P	94.8	Very high	94.4	Very high	19 Å²	19	20.8 Å²	20.8	12%	0.123	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	153.9	168	25.8	-31.9	0	0	0	110.8	N68 L71 F73 R76 N123	N68-P121 PolarHBondContact ND2-O 2.91Å; L71-P121 CarbonylContact O-C 3.59Å; L71-P121 VanDerWaalsContact O-CA 3.27Å; L71-P121 WeakPolarHBondContact O-CA 3.47Å; L71-P121 WeakPolarHBondContact O-CB 3.29Å; F73-P121 HydrophobicContact CB-CB 4.35Å; F73-P121 HydrophobicContact CB-CG 4.36Å; F73-P121 HydrophobicContact CD2-CB 4.49Å; F73-P121 HydrophobicContact CD2-CG 3.76Å; R76-P121 HydrophobicContact CB-CB 4.25Å; R76-P121 HydrophobicContact CB-CG 4.3Å; R76-P121 HydrophobicContact CG-CG 4.37Å; P121-N123 PolarHBondContact O-N 2.91Å
122	F	95.3	Very high	94.3	Very high	1 Å²	1	20.7 Å²	20.7	0%	0.004	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	135.2	172.5	-77.3	-107	0	0	0	109.5	I65 N68 E69 L71 F73 P124 D448 I449 F452 K464	I65-F122 HydrophobicContact CD1-CE1 4.04Å; I65-F122 HydrophobicContact CD1-CZ 3.79Å; I65-F122 HydrophobicContact CG1-CE1 4.1Å; I65-F122 HydrophobicContact CG1-CZ 3.66Å; N68-F122 HydrophobicContact CB-CD2 3.99Å; N68-F122 HydrophobicContact CB-CE2 3.56Å; N68-F122 HydrophobicContact CB-CZ 3.98Å; E69-F122 VanDerWaalsContact O-CD2 3.26Å; E69-F122 WeakPolarHBondContact O-CD2 3.42Å; E69-F122 VanDerWaalsContact O-CE2 3.27Å; E69-F122 WeakPolarHBondContact O-CE2 3.41Å; L71-F122 PolarHBondContact O-N 3.13Å; F73-F122 PolarHBondContact N-O 3.48Å; F122-P124 WeakPolarHBondContact O-CD 3.25Å; F122-D448 WeakPolarHBondContact CD1-OD2 3.4Å; F122-D448 HydrophobicContact CE1-CB 4.18Å; F122-D448 WeakPolarHBondContact CE1-OD2 3.49Å; F122-I449 HydrophobicContact CB-CD1 3.8Å; F122-I449 HydrophobicContact CB-CG1 4.06Å; F122-I449 HydrophobicContact CD1-CG1 3.9Å; F122-I449 HydrophobicContact CD2-CD1 4.21Å; F122-I449 HydrophobicContact CD2-CG1 3.81Å; F122-I449 HydrophobicContact CE1-CG1 4.25Å; F122-I449 HydrophobicContact CE2-CG1 4.17Å; F122-I449 HydrophobicContact CG-CD1 3.97Å; F122-I449 HydrophobicContact CG-CG1 3.66Å; F122-I449 HydrophobicContact CZ-CG1 4.37Å; F122-F452 HydrophobicContact CE2-CD1 4Å; F122-F452 HydrophobicContact CZ-CB 4.27Å; F122-F452 HydrophobicContact CZ-CD1 4.2Å; F122-F452 HydrophobicContact CZ-CG 4.34Å; F122-K464 HydrophobicContact CE1-CD 4.08Å; F122-K464 HydrophobicContact CE1-CG 4.46Å
123	N	92.8	Very high	94	Very high	65 Å²	65	20.7 Å²	20.7	35%	0.348	12%	0.122	S	C	.	.	P	Polyproline II helix	trans	-70.5	121.3	174.3	-171.6	22	0	0	0	107.9	P121 H146 R446	P121-N123 PolarHBondContact O-N 2.91Å; N123-H146 PolarHBondContact ND2-CE1 3.49Å; N123-H146 VanDerWaalsContact ND2-CE1 3.29Å; N123-R446 PolarHBondContact O-NH1 2.77Å
124	P	96.2	Very high	93.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-63.7	146.6	-177.1	-20.9	33.6	0	0	0	111.2	F73 L74 F122 E128 Q143	F73-P124 HydrophobicContact CB-CG 3.64Å; L74-P124 HydrophobicContact CD1-CB 4.33Å; L74-P124 HydrophobicContact CD2-CB 4.12Å; L74-P124 HydrophobicContact CD2-CG 3.81Å; L74-P124 HydrophobicContact CG-CB 3.94Å; L74-P124 HydrophobicContact CG-CG 3.75Å; F122-P124 WeakPolarHBondContact O-CD 3.25Å; P124-E128 WeakPolarHBondContact CA-OE2 3.48Å; P124-E128 HydrophobicContact CB-CB 4.14Å; P124-E128 HydrophobicContact CB-CG 4.4Å; P124-Q143 HydrophobicContact CB-CB 3.79Å; P124-Q143 HydrophobicContact CB-CG 3.85Å
125	L	95.6	Very high	93.4	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.026	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-69.8	151.8	168.9	-57.8	179.6	0	0	0	109.5	G127 E128 Q143 L467 Q471 L608 Y609	L125-G127 PolarHBondContact O-N 3.22Å; L125-E128 HydrophobicContact CB-CB 4.24Å; L125-E128 PolarHBondContact N-OE2 3.46Å; L125-E128 WeakPolarHBondContact O-CB 3.47Å; L125-E128 PolarHBondContact O-N 2.98Å; L125-Q143 WeakPolarHBondContact O-CB 3.22Å; L125-Q143 WeakPolarHBondContact O-CG 3.49Å; L125-L467 HydrophobicContact CD1-CB 4.25Å; L125-L467 HydrophobicContact CD1-CD1 4.5Å; L125-L467 HydrophobicContact CD1-CD2 4.23Å; L125-L467 HydrophobicContact CD2-CB 4.46Å; L125-Q471 VanDerWaalsContact CB-OE1 3.29Å; L125-Q471 HydrophobicContact CD2-CB 4.47Å; L125-L608 HydrophobicContact CD1-CB 4.23Å; L125-Y609 HydrophobicContact CD1-CD1 4.01Å; L125-Y609 HydrophobicContact CD1-CE1 3.97Å
126	L	95.6	Very high	93.3	Very high	45 Å²	45	28.5 Å²	28.5	24%	0.236	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	126.9	174.5	-179.6	62.7	0	0	0	109.4	E128 Q143 H146 V573 L608	L126-E128 VanDerWaalsContact C-N 3.26Å; L126-E128 PolarHBondContact O-N 2.85Å; L126-Q143 WeakPolarHBondContact CD1-O 3.3Å; L126-H146 HydrophobicContact CB-CB 4.22Å; L126-V573 HydrophobicContact CD2-CB 4.22Å; L126-V573 HydrophobicContact CD2-CG1 4.39Å; L126-V573 HydrophobicContact CG-CB 4.36Å; L126-V573 HydrophobicContact CG-CG1 3.99Å; L126-V573 WeakPolarHBondContact O-CG1 3.36Å; L126-L608 WeakPolarHBondContact O-CD2 3.28Å
127	G	96.5	Very high	93.5	Very high	2 Å²	2	26.7 Å²	26.7	2%	0.021	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	1.7	-174.6	0	0	0	0	0	114.9	L125 Q143	L125-G127 PolarHBondContact O-N 3.22Å; G127-Q143 PolarHBondContact N-O 2.79Å
128	E	98.2	Very high	93.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.132	C	C	.	.			trans	-58.8	141.3	168.1	-172.7	174.3	135.5	0	0	109.1	S72 L74 P124 L125 L126 E142 Q143 S443 R446 L608 Y609	S72-E128 VanDerWaalsContact CB-OE1 3.27Å; S72-E128 WeakPolarHBondContact CB-OE1 3.37Å; S72-E128 PolarHBondContact OG-OE1 3Å; L74-E128 HydrophobicContact CD1-CB 4.09Å; L74-E128 HydrophobicContact CD1-CG 3.83Å; L74-E128 VanDerWaalsContact CD1-O 3.29Å; L74-E128 WeakPolarHBondContact CD1-O 3.5Å; P124-E128 WeakPolarHBondContact CA-OE2 3.48Å; P124-E128 HydrophobicContact CB-CB 4.14Å; P124-E128 HydrophobicContact CB-CG 4.4Å; L125-E128 HydrophobicContact CB-CB 4.24Å; L125-E128 PolarHBondContact N-OE2 3.46Å; L125-E128 WeakPolarHBondContact O-CB 3.47Å; L125-E128 PolarHBondContact O-N 2.98Å; L126-E128 VanDerWaalsContact C-N 3.26Å; L126-E128 PolarHBondContact O-N 2.85Å; E128-E142 CarbonylContact O-C 3.53Å; E128-E142 WeakPolarHBondContact O-CA 3.35Å; E128-Q143 HydrophobicContact CB-CB 4.47Å; E128-Q143 PolarHBondContact O-N 3.43Å; E128-S443 PolarHBondContact OE1-OG 2.91Å; E128-S443 VanDerWaalsContact OE1-OG 3.07Å; E128-R446 IonicContact OE1-NH1 2.68Å; E128-R446 WeakPolarHBondContact OE2-CD 3.49Å; E128-R446 IonicContact OE2-CZ 3.33Å; E128-R446 IonicContact OE2-NE 3.61Å; E128-R446 IonicContact OE2-NH1 3.05Å; E128-R446 PolarHBondContact OE2-NH1 2.85Å; E128-L608 HydrophobicContact CB-CD1 4.32Å; E128-Y609 WeakPolarHBondContact CG-OH 3.46Å
129	T	98.4	Very high	94	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	165.1	178.6	64.3	0	0	0	0	111.5	L74 A141 E142 P439 T441 D442 S443 Y597	L74-T129 VanDerWaalsContact CD1-C 3.48Å; T129-A141 CarbonylContact C-O 3.59Å; T129-A141 WeakPolarHBondContact CA-O 3.38Å; T129-A141 WeakPolarHBondContact CB-O 3.31Å; T129-E142 HydrophobicContact CG2-CB 4.34Å; T129-E142 HydrophobicContact CG2-CG 4.2Å; T129-P439 VanDerWaalsContact OG1-CG 3.27Å; T129-P439 WeakPolarHBondContact OG1-CG 3.09Å; T129-T441 WeakPolarHBondContact CG2-OG1 3.41Å; T129-T441 PolarHBondContact N-O 2.88Å; T129-T441 PolarHBondContact OG1-O 3.17Å; T129-T441 PolarHBondContact OG1-OG1 2.97Å; T129-D442 CarbonylContact O-C 3.58Å; T129-D442 WeakPolarHBondContact O-CA 3.47Å; T129-S443 PolarHBondContact O-N 2.9Å; T129-S443 PolarHBondContact O-OG 3.42Å; T129-Y597 HydrophobicContact CG2-CE2 4.5Å
130	Y	98.2	Very high	94.3	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	128.3	168.4	176.2	-109.4	0	0	0	109.6	L74 Q75 A78 L132 F139 V140 A141 L389 D442 R444	L74-Y130 HydrophobicContact CB-CG 4.47Å; Q75-Y130 HydrophobicContact CG-CD1 4.13Å; Q75-Y130 HydrophobicContact CG-CD2 3.48Å; Q75-Y130 VanDerWaalsContact CG-CD2 3.48Å; Q75-Y130 HydrophobicContact CG-CE1 4.11Å; Q75-Y130 HydrophobicContact CG-CE2 3.41Å; Q75-Y130 VanDerWaalsContact CG-CE2 3.41Å; Q75-Y130 HydrophobicContact CG-CG 3.84Å; A78-Y130 HydrophobicContact CB-CD1 4.06Å; A78-Y130 HydrophobicContact CB-CE1 3.51Å; Y130-L132 HydrophobicContact CE1-CB 3.86Å; Y130-F139 HydrophobicContact CD1-CD1 4.08Å; Y130-F139 AromaticContact CD1-CE1 3.77Å; Y130-F139 HydrophobicContact CD1-CE1 3.77Å; Y130-F139 HydrophobicContact CE1-CD1 4.34Å; Y130-F139 HydrophobicContact CE1-CE1 4.32Å; Y130-V140 CarbonylContact O-C 3.55Å; Y130-V140 WeakPolarHBondContact O-CA 3.28Å; Y130-A141 PolarHBondContact N-O 3.49Å; Y130-A141 PolarHBondContact O-N 2.88Å; Y130-L389 WeakPolarHBondContact CE2-O 3.46Å; Y130-L389 WeakPolarHBondContact OH-CD2 3.45Å; Y130-L389 PolarHBondContact OH-O 3.17Å; Y130-L389 VanDerWaalsContact OH-O 3.05Å; Y130-D442 WeakPolarHBondContact CA-OD2 3.38Å; Y130-R444 VanDerWaalsContact CE2-NH1 3.33Å; Y130-R444 VanDerWaalsContact CE2-NH2 3.25Å; Y130-R444 PolarHBondContact OH-NH2 2.96Å
131	E	95.8	Very high	94.8	Very high	4 Å²	4	16.9 Å²	16.9	2%	0.019	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	146.3	171.4	-177.1	178.6	147.2	0	0	111.8	F139 L438 D442 R444 Y597 W598 R600	E131-F139 CarbonylContact C-O 3.5Å; E131-F139 WeakPolarHBondContact CA-O 3.28Å; E131-L438 HydrophobicContact CB-CD2 3.8Å; E131-L438 HydrophobicContact CG-CD2 4.32Å; E131-D442 PolarHBondContact N-OD2 3.15Å; E131-R444 VanDerWaalsContact O-CZ 3.29Å; E131-R444 PolarHBondContact O-NH1 3.45Å; E131-R444 PolarHBondContact O-NH2 2.7Å; E131-Y597 HydrophobicContact CB-CE1 4.27Å; E131-Y597 HydrophobicContact CG-CE1 4.31Å; E131-Y597 VanDerWaalsContact OE2-CE1 3.23Å; E131-Y597 WeakPolarHBondContact OE2-CE1 3.3Å; E131-Y597 PolarHBondContact OE2-OH 3.23Å; E131-W598 HydrophobicContact CG-CH2 4.24Å; E131-W598 HydrophobicContact CG-CZ3 4.04Å; E131-R600 VanDerWaalsContact CD-NH1 3.26Å; E131-R600 IonicContact OE1-CZ 3.4Å; E131-R600 IonicContact OE1-NH1 3.68Å; E131-R600 PolarHBondContact OE1-NH1 2.99Å; E131-R600 IonicContact OE1-NH2 3.46Å; E131-R600 PolarHBondContact OE1-NH2 3.03Å; E131-R600 IonicContact OE2-CZ 2.91Å; E131-R600 IonicContact OE2-NH1 3.78Å; E131-R600 PolarHBondContact OE2-NH1 3.18Å; E131-R600 IonicContact OE2-NH2 2.63Å
132	L	94.2	Very high	94.9	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	127.4	166.6	171.8	68.2	0	0	0	109.9	W29 V30 A78 Y130 F137 V138 F139 Y385 L389	W29-L132 HydrophobicContact CB-CD1 3.44Å; W29-L132 VanDerWaalsContact CB-CD1 3.44Å; W29-L132 HydrophobicContact CG-CD1 4.09Å; V30-L132 HydrophobicContact CG2-CD1 3.75Å; A78-L132 HydrophobicContact CB-CD2 4.37Å; Y130-L132 HydrophobicContact CE1-CB 3.86Å; L132-F137 HydrophobicContact CD2-CE2 4.37Å; L132-F137 HydrophobicContact CD2-CZ 4.45Å; L132-V138 CarbonylContact O-C 3.58Å; L132-V138 WeakPolarHBondContact O-CA 3.38Å; L132-F139 HydrophobicContact CB-CB 4.1Å; L132-F139 HydrophobicContact CB-CD1 4.39Å; L132-F139 PolarHBondContact N-O 2.76Å; L132-F139 PolarHBondContact O-N 3.34Å; L132-Y385 WeakPolarHBondContact CD2-OH 3.29Å; L132-L389 HydrophobicContact CD2-CD2 3.93Å
133	H	91.3	Very high	95.1	Very high	6 Å²	6	16 Å²	16	3%	0.028	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.4	165	176.3	-156.6	0	0	0	107.9	I20 G24 W29 F137 V138	I20-H133 PolarHBondContact O-CE1 3.32Å; G24-H133 PolarHBondContact O-CE1 3.21Å; W29-H133 WeakPolarHBondContact CB-O 3.05Å; H133-F137 PolarHBondContact CD2-O 2.88Å; H133-V138 HydrophobicContact CB-CG1 4.14Å
134	Y	90.8	Very high	95.2	Very high	55 Å²	55	13.2 Å²	13.2	22%	0.216	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	126.6	-177.6	-175.2	-108.6	0	0	0	110.6	V30 N136 F137 Y385	V30-Y134 HydrophobicContact CB-CD2 4.09Å; V30-Y134 HydrophobicContact CB-CE2 4.03Å; V30-Y134 HydrophobicContact CG1-CE2 4.35Å; V30-Y134 HydrophobicContact CG2-CD2 4.27Å; Y134-N136 PolarHBondContact O-N 2.84Å; Y134-F137 AromaticContact CD1-CE1 3.79Å; Y134-F137 HydrophobicContact CD1-CE1 3.79Å; Y134-F137 AromaticContact CD1-CZ 3.97Å; Y134-F137 HydrophobicContact CD1-CZ 3.97Å; Y134-F137 HydrophobicContact CG-CE1 4.45Å; Y134-F137 HydrophobicContact CG-CZ 4.36Å; Y134-F137 PolarHBondContact N-O 2.86Å; Y134-F137 WeakPolarHBondContact O-CD1 3.43Å; Y134-F137 WeakPolarHBondContact O-CE1 3.22Å; Y134-F137 PolarHBondContact O-N 3.33Å; Y134-F137 VanDerWaalsContact O-N 3.15Å; Y134-Y385 HydrophobicContact CD1-CD2 4.49Å; Y134-Y385 AromaticContact CD1-CE2 3.71Å; Y134-Y385 HydrophobicContact CD1-CE2 3.71Å; Y134-Y385 HydrophobicContact CD2-CE2 4.46Å; Y134-Y385 AromaticContact CE1-CD2 3.98Å; Y134-Y385 HydrophobicContact CE1-CD2 3.98Å; Y134-Y385 AromaticContact CE1-CE2 3.62Å; Y134-Y385 HydrophobicContact CE1-CE2 3.62Å; Y134-Y385 HydrophobicContact CE2-CD2 4.49Å; Y134-Y385 HydrophobicContact CE2-CE2 4.42Å; Y134-Y385 HydrophobicContact CG-CE2 4.13Å; Y134-Y385 AromaticContact CZ-CD2 3.98Å
135	K	88	Confident	95.1	Very high	109 Å²	109	14.8 Å²	14.8	47%	0.474	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	-106.1	-175.2	-60.4	172.9	178.3	171.5	0	111.7	E85	E85-K135 IonicContact OE2-NZ 3.67Å; E85-K135 PolarHBondContact OE2-NZ 3.49Å; E85-K135 VanDerWaalsContact OE2-NZ 3.07Å
136	N	89.2	Confident	94.7	Very high	43 Å²	43	16.3 Å²	16.3	23%	0.23	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	15.7	-172.3	65	-29.6	0	0	0	113	D88 Y134 S157	D88-N136 PolarHBondContact OD1-ND2 3.38Å; D88-N136 PolarHBondContact OD2-ND2 3Å; Y134-N136 PolarHBondContact O-N 2.84Å; N136-S157 VanDerWaalsContact O-CB 3.3Å; N136-S157 WeakPolarHBondContact O-CB 3.49Å
137	F	93.7	Very high	94.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	152.8	176.3	75.2	-98.3	0	0	0	112.5	M81 S84 L132 H133 Y134 F139 V155 E156	M81-F137 HydrophobicContact CB-CE1 4.06Å; M81-F137 HydrophobicContact CB-CE2 3.91Å; M81-F137 HydrophobicContact CB-CZ 3.44Å; M81-F137 VanDerWaalsContact CB-CZ 3.44Å; M81-F137 HydrophobicContact CE-CD1 4.26Å; M81-F137 HydrophobicContact CE-CD2 4.49Å; M81-F137 HydrophobicContact CE-CE1 4.25Å; M81-F137 HydrophobicContact CE-CG 4.38Å; M81-F137 HydrophobicContact CE-CZ 4.4Å; M81-F137 HydrophobicContact CG-CE2 4.07Å; M81-F137 HydrophobicContact CG-CZ 4.1Å; S84-F137 WeakPolarHBondContact OG-CE1 3.2Å; L132-F137 HydrophobicContact CD2-CE2 4.37Å; L132-F137 HydrophobicContact CD2-CZ 4.45Å; H133-F137 PolarHBondContact CD2-O 2.88Å; Y134-F137 AromaticContact CD1-CE1 3.79Å; Y134-F137 HydrophobicContact CD1-CE1 3.79Å; Y134-F137 AromaticContact CD1-CZ 3.97Å; Y134-F137 HydrophobicContact CD1-CZ 3.97Å; Y134-F137 HydrophobicContact CG-CE1 4.45Å; Y134-F137 HydrophobicContact CG-CZ 4.36Å; Y134-F137 PolarHBondContact N-O 2.86Å; Y134-F137 WeakPolarHBondContact O-CD1 3.43Å; Y134-F137 WeakPolarHBondContact O-CE1 3.22Å; Y134-F137 PolarHBondContact O-N 3.33Å; Y134-F137 VanDerWaalsContact O-N 3.15Å; F137-F139 HydrophobicContact CD2-CB 4.27Å; F137-F139 HydrophobicContact CE2-CB 4.03Å; F137-V155 HydrophobicContact CB-CG1 3.87Å; F137-V155 HydrophobicContact CD2-CG1 3.72Å; F137-V155 HydrophobicContact CG-CG1 3.99Å; F137-E156 CarbonylContact C-O 3.56Å; F137-E156 VanDerWaalsContact CA-O 3.24Å; F137-E156 WeakPolarHBondContact CA-O 3.36Å; F137-E156 WeakPolarHBondContact CB-O 3.23Å
138	V	94.2	Very high	93.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	143.4	165	-66.9	0	0	0	0	109.8	A17 I20 I21 L132 H133 V155 E156 W598	A17-V138 HydrophobicContact CB-CG2 3.73Å; I20-V138 HydrophobicContact CB-CG1 4.2Å; I20-V138 HydrophobicContact CG2-CG1 3.68Å; I21-V138 HydrophobicContact CD1-CG2 4.49Å; I21-V138 HydrophobicContact CG1-CG1 3.87Å; L132-V138 CarbonylContact O-C 3.58Å; L132-V138 WeakPolarHBondContact O-CA 3.38Å; H133-V138 HydrophobicContact CB-CG1 4.14Å; V138-V155 CarbonylContact O-C 3.57Å; V138-V155 VanDerWaalsContact O-CA 3.22Å; V138-V155 WeakPolarHBondContact O-CA 3.42Å; V138-E156 HydrophobicContact CG2-CB 3.93Å; V138-E156 PolarHBondContact N-O 2.82Å; V138-E156 PolarHBondContact O-N 3.03Å; V138-W598 HydrophobicContact CB-CH2 3.64Å; V138-W598 HydrophobicContact CB-CZ2 3.94Å; V138-W598 HydrophobicContact CB-CZ3 4.26Å; V138-W598 HydrophobicContact CG1-CH2 4.48Å; V138-W598 HydrophobicContact CG2-CH2 3.81Å; V138-W598 HydrophobicContact CG2-CZ2 3.57Å
139	F	96.2	Very high	93.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137.3	-179.4	171.2	-70.9	0	0	0	108	I77 A78 M81 Y130 E131 L132 F137 A141 F153 H154 V155	I77-F139 HydrophobicContact CD1-CZ 4.05Å; I77-F139 HydrophobicContact CG1-CZ 4.07Å; A78-F139 HydrophobicContact CB-CD1 4.21Å; A78-F139 HydrophobicContact CB-CD2 4.32Å; A78-F139 HydrophobicContact CB-CE1 3.91Å; A78-F139 HydrophobicContact CB-CE2 4.02Å; A78-F139 HydrophobicContact CB-CG 4.46Å; A78-F139 HydrophobicContact CB-CZ 3.81Å; M81-F139 HydrophobicContact CG-CD2 4.18Å; Y130-F139 HydrophobicContact CD1-CD1 4.08Å; Y130-F139 AromaticContact CD1-CE1 3.77Å; Y130-F139 HydrophobicContact CD1-CE1 3.77Å; Y130-F139 HydrophobicContact CE1-CD1 4.34Å; Y130-F139 HydrophobicContact CE1-CE1 4.32Å; E131-F139 CarbonylContact C-O 3.5Å; E131-F139 WeakPolarHBondContact CA-O 3.28Å; L132-F139 HydrophobicContact CB-CB 4.1Å; L132-F139 HydrophobicContact CB-CD1 4.39Å; L132-F139 PolarHBondContact N-O 2.76Å; L132-F139 PolarHBondContact O-N 3.34Å; F137-F139 HydrophobicContact CD2-CB 4.27Å; F137-F139 HydrophobicContact CE2-CB 4.03Å; F139-A141 HydrophobicContact CE1-CB 3.56Å; F139-A141 HydrophobicContact CZ-CB 3.82Å; F139-F153 HydrophobicContact CD2-CD2 4.16Å; F139-F153 HydrophobicContact CE1-CB 4.39Å; F139-F153 HydrophobicContact CE2-CB 3.88Å; F139-F153 HydrophobicContact CE2-CD1 4.5Å; F139-F153 AromaticContact CE2-CD2 3.54Å; F139-F153 HydrophobicContact CE2-CD2 3.54Å; F139-F153 HydrophobicContact CE2-CE2 4.18Å; F139-F153 AromaticContact CE2-CG 3.74Å; F139-F153 HydrophobicContact CE2-CG 3.74Å; F139-F153 HydrophobicContact CZ-CB 3.62Å; F139-F153 HydrophobicContact CZ-CD2 4.19Å; F139-F153 AromaticContact CZ-CG 3.94Å; F139-F153 HydrophobicContact CZ-CG 3.94Å; F139-H154 WeakPolarHBondContact CA-O 3.42Å; F139-V155 HydrophobicContact CB-CG2 4.16Å; F139-V155 HydrophobicContact CD2-CG2 3.46Å; F139-V155 VanDerWaalsContact CD2-CG2 3.46Å; F139-V155 HydrophobicContact CE2-CG2 4.25Å; F139-V155 HydrophobicContact CG-CG2 4.2Å
140	V	97.1	Very high	93.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	139	167.9	59.7	0	0	0	0	109.9	Y130 F153 H154 F578 I593 Y597 W598	Y130-V140 CarbonylContact O-C 3.55Å; Y130-V140 WeakPolarHBondContact O-CA 3.28Å; V140-F153 CarbonylContact O-C 3.53Å; V140-F153 WeakPolarHBondContact O-CA 3.2Å; V140-F153 WeakPolarHBondContact O-CB 3.38Å; V140-H154 HydrophobicContact CG1-CB 4.28Å; V140-H154 PolarHBondContact N-O 2.94Å; V140-H154 PolarHBondContact O-N 3.32Å; V140-F578 HydrophobicContact CG1-CZ 4.23Å; V140-I593 HydrophobicContact CG1-CD1 3.52Å; V140-Y597 HydrophobicContact CB-CD1 4.1Å; V140-Y597 HydrophobicContact CB-CE1 4.01Å; V140-Y597 HydrophobicContact CG2-CD1 3.71Å; V140-Y597 HydrophobicContact CG2-CD2 3.85Å; V140-Y597 HydrophobicContact CG2-CE1 3.53Å; V140-Y597 HydrophobicContact CG2-CE2 3.68Å; V140-Y597 HydrophobicContact CG2-CG 3.87Å; V140-W598 HydrophobicContact CB-CH2 4.07Å; V140-W598 HydrophobicContact CB-CZ2 4.07Å; V140-W598 HydrophobicContact CG1-CH2 4.36Å; V140-W598 HydrophobicContact CG1-CZ2 3.84Å
141	A	98.3	Very high	93.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	152.4	170.7	0	0	0	0	0	111.8	L74 I77 T129 Y130 F139 T151 A152 F153	L74-A141 HydrophobicContact CB-CB 4.28Å; L74-A141 HydrophobicContact CD2-CB 4.3Å; I77-A141 HydrophobicContact CD1-CB 3.85Å; T129-A141 CarbonylContact C-O 3.59Å; T129-A141 WeakPolarHBondContact CA-O 3.38Å; T129-A141 WeakPolarHBondContact CB-O 3.31Å; Y130-A141 PolarHBondContact N-O 3.49Å; Y130-A141 PolarHBondContact O-N 2.88Å; F139-A141 HydrophobicContact CE1-CB 3.56Å; F139-A141 HydrophobicContact CZ-CB 3.82Å; A141-T151 HydrophobicContact CB-CG2 4.49Å; A141-A152 CarbonylContact C-O 3.56Å; A141-A152 WeakPolarHBondContact CA-O 3.19Å; A141-A152 WeakPolarHBondContact CB-O 3.11Å; A141-F153 HydrophobicContact CB-CB 3.78Å
142	E	98.3	Very high	93.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	140.8	173	-175.2	175.7	-164.2	0	0	110.5	E128 T129 V144 A152 P575 L576 W577 F578	E128-E142 CarbonylContact O-C 3.53Å; E128-E142 WeakPolarHBondContact O-CA 3.35Å; T129-E142 HydrophobicContact CG2-CB 4.34Å; T129-E142 HydrophobicContact CG2-CG 4.2Å; E142-V144 HydrophobicContact CB-CG1 4.18Å; E142-V144 HydrophobicContact CG-CG1 4.22Å; E142-V144 PolarHBondContact O-N 3.03Å; E142-V144 VanDerWaalsContact O-N 3.11Å; E142-A152 PolarHBondContact N-O 3.38Å; E142-A152 PolarHBondContact O-N 2.7Å; E142-P575 VanDerWaalsContact OE1-CA 3.29Å; E142-P575 WeakPolarHBondContact OE1-CA 3.39Å; E142-L576 PolarHBondContact OE1-N 3.07Å; E142-L576 PolarHBondContact OE2-N 3.1Å; E142-W577 WeakPolarHBondContact OE2-CB 2.98Å; E142-W577 PolarHBondContact OE2-N 3.47Å; E142-F578 HydrophobicContact CB-CD2 3.55Å; E142-F578 HydrophobicContact CB-CE2 3.7Å; E142-F578 WeakPolarHBondContact OE2-CD2 3.46Å; E142-F578 PolarHBondContact OE2-N 3.48Å
143	Q	97.7	Very high	93.6	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.009	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	88.6	167.2	-169.2	68.7	20.2	0	0	110.3	L74 P124 L125 L126 G127 E128 S145 V150 T151	L74-Q143 HydrophobicContact CD2-CB 4.45Å; P124-Q143 HydrophobicContact CB-CB 3.79Å; P124-Q143 HydrophobicContact CB-CG 3.85Å; L125-Q143 WeakPolarHBondContact O-CB 3.22Å; L125-Q143 WeakPolarHBondContact O-CG 3.49Å; L126-Q143 WeakPolarHBondContact CD1-O 3.3Å; G127-Q143 PolarHBondContact N-O 2.79Å; E128-Q143 HydrophobicContact CB-CB 4.47Å; E128-Q143 PolarHBondContact O-N 3.43Å; Q143-S145 VanDerWaalsContact C-N 3.33Å; Q143-S145 PolarHBondContact NE2-O 3.03Å; Q143-S145 PolarHBondContact O-N 2.93Å; Q143-V150 PolarHBondContact NE2-O 2.74Å; Q143-T151 PolarHBondContact OE1-OG1 2.93Å
144	V	96.3	Very high	93.9	Very high	7 Å²	7	25 Å²	25	4%	0.042	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-18.2	-173.7	-58.3	0	0	0	0	114.1	E142 V150 A152 P575 F578 W591	E142-V144 HydrophobicContact CB-CG1 4.18Å; E142-V144 HydrophobicContact CG-CG1 4.22Å; E142-V144 PolarHBondContact O-N 3.03Å; E142-V144 VanDerWaalsContact O-N 3.11Å; V144-V150 HydrophobicContact CG2-CB 3.9Å; V144-V150 HydrophobicContact CG2-CG1 3.65Å; V144-V150 WeakPolarHBondContact CG2-O 3.33Å; V144-V150 PolarHBondContact N-O 3.33Å; V144-A152 HydrophobicContact CG1-CB 3.69Å; V144-A152 HydrophobicContact CG2-CB 4.26Å; V144-P575 HydrophobicContact CB-CB 4.13Å; V144-P575 HydrophobicContact CB-CG 3.81Å; V144-P575 HydrophobicContact CG1-CB 4.07Å; V144-P575 HydrophobicContact CG1-CG 4.31Å; V144-P575 WeakPolarHBondContact O-CG 3.13Å; V144-F578 HydrophobicContact CG1-CB 3.86Å; V144-F578 HydrophobicContact CG1-CD2 4.41Å; V144-F578 HydrophobicContact CG1-CG 4.32Å; V144-W591 HydrophobicContact CB-CD2 4.04Å; V144-W591 HydrophobicContact CB-CE3 4.02Å; V144-W591 HydrophobicContact CB-CH2 4.15Å; V144-W591 HydrophobicContact CB-CZ2 4.18Å; V144-W591 HydrophobicContact CB-CZ3 4.07Å; V144-W591 HydrophobicContact CG1-CD2 4.17Å; V144-W591 HydrophobicContact CG1-CE3 3.96Å; V144-W591 HydrophobicContact CG1-CZ3 4.33Å; V144-W591 HydrophobicContact CG2-CD2 3.82Å; V144-W591 HydrophobicContact CG2-CE3 4.32Å; V144-W591 HydrophobicContact CG2-CG 4.13Å; V144-W591 HydrophobicContact CG2-CZ2 4.04Å
145	S	93.6	Very high	94.2	Very high	32 Å²	32	22.4 Å²	22.4	22%	0.224	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	151.8	172	-171.1	0	0	0	0	111.6	Q143 P148 P149 V150	Q143-S145 VanDerWaalsContact C-N 3.33Å; Q143-S145 PolarHBondContact NE2-O 3.03Å; Q143-S145 PolarHBondContact O-N 2.93Å; S145-P148 CarbonylContact C-O 3.53Å; S145-P148 VanDerWaalsContact CB-O 3.28Å; S145-P148 WeakPolarHBondContact CB-O 3.26Å; S145-P148 PolarHBondContact OG-O 2.74Å; S145-P149 WeakPolarHBondContact O-CA 3.28Å; S145-V150 PolarHBondContact N-O 3.05Å; S145-V150 VanDerWaalsContact N-O 3.14Å; S145-V150 PolarHBondContact O-N 2.69Å
146	H	88.3	Confident	94.5	Very high	37 Å²	37	17.4 Å²	17.4	17%	0.171	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-23.4	176.6	-168.8	71.2	0	0	0	113.4	N123 L126 P148 Q471	N123-H146 PolarHBondContact ND2-CE1 3.49Å; N123-H146 VanDerWaalsContact ND2-CE1 3.29Å; L126-H146 HydrophobicContact CB-CB 4.22Å; H146-P148 CarbonylContact C-O 3.55Å; H146-P148 VanDerWaalsContact C-O 3.26Å; H146-P148 PolarHBondContact N-O 2.88Å; H146-P148 CarbonylContact O-C 3.57Å; H146-Q471 PolarHBondContact CD2-NE2 2.88Å; H146-Q471 VanDerWaalsContact CD2-NE2 3.3Å; H146-Q471 PolarHBondContact CE1-NE2 2.85Å; H146-Q471 PolarHBondContact ND1-NE2 3.29Å; H146-Q471 PolarHBondContact NE2-NE2 3.07Å
147	H	85.3	Confident	94.8	Very high	105 Å²	105	15.4 Å²	15.4	49%	0.486	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.7	90.3	177.9	-63.5	-53.2	0	0	0	110.8	R475	H147-R475 PolarHBondContact CD2-NH1 2.84Å; H147-R475 PolarHBondContact NE2-NH1 2.92Å
148	P	88.7	Confident	94.7	Very high	59 Å²	59	19.5 Å²	19.5	38%	0.383	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	cis	-71.8	160.8	-0.3	31.1	-35.6	0	0	0	113.2	S145 H146 V150 Q167	S145-P148 CarbonylContact C-O 3.53Å; S145-P148 VanDerWaalsContact CB-O 3.28Å; S145-P148 WeakPolarHBondContact CB-O 3.26Å; S145-P148 PolarHBondContact OG-O 2.74Å; H146-P148 CarbonylContact C-O 3.55Å; H146-P148 VanDerWaalsContact C-O 3.26Å; H146-P148 PolarHBondContact N-O 2.88Å; H146-P148 CarbonylContact O-C 3.57Å; P148-V150 HydrophobicContact CG-CG2 4.14Å; P148-V150 PolarHBondContact O-N 2.65Å; P148-Q167 HydrophobicContact CB-CG 4.2Å
149	P	90.6	Very high	94.7	Very high	45 Å²	45	22.7 Å²	22.7	29%	0.292	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	113.6	174.5	28.5	-33	0	0	0	109.4	S145	S145-P149 WeakPolarHBondContact O-CA 3.28Å
150	V	95	Very high	94.8	Very high	15 Å²	15	22.7 Å²	22.7	9%	0.091	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.5	177.4	-174.8	0	0	0	0	108.4	Q143 V144 S145 P148 T165 I166 Q167	Q143-V150 PolarHBondContact NE2-O 2.74Å; V144-V150 HydrophobicContact CG2-CB 3.9Å; V144-V150 HydrophobicContact CG2-CG1 3.65Å; V144-V150 WeakPolarHBondContact CG2-O 3.33Å; V144-V150 PolarHBondContact N-O 3.33Å; S145-V150 PolarHBondContact N-O 3.05Å; S145-V150 VanDerWaalsContact N-O 3.14Å; S145-V150 PolarHBondContact O-N 2.69Å; P148-V150 HydrophobicContact CG-CG2 4.14Å; P148-V150 PolarHBondContact O-N 2.65Å; V150-T165 HydrophobicContact CG1-CG2 3.56Å; V150-I166 WeakPolarHBondContact CA-O 3.27Å; V150-Q167 HydrophobicContact CG2-CB 4.22Å; V150-Q167 HydrophobicContact CG2-CG 4.28Å
151	T	97.1	Very high	94.8	Very high	3 Å²	3	23 Å²	23	2%	0.018	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	133.8	173.8	-54.4	0	0	0	0	108.7	F73 L74 I77 A141 Q143 T165 I166	F73-T151 WeakPolarHBondContact CD1-OG1 3.27Å; L74-T151 HydrophobicContact CD2-CG2 3.25Å; I77-T151 HydrophobicContact CD1-CG2 3.38Å; A141-T151 HydrophobicContact CB-CG2 4.49Å; Q143-T151 PolarHBondContact OE1-OG1 2.93Å; T151-T165 CarbonylContact O-C 3.55Å; T151-T165 WeakPolarHBondContact O-CA 3.25Å; T151-I166 PolarHBondContact N-O 3.33Å; T151-I166 PolarHBondContact O-N 2.89Å
152	A	98.1	Very high	94.8	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	141.1	169	0	0	0	0	0	109	A141 E142 V144 A164 F578 W591	A141-A152 CarbonylContact C-O 3.56Å; A141-A152 WeakPolarHBondContact CA-O 3.19Å; A141-A152 WeakPolarHBondContact CB-O 3.11Å; E142-A152 PolarHBondContact N-O 3.38Å; E142-A152 PolarHBondContact O-N 2.7Å; V144-A152 HydrophobicContact CG1-CB 3.69Å; V144-A152 HydrophobicContact CG2-CB 4.26Å; A152-A164 WeakPolarHBondContact CA-O 3.48Å; A152-F578 HydrophobicContact CB-CB 4.22Å; A152-F578 HydrophobicContact CB-CD1 3.55Å; A152-F578 HydrophobicContact CB-CD2 4.21Å; A152-F578 HydrophobicContact CB-CE1 3.87Å; A152-F578 HydrophobicContact CB-CG 3.73Å; A152-F578 HydrophobicContact CB-CZ 4.35Å; A152-W591 HydrophobicContact CB-CB 3.56Å; A152-W591 HydrophobicContact CB-CG 4.15Å
153	F	98.1	Very high	94.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	153.7	168.8	80.7	-101.5	0	0	0	112	I77 Y80 F139 V140 A141 V155 L162 R163 A164 I166	I77-F153 HydrophobicContact CD1-CB 3.86Å; I77-F153 HydrophobicContact CD1-CD1 3.73Å; I77-F153 HydrophobicContact CD1-CG 4.15Å; Y80-F153 HydrophobicContact CD2-CE1 4.06Å; Y80-F153 HydrophobicContact CD2-CZ 4.04Å; Y80-F153 HydrophobicContact CE2-CE1 4.34Å; F139-F153 HydrophobicContact CD2-CD2 4.16Å; F139-F153 HydrophobicContact CE1-CB 4.39Å; F139-F153 HydrophobicContact CE2-CB 3.88Å; F139-F153 HydrophobicContact CE2-CD1 4.5Å; F139-F153 AromaticContact CE2-CD2 3.54Å; F139-F153 HydrophobicContact CE2-CD2 3.54Å; F139-F153 HydrophobicContact CE2-CE2 4.18Å; F139-F153 AromaticContact CE2-CG 3.74Å; F139-F153 HydrophobicContact CE2-CG 3.74Å; F139-F153 HydrophobicContact CZ-CB 3.62Å; F139-F153 HydrophobicContact CZ-CD2 4.19Å; F139-F153 AromaticContact CZ-CG 3.94Å; F139-F153 HydrophobicContact CZ-CG 3.94Å; V140-F153 CarbonylContact O-C 3.53Å; V140-F153 WeakPolarHBondContact O-CA 3.2Å; V140-F153 WeakPolarHBondContact O-CB 3.38Å; A141-F153 HydrophobicContact CB-CB 3.78Å; F153-V155 HydrophobicContact CD2-CG2 4.02Å; F153-V155 HydrophobicContact CE2-CG2 3.99Å; F153-L162 HydrophobicContact CE2-CD2 3.95Å; F153-L162 HydrophobicContact CE2-CG 4.15Å; F153-L162 HydrophobicContact CZ-CD2 4.15Å; F153-L162 HydrophobicContact CZ-CG 4.47Å; F153-R163 WeakPolarHBondContact O-CA 3.36Å; F153-A164 HydrophobicContact CD1-CB 3.81Å; F153-A164 HydrophobicContact CE1-CB 3.23Å; F153-A164 HydrophobicContact CE2-CB 4.42Å; F153-A164 HydrophobicContact CZ-CB 3.57Å; F153-A164 PolarHBondContact N-O 3Å; F153-A164 PolarHBondContact O-N 2.89Å; F153-I166 HydrophobicContact CD1-CD1 4.43Å; F153-I166 HydrophobicContact CE1-CD1 4.07Å
154	H	98.1	Very high	94.7	Very high	14 Å²	14	24.4 Å²	24.4	7%	0.065	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	137.7	174.3	-174.5	83.6	0	0	0	109.7	F139 V140 E156 L162 F578 I593	F139-H154 WeakPolarHBondContact CA-O 3.42Å; V140-H154 HydrophobicContact CG1-CB 4.28Å; V140-H154 PolarHBondContact N-O 2.94Å; V140-H154 PolarHBondContact O-N 3.32Å; H154-E156 IonicContact CD2-OE2 3.8Å; H154-E156 IonicContact CE1-OE2 2.67Å; H154-E156 IonicContact NE2-OE2 3.21Å; H154-E156 PolarHBondContact NE2-OE2 2.81Å; H154-L162 CarbonylContact C-O 3.56Å; H154-F578 HydrophobicContact CB-CE1 3.96Å; H154-F578 HydrophobicContact CB-CZ 4.16Å; H154-I593 HydrophobicContact CB-CB 4Å; H154-I593 HydrophobicContact CB-CD1 4.16Å; H154-I593 HydrophobicContact CB-CG2 4.28Å
155	V	97.3	Very high	94.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	133.1	173.2	-179.7	0	0	0	0	107.9	M81 F137 V138 F139 F153 Y160 S161 L162	M81-V155 HydrophobicContact CE-CG1 3.84Å; M81-V155 HydrophobicContact CE-CG2 4.45Å; M81-V155 HydrophobicContact CG-CG2 4.02Å; M81-V155 HydrophobicContact SD-CG1 4.33Å; M81-V155 HydrophobicContact SD-CG2 3.86Å; F137-V155 HydrophobicContact CB-CG1 3.87Å; F137-V155 HydrophobicContact CD2-CG1 3.72Å; F137-V155 HydrophobicContact CG-CG1 3.99Å; V138-V155 CarbonylContact O-C 3.57Å; V138-V155 VanDerWaalsContact O-CA 3.22Å; V138-V155 WeakPolarHBondContact O-CA 3.42Å; F139-V155 HydrophobicContact CB-CG2 4.16Å; F139-V155 HydrophobicContact CD2-CG2 3.46Å; F139-V155 VanDerWaalsContact CD2-CG2 3.46Å; F139-V155 HydrophobicContact CE2-CG2 4.25Å; F139-V155 HydrophobicContact CG-CG2 4.2Å; F153-V155 HydrophobicContact CD2-CG2 4.02Å; F153-V155 HydrophobicContact CE2-CG2 3.99Å; V155-Y160 HydrophobicContact CG1-CE2 4.1Å; V155-S161 VanDerWaalsContact O-CA 3.23Å; V155-S161 WeakPolarHBondContact O-CA 3.37Å; V155-S161 WeakPolarHBondContact O-CB 3.21Å; V155-L162 HydrophobicContact CB-CB 4.03Å; V155-L162 WeakPolarHBondContact CB-O 3.16Å; V155-L162 HydrophobicContact CG2-CB 4.42Å; V155-L162 PolarHBondContact N-O 3.34Å; V155-L162 PolarHBondContact O-N 3.08Å
156	E	94.3	Very high	94.8	Very high	3 Å²	3	23.5 Å²	23.5	1%	0.014	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.9	175.1	-163.9	62.2	-141.6	0	0	109.5	N14 A17 F137 V138 H154 Y190	N14-E156 PolarHBondContact ND2-OE1 3.38Å; N14-E156 PolarHBondContact OD1-OE1 2.88Å; N14-E156 PolarHBondContact OD1-OE2 2.83Å; A17-E156 HydrophobicContact CB-CB 3.81Å; A17-E156 HydrophobicContact CB-CG 3.56Å; F137-E156 CarbonylContact C-O 3.56Å; F137-E156 VanDerWaalsContact CA-O 3.24Å; F137-E156 WeakPolarHBondContact CA-O 3.36Å; F137-E156 WeakPolarHBondContact CB-O 3.23Å; V138-E156 HydrophobicContact CG2-CB 3.93Å; V138-E156 PolarHBondContact N-O 2.82Å; V138-E156 PolarHBondContact O-N 3.03Å; H154-E156 IonicContact CD2-OE2 3.8Å; H154-E156 IonicContact CE1-OE2 2.67Å; H154-E156 IonicContact NE2-OE2 3.21Å; H154-E156 PolarHBondContact NE2-OE2 2.81Å; E156-Y190 WeakPolarHBondContact OE1-CE2 3.4Å; E156-Y190 PolarHBondContact OE1-OH 2.86Å; E156-Y190 PolarHBondContact OE2-OH 3.02Å
157	S	93.9	Very high	95	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.007	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	174.3	165.5	72.9	0	0	0	0	108.4	N136 N159 Y160	N136-S157 VanDerWaalsContact O-CB 3.3Å; N136-S157 WeakPolarHBondContact O-CB 3.49Å; S157-N159 PolarHBondContact O-N 3.07Å; S157-N159 VanDerWaalsContact O-N 3.17Å; S157-N159 PolarHBondContact OG-N 2.96Å; S157-Y160 PolarHBondContact N-O 3.13Å; S157-Y160 WeakPolarHBondContact OG-CD1 3.23Å; S157-Y160 WeakPolarHBondContact OG-CD2 3.45Å; S157-Y160 VanDerWaalsContact OG-CE1 3.3Å; S157-Y160 WeakPolarHBondContact OG-CE1 3.29Å; S157-Y160 PolarHBondContact OG-N 2.84Å; S157-Y160 PolarHBondContact OG-O 3.33Å
158	D	92.4	Very high	95	Very high	86 Å²	86	21.8 Å²	21.8	46%	0.46	12%	0.117	S	C	.	.	S	Bend	trans	-65	-19	175.2	-68.9	-31.9	0	0	0	113.8	S18	S18-D158 WeakPolarHBondContact CB-OD1 3.38Å; S18-D158 PolarHBondContact OG-OD1 2.77Å
159	N	95	Very high	94.7	Very high	68 Å²	68	24.2 Å²	24.2	36%	0.364	12%	0.122	S	C	.	.	S	Bend	trans	-121.3	-18.4	-169	-62.9	-61.7	0	0	0	115	V91 S157 Y190	V91-N159 HydrophobicContact CB-CB 4.32Å; V91-N159 HydrophobicContact CG1-CB 3.62Å; V91-N159 HydrophobicContact CG2-CB 3.8Å; S157-N159 PolarHBondContact O-N 3.07Å; S157-N159 VanDerWaalsContact O-N 3.17Å; S157-N159 PolarHBondContact OG-N 2.96Å; N159-Y190 WeakPolarHBondContact O-CB 3.33Å; N159-Y190 WeakPolarHBondContact O-CD2 3.49Å; N159-Y190 PolarHBondContact O-N 3.27Å
160	Y	96.9	Very high	94.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	157.2	-179.1	66	-101.1	0	0	0	111.7	M81 L87 V91 V155 S157 L187 Q188	M81-Y160 HydrophobicContact CE-CE2 4.27Å; L87-Y160 HydrophobicContact CB-CD1 4.03Å; L87-Y160 HydrophobicContact CB-CE1 3.8Å; L87-Y160 HydrophobicContact CD1-CD2 3.97Å; L87-Y160 HydrophobicContact CD1-CE1 4.37Å; L87-Y160 HydrophobicContact CD1-CE2 3.7Å; L87-Y160 HydrophobicContact CD1-CG 4.46Å; V91-Y160 HydrophobicContact CG2-CD1 4.15Å; V155-Y160 HydrophobicContact CG1-CE2 4.1Å; S157-Y160 PolarHBondContact N-O 3.13Å; S157-Y160 WeakPolarHBondContact OG-CD1 3.23Å; S157-Y160 WeakPolarHBondContact OG-CD2 3.45Å; S157-Y160 VanDerWaalsContact OG-CE1 3.3Å; S157-Y160 WeakPolarHBondContact OG-CE1 3.29Å; S157-Y160 PolarHBondContact OG-N 2.84Å; S157-Y160 PolarHBondContact OG-O 3.33Å; Y160-L187 HydrophobicContact CD2-CD1 4.34Å; Y160-Q188 CarbonylContact C-O 3.54Å; Y160-Q188 WeakPolarHBondContact CA-O 3.3Å; Y160-Q188 VanDerWaalsContact CB-O 3.3Å; Y160-Q188 WeakPolarHBondContact CB-O 3.49Å
161	S	97.1	Very high	93.7	Very high	6 Å²	6	33.8 Å²	33.8	4%	0.042	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	147	159.4	45	0	0	0	0	111.1	V155 L187 Q188 Y190	V155-S161 VanDerWaalsContact O-CA 3.23Å; V155-S161 WeakPolarHBondContact O-CA 3.37Å; V155-S161 WeakPolarHBondContact O-CB 3.21Å; S161-L187 CarbonylContact O-C 3.56Å; S161-L187 WeakPolarHBondContact O-CA 3.34Å; S161-Q188 PolarHBondContact N-O 3.34Å; S161-Q188 PolarHBondContact O-N 3.32Å; S161-Y190 WeakPolarHBondContact CB-OH 3.18Å; S161-Y190 PolarHBondContact OG-OH 2.9Å
162	L	98.2	Very high	92.7	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.3	172.7	-177.7	80.1	0	0	0	108.2	M81 F106 F153 H154 V155 V185 T186 L187 W198	M81-L162 HydrophobicContact SD-CD2 3.48Å; M81-L162 WeakPolarHBondContact SD-CD2 3.47Å; F106-L162 HydrophobicContact CE1-CD1 4.27Å; F106-L162 HydrophobicContact CE1-CD2 3.87Å; F106-L162 HydrophobicContact CZ-CD2 3.8Å; F153-L162 HydrophobicContact CE2-CD2 3.95Å; F153-L162 HydrophobicContact CE2-CG 4.15Å; F153-L162 HydrophobicContact CZ-CD2 4.15Å; F153-L162 HydrophobicContact CZ-CG 4.47Å; H154-L162 CarbonylContact C-O 3.56Å; V155-L162 HydrophobicContact CB-CB 4.03Å; V155-L162 WeakPolarHBondContact CB-O 3.16Å; V155-L162 HydrophobicContact CG2-CB 4.42Å; V155-L162 PolarHBondContact N-O 3.34Å; V155-L162 PolarHBondContact O-N 3.08Å; L162-V185 HydrophobicContact CD1-CG1 3.56Å; L162-V185 HydrophobicContact CG-CG1 4.22Å; L162-T186 WeakPolarHBondContact CA-O 3.5Å; L162-L187 HydrophobicContact CB-CD1 4.4Å; L162-L187 HydrophobicContact CD1-CB 3.73Å; L162-L187 HydrophobicContact CD1-CD1 4.14Å; L162-W198 HydrophobicContact CD1-CH2 3.67Å; L162-W198 HydrophobicContact CD1-CZ2 4.23Å
163	R	97.5	Very high	91.7	Very high	29 Å²	29	46 Å²	46	11%	0.109	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	149.3	175.4	64.3	-179.4	-172.8	-87	9.6	110.4	F153 V185 T186 N583 E590 L592	F153-R163 WeakPolarHBondContact O-CA 3.36Å; R163-V185 WeakPolarHBondContact O-CA 3.24Å; R163-T186 PolarHBondContact N-O 2.83Å; R163-T186 PolarHBondContact O-N 3.22Å; R163-N583 PolarHBondContact NH2-ND2 2.65Å; R163-E590 IonicContact CZ-OE1 3.24Å; R163-E590 IonicContact CZ-OE2 2.69Å; R163-E590 IonicContact NE-OE1 3.04Å; R163-E590 PolarHBondContact NE-OE1 3.26Å; R163-E590 IonicContact NE-OE2 2.88Å; R163-E590 PolarHBondContact NE-OE2 3.14Å; R163-E590 IonicContact NH2-OE1 2.8Å; R163-E590 PolarHBondContact NH2-OE1 3.3Å; R163-E590 IonicContact NH2-OE2 3.79Å; R163-E590 PolarHBondContact NH2-OE2 3.23Å; R163-L592 VanDerWaalsContact CD-CD2 3.47Å
164	A	97.3	Very high	90.9	Very high	2 Å²	2	47.2 Å²	47.2	2%	0.017	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	154.1	167.8	0	0	0	0	0	112.7	A152 F153 I166 L184 V185	A152-A164 WeakPolarHBondContact CA-O 3.48Å; F153-A164 HydrophobicContact CD1-CB 3.81Å; F153-A164 HydrophobicContact CE1-CB 3.23Å; F153-A164 HydrophobicContact CE2-CB 4.42Å; F153-A164 HydrophobicContact CZ-CB 3.57Å; F153-A164 PolarHBondContact N-O 3Å; F153-A164 PolarHBondContact O-N 2.89Å; A164-I166 HydrophobicContact CB-CD1 4.45Å; A164-I166 HydrophobicContact CB-CG1 4.18Å; A164-L184 VanDerWaalsContact CA-O 3.26Å; A164-L184 WeakPolarHBondContact CA-O 3.34Å; A164-L184 WeakPolarHBondContact CB-O 3.3Å; A164-V185 HydrophobicContact CB-CB 4.29Å; A164-V185 HydrophobicContact CB-CG1 4.38Å; A164-V185 HydrophobicContact CB-CG2 3.89Å
165	T	96.2	Very high	90.2	Very high	14 Å²	14	53.2 Å²	53.2	9%	0.086	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	128	163.4	-61.7	0	0	0	0	107.1	V150 T151 G183 L184 W591	V150-T165 HydrophobicContact CG1-CG2 3.56Å; T151-T165 CarbonylContact O-C 3.55Å; T151-T165 WeakPolarHBondContact O-CA 3.25Å; T165-G183 CarbonylContact O-C 3.58Å; T165-G183 WeakPolarHBondContact O-CA 3.37Å; T165-L184 PolarHBondContact N-O 3.36Å; T165-L184 PolarHBondContact O-N 2.57Å; T165-W591 PolarHBondContact OG1-N 2.85Å
166	I	95	Very high	89.6	Confident	6 Å²	6	54.1 Å²	54.1	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128	-177.3	-48.6	173.7	0	0	0	110.3	I77 Y80 V150 T151 F153 A164 F168 P181 K182	I77-I166 HydrophobicContact CG2-CD1 3.91Å; Y80-I166 HydrophobicContact CE2-CD1 3.85Å; V150-I166 WeakPolarHBondContact CA-O 3.27Å; T151-I166 PolarHBondContact N-O 3.33Å; T151-I166 PolarHBondContact O-N 2.89Å; F153-I166 HydrophobicContact CD1-CD1 4.43Å; F153-I166 HydrophobicContact CE1-CD1 4.07Å; A164-I166 HydrophobicContact CB-CD1 4.45Å; A164-I166 HydrophobicContact CB-CG1 4.18Å; I166-F168 HydrophobicContact CB-CE2 4.36Å; I166-F168 HydrophobicContact CG2-CD2 3.93Å; I166-F168 HydrophobicContact CG2-CE2 3.23Å; I166-F168 HydrophobicContact CG2-CZ 3.76Å; I166-P181 HydrophobicContact CG2-CB 4.2Å; I166-K182 CarbonylContact C-O 3.26Å; I166-K182 WeakPolarHBondContact CA-O 3.41Å
167	Q	92.7	Very high	89.3	Confident	54 Å²	54	55.1 Å²	55.1	25%	0.252	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	121.7	172.8	179.9	-170.3	-8.8	0	0	109	P148 V150 K182	P148-Q167 HydrophobicContact CB-CG 4.2Å; V150-Q167 HydrophobicContact CG2-CB 4.22Å; V150-Q167 HydrophobicContact CG2-CG 4.28Å; Q167-K182 PolarHBondContact N-O 2.79Å; Q167-K182 WeakPolarHBondContact O-CA 3.44Å; Q167-K182 WeakPolarHBondContact O-CB 3.32Å; Q167-K182 PolarHBondContact O-N 3.27Å
168	F	84.8	Confident	89	Confident	53 Å²	53	56.1 Å²	56.1	23%	0.232	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	135.9	175.4	-75.3	-86.7	0	0	0	112.5	F73 I166 V179 Q180 P181	F73-F168 HydrophobicContact CE1-CD2 4.02Å; F73-F168 AromaticContact CE1-CE2 3.57Å; F73-F168 HydrophobicContact CE1-CE2 3.57Å; F73-F168 HydrophobicContact CE2-CD2 4.23Å; F73-F168 AromaticContact CE2-CE2 3.62Å; F73-F168 HydrophobicContact CE2-CE2 3.62Å; F73-F168 AromaticContact CE2-CZ 3.99Å; F73-F168 HydrophobicContact CE2-CZ 3.99Å; F73-F168 AromaticContact CZ-CD2 3.74Å; F73-F168 HydrophobicContact CZ-CD2 3.74Å; F73-F168 AromaticContact CZ-CE2 2.97Å; F73-F168 HydrophobicContact CZ-CE2 2.97Å; F73-F168 AromaticContact CZ-CZ 3.62Å; F73-F168 HydrophobicContact CZ-CZ 3.62Å; I166-F168 HydrophobicContact CB-CE2 4.36Å; I166-F168 HydrophobicContact CG2-CD2 3.93Å; I166-F168 HydrophobicContact CG2-CE2 3.23Å; I166-F168 HydrophobicContact CG2-CZ 3.76Å; F168-V179 HydrophobicContact CD1-CG1 3.26Å; F168-V179 HydrophobicContact CE1-CG1 3.57Å; F168-V179 HydrophobicContact CG-CG1 4.31Å; F168-Q180 WeakPolarHBondContact CA-O 3.4Å; F168-P181 HydrophobicContact CD1-CB 4.2Å; F168-P181 HydrophobicContact CE1-CB 3.48Å; F168-P181 VanDerWaalsContact CE1-CB 3.48Å; F168-P181 HydrophobicContact CE1-CG 4.29Å; F168-P181 HydrophobicContact CZ-CB 3.68Å
169	K	83.8	Confident	88.9	Confident	109 Å²	109	53 Å²	53	47%	0.474	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126.6	164	-66.2	-175.1	179.5	179.2	0	108.8	Q180 K182	K169-Q180 HydrophobicContact CB-CB 4.36Å; K169-Q180 PolarHBondContact N-O 3.15Å; K169-Q180 PolarHBondContact O-N 2.99Å; K169-K182 HydrophobicContact CD-CG 4.38Å
170	L	83	Confident	88.8	Confident	127 Å²	127	51.4 Å²	51.4	67%	0.665	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	135.1	174.2	-63	174.4	0	0	0	109.3	V177 D178 V179	L170-V177 HydrophobicContact CD2-CG1 4.16Å; L170-D178 CarbonylContact C-O 3.5Å; L170-D178 WeakPolarHBondContact CA-O 3.09Å; L170-V179 HydrophobicContact CD2-CB 4.29Å; L170-V179 HydrophobicContact CD2-CG1 4.32Å; L170-V179 HydrophobicContact CD2-CG2 3.71Å
171	R	80.2	Confident	88.5	Confident	135 Å²	135	52 Å²	52	51%	0.509	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	119.6	172.8	-168.1	175.9	-163.3	177.8	7	109.8	W173 V177 D178	R171-W173 VanDerWaalsContact CD-CZ2 3.45Å; R171-W173 HydrophobicContact CG-CZ2 4.32Å; R171-W173 VanDerWaalsContact CZ-CH2 3.46Å; R171-V177 CarbonylContact O-C 3.55Å; R171-V177 WeakPolarHBondContact O-CA 3.35Å; R171-D178 HydrophobicContact CB-CB 4.29Å; R171-D178 PolarHBondContact N-O 3.34Å; R171-D178 PolarHBondContact O-N 3.1Å
172	F	76.2	Confident	88.3	Confident	113 Å²	113	55.6 Å²	55.6	50%	0.496	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	129.3	178	174.8	-102.8	0	0	0	110.2	G174 V177 I208 L209	F172-G174 VanDerWaalsContact CE1-CA 3.49Å; F172-G174 WeakPolarHBondContact CE2-O 3.41Å; F172-G174 WeakPolarHBondContact CZ-O 3.43Å; F172-V177 HydrophobicContact CD2-CG2 3.89Å; F172-I208 HydrophobicContact CD2-CD1 3.64Å; F172-I208 HydrophobicContact CE2-CD1 3.37Å; F172-I208 HydrophobicContact CE2-CG1 4.32Å; F172-L209 HydrophobicContact CZ-CD1 4.43Å
173	W	78.3	Confident	87.9	Confident	145 Å²	145	56.6 Å²	56.6	55%	0.549	27%	0.269	S	S	.	.			trans	-113.9	24.9	-178.8	-64.5	107.2	0	0	0	112.4	R171 K175 S176 D178	R171-W173 VanDerWaalsContact CD-CZ2 3.45Å; R171-W173 HydrophobicContact CG-CZ2 4.32Å; R171-W173 VanDerWaalsContact CZ-CH2 3.46Å; W173-K175 PolarHBondContact O-N 3.46Å; W173-K175 VanDerWaalsContact O-N 3.17Å; W173-S176 PolarHBondContact N-O 3.26Å; W173-D178 VanDerWaalsContact NE1-CG 3.31Å; W173-D178 PolarHBondContact NE1-OD2 3.43Å
174	G	79.9	Confident	87.9	Confident	27 Å²	27	55.5 Å²	55.5	28%	0.278	27%	0.265	S	S	.	.	S	Bend	trans	86.6	-78.9	-175.7	0	0	0	0	0	111.8	F172 L209	F172-G174 VanDerWaalsContact CE1-CA 3.49Å; F172-G174 WeakPolarHBondContact CE2-O 3.41Å; F172-G174 WeakPolarHBondContact CZ-O 3.43Å; G174-L209 WeakPolarHBondContact O-CD1 3.32Å; G174-L209 WeakPolarHBondContact O-CG 3.27Å
175	K	83.6	Confident	87.9	Confident	139 Å²	139	55.7 Å²	55.7	60%	0.604	27%	0.266	S	S	*	.	S	Bend	trans	-87.2	-15.8	-179.1	-68.2	-174.7	179	-179.1	0	114	W173 N207 I208	W173-K175 PolarHBondContact O-N 3.46Å; W173-K175 VanDerWaalsContact O-N 3.17Å; K175-N207 PolarHBondContact O-N 2.88Å; K175-N207 VanDerWaalsContact O-N 3.07Å; K175-I208 WeakPolarHBondContact O-CG1 3.34Å; K175-I208 PolarHBondContact O-N 3.37Å
176	S	86.2	Confident	88	Confident	20 Å²	20	55 Å²	55	14%	0.14	26%	0.261	C	S	.	.			trans	-133.5	157.7	-175.6	-52.6	0	0	0	0	112.2	W173 L205 H206	W173-S176 PolarHBondContact N-O 3.26Å; S176-L205 CarbonylContact C-O 3.51Å; S176-L205 WeakPolarHBondContact CA-O 3.43Å; S176-L205 VanDerWaalsContact CB-O 3.3Å; S176-L205 WeakPolarHBondContact CB-O 3.34Å; S176-H206 PolarHBondContact OG-ND1 3.12Å; S176-H206 VanDerWaalsContact OG-ND1 3.13Å
177	V	86.6	Confident	88.2	Confident	24 Å²	24	54.7 Å²	54.7	15%	0.145	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	122	171.1	175.1	0	0	0	0	108.9	L170 R171 F172 V179 T204 L205 I208	L170-V177 HydrophobicContact CD2-CG1 4.16Å; R171-V177 CarbonylContact O-C 3.55Å; R171-V177 WeakPolarHBondContact O-CA 3.35Å; F172-V177 HydrophobicContact CD2-CG2 3.89Å; V177-V179 HydrophobicContact CG1-CG2 4.38Å; V177-T204 WeakPolarHBondContact O-CA 3.42Å; V177-L205 HydrophobicContact CB-CB 4.34Å; V177-L205 PolarHBondContact N-O 3.1Å; V177-L205 PolarHBondContact O-N 2.77Å; V177-I208 HydrophobicContact CG2-CD1 3.4Å; V177-I208 HydrophobicContact CG2-CG1 4.29Å; V177-I208 HydrophobicContact CG2-CG2 4.4Å
178	D	88.9	Confident	88.5	Confident	22 Å²	22	53.7 Å²	53.7	12%	0.118	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	131.3	167.2	-73.8	-7.9	0	0	0	110.2	L170 R171 W173 T204	L170-D178 CarbonylContact C-O 3.5Å; L170-D178 WeakPolarHBondContact CA-O 3.09Å; R171-D178 HydrophobicContact CB-CB 4.29Å; R171-D178 PolarHBondContact N-O 3.34Å; R171-D178 PolarHBondContact O-N 3.1Å; W173-D178 VanDerWaalsContact NE1-CG 3.31Å; W173-D178 PolarHBondContact NE1-OD2 3.43Å; D178-T204 WeakPolarHBondContact OD1-CB 3.13Å; D178-T204 VanDerWaalsContact OD1-CG2 3.3Å; D178-T204 WeakPolarHBondContact OD1-CG2 3.39Å; D178-T204 PolarHBondContact OD1-OG1 2.72Å
179	V	90.2	Very high	89.1	Confident	20 Å²	20	51.2 Å²	51.2	12%	0.121	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	106.4	173.5	-179.2	0	0	0	0	106.3	F168 L170 V177 P181 L203 L205	F168-V179 HydrophobicContact CD1-CG1 3.26Å; F168-V179 HydrophobicContact CE1-CG1 3.57Å; F168-V179 HydrophobicContact CG-CG1 4.31Å; L170-V179 HydrophobicContact CD2-CB 4.29Å; L170-V179 HydrophobicContact CD2-CG1 4.32Å; L170-V179 HydrophobicContact CD2-CG2 3.71Å; V177-V179 HydrophobicContact CG1-CG2 4.38Å; V179-P181 VanDerWaalsContact O-CD 3.26Å; V179-P181 WeakPolarHBondContact O-CD 3.3Å; V179-L203 WeakPolarHBondContact CA-O 3.44Å; V179-L203 HydrophobicContact CB-CB 4.15Å; V179-L203 HydrophobicContact CB-CD2 4.47Å; V179-L203 WeakPolarHBondContact CB-O 3.41Å; V179-L203 HydrophobicContact CG2-CD2 4.49Å; V179-L203 PolarHBondContact N-O 3.01Å; V179-L203 PolarHBondContact O-N 2.72Å; V179-L205 HydrophobicContact CG2-CD1 4.29Å
180	Q	91.6	Very high	89.6	Confident	34 Å²	34	48.3 Å²	48.3	16%	0.159	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	106.5	-177.5	-57.1	-171.2	-12.4	0	0	110.2	F168 K169 K182 N202	F168-Q180 WeakPolarHBondContact CA-O 3.4Å; K169-Q180 HydrophobicContact CB-CB 4.36Å; K169-Q180 PolarHBondContact N-O 3.15Å; K169-Q180 PolarHBondContact O-N 2.99Å; Q180-K182 PolarHBondContact O-N 3Å; Q180-K182 VanDerWaalsContact OE1-CE 3.27Å; Q180-N202 WeakPolarHBondContact CG-OD1 3.12Å
181	P	91.4	Very high	90.1	Very high	12 Å²	12	49.1 Å²	49.1	8%	0.078	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	87.7	173.4	29.8	-31.5	0	0	0	109.5	I166 F168 V179 N200 V201	I166-P181 HydrophobicContact CG2-CB 4.2Å; F168-P181 HydrophobicContact CD1-CB 4.2Å; F168-P181 HydrophobicContact CE1-CB 3.48Å; F168-P181 VanDerWaalsContact CE1-CB 3.48Å; F168-P181 HydrophobicContact CE1-CG 4.29Å; F168-P181 HydrophobicContact CZ-CB 3.68Å; V179-P181 VanDerWaalsContact O-CD 3.26Å; V179-P181 WeakPolarHBondContact O-CD 3.3Å; P181-N200 HydrophobicContact CB-CB 4.4Å; P181-N200 HydrophobicContact CG-CB 3.88Å; P181-V201 WeakPolarHBondContact CD-O 3.5Å; P181-V201 WeakPolarHBondContact CG-O 3.2Å
182	K	92	Very high	90.8	Very high	83 Å²	83	45.1 Å²	45.1	36%	0.361	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	134.7	172.1	-59.7	-53.5	-177.3	-168.7	0	109.1	I166 Q167 K169 Q180	I166-K182 CarbonylContact C-O 3.26Å; I166-K182 WeakPolarHBondContact CA-O 3.41Å; Q167-K182 PolarHBondContact N-O 2.79Å; Q167-K182 WeakPolarHBondContact O-CA 3.44Å; Q167-K182 WeakPolarHBondContact O-CB 3.32Å; Q167-K182 PolarHBondContact O-N 3.27Å; K169-K182 HydrophobicContact CD-CG 4.38Å; Q180-K182 PolarHBondContact O-N 3Å; Q180-K182 VanDerWaalsContact OE1-CE 3.27Å
183	G	91.3	Very high	91.7	Very high	21 Å²	21	43.9 Å²	43.9	22%	0.216	22%	0.216	C	C	.	.	S	Bend	trans	143.2	166.2	179.6	0	0	0	0	0	113	T165 Q199	T165-G183 CarbonylContact O-C 3.58Å; T165-G183 WeakPolarHBondContact O-CA 3.37Å; G183-Q199 WeakPolarHBondContact O-CB 3.35Å; G183-Q199 WeakPolarHBondContact O-CG 3.5Å
184	L	96.5	Very high	92.5	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.031	19%	0.191	C	C	.	.			trans	-111	129	-174.7	-172	69.9	0	0	0	109.6	A164 T165 T197 Q199 N583 T586 Q588	A164-L184 VanDerWaalsContact CA-O 3.26Å; A164-L184 WeakPolarHBondContact CA-O 3.34Å; A164-L184 WeakPolarHBondContact CB-O 3.3Å; T165-L184 PolarHBondContact N-O 3.36Å; T165-L184 PolarHBondContact O-N 2.57Å; L184-T197 HydrophobicContact CD1-CG2 4.34Å; L184-T197 HydrophobicContact CD2-CG2 4.41Å; L184-Q199 HydrophobicContact CD1-CG 4.32Å; L184-N583 HydrophobicContact CD2-CB 3.66Å; L184-N583 VanDerWaalsContact CD2-CG 3.46Å; L184-N583 WeakPolarHBondContact CD2-ND2 3.44Å; L184-T586 HydrophobicContact CD1-CG2 4.1Å; L184-T586 HydrophobicContact CD2-CG2 4.12Å; L184-T586 WeakPolarHBondContact CD2-OG1 3.49Å; L184-Q588 HydrophobicContact CD2-CB 4.48Å
185	V	98.3	Very high	93.4	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.03	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	132.3	164.4	-172.8	0	0	0	0	107.9	L162 R163 A164 T197 W198	L162-V185 HydrophobicContact CD1-CG1 3.56Å; L162-V185 HydrophobicContact CG-CG1 4.22Å; R163-V185 WeakPolarHBondContact O-CA 3.24Å; A164-V185 HydrophobicContact CB-CB 4.29Å; A164-V185 HydrophobicContact CB-CG1 4.38Å; A164-V185 HydrophobicContact CB-CG2 3.89Å; V185-T197 WeakPolarHBondContact O-CA 3.34Å; V185-W198 HydrophobicContact CB-CD2 3.93Å; V185-W198 HydrophobicContact CB-CE3 4.47Å; V185-W198 HydrophobicContact CB-CG 4.3Å; V185-W198 HydrophobicContact CB-CH2 4.48Å; V185-W198 HydrophobicContact CB-CZ2 3.95Å; V185-W198 HydrophobicContact CG1-CD2 4.15Å; V185-W198 HydrophobicContact CG1-CE3 4.43Å; V185-W198 HydrophobicContact CG1-CH2 3.65Å; V185-W198 HydrophobicContact CG1-CZ2 3.3Å; V185-W198 HydrophobicContact CG1-CZ3 4.2Å; V185-W198 PolarHBondContact N-O 3.08Å; V185-W198 PolarHBondContact O-N 3.41Å; V185-W198 VanDerWaalsContact O-N 3.13Å
186	T	98.4	Very high	94.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	121.8	175.5	-54.6	0	0	0	0	110	L162 R163 Y196 T197 N583	L162-T186 WeakPolarHBondContact CA-O 3.5Å; R163-T186 PolarHBondContact N-O 2.83Å; R163-T186 PolarHBondContact O-N 3.22Å; T186-Y196 WeakPolarHBondContact CA-O 3.21Å; T186-T197 HydrophobicContact CG2-CG2 4.07Å; T186-N583 PolarHBondContact OG1-ND2 2.95Å
187	L	98.5	Very high	94.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	135.5	173.3	170.7	70.3	0	0	0	108.9	L87 V103 Y160 S161 L162 L189 S195 Y196 W198	L87-L187 HydrophobicContact CD1-CD1 4.07Å; L87-L187 HydrophobicContact CD2-CD1 4.12Å; L87-L187 HydrophobicContact CD2-CD2 3.73Å; V103-L187 HydrophobicContact CB-CD2 4.49Å; V103-L187 HydrophobicContact CG1-CD2 3.86Å; V103-L187 HydrophobicContact CG2-CD2 3.8Å; Y160-L187 HydrophobicContact CD2-CD1 4.34Å; S161-L187 CarbonylContact O-C 3.56Å; S161-L187 WeakPolarHBondContact O-CA 3.34Å; L162-L187 HydrophobicContact CB-CD1 4.4Å; L162-L187 HydrophobicContact CD1-CB 3.73Å; L162-L187 HydrophobicContact CD1-CD1 4.14Å; L187-L189 HydrophobicContact CD1-CD2 4.01Å; L187-L189 HydrophobicContact CD2-CD2 4.11Å; L187-L189 HydrophobicContact CD2-CG 4.47Å; L187-L189 HydrophobicContact CG-CD2 4.09Å; L187-L189 HydrophobicContact CG-CG 4.49Å; L187-S195 CarbonylContact O-C 3.49Å; L187-S195 WeakPolarHBondContact O-CA 3.33Å; L187-Y196 HydrophobicContact CD2-CD2 4.17Å; L187-Y196 HydrophobicContact CD2-CG 4.45Å; L187-Y196 HydrophobicContact CG-CD2 4.41Å; L187-Y196 PolarHBondContact N-O 3.26Å; L187-Y196 PolarHBondContact O-N 3.04Å; L187-W198 HydrophobicContact CB-CH2 4.08Å; L187-W198 HydrophobicContact CB-CZ3 3.83Å; L187-W198 HydrophobicContact CD2-CZ3 4.5Å
188	Q	98	Very high	95.3	Very high	33 Å²	33	28.3 Å²	28.3	15%	0.154	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	123.6	170	-171.5	176.1	0.4	0	0	109.7	Y160 S161 Y190 E194	Y160-Q188 CarbonylContact C-O 3.54Å; Y160-Q188 WeakPolarHBondContact CA-O 3.3Å; Y160-Q188 VanDerWaalsContact CB-O 3.3Å; Y160-Q188 WeakPolarHBondContact CB-O 3.49Å; S161-Q188 PolarHBondContact N-O 3.34Å; S161-Q188 PolarHBondContact O-N 3.32Å; Q188-Y190 HydrophobicContact CB-CE1 4.29Å; Q188-Y190 HydrophobicContact CG-CD1 4.02Å; Q188-Y190 HydrophobicContact CG-CE1 4.08Å; Q188-E194 CarbonylContact C-O 3.58Å; Q188-E194 VanDerWaalsContact CA-O 3.31Å; Q188-E194 WeakPolarHBondContact CA-O 3.46Å
189	L	97.5	Very high	95.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	113.1	171.5	-57.5	-174.3	0	0	0	108.8	A90 V91 L187 F192 N193 E194 Y196	A90-L189 HydrophobicContact CB-CD1 4.37Å; V91-L189 HydrophobicContact CG2-CD2 4.04Å; L187-L189 HydrophobicContact CD1-CD2 4.01Å; L187-L189 HydrophobicContact CD2-CD2 4.11Å; L187-L189 HydrophobicContact CD2-CG 4.47Å; L187-L189 HydrophobicContact CG-CD2 4.09Å; L187-L189 HydrophobicContact CG-CG 4.49Å; L189-F192 HydrophobicContact CB-CD2 4.41Å; L189-F192 HydrophobicContact CD1-CD2 4.48Å; L189-N193 PolarHBondContact O-N 3.19Å; L189-N193 VanDerWaalsContact O-N 3.08Å; L189-E194 HydrophobicContact CB-CB 4.46Å; L189-E194 PolarHBondContact N-O 3.43Å; L189-E194 PolarHBondContact O-N 2.86Å; L189-E194 VanDerWaalsContact O-N 3.13Å; L189-Y196 HydrophobicContact CD1-CE2 3.75Å; L189-Y196 HydrophobicContact CG-CD2 4.45Å; L189-Y196 HydrophobicContact CG-CE2 3.94Å
190	Y	94.8	Very high	96	Very high	48 Å²	48	30.7 Å²	30.7	19%	0.188	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-42.3	-170.4	-59.3	-30.8	0	0	0	112.9	N14 E156 N159 S161 Q188 F192 N193	N14-Y190 PolarHBondContact ND2-OH 2.93Å; E156-Y190 WeakPolarHBondContact OE1-CE2 3.4Å; E156-Y190 PolarHBondContact OE1-OH 2.86Å; E156-Y190 PolarHBondContact OE2-OH 3.02Å; N159-Y190 WeakPolarHBondContact O-CB 3.33Å; N159-Y190 WeakPolarHBondContact O-CD2 3.49Å; N159-Y190 PolarHBondContact O-N 3.27Å; S161-Y190 WeakPolarHBondContact CB-OH 3.18Å; S161-Y190 PolarHBondContact OG-OH 2.9Å; Q188-Y190 HydrophobicContact CB-CE1 4.29Å; Q188-Y190 HydrophobicContact CG-CD1 4.02Å; Q188-Y190 HydrophobicContact CG-CE1 4.08Å; Y190-F192 VanDerWaalsContact C-N 3.25Å; Y190-F192 PolarHBondContact O-N 2.86Å; Y190-N193 PolarHBondContact O-N 3.37Å
191	H	93.7	Very high	96.2	Very high	144 Å²	144	29.3 Å²	29.3	67%	0.667	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-37.5	-176.4	-173.1	70.7	0	0	0	112.6
192	F	94.3	Very high	96.4	Very high	51 Å²	51	30.7 Å²	30.7	22%	0.224	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-6.8	-178.9	-57.1	-72.9	0	0	0	113.7	V91 E93 R99 L189 Y190 E194	V91-F192 WeakPolarHBondContact O-CE2 3.3Å; E93-F192 WeakPolarHBondContact O-CZ 3.31Å; R99-F192 VanDerWaalsContact CD-CE2 3.42Å; R99-F192 VanDerWaalsContact NH1-CE1 3.28Å; L189-F192 HydrophobicContact CB-CD2 4.41Å; L189-F192 HydrophobicContact CD1-CD2 4.48Å; Y190-F192 VanDerWaalsContact C-N 3.25Å; Y190-F192 PolarHBondContact O-N 2.86Å; F192-E194 HydrophobicContact CB-CB 4.22Å; F192-E194 VanDerWaalsContact CB-CD 3.45Å; F192-E194 HydrophobicContact CB-CG 3.62Å; F192-E194 PolarHBondContact O-N 3.46Å
193	N	95.6	Very high	96.4	Very high	88 Å²	88	27.9 Å²	27.9	47%	0.471	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	44.1	-169.3	-163.8	28.7	0	0	0	112.3	L189 Y190 S227	L189-N193 PolarHBondContact O-N 3.19Å; L189-N193 VanDerWaalsContact O-N 3.08Å; Y190-N193 PolarHBondContact O-N 3.37Å; N193-S227 PolarHBondContact O-OG 2.53Å
194	E	96.6	Very high	96.4	Very high	6 Å²	6	27.3 Å²	27.3	3%	0.028	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	136.5	-175.7	-72.4	174.5	179.8	0	0	111.3	R99 Q188 L189 F192 Y196 S227 L228	R99-E194 IonicContact CZ-OE1 3.78Å; R99-E194 IonicContact CZ-OE2 3.02Å; R99-E194 IonicContact NE-OE1 2.85Å; R99-E194 PolarHBondContact NE-OE1 3.09Å; R99-E194 IonicContact NE-OE2 3.75Å; R99-E194 PolarHBondContact NE-OE2 2.96Å; R99-E194 IonicContact NH2-OE1 3.37Å; R99-E194 PolarHBondContact NH2-OE1 3.22Å; R99-E194 IonicContact NH2-OE2 3.39Å; Q188-E194 CarbonylContact C-O 3.58Å; Q188-E194 VanDerWaalsContact CA-O 3.31Å; Q188-E194 WeakPolarHBondContact CA-O 3.46Å; L189-E194 HydrophobicContact CB-CB 4.46Å; L189-E194 PolarHBondContact N-O 3.43Å; L189-E194 PolarHBondContact O-N 2.86Å; L189-E194 VanDerWaalsContact O-N 3.13Å; F192-E194 HydrophobicContact CB-CB 4.22Å; F192-E194 VanDerWaalsContact CB-CD 3.45Å; F192-E194 HydrophobicContact CB-CG 3.62Å; F192-E194 PolarHBondContact O-N 3.46Å; E194-Y196 HydrophobicContact CB-CD2 4.36Å; E194-Y196 HydrophobicContact CB-CE2 3.55Å; E194-Y196 PolarHBondContact OE2-OH 3.17Å; E194-S227 WeakPolarHBondContact CA-OG 3.01Å; E194-L228 WeakPolarHBondContact OE1-CD1 3.23Å
195	S	98	Very high	96	Very high	9 Å²	9	28.8 Å²	28.8	6%	0.063	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.4	174.8	-65.4	0	0	0	0	110.7	L187 H226 S227 F585	L187-S195 CarbonylContact O-C 3.49Å; L187-S195 WeakPolarHBondContact O-CA 3.33Å; S195-H226 PolarHBondContact O-N 3.36Å; S195-S227 PolarHBondContact N-OG 2.98Å; S195-F585 WeakPolarHBondContact OG-CE2 3.35Å; S195-F585 VanDerWaalsContact OG-CZ 3.29Å; S195-F585 WeakPolarHBondContact OG-CZ 3.46Å
196	Y	98.7	Very high	95.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	143.8	179.4	-57.3	-107.5	0	0	0	109.6	M100 V103 T186 L187 L189 E194 I223 T224 N225	M100-Y196 HydrophobicContact SD-CD1 3.8Å; M100-Y196 HydrophobicContact SD-CE1 3.59Å; M100-Y196 VanDerWaalsContact SD-CE1 3.59Å; V103-Y196 HydrophobicContact CB-CD1 4.31Å; V103-Y196 HydrophobicContact CB-CE1 4.33Å; V103-Y196 HydrophobicContact CG1-CD1 3.86Å; V103-Y196 HydrophobicContact CG1-CE1 4.38Å; V103-Y196 HydrophobicContact CG1-CG 4.13Å; V103-Y196 HydrophobicContact CG2-CD1 4.25Å; V103-Y196 HydrophobicContact CG2-CE1 4.02Å; V103-Y196 HydrophobicContact CG2-CE2 4.46Å; T186-Y196 WeakPolarHBondContact CA-O 3.21Å; L187-Y196 HydrophobicContact CD2-CD2 4.17Å; L187-Y196 HydrophobicContact CD2-CG 4.45Å; L187-Y196 HydrophobicContact CG-CD2 4.41Å; L187-Y196 PolarHBondContact N-O 3.26Å; L187-Y196 PolarHBondContact O-N 3.04Å; L189-Y196 HydrophobicContact CD1-CE2 3.75Å; L189-Y196 HydrophobicContact CG-CD2 4.45Å; L189-Y196 HydrophobicContact CG-CE2 3.94Å; E194-Y196 HydrophobicContact CB-CD2 4.36Å; E194-Y196 HydrophobicContact CB-CE2 3.55Å; E194-Y196 PolarHBondContact OE2-OH 3.17Å; Y196-I223 HydrophobicContact CD1-CG2 4.43Å; Y196-T224 CarbonylContact C-O 3.57Å; Y196-T224 WeakPolarHBondContact CA-O 3.48Å; Y196-N225 HydrophobicContact CD1-CB 3.82Å; Y196-N225 HydrophobicContact CE1-CB 3.69Å; Y196-N225 VanDerWaalsContact CE1-ND2 3.31Å; Y196-N225 WeakPolarHBondContact CE1-ND2 3.19Å; Y196-N225 PolarHBondContact OH-ND2 3.19Å
197	T	98.7	Very high	95	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.043	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	148.5	171.3	66.9	0	0	0	0	112.4	L184 V185 T186 T224 H226 T586	L184-T197 HydrophobicContact CD1-CG2 4.34Å; L184-T197 HydrophobicContact CD2-CG2 4.41Å; V185-T197 WeakPolarHBondContact O-CA 3.34Å; T186-T197 HydrophobicContact CG2-CG2 4.07Å; T197-T224 PolarHBondContact N-O 2.66Å; T197-T224 PolarHBondContact O-N 3.06Å; T197-H226 WeakPolarHBondContact CG2-NE2 3.09Å; T197-H226 PolarHBondContact OG1-NE2 2.77Å; T197-T586 HydrophobicContact CG2-CG2 4.18Å
198	W	98.4	Very high	94.1	Very high	6 Å²	6	33.8 Å²	33.8	2%	0.023	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	166.9	169.1	63.9	97	0	0	0	111	V103 F106 A107 L162 V185 L187 N200 L221 R222 I223	V103-W198 HydrophobicContact CG1-CZ3 4.22Å; F106-W198 HydrophobicContact CD1-CH2 4.07Å; F106-W198 HydrophobicContact CD1-CZ2 4.14Å; F106-W198 HydrophobicContact CE1-CH2 4.05Å; F106-W198 HydrophobicContact CE1-CZ2 4.02Å; A107-W198 HydrophobicContact CB-CD2 4.24Å; A107-W198 HydrophobicContact CB-CG 4.48Å; A107-W198 HydrophobicContact CB-CZ2 4.13Å; L162-W198 HydrophobicContact CD1-CH2 3.67Å; L162-W198 HydrophobicContact CD1-CZ2 4.23Å; V185-W198 HydrophobicContact CB-CD2 3.93Å; V185-W198 HydrophobicContact CB-CE3 4.47Å; V185-W198 HydrophobicContact CB-CG 4.3Å; V185-W198 HydrophobicContact CB-CH2 4.48Å; V185-W198 HydrophobicContact CB-CZ2 3.95Å; V185-W198 HydrophobicContact CG1-CD2 4.15Å; V185-W198 HydrophobicContact CG1-CE3 4.43Å; V185-W198 HydrophobicContact CG1-CH2 3.65Å; V185-W198 HydrophobicContact CG1-CZ2 3.3Å; V185-W198 HydrophobicContact CG1-CZ3 4.2Å; V185-W198 PolarHBondContact N-O 3.08Å; V185-W198 PolarHBondContact O-N 3.41Å; V185-W198 VanDerWaalsContact O-N 3.13Å; L187-W198 HydrophobicContact CB-CH2 4.08Å; L187-W198 HydrophobicContact CB-CZ3 3.83Å; L187-W198 HydrophobicContact CD2-CZ3 4.5Å; W198-N200 PolarHBondContact NE1-OD1 3.29Å; W198-N200 VanDerWaalsContact NE1-OD1 3.12Å; W198-L221 HydrophobicContact CB-CD1 4.05Å; W198-L221 HydrophobicContact CG-CD1 4.18Å; W198-R222 WeakPolarHBondContact CA-O 3.46Å; W198-R222 VanDerWaalsContact CB-O 3.32Å; W198-R222 WeakPolarHBondContact CB-O 3.27Å; W198-I223 HydrophobicContact CB-CB 4.45Å; W198-I223 HydrophobicContact CB-CG1 4.04Å; W198-I223 HydrophobicContact CE3-CG2 4.16Å; W198-I223 HydrophobicContact CG-CG1 4.37Å
199	Q	97	Very high	93.2	Very high	75 Å²	75	34.3 Å²	34.3	35%	0.35	17%	0.169	S	C	.	.			trans	-119.8	136.2	166.9	-56.3	-166.5	-22.9	0	0	108	G183 L184 L221 Q588	G183-Q199 WeakPolarHBondContact O-CB 3.35Å; G183-Q199 WeakPolarHBondContact O-CG 3.5Å; L184-Q199 HydrophobicContact CD1-CG 4.32Å; Q199-L221 WeakPolarHBondContact O-CD1 3.36Å; Q199-Q588 VanDerWaalsContact NE2-NE2 3.15Å
200	N	96.4	Very high	92.3	Very high	16 Å²	16	38.7 Å²	38.7	9%	0.086	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-70.6	153.3	-179.1	-75.8	2.3	0	0	0	111.6	Y80 M111 P181 W198	Y80-N200 WeakPolarHBondContact CE2-ND2 3.33Å; Y80-N200 PolarHBondContact OH-ND2 3.29Å; M111-N200 HydrophobicContact SD-CB 4.37Å; P181-N200 HydrophobicContact CB-CB 4.4Å; P181-N200 HydrophobicContact CG-CB 3.88Å; W198-N200 PolarHBondContact NE1-OD1 3.29Å; W198-N200 VanDerWaalsContact NE1-OD1 3.12Å
201	V	96.8	Very high	91.7	Very high	6 Å²	6	39.7 Å²	39.7	4%	0.036	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-77.2	167.6	178.7	-64.2	0	0	0	0	111.7	M111 P181 H217 L221 F236	M111-V201 HydrophobicContact CE-CG2 4.18Å; M111-V201 HydrophobicContact SD-CG2 3.68Å; P181-V201 WeakPolarHBondContact CD-O 3.5Å; P181-V201 WeakPolarHBondContact CG-O 3.2Å; V201-H217 HydrophobicContact CG2-CB 3.95Å; V201-L221 HydrophobicContact CG1-CB 3.79Å; V201-F236 HydrophobicContact CB-CD2 4.47Å; V201-F236 HydrophobicContact CG1-CD2 3.84Å; V201-F236 HydrophobicContact CG1-CE2 4.18Å; V201-F236 HydrophobicContact CG1-CG 4.38Å; V201-F236 HydrophobicContact CG2-CB 4.49Å; V201-F236 HydrophobicContact CG2-CD1 3.94Å; V201-F236 HydrophobicContact CG2-CD2 4.01Å; V201-F236 HydrophobicContact CG2-CE1 4.09Å; V201-F236 HydrophobicContact CG2-CE2 4.21Å; V201-F236 HydrophobicContact CG2-CG 3.9Å; V201-F236 HydrophobicContact CG2-CZ 4.24Å
202	N	94.3	Very high	91.2	Very high	40 Å²	40	40.6 Å²	40.6	21%	0.214	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	153	179.3	-60.3	-29.1	0	0	0	110.5	Q180 H217 T218	Q180-N202 WeakPolarHBondContact CG-OD1 3.12Å; N202-H217 VanDerWaalsContact O-CA 3.28Å; N202-H217 WeakPolarHBondContact O-CA 3.32Å; N202-H217 PolarHBondContact O-ND1 3.16Å; N202-H217 VanDerWaalsContact O-ND1 3.11Å; N202-T218 PolarHBondContact N-O 3.06Å; N202-T218 VanDerWaalsContact N-O 3.17Å; N202-T218 PolarHBondContact O-N 3.24Å
203	L	93.3	Very high	90.8	Very high	25 Å²	25	40.3 Å²	40.3	13%	0.131	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	124.9	166.3	175.8	83.4	0	0	0	108	N114 V179 V215 E216 H217	N114-L203 HydrophobicContact CB-CD1 4.39Å; V179-L203 WeakPolarHBondContact CA-O 3.44Å; V179-L203 HydrophobicContact CB-CB 4.15Å; V179-L203 HydrophobicContact CB-CD2 4.47Å; V179-L203 WeakPolarHBondContact CB-O 3.41Å; V179-L203 HydrophobicContact CG2-CD2 4.49Å; V179-L203 PolarHBondContact N-O 3.01Å; V179-L203 PolarHBondContact O-N 2.72Å; L203-V215 HydrophobicContact CD1-CB 4.09Å; L203-E216 CarbonylContact C-O 3.51Å; L203-E216 WeakPolarHBondContact CA-O 3.37Å; L203-H217 WeakPolarHBondContact CD1-NE2 3.14Å
204	T	90.3	Very high	90.3	Very high	8 Å²	8	39.5 Å²	39.5	5%	0.049	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	124.3	176	-57.1	0	0	0	0	109.5	V177 D178 H206 V215 E216	V177-T204 WeakPolarHBondContact O-CA 3.42Å; D178-T204 WeakPolarHBondContact OD1-CB 3.13Å; D178-T204 VanDerWaalsContact OD1-CG2 3.3Å; D178-T204 WeakPolarHBondContact OD1-CG2 3.39Å; D178-T204 PolarHBondContact OD1-OG1 2.72Å; T204-H206 VanDerWaalsContact CG2-CE1 3.44Å; T204-H206 WeakPolarHBondContact CG2-CE1 3.37Å; T204-V215 WeakPolarHBondContact O-CA 3.3Å; T204-E216 PolarHBondContact N-O 3.35Å; T204-E216 PolarHBondContact O-N 3.06Å
205	L	88.7	Confident	90.1	Very high	37 Å²	37	39.7 Å²	39.7	19%	0.194	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	111.3	167.5	-73.3	159.4	0	0	0	107.8	S176 V177 V179 I208 I213 V215	S176-L205 CarbonylContact C-O 3.51Å; S176-L205 WeakPolarHBondContact CA-O 3.43Å; S176-L205 VanDerWaalsContact CB-O 3.3Å; S176-L205 WeakPolarHBondContact CB-O 3.34Å; V177-L205 HydrophobicContact CB-CB 4.34Å; V177-L205 PolarHBondContact N-O 3.1Å; V177-L205 PolarHBondContact O-N 2.77Å; V179-L205 HydrophobicContact CG2-CD1 4.29Å; L205-I208 HydrophobicContact CB-CG2 3.85Å; L205-I213 HydrophobicContact CD2-CG2 4.14Å; L205-V215 HydrophobicContact CD2-CG1 3.52Å
206	H	88	Confident	89.7	Confident	34 Å²	34	39.4 Å²	39.4	16%	0.157	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	158.7	179.4	-66.4	-78	0	0	0	111.4	S176 T204 I208 I213 W214 E216	S176-H206 PolarHBondContact OG-ND1 3.12Å; S176-H206 VanDerWaalsContact OG-ND1 3.13Å; T204-H206 VanDerWaalsContact CG2-CE1 3.44Å; T204-H206 WeakPolarHBondContact CG2-CE1 3.37Å; H206-I208 VanDerWaalsContact C-N 3.28Å; H206-I208 PolarHBondContact O-N 2.95Å; H206-I213 WeakPolarHBondContact O-CA 3.22Å; H206-W214 HydrophobicContact CB-CD2 3.92Å; H206-W214 HydrophobicContact CB-CG 4.16Å; H206-W214 HydrophobicContact CB-CZ2 3.76Å; H206-W214 VanDerWaalsContact CB-NE1 3.31Å; H206-W214 AromaticContact CD2-CD2 3.8Å; H206-W214 AromaticContact CD2-CE2 3.56Å; H206-W214 AromaticContact CD2-CE3 3.76Å; H206-W214 AromaticContact CD2-CH2 3.24Å; H206-W214 WeakPolarHBondContact CD2-CH2 3.43Å; H206-W214 AromaticContact CD2-CZ2 3.27Å; H206-W214 WeakPolarHBondContact CD2-CZ2 3.29Å; H206-W214 AromaticContact CD2-CZ3 3.52Å; H206-W214 AromaticContact CG-CE2 3.63Å; H206-W214 AromaticContact CG-CH2 3.94Å; H206-W214 AromaticContact CG-CZ2 3.48Å; H206-W214 VanDerWaalsContact CG-CZ2 3.48Å; H206-W214 PolarHBondContact N-O 3.1Å; H206-W214 AromaticContact NE2-CH2 3.41Å; H206-W214 WeakPolarHBondContact NE2-CH2 3.45Å; H206-W214 AromaticContact NE2-CZ2 3.74Å; H206-W214 AromaticContact NE2-CZ3 3.9Å; H206-W214 PolarHBondContact O-N 3.07Å; H206-E216 IonicContact CD2-OE2 3.6Å; H206-E216 IonicContact CE1-OE2 2.92Å; H206-E216 IonicContact NE2-OE2 2.83Å; H206-E216 PolarHBondContact NE2-OE2 3.26Å
207	N	87	Confident	89.6	Confident	56 Å²	56	39.8 Å²	39.8	30%	0.299	22%	0.215	S	C	.	.			trans	58.8	31.4	174.2	-65.4	-16.7	0	0	0	115	K175 L209 T210 K212 W214	K175-N207 PolarHBondContact O-N 2.88Å; K175-N207 VanDerWaalsContact O-N 3.07Å; N207-L209 PolarHBondContact O-N 3.38Å; N207-L209 VanDerWaalsContact O-N 3.09Å; N207-T210 WeakPolarHBondContact CB-O 3.22Å; N207-T210 PolarHBondContact O-N 3.04Å; N207-K212 VanDerWaalsContact CB-O 3.3Å; N207-K212 WeakPolarHBondContact CB-O 3.48Å; N207-K212 PolarHBondContact ND2-O 3.08Å; N207-K212 VanDerWaalsContact ND2-O 3.15Å; N207-W214 PolarHBondContact ND2-NE1 3.33Å
208	I	80.9	Confident	89.3	Confident	20 Å²	20	40.7 Å²	40.7	10%	0.103	22%	0.22	C	C	.	.	S	Bend	trans	-67	-13.7	-176.5	60.8	145.9	0	0	0	114.5	F172 K175 V177 L205 H206	F172-I208 HydrophobicContact CD2-CD1 3.64Å; F172-I208 HydrophobicContact CE2-CD1 3.37Å; F172-I208 HydrophobicContact CE2-CG1 4.32Å; K175-I208 WeakPolarHBondContact O-CG1 3.34Å; K175-I208 PolarHBondContact O-N 3.37Å; V177-I208 HydrophobicContact CG2-CD1 3.4Å; V177-I208 HydrophobicContact CG2-CG1 4.29Å; V177-I208 HydrophobicContact CG2-CG2 4.4Å; L205-I208 HydrophobicContact CB-CG2 3.85Å; H206-I208 VanDerWaalsContact C-N 3.28Å; H206-I208 PolarHBondContact O-N 2.95Å
209	L	79.1	Confident	89.2	Confident	44 Å²	44	41.9 Å²	41.9	23%	0.23	23%	0.234	C	C	.	.	S	Bend	trans	-101.1	-39.6	177.9	-60.8	-171.5	0	0	0	113.1	W47 F172 G174 N207	W47-L209 HydrophobicContact CD2-CD2 4.3Å; W47-L209 HydrophobicContact CE3-CD1 4.38Å; W47-L209 HydrophobicContact CE3-CD2 3.54Å; W47-L209 HydrophobicContact CZ3-CD1 4.29Å; W47-L209 HydrophobicContact CZ3-CD2 4.06Å; F172-L209 HydrophobicContact CZ-CD1 4.43Å; G174-L209 WeakPolarHBondContact O-CD1 3.32Å; G174-L209 WeakPolarHBondContact O-CG 3.27Å; N207-L209 PolarHBondContact O-N 3.38Å; N207-L209 VanDerWaalsContact O-N 3.09Å
210	T	78.8	Confident	89.2	Confident	93 Å²	93	41.8 Å²	41.8	57%	0.571	24%	0.239	S	C	*	.	S	Bend	trans	-150.4	135.4	-171.1	53.8	0	0	0	0	110.5	N207	N207-T210 WeakPolarHBondContact CB-O 3.22Å; N207-T210 PolarHBondContact O-N 3.04Å
211	G	81.3	Confident	89.3	Confident	68 Å²	68	41 Å²	41	70%	0.701	24%	0.235	S	C	*	.	S	Bend	trans	90.2	-171.3	-179.1	0	0	0	0	0	112.9	I213	G211-I213 PolarHBondContact O-N 3.32Å
212	K	82.7	Confident	89.3	Confident	163 Å²	163	46.1 Å²	46.1	71%	0.709	25%	0.253	S	S	*	.			trans	-77.3	121.6	178.9	-174.2	177.8	178.3	-176.5	0	109.7	N207	N207-K212 VanDerWaalsContact CB-O 3.3Å; N207-K212 WeakPolarHBondContact CB-O 3.48Å; N207-K212 PolarHBondContact ND2-O 3.08Å; N207-K212 VanDerWaalsContact ND2-O 3.15Å
213	I	85.5	Confident	89.6	Confident	45 Å²	45	44.2 Å²	44.2	23%	0.231	24%	0.243	C	C	.	.			trans	-66.9	133.8	173.8	-57.4	177.1	0	0	0	108.8	I118 L205 H206 G211	I118-I213 HydrophobicContact CB-CG2 4.29Å; I118-I213 HydrophobicContact CG2-CB 4.16Å; I118-I213 HydrophobicContact CG2-CG2 3.79Å; L205-I213 HydrophobicContact CD2-CG2 4.14Å; H206-I213 WeakPolarHBondContact O-CA 3.22Å; G211-I213 PolarHBondContact O-N 3.32Å
214	W	86.8	Confident	89.8	Confident	71 Å²	71	44.7 Å²	44.7	27%	0.269	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	163.4	174	63.1	-81.8	0	0	0	110.5	H206 N207 E216	H206-W214 HydrophobicContact CB-CD2 3.92Å; H206-W214 HydrophobicContact CB-CG 4.16Å; H206-W214 HydrophobicContact CB-CZ2 3.76Å; H206-W214 VanDerWaalsContact CB-NE1 3.31Å; H206-W214 AromaticContact CD2-CD2 3.8Å; H206-W214 AromaticContact CD2-CE2 3.56Å; H206-W214 AromaticContact CD2-CE3 3.76Å; H206-W214 AromaticContact CD2-CH2 3.24Å; H206-W214 WeakPolarHBondContact CD2-CH2 3.43Å; H206-W214 AromaticContact CD2-CZ2 3.27Å; H206-W214 WeakPolarHBondContact CD2-CZ2 3.29Å; H206-W214 AromaticContact CD2-CZ3 3.52Å; H206-W214 AromaticContact CG-CE2 3.63Å; H206-W214 AromaticContact CG-CH2 3.94Å; H206-W214 AromaticContact CG-CZ2 3.48Å; H206-W214 VanDerWaalsContact CG-CZ2 3.48Å; H206-W214 PolarHBondContact N-O 3.1Å; H206-W214 AromaticContact NE2-CH2 3.41Å; H206-W214 WeakPolarHBondContact NE2-CH2 3.45Å; H206-W214 AromaticContact NE2-CZ2 3.74Å; H206-W214 AromaticContact NE2-CZ3 3.9Å; H206-W214 PolarHBondContact O-N 3.07Å; N207-W214 PolarHBondContact ND2-NE1 3.33Å; W214-E216 HydrophobicContact CE3-CB 4.22Å; W214-E216 HydrophobicContact CH2-CB 4.35Å; W214-E216 HydrophobicContact CZ3-CB 3.62Å; W214-E216 HydrophobicContact CZ3-CG 4.08Å
215	V	90.7	Very high	90.2	Very high	10 Å²	10	44.3 Å²	44.3	6%	0.061	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145	-172.7	-63.9	0	0	0	0	110.6	N114 L203 T204 L205 W305	N114-V215 WeakPolarHBondContact O-CG2 3.44Å; L203-V215 HydrophobicContact CD1-CB 4.09Å; T204-V215 WeakPolarHBondContact O-CA 3.3Å; L205-V215 HydrophobicContact CD2-CG1 3.52Å; V215-W305 HydrophobicContact CG2-CH2 4.39Å
216	E	91.3	Very high	90.6	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.019	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	141.4	178.1	-170	170.9	-130.8	0	0	110.4	L203 T204 H206 W214 T218 S239	L203-E216 CarbonylContact C-O 3.51Å; L203-E216 WeakPolarHBondContact CA-O 3.37Å; T204-E216 PolarHBondContact N-O 3.35Å; T204-E216 PolarHBondContact O-N 3.06Å; H206-E216 IonicContact CD2-OE2 3.6Å; H206-E216 IonicContact CE1-OE2 2.92Å; H206-E216 IonicContact NE2-OE2 2.83Å; H206-E216 PolarHBondContact NE2-OE2 3.26Å; W214-E216 HydrophobicContact CE3-CB 4.22Å; W214-E216 HydrophobicContact CH2-CB 4.35Å; W214-E216 HydrophobicContact CZ3-CB 3.62Å; W214-E216 HydrophobicContact CZ3-CG 4.08Å; E216-T218 HydrophobicContact CG-CG2 3.84Å; E216-S239 WeakPolarHBondContact OE1-CA 3.28Å; E216-S239 WeakPolarHBondContact OE1-CB 3.32Å; E216-S239 PolarHBondContact OE1-N 2.89Å; E216-S239 PolarHBondContact OE1-OG 3.13Å
217	H	95	Very high	90.9	Very high	7 Å²	7	46.5 Å²	46.5	3%	0.032	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	133.4	165.5	-80.4	-73.1	0	0	0	110.1	N114 V201 N202 L203 F236 W305	N114-H217 PolarHBondContact ND2-NE2 2.88Å; V201-H217 HydrophobicContact CG2-CB 3.95Å; N202-H217 VanDerWaalsContact O-CA 3.28Å; N202-H217 WeakPolarHBondContact O-CA 3.32Å; N202-H217 PolarHBondContact O-ND1 3.16Å; N202-H217 VanDerWaalsContact O-ND1 3.11Å; L203-H217 WeakPolarHBondContact CD1-NE2 3.14Å; H217-F236 HydrophobicContact CB-CD1 3.62Å; H217-F236 HydrophobicContact CB-CE1 4.16Å; H217-F236 HydrophobicContact CB-CG 4.48Å; H217-W305 HydrophobicContact CB-CD2 4.4Å; H217-W305 AromaticContact CD2-CD2 3.87Å; H217-W305 AromaticContact CD2-CE2 3.89Å; H217-W305 AromaticContact CD2-CE3 3.77Å; H217-W305 AromaticContact CD2-CH2 3.83Å; H217-W305 AromaticContact CD2-CZ2 3.9Å; H217-W305 AromaticContact CD2-CZ3 3.76Å
218	T	93.7	Very high	91.3	Very high	27 Å²	27	46.5 Å²	46.5	17%	0.166	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	144.9	-179.6	59.3	0	0	0	0	112.5	N202 E216	N202-T218 PolarHBondContact N-O 3.06Å; N202-T218 VanDerWaalsContact N-O 3.17Å; N202-T218 PolarHBondContact O-N 3.24Å; E216-T218 HydrophobicContact CG-CG2 3.84Å
219	G	95	Very high	92	Very high	30 Å²	30	45.9 Å²	45.9	31%	0.309	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	114.2	-171.1	175.6	0	0	0	0	0	113.8	F236	G219-F236 PolarHBondContact N-O 2.86Å; G219-F236 VanDerWaalsContact N-O 3.15Å; G219-F236 WeakPolarHBondContact O-CB 3.47Å; G219-F236 PolarHBondContact O-N 2.85Å
220	T	97.2	Very high	92.9	Very high	73 Å²	73	43.8 Å²	43.8	45%	0.448	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.4	-172.8	-48.1	0	0	0	0	111.4	Q233 E235	T220-Q233 HydrophobicContact CG2-CG 3.5Å; T220-E235 WeakPolarHBondContact CB-OE2 3.33Å; T220-E235 WeakPolarHBondContact CG2-OE1 3.39Å; T220-E235 VanDerWaalsContact OG1-CD 3.3Å; T220-E235 PolarHBondContact OG1-OE1 2.91Å; T220-E235 PolarHBondContact OG1-OE2 3.12Å
221	L	98.2	Very high	93.8	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	113.1	169.7	178.8	64	0	0	0	109	A107 V108 M111 W198 Q199 V201 I223 L234 F236	A107-L221 HydrophobicContact CB-CD2 4.08Å; V108-L221 HydrophobicContact CG2-CD2 4.2Å; M111-L221 HydrophobicContact CE-CD2 4.28Å; W198-L221 HydrophobicContact CB-CD1 4.05Å; W198-L221 HydrophobicContact CG-CD1 4.18Å; Q199-L221 WeakPolarHBondContact O-CD1 3.36Å; V201-L221 HydrophobicContact CG1-CB 3.79Å; L221-I223 HydrophobicContact CD2-CD1 3.95Å; L221-I223 HydrophobicContact CG-CD1 3.82Å; L221-I223 HydrophobicContact CG-CG1 4.39Å; L221-L234 HydrophobicContact CB-CB 4.31Å; L221-L234 HydrophobicContact CD2-CD1 4.3Å; L221-L234 PolarHBondContact N-O 3.05Å; L221-L234 PolarHBondContact O-N 3.33Å; L221-F236 HydrophobicContact CB-CD2 4.23Å; L221-F236 HydrophobicContact CB-CE2 3.68Å; L221-F236 HydrophobicContact CD2-CE2 3.9Å; L221-F236 HydrophobicContact CD2-CZ 4.21Å; L221-F236 HydrophobicContact CG-CE2 4.45Å
222	R	98.4	Very high	94.6	Very high	114 Å²	114	37.7 Å²	37.7	43%	0.43	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115.3	172.5	-172.4	174.3	-174.5	140.5	2.2	110.6	W198 C232	W198-R222 WeakPolarHBondContact CA-O 3.46Å; W198-R222 VanDerWaalsContact CB-O 3.32Å; W198-R222 WeakPolarHBondContact CB-O 3.27Å; R222-C232 WeakPolarHBondContact CA-O 3.47Å
223	I	98.8	Very high	95.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	129.6	169.5	-51.1	93.4	0	0	0	107.8	M100 V103 A107 Y196 W198 L221 Y231 C232 L234	M100-I223 HydrophobicContact CE-CB 3.69Å; M100-I223 HydrophobicContact CE-CG2 3.63Å; M100-I223 WeakPolarHBondContact CE-O 3.37Å; M100-I223 HydrophobicContact SD-CG2 4.23Å; V103-I223 HydrophobicContact CG1-CG2 4Å; A107-I223 HydrophobicContact CB-CG1 4.18Å; Y196-I223 HydrophobicContact CD1-CG2 4.43Å; W198-I223 HydrophobicContact CB-CB 4.45Å; W198-I223 HydrophobicContact CB-CG1 4.04Å; W198-I223 HydrophobicContact CE3-CG2 4.16Å; W198-I223 HydrophobicContact CG-CG1 4.37Å; L221-I223 HydrophobicContact CD2-CD1 3.95Å; L221-I223 HydrophobicContact CG-CD1 3.82Å; L221-I223 HydrophobicContact CG-CG1 4.39Å; I223-Y231 CarbonylContact O-C 3.56Å; I223-Y231 WeakPolarHBondContact O-CA 3.33Å; I223-Y231 WeakPolarHBondContact O-CB 3.42Å; I223-C232 HydrophobicContact CD1-CB 4.32Å; I223-C232 PolarHBondContact N-O 2.83Å; I223-C232 PolarHBondContact O-N 2.9Å; I223-L234 HydrophobicContact CD1-CD1 4.18Å
224	T	98.7	Very high	96	Very high	35 Å²	35	31 Å²	31	22%	0.215	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126.9	179.1	-58.6	0	0	0	0	109.7	Y196 T197	Y196-T224 CarbonylContact C-O 3.57Å; Y196-T224 WeakPolarHBondContact CA-O 3.48Å; T197-T224 PolarHBondContact N-O 2.66Å; T197-T224 PolarHBondContact O-N 3.06Å
225	N	98.3	Very high	96.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	110.5	165.7	-178.9	-38.9	0	0	0	108.8	M100 Y196 S227 L228 G229 L230	M100-N225 HydrophobicContact SD-CB 4.38Å; Y196-N225 HydrophobicContact CD1-CB 3.82Å; Y196-N225 HydrophobicContact CE1-CB 3.69Å; Y196-N225 VanDerWaalsContact CE1-ND2 3.31Å; Y196-N225 WeakPolarHBondContact CE1-ND2 3.19Å; Y196-N225 PolarHBondContact OH-ND2 3.19Å; N225-S227 PolarHBondContact OD1-N 2.92Å; N225-L228 PolarHBondContact OD1-N 3.1Å; N225-G229 CarbonylContact O-C 3.59Å; N225-G229 VanDerWaalsContact O-CA 3.23Å; N225-G229 WeakPolarHBondContact O-CA 3.32Å; N225-G229 PolarHBondContact O-N 2.85Å; N225-L230 HydrophobicContact CB-CB 4.16Å; N225-L230 HydrophobicContact CB-CD1 4.48Å; N225-L230 PolarHBondContact N-O 3.21Å
226	H	97	Very high	96.7	Very high	57 Å²	57	30.1 Å²	30.1	26%	0.264	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-19.8	-176.3	-64.5	-77.9	0	0	0	114	S195 T197 F585	S195-H226 PolarHBondContact O-N 3.36Å; T197-H226 WeakPolarHBondContact CG2-NE2 3.09Å; T197-H226 PolarHBondContact OG1-NE2 2.77Å; H226-F585 HydrophobicContact CB-CB 4.27Å; H226-F585 HydrophobicContact CB-CD1 3.44Å; H226-F585 VanDerWaalsContact CB-CD1 3.44Å; H226-F585 HydrophobicContact CB-CE1 3.85Å; H226-F585 HydrophobicContact CB-CG 3.85Å; H226-F585 AromaticContact CD2-CG 3.78Å; H226-F585 AromaticContact CG-CD1 3.74Å; H226-F585 AromaticContact CG-CG 3.63Å
227	S	95.3	Very high	96.7	Very high	59 Å²	59	32.1 Å²	32.1	41%	0.413	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-38.4	-178.1	-61.2	0	0	0	0	111.9	N193 E194 S195 N225	N193-S227 PolarHBondContact O-OG 2.53Å; E194-S227 WeakPolarHBondContact CA-OG 3.01Å; S195-S227 PolarHBondContact N-OG 2.98Å; N225-S227 PolarHBondContact OD1-N 2.92Å
228	L	95.6	Very high	96.3	Very high	56 Å²	56	35.4 Å²	35.4	29%	0.293	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-8	-175.9	-63.9	-179	0	0	0	113.6	P96 E194 N225 L230 P256	P96-L228 HydrophobicContact CB-CD1 3.49Å; P96-L228 VanDerWaalsContact CB-CD1 3.49Å; P96-L228 HydrophobicContact CG-CD1 4.32Å; E194-L228 WeakPolarHBondContact OE1-CD1 3.23Å; N225-L228 PolarHBondContact OD1-N 3.1Å; L228-L230 VanDerWaalsContact C-N 3.3Å; L228-L230 HydrophobicContact CB-CD1 3.18Å; L228-L230 HydrophobicContact CD1-CD1 3.88Å; L228-L230 HydrophobicContact CG-CD1 4.2Å; L228-L230 PolarHBondContact O-N 3.28Å; L228-P256 VanDerWaalsContact O-CG 3.25Å; L228-P256 WeakPolarHBondContact O-CG 3.22Å
229	G	94.7	Very high	95.6	Very high	8 Å²	8	35.4 Å²	35.4	8%	0.082	20%	0.196	C	C	.	.			trans	79.2	2.4	178.9	0	0	0	0	0	115.1	N225 Y295	N225-G229 CarbonylContact O-C 3.59Å; N225-G229 VanDerWaalsContact O-CA 3.23Å; N225-G229 WeakPolarHBondContact O-CA 3.32Å; N225-G229 PolarHBondContact O-N 2.85Å; G229-Y295 VanDerWaalsContact O-CE1 3.31Å; G229-Y295 WeakPolarHBondContact O-CE1 3.17Å
230	L	97.2	Very high	94.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.207	C	C	.	.			trans	-64.4	150.3	175.3	-61	82.1	0	0	0	110.3	P96 I97 M100 N225 L228 L253 Y254 A255 L259	P96-L230 HydrophobicContact CB-CD1 4.47Å; P96-L230 HydrophobicContact CB-CD2 4.39Å; I97-L230 HydrophobicContact CD1-CD2 3.65Å; M100-L230 HydrophobicContact CB-CD2 4.04Å; M100-L230 HydrophobicContact CG-CB 4.42Å; M100-L230 HydrophobicContact CG-CD2 4.42Å; N225-L230 HydrophobicContact CB-CB 4.16Å; N225-L230 HydrophobicContact CB-CD1 4.48Å; N225-L230 PolarHBondContact N-O 3.21Å; L228-L230 VanDerWaalsContact C-N 3.3Å; L228-L230 HydrophobicContact CB-CD1 3.18Å; L228-L230 HydrophobicContact CD1-CD1 3.88Å; L228-L230 HydrophobicContact CG-CD1 4.2Å; L228-L230 PolarHBondContact O-N 3.28Å; L230-L253 HydrophobicContact CD2-CD2 4.4Å; L230-Y254 WeakPolarHBondContact CA-O 3.37Å; L230-A255 HydrophobicContact CG-CB 4.37Å; L230-L259 HydrophobicContact CD1-CD2 3.6Å; L230-L259 HydrophobicContact CD2-CD2 4.44Å; L230-L259 HydrophobicContact CG-CD2 4.08Å
231	Y	98.2	Very high	92.7	Very high	33 Å²	33	44.6 Å²	44.6	13%	0.129	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	152.4	165.2	73.5	-85.4	0	0	0	111.1	I223 Q233 Y254 Y295	I223-Y231 CarbonylContact O-C 3.56Å; I223-Y231 WeakPolarHBondContact O-CA 3.33Å; I223-Y231 WeakPolarHBondContact O-CB 3.42Å; Y231-Q233 HydrophobicContact CE2-CB 4.49Å; Y231-Y254 HydrophobicContact CD2-CD2 4.38Å; Y231-Y254 VanDerWaalsContact CE1-CB 3.49Å; Y231-Y254 HydrophobicContact CE1-CD2 4.25Å; Y231-Y254 HydrophobicContact CE1-CG 4.01Å; Y231-Y254 AromaticContact CE2-CD2 3.56Å; Y231-Y254 HydrophobicContact CE2-CD2 3.56Å; Y231-Y254 HydrophobicContact CE2-CE2 4.27Å; Y231-Y254 HydrophobicContact CE2-CG 4.17Å; Y231-Y254 AromaticContact CZ-CD2 3.47Å; Y231-Y254 VanDerWaalsContact CZ-CD2 3.47Å; Y231-Y254 AromaticContact CZ-CG 3.63Å; Y231-Y254 PolarHBondContact N-O 3.45Å; Y231-Y254 VanDerWaalsContact N-O 3.08Å; Y231-Y254 PolarHBondContact O-N 3.26Å; Y231-Y254 WeakPolarHBondContact OH-CD2 3.4Å; Y231-Y295 HydrophobicContact CD1-CD1 4.08Å; Y231-Y295 AromaticContact CD1-CE1 3.84Å; Y231-Y295 HydrophobicContact CD1-CE1 3.84Å; Y231-Y295 AromaticContact CE1-CD1 3.66Å; Y231-Y295 HydrophobicContact CE1-CD1 3.66Å; Y231-Y295 HydrophobicContact CE1-CD2 4.47Å; Y231-Y295 AromaticContact CE1-CE1 3.8Å; Y231-Y295 HydrophobicContact CE1-CE1 3.8Å; Y231-Y295 HydrophobicContact CE1-CG 4.02Å
232	C	98.7	Very high	91	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	129.1	172.6	-176.7	0	0	0	0	107.8	M100 S104 R222 I223 E252 L253	M100-C232 HydrophobicContact CE-CB 3.6Å; M100-C232 HydrophobicContact CG-CB 4.44Å; S104-C232 VanDerWaalsContact OG-CB 3.28Å; S104-C232 WeakPolarHBondContact OG-CB 3.33Å; S104-C232 PolarHBondContact OG-SG 2.93Å; S104-C232 VanDerWaalsContact OG-SG 3.33Å; R222-C232 WeakPolarHBondContact CA-O 3.47Å; I223-C232 HydrophobicContact CD1-CB 4.32Å; I223-C232 PolarHBondContact N-O 2.83Å; I223-C232 PolarHBondContact O-N 2.9Å; C232-E252 CarbonylContact C-O 3.58Å; C232-E252 VanDerWaalsContact CA-O 3.3Å; C232-E252 WeakPolarHBondContact CA-O 3.44Å; C232-E252 PolarHBondContact SG-O 3.18Å; C232-L253 HydrophobicContact CB-CB 4.44Å; C232-L253 HydrophobicContact CB-CG 4.36Å
233	Q	98.5	Very high	89.1	Confident	66 Å²	66	43.1 Å²	43.1	31%	0.308	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.6	176.9	-176	171.1	-45.7	0	0	108.6	T220 Y231 E235 G251 E252	T220-Q233 HydrophobicContact CG2-CG 3.5Å; Y231-Q233 HydrophobicContact CE2-CB 4.49Å; Q233-E235 PolarHBondContact NE2-OE1 3.2Å; Q233-G251 CarbonylContact O-C 3.59Å; Q233-G251 WeakPolarHBondContact O-CA 3.46Å; Q233-E252 PolarHBondContact N-O 2.88Å; Q233-E252 PolarHBondContact O-N 2.82Å
234	L	98.2	Very high	87.3	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.3	-179.5	-58	177.1	0	0	0	109.5	V108 L221 I223 F236 V249 I301	V108-L234 HydrophobicContact CG2-CD1 3.5Å; V108-L234 VanDerWaalsContact CG2-CD1 3.5Å; L221-L234 HydrophobicContact CB-CB 4.31Å; L221-L234 HydrophobicContact CD2-CD1 4.3Å; L221-L234 PolarHBondContact N-O 3.05Å; L221-L234 PolarHBondContact O-N 3.33Å; I223-L234 HydrophobicContact CD1-CD1 4.18Å; L234-F236 HydrophobicContact CB-CE2 4.4Å; L234-V249 HydrophobicContact CB-CG1 3.98Å; L234-V249 HydrophobicContact CD1-CG1 4.46Å; L234-I301 HydrophobicContact CD2-CB 3.79Å; L234-I301 HydrophobicContact CD2-CG2 3.78Å
235	E	96.9	Very high	85.6	Confident	57 Å²	57	47 Å²	47	27%	0.266	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	123.3	174.8	-60.1	-56.7	155.3	0	0	110	T220 Q233 H237 V249 T250	T220-E235 WeakPolarHBondContact CB-OE2 3.33Å; T220-E235 WeakPolarHBondContact CG2-OE1 3.39Å; T220-E235 VanDerWaalsContact OG1-CD 3.3Å; T220-E235 PolarHBondContact OG1-OE1 2.91Å; T220-E235 PolarHBondContact OG1-OE2 3.12Å; Q233-E235 PolarHBondContact NE2-OE1 3.2Å; E235-H237 PolarHBondContact O-CD2 2.68Å; E235-V249 WeakPolarHBondContact O-CA 3.31Å; E235-T250 PolarHBondContact N-O 2.86Å; E235-T250 PolarHBondContact O-N 3.33Å; E235-T250 VanDerWaalsContact O-N 3.1Å
236	F	95.3	Very high	84.7	Confident	7 Å²	7	49 Å²	49	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	106.8	170.3	-72.3	-113.7	0	0	0	107.8	V108 M111 V201 H217 G219 L221 L234 V249 W305	V108-F236 HydrophobicContact CG1-CZ 4.3Å; V108-F236 HydrophobicContact CG2-CZ 4.07Å; M111-F236 HydrophobicContact CE-CE1 3.75Å; M111-F236 HydrophobicContact CE-CE2 4.27Å; M111-F236 HydrophobicContact CE-CZ 3.37Å; V201-F236 HydrophobicContact CB-CD2 4.47Å; V201-F236 HydrophobicContact CG1-CD2 3.84Å; V201-F236 HydrophobicContact CG1-CE2 4.18Å; V201-F236 HydrophobicContact CG1-CG 4.38Å; V201-F236 HydrophobicContact CG2-CB 4.49Å; V201-F236 HydrophobicContact CG2-CD1 3.94Å; V201-F236 HydrophobicContact CG2-CD2 4.01Å; V201-F236 HydrophobicContact CG2-CE1 4.09Å; V201-F236 HydrophobicContact CG2-CE2 4.21Å; V201-F236 HydrophobicContact CG2-CG 3.9Å; V201-F236 HydrophobicContact CG2-CZ 4.24Å; H217-F236 HydrophobicContact CB-CD1 3.62Å; H217-F236 HydrophobicContact CB-CE1 4.16Å; H217-F236 HydrophobicContact CB-CG 4.48Å; G219-F236 PolarHBondContact N-O 2.86Å; G219-F236 VanDerWaalsContact N-O 3.15Å; G219-F236 WeakPolarHBondContact O-CB 3.47Å; G219-F236 PolarHBondContact O-N 2.85Å; L221-F236 HydrophobicContact CB-CD2 4.23Å; L221-F236 HydrophobicContact CB-CE2 3.68Å; L221-F236 HydrophobicContact CD2-CE2 3.9Å; L221-F236 HydrophobicContact CD2-CZ 4.21Å; L221-F236 HydrophobicContact CG-CE2 4.45Å; L234-F236 HydrophobicContact CB-CE2 4.4Å; F236-V249 HydrophobicContact CD1-CG2 3.7Å; F236-V249 HydrophobicContact CD2-CG1 4.47Å; F236-V249 HydrophobicContact CD2-CG2 4.39Å; F236-V249 HydrophobicContact CE1-CG2 3.69Å; F236-V249 HydrophobicContact CE2-CG1 4.25Å; F236-V249 HydrophobicContact CE2-CG2 4.34Å; F236-V249 HydrophobicContact CG-CG2 4.07Å; F236-V249 HydrophobicContact CZ-CG1 4.48Å; F236-V249 HydrophobicContact CZ-CG2 4.01Å; F236-W305 HydrophobicContact CD1-CB 4.17Å; F236-W305 AromaticContact CD1-CD1 3.82Å; F236-W305 HydrophobicContact CD1-CG 4.13Å; F236-W305 HydrophobicContact CE1-CB 3.58Å; F236-W305 AromaticContact CE1-CG 3.96Å; F236-W305 HydrophobicContact CE1-CG 3.96Å
237	H	91.4	Very high	84.4	Confident	45 Å²	45	47.3 Å²	47.3	21%	0.208	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-80.4	139.2	-171.6	-63.4	-100.7	0	0	0	110.8	E235 R248 T250	E235-H237 PolarHBondContact O-CD2 2.68Å; H237-R248 HydrophobicContact CB-CB 4.18Å; H237-R248 HydrophobicContact CB-CG 4.41Å; H237-R248 PolarHBondContact CD2-NE 2.77Å; H237-R248 PolarHBondContact CD2-O 3.02Å; H237-R248 PolarHBondContact CE1-NH2 2.64Å; H237-R248 VanDerWaalsContact CG-NE 3.27Å; H237-R248 PolarHBondContact N-O 2.81Å; H237-R248 PolarHBondContact ND1-NH2 3.06Å; H237-T250 PolarHBondContact NE2-OG1 2.84Å
238	S	86.9	Confident	84.2	Confident	76 Å²	76	48.1 Å²	48.1	53%	0.531	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-68.2	141	166.7	55.8	0	0	0	0	110.6
239	S	79	Confident	84.1	Confident	27 Å²	27	45.4 Å²	45.4	19%	0.189	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-64.7	132.8	175.1	-59	0	0	0	0	110	E216 C246	E216-S239 WeakPolarHBondContact OE1-CA 3.28Å; E216-S239 WeakPolarHBondContact OE1-CB 3.32Å; E216-S239 PolarHBondContact OE1-N 2.89Å; E216-S239 PolarHBondContact OE1-OG 3.13Å; S239-C246 WeakPolarHBondContact OG-CA 3.39Å; S239-C246 PolarHBondContact OG-SG 2.85Å
240	N	70.4	Confident	84.1	Confident	99 Å²	99	46.3 Å²	46.3	53%	0.529	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-71.5	159.8	170.8	-71.1	-15.6	0	0	0	110.4	S242 G243	N240-S242 PolarHBondContact O-N 3.46Å; N240-S242 VanDerWaalsContact O-N 3.08Å; N240-G243 PolarHBondContact O-N 2.9Å
241	W	60.8	Low	84	Confident	197 Å²	197	46.7 Å²	46.7	75%	0.746	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-27.9	-179.9	84.1	-88.6	0	0	0	113.2	G243	W241-G243 PolarHBondContact O-N 3.48Å
242	S	63.1	Low	84	Confident	52 Å²	52	48.7 Å²	48.7	36%	0.364	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	6.6	177.1	61.2	0	0	0	0	114.1	N240 H244	N240-S242 PolarHBondContact O-N 3.46Å; N240-S242 VanDerWaalsContact O-N 3.08Å; S242-H244 PolarHBondContact O-N 3.16Å; S242-H244 PolarHBondContact O-ND1 2.86Å; S242-H244 VanDerWaalsContact O-ND1 3.09Å
243	G	58.9	Low	84	Confident	31 Å²	31	48.7 Å²	48.7	32%	0.32	26%	0.256	S	S	.	.			trans	70.6	-9.4	-178.3	0	0	0	0	0	115.1	N240 W241 G245 C246	N240-G243 PolarHBondContact O-N 2.9Å; W241-G243 PolarHBondContact O-N 3.48Å; G243-G245 PolarHBondContact O-N 2.88Å; G243-C246 PolarHBondContact O-N 2.96Å
244	H	59.2	Low	83.9	Confident	106 Å²	106	47.8 Å²	47.8	49%	0.491	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	131.7	179.4	-77.6	59.6	0	0	0	110.9	S242 L351	S242-H244 PolarHBondContact O-N 3.16Å; S242-H244 PolarHBondContact O-ND1 2.86Å; S242-H244 VanDerWaalsContact O-ND1 3.09Å; H244-L351 VanDerWaalsContact CE1-CD2 3.45Å; H244-L351 WeakPolarHBondContact CE1-CD2 3.5Å
245	G	64.5	Low	83.8	Confident	12 Å²	12	47.8 Å²	47.8	12%	0.124	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	20.1	-179.7	0	0	0	0	0	114.4	G243 N247 R248	G243-G245 PolarHBondContact O-N 2.88Å; G245-N247 PolarHBondContact O-N 3.13Å; G245-R248 WeakPolarHBondContact O-CB 3.41Å; G245-R248 PolarHBondContact O-N 3.17Å; G245-R248 VanDerWaalsContact O-N 3.13Å
246	C	79.6	Confident	83.7	Confident	40 Å²	40	45.5 Å²	45.5	27%	0.27	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	134.7	174.3	-169.5	0	0	0	0	111	S239 G243 R248 N304	S239-C246 WeakPolarHBondContact OG-CA 3.39Å; S239-C246 PolarHBondContact OG-SG 2.85Å; G243-C246 PolarHBondContact O-N 2.96Å; C246-R248 PolarHBondContact O-N 3.03Å; C246-R248 VanDerWaalsContact O-N 3.11Å; C246-N304 PolarHBondContact O-ND2 3.18Å
247	N	89.7	Confident	83.4	Confident	22 Å²	22	46.7 Å²	46.7	12%	0.118	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	17	179.9	-57	-31.5	0	0	0	115.2	G245 V249 N304 W305 S306	G245-N247 PolarHBondContact O-N 3.13Å; N247-V249 PolarHBondContact O-N 2.96Å; N247-N304 WeakPolarHBondContact CB-OD1 3.48Å; N247-N304 VanDerWaalsContact O-CA 3.3Å; N247-N304 WeakPolarHBondContact O-CA 3.49Å; N247-W305 VanDerWaalsContact CA-NE1 3.32Å; N247-W305 HydrophobicContact CB-CD2 4.39Å; N247-W305 HydrophobicContact CB-CG 4.27Å; N247-W305 HydrophobicContact CB-CZ2 4.34Å; N247-W305 PolarHBondContact O-N 3.44Å; N247-W305 VanDerWaalsContact O-N 3.09Å; N247-W305 VanDerWaalsContact OD1-CE2 3.27Å; N247-W305 WeakPolarHBondContact OD1-CZ2 3.42Å; N247-W305 PolarHBondContact OD1-NE1 3.17Å; N247-W305 VanDerWaalsContact OD1-NE1 3.08Å; N247-S306 PolarHBondContact ND2-OG 3.14Å
248	R	91.8	Very high	83.1	Confident	76 Å²	76	47.4 Å²	47.4	29%	0.287	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	133.9	-178.8	173.8	172.2	80	175.7	8.6	111.6	H237 G245 C246 T250 Y354	H237-R248 HydrophobicContact CB-CB 4.18Å; H237-R248 HydrophobicContact CB-CG 4.41Å; H237-R248 PolarHBondContact CD2-NE 2.77Å; H237-R248 PolarHBondContact CD2-O 3.02Å; H237-R248 PolarHBondContact CE1-NH2 2.64Å; H237-R248 VanDerWaalsContact CG-NE 3.27Å; H237-R248 PolarHBondContact N-O 2.81Å; H237-R248 PolarHBondContact ND1-NH2 3.06Å; G245-R248 WeakPolarHBondContact O-CB 3.41Å; G245-R248 PolarHBondContact O-N 3.17Å; G245-R248 VanDerWaalsContact O-N 3.13Å; C246-R248 PolarHBondContact O-N 3.03Å; C246-R248 VanDerWaalsContact O-N 3.11Å; R248-T250 HydrophobicContact CG-CG2 4.05Å; R248-Y354 HydrophobicContact CB-CD1 3.91Å; R248-Y354 HydrophobicContact CB-CE1 4.29Å; R248-Y354 HydrophobicContact CB-CG 4.31Å; R248-Y354 HydrophobicContact CG-CD1 3.48Å; R248-Y354 VanDerWaalsContact CG-CD1 3.48Å; R248-Y354 HydrophobicContact CG-CE1 3.35Å; R248-Y354 HydrophobicContact CG-CG 4.16Å
249	V	93.6	Very high	82.9	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.5	167.8	-177.1	0	0	0	0	108.7	L234 E235 F236 N247 F302 G303 W305 L309	L234-V249 HydrophobicContact CB-CG1 3.98Å; L234-V249 HydrophobicContact CD1-CG1 4.46Å; E235-V249 WeakPolarHBondContact O-CA 3.31Å; F236-V249 HydrophobicContact CD1-CG2 3.7Å; F236-V249 HydrophobicContact CD2-CG1 4.47Å; F236-V249 HydrophobicContact CD2-CG2 4.39Å; F236-V249 HydrophobicContact CE1-CG2 3.69Å; F236-V249 HydrophobicContact CE2-CG1 4.25Å; F236-V249 HydrophobicContact CE2-CG2 4.34Å; F236-V249 HydrophobicContact CG-CG2 4.07Å; F236-V249 HydrophobicContact CZ-CG1 4.48Å; F236-V249 HydrophobicContact CZ-CG2 4.01Å; N247-V249 PolarHBondContact O-N 2.96Å; V249-F302 CarbonylContact O-C 3.15Å; V249-F302 VanDerWaalsContact O-CA 3.27Å; V249-F302 WeakPolarHBondContact O-CA 3.21Å; V249-G303 PolarHBondContact N-O 3.24Å; V249-G303 PolarHBondContact O-N 2.67Å; V249-W305 HydrophobicContact CG2-CB 3.75Å; V249-W305 HydrophobicContact CG2-CG 4.42Å; V249-L309 HydrophobicContact CB-CD1 4.37Å; V249-L309 HydrophobicContact CG1-CD1 4.29Å
250	T	93.8	Very high	82.7	Confident	26 Å²	26	45.2 Å²	45.2	16%	0.16	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	151.1	169.6	64.7	0	0	0	0	109.8	E235 H237 R248 I301 F302 W317 Y354	E235-T250 PolarHBondContact N-O 2.86Å; E235-T250 PolarHBondContact O-N 3.33Å; E235-T250 VanDerWaalsContact O-N 3.1Å; H237-T250 PolarHBondContact NE2-OG1 2.84Å; R248-T250 HydrophobicContact CG-CG2 4.05Å; T250-I301 CarbonylContact C-O 3.51Å; T250-I301 VanDerWaalsContact CA-O 3.32Å; T250-I301 WeakPolarHBondContact CA-O 3.45Å; T250-F302 HydrophobicContact CG2-CB 4.24Å; T250-W317 HydrophobicContact CG2-CH2 4.42Å; T250-Y354 HydrophobicContact CG2-CE1 4.2Å
251	G	95.9	Very high	82.9	Confident	9 Å²	9	47.7 Å²	47.7	9%	0.093	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.4	-169.5	175.5	0	0	0	0	0	114	Q233 I300 I301	Q233-G251 CarbonylContact O-C 3.59Å; Q233-G251 WeakPolarHBondContact O-CA 3.46Å; G251-I300 WeakPolarHBondContact O-CA 3.21Å; G251-I301 PolarHBondContact N-O 2.72Å; G251-I301 PolarHBondContact O-N 2.73Å
252	E	98	Very high	83.4	Confident	75 Å²	75	43.3 Å²	43.3	35%	0.35	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	139.2	-159.9	-67.3	175.2	163.1	0	0	109.9	C232 Q233 Y254 L297 I300	C232-E252 CarbonylContact C-O 3.58Å; C232-E252 VanDerWaalsContact CA-O 3.3Å; C232-E252 WeakPolarHBondContact CA-O 3.44Å; C232-E252 PolarHBondContact SG-O 3.18Å; Q233-E252 PolarHBondContact N-O 2.88Å; Q233-E252 PolarHBondContact O-N 2.82Å; E252-Y254 HydrophobicContact CB-CD2 4.12Å; E252-Y254 HydrophobicContact CB-CE2 3.41Å; E252-Y254 VanDerWaalsContact CB-CE2 3.41Å; E252-Y254 HydrophobicContact CG-CE2 4.37Å; E252-Y254 VanDerWaalsContact OE2-CE2 3.3Å; E252-Y254 WeakPolarHBondContact OE2-CE2 3.35Å; E252-Y254 VanDerWaalsContact OE2-CZ 3.28Å; E252-Y254 PolarHBondContact OE2-OH 3.38Å; E252-L297 HydrophobicContact CB-CD1 3.67Å; E252-L297 HydrophobicContact CG-CD1 3.95Å; E252-I300 HydrophobicContact CG-CD1 3.74Å
253	L	98.2	Very high	84	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	123.1	175.2	-171.1	165.7	0	0	0	109.1	I97 M100 E101 L230 C232 K298 R299 I301	I97-L253 HydrophobicContact CD1-CD2 4.24Å; I97-L253 HydrophobicContact CG2-CD1 4.39Å; I97-L253 HydrophobicContact CG2-CD2 4.09Å; M100-L253 HydrophobicContact CB-CD1 3.89Å; M100-L253 HydrophobicContact CB-CG 4.5Å; M100-L253 HydrophobicContact CG-CD1 3.75Å; M100-L253 HydrophobicContact CG-CD2 4.47Å; M100-L253 HydrophobicContact CG-CG 3.98Å; E101-L253 HydrophobicContact CG-CD1 3.71Å; L230-L253 HydrophobicContact CD2-CD2 4.4Å; C232-L253 HydrophobicContact CB-CB 4.44Å; C232-L253 HydrophobicContact CB-CG 4.36Å; L253-K298 HydrophobicContact CD2-CB 4.11Å; L253-K298 PolarHBondContact O-N 2.85Å; L253-R299 HydrophobicContact CB-CB 4.1Å; L253-R299 PolarHBondContact N-O 3.24Å; L253-R299 PolarHBondContact O-N 2.67Å; L253-I301 HydrophobicContact CD1-CD1 4.46Å
254	Y	97.6	Very high	84.4	Confident	46 Å²	46	45.1 Å²	45.1	18%	0.18	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	140.6	-178.6	-69.4	-88.4	0	0	0	111.6	L230 Y231 E252 V296 L297	L230-Y254 WeakPolarHBondContact CA-O 3.37Å; Y231-Y254 HydrophobicContact CD2-CD2 4.38Å; Y231-Y254 VanDerWaalsContact CE1-CB 3.49Å; Y231-Y254 HydrophobicContact CE1-CD2 4.25Å; Y231-Y254 HydrophobicContact CE1-CG 4.01Å; Y231-Y254 AromaticContact CE2-CD2 3.56Å; Y231-Y254 HydrophobicContact CE2-CD2 3.56Å; Y231-Y254 HydrophobicContact CE2-CE2 4.27Å; Y231-Y254 HydrophobicContact CE2-CG 4.17Å; Y231-Y254 AromaticContact CZ-CD2 3.47Å; Y231-Y254 VanDerWaalsContact CZ-CD2 3.47Å; Y231-Y254 AromaticContact CZ-CG 3.63Å; Y231-Y254 PolarHBondContact N-O 3.45Å; Y231-Y254 VanDerWaalsContact N-O 3.08Å; Y231-Y254 PolarHBondContact O-N 3.26Å; Y231-Y254 WeakPolarHBondContact OH-CD2 3.4Å; E252-Y254 HydrophobicContact CB-CD2 4.12Å; E252-Y254 HydrophobicContact CB-CE2 3.41Å; E252-Y254 VanDerWaalsContact CB-CE2 3.41Å; E252-Y254 HydrophobicContact CG-CE2 4.37Å; E252-Y254 VanDerWaalsContact OE2-CE2 3.3Å; E252-Y254 WeakPolarHBondContact OE2-CE2 3.35Å; E252-Y254 VanDerWaalsContact OE2-CZ 3.28Å; E252-Y254 PolarHBondContact OE2-OH 3.38Å; Y254-V296 WeakPolarHBondContact CA-O 3.45Å; Y254-L297 HydrophobicContact CD1-CB 4.16Å; Y254-L297 HydrophobicContact CD1-CD1 4.48Å; Y254-L297 HydrophobicContact CE1-CB 3.76Å; Y254-L297 HydrophobicContact CE1-CD1 4.06Å; Y254-L297 HydrophobicContact CE1-CG 4.48Å; Y254-L297 HydrophobicContact CE2-CD1 4.21Å
255	A	96.1	Very high	84.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	146	170.3	0	0	0	0	0	110.2	I97 L230 L259 Y295 V296 K298	I97-A255 HydrophobicContact CD1-CB 3.8Å; L230-A255 HydrophobicContact CG-CB 4.37Å; A255-L259 HydrophobicContact CB-CD2 4.42Å; A255-Y295 CarbonylContact O-C 3.54Å; A255-Y295 WeakPolarHBondContact O-CA 3.04Å; A255-V296 PolarHBondContact N-O 3.45Å; A255-V296 PolarHBondContact O-N 3.05Å; A255-K298 HydrophobicContact CB-CD 4.24Å; A255-K298 HydrophobicContact CB-CG 3.72Å
256	P	93.9	Very high	84.6	Confident	10 Å²	10	47.3 Å²	47.3	7%	0.065	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	140.3	174	26.6	-30.9	0	0	0	110.1	L228 T258 L259 D260 S294 Y295	L228-P256 VanDerWaalsContact O-CG 3.25Å; L228-P256 WeakPolarHBondContact O-CG 3.22Å; P256-T258 PolarHBondContact O-N 2.98Å; P256-L259 HydrophobicContact CG-CB 3.97Å; P256-L259 WeakPolarHBondContact O-CB 3.14Å; P256-L259 PolarHBondContact O-N 3.04Å; P256-D260 PolarHBondContact O-N 3.12Å; P256-S294 CarbonylContact C-O 3.6Å; P256-S294 WeakPolarHBondContact CA-O 3.42Å; P256-Y295 HydrophobicContact CB-CD1 4.34Å; P256-Y295 HydrophobicContact CB-CE1 4.04Å
257	S	88.8	Confident	83.6	Confident	32 Å²	32	48.4 Å²	48.4	22%	0.224	27%	0.271	C	S	.	.	H	α-helix	trans	-58.7	-22.3	-177.3	-48.2	0	0	0	0	113.1	K261 S294	S257-K261 WeakPolarHBondContact O-CG 3.15Å; S257-K261 PolarHBondContact O-N 2.83Å; S257-S294 PolarHBondContact N-O 3.02Å; S257-S294 VanDerWaalsContact OG-C 3.25Å; S257-S294 PolarHBondContact OG-O 3.39Å; S257-S294 VanDerWaalsContact OG-O 3.07Å
258	T	85	Confident	82	Confident	60 Å²	60	50.5 Å²	50.5	37%	0.368	29%	0.287	S	S	.	.	H	α-helix	trans	-67.9	-38	173.4	47	0	0	0	0	112.7	P256 K261 M262 I287	P256-T258 PolarHBondContact O-N 2.98Å; T258-K261 PolarHBondContact O-N 3.23Å; T258-M262 WeakPolarHBondContact O-CG 3.45Å; T258-M262 PolarHBondContact O-N 3.43Å; T258-M262 VanDerWaalsContact O-N 3.13Å; T258-I287 HydrophobicContact CG2-CG2 4.45Å
259	L	83.3	Confident	80.1	Confident	19 Å²	19	52.4 Å²	52.4	10%	0.099	30%	0.304	C	S	.	.	H	α-helix	trans	-67.3	-42.1	177.2	-177.4	64.7	0	0	0	110.8	P96 L230 A255 P256 K261 M262 Q263	P96-L259 HydrophobicContact CG-CD2 4.27Å; L230-L259 HydrophobicContact CD1-CD2 3.6Å; L230-L259 HydrophobicContact CD2-CD2 4.44Å; L230-L259 HydrophobicContact CG-CD2 4.08Å; A255-L259 HydrophobicContact CB-CD2 4.42Å; P256-L259 HydrophobicContact CG-CB 3.97Å; P256-L259 WeakPolarHBondContact O-CB 3.14Å; P256-L259 PolarHBondContact O-N 3.04Å; L259-K261 VanDerWaalsContact C-N 3.29Å; L259-K261 PolarHBondContact O-N 3.45Å; L259-M262 PolarHBondContact O-N 3.37Å; L259-M262 VanDerWaalsContact O-N 3.1Å; L259-Q263 PolarHBondContact O-N 2.8Å
260	D	74.3	Confident	78.1	Confident	37 Å²	37	58.3 Å²	58.3	20%	0.198	34%	0.34	C	S	.	.	H	α-helix	trans	-58.2	-42.9	175.7	-102.2	-1	0	0	0	111.4	P256 M262 Q263 A264 K298	P256-D260 PolarHBondContact O-N 3.12Å; D260-M262 PolarHBondContact O-N 3.07Å; D260-Q263 PolarHBondContact O-N 3.26Å; D260-A264 WeakPolarHBondContact O-CB 3.46Å; D260-A264 PolarHBondContact O-N 2.76Å; D260-K298 VanDerWaalsContact CG-NZ 3.32Å; D260-K298 IonicContact OD1-NZ 3.75Å; D260-K298 PolarHBondContact OD1-NZ 2.67Å; D260-K298 IonicContact OD2-NZ 2.65Å; D260-K298 PolarHBondContact OD2-NZ 2.73Å; D260-K298 VanDerWaalsContact OD2-NZ 3.14Å
261	K	73.8	Confident	75.8	Confident	152 Å²	152	60.9 Å²	60.9	66%	0.661	36%	0.359	S	S	*	.	H	α-helix	trans	-61.9	-41.7	175.1	-70.6	174.8	-175.7	-177.6	0	112.1	S257 T258 L259 V265	S257-K261 WeakPolarHBondContact O-CG 3.15Å; S257-K261 PolarHBondContact O-N 2.83Å; T258-K261 PolarHBondContact O-N 3.23Å; L259-K261 VanDerWaalsContact C-N 3.29Å; L259-K261 PolarHBondContact O-N 3.45Å; K261-V265 VanDerWaalsContact O-CG2 3.31Å; K261-V265 WeakPolarHBondContact O-CG2 3.41Å; K261-V265 PolarHBondContact O-N 2.88Å; K261-V265 VanDerWaalsContact O-N 3.16Å
262	M	72.8	Confident	72.9	Confident	105 Å²	105	68.5 Å²	68.5	52%	0.517	39%	0.391	S	S	.	.	H	α-helix	trans	-67	-39.7	177.9	-69.9	-178.5	-175.2	0	0	112.5	T258 L259 D260 S266	T258-M262 WeakPolarHBondContact O-CG 3.45Å; T258-M262 PolarHBondContact O-N 3.43Å; T258-M262 VanDerWaalsContact O-N 3.13Å; L259-M262 PolarHBondContact O-N 3.37Å; L259-M262 VanDerWaalsContact O-N 3.1Å; D260-M262 PolarHBondContact O-N 3.07Å; M262-S266 PolarHBondContact O-N 3.18Å; M262-S266 VanDerWaalsContact O-N 3.11Å; M262-S266 PolarHBondContact O-OG 3.11Å
263	Q	75.2	Confident	69.7	Low	58 Å²	58	73.9 Å²	73.9	27%	0.271	42%	0.416	S	S	.	.	H	α-helix	trans	-67.7	-40	176.8	-72.3	-175.2	-51.8	0	0	111.7	P96 L259 D260 S266 A267	P96-Q263 VanDerWaalsContact CG-NE2 3.33Å; L259-Q263 PolarHBondContact O-N 2.8Å; D260-Q263 PolarHBondContact O-N 3.26Å; Q263-S266 PolarHBondContact O-N 3.13Å; Q263-A267 PolarHBondContact O-N 3.18Å
264	A	68.2	Low	66.5	Low	63 Å²	63	79.6 Å²	79.6	52%	0.521	45%	0.451	S	S	.	.	H	α-helix	trans	-61.8	-44	176.4	0	0	0	0	0	112.5	D260 S266 A267 S268	D260-A264 WeakPolarHBondContact O-CB 3.46Å; D260-A264 PolarHBondContact O-N 2.76Å; A264-S266 VanDerWaalsContact C-N 3.31Å; A264-S266 PolarHBondContact O-N 2.85Å; A264-A267 PolarHBondContact O-N 2.81Å; A264-S268 PolarHBondContact O-N 3.38Å; A264-S268 VanDerWaalsContact O-N 3.09Å; A264-S268 PolarHBondContact O-OG 3.47Å
265	V	63.1	Low	63.3	Low	85 Å²	85	83.4 Å²	83.4	52%	0.515	48%	0.48	S	S	.	.	H	α-helix	trans	-64.5	-37.1	176.5	173	0	0	0	0	111.6	K261 S268 N269	K261-V265 VanDerWaalsContact O-CG2 3.31Å; K261-V265 WeakPolarHBondContact O-CG2 3.41Å; K261-V265 PolarHBondContact O-N 2.88Å; K261-V265 VanDerWaalsContact O-N 3.16Å; V265-S268 WeakPolarHBondContact CA-OG 3.35Å; V265-S268 PolarHBondContact O-OG 3.5Å; V265-N269 VanDerWaalsContact O-CG 3.29Å; V265-N269 PolarHBondContact O-N 2.84Å; V265-N269 PolarHBondContact O-ND2 2.91Å
266	S	63.6	Low	60.1	Low	78 Å²	78	89 Å²	89	55%	0.545	52%	0.519	S	S	.	.	H	α-helix	trans	-68	-39.3	177.2	-57.3	0	0	0	0	111.7	M262 Q263 A264 N269 T270	M262-S266 PolarHBondContact O-N 3.18Å; M262-S266 VanDerWaalsContact O-N 3.11Å; M262-S266 PolarHBondContact O-OG 3.11Å; Q263-S266 PolarHBondContact O-N 3.13Å; A264-S266 VanDerWaalsContact C-N 3.31Å; A264-S266 PolarHBondContact O-N 2.85Å; S266-N269 PolarHBondContact O-N 2.65Å; S266-T270 PolarHBondContact O-OG1 3.31Å
267	A	59.8	Low	57.1	Low	63 Å²	63	96.1 Å²	96.1	52%	0.521	56%	0.556	S	S	.	*	H	α-helix	trans	-66.4	-39.8	177.6	0	0	0	0	0	112.5	Q263 A264 N269 T270	Q263-A267 PolarHBondContact O-N 3.18Å; A264-A267 PolarHBondContact O-N 2.81Å; A267-N269 VanDerWaalsContact C-N 3.29Å; A267-N269 PolarHBondContact O-N 3.35Å; A267-T270 PolarHBondContact O-N 3Å; A267-T270 PolarHBondContact O-OG1 2.62Å
268	S	54.8	Low	54.2	Low	66 Å²	66	100.9 Å²	100.9	46%	0.462	58%	0.584	S	S	.	*	H	α-helix	trans	-69	-25	177.1	57.2	0	0	0	0	113.7	A264 V265 T270 S271	A264-S268 PolarHBondContact O-N 3.38Å; A264-S268 VanDerWaalsContact O-N 3.09Å; A264-S268 PolarHBondContact O-OG 3.47Å; V265-S268 WeakPolarHBondContact CA-OG 3.35Å; V265-S268 PolarHBondContact O-OG 3.5Å; S268-T270 VanDerWaalsContact C-N 3.34Å; S268-S271 PolarHBondContact O-OG 3.35Å
269	N	51.3	Low	51.5	Low	117 Å²	117	102.9 Å²	102.9	63%	0.626	60%	0.597	S	S	*	*	H	α-helix	trans	-80.8	-14.5	178	-72.8	-14.9	0	0	0	113.2	V265 S266 A267 S271	V265-N269 VanDerWaalsContact O-CG 3.29Å; V265-N269 PolarHBondContact O-N 2.84Å; V265-N269 PolarHBondContact O-ND2 2.91Å; S266-N269 PolarHBondContact O-N 2.65Å; A267-N269 VanDerWaalsContact C-N 3.29Å; A267-N269 PolarHBondContact O-N 3.35Å; N269-S271 VanDerWaalsContact C-N 3.29Å; N269-S271 PolarHBondContact O-N 2.95Å
270	T	52	Low	48.9	Very low	124 Å²	124	110.2 Å²	110.2	76%	0.761	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-6.7	175.1	7.9	0	0	0	0	114.3	S266 A267 S268	S266-T270 PolarHBondContact O-OG1 3.31Å; A267-T270 PolarHBondContact O-N 3Å; A267-T270 PolarHBondContact O-OG1 2.62Å; S268-T270 VanDerWaalsContact C-N 3.34Å
271	S	45.5	Very low	46.7	Very low	80 Å²	80	114.3 Å²	114.3	56%	0.559	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	5.2	-179.6	46.2	0	0	0	0	115.9	S268 N269	S268-S271 PolarHBondContact O-OG 3.35Å; N269-S271 VanDerWaalsContact C-N 3.29Å; N269-S271 PolarHBondContact O-N 2.95Å
272	H	36.1	Very low	44.6	Very low	168 Å²	168	112.9 Å²	112.9	78%	0.778	66%	0.66	S	S	*	*			trans	-140.2	107.7	172.9	-76.4	-60.2	0	0	0	113.4	T274	H272-T274 PolarHBondContact O-N 3.11Å
273	H	30.6	Very low	42.6	Very low	188 Å²	188	115.1 Å²	115.1	87%	0.87	67%	0.673	S	S	*	*			trans	-64.2	113	153.4	-92.2	-66.5	0	0	0	108.7
274	T	30.3	Very low	40.4	Very low	120 Å²	120	116.7 Å²	116.7	74%	0.736	69%	0.69	S	S	*	*				169.8	130.8	115.7	38.3	0	0	0	0	111.8	H272	H272-T274 PolarHBondContact O-N 3.11Å
275	T	30.2	Very low	38.6	Very low	127 Å²	127	122.5 Å²	122.5	78%	0.779	70%	0.703	S	S	*	*			trans	55.2	106.5	153.3	53.7	0	0	0	0	120.3
276	S	29.8	Very low	37	Very low	117 Å²	117	126.1 Å²	126.1	82%	0.818	72%	0.72	S	S	*	*				173	140.2	105	45.3	0	0	0	0	112.2
277	N	31	Very low	35.6	Very low	160 Å²	160	128.2 Å²	128.2	86%	0.856	72%	0.724	S	S	*	*			trans	-61.4	128.9	174.1	-77.4	-33.5	0	0	0	111.6
278	T	28.5	Very low	34.4	Very low	131 Å²	131	132.4 Å²	132.4	80%	0.804	73%	0.73	S	S	*	*			trans	-170.1	124.9	137.7	9.5	0	0	0	0	113.3
279	T	28.2	Very low	33.6	Very low	103 Å²	103	136.7 Å²	136.7	63%	0.632	75%	0.746	S	S	*	*			trans	60.6	92.5	144.7	-19.2	0	0	0	0	119.8	N281	T279-N281 HydrophobicContact CG2-CB 4.34Å; T279-N281 PolarHBondContact O-N 3.13Å
280	I	27.5	Very low	32.7	Very low	172 Å²	172	139.4 Å²	139.4	88%	0.882	76%	0.755	S	S	*	*			trans	-71.7	99.1	154.3	-61.5	170.2	0	0	0	107.2
281	N	29	Very low	32.1	Very low	123 Å²	123	140.4 Å²	140.4	66%	0.658	75%	0.751	S	S	*	*			trans	-120.5	110.7	168.7	-92.8	-12.9	0	0	0	110.7	T279 I283	T279-N281 HydrophobicContact CG2-CB 4.34Å; T279-N281 PolarHBondContact O-N 3.13Å; N281-I283 PolarHBondContact O-N 3.09Å
282	T	28.3	Very low	32.5	Very low	122 Å²	122	142.5 Å²	142.5	75%	0.748	77%	0.765	S	S	*	*			trans	1.7	100.3	145.2	-34.9	0	0	0	0	116
283	I	30.8	Very low	33.6	Very low	153 Å²	153	141.4 Å²	141.4	79%	0.785	77%	0.765	S	S	*	*			trans	-99.4	92.4	158.6	-61.7	178.3	0	0	0	107.4	N281	N281-I283 PolarHBondContact O-N 3.09Å
284	S	28.9	Very low	36.2	Very low	90 Å²	90	134.4 Å²	134.4	63%	0.629	74%	0.738	S	S	*	*			trans	-94.5	133.2	162.7	-77.3	0	0	0	0	109.3
285	K	30.2	Very low	39.2	Very low	185 Å²	185	132.3 Å²	132.3	80%	0.804	72%	0.717	S	S	*	*	S	Bend	trans	46.8	96.5	150.3	-63.9	175.7	178.9	173.1	0	116.5
286	N	30	Very low	42.3	Very low	162 Å²	162	128.8 Å²	128.8	87%	0.866	70%	0.695	S	S	*	*			trans	172.9	67.2	138.6	-87.9	-21.6	0	0	0	111.9
287	I	35.5	Very low	45.4	Very low	121 Å²	121	125.9 Å²	125.9	62%	0.621	67%	0.67	S	S	*	*			trans	-146.1	85.8	161.1	-50.5	177.3	0	0	0	109.6	T258	T258-I287 HydrophobicContact CG2-CG2 4.45Å
288	F	34.7	Very low	48.5	Very low	152 Å²	152	120.6 Å²	120.6	67%	0.667	64%	0.639	S	S	*	*			trans	-139.3	89.6	155.4	-83.1	-74.3	0	0	0	108
289	I	37.6	Very low	51.7	Low	155 Å²	155	115 Å²	115	80%	0.795	60%	0.603	S	S	*	*			trans	-112.4	119.9	162.1	-63.9	178.5	0	0	0	106.3	H291	I289-H291 PolarHBondContact O-N 3.47Å
290	H	32.2	Very low	55	Low	174 Å²	174	110.4 Å²	110.4	81%	0.806	58%	0.575	S	S	*	*			trans	-65	108.5	-179.4	-88.6	-89.9	0	0	0	111.5
291	H	39.7	Very low	58.2	Low	146 Å²	146	102.2 Å²	102.2	68%	0.676	53%	0.533	S	S	*	.			trans	-126.4	139	144.5	-84.9	-41.1	0	0	0	108.2	I289 N293 S294	I289-H291 PolarHBondContact O-N 3.47Å; H291-N293 PolarHBondContact O-N 3.45Å; H291-S294 VanDerWaalsContact O-CB 3.22Å; H291-S294 WeakPolarHBondContact O-CB 3.43Å; H291-S294 PolarHBondContact O-N 2.95Å; H291-S294 PolarHBondContact O-OG 3.45Å
292	S	52.4	Low	61.3	Low	123 Å²	123	96.6 Å²	96.6	86%	0.86	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-6.3	-174.6	45.3	0	0	0	0	114.8
293	N	59.4	Low	64.4	Low	146 Å²	146	90.8 Å²	90.8	78%	0.781	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	14.9	172	-69.4	-6.1	0	0	0	114.1	H291	H291-N293 PolarHBondContact O-N 3.45Å
294	S	86.5	Confident	67.4	Low	41 Å²	41	83.8 Å²	83.8	29%	0.287	43%	0.431	S	S	.	.			trans	-85.5	-4.4	-170.3	50.4	0	0	0	0	115.6	P256 S257 H291	P256-S294 CarbonylContact C-O 3.6Å; P256-S294 WeakPolarHBondContact CA-O 3.42Å; S257-S294 PolarHBondContact N-O 3.02Å; S257-S294 VanDerWaalsContact OG-C 3.25Å; S257-S294 PolarHBondContact OG-O 3.39Å; S257-S294 VanDerWaalsContact OG-O 3.07Å; H291-S294 VanDerWaalsContact O-CB 3.22Å; H291-S294 WeakPolarHBondContact O-CB 3.43Å; H291-S294 PolarHBondContact O-N 2.95Å; H291-S294 PolarHBondContact O-OG 3.45Å
295	Y	92.5	Very high	70.5	Confident	76 Å²	76	79.5 Å²	79.5	30%	0.298	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.2	-176.7	-73.9	-90	0	0	0	112	G229 Y231 A255 P256	G229-Y295 VanDerWaalsContact O-CE1 3.31Å; G229-Y295 WeakPolarHBondContact O-CE1 3.17Å; Y231-Y295 HydrophobicContact CD1-CD1 4.08Å; Y231-Y295 AromaticContact CD1-CE1 3.84Å; Y231-Y295 HydrophobicContact CD1-CE1 3.84Å; Y231-Y295 AromaticContact CE1-CD1 3.66Å; Y231-Y295 HydrophobicContact CE1-CD1 3.66Å; Y231-Y295 HydrophobicContact CE1-CD2 4.47Å; Y231-Y295 AromaticContact CE1-CE1 3.8Å; Y231-Y295 HydrophobicContact CE1-CE1 3.8Å; Y231-Y295 HydrophobicContact CE1-CG 4.02Å; A255-Y295 CarbonylContact O-C 3.54Å; A255-Y295 WeakPolarHBondContact O-CA 3.04Å; P256-Y295 HydrophobicContact CB-CD1 4.34Å; P256-Y295 HydrophobicContact CB-CE1 4.04Å
296	V	94.4	Very high	73.5	Confident	52 Å²	52	71.9 Å²	71.9	32%	0.315	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.4	177	-175.6	0	0	0	0	108.5	Y254 A255 K298	Y254-V296 WeakPolarHBondContact CA-O 3.45Å; A255-V296 PolarHBondContact N-O 3.45Å; A255-V296 PolarHBondContact O-N 3.05Å; V296-K298 HydrophobicContact CB-CD 4.31Å; V296-K298 HydrophobicContact CG1-CD 4.03Å; V296-K298 PolarHBondContact O-N 3.21Å
297	L	95.4	Very high	76.5	Confident	56 Å²	56	69.1 Å²	69.1	29%	0.293	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	121.4	171.4	176.9	62.8	0	0	0	108.9	E252 Y254 I300 P314	E252-L297 HydrophobicContact CB-CD1 3.67Å; E252-L297 HydrophobicContact CG-CD1 3.95Å; Y254-L297 HydrophobicContact CD1-CB 4.16Å; Y254-L297 HydrophobicContact CD1-CD1 4.48Å; Y254-L297 HydrophobicContact CE1-CB 3.76Å; Y254-L297 HydrophobicContact CE1-CD1 4.06Å; Y254-L297 HydrophobicContact CE1-CG 4.48Å; Y254-L297 HydrophobicContact CE2-CD1 4.21Å; L297-I300 HydrophobicContact CD1-CD1 4.23Å; L297-I300 HydrophobicContact CD2-CD1 4.07Å; L297-P314 HydrophobicContact CD2-CB 3.87Å; L297-P314 HydrophobicContact CD2-CG 3.96Å; L297-P314 HydrophobicContact CG-CB 4.25Å; L297-P314 HydrophobicContact CG-CG 3.77Å
298	K	96	Very high	79.3	Confident	50 Å²	50	63.4 Å²	63.4	22%	0.217	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-39.8	-176.7	-58.5	-59.1	-63.6	-166.5	0	112.5	I97 L253 A255 D260 V296 P314	I97-K298 HydrophobicContact CD1-CB 4.34Å; I97-K298 HydrophobicContact CD1-CG 3.88Å; I97-K298 HydrophobicContact CG2-CB 4.17Å; L253-K298 HydrophobicContact CD2-CB 4.11Å; L253-K298 PolarHBondContact O-N 2.85Å; A255-K298 HydrophobicContact CB-CD 4.24Å; A255-K298 HydrophobicContact CB-CG 3.72Å; D260-K298 VanDerWaalsContact CG-NZ 3.32Å; D260-K298 IonicContact OD1-NZ 3.75Å; D260-K298 PolarHBondContact OD1-NZ 2.67Å; D260-K298 IonicContact OD2-NZ 2.65Å; D260-K298 PolarHBondContact OD2-NZ 2.73Å; D260-K298 VanDerWaalsContact OD2-NZ 3.14Å; V296-K298 HydrophobicContact CB-CD 4.31Å; V296-K298 HydrophobicContact CG1-CD 4.03Å; V296-K298 PolarHBondContact O-N 3.21Å; K298-P314 WeakPolarHBondContact O-CD 3.5Å
299	R	97	Very high	82.2	Confident	13 Å²	13	56.2 Å²	56.2	5%	0.049	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	147.1	-172.9	-57.1	-67.4	-66.6	171.7	13.7	111.2	I97 E101 L253 T311 V312 E313	I97-R299 HydrophobicContact CG2-CG 3.82Å; E101-R299 WeakPolarHBondContact OE1-CG 3.29Å; E101-R299 IonicContact OE1-CZ 2.72Å; E101-R299 IonicContact OE1-NE 3.63Å; E101-R299 PolarHBondContact OE1-NE 2.81Å; E101-R299 IonicContact OE1-NH2 3.14Å; L253-R299 HydrophobicContact CB-CB 4.1Å; L253-R299 PolarHBondContact N-O 3.24Å; L253-R299 PolarHBondContact O-N 2.67Å; R299-T311 PolarHBondContact NE-OG1 3.39Å; R299-T311 PolarHBondContact NH2-O 2.8Å; R299-T311 VanDerWaalsContact NH2-O 3.13Å; R299-T311 PolarHBondContact NH2-OG1 2.84Å; R299-V312 PolarHBondContact NE-O 3.48Å; R299-V312 VanDerWaalsContact NH2-C 3.29Å; R299-V312 VanDerWaalsContact NH2-N 3.16Å; R299-E313 IonicContact CZ-OE1 3.66Å; R299-E313 VanDerWaalsContact NH1-CG 3.31Å; R299-E313 IonicContact NH1-OE1 2.98Å; R299-E313 PolarHBondContact NH1-OE1 3.39Å
300	I	96.1	Very high	85	Confident	7 Å²	7	49.5 Å²	49.5	4%	0.036	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.8	164.3	-57.1	-62	0	0	0	108.2	G251 E252 L297 T311 V312 P314 W317	G251-I300 WeakPolarHBondContact O-CA 3.21Å; E252-I300 HydrophobicContact CG-CD1 3.74Å; L297-I300 HydrophobicContact CD1-CD1 4.23Å; L297-I300 HydrophobicContact CD2-CD1 4.07Å; I300-T311 CarbonylContact O-C 3.53Å; I300-T311 VanDerWaalsContact O-CA 3.27Å; I300-T311 WeakPolarHBondContact O-CA 3.47Å; I300-T311 PolarHBondContact O-OG1 3.05Å; I300-V312 HydrophobicContact CB-CG2 4.03Å; I300-V312 PolarHBondContact N-O 2.86Å; I300-V312 PolarHBondContact O-N 2.86Å; I300-P314 HydrophobicContact CG1-CB 4.43Å; I300-W317 HydrophobicContact CB-CB 4.12Å; I300-W317 HydrophobicContact CB-CD2 4.36Å; I300-W317 HydrophobicContact CB-CG 4.14Å; I300-W317 HydrophobicContact CG1-CB 3.75Å; I300-W317 HydrophobicContact CG1-CG 3.91Å; I300-W317 HydrophobicContact CG2-CB 4.28Å; I300-W317 HydrophobicContact CG2-CD2 3.56Å; I300-W317 HydrophobicContact CG2-CE3 3.82Å; I300-W317 HydrophobicContact CG2-CG 3.77Å; I300-W317 HydrophobicContact CG2-CZ2 4.48Å; I300-W317 HydrophobicContact CG2-CZ3 4.37Å
301	I	96.2	Very high	88	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.1	177.4	-62.8	-176	0	0	0	108.2	E101 L234 T250 G251 L253 L309 F310 L366	E101-I301 HydrophobicContact CG-CD1 4.41Å; L234-I301 HydrophobicContact CD2-CB 3.79Å; L234-I301 HydrophobicContact CD2-CG2 3.78Å; T250-I301 CarbonylContact C-O 3.51Å; T250-I301 VanDerWaalsContact CA-O 3.32Å; T250-I301 WeakPolarHBondContact CA-O 3.45Å; G251-I301 PolarHBondContact N-O 2.72Å; G251-I301 PolarHBondContact O-N 2.73Å; L253-I301 HydrophobicContact CD1-CD1 4.46Å; I301-L309 HydrophobicContact CG2-CD1 3.82Å; I301-L309 HydrophobicContact CG2-CD2 3.47Å; I301-L309 VanDerWaalsContact CG2-CD2 3.47Å; I301-L309 HydrophobicContact CG2-CG 3.54Å; I301-F310 WeakPolarHBondContact CA-O 3.08Å; I301-L366 HydrophobicContact CD1-CD1 4.27Å; I301-L366 HydrophobicContact CG1-CD1 4.43Å; I301-L366 HydrophobicContact CG2-CD1 4.29Å
302	F	93.7	Very high	90.7	Very high	5 Å²	5	34.3 Å²	34.3	2%	0.022	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	158.7	-177.2	67.5	-82.3	0	0	0	112	V249 T250 F310 V312 W317 L360	V249-F302 CarbonylContact O-C 3.15Å; V249-F302 VanDerWaalsContact O-CA 3.27Å; V249-F302 WeakPolarHBondContact O-CA 3.21Å; T250-F302 HydrophobicContact CG2-CB 4.24Å; F302-F310 HydrophobicContact CD1-CB 4.34Å; F302-F310 HydrophobicContact CD2-CB 4.39Å; F302-F310 HydrophobicContact CE1-CB 3.84Å; F302-F310 HydrophobicContact CE2-CB 3.92Å; F302-F310 HydrophobicContact CE2-CD2 4.39Å; F302-F310 HydrophobicContact CE2-CG 4.38Å; F302-F310 HydrophobicContact CZ-CB 3.62Å; F302-F310 HydrophobicContact CZ-CG 4.39Å; F302-F310 PolarHBondContact N-O 2.85Å; F302-F310 PolarHBondContact O-N 2.78Å; F302-V312 HydrophobicContact CD1-CG2 4.29Å; F302-V312 HydrophobicContact CE1-CB 4.4Å; F302-V312 HydrophobicContact CE1-CG1 3.88Å; F302-V312 HydrophobicContact CE1-CG2 3.86Å; F302-V312 HydrophobicContact CZ-CG1 4.41Å; F302-W317 HydrophobicContact CB-CH2 3.76Å; F302-W317 HydrophobicContact CB-CZ3 3.74Å; F302-W317 AromaticContact CD1-CE3 3.96Å; F302-W317 HydrophobicContact CD1-CE3 3.96Å; F302-W317 HydrophobicContact CD1-CH2 4.37Å; F302-W317 AromaticContact CD1-CZ3 3.48Å; F302-W317 HydrophobicContact CD1-CZ3 3.48Å; F302-W317 VanDerWaalsContact CD1-CZ3 3.48Å; F302-W317 HydrophobicContact CD2-CH2 4.41Å; F302-W317 AromaticContact CD2-CZ3 3.9Å; F302-W317 HydrophobicContact CD2-CZ3 3.9Å; F302-W317 HydrophobicContact CE1-CE3 4.3Å; F302-W317 HydrophobicContact CE1-CZ3 4.02Å; F302-W317 HydrophobicContact CE2-CZ3 4.38Å; F302-W317 HydrophobicContact CG-CE3 4.34Å; F302-W317 AromaticContact CG-CH2 3.94Å; F302-W317 HydrophobicContact CG-CH2 3.94Å; F302-W317 AromaticContact CG-CZ3 3.41Å; F302-W317 HydrophobicContact CG-CZ3 3.41Å; F302-W317 VanDerWaalsContact CG-CZ3 3.41Å; F302-W317 HydrophobicContact CZ-CZ3 4.43Å; F302-L360 HydrophobicContact CE1-CD1 4Å; F302-L360 HydrophobicContact CE2-CD1 4.5Å; F302-L360 HydrophobicContact CZ-CD1 3.78Å; F302-L360 HydrophobicContact CZ-CG 4.45Å
303	G	93.4	Very high	92.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.3	-145.8	174.6	0	0	0	0	0	113.1	V249 G308	V249-G303 PolarHBondContact N-O 3.24Å; V249-G303 PolarHBondContact O-N 2.67Å; G303-G308 WeakPolarHBondContact CA-O 3.43Å
304	N	93.4	Very high	94.3	Very high	6 Å²	6	26.7 Å²	26.7	3%	0.032	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	118.9	-176.6	-179.5	-42.8	0	0	0	109.2	C246 N247 S306 R307 G308	C246-N304 PolarHBondContact O-ND2 3.18Å; N247-N304 WeakPolarHBondContact CB-OD1 3.48Å; N247-N304 VanDerWaalsContact O-CA 3.3Å; N247-N304 WeakPolarHBondContact O-CA 3.49Å; N304-S306 PolarHBondContact O-N 3.13Å; N304-S306 WeakPolarHBondContact OD1-CB 3.49Å; N304-S306 PolarHBondContact OD1-N 3.3Å; N304-S306 PolarHBondContact OD1-OG 3.03Å; N304-R307 HydrophobicContact CB-CB 4.26Å; N304-R307 PolarHBondContact O-N 3.36Å; N304-G308 CarbonylContact C-O 3.54Å; N304-G308 PolarHBondContact N-O 3.22Å; N304-G308 PolarHBondContact O-N 2.97Å
305	W	94.9	Very high	94.5	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.3	-173	65.6	-101	0	0	0	113.7	V108 M111 S112 N114 A115 V215 H217 F236 N247 V249 W367	V108-W305 HydrophobicContact CG1-CB 3.93Å; M111-W305 WeakPolarHBondContact O-CZ3 3.28Å; S112-W305 WeakPolarHBondContact CA-O 3.27Å; S112-W305 VanDerWaalsContact CB-O 3.25Å; S112-W305 WeakPolarHBondContact CB-O 3.14Å; N114-W305 HydrophobicContact CB-CZ3 4.32Å; A115-W305 HydrophobicContact CB-CH2 4.04Å; A115-W305 HydrophobicContact CB-CZ3 3.98Å; V215-W305 HydrophobicContact CG2-CH2 4.39Å; H217-W305 HydrophobicContact CB-CD2 4.4Å; H217-W305 AromaticContact CD2-CD2 3.87Å; H217-W305 AromaticContact CD2-CE2 3.89Å; H217-W305 AromaticContact CD2-CE3 3.77Å; H217-W305 AromaticContact CD2-CH2 3.83Å; H217-W305 AromaticContact CD2-CZ2 3.9Å; H217-W305 AromaticContact CD2-CZ3 3.76Å; F236-W305 HydrophobicContact CD1-CB 4.17Å; F236-W305 AromaticContact CD1-CD1 3.82Å; F236-W305 HydrophobicContact CD1-CG 4.13Å; F236-W305 HydrophobicContact CE1-CB 3.58Å; F236-W305 AromaticContact CE1-CG 3.96Å; F236-W305 HydrophobicContact CE1-CG 3.96Å; N247-W305 VanDerWaalsContact CA-NE1 3.32Å; N247-W305 HydrophobicContact CB-CD2 4.39Å; N247-W305 HydrophobicContact CB-CG 4.27Å; N247-W305 HydrophobicContact CB-CZ2 4.34Å; N247-W305 PolarHBondContact O-N 3.44Å; N247-W305 VanDerWaalsContact O-N 3.09Å; N247-W305 VanDerWaalsContact OD1-CE2 3.27Å; N247-W305 WeakPolarHBondContact OD1-CZ2 3.42Å; N247-W305 PolarHBondContact OD1-NE1 3.17Å; N247-W305 VanDerWaalsContact OD1-NE1 3.08Å; V249-W305 HydrophobicContact CG2-CB 3.75Å; V249-W305 HydrophobicContact CG2-CG 4.42Å; W305-W367 WeakPolarHBondContact O-CH2 3.4Å
306	S	93.2	Very high	94.5	Very high	24 Å²	24	26.3 Å²	26.3	17%	0.168	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-8.8	178	69.2	0	0	0	0	113.9	N247 N304	N247-S306 PolarHBondContact ND2-OG 3.14Å; N304-S306 PolarHBondContact O-N 3.13Å; N304-S306 WeakPolarHBondContact OD1-CB 3.49Å; N304-S306 PolarHBondContact OD1-N 3.3Å; N304-S306 PolarHBondContact OD1-OG 3.03Å
307	R	92.5	Very high	94.2	Very high	105 Å²	105	25.3 Å²	25.3	40%	0.396	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.7	-40.7	-169.8	-61.4	-172.3	65	141.2	-9.8	115.7	N304 D353 L356 I368 A369	N304-R307 HydrophobicContact CB-CB 4.26Å; N304-R307 PolarHBondContact O-N 3.36Å; R307-D353 VanDerWaalsContact CD-OD1 3.23Å; R307-D353 WeakPolarHBondContact CD-OD1 3.34Å; R307-D353 IonicContact CZ-OD1 2.84Å; R307-D353 IonicContact CZ-OD2 2.73Å; R307-D353 IonicContact NE-OD1 3.52Å; R307-D353 IonicContact NE-OD2 2.75Å; R307-D353 IonicContact NH1-OD1 2.78Å; R307-D353 PolarHBondContact NH1-OD1 3.45Å; R307-D353 IonicContact NH1-OD2 3.86Å; R307-D353 PolarHBondContact NH1-OD2 3.1Å; R307-D353 IonicContact NH2-OD2 2.72Å; R307-D353 PolarHBondContact NH2-OD2 3.01Å; R307-L356 HydrophobicContact CB-CD1 3.87Å; R307-L356 HydrophobicContact CG-CD1 4.45Å; R307-I368 CarbonylContact O-C 3.6Å; R307-I368 WeakPolarHBondContact O-CA 3.42Å; R307-A369 PolarHBondContact O-N 3.36Å
308	G	94.1	Very high	93.6	Very high	1 Å²	1	27 Å²	27	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.6	161.2	-172.3	0	0	0	0	0	114.8	G303 N304 W367	G303-G308 WeakPolarHBondContact CA-O 3.43Å; N304-G308 CarbonylContact C-O 3.54Å; N304-G308 PolarHBondContact N-O 3.22Å; N304-G308 PolarHBondContact O-N 2.97Å; G308-W367 CarbonylContact C-O 3.56Å; G308-W367 WeakPolarHBondContact CA-O 3.48Å
309	L	96	Very high	92.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	140.2	-178.7	-156.6	72.2	0	0	0	110.4	A105 V108 V249 I301 L366 W367	A105-L309 HydrophobicContact CB-CD2 4.22Å; V108-L309 HydrophobicContact CB-CD2 4.3Å; V108-L309 HydrophobicContact CG2-CD2 4.03Å; V249-L309 HydrophobicContact CB-CD1 4.37Å; V249-L309 HydrophobicContact CG1-CD1 4.29Å; I301-L309 HydrophobicContact CG2-CD1 3.82Å; I301-L309 HydrophobicContact CG2-CD2 3.47Å; I301-L309 VanDerWaalsContact CG2-CD2 3.47Å; I301-L309 HydrophobicContact CG2-CG 3.54Å; L309-L366 HydrophobicContact CD2-CD1 4.23Å; L309-L366 HydrophobicContact CG-CD1 4.49Å; L309-L366 WeakPolarHBondContact O-CB 3.32Å; L309-L366 PolarHBondContact O-N 2.81Å; L309-W367 HydrophobicContact CB-CE3 4.17Å; L309-W367 PolarHBondContact N-O 3.44Å; L309-W367 PolarHBondContact O-N 3.49Å
310	F	95.5	Very high	92	Very high	15 Å²	15	30 Å²	30	7%	0.066	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	164.1	-177	-58.8	-90.3	0	0	0	110.2	I301 F302 G355 L356 R364 C365 I368	I301-F310 WeakPolarHBondContact CA-O 3.08Å; F302-F310 HydrophobicContact CD1-CB 4.34Å; F302-F310 HydrophobicContact CD2-CB 4.39Å; F302-F310 HydrophobicContact CE1-CB 3.84Å; F302-F310 HydrophobicContact CE2-CB 3.92Å; F302-F310 HydrophobicContact CE2-CD2 4.39Å; F302-F310 HydrophobicContact CE2-CG 4.38Å; F302-F310 HydrophobicContact CZ-CB 3.62Å; F302-F310 HydrophobicContact CZ-CG 4.39Å; F302-F310 PolarHBondContact N-O 2.85Å; F302-F310 PolarHBondContact O-N 2.78Å; F310-G355 WeakPolarHBondContact CE2-O 3.38Å; F310-L356 HydrophobicContact CE2-CD2 3.81Å; F310-L356 HydrophobicContact CE2-CG 4.24Å; F310-L356 HydrophobicContact CZ-CD2 3.65Å; F310-R364 CarbonylContact C-O 3.55Å; F310-R364 VanDerWaalsContact CA-O 3.29Å; F310-R364 WeakPolarHBondContact CA-O 3.15Å; F310-C365 HydrophobicContact CD1-CB 3.96Å; F310-C365 HydrophobicContact CE1-CB 3.83Å; F310-I368 HydrophobicContact CE1-CD1 4.44Å; F310-I368 HydrophobicContact CE2-CD1 4.42Å; F310-I368 HydrophobicContact CZ-CD1 3.78Å
311	T	96.2	Very high	90.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	142.2	177.5	178.7	0	0	0	0	111.1	E101 R299 I300 R364 L366	E101-T311 WeakPolarHBondContact OE1-CB 3.26Å; E101-T311 VanDerWaalsContact OE1-CG2 3.29Å; E101-T311 WeakPolarHBondContact OE1-CG2 3.45Å; E101-T311 PolarHBondContact OE1-OG1 3.04Å; R299-T311 PolarHBondContact NE-OG1 3.39Å; R299-T311 PolarHBondContact NH2-O 2.8Å; R299-T311 VanDerWaalsContact NH2-O 3.13Å; R299-T311 PolarHBondContact NH2-OG1 2.84Å; I300-T311 CarbonylContact O-C 3.53Å; I300-T311 VanDerWaalsContact O-CA 3.27Å; I300-T311 WeakPolarHBondContact O-CA 3.47Å; I300-T311 PolarHBondContact O-OG1 3.05Å; T311-R364 HydrophobicContact CG2-CB 3.81Å; T311-R364 PolarHBondContact N-O 3.09Å; T311-R364 PolarHBondContact O-N 2.75Å; T311-L366 HydrophobicContact CG2-CD1 4.1Å; T311-L366 HydrophobicContact CG2-CD2 3.53Å; T311-L366 HydrophobicContact CG2-CG 3.71Å
312	V	94.9	Very high	89.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	162.3	173.2	-72.2	0	0	0	0	111.2	R299 I300 F302 V316 W317 L360 Q363	R299-V312 PolarHBondContact NE-O 3.48Å; R299-V312 VanDerWaalsContact NH2-C 3.29Å; R299-V312 VanDerWaalsContact NH2-N 3.16Å; I300-V312 HydrophobicContact CB-CG2 4.03Å; I300-V312 PolarHBondContact N-O 2.86Å; I300-V312 PolarHBondContact O-N 2.86Å; F302-V312 HydrophobicContact CD1-CG2 4.29Å; F302-V312 HydrophobicContact CE1-CB 4.4Å; F302-V312 HydrophobicContact CE1-CG1 3.88Å; F302-V312 HydrophobicContact CE1-CG2 3.86Å; F302-V312 HydrophobicContact CZ-CG1 4.41Å; V312-V316 HydrophobicContact CB-CB 4.3Å; V312-V316 HydrophobicContact CB-CG1 4.29Å; V312-V316 HydrophobicContact CG1-CG1 4.22Å; V312-W317 HydrophobicContact CG2-CB 4Å; V312-W317 HydrophobicContact CG2-CE3 4Å; V312-L360 HydrophobicContact CG1-CB 3.93Å; V312-L360 HydrophobicContact CG1-CD1 3.93Å; V312-L360 HydrophobicContact CG2-CD1 4.2Å; V312-Q363 HydrophobicContact CG1-CB 3.69Å
313	E	94.4	Very high	87.5	Confident	88 Å²	88	46.2 Å²	46.2	41%	0.411	23%	0.225	S	C	.	.			trans	-67.1	149.5	166.6	-70.5	-62.6	148.6	0	0	110.1	R299 N315 V316 W317	R299-E313 IonicContact CZ-OE1 3.66Å; R299-E313 VanDerWaalsContact NH1-CG 3.31Å; R299-E313 IonicContact NH1-OE1 2.98Å; R299-E313 PolarHBondContact NH1-OE1 3.39Å; E313-N315 VanDerWaalsContact C-N 3.31Å; E313-N315 WeakPolarHBondContact CB-OD1 3.21Å; E313-N315 PolarHBondContact O-N 3.35Å; E313-V316 HydrophobicContact CB-CG2 4.35Å; E313-V316 PolarHBondContact O-N 3.24Å; E313-W317 PolarHBondContact O-N 3.26Å
314	P	93.8	Very high	86.1	Confident	21 Å²	21	51 Å²	51	14%	0.136	25%	0.249	C	C	.	.	H	α-helix	trans	-58.6	-36.3	-177.7	-27.1	36.2	0	0	0	114.8	L297 K298 I300 W317 N318	L297-P314 HydrophobicContact CD2-CB 3.87Å; L297-P314 HydrophobicContact CD2-CG 3.96Å; L297-P314 HydrophobicContact CG-CB 4.25Å; L297-P314 HydrophobicContact CG-CG 3.77Å; K298-P314 WeakPolarHBondContact O-CD 3.5Å; I300-P314 HydrophobicContact CG1-CB 4.43Å; P314-W317 PolarHBondContact O-N 3.39Å; P314-N318 VanDerWaalsContact O-CG 3.24Å; P314-N318 PolarHBondContact O-N 3Å; P314-N318 VanDerWaalsContact O-N 3.08Å; P314-N318 PolarHBondContact O-ND2 3.05Å; P314-N318 PolarHBondContact O-OD1 3.02Å
315	N	91.4	Very high	83.7	Confident	90 Å²	90	53.9 Å²	53.9	48%	0.481	27%	0.265	S	S	.	.	H	α-helix	trans	-62.2	-43.8	177.7	61	-30.8	0	0	0	112.3	E313 W317 N318 E319	E313-N315 VanDerWaalsContact C-N 3.31Å; E313-N315 WeakPolarHBondContact CB-OD1 3.21Å; E313-N315 PolarHBondContact O-N 3.35Å; N315-W317 VanDerWaalsContact C-N 3.27Å; N315-W317 PolarHBondContact O-N 2.87Å; N315-N318 PolarHBondContact O-N 2.65Å; N315-E319 WeakPolarHBondContact O-CG 3.3Å; N315-E319 PolarHBondContact O-N 2.8Å; N315-E319 VanDerWaalsContact O-N 3.11Å
316	V	91.1	Very high	81.1	Confident	20 Å²	20	58 Å²	58	12%	0.121	29%	0.292	C	S	.	.	H	α-helix	trans	-61.1	-38.3	177	177.2	0	0	0	0	111.2	V312 E313 K320 L360 T361	V312-V316 HydrophobicContact CB-CB 4.3Å; V312-V316 HydrophobicContact CB-CG1 4.29Å; V312-V316 HydrophobicContact CG1-CG1 4.22Å; E313-V316 HydrophobicContact CB-CG2 4.35Å; E313-V316 PolarHBondContact O-N 3.24Å; V316-K320 PolarHBondContact O-N 3.18Å; V316-L360 HydrophobicContact CG1-CB 4.01Å; V316-T361 WeakPolarHBondContact CG1-O 3.22Å
317	W	88.6	Confident	78.7	Confident	30 Å²	30	65.1 Å²	65.1	11%	0.114	32%	0.319	C	S	.	.	H	α-helix	trans	-67.2	-42	177.8	-174.5	-96.5	0	0	0	112.3	T250 I300 F302 V312 E313 P314 N315 K320 E321 L360	T250-W317 HydrophobicContact CG2-CH2 4.42Å; I300-W317 HydrophobicContact CB-CB 4.12Å; I300-W317 HydrophobicContact CB-CD2 4.36Å; I300-W317 HydrophobicContact CB-CG 4.14Å; I300-W317 HydrophobicContact CG1-CB 3.75Å; I300-W317 HydrophobicContact CG1-CG 3.91Å; I300-W317 HydrophobicContact CG2-CB 4.28Å; I300-W317 HydrophobicContact CG2-CD2 3.56Å; I300-W317 HydrophobicContact CG2-CE3 3.82Å; I300-W317 HydrophobicContact CG2-CG 3.77Å; I300-W317 HydrophobicContact CG2-CZ2 4.48Å; I300-W317 HydrophobicContact CG2-CZ3 4.37Å; F302-W317 HydrophobicContact CB-CH2 3.76Å; F302-W317 HydrophobicContact CB-CZ3 3.74Å; F302-W317 AromaticContact CD1-CE3 3.96Å; F302-W317 HydrophobicContact CD1-CE3 3.96Å; F302-W317 HydrophobicContact CD1-CH2 4.37Å; F302-W317 AromaticContact CD1-CZ3 3.48Å; F302-W317 HydrophobicContact CD1-CZ3 3.48Å; F302-W317 VanDerWaalsContact CD1-CZ3 3.48Å; F302-W317 HydrophobicContact CD2-CH2 4.41Å; F302-W317 AromaticContact CD2-CZ3 3.9Å; F302-W317 HydrophobicContact CD2-CZ3 3.9Å; F302-W317 HydrophobicContact CE1-CE3 4.3Å; F302-W317 HydrophobicContact CE1-CZ3 4.02Å; F302-W317 HydrophobicContact CE2-CZ3 4.38Å; F302-W317 HydrophobicContact CG-CE3 4.34Å; F302-W317 AromaticContact CG-CH2 3.94Å; F302-W317 HydrophobicContact CG-CH2 3.94Å; F302-W317 AromaticContact CG-CZ3 3.41Å; F302-W317 HydrophobicContact CG-CZ3 3.41Å; F302-W317 VanDerWaalsContact CG-CZ3 3.41Å; F302-W317 HydrophobicContact CZ-CZ3 4.43Å; V312-W317 HydrophobicContact CG2-CB 4Å; V312-W317 HydrophobicContact CG2-CE3 4Å; E313-W317 PolarHBondContact O-N 3.26Å; P314-W317 PolarHBondContact O-N 3.39Å; N315-W317 VanDerWaalsContact C-N 3.27Å; N315-W317 PolarHBondContact O-N 2.87Å; W317-K320 HydrophobicContact CD2-CD 4.41Å; W317-K320 HydrophobicContact CE3-CD 4.14Å; W317-K320 HydrophobicContact CH2-CD 4.48Å; W317-K320 HydrophobicContact CZ3-CD 4.17Å; W317-K320 WeakPolarHBondContact O-CB 3.45Å; W317-K320 PolarHBondContact O-N 3.18Å; W317-E321 PolarHBondContact O-N 3.02Å; W317-E321 VanDerWaalsContact O-N 3.1Å; W317-L360 HydrophobicContact CE3-CD1 3.88Å; W317-L360 HydrophobicContact CZ3-CD1 4.16Å
318	N	83.8	Confident	76.5	Confident	92 Å²	92	68.2 Å²	68.2	49%	0.492	34%	0.336	S	S	.	.	H	α-helix	trans	-62.4	-44.1	179.4	-66.2	-15.2	0	0	0	111.6	P314 N315 K320 E321 E322	P314-N318 VanDerWaalsContact O-CG 3.24Å; P314-N318 PolarHBondContact O-N 3Å; P314-N318 VanDerWaalsContact O-N 3.08Å; P314-N318 PolarHBondContact O-ND2 3.05Å; P314-N318 PolarHBondContact O-OD1 3.02Å; N315-N318 PolarHBondContact O-N 2.65Å; N318-K320 PolarHBondContact O-N 3.02Å; N318-E321 PolarHBondContact O-N 3.39Å; N318-E321 VanDerWaalsContact O-N 3.15Å; N318-E322 WeakPolarHBondContact O-CG 3.32Å; N318-E322 PolarHBondContact O-N 2.99Å
319	E	81.5	Confident	74	Confident	108 Å²	108	73.5 Å²	73.5	51%	0.505	37%	0.373	S	S	.	.	H	α-helix	trans	-55.8	-39.2	175.6	-71.3	169.3	-166.6	0	0	112	N315 I323	N315-E319 WeakPolarHBondContact O-CG 3.3Å; N315-E319 PolarHBondContact O-N 2.8Å; N315-E319 VanDerWaalsContact O-N 3.11Å; E319-I323 WeakPolarHBondContact O-CD1 3.33Å; E319-I323 VanDerWaalsContact O-CG1 3.28Å; E319-I323 WeakPolarHBondContact O-CG1 3.48Å; E319-I323 PolarHBondContact O-N 3.08Å
320	K	77.9	Confident	71	Confident	17 Å²	17	77.5 Å²	77.5	7%	0.074	40%	0.4	C	S	.	.	H	α-helix	trans	-68.1	-45.4	176.3	168.8	-126.6	175.1	-150.5	0	112.4	V316 W317 N318 E322 I323 I324 L360	V316-K320 PolarHBondContact O-N 3.18Å; W317-K320 HydrophobicContact CD2-CD 4.41Å; W317-K320 HydrophobicContact CE3-CD 4.14Å; W317-K320 HydrophobicContact CH2-CD 4.48Å; W317-K320 HydrophobicContact CZ3-CD 4.17Å; W317-K320 WeakPolarHBondContact O-CB 3.45Å; W317-K320 PolarHBondContact O-N 3.18Å; N318-K320 PolarHBondContact O-N 3.02Å; K320-E322 VanDerWaalsContact C-N 3.27Å; K320-E322 PolarHBondContact O-N 3.28Å; K320-I323 PolarHBondContact O-N 2.85Å; K320-I323 VanDerWaalsContact O-N 3.17Å; K320-I324 HydrophobicContact CD-CD1 4.23Å; K320-I324 HydrophobicContact CG-CD1 3.89Å; K320-I324 WeakPolarHBondContact O-CG1 3.48Å; K320-I324 PolarHBondContact O-N 3.18Å; K320-I324 VanDerWaalsContact O-N 3.1Å; K320-L360 HydrophobicContact CB-CD2 3.72Å; K320-L360 HydrophobicContact CD-CD1 4.31Å; K320-L360 HydrophobicContact CD-CD2 4.15Å; K320-L360 HydrophobicContact CG-CD2 3.76Å
321	E	72.9	Confident	67.8	Low	74 Å²	74	84.1 Å²	84.1	35%	0.346	44%	0.437	S	S	.	.	H	α-helix	trans	-63.5	-35.8	179.4	-69.4	-70.3	130.3	0	0	111.5	W317 N318 I323 I324 D325	W317-E321 PolarHBondContact O-N 3.02Å; W317-E321 VanDerWaalsContact O-N 3.1Å; N318-E321 PolarHBondContact O-N 3.39Å; N318-E321 VanDerWaalsContact O-N 3.15Å; E321-I323 VanDerWaalsContact C-N 3.3Å; E321-I323 PolarHBondContact O-N 2.96Å; E321-I324 PolarHBondContact O-N 3.01Å; E321-D325 PolarHBondContact O-N 3.02Å
322	E	59.2	Low	64.6	Low	139 Å²	139	90.6 Å²	90.6	65%	0.65	47%	0.471	S	S	*	.	H	α-helix	trans	-62.1	-35.2	173.3	-73.1	179.1	-179.5	0	0	112.9	N318 K320	N318-E322 WeakPolarHBondContact O-CG 3.32Å; N318-E322 PolarHBondContact O-N 2.99Å; K320-E322 VanDerWaalsContact C-N 3.27Å; K320-E322 PolarHBondContact O-N 3.28Å
323	I	58.7	Low	61.4	Low	140 Å²	140	97 Å²	97	72%	0.718	51%	0.506	S	S	*	.	H	α-helix	trans	-73.2	-38.4	177.6	-67.2	163.9	0	0	0	111.7	E319 K320 E321	E319-I323 WeakPolarHBondContact O-CD1 3.33Å; E319-I323 VanDerWaalsContact O-CG1 3.28Å; E319-I323 WeakPolarHBondContact O-CG1 3.48Å; E319-I323 PolarHBondContact O-N 3.08Å; K320-I323 PolarHBondContact O-N 2.85Å; K320-I323 VanDerWaalsContact O-N 3.17Å; E321-I323 VanDerWaalsContact C-N 3.3Å; E321-I323 PolarHBondContact O-N 2.96Å
324	I	63.4	Low	58.5	Low	101 Å²	101	100.1 Å²	100.1	52%	0.518	53%	0.525	S	S	.	.	H	α-helix	trans	-80.5	-35.9	-174.6	-64.9	175	0	0	0	111.8	K320 E321 I358	K320-I324 HydrophobicContact CD-CD1 4.23Å; K320-I324 HydrophobicContact CG-CD1 3.89Å; K320-I324 WeakPolarHBondContact O-CG1 3.48Å; K320-I324 PolarHBondContact O-N 3.18Å; K320-I324 VanDerWaalsContact O-N 3.1Å; E321-I324 PolarHBondContact O-N 3.01Å; I324-I358 HydrophobicContact CD1-CD1 4.25Å
325	D	44.4	Very low	55.5	Low	67 Å²	67	106.5 Å²	106.5	36%	0.358	56%	0.558	S	S	.	*			trans	-133	71.3	-177.1	-162.7	2.8	0	0	0	111.6	E321 K327 K328	E321-D325 PolarHBondContact O-N 3.02Å; D325-K327 PolarHBondContact O-N 2.82Å; D325-K328 PolarHBondContact O-N 2.98Å
326	P	38.8	Very low	52.8	Low	86 Å²	86	109.6 Å²	109.6	56%	0.558	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-62.8	-12.2	-177.8	23.1	-32.4	0	0	0	113.4	S329	P326-S329 PolarHBondContact O-OG 2.9Å
327	K	44.6	Very low	49.9	Very low	173 Å²	173	117.2 Å²	117.2	75%	0.752	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-82.2	-10.5	-178.3	-70.5	-172.3	176.9	-176	0	114.2	D325 S329	D325-K327 PolarHBondContact O-N 2.82Å; K327-S329 VanDerWaalsContact C-N 3.3Å; K327-S329 PolarHBondContact O-N 2.98Å
328	K	46.3	Very low	47.2	Very low	170 Å²	170	120 Å²	120	74%	0.739	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-76.2	-12	175.4	-100.1	178	-179.5	167.5	0	114.6	D325	D325-K328 PolarHBondContact O-N 2.98Å
329	S	40	Very low	44.6	Very low	112 Å²	112	124 Å²	124	78%	0.783	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-94	0.4	-179.9	74.1	0	0	0	0	114.7	P326 K327	P326-S329 PolarHBondContact O-OG 2.9Å; K327-S329 VanDerWaalsContact C-N 3.3Å; K327-S329 PolarHBondContact O-N 2.98Å
330	S	33.3	Very low	42.1	Very low	84 Å²	84	122.2 Å²	122.2	59%	0.587	68%	0.677	S	S	*	*	S	Bend	trans	-119.8	112.5	175.3	61.9	0	0	0	0	111.4
331	N	28.1	Very low	39.6	Very low	154 Å²	154	129.9 Å²	129.9	82%	0.824	71%	0.712	S	S	*	*			trans	-57	141.8	165.3	-89	-24	0	0	0	111.1
332	N	28.9	Very low	37.3	Very low	136 Å²	136	131.6 Å²	131.6	73%	0.727	73%	0.733	S	S	*	*			trans	102.6	117.5	160	-59.5	-22.6	0	0	0	118
333	N	29.2	Very low	35.8	Very low	136 Å²	136	129.8 Å²	129.8	73%	0.727	73%	0.731	S	S	*	*			trans	58	108.2	142.7	-57	-12.4	0	0	0	117.6
334	D	32.2	Very low	34.2	Very low	153 Å²	153	130.9 Å²	130.9	82%	0.818	74%	0.739	S	S	*	*				-174.5	146.4	96.3	-86.5	-31.7	0	0	0	111.5
335	N	31.3	Very low	32.6	Very low	154 Å²	154	129.1 Å²	129.1	82%	0.824	74%	0.735	S	S	*	*			trans	-65.9	132.9	170.4	-63.6	-58	0	0	0	109
336	D	34.4	Very low	32	Very low	155 Å²	155	131.8 Å²	131.8	83%	0.829	76%	0.759	S	S	*	*			trans	-154	93.6	152.5	-89.6	-32.8	0	0	0	109	A338	D336-A338 PolarHBondContact O-N 2.9Å
337	D	30.1	Very low	31.6	Very low	180 Å²	180	137.2 Å²	137.2	96%	0.963	78%	0.777	S	S	*	*			trans	-74.9	99.6	155	-79.1	-41.1	0	0	0	106.9
338	A	32.6	Very low	30.9	Very low	89 Å²	89	131.5 Å²	131.5	74%	0.736	76%	0.759	S	S	*	*			trans	-119.4	121	172.2	0	0	0	0	0	110.7	D336 G340	D336-A338 PolarHBondContact O-N 2.9Å; A338-G340 PolarHBondContact O-N 2.93Å
339	D	28.7	Very low	30.6	Very low	175 Å²	175	129.4 Å²	129.4	94%	0.936	75%	0.754	S	S	*	*			trans	-43.2	117.2	179	-76.2	-48.7	0	0	0	114.3
340	G	28.7	Very low	30.5	Very low	72 Å²	72	133.4 Å²	133.4	74%	0.742	76%	0.76	S	S	*	*			trans	-94.6	109.3	165.8	0	0	0	0	0	110.8	A338	A338-G340 PolarHBondContact O-N 2.93Å
341	Q	25.9	Very low	30.9	Very low	177 Å²	177	132.9 Å²	132.9	83%	0.827	75%	0.751	S	S	*	*			trans	-45.9	136.5	174.3	-90.4	167	-14.8	0	0	113.8	V343	Q341-V343 PolarHBondContact O-N 2.96Å; Q341-V343 VanDerWaalsContact O-N 3.12Å
342	S	25.5	Very low	31.6	Very low	111 Å²	111	131 Å²	131	78%	0.776	74%	0.74	S	S	*	*			trans	-65.9	101.2	174.8	49.3	0	0	0	0	111.6
343	V	26.1	Very low	33	Very low	101 Å²	101	127 Å²	127	61%	0.612	72%	0.719	S	S	*	*			trans	-88.7	107.7	164.6	-174.5	0	0	0	0	108.2	Q341 S345	Q341-V343 PolarHBondContact O-N 2.96Å; Q341-V343 VanDerWaalsContact O-N 3.12Å; V343-S345 PolarHBondContact O-N 2.94Å; V343-S345 PolarHBondContact O-OG 3.35Å
344	N	25.9	Very low	34.5	Very low	163 Å²	163	123 Å²	123	87%	0.872	69%	0.694	S	S	*	*			trans	-56	98.7	164.5	-85.5	-23.5	0	0	0	109.1
345	S	29.3	Very low	35.8	Very low	64 Å²	64	116 Å²	116	45%	0.448	66%	0.658	S	S	.	*			trans	-123.2	81.7	174	50.1	0	0	0	0	109.6	V343 E347	V343-S345 PolarHBondContact O-N 2.94Å; V343-S345 PolarHBondContact O-OG 3.35Å; S345-E347 VanDerWaalsContact C-N 3.26Å
346	S	31.9	Very low	37.6	Very low	123 Å²	123	111.7 Å²	111.7	86%	0.86	63%	0.634	S	S	*	*	S	Bend	trans	-86.8	4.3	166.4	-54.7	0	0	0	0	112.5
347	E	30.2	Very low	39	Very low	199 Å²	199	109 Å²	109	93%	0.93	62%	0.617	S	S	*	*	S	Bend	trans	-126	10.6	-171.1	-88.2	-175.7	157.8	0	0	115.9	S345	S345-E347 VanDerWaalsContact C-N 3.26Å
348	S	30.8	Very low	40.7	Very low	53 Å²	53	103.7 Å²	103.7	37%	0.371	59%	0.588	S	S	.	*			trans	-125.3	70	178.7	65.5	0	0	0	0	112.3
349	I	40.1	Very low	42.5	Very low	126 Å²	126	104.4 Å²	104.4	65%	0.646	59%	0.585	S	S	*	*			trans	-108.9	61	162.1	-51.2	178.1	0	0	0	107.8
350	E	37.9	Very low	45.1	Very low	196 Å²	196	97 Å²	97	92%	0.916	55%	0.546	S	S	*	.			trans	-139.3	25.6	159.1	-84.1	-171	172.9	0	0	109.5
351	L	41.3	Very low	47.7	Very low	74 Å²	74	99.1 Å²	99.1	39%	0.387	54%	0.544	S	S	.	.			trans	-79.6	124.7	-177.3	-109.5	89.6	0	0	0	112.2	H244	H244-L351 VanDerWaalsContact CE1-CD2 3.45Å; H244-L351 WeakPolarHBondContact CE1-CD2 3.5Å
352	L	43	Very low	50.5	Low	114 Å²	114	94.4 Å²	94.4	60%	0.597	54%	0.536	S	S	*	.			trans	21	117.9	166.1	-91.8	68.6	0	0	0	117.9	Y354 E357	L352-Y354 PolarHBondContact O-N 3.23Å; L352-Y354 VanDerWaalsContact O-N 3.11Å; L352-E357 VanDerWaalsContact CA-OE1 3.28Å; L352-E357 WeakPolarHBondContact CA-OE1 3.45Å; L352-E357 WeakPolarHBondContact CB-OE1 3.43Å; L352-E357 WeakPolarHBondContact CD2-OE2 3.2Å; L352-E357 WeakPolarHBondContact CG-OE1 3.49Å; L352-E357 WeakPolarHBondContact CG-OE2 3.44Å
353	D	56.8	Low	53.6	Low	53 Å²	53	92 Å²	92	28%	0.283	51%	0.512	S	S	.	.			trans	-81.8	92	-174.3	-75.9	-62.2	0	0	0	111.9	R307 G355 L356 E357	R307-D353 VanDerWaalsContact CD-OD1 3.23Å; R307-D353 WeakPolarHBondContact CD-OD1 3.34Å; R307-D353 IonicContact CZ-OD1 2.84Å; R307-D353 IonicContact CZ-OD2 2.73Å; R307-D353 IonicContact NE-OD1 3.52Å; R307-D353 IonicContact NE-OD2 2.75Å; R307-D353 IonicContact NH1-OD1 2.78Å; R307-D353 PolarHBondContact NH1-OD1 3.45Å; R307-D353 IonicContact NH1-OD2 3.86Å; R307-D353 PolarHBondContact NH1-OD2 3.1Å; R307-D353 IonicContact NH2-OD2 2.72Å; R307-D353 PolarHBondContact NH2-OD2 3.01Å; D353-G355 PolarHBondContact O-N 3.33Å; D353-L356 HydrophobicContact CB-CB 4.24Å; D353-L356 HydrophobicContact CB-CD1 4.13Å; D353-L356 PolarHBondContact O-N 2.9Å; D353-L356 VanDerWaalsContact O-N 3.15Å; D353-E357 PolarHBondContact N-OE1 3.38Å
354	Y	61.3	Low	56.9	Low	50 Å²	50	91.5 Å²	91.5	20%	0.196	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.7	129.5	175.4	-175.4	-86.3	0	0	0	112.5	R248 T250 L352 L356	R248-Y354 HydrophobicContact CB-CD1 3.91Å; R248-Y354 HydrophobicContact CB-CE1 4.29Å; R248-Y354 HydrophobicContact CB-CG 4.31Å; R248-Y354 HydrophobicContact CG-CD1 3.48Å; R248-Y354 VanDerWaalsContact CG-CD1 3.48Å; R248-Y354 HydrophobicContact CG-CE1 3.35Å; R248-Y354 HydrophobicContact CG-CG 4.16Å; T250-Y354 HydrophobicContact CG2-CE1 4.2Å; L352-Y354 PolarHBondContact O-N 3.23Å; L352-Y354 VanDerWaalsContact O-N 3.11Å; Y354-L356 VanDerWaalsContact C-N 3.32Å; Y354-L356 PolarHBondContact O-N 3.34Å
355	G	59.6	Low	60.2	Low	6 Å²	6	87 Å²	87	6%	0.062	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	-10.8	175.6	0	0	0	0	0	115.4	F310 D353	F310-G355 WeakPolarHBondContact CE2-O 3.38Å; D353-G355 PolarHBondContact O-N 3.33Å
356	L	69.2	Low	63.4	Low	64 Å²	64	84.5 Å²	84.5	34%	0.335	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-17.8	174.1	-77.8	158	0	0	0	113	R307 F310 D353 Y354 I368	R307-L356 HydrophobicContact CB-CD1 3.87Å; R307-L356 HydrophobicContact CG-CD1 4.45Å; F310-L356 HydrophobicContact CE2-CD2 3.81Å; F310-L356 HydrophobicContact CE2-CG 4.24Å; F310-L356 HydrophobicContact CZ-CD2 3.65Å; D353-L356 HydrophobicContact CB-CB 4.24Å; D353-L356 HydrophobicContact CB-CD1 4.13Å; D353-L356 PolarHBondContact O-N 2.9Å; D353-L356 VanDerWaalsContact O-N 3.15Å; Y354-L356 VanDerWaalsContact C-N 3.32Å; Y354-L356 PolarHBondContact O-N 3.34Å; L356-I368 HydrophobicContact CD2-CD1 4.28Å
357	E	64.6	Low	66.5	Low	98 Å²	98	79.1 Å²	79.1	46%	0.458	42%	0.422	S	S	.	.	S	Bend	trans	-93.5	-18.4	-172.5	-66.8	176.8	-172.4	0	0	114.6	L352 D353 P359	L352-E357 VanDerWaalsContact CA-OE1 3.28Å; L352-E357 WeakPolarHBondContact CA-OE1 3.45Å; L352-E357 WeakPolarHBondContact CB-OE1 3.43Å; L352-E357 WeakPolarHBondContact CD2-OE2 3.2Å; L352-E357 WeakPolarHBondContact CG-OE1 3.49Å; L352-E357 WeakPolarHBondContact CG-OE2 3.44Å; D353-E357 PolarHBondContact N-OE1 3.38Å; E357-P359 WeakPolarHBondContact O-CD 3.41Å
358	I	64.6	Low	69.7	Low	70 Å²	70	73.7 Å²	73.7	36%	0.359	40%	0.399	S	S	.	.			trans	-109.1	88.7	-175.8	-49.8	174.4	0	0	0	108.5	I324 L360 Q363	I324-I358 HydrophobicContact CD1-CD1 4.25Å; I358-L360 HydrophobicContact CG2-CD2 3.72Å; I358-L360 HydrophobicContact CG2-CG 4.26Å; I358-L360 PolarHBondContact O-N 2.93Å; I358-Q363 PolarHBondContact O-OE1 2.96Å
359	P	71.3	Confident	72.8	Confident	104 Å²	104	72.1 Å²	72.1	68%	0.675	39%	0.389	S	S	*	.			trans	-66.6	101.4	171.2	27.4	-31.9	0	0	0	109	E357	E357-P359 WeakPolarHBondContact O-CD 3.41Å
360	L	82.6	Confident	75.4	Confident	20 Å²	20	69.7 Å²	69.7	11%	0.105	38%	0.38	C	S	.	.			trans	-76.9	146.6	173.2	-62.3	176.7	0	0	0	110.1	F302 V312 V316 W317 K320 I358 A362 Q363	F302-L360 HydrophobicContact CE1-CD1 4Å; F302-L360 HydrophobicContact CE2-CD1 4.5Å; F302-L360 HydrophobicContact CZ-CD1 3.78Å; F302-L360 HydrophobicContact CZ-CG 4.45Å; V312-L360 HydrophobicContact CG1-CB 3.93Å; V312-L360 HydrophobicContact CG1-CD1 3.93Å; V312-L360 HydrophobicContact CG2-CD1 4.2Å; V316-L360 HydrophobicContact CG1-CB 4.01Å; W317-L360 HydrophobicContact CE3-CD1 3.88Å; W317-L360 HydrophobicContact CZ3-CD1 4.16Å; K320-L360 HydrophobicContact CB-CD2 3.72Å; K320-L360 HydrophobicContact CD-CD1 4.31Å; K320-L360 HydrophobicContact CD-CD2 4.15Å; K320-L360 HydrophobicContact CG-CD2 3.76Å; I358-L360 HydrophobicContact CG2-CD2 3.72Å; I358-L360 HydrophobicContact CG2-CG 4.26Å; I358-L360 PolarHBondContact O-N 2.93Å; L360-A362 PolarHBondContact O-N 2.76Å; L360-Q363 HydrophobicContact CB-CB 4.19Å; L360-Q363 VanDerWaalsContact O-CB 3.31Å; L360-Q363 WeakPolarHBondContact O-CB 3.36Å; L360-Q363 VanDerWaalsContact O-CG 3.28Å; L360-Q363 WeakPolarHBondContact O-CG 3.47Å; L360-Q363 PolarHBondContact O-N 2.9Å; L360-Q363 VanDerWaalsContact O-N 3.09Å
361	T	82.9	Confident	78.1	Confident	115 Å²	115	65.7 Å²	65.7	71%	0.706	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	133	175.1	-55.4	0	0	0	0	110.3	V316 Q363	V316-T361 WeakPolarHBondContact CG1-O 3.22Å; T361-Q363 PolarHBondContact O-N 3.15Å; T361-Q363 VanDerWaalsContact O-N 3.07Å
362	A	85.3	Confident	80.6	Confident	79 Å²	79	65.4 Å²	65.4	65%	0.653	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	18.8	-178.6	0	0	0	0	0	115.4	L360 R364	L360-A362 PolarHBondContact O-N 2.76Å; A362-R364 PolarHBondContact O-N 3.39Å
363	Q	91.5	Very high	83	Confident	60 Å²	60	61 Å²	61	28%	0.28	35%	0.345	S	S	.	.			trans	-60	140.1	170.7	75.5	177.2	11.8	0	0	110.9	V312 I358 L360 T361	V312-Q363 HydrophobicContact CG1-CB 3.69Å; I358-Q363 PolarHBondContact O-OE1 2.96Å; L360-Q363 HydrophobicContact CB-CB 4.19Å; L360-Q363 VanDerWaalsContact O-CB 3.31Å; L360-Q363 WeakPolarHBondContact O-CB 3.36Å; L360-Q363 VanDerWaalsContact O-CG 3.28Å; L360-Q363 WeakPolarHBondContact O-CG 3.47Å; L360-Q363 PolarHBondContact O-N 2.9Å; L360-Q363 VanDerWaalsContact O-N 3.09Å; T361-Q363 PolarHBondContact O-N 3.15Å; T361-Q363 VanDerWaalsContact O-N 3.07Å
364	R	93.8	Very high	84.8	Confident	90 Å²	90	67 Å²	67	34%	0.34	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	134.5	169.9	-65.5	-175	-68.6	115.3	0.3	109.6	E101 F310 T311 A362	E101-R364 IonicContact OE1-CZ 3.99Å; E101-R364 IonicContact OE1-NH2 2.97Å; E101-R364 PolarHBondContact OE1-NH2 2.91Å; E101-R364 IonicContact OE2-CZ 3.33Å; E101-R364 IonicContact OE2-NH1 3.06Å; E101-R364 PolarHBondContact OE2-NH1 2.78Å; E101-R364 IonicContact OE2-NH2 2.69Å; E101-R364 PolarHBondContact OE2-NH2 3.27Å; F310-R364 CarbonylContact C-O 3.55Å; F310-R364 VanDerWaalsContact CA-O 3.29Å; F310-R364 WeakPolarHBondContact CA-O 3.15Å; T311-R364 HydrophobicContact CG2-CB 3.81Å; T311-R364 PolarHBondContact N-O 3.09Å; T311-R364 PolarHBondContact O-N 2.75Å; A362-R364 PolarHBondContact O-N 3.39Å
365	C	95.4	Very high	86.3	Confident	70 Å²	70	67 Å²	67	47%	0.473	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	125.4	168.3	-176.4	0	0	0	0	109.3	F310 I368	F310-C365 HydrophobicContact CD1-CB 3.96Å; F310-C365 HydrophobicContact CE1-CB 3.83Å; C365-I368 WeakPolarHBondContact SG-CG1 3.43Å
366	L	97.3	Very high	88	Confident	11 Å²	11	67.3 Å²	67.3	6%	0.058	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-41.4	173.3	-63.8	179.1	0	0	0	111.1	L86 E101 A105 I301 L309 T311	L86-L366 WeakPolarHBondContact CD2-O 3.37Å; E101-L366 HydrophobicContact CB-CD1 4.04Å; E101-L366 HydrophobicContact CB-CD2 3.77Å; A105-L366 HydrophobicContact CB-CB 3.79Å; A105-L366 HydrophobicContact CB-CD1 4.41Å; I301-L366 HydrophobicContact CD1-CD1 4.27Å; I301-L366 HydrophobicContact CG1-CD1 4.43Å; I301-L366 HydrophobicContact CG2-CD1 4.29Å; L309-L366 HydrophobicContact CD2-CD1 4.23Å; L309-L366 HydrophobicContact CG-CD1 4.49Å; L309-L366 WeakPolarHBondContact O-CB 3.32Å; L309-L366 PolarHBondContact O-N 2.81Å; T311-L366 HydrophobicContact CG2-CD1 4.1Å; T311-L366 HydrophobicContact CG2-CD2 3.53Å; T311-L366 HydrophobicContact CG2-CG 3.71Å
367	W	97.7	Very high	89.1	Confident	10 Å²	10	71.5 Å²	71.5	4%	0.038	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	147.4	-175.4	165	73	0	0	0	111.2	Y83 L86 A105 V108 S109 W305 G308 L309 A369	Y83-W367 AromaticContact CD1-CD1 3.69Å; Y83-W367 AromaticContact CD1-NE1 3.1Å; Y83-W367 HydrophobicContact CD2-CZ2 4.35Å; Y83-W367 AromaticContact CD2-NE1 3.63Å; Y83-W367 HydrophobicContact CE1-CZ2 4.46Å; Y83-W367 AromaticContact CE1-NE1 3.2Å; Y83-W367 AromaticContact CE2-CZ2 3.91Å; Y83-W367 HydrophobicContact CE2-CZ2 3.91Å; Y83-W367 AromaticContact CE2-NE1 3.76Å; Y83-W367 AromaticContact CG-CD1 3.95Å; Y83-W367 AromaticContact CG-NE1 3.31Å; Y83-W367 VanDerWaalsContact CG-NE1 3.31Å; Y83-W367 AromaticContact CZ-CZ2 3.97Å; Y83-W367 AromaticContact CZ-NE1 3.56Å; L86-W367 HydrophobicContact CD1-CB 4.13Å; L86-W367 HydrophobicContact CD1-CG 4.08Å; L86-W367 HydrophobicContact CD2-CB 4.26Å; A105-W367 HydrophobicContact CB-CB 4.12Å; V108-W367 HydrophobicContact CG1-CZ3 4.43Å; S109-W367 VanDerWaalsContact CB-CE2 3.43Å; W305-W367 WeakPolarHBondContact O-CH2 3.4Å; G308-W367 CarbonylContact C-O 3.56Å; G308-W367 WeakPolarHBondContact CA-O 3.48Å; L309-W367 HydrophobicContact CB-CE3 4.17Å; L309-W367 PolarHBondContact N-O 3.44Å; L309-W367 PolarHBondContact O-N 3.49Å; W367-A369 HydrophobicContact CH2-CB 3.93Å; W367-A369 HydrophobicContact CZ2-CB 3.58Å
368	I	95.9	Very high	90.6	Very high	85 Å²	85	68.8 Å²	68.8	44%	0.436	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136	168.9	-61.8	-64.7	0	0	0	107.6	R307 F310 L356 C365	R307-I368 CarbonylContact O-C 3.6Å; R307-I368 WeakPolarHBondContact O-CA 3.42Å; F310-I368 HydrophobicContact CE1-CD1 4.44Å; F310-I368 HydrophobicContact CE2-CD1 4.42Å; F310-I368 HydrophobicContact CZ-CD1 3.78Å; L356-I368 HydrophobicContact CD2-CD1 4.28Å; C365-I368 WeakPolarHBondContact SG-CG1 3.43Å
369	A	95.9	Very high	92.1	Very high	19 Å²	19	66.6 Å²	66.6	16%	0.157	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-65.9	135	175.7	0	0	0	0	0	110.5	Y83 R307 W367	Y83-A369 WeakPolarHBondContact OH-CA 3.47Å; R307-A369 PolarHBondContact O-N 3.36Å; W367-A369 HydrophobicContact CH2-CB 3.93Å; W367-A369 HydrophobicContact CZ2-CB 3.58Å
370	T	95.3	Very high	93.2	Very high	75 Å²	75	62.6 Å²	62.6	46%	0.46	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-60.7	127.7	171.5	-57.6	0	0	0	0	108.8	Y83 K372	Y83-T370 PolarHBondContact OH-N 3.31Å; T370-K372 PolarHBondContact O-N 2.77Å
371	P	93.9	Very high	93.8	Very high	113 Å²	113	63.7 Å²	63.7	73%	0.734	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-55.2	133.4	175.9	-26.5	34.9	0	0	0	111.2
372	K	94.4	Very high	94.5	Very high	67 Å²	67	58.2 Å²	58.2	29%	0.291	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-65.7	147.7	176.6	-66.6	-173.2	179.9	-165.5	0	110.3	A115 T370 N381 T383	A115-K372 PolarHBondContact O-NZ 3.44Å; T370-K372 PolarHBondContact O-N 2.77Å; K372-N381 PolarHBondContact NZ-O 3.33Å; K372-T383 HydrophobicContact CG-CG2 4.47Å
373	P	94.5	Very high	95	Very high	23 Å²	23	54.7 Å²	54.7	15%	0.149	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-52.5	147	171	-26.7	35.4	0	0	0	111.7	N375 S376 Q384 M387	P373-N375 WeakPolarHBondContact CB-OD1 3.41Å; P373-N375 PolarHBondContact O-N 2.82Å; P373-N375 VanDerWaalsContact O-N 3.13Å; P373-S376 WeakPolarHBondContact O-CB 3.29Å; P373-S376 PolarHBondContact O-N 3.12Å; P373-S376 PolarHBondContact O-OG 3.06Å; P373-Q384 HydrophobicContact CG-CB 4.07Å; P373-M387 HydrophobicContact CB-CE 4.19Å; P373-M387 HydrophobicContact CG-CE 4.02Å; P373-M387 HydrophobicContact CG-SD 4.3Å
374	I	93.9	Very high	95.2	Very high	178 Å²	178	54.1 Å²	54.1	91%	0.913	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.9	-176.7	-161.9	158.4	0	0	0	112.8
375	N	93.2	Very high	95.3	Very high	50 Å²	50	50.3 Å²	50.3	27%	0.267	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	9.6	177.3	59.3	-2.1	0	0	0	113.3	P373 K377 D378 Y379	P373-N375 WeakPolarHBondContact CB-OD1 3.41Å; P373-N375 PolarHBondContact O-N 2.82Å; P373-N375 VanDerWaalsContact O-N 3.13Å; N375-K377 PolarHBondContact O-N 3.47Å; N375-D378 WeakPolarHBondContact O-CB 3.36Å; N375-D378 PolarHBondContact O-N 3.29Å; N375-Y379 HydrophobicContact CB-CD2 4.32Å; N375-Y379 HydrophobicContact CB-CE2 4.13Å; N375-Y379 WeakPolarHBondContact ND2-CE2 3.27Å; N375-Y379 WeakPolarHBondContact O-CD2 3.22Å; N375-Y379 PolarHBondContact O-N 2.91Å
376	S	95.1	Very high	95.4	Very high	12 Å²	12	47 Å²	47	8%	0.084	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-56.4	-35.2	-178.1	55.6	0	0	0	0	113.2	P373 D378 Y379 Y380 N381 F382	P373-S376 WeakPolarHBondContact O-CB 3.29Å; P373-S376 PolarHBondContact O-N 3.12Å; P373-S376 PolarHBondContact O-OG 3.06Å; S376-D378 PolarHBondContact O-N 3.43Å; S376-Y379 CarbonylContact O-C 3.41Å; S376-Y379 WeakPolarHBondContact O-CA 3.27Å; S376-Y379 PolarHBondContact O-N 3.12Å; S376-Y380 PolarHBondContact O-N 3.08Å; S376-N381 WeakPolarHBondContact O-CA 3.44Å; S376-N381 PolarHBondContact O-N 3.37Å; S376-F382 WeakPolarHBondContact CB-O 3.41Å
377	K	93.1	Very high	95.3	Very high	153 Å²	153	46.4 Å²	46.4	67%	0.665	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-61.5	-27.1	174.7	-70	179.9	-178.5	174.5	0	113.4	N375 Y379 N381	N375-K377 PolarHBondContact O-N 3.47Å; K377-Y379 VanDerWaalsContact C-N 3.28Å; K377-N381 WeakPolarHBondContact CA-OD1 3.48Å; K377-N381 WeakPolarHBondContact CG-OD1 3.14Å
378	D	94.8	Very high	95.1	Very high	41 Å²	41	46 Å²	46	22%	0.219	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-80.3	-13.3	174.3	-69.6	-17.3	0	0	0	112	K38 M39 N375 S376	K38-D378 CarbonylContact C-O 3.47Å; K38-D378 WeakPolarHBondContact CA-O 3.28Å; K38-D378 HydrophobicContact CB-CB 4.4Å; K38-D378 HydrophobicContact CD-CB 3.91Å; K38-D378 WeakPolarHBondContact CE-OD2 3.36Å; K38-D378 HydrophobicContact CG-CB 4.05Å; K38-D378 IonicContact NZ-OD2 3.65Å; K38-D378 PolarHBondContact NZ-OD2 3.09Å; M39-D378 PolarHBondContact N-O 2.56Å; N375-D378 WeakPolarHBondContact O-CB 3.36Å; N375-D378 PolarHBondContact O-N 3.29Å; S376-D378 PolarHBondContact O-N 3.43Å
379	Y	95.8	Very high	95.2	Very high	23 Å²	23	41.9 Å²	41.9	9%	0.09	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.4	55.4	-176.6	-60.3	-59	0	0	0	110.8	L35 C37 K38 N375 S376 K377 N381 F382 M387	L35-Y379 HydrophobicContact CB-CD1 3.6Å; L35-Y379 HydrophobicContact CB-CE1 3.84Å; L35-Y379 HydrophobicContact CB-CG 4.4Å; L35-Y379 HydrophobicContact CD1-CD1 3.95Å; L35-Y379 HydrophobicContact CD1-CG 4.37Å; L35-Y379 HydrophobicContact CG-CD1 3.8Å; L35-Y379 HydrophobicContact CG-CE1 4.49Å; L35-Y379 HydrophobicContact CG-CG 4.18Å; C37-Y379 WeakPolarHBondContact O-CE1 3.26Å; K38-Y379 HydrophobicContact CB-CE1 4.38Å; K38-Y379 HydrophobicContact CG-CE1 3.91Å; N375-Y379 HydrophobicContact CB-CD2 4.32Å; N375-Y379 HydrophobicContact CB-CE2 4.13Å; N375-Y379 WeakPolarHBondContact ND2-CE2 3.27Å; N375-Y379 WeakPolarHBondContact O-CD2 3.22Å; N375-Y379 PolarHBondContact O-N 2.91Å; S376-Y379 CarbonylContact O-C 3.41Å; S376-Y379 WeakPolarHBondContact O-CA 3.27Å; S376-Y379 PolarHBondContact O-N 3.12Å; K377-Y379 VanDerWaalsContact C-N 3.28Å; Y379-N381 PolarHBondContact O-N 3.05Å; Y379-F382 VanDerWaalsContact O-CB 3.27Å; Y379-F382 WeakPolarHBondContact O-CB 3.26Å; Y379-F382 WeakPolarHBondContact O-CG 3.49Å; Y379-F382 PolarHBondContact O-N 2.69Å; Y379-M387 HydrophobicContact CD2-CE 3.65Å; Y379-M387 HydrophobicContact CG-CE 4.09Å
380	Y	95.2	Very high	95.2	Very high	21 Å²	21	41 Å²	41	8%	0.082	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	24	172	-54.5	-92.4	0	0	0	114.9	L35 M39 E69 P70 S376 F382 F452	L35-Y380 HydrophobicContact CD1-CD2 4Å; L35-Y380 HydrophobicContact CD1-CE2 4.25Å; M39-Y380 HydrophobicContact CB-CD1 4.04Å; M39-Y380 HydrophobicContact CB-CD2 3.9Å; M39-Y380 HydrophobicContact CB-CE1 3.67Å; M39-Y380 HydrophobicContact CB-CE2 3.49Å; M39-Y380 VanDerWaalsContact CB-CE2 3.49Å; M39-Y380 HydrophobicContact CB-CG 4.15Å; M39-Y380 HydrophobicContact CE-CD1 4.03Å; M39-Y380 HydrophobicContact CE-CE1 4.12Å; M39-Y380 HydrophobicContact SD-CD1 4.42Å; E69-Y380 HydrophobicContact CB-CD1 4.02Å; E69-Y380 HydrophobicContact CB-CG 4.26Å; P70-Y380 VanDerWaalsContact CD-CE2 3.44Å; P70-Y380 HydrophobicContact CG-CD2 4.02Å; P70-Y380 HydrophobicContact CG-CE2 3.78Å; S376-Y380 PolarHBondContact O-N 3.08Å; Y380-F382 HydrophobicContact CG-CE1 4.42Å; Y380-F382 PolarHBondContact O-N 3.26Å; Y380-F452 HydrophobicContact CE1-CE1 4.12Å; Y380-F452 HydrophobicContact CE1-CZ 4.24Å; Y380-F452 AromaticContact CZ-CE1 3.94Å; Y380-F452 WeakPolarHBondContact OH-CE1 3.48Å; Y380-F452 WeakPolarHBondContact OH-CZ 3.37Å
381	N	95.4	Very high	95	Very high	42 Å²	42	38.8 Å²	38.8	23%	0.225	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	30.1	-172.9	-65.2	-57	0	0	0	114.2	G116 R117 K372 S376 K377 Y379	G116-N381 PolarHBondContact O-ND2 3.16Å; R117-N381 HydrophobicContact CG-CB 4.16Å; K372-N381 PolarHBondContact NZ-O 3.33Å; S376-N381 WeakPolarHBondContact O-CA 3.44Å; S376-N381 PolarHBondContact O-N 3.37Å; K377-N381 WeakPolarHBondContact CA-OD1 3.48Å; K377-N381 WeakPolarHBondContact CG-OD1 3.14Å; Y379-N381 PolarHBondContact O-N 3.05Å
382	F	97.2	Very high	94.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.166	C	C	.	.			trans	-66.1	144.8	177.8	-74.9	4.8	0	0	0	112.2	L35 E69 P70 L71 R117 S376 Y379 Y380 T386 M387	L35-F382 HydrophobicContact CD1-CD2 4.07Å; L35-F382 HydrophobicContact CD1-CE2 4.04Å; L35-F382 HydrophobicContact CD2-CD2 4.35Å; L35-F382 HydrophobicContact CD2-CE2 4.5Å; E69-F382 HydrophobicContact CB-CE1 4.04Å; E69-F382 HydrophobicContact CB-CZ 3.96Å; E69-F382 HydrophobicContact CG-CE1 4.41Å; E69-F382 HydrophobicContact CG-CZ 4.33Å; E69-F382 WeakPolarHBondContact OE2-CE1 3.48Å; P70-F382 HydrophobicContact CG-CE2 4.15Å; P70-F382 HydrophobicContact CG-CZ 4.24Å; L71-F382 HydrophobicContact CD1-CE1 4.25Å; L71-F382 HydrophobicContact CD1-CE2 3.93Å; L71-F382 HydrophobicContact CD1-CZ 3.64Å; L71-F382 HydrophobicContact CG-CE2 4.03Å; L71-F382 HydrophobicContact CG-CZ 3.82Å; R117-F382 VanDerWaalsContact NH2-CE1 3.34Å; S376-F382 WeakPolarHBondContact CB-O 3.41Å; Y379-F382 VanDerWaalsContact O-CB 3.27Å; Y379-F382 WeakPolarHBondContact O-CB 3.26Å; Y379-F382 WeakPolarHBondContact O-CG 3.49Å; Y379-F382 PolarHBondContact O-N 2.69Å; Y380-F382 HydrophobicContact CG-CE1 4.42Å; Y380-F382 PolarHBondContact O-N 3.26Å; F382-T386 HydrophobicContact CB-CG2 3.96Å; F382-T386 HydrophobicContact CD1-CG2 3.69Å; F382-T386 HydrophobicContact CD2-CG2 3.76Å; F382-T386 HydrophobicContact CE1-CG2 4.05Å; F382-T386 HydrophobicContact CE2-CG2 4.11Å; F382-T386 HydrophobicContact CG-CG2 3.52Å; F382-T386 HydrophobicContact CZ-CG2 4.24Å; F382-M387 HydrophobicContact CB-CE 4.48Å; F382-M387 HydrophobicContact CB-CG 3.87Å; F382-M387 HydrophobicContact CD2-CG 4.44Å
383	T	96.6	Very high	94.5	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.031	17%	0.167	C	C	.	.			trans	-74.9	168.7	165.3	78.8	0	0	0	0	109.6	E82 K372 Y385 T386 M387	E82-T383 WeakPolarHBondContact OE1-CB 3.46Å; E82-T383 PolarHBondContact OE1-OG1 3.04Å; K372-T383 HydrophobicContact CG-CG2 4.47Å; T383-Y385 PolarHBondContact O-N 3.29Å; T383-Y385 PolarHBondContact OG1-N 2.75Å; T383-T386 PolarHBondContact N-OG1 3.45Å; T383-T386 PolarHBondContact O-N 2.88Å; T383-T386 PolarHBondContact OG1-N 2.8Å; T383-T386 VanDerWaalsContact OG1-N 3.08Å; T383-T386 PolarHBondContact OG1-OG1 3.22Å; T383-M387 WeakPolarHBondContact O-CG 3.2Å; T383-M387 PolarHBondContact O-N 2.8Å
384	Q	95.2	Very high	94.1	Very high	49 Å²	49	33.9 Å²	33.9	23%	0.229	17%	0.168	C	C	.	.	H	α-helix	trans	-60.8	-34	174.2	-176.5	54.3	81	0	0	111.8	R32 K33 P373	R32-Q384 PolarHBondContact O-NE2 2.76Å; K33-Q384 VanDerWaalsContact CD-OE1 3.29Å; P373-Q384 HydrophobicContact CG-CB 4.07Å
385	Y	95.8	Very high	93.7	Very high	9 Å²	9	28.9 Å²	28.9	4%	0.035	14%	0.138	C	C	.	.	H	α-helix	trans	-68.1	-49.4	174.4	-178.6	-92.1	0	0	0	111.1	V30 A78 E82 L132 Y134 T383 M387 G388 L389	V30-Y385 HydrophobicContact CG1-CD2 3.97Å; V30-Y385 HydrophobicContact CG1-CG 4.32Å; V30-Y385 VanDerWaalsContact CG1-O 3.29Å; V30-Y385 WeakPolarHBondContact CG1-O 3.08Å; V30-Y385 HydrophobicContact CG2-CE2 4.47Å; A78-Y385 PolarHBondContact O-OH 3.18Å; A78-Y385 VanDerWaalsContact O-OH 3.08Å; E82-Y385 HydrophobicContact CB-CD1 3.83Å; E82-Y385 HydrophobicContact CB-CE1 4.16Å; E82-Y385 HydrophobicContact CB-CG 4Å; E82-Y385 HydrophobicContact CG-CD1 4.13Å; E82-Y385 HydrophobicContact CG-CD2 4.43Å; E82-Y385 HydrophobicContact CG-CG 3.86Å; E82-Y385 WeakPolarHBondContact OE1-CB 3.36Å; L132-Y385 WeakPolarHBondContact CD2-OH 3.29Å; Y134-Y385 HydrophobicContact CD1-CD2 4.49Å; Y134-Y385 AromaticContact CD1-CE2 3.71Å; Y134-Y385 HydrophobicContact CD1-CE2 3.71Å; Y134-Y385 HydrophobicContact CD2-CE2 4.46Å; Y134-Y385 AromaticContact CE1-CD2 3.98Å; Y134-Y385 HydrophobicContact CE1-CD2 3.98Å; Y134-Y385 AromaticContact CE1-CE2 3.62Å; Y134-Y385 HydrophobicContact CE1-CE2 3.62Å; Y134-Y385 HydrophobicContact CE2-CD2 4.49Å; Y134-Y385 HydrophobicContact CE2-CE2 4.42Å; Y134-Y385 HydrophobicContact CG-CE2 4.13Å; Y134-Y385 AromaticContact CZ-CD2 3.98Å; T383-Y385 PolarHBondContact O-N 3.29Å; T383-Y385 PolarHBondContact OG1-N 2.75Å; Y385-M387 VanDerWaalsContact C-N 3.28Å; Y385-M387 PolarHBondContact O-N 3.26Å; Y385-G388 PolarHBondContact O-N 2.82Å; Y385-L389 HydrophobicContact CD1-CD2 4.27Å; Y385-L389 HydrophobicContact CE1-CD1 4.46Å; Y385-L389 HydrophobicContact CE1-CD2 3.75Å; Y385-L389 HydrophobicContact CE1-CG 4.44Å
386	T	96.9	Very high	93	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-57.6	-41.1	178.9	-47.2	0	0	0	0	112	L71 E79 F382 T383 G388 L389	L71-T386 HydrophobicContact CD1-CG2 3.5Å; E79-T386 PolarHBondContact OE2-OG1 2.67Å; F382-T386 HydrophobicContact CB-CG2 3.96Å; F382-T386 HydrophobicContact CD1-CG2 3.69Å; F382-T386 HydrophobicContact CD2-CG2 3.76Å; F382-T386 HydrophobicContact CE1-CG2 4.05Å; F382-T386 HydrophobicContact CE2-CG2 4.11Å; F382-T386 HydrophobicContact CG-CG2 3.52Å; F382-T386 HydrophobicContact CZ-CG2 4.24Å; T383-T386 PolarHBondContact N-OG1 3.45Å; T383-T386 PolarHBondContact O-N 2.88Å; T383-T386 PolarHBondContact OG1-N 2.8Å; T383-T386 VanDerWaalsContact OG1-N 3.08Å; T383-T386 PolarHBondContact OG1-OG1 3.22Å; T386-G388 PolarHBondContact O-N 2.96Å; T386-G388 VanDerWaalsContact O-N 3.17Å; T386-L389 HydrophobicContact CG2-CD1 4.47Å; T386-L389 PolarHBondContact O-N 2.76Å
387	M	95.6	Very high	92	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-54.4	-37.3	177.9	-77.2	-178.8	-174.7	0	0	111.5	R32 P373 Y379 F382 T383 Y385	R32-M387 PolarHBondContact NE-O 2.91Å; R32-M387 PolarHBondContact NH2-O 2.9Å; P373-M387 HydrophobicContact CB-CE 4.19Å; P373-M387 HydrophobicContact CG-CE 4.02Å; P373-M387 HydrophobicContact CG-SD 4.3Å; Y379-M387 HydrophobicContact CD2-CE 3.65Å; Y379-M387 HydrophobicContact CG-CE 4.09Å; F382-M387 HydrophobicContact CB-CE 4.48Å; F382-M387 HydrophobicContact CB-CG 3.87Å; F382-M387 HydrophobicContact CD2-CG 4.44Å; T383-M387 WeakPolarHBondContact O-CG 3.2Å; T383-M387 PolarHBondContact O-N 2.8Å; Y385-M387 VanDerWaalsContact C-N 3.28Å; Y385-M387 PolarHBondContact O-N 3.26Å
388	G	94.4	Very high	90.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-84.4	-7.8	-174.1	0	0	0	0	0	116.4	Y385 T386 N390 E391	Y385-G388 PolarHBondContact O-N 2.82Å; T386-G388 PolarHBondContact O-N 2.96Å; T386-G388 VanDerWaalsContact O-N 3.17Å; G388-N390 PolarHBondContact O-N 3.11Å; G388-E391 VanDerWaalsContact O-CB 3.32Å; G388-E391 WeakPolarHBondContact O-CB 3.41Å; G388-E391 PolarHBondContact O-N 3.07Å
389	L	96.3	Very high	89.3	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-35.9	-172	-66.5	176.3	0	0	0	114	V30 L71 Q75 A78 E79 Y130 L132 Y385 T386 R444	V30-L389 HydrophobicContact CG2-CD2 4.18Å; L71-L389 HydrophobicContact CD2-CB 4.22Å; Q75-L389 HydrophobicContact CB-CB 4.46Å; Q75-L389 WeakPolarHBondContact O-CD1 3.48Å; A78-L389 HydrophobicContact CB-CD2 4.44Å; E79-L389 HydrophobicContact CG-CD1 3.56Å; Y130-L389 WeakPolarHBondContact CE2-O 3.46Å; Y130-L389 WeakPolarHBondContact OH-CD2 3.45Å; Y130-L389 PolarHBondContact OH-O 3.17Å; Y130-L389 VanDerWaalsContact OH-O 3.05Å; L132-L389 HydrophobicContact CD2-CD2 3.93Å; Y385-L389 HydrophobicContact CD1-CD2 4.27Å; Y385-L389 HydrophobicContact CE1-CD1 4.46Å; Y385-L389 HydrophobicContact CE1-CD2 3.75Å; Y385-L389 HydrophobicContact CE1-CG 4.44Å; T386-L389 HydrophobicContact CG2-CD1 4.47Å; T386-L389 PolarHBondContact O-N 2.76Å; L389-R444 PolarHBondContact O-NE 3.15Å; L389-R444 PolarHBondContact O-NH2 3.16Å
390	N	96	Very high	87.4	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	17	-178.7	-161.5	40.2	0	0	0	113.4	L71 Q75 G388 L392 R444 R450 E453	L71-N390 HydrophobicContact CD2-CB 3.8Å; Q75-N390 PolarHBondContact NE2-OD1 3.33Å; G388-N390 PolarHBondContact O-N 3.11Å; N390-L392 PolarHBondContact O-N 2.89Å; N390-R444 WeakPolarHBondContact OD1-CA 3.3Å; N390-R450 VanDerWaalsContact O-CZ 3.31Å; N390-R450 PolarHBondContact O-NH1 3.29Å; N390-R450 PolarHBondContact O-NH2 3.45Å; N390-E453 PolarHBondContact ND2-OE1 3.05Å
391	E	92.8	Very high	85.1	Confident	29 Å²	29	44.4 Å²	44.4	14%	0.136	23%	0.234	C	C	.	.			trans	-64	131.8	176.4	-176.4	169.4	-162.9	0	0	111.3	S31 R32 G388 R444	S31-E391 PolarHBondContact N-OE2 3.22Å; S31-E391 VanDerWaalsContact OG-CD 3.31Å; S31-E391 PolarHBondContact OG-OE1 3.22Å; S31-E391 PolarHBondContact OG-OE2 2.75Å; R32-E391 HydrophobicContact CB-CG 4.49Å; R32-E391 HydrophobicContact CG-CB 4.2Å; R32-E391 HydrophobicContact CG-CG 4.27Å; R32-E391 PolarHBondContact N-OE2 3.07Å; G388-E391 VanDerWaalsContact O-CB 3.32Å; G388-E391 WeakPolarHBondContact O-CB 3.41Å; G388-E391 PolarHBondContact O-N 3.07Å; E391-R444 VanDerWaalsContact O-CD 3.27Å; E391-R444 WeakPolarHBondContact O-CD 3.13Å; E391-R444 PolarHBondContact O-NE 2.92Å
392	L	90.5	Very high	82.5	Confident	14 Å²	14	47.5 Å²	47.5	7%	0.073	25%	0.251	C	S	.	.			trans	-135.4	114.1	176.3	-168.7	73.7	0	0	0	110.4	N390 P427 S432 Y434 R444 Y445	N390-L392 PolarHBondContact O-N 2.89Å; L392-P427 HydrophobicContact CB-CB 4.19Å; L392-P427 HydrophobicContact CD2-CB 3.86Å; L392-P427 HydrophobicContact CG-CB 4.33Å; L392-S432 WeakPolarHBondContact CD1-OG 3.48Å; L392-Y434 HydrophobicContact CD1-CD2 3.93Å; L392-R444 HydrophobicContact CD1-CB 3.95Å; L392-Y445 HydrophobicContact CD1-CD1 4.18Å; L392-Y445 HydrophobicContact CD1-CE1 3.6Å; L392-Y445 HydrophobicContact CD2-CD1 3.88Å; L392-Y445 HydrophobicContact CD2-CE1 3.91Å; L392-Y445 HydrophobicContact CG-CE1 4.39Å
393	T	87.1	Confident	79.5	Confident	51 Å²	51	54.6 Å²	54.6	31%	0.313	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-87.7	126.3	-174.7	-47.1	0	0	0	0	111.1	S432 I433 Y434	T393-S432 WeakPolarHBondContact O-CA 3.45Å; T393-I433 HydrophobicContact CG2-CD1 3.83Å; T393-I433 HydrophobicContact CG2-CG1 4.39Å; T393-I433 PolarHBondContact O-N 3.32Å; T393-Y434 PolarHBondContact OG1-OH 2.96Å
394	I	86.3	Confident	76.6	Confident	34 Å²	34	60.9 Å²	60.9	17%	0.174	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-84.2	146.5	178.5	-57.9	176	0	0	0	110.5	T398 V425 P427 N431	I394-T398 HydrophobicContact CG2-CG2 4.05Å; I394-V425 HydrophobicContact CD1-CG1 4.26Å; I394-P427 HydrophobicContact CD1-CB 4.07Å; I394-P427 HydrophobicContact CD1-CG 3.84Å; I394-P427 HydrophobicContact CG1-CB 3.96Å; I394-P427 HydrophobicContact CG1-CG 4.16Å; I394-N431 WeakPolarHBondContact CA-O 3.2Å; I394-N431 HydrophobicContact CG2-CB 4.14Å
395	R	84.3	Confident	73.5	Confident	73 Å²	73	63.7 Å²	63.7	28%	0.275	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-60.3	133.9	170.2	-68.8	172.7	-177.3	142.9	3	111.1	S397 T398 K430 N431 S432 I433 E435	R395-S397 PolarHBondContact O-N 3.16Å; R395-S397 VanDerWaalsContact O-N 3.12Å; R395-T398 WeakPolarHBondContact O-CB 3.29Å; R395-T398 PolarHBondContact O-N 3Å; R395-K430 PolarHBondContact NH1-O 3.23Å; R395-N431 PolarHBondContact N-O 3Å; R395-S432 VanDerWaalsContact CZ-O 3.32Å; R395-S432 PolarHBondContact NE-O 3.08Å; R395-S432 PolarHBondContact NH2-O 3.01Å; R395-I433 HydrophobicContact CB-CG2 4.47Å; R395-I433 HydrophobicContact CG-CG2 3.85Å; R395-E435 IonicContact CZ-OE2 3.51Å; R395-E435 IonicContact NH1-OE2 3.92Å; R395-E435 PolarHBondContact NH1-OE2 2.93Å; R395-E435 IonicContact NH2-OE2 3.8Å; R395-E435 PolarHBondContact NH2-OE2 2.91Å
396	K	78.2	Confident	70.5	Confident	183 Å²	183	70.9 Å²	70.9	80%	0.796	38%	0.38	S	S	*	.	H	α-helix	trans	-52.9	-37.4	177.8	-69.6	-174.8	178	-178.6	0	113.2	T398 I399 S400	K396-T398 PolarHBondContact O-N 2.61Å; K396-I399 PolarHBondContact O-N 3.31Å; K396-I399 VanDerWaalsContact O-N 3.09Å; K396-S400 PolarHBondContact O-N 2.84Å
397	S	74.1	Confident	67.3	Low	73 Å²	73	75 Å²	75	51%	0.51	41%	0.409	S	S	.	.	H	α-helix	trans	-62.2	-24	178.9	58.4	0	0	0	0	114	R395 I399 S400	R395-S397 PolarHBondContact O-N 3.16Å; R395-S397 VanDerWaalsContact O-N 3.12Å; S397-I399 VanDerWaalsContact C-N 3.34Å; S397-S400 WeakPolarHBondContact CA-OG 3.21Å; S397-S400 PolarHBondContact O-OG 2.74Å
398	T	67.5	Low	64.3	Low	43 Å²	43	84.1 Å²	84.1	26%	0.264	45%	0.452	S	S	.	.	H	α-helix	trans	-77.4	-24.5	177.7	-50.8	0	0	0	0	111.8	I394 R395 K396 V425 N431	I394-T398 HydrophobicContact CG2-CG2 4.05Å; R395-T398 WeakPolarHBondContact O-CB 3.29Å; R395-T398 PolarHBondContact O-N 3Å; K396-T398 PolarHBondContact O-N 2.61Å; T398-V425 HydrophobicContact CG2-CG1 4.06Å; T398-N431 HydrophobicContact CG2-CB 3.96Å
399	I	64	Low	61.1	Low	116 Å²	116	93 Å²	93	60%	0.595	49%	0.49	S	S	*	.	H	α-helix	trans	-82.5	-29.7	-180	-55.3	173.3	0	0	0	110.6	K396 S397 N401	K396-I399 PolarHBondContact O-N 3.31Å; K396-I399 VanDerWaalsContact O-N 3.09Å; S397-I399 VanDerWaalsContact C-N 3.34Å; I399-N401 PolarHBondContact O-N 2.91Å
400	S	55.3	Low	57.9	Low	77 Å²	77	100.6 Å²	100.6	54%	0.538	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	3.3	-174	54	0	0	0	0	115.8	K396 S397 D402	K396-S400 PolarHBondContact O-N 2.84Å; S397-S400 WeakPolarHBondContact CA-OG 3.21Å; S397-S400 PolarHBondContact O-OG 2.74Å; S400-D402 PolarHBondContact O-N 2.73Å
401	N	47.4	Very low	54.7	Low	134 Å²	134	106.8 Å²	106.8	72%	0.717	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	3.3	179.1	-88.5	-2.9	0	0	0	114.4	I399 N403	I399-N401 PolarHBondContact O-N 2.91Å; N401-N403 PolarHBondContact O-N 3.04Å
402	D	42	Very low	51.6	Low	108 Å²	108	110.3 Å²	110.3	58%	0.578	60%	0.602	S	S	*	*			trans	-79.7	77.5	162.4	-73.5	-12.4	0	0	0	108.9	S400 I404 H422	S400-D402 PolarHBondContact O-N 2.73Å; D402-I404 PolarHBondContact O-N 2.82Å; D402-H422 IonicContact OD2-ND1 3.79Å
403	N	32.5	Very low	48.6	Very low	149 Å²	149	116 Å²	116	80%	0.797	64%	0.637	S	S	*	*			trans	-65.3	83.1	161.8	-86.2	-25.2	0	0	0	108.4	N401 T405	N401-N403 PolarHBondContact O-N 3.04Å; N403-T405 PolarHBondContact O-N 3.26Å
404	I	35.8	Very low	45.8	Very low	137 Å²	137	121 Å²	121	70%	0.703	66%	0.66	S	S	*	*			trans	-67.6	107.2	158.3	-64.3	173.7	0	0	0	105.6	D402	D402-I404 PolarHBondContact O-N 2.82Å
405	T	31.6	Very low	43	Very low	107 Å²	107	128.6 Å²	128.6	66%	0.656	70%	0.697	S	S	*	*			trans	-61.8	131.7	164.3	35.4	0	0	0	0	108.3	N403 S407	N403-T405 PolarHBondContact O-N 3.26Å; T405-S407 PolarHBondContact O-N 2.91Å
406	D	32.2	Very low	40.4	Very low	161 Å²	161	130 Å²	130	86%	0.861	72%	0.718	S	S	*	*	S	Bend	trans	-67.8	42.9	178.9	-98.9	-33	0	0	0	113.2
407	S	30.1	Very low	38	Very low	86 Å²	86	128.9 Å²	128.9	60%	0.601	72%	0.721	S	S	*	*			trans	-130	50.6	-177.6	67.7	0	0	0	0	112.4	T405	T405-S407 PolarHBondContact O-N 2.91Å
408	Q	31.4	Very low	35.7	Very low	192 Å²	192	131.1 Å²	131.1	90%	0.897	74%	0.735	S	S	*	*			trans	-163.3	32.4	163.8	-113	168.1	24.3	0	0	115.6	N410	Q408-N410 PolarHBondContact O-N 3.5Å
409	K	28.6	Very low	33.8	Very low	187 Å²	187	134.6 Å²	134.6	81%	0.813	76%	0.756	S	S	*	*			trans	-85.4	85.3	160.6	-83.8	179.3	179.8	166.6	0	108.9
410	N	27.2	Very low	32.3	Very low	158 Å²	158	136.3 Å²	136.3	85%	0.845	77%	0.767	S	S	*	*			trans	177.3	88.9	150.9	-89.1	-16.3	0	0	0	110.7	Q408	Q408-N410 PolarHBondContact O-N 3.5Å
411	S	29.8	Very low	31.2	Very low	131 Å²	131	140.2 Å²	140.2	92%	0.916	78%	0.782	S	S	*	*			trans	-172	137.9	137.5	-94.3	0	0	0	0	111.5
412	S	27.4	Very low	30.9	Very low	102 Å²	102	139.7 Å²	139.7	71%	0.713	78%	0.775	S	S	*	*			trans	-72.7	143.6	-171.4	48.3	0	0	0	0	114.9
413	V	28	Very low	31.5	Very low	133 Å²	133	144.3 Å²	144.3	81%	0.806	79%	0.79	S	S	*	*			trans	52.2	111.2	137.4	-174.3	0	0	0	0	117.7
414	I	28.8	Very low	33.2	Very low	158 Å²	158	144.6 Å²	144.6	81%	0.81	79%	0.786	S	S	*	*			trans	-163.8	131.5	132.1	-91	145.5	0	0	0	108
415	M	27	Very low	35.5	Very low	193 Å²	193	141.4 Å²	141.4	95%	0.951	77%	0.773	S	S	*	*			trans	-65.4	126.7	170	-71.6	-179	-164.1	0	0	110.5
416	S	28.9	Very low	38.2	Very low	103 Å²	103	139.6 Å²	139.6	72%	0.72	76%	0.759	S	S	*	*			trans	-151.2	123.8	154.9	59.5	0	0	0	0	110.4
417	N	27.9	Very low	40.9	Very low	158 Å²	158	133 Å²	133	85%	0.845	73%	0.725	S	S	*	*			trans	-58.1	143	175	-74.5	-32.3	0	0	0	112.1
418	C	26.8	Very low	43.9	Very low	121 Å²	121	131.3 Å²	131.3	82%	0.818	71%	0.712	S	S	*	*	S	Bend	trans	66	76.8	161.3	-57.7	0	0	0	0	117.4
419	T	27.9	Very low	46.7	Very low	115 Å²	115	125 Å²	125	71%	0.706	68%	0.683	S	S	*	*			trans	-169.3	77.1	143	39.5	0	0	0	0	110.5	N421	T419-N421 PolarHBondContact O-N 3.29Å
420	N	32.3	Very low	49.7	Very low	153 Å²	153	124.1 Å²	124.1	82%	0.818	68%	0.679	S	S	*	*			trans	-79.4	96.2	158.7	-89.5	-8.5	0	0	0	108	H422	N420-H422 PolarHBondContact O-N 2.97Å
421	N	31.1	Very low	52.8	Low	159 Å²	159	117.3 Å²	117.3	85%	0.85	64%	0.642	S	S	*	*			trans	-70.9	33.2	171.6	-100.7	-14.1	0	0	0	113.2	T419 K423	T419-N421 PolarHBondContact O-N 3.29Å; N421-K423 PolarHBondContact O-N 3.11Å
422	H	41.5	Very low	55.6	Low	123 Å²	123	111 Å²	111	57%	0.569	60%	0.599	S	S	*	*			trans	-78.4	106.9	159.1	-78.2	-72.3	0	0	0	106.2	D402 N420 E424	D402-H422 IonicContact OD2-ND1 3.79Å; N420-H422 PolarHBondContact O-N 2.97Å; H422-E424 PolarHBondContact O-N 2.97Å
423	K	53.9	Low	58.6	Low	204 Å²	204	109.5 Å²	109.5	89%	0.887	58%	0.582	S	S	*	*			trans	-62.1	90.4	164.3	-85.2	-176.2	176.8	178.6	0	106.8	N421 V425	N421-K423 PolarHBondContact O-N 3.11Å; K423-V425 PolarHBondContact O-N 3.05Å; K423-V425 VanDerWaalsContact O-N 3.09Å
424	E	69.2	Low	61.5	Low	155 Å²	155	103.7 Å²	103.7	72%	0.724	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-57.1	118.3	-179.9	-142.9	176	-162.7	0	0	107.8	H422 I426	H422-E424 PolarHBondContact O-N 2.97Å; E424-I426 PolarHBondContact O-N 3.45Å; E424-I426 VanDerWaalsContact O-N 3.12Å
425	V	83.8	Confident	64.3	Low	71 Å²	71	99 Å²	99	43%	0.43	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-64.3	116.8	-175.1	175.5	0	0	0	0	108.4	I394 T398 K423 P427 N431	I394-V425 HydrophobicContact CD1-CG1 4.26Å; T398-V425 HydrophobicContact CG2-CG1 4.06Å; K423-V425 PolarHBondContact O-N 3.05Å; K423-V425 VanDerWaalsContact O-N 3.09Å; V425-P427 VanDerWaalsContact O-CD 3.32Å; V425-P427 WeakPolarHBondContact O-CD 3.38Å; V425-N431 WeakPolarHBondContact CG1-ND2 3.27Å
426	I	88.2	Confident	67.2	Low	68 Å²	68	97 Å²	97	35%	0.349	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-68.6	121.6	177.2	-62.7	164.1	0	0	0	108.9	E424 C428 N431 R450 L451 M454 L456	E424-I426 PolarHBondContact O-N 3.45Å; E424-I426 VanDerWaalsContact O-N 3.12Å; I426-C428 PolarHBondContact O-N 2.83Å; I426-N431 PolarHBondContact O-ND2 3.18Å; I426-R450 HydrophobicContact CG2-CG 3.8Å; I426-L451 HydrophobicContact CD1-CD2 3.65Å; I426-M454 HydrophobicContact CB-CE 4.46Å; I426-M454 HydrophobicContact CB-SD 4.07Å; I426-M454 HydrophobicContact CG1-CE 3.83Å; I426-M454 HydrophobicContact CG1-SD 3.81Å; I426-M454 HydrophobicContact CG2-SD 3.8Å; I426-L456 HydrophobicContact CD1-CD1 4.02Å; I426-L456 HydrophobicContact CG1-CD1 4.5Å
427	P	89.7	Confident	70	Confident	24 Å²	24	95.9 Å²	95.9	16%	0.156	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-59.3	131.1	173.6	-17.7	26.2	0	0	0	111.3	L392 I394 V425	L392-P427 HydrophobicContact CB-CB 4.19Å; L392-P427 HydrophobicContact CD2-CB 3.86Å; L392-P427 HydrophobicContact CG-CB 4.33Å; I394-P427 HydrophobicContact CD1-CB 4.07Å; I394-P427 HydrophobicContact CD1-CG 3.84Å; I394-P427 HydrophobicContact CG1-CB 3.96Å; I394-P427 HydrophobicContact CG1-CG 4.16Å; V425-P427 VanDerWaalsContact O-CD 3.32Å; V425-P427 WeakPolarHBondContact O-CD 3.38Å
428	C	92	Very high	73.1	Confident	49 Å²	49	88.4 Å²	88.4	33%	0.331	45%	0.451	S	S	.	.			trans	-148.6	-179.9	178.4	72.5	0	0	0	0	110.8	I426 K430 N431 S432	I426-C428 PolarHBondContact O-N 2.83Å; C428-K430 PolarHBondContact O-N 3.14Å; C428-N431 PolarHBondContact N-OD1 2.96Å; C428-N431 PolarHBondContact O-OD1 3.26Å; C428-S432 VanDerWaalsContact O-CB 3.24Å; C428-S432 WeakPolarHBondContact O-CB 3.41Å; C428-S432 PolarHBondContact O-N 3.39Å
429	Q	91.1	Very high	76.4	Confident	61 Å²	61	82.7 Å²	82.7	29%	0.285	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-56.4	-48.3	179.7	-175.2	-179.2	7.2	0	0	112.9	N431 S432 E435 Y445	Q429-N431 VanDerWaalsContact C-N 3.29Å; Q429-N431 PolarHBondContact O-N 3.03Å; Q429-S432 WeakPolarHBondContact O-CB 3.24Å; Q429-S432 PolarHBondContact O-N 2.89Å; Q429-E435 HydrophobicContact CG-CG 4.13Å; Q429-E435 WeakPolarHBondContact O-CB 3.39Å; Q429-Y445 VanDerWaalsContact CA-CD1 3.48Å; Q429-Y445 VanDerWaalsContact CA-CE1 3.41Å; Q429-Y445 HydrophobicContact CB-CD1 3.74Å; Q429-Y445 HydrophobicContact CB-CD2 4.06Å; Q429-Y445 HydrophobicContact CB-CE1 3.91Å; Q429-Y445 HydrophobicContact CB-CE2 4.21Å; Q429-Y445 HydrophobicContact CB-CG 3.81Å; Q429-Y445 HydrophobicContact CG-CD1 4.41Å; Q429-Y445 HydrophobicContact CG-CD2 4.07Å; Q429-Y445 HydrophobicContact CG-CE1 4.22Å; Q429-Y445 HydrophobicContact CG-CE2 3.86Å; Q429-Y445 HydrophobicContact CG-CG 4.34Å
430	K	90.8	Very high	79.7	Confident	167 Å²	167	79 Å²	79	73%	0.726	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-66.9	-25.9	-171.5	-63.7	-178.9	-179.4	178.2	0	114.2	R395 C428	R395-K430 PolarHBondContact NH1-O 3.23Å; C428-K430 PolarHBondContact O-N 3.14Å
431	N	92.2	Very high	82.8	Confident	15 Å²	15	71.7 Å²	71.7	8%	0.08	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-105.4	-1	-179.9	67	11.9	0	0	0	113.2	I394 R395 T398 V425 I426 C428 Q429	I394-N431 WeakPolarHBondContact CA-O 3.2Å; I394-N431 HydrophobicContact CG2-CB 4.14Å; R395-N431 PolarHBondContact N-O 3Å; T398-N431 HydrophobicContact CG2-CB 3.96Å; V425-N431 WeakPolarHBondContact CG1-ND2 3.27Å; I426-N431 PolarHBondContact O-ND2 3.18Å; C428-N431 PolarHBondContact N-OD1 2.96Å; C428-N431 PolarHBondContact O-OD1 3.26Å; Q429-N431 VanDerWaalsContact C-N 3.29Å; Q429-N431 PolarHBondContact O-N 3.03Å
432	S	89.9	Confident	86	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-77.1	143.1	-179.7	173.9	0	0	0	0	112.2	L392 T393 R395 C428 Q429 Y434 E435	L392-S432 WeakPolarHBondContact CD1-OG 3.48Å; T393-S432 WeakPolarHBondContact O-CA 3.45Å; R395-S432 VanDerWaalsContact CZ-O 3.32Å; R395-S432 PolarHBondContact NE-O 3.08Å; R395-S432 PolarHBondContact NH2-O 3.01Å; C428-S432 VanDerWaalsContact O-CB 3.24Å; C428-S432 WeakPolarHBondContact O-CB 3.41Å; C428-S432 PolarHBondContact O-N 3.39Å; Q429-S432 WeakPolarHBondContact O-CB 3.24Å; Q429-S432 PolarHBondContact O-N 2.89Å; S432-Y434 PolarHBondContact O-N 3.21Å; S432-Y434 WeakPolarHBondContact OG-CA 3.46Å; S432-Y434 WeakPolarHBondContact OG-CB 3.25Å; S432-Y434 WeakPolarHBondContact OG-CD2 3.33Å; S432-Y434 PolarHBondContact OG-N 2.88Å; S432-E435 PolarHBondContact O-N 3.38Å
433	I	89.2	Confident	88.7	Confident	70 Å²	70	58.3 Å²	58.3	36%	0.359	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.7	167.4	67.6	175.3	0	0	0	112.1	T393 R395	T393-I433 HydrophobicContact CG2-CD1 3.83Å; T393-I433 HydrophobicContact CG2-CG1 4.39Å; T393-I433 PolarHBondContact O-N 3.32Å; R395-I433 HydrophobicContact CB-CG2 4.47Å; R395-I433 HydrophobicContact CG-CG2 3.85Å
434	Y	88.9	Confident	90.7	Very high	11 Å²	11	48.6 Å²	48.6	4%	0.043	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	2.7	-177	-51.2	-65	0	0	0	114.3	F27 W29 L392 T393 S432 Q436 F437 L438 Y445	F27-Y434 HydrophobicContact CD1-CD1 4.07Å; F27-Y434 HydrophobicContact CD1-CE1 4.02Å; W29-Y434 HydrophobicContact CE3-CE2 4.37Å; W29-Y434 AromaticContact CH2-CD1 3.52Å; W29-Y434 HydrophobicContact CH2-CD1 3.52Å; W29-Y434 AromaticContact CH2-CD2 3.37Å; W29-Y434 HydrophobicContact CH2-CD2 3.37Å; W29-Y434 AromaticContact CH2-CE1 3.67Å; W29-Y434 HydrophobicContact CH2-CE1 3.67Å; W29-Y434 AromaticContact CH2-CE2 3.5Å; W29-Y434 HydrophobicContact CH2-CE2 3.5Å; W29-Y434 VanDerWaalsContact CH2-CE2 3.5Å; W29-Y434 AromaticContact CH2-CG 3.37Å; W29-Y434 HydrophobicContact CH2-CG 3.37Å; W29-Y434 AromaticContact CH2-CZ 3.65Å; W29-Y434 AromaticContact CZ2-CD1 3.68Å; W29-Y434 HydrophobicContact CZ2-CD1 3.68Å; W29-Y434 HydrophobicContact CZ2-CD2 4.35Å; W29-Y434 AromaticContact CZ2-CE1 3.75Å; W29-Y434 HydrophobicContact CZ2-CE1 3.75Å; W29-Y434 HydrophobicContact CZ2-CE2 4.39Å; W29-Y434 AromaticContact CZ2-CG 3.99Å; W29-Y434 HydrophobicContact CZ2-CG 3.99Å; W29-Y434 HydrophobicContact CZ3-CD1 4.45Å; W29-Y434 AromaticContact CZ3-CD2 3.73Å; W29-Y434 HydrophobicContact CZ3-CD2 3.73Å; W29-Y434 HydrophobicContact CZ3-CE1 4.27Å; W29-Y434 AromaticContact CZ3-CE2 3.48Å; W29-Y434 HydrophobicContact CZ3-CE2 3.48Å; W29-Y434 VanDerWaalsContact CZ3-CE2 3.48Å; W29-Y434 HydrophobicContact CZ3-CG 4.2Å; W29-Y434 AromaticContact CZ3-CZ 3.78Å; L392-Y434 HydrophobicContact CD1-CD2 3.93Å; T393-Y434 PolarHBondContact OG1-OH 2.96Å; S432-Y434 PolarHBondContact O-N 3.21Å; S432-Y434 WeakPolarHBondContact OG-CA 3.46Å; S432-Y434 WeakPolarHBondContact OG-CB 3.25Å; S432-Y434 WeakPolarHBondContact OG-CD2 3.33Å; S432-Y434 PolarHBondContact OG-N 2.88Å; Y434-Q436 VanDerWaalsContact C-N 3.25Å; Y434-Q436 PolarHBondContact O-N 3.38Å; Y434-Q436 VanDerWaalsContact O-N 3.13Å; Y434-F437 PolarHBondContact O-N 3.1Å; Y434-L438 PolarHBondContact O-N 3.45Å; Y434-Y445 VanDerWaalsContact C-OH 3.24Å; Y434-Y445 PolarHBondContact O-OH 2.68Å
435	E	88.4	Confident	92.1	Very high	59 Å²	59	42 Å²	42	28%	0.276	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-40.8	-173.5	-178.1	172.8	-154.9	0	0	114.1	R395 Q429 S432 Y445	R395-E435 IonicContact CZ-OE2 3.51Å; R395-E435 IonicContact NH1-OE2 3.92Å; R395-E435 PolarHBondContact NH1-OE2 2.93Å; R395-E435 IonicContact NH2-OE2 3.8Å; R395-E435 PolarHBondContact NH2-OE2 2.91Å; Q429-E435 HydrophobicContact CG-CG 4.13Å; Q429-E435 WeakPolarHBondContact O-CB 3.39Å; S432-E435 PolarHBondContact O-N 3.38Å; E435-Y445 PolarHBondContact N-OH 3.48Å
436	Q	86.8	Confident	92.7	Very high	151 Å²	151	38.8 Å²	38.8	71%	0.706	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-17.5	-179.7	-63.4	178.5	0.1	0	0	112.8	Y434 W602	Y434-Q436 VanDerWaalsContact C-N 3.25Å; Y434-Q436 PolarHBondContact O-N 3.38Å; Y434-Q436 VanDerWaalsContact O-N 3.13Å; Q436-W602 PolarHBondContact O-NE1 3.18Å
437	F	89.1	Confident	93.2	Very high	80 Å²	80	36.9 Å²	36.9	35%	0.351	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-38.8	-172.1	-59.8	-76.2	0	0	0	112	F27 Y434 R600 W602	F27-F437 HydrophobicContact CE1-CB 4.09Å; F27-F437 AromaticContact CE1-CD1 3.63Å; F27-F437 HydrophobicContact CE1-CD1 3.63Å; F27-F437 AromaticContact CE1-CD2 3.8Å; F27-F437 HydrophobicContact CE1-CD2 3.8Å; F27-F437 AromaticContact CE1-CE1 3.94Å; F27-F437 HydrophobicContact CE1-CE1 3.94Å; F27-F437 HydrophobicContact CE1-CE2 4.08Å; F27-F437 AromaticContact CE1-CG 3.55Å; F27-F437 HydrophobicContact CE1-CG 3.55Å; F27-F437 HydrophobicContact CE1-CZ 4.15Å; F27-F437 AromaticContact CZ-CD1 3.57Å; F27-F437 HydrophobicContact CZ-CD1 3.57Å; F27-F437 HydrophobicContact CZ-CD2 4.49Å; F27-F437 AromaticContact CZ-CE1 3.67Å; F27-F437 HydrophobicContact CZ-CE1 3.67Å; F27-F437 HydrophobicContact CZ-CG 4.01Å; F27-F437 HydrophobicContact CZ-CZ 4.17Å; Y434-F437 PolarHBondContact O-N 3.1Å; F437-R600 WeakPolarHBondContact O-CD 3.35Å; F437-R600 PolarHBondContact O-NH1 3.1Å; F437-W602 WeakPolarHBondContact O-CZ2 3.25Å
438	L	93.2	Very high	93.6	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	18%	0.175	C	C	.	.	S	Bend	trans	-95.7	145.8	178	-67.8	179.9	0	0	0	111.3	W29 E131 Y434 D442 Y445	W29-L438 HydrophobicContact CH2-CD1 3.48Å; W29-L438 VanDerWaalsContact CH2-CD1 3.48Å; W29-L438 HydrophobicContact CH2-CD2 4.34Å; W29-L438 HydrophobicContact CH2-CG 4.08Å; W29-L438 HydrophobicContact CZ2-CD1 4.1Å; W29-L438 HydrophobicContact CZ2-CD2 4.12Å; W29-L438 HydrophobicContact CZ2-CG 4.24Å; W29-L438 HydrophobicContact CZ3-CD1 4.3Å; E131-L438 HydrophobicContact CB-CD2 3.8Å; E131-L438 HydrophobicContact CG-CD2 4.32Å; Y434-L438 PolarHBondContact O-N 3.45Å; L438-D442 HydrophobicContact CB-CB 4.12Å; L438-D442 HydrophobicContact CD1-CB 4.24Å; L438-Y445 HydrophobicContact CB-CE2 3.81Å; L438-Y445 HydrophobicContact CD1-CE2 4.48Å
439	P	95.7	Very high	93.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.159	C	C	.	.			trans	-64.1	153.6	172.3	29.5	-36.1	0	0	0	110.9	T129 T441 D442 Y445 Y597 W602	T129-P439 VanDerWaalsContact OG1-CG 3.27Å; T129-P439 WeakPolarHBondContact OG1-CG 3.09Å; P439-T441 PolarHBondContact O-N 3.01Å; P439-D442 HydrophobicContact CG-CB 4.3Å; P439-D442 WeakPolarHBondContact O-CB 3.25Å; P439-D442 PolarHBondContact O-N 2.83Å; P439-Y445 WeakPolarHBondContact O-CD2 3.42Å; P439-Y445 WeakPolarHBondContact O-CE2 3.38Å; P439-Y597 WeakPolarHBondContact CD-OH 3.47Å; P439-Y597 HydrophobicContact CG-CE2 4.04Å; P439-Y597 WeakPolarHBondContact CG-OH 3.48Å; P439-W602 HydrophobicContact CB-CD2 3.9Å; P439-W602 HydrophobicContact CB-CE3 3.9Å; P439-W602 HydrophobicContact CB-CG 4.31Å; P439-W602 HydrophobicContact CB-CZ3 4.26Å
440	P	96.7	Very high	94.1	Very high	37 Å²	37	30.9 Å²	30.9	24%	0.24	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-14.9	174.3	25.9	-34.7	0	0	0	113.2	C605 Y609	P440-C605 HydrophobicContact CG-CB 3.61Å; P440-Y609 WeakPolarHBondContact O-CD2 3.4Å; P440-Y609 WeakPolarHBondContact O-CE2 3.45Å
441	T	97.6	Very high	94.4	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	4.4	176.8	61	0	0	0	0	114.1	T129 P439 C605 P606 L608 Y609	T129-T441 WeakPolarHBondContact CG2-OG1 3.41Å; T129-T441 PolarHBondContact N-O 2.88Å; T129-T441 PolarHBondContact OG1-O 3.17Å; T129-T441 PolarHBondContact OG1-OG1 2.97Å; P439-T441 PolarHBondContact O-N 3.01Å; T441-C605 HydrophobicContact CG2-CB 4.19Å; T441-P606 HydrophobicContact CG2-CG 3.9Å; T441-P606 VanDerWaalsContact CG2-O 3.3Å; T441-P606 WeakPolarHBondContact CG2-O 3.49Å; T441-L608 HydrophobicContact CG2-CD1 3.53Å; T441-L608 HydrophobicContact CG2-CG 3.85Å; T441-Y609 PolarHBondContact O-OH 3.41Å
442	D	97.9	Very high	94.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-66.7	135.4	177.8	-170.5	-86.3	0	0	0	111.2	T129 Y130 E131 L438 P439 R444 Y445 Y609	T129-D442 CarbonylContact O-C 3.58Å; T129-D442 WeakPolarHBondContact O-CA 3.47Å; Y130-D442 WeakPolarHBondContact CA-OD2 3.38Å; E131-D442 PolarHBondContact N-OD2 3.15Å; L438-D442 HydrophobicContact CB-CB 4.12Å; L438-D442 HydrophobicContact CD1-CB 4.24Å; P439-D442 HydrophobicContact CG-CB 4.3Å; P439-D442 WeakPolarHBondContact O-CB 3.25Å; P439-D442 PolarHBondContact O-N 2.83Å; D442-R444 PolarHBondContact O-N 3.44Å; D442-R444 WeakPolarHBondContact OD1-CB 3.45Å; D442-R444 VanDerWaalsContact OD1-CG 3.31Å; D442-R444 WeakPolarHBondContact OD1-CG 3.27Å; D442-R444 PolarHBondContact OD1-N 3.34Å; D442-R444 IonicContact OD1-NH1 3.62Å; D442-R444 PolarHBondContact OD1-NH1 2.81Å; D442-R444 IonicContact OD2-NH1 3.37Å; D442-R444 PolarHBondContact OD2-NH1 2.74Å; D442-Y445 HydrophobicContact CB-CD2 4.14Å; D442-Y445 HydrophobicContact CB-CE2 4.33Å; D442-Y445 WeakPolarHBondContact O-CB 3.46Å; D442-Y445 PolarHBondContact O-N 2.83Å; D442-Y609 WeakPolarHBondContact O-CE2 3.48Å; D442-Y609 PolarHBondContact O-OH 3.31Å
443	S	98.2	Very high	94.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-54.7	-25.7	-176.1	-60	0	0	0	0	113.8	E128 T129 Y445 R446	E128-S443 PolarHBondContact OE1-OG 2.91Å; E128-S443 VanDerWaalsContact OE1-OG 3.07Å; T129-S443 PolarHBondContact O-N 2.9Å; T129-S443 PolarHBondContact O-OG 3.42Å; S443-Y445 PolarHBondContact O-N 2.92Å; S443-R446 WeakPolarHBondContact O-CB 3.45Å; S443-R446 PolarHBondContact O-N 3.41Å; S443-R446 VanDerWaalsContact O-N 3.16Å
444	R	96.6	Very high	95.1	Very high	1 Å²	1	21.5 Å²	21.5	0%	0.004	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-67.1	-23	177.2	-65.9	174.9	-174.4	87.6	-4.5	113.8	W29 Y130 E131 L389 N390 E391 L392 D442 R450	W29-R444 VanDerWaalsContact CE3-CZ 3.49Å; W29-R444 VanDerWaalsContact CZ3-CZ 3.47Å; Y130-R444 VanDerWaalsContact CE2-NH1 3.33Å; Y130-R444 VanDerWaalsContact CE2-NH2 3.25Å; Y130-R444 PolarHBondContact OH-NH2 2.96Å; E131-R444 VanDerWaalsContact O-CZ 3.29Å; E131-R444 PolarHBondContact O-NH1 3.45Å; E131-R444 PolarHBondContact O-NH2 2.7Å; L389-R444 PolarHBondContact O-NE 3.15Å; L389-R444 PolarHBondContact O-NH2 3.16Å; N390-R444 WeakPolarHBondContact OD1-CA 3.3Å; E391-R444 VanDerWaalsContact O-CD 3.27Å; E391-R444 WeakPolarHBondContact O-CD 3.13Å; E391-R444 PolarHBondContact O-NE 2.92Å; L392-R444 HydrophobicContact CD1-CB 3.95Å; D442-R444 PolarHBondContact O-N 3.44Å; D442-R444 WeakPolarHBondContact OD1-CB 3.45Å; D442-R444 VanDerWaalsContact OD1-CG 3.31Å; D442-R444 WeakPolarHBondContact OD1-CG 3.27Å; D442-R444 PolarHBondContact OD1-N 3.34Å; D442-R444 IonicContact OD1-NH1 3.62Å; D442-R444 PolarHBondContact OD1-NH1 2.81Å; D442-R444 IonicContact OD2-NH1 3.37Å; D442-R444 PolarHBondContact OD2-NH1 2.74Å; R444-R450 PolarHBondContact O-NH2 3.19Å
445	Y	97.4	Very high	95.4	Very high	16 Å²	16	22.1 Å²	22.1	6%	0.063	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-89.3	-4.4	177	-57.5	-38.4	0	0	0	112.9	L392 Q429 Y434 E435 L438 P439 D442 S443 P447	L392-Y445 HydrophobicContact CD1-CD1 4.18Å; L392-Y445 HydrophobicContact CD1-CE1 3.6Å; L392-Y445 HydrophobicContact CD2-CD1 3.88Å; L392-Y445 HydrophobicContact CD2-CE1 3.91Å; L392-Y445 HydrophobicContact CG-CE1 4.39Å; Q429-Y445 VanDerWaalsContact CA-CD1 3.48Å; Q429-Y445 VanDerWaalsContact CA-CE1 3.41Å; Q429-Y445 HydrophobicContact CB-CD1 3.74Å; Q429-Y445 HydrophobicContact CB-CD2 4.06Å; Q429-Y445 HydrophobicContact CB-CE1 3.91Å; Q429-Y445 HydrophobicContact CB-CE2 4.21Å; Q429-Y445 HydrophobicContact CB-CG 3.81Å; Q429-Y445 HydrophobicContact CG-CD1 4.41Å; Q429-Y445 HydrophobicContact CG-CD2 4.07Å; Q429-Y445 HydrophobicContact CG-CE1 4.22Å; Q429-Y445 HydrophobicContact CG-CE2 3.86Å; Q429-Y445 HydrophobicContact CG-CG 4.34Å; Y434-Y445 VanDerWaalsContact C-OH 3.24Å; Y434-Y445 PolarHBondContact O-OH 2.68Å; E435-Y445 PolarHBondContact N-OH 3.48Å; L438-Y445 HydrophobicContact CB-CE2 3.81Å; L438-Y445 HydrophobicContact CD1-CE2 4.48Å; P439-Y445 WeakPolarHBondContact O-CD2 3.42Å; P439-Y445 WeakPolarHBondContact O-CE2 3.38Å; D442-Y445 HydrophobicContact CB-CD2 4.14Å; D442-Y445 HydrophobicContact CB-CE2 4.33Å; D442-Y445 WeakPolarHBondContact O-CB 3.46Å; D442-Y445 PolarHBondContact O-N 2.83Å; S443-Y445 PolarHBondContact O-N 2.92Å; Y445-P447 WeakPolarHBondContact O-CD 3.26Å
446	R	98.1	Very high	95.7	Very high	3 Å²	3	22.2 Å²	22.2	1%	0.011	12%	0.116	C	C	.	.			trans	-71.4	115.9	-178.4	-164.7	178.5	153.5	163.3	-0.4	110.9	N123 E128 S443 D448 I449 R450 L467 Y609	N123-R446 PolarHBondContact O-NH1 2.77Å; E128-R446 IonicContact OE1-NH1 2.68Å; E128-R446 WeakPolarHBondContact OE2-CD 3.49Å; E128-R446 IonicContact OE2-CZ 3.33Å; E128-R446 IonicContact OE2-NE 3.61Å; E128-R446 IonicContact OE2-NH1 3.05Å; E128-R446 PolarHBondContact OE2-NH1 2.85Å; S443-R446 WeakPolarHBondContact O-CB 3.45Å; S443-R446 PolarHBondContact O-N 3.41Å; S443-R446 VanDerWaalsContact O-N 3.16Å; R446-D448 WeakPolarHBondContact CD-OD1 3.49Å; R446-D448 WeakPolarHBondContact CG-OD1 3.19Å; R446-D448 IonicContact CZ-OD1 3.41Å; R446-D448 IonicContact CZ-OD2 3.77Å; R446-D448 IonicContact NE-OD1 2.77Å; R446-D448 PolarHBondContact NE-OD1 2.87Å; R446-D448 IonicContact NE-OD2 2.79Å; R446-D448 PolarHBondContact NE-OD2 2.61Å; R446-D448 IonicContact NH2-OD1 3.69Å; R446-D448 IonicContact NH2-OD2 3.92Å; R446-D448 PolarHBondContact NH2-OD2 2.94Å; R446-I449 HydrophobicContact CB-CD1 4.25Å; R446-I449 HydrophobicContact CB-CG1 4.34Å; R446-I449 HydrophobicContact CG-CD1 4.33Å; R446-I449 HydrophobicContact CG-CG1 4.26Å; R446-I449 PolarHBondContact O-N 2.66Å; R446-R450 PolarHBondContact O-N 2.79Å; R446-L467 HydrophobicContact CG-CD1 4.09Å; R446-Y609 HydrophobicContact CB-CD1 4.29Å; R446-Y609 HydrophobicContact CB-CE1 3.69Å; R446-Y609 HydrophobicContact CB-CE2 4.2Å; R446-Y609 HydrophobicContact CG-CD1 3.88Å; R446-Y609 HydrophobicContact CG-CE1 3.43Å; R446-Y609 VanDerWaalsContact CG-CE1 3.43Å
447	P	97.6	Very high	96	Very high	28 Å²	28	16.7 Å²	16.7	18%	0.182	9%	0.091	C	C	.	.	H	α-helix	trans	-71.7	-37.2	-164.1	24.9	-34.1	0	0	0	114.3	Y445 I449 R450 L451 E463 L467	Y445-P447 WeakPolarHBondContact O-CD 3.26Å; P447-I449 VanDerWaalsContact C-N 3.32Å; P447-I449 PolarHBondContact O-N 2.83Å; P447-R450 PolarHBondContact O-N 3.23Å; P447-L451 WeakPolarHBondContact O-CB 3.36Å; P447-L451 VanDerWaalsContact O-CG 3.25Å; P447-L451 WeakPolarHBondContact O-CG 3.49Å; P447-L451 PolarHBondContact O-N 2.91Å; P447-E463 HydrophobicContact CB-CG 4.42Å; P447-E463 VanDerWaalsContact CG-OE2 3.3Å; P447-E463 WeakPolarHBondContact CG-OE2 3.3Å; P447-L467 HydrophobicContact CG-CD1 4.07Å
448	D	97.7	Very high	96.3	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.2	-41.1	177.6	60.5	-19.1	0	0	0	112	F122 R446 F452 A460 E463 K464 L467	F122-D448 WeakPolarHBondContact CD1-OD2 3.4Å; F122-D448 HydrophobicContact CE1-CB 4.18Å; F122-D448 WeakPolarHBondContact CE1-OD2 3.49Å; R446-D448 WeakPolarHBondContact CD-OD1 3.49Å; R446-D448 WeakPolarHBondContact CG-OD1 3.19Å; R446-D448 IonicContact CZ-OD1 3.41Å; R446-D448 IonicContact CZ-OD2 3.77Å; R446-D448 IonicContact NE-OD1 2.77Å; R446-D448 PolarHBondContact NE-OD1 2.87Å; R446-D448 IonicContact NE-OD2 2.79Å; R446-D448 PolarHBondContact NE-OD2 2.61Å; R446-D448 IonicContact NH2-OD1 3.69Å; R446-D448 IonicContact NH2-OD2 3.92Å; R446-D448 PolarHBondContact NH2-OD2 2.94Å; D448-F452 VanDerWaalsContact O-CB 3.25Å; D448-F452 WeakPolarHBondContact O-CB 3.39Å; D448-F452 PolarHBondContact O-N 2.97Å; D448-F452 VanDerWaalsContact O-N 3.1Å; D448-A460 WeakPolarHBondContact O-CB 3.48Å; D448-E463 HydrophobicContact CB-CB 4.04Å; D448-K464 HydrophobicContact CB-CB 3.83Å; D448-L467 HydrophobicContact CB-CD1 4.27Å; D448-L467 WeakPolarHBondContact OD1-CD1 3.3Å
449	I	97.8	Very high	96.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.7	-46.5	175.5	-54	-173.1	0	0	0	110.8	P70 F122 R446 P447 F452 E453	P70-I449 VanDerWaalsContact C-CG2 3.48Å; P70-I449 VanDerWaalsContact O-CG2 3.29Å; P70-I449 WeakPolarHBondContact O-CG2 3.42Å; F122-I449 HydrophobicContact CB-CD1 3.8Å; F122-I449 HydrophobicContact CB-CG1 4.06Å; F122-I449 HydrophobicContact CD1-CG1 3.9Å; F122-I449 HydrophobicContact CD2-CD1 4.21Å; F122-I449 HydrophobicContact CD2-CG1 3.81Å; F122-I449 HydrophobicContact CE1-CG1 4.25Å; F122-I449 HydrophobicContact CE2-CG1 4.17Å; F122-I449 HydrophobicContact CG-CD1 3.97Å; F122-I449 HydrophobicContact CG-CG1 3.66Å; F122-I449 HydrophobicContact CZ-CG1 4.37Å; R446-I449 HydrophobicContact CB-CD1 4.25Å; R446-I449 HydrophobicContact CB-CG1 4.34Å; R446-I449 HydrophobicContact CG-CD1 4.33Å; R446-I449 HydrophobicContact CG-CG1 4.26Å; R446-I449 PolarHBondContact O-N 2.66Å; P447-I449 VanDerWaalsContact C-N 3.32Å; P447-I449 PolarHBondContact O-N 2.83Å; I449-F452 PolarHBondContact O-N 3.2Å; I449-E453 WeakPolarHBondContact O-CB 3.47Å; I449-E453 PolarHBondContact O-N 3.27Å
450	R	96.9	Very high	96.4	Very high	9 Å²	9	23.5 Å²	23.5	3%	0.034	13%	0.128	C	C	.	.	H	α-helix	trans	-62.8	-48.5	-178.3	-178.5	60.8	59.7	-160.8	-3.9	112	N390 I426 R444 R446 P447 F452 E453 M454	N390-R450 VanDerWaalsContact O-CZ 3.31Å; N390-R450 PolarHBondContact O-NH1 3.29Å; N390-R450 PolarHBondContact O-NH2 3.45Å; I426-R450 HydrophobicContact CG2-CG 3.8Å; R444-R450 PolarHBondContact O-NH2 3.19Å; R446-R450 PolarHBondContact O-N 2.79Å; P447-R450 PolarHBondContact O-N 3.23Å; R450-F452 VanDerWaalsContact C-N 3.31Å; R450-F452 PolarHBondContact O-N 3.03Å; R450-E453 IonicContact CZ-OE2 3.22Å; R450-E453 IonicContact NH1-OE2 2.76Å; R450-E453 PolarHBondContact NH1-OE2 3.17Å; R450-E453 WeakPolarHBondContact O-CB 3.42Å; R450-E453 PolarHBondContact O-N 2.79Å; R450-M454 HydrophobicContact CG-SD 4.26Å; R450-M454 WeakPolarHBondContact O-CG 3.37Å; R450-M454 PolarHBondContact O-N 2.66Å
451	L	96.7	Very high	96.4	Very high	18 Å²	18	23.6 Å²	23.6	9%	0.094	13%	0.133	C	C	.	.	H	α-helix	trans	-60.4	-43.3	178.4	-70.5	167.5	0	0	0	110.8	I426 P447 E453 M454 G455 L456 E459 A460 E463	I426-L451 HydrophobicContact CD1-CD2 3.65Å; P447-L451 WeakPolarHBondContact O-CB 3.36Å; P447-L451 VanDerWaalsContact O-CG 3.25Å; P447-L451 WeakPolarHBondContact O-CG 3.49Å; P447-L451 PolarHBondContact O-N 2.91Å; L451-E453 PolarHBondContact O-N 3.32Å; L451-M454 CarbonylContact O-C 3.39Å; L451-M454 PolarHBondContact O-N 2.88Å; L451-M454 VanDerWaalsContact O-N 3.16Å; L451-G455 PolarHBondContact O-N 3.45Å; L451-L456 HydrophobicContact CB-CB 4.3Å; L451-L456 HydrophobicContact CD2-CB 4.25Å; L451-L456 HydrophobicContact CD2-CD1 3.69Å; L451-L456 PolarHBondContact O-N 2.93Å; L451-E459 HydrophobicContact CD1-CB 4.03Å; L451-E459 HydrophobicContact CD2-CB 4.35Å; L451-A460 HydrophobicContact CB-CB 3.65Å; L451-E463 HydrophobicContact CD1-CB 4.16Å; L451-E463 HydrophobicContact CD1-CG 3.64Å
452	F	96.4	Very high	96.3	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.009	16%	0.161	C	C	.	.	H	α-helix	trans	-63.4	-42	177.2	-174.4	-116.1	0	0	0	112.1	I65 N68 P70 F122 Y380 D448 I449 R450 M454 G455 I457 A460	I65-F452 HydrophobicContact CD1-CB 4.1Å; I65-F452 HydrophobicContact CD1-CD2 4.04Å; I65-F452 HydrophobicContact CD1-CG 4.21Å; I65-F452 HydrophobicContact CG1-CD2 3.8Å; I65-F452 HydrophobicContact CG1-CE2 4.12Å; I65-F452 HydrophobicContact CG1-CG 4.11Å; I65-F452 HydrophobicContact CG2-CD2 4.39Å; I65-F452 HydrophobicContact CG2-CE2 4.37Å; I65-F452 WeakPolarHBondContact O-CE2 3.39Å; I65-F452 WeakPolarHBondContact O-CZ 3.39Å; N68-F452 HydrophobicContact CB-CE1 4.3Å; N68-F452 VanDerWaalsContact O-CE1 3.25Å; N68-F452 WeakPolarHBondContact O-CE1 3.35Å; N68-F452 WeakPolarHBondContact O-CZ 3.36Å; P70-F452 HydrophobicContact CB-CD1 3.88Å; P70-F452 HydrophobicContact CB-CE1 4.46Å; F122-F452 HydrophobicContact CE2-CD1 4Å; F122-F452 HydrophobicContact CZ-CB 4.27Å; F122-F452 HydrophobicContact CZ-CD1 4.2Å; F122-F452 HydrophobicContact CZ-CG 4.34Å; Y380-F452 HydrophobicContact CE1-CE1 4.12Å; Y380-F452 HydrophobicContact CE1-CZ 4.24Å; Y380-F452 AromaticContact CZ-CE1 3.94Å; Y380-F452 WeakPolarHBondContact OH-CE1 3.48Å; Y380-F452 WeakPolarHBondContact OH-CZ 3.37Å; D448-F452 VanDerWaalsContact O-CB 3.25Å; D448-F452 WeakPolarHBondContact O-CB 3.39Å; D448-F452 PolarHBondContact O-N 2.97Å; D448-F452 VanDerWaalsContact O-N 3.1Å; I449-F452 PolarHBondContact O-N 3.2Å; R450-F452 VanDerWaalsContact C-N 3.31Å; R450-F452 PolarHBondContact O-N 3.03Å; F452-M454 PolarHBondContact O-N 3.13Å; F452-G455 PolarHBondContact O-N 3.31Å; F452-I457 HydrophobicContact CD2-CD1 3.53Å; F452-I457 HydrophobicContact CE2-CD1 3.61Å; F452-A460 HydrophobicContact CB-CB 3.83Å
453	E	96	Very high	96.3	Very high	3 Å²	3	30.3 Å²	30.3	1%	0.014	17%	0.17	C	C	.	.	H	α-helix	trans	-62.3	-30.8	175.4	-162.6	-176.2	-116.5	0	0	113.1	R32 C37 P70 N390 I449 R450 L451 G455	R32-E453 IonicContact CZ-OE1 2.65Å; R32-E453 IonicContact CZ-OE2 2.74Å; R32-E453 VanDerWaalsContact NH1-CD 3.26Å; R32-E453 IonicContact NH1-OE1 2.65Å; R32-E453 PolarHBondContact NH1-OE1 3.14Å; R32-E453 IonicContact NH1-OE2 3.05Å; R32-E453 PolarHBondContact NH1-OE2 2.72Å; R32-E453 IonicContact NH2-OE1 3.09Å; R32-E453 PolarHBondContact NH2-OE1 3.1Å; R32-E453 IonicContact NH2-OE2 3.36Å; C37-E453 WeakPolarHBondContact CB-O 3.32Å; C37-E453 PolarHBondContact N-O 3.47Å; P70-E453 HydrophobicContact CB-CB 3.67Å; P70-E453 HydrophobicContact CB-CG 3.86Å; P70-E453 HydrophobicContact CG-CB 4.44Å; P70-E453 HydrophobicContact CG-CG 4.16Å; N390-E453 PolarHBondContact ND2-OE1 3.05Å; I449-E453 WeakPolarHBondContact O-CB 3.47Å; I449-E453 PolarHBondContact O-N 3.27Å; R450-E453 IonicContact CZ-OE2 3.22Å; R450-E453 IonicContact NH1-OE2 2.76Å; R450-E453 PolarHBondContact NH1-OE2 3.17Å; R450-E453 WeakPolarHBondContact O-CB 3.42Å; R450-E453 PolarHBondContact O-N 2.79Å; L451-E453 PolarHBondContact O-N 3.32Å; E453-G455 VanDerWaalsContact C-N 3.28Å
454	M	94.3	Very high	96.2	Very high	31 Å²	31	30.7 Å²	30.7	15%	0.153	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-1.3	174.9	-67.4	-177.2	68.5	0	0	113.3	P36 I426 R450 L451 F452 L456	P36-M454 HydrophobicContact CB-CG 4.47Å; I426-M454 HydrophobicContact CB-CE 4.46Å; I426-M454 HydrophobicContact CB-SD 4.07Å; I426-M454 HydrophobicContact CG1-CE 3.83Å; I426-M454 HydrophobicContact CG1-SD 3.81Å; I426-M454 HydrophobicContact CG2-SD 3.8Å; R450-M454 HydrophobicContact CG-SD 4.26Å; R450-M454 WeakPolarHBondContact O-CG 3.37Å; R450-M454 PolarHBondContact O-N 2.66Å; L451-M454 CarbonylContact O-C 3.39Å; L451-M454 PolarHBondContact O-N 2.88Å; L451-M454 VanDerWaalsContact O-N 3.16Å; F452-M454 PolarHBondContact O-N 3.13Å; M454-L456 VanDerWaalsContact C-N 3.32Å; M454-L456 HydrophobicContact CB-CD1 4.49Å; M454-L456 HydrophobicContact CB-CG 4.42Å
455	G	93.8	Very high	96	Very high	25 Å²	25	34.1 Å²	34.1	26%	0.258	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	9.9	-179.1	0	0	0	0	0	114.7	L451 F452 E453 I457	L451-G455 PolarHBondContact O-N 3.45Å; F452-G455 PolarHBondContact O-N 3.31Å; E453-G455 VanDerWaalsContact C-N 3.28Å; G455-I457 VanDerWaalsContact C-N 3.32Å; G455-I457 PolarHBondContact O-N 3.12Å; G455-I457 VanDerWaalsContact O-N 3.12Å
456	L	94.9	Very high	96	Very high	60 Å²	60	37.5 Å²	37.5	31%	0.314	20%	0.203	S	C	.	.			trans	-85.4	72.6	176.2	-61.7	175.7	0	0	0	109.6	I426 L451 M454 E459 A460	I426-L456 HydrophobicContact CD1-CD1 4.02Å; I426-L456 HydrophobicContact CG1-CD1 4.5Å; L451-L456 HydrophobicContact CB-CB 4.3Å; L451-L456 HydrophobicContact CD2-CB 4.25Å; L451-L456 HydrophobicContact CD2-CD1 3.69Å; L451-L456 PolarHBondContact O-N 2.93Å; M454-L456 VanDerWaalsContact C-N 3.32Å; M454-L456 HydrophobicContact CB-CD1 4.49Å; M454-L456 HydrophobicContact CB-CG 4.42Å; L456-E459 HydrophobicContact CB-CB 4.39Å; L456-E459 WeakPolarHBondContact CB-OE2 3.28Å; L456-A460 WeakPolarHBondContact O-CB 2.92Å; L456-A460 PolarHBondContact O-N 3.5Å
457	I	94	Very high	95.9	Very high	35 Å²	35	37.4 Å²	37.4	18%	0.179	20%	0.202	C	C	.	.	H	α-helix	trans	-66.2	-42.2	-165.6	-52.2	-56.2	0	0	0	112.7	V40 I65 F452 G455 A460 A461	V40-I457 HydrophobicContact CB-CD1 4.47Å; V40-I457 HydrophobicContact CG2-CD1 3.82Å; V40-I457 HydrophobicContact CG2-CG1 3.93Å; I65-I457 HydrophobicContact CG2-CG2 3.86Å; F452-I457 HydrophobicContact CD2-CD1 3.53Å; F452-I457 HydrophobicContact CE2-CD1 3.61Å; G455-I457 VanDerWaalsContact C-N 3.32Å; G455-I457 PolarHBondContact O-N 3.12Å; G455-I457 VanDerWaalsContact O-N 3.12Å; I457-A460 PolarHBondContact O-N 3.36Å; I457-A461 WeakPolarHBondContact O-CB 3.43Å; I457-A461 PolarHBondContact O-N 3.36Å
458	D	94.3	Very high	95.7	Very high	128 Å²	128	38 Å²	38	68%	0.684	20%	0.203	S	C	*	.	H	α-helix	trans	-71.4	-44.6	-176.1	-68.5	-30	0	0	0	110.7	A460 A461 V462	D458-A460 VanDerWaalsContact C-N 3.32Å; D458-A460 PolarHBondContact O-N 3.26Å; D458-A461 WeakPolarHBondContact O-CB 3.11Å; D458-A461 PolarHBondContact O-N 3.49Å; D458-V462 WeakPolarHBondContact O-CG2 3.37Å; D458-V462 PolarHBondContact O-N 3.12Å
459	E	96.1	Very high	95.4	Very high	96 Å²	96	42 Å²	42	45%	0.449	22%	0.221	S	C	.	.	H	α-helix	trans	-62.3	-41.6	175	-62.1	83.5	174.5	0	0	111.1	L451 L456 A461 V462 E463	L451-E459 HydrophobicContact CD1-CB 4.03Å; L451-E459 HydrophobicContact CD2-CB 4.35Å; L456-E459 HydrophobicContact CB-CB 4.39Å; L456-E459 WeakPolarHBondContact CB-OE2 3.28Å; E459-A461 VanDerWaalsContact C-N 3.31Å; E459-A461 PolarHBondContact O-N 3.5Å; E459-V462 PolarHBondContact O-N 3.15Å; E459-E463 PolarHBondContact O-N 3.07Å
460	A	96.5	Very high	95.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.7	-38.3	176.2	0	0	0	0	0	112.2	I65 D448 L451 F452 L456 I457 D458 K464	I65-A460 VanDerWaalsContact CD1-C 3.46Å; I65-A460 HydrophobicContact CD1-CB 3.39Å; I65-A460 WeakPolarHBondContact CD1-O 3.38Å; D448-A460 WeakPolarHBondContact O-CB 3.48Å; L451-A460 HydrophobicContact CB-CB 3.65Å; F452-A460 HydrophobicContact CB-CB 3.83Å; L456-A460 WeakPolarHBondContact O-CB 2.92Å; L456-A460 PolarHBondContact O-N 3.5Å; I457-A460 PolarHBondContact O-N 3.36Å; D458-A460 VanDerWaalsContact C-N 3.32Å; D458-A460 PolarHBondContact O-N 3.26Å; A460-K464 VanDerWaalsContact O-CB 3.29Å; A460-K464 WeakPolarHBondContact O-CB 3.3Å; A460-K464 PolarHBondContact O-N 2.99Å
461	A	95	Very high	95	Very high	40 Å²	40	46.4 Å²	46.4	33%	0.331	24%	0.241	S	C	.	.	H	α-helix	trans	-66	-40.3	176.1	0	0	0	0	0	112.2	I65 I457 D458 E459 K464 L465	I65-A461 HydrophobicContact CG2-CB 4.13Å; I457-A461 WeakPolarHBondContact O-CB 3.43Å; I457-A461 PolarHBondContact O-N 3.36Å; D458-A461 WeakPolarHBondContact O-CB 3.11Å; D458-A461 PolarHBondContact O-N 3.49Å; E459-A461 VanDerWaalsContact C-N 3.31Å; E459-A461 PolarHBondContact O-N 3.5Å; A461-K464 PolarHBondContact O-N 2.97Å; A461-L465 PolarHBondContact O-N 3.23Å; A461-L465 VanDerWaalsContact O-N 3.08Å
462	V	96.5	Very high	94.6	Very high	98 Å²	98	47.9 Å²	47.9	59%	0.594	25%	0.246	S	C	*	.	H	α-helix	trans	-62.2	-48.7	175.1	171.7	0	0	0	0	110.7	D458 E459 K464 L465 R466	D458-V462 WeakPolarHBondContact O-CG2 3.37Å; D458-V462 PolarHBondContact O-N 3.12Å; E459-V462 PolarHBondContact O-N 3.15Å; V462-K464 VanDerWaalsContact C-N 3.33Å; V462-K464 PolarHBondContact O-N 2.98Å; V462-L465 PolarHBondContact O-N 3.45Å; V462-R466 PolarHBondContact O-N 2.68Å
463	E	97	Very high	94.3	Very high	43 Å²	43	53.5 Å²	53.5	20%	0.201	27%	0.272	C	S	.	.	H	α-helix	trans	-64.3	-38.9	179.2	-77.8	-64.8	103.9	0	0	112.1	P447 D448 L451 E459 L465 R466 L467	P447-E463 HydrophobicContact CB-CG 4.42Å; P447-E463 VanDerWaalsContact CG-OE2 3.3Å; P447-E463 WeakPolarHBondContact CG-OE2 3.3Å; D448-E463 HydrophobicContact CB-CB 4.04Å; L451-E463 HydrophobicContact CD1-CB 4.16Å; L451-E463 HydrophobicContact CD1-CG 3.64Å; E459-E463 PolarHBondContact O-N 3.07Å; E463-L465 VanDerWaalsContact C-N 3.32Å; E463-L465 PolarHBondContact O-N 2.87Å; E463-R466 PolarHBondContact O-N 3.18Å; E463-R466 IonicContact OE1-CZ 3.76Å; E463-R466 IonicContact OE1-NE 3.77Å; E463-R466 PolarHBondContact OE1-NE 2.87Å; E463-R466 IonicContact OE1-NH2 2.89Å; E463-R466 IonicContact OE2-CZ 2.66Å; E463-R466 IonicContact OE2-NE 3.77Å; E463-R466 PolarHBondContact OE2-NE 3.13Å; E463-R466 IonicContact OE2-NH2 3.31Å; E463-R466 PolarHBondContact OE2-NH2 3.29Å; E463-L467 WeakPolarHBondContact O-CB 3.49Å; E463-L467 VanDerWaalsContact O-CG 3.27Å; E463-L467 WeakPolarHBondContact O-CG 3.13Å; E463-L467 PolarHBondContact O-N 3.2Å
464	K	95.9	Very high	93.8	Very high	8 Å²	8	55.3 Å²	55.3	4%	0.035	28%	0.28	C	S	.	.	H	α-helix	trans	-58.8	-46.1	175.1	-174.8	-180	-175.9	-179	0	111.3	T62 M63 I65 N68 F122 D448 A460 A461 V462 E468	T62-K464 HydrophobicContact CG2-CD 4.03Å; T62-K464 HydrophobicContact CG2-CG 4.22Å; M63-K464 PolarHBondContact O-NZ 3.2Å; I65-K464 HydrophobicContact CB-CD 4.37Å; I65-K464 HydrophobicContact CD1-CD 4.32Å; I65-K464 HydrophobicContact CG1-CD 4.3Å; N68-K464 PolarHBondContact OD1-NZ 2.92Å; F122-K464 HydrophobicContact CE1-CD 4.08Å; F122-K464 HydrophobicContact CE1-CG 4.46Å; D448-K464 HydrophobicContact CB-CB 3.83Å; A460-K464 VanDerWaalsContact O-CB 3.29Å; A460-K464 WeakPolarHBondContact O-CB 3.3Å; A460-K464 PolarHBondContact O-N 2.99Å; A461-K464 PolarHBondContact O-N 2.97Å; V462-K464 VanDerWaalsContact C-N 3.33Å; V462-K464 PolarHBondContact O-N 2.98Å; K464-E468 WeakPolarHBondContact O-CB 3.48Å; K464-E468 WeakPolarHBondContact O-CG 3.22Å; K464-E468 PolarHBondContact O-N 3.44Å
465	L	94	Very high	93.3	Very high	74 Å²	74	58.7 Å²	58.7	39%	0.387	29%	0.29	S	S	.	.	H	α-helix	trans	-62.3	-47.2	177.5	-178.4	62.2	0	0	0	111	A461 V462 E463 L467 E468 E469	A461-L465 PolarHBondContact O-N 3.23Å; A461-L465 VanDerWaalsContact O-N 3.08Å; V462-L465 PolarHBondContact O-N 3.45Å; E463-L465 VanDerWaalsContact C-N 3.32Å; E463-L465 PolarHBondContact O-N 2.87Å; L465-L467 PolarHBondContact O-N 2.74Å; L465-E468 PolarHBondContact O-N 3.06Å; L465-E469 HydrophobicContact CD1-CG 4.15Å; L465-E469 HydrophobicContact CG-CG 4.46Å; L465-E469 WeakPolarHBondContact O-CB 3.42Å; L465-E469 WeakPolarHBondContact O-CG 3.49Å; L465-E469 PolarHBondContact O-N 2.93Å
466	R	96.6	Very high	92.9	Very high	86 Å²	86	63.9 Å²	63.9	33%	0.325	31%	0.306	S	S	.	.	H	α-helix	trans	-57.1	-47.4	178.9	-172.5	-173.7	63.9	72.8	9.1	112	V462 E463 E469 K470 Y609	V462-R466 PolarHBondContact O-N 2.68Å; E463-R466 PolarHBondContact O-N 3.18Å; E463-R466 IonicContact OE1-CZ 3.76Å; E463-R466 IonicContact OE1-NE 3.77Å; E463-R466 PolarHBondContact OE1-NE 2.87Å; E463-R466 IonicContact OE1-NH2 2.89Å; E463-R466 IonicContact OE2-CZ 2.66Å; E463-R466 IonicContact OE2-NE 3.77Å; E463-R466 PolarHBondContact OE2-NE 3.13Å; E463-R466 IonicContact OE2-NH2 3.31Å; E463-R466 PolarHBondContact OE2-NH2 3.29Å; R466-E469 PolarHBondContact O-N 2.79Å; R466-K470 WeakPolarHBondContact O-CB 3.1Å; R466-K470 PolarHBondContact O-N 2.8Å; R466-Y609 VanDerWaalsContact CZ-OXT 3.23Å; R466-Y609 PolarHBondContact NH1-OXT 2.69Å; R466-Y609 PolarHBondContact NH2-OXT 3Å
467	L	96.1	Very high	92.2	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-63.9	-46.8	179.2	-69.2	176.3	0	0	0	112.2	L125 R446 P447 D448 E463 L465 E469 K470 Q471 Y609	L125-L467 HydrophobicContact CD1-CB 4.25Å; L125-L467 HydrophobicContact CD1-CD1 4.5Å; L125-L467 HydrophobicContact CD1-CD2 4.23Å; L125-L467 HydrophobicContact CD2-CB 4.46Å; R446-L467 HydrophobicContact CG-CD1 4.09Å; P447-L467 HydrophobicContact CG-CD1 4.07Å; D448-L467 HydrophobicContact CB-CD1 4.27Å; D448-L467 WeakPolarHBondContact OD1-CD1 3.3Å; E463-L467 WeakPolarHBondContact O-CB 3.49Å; E463-L467 VanDerWaalsContact O-CG 3.27Å; E463-L467 WeakPolarHBondContact O-CG 3.13Å; E463-L467 PolarHBondContact O-N 3.2Å; L465-L467 PolarHBondContact O-N 2.74Å; L467-E469 VanDerWaalsContact C-N 3.31Å; L467-E469 PolarHBondContact O-N 2.66Å; L467-K470 PolarHBondContact O-N 3.31Å; L467-Q471 PolarHBondContact O-N 2.89Å; L467-Y609 HydrophobicContact CD2-CD1 4.23Å; L467-Y609 WeakPolarHBondContact CD2-OXT 3.09Å
468	E	92.3	Very high	91.2	Very high	40 Å²	40	62.7 Å²	62.7	19%	0.187	30%	0.304	C	S	.	.	H	α-helix	trans	-63.3	-38.5	178	-73.5	-172.8	-175	0	0	111.7	T62 K464 L465 R472	T62-E468 WeakPolarHBondContact CB-OE2 3.29Å; T62-E468 WeakPolarHBondContact CG2-OE2 3.5Å; T62-E468 PolarHBondContact OG1-OE2 3.25Å; K464-E468 WeakPolarHBondContact O-CB 3.48Å; K464-E468 WeakPolarHBondContact O-CG 3.22Å; K464-E468 PolarHBondContact O-N 3.44Å; L465-E468 PolarHBondContact O-N 3.06Å; E468-R472 WeakPolarHBondContact O-CB 3.44Å; E468-R472 VanDerWaalsContact O-CG 3.25Å; E468-R472 WeakPolarHBondContact O-CG 3.3Å; E468-R472 PolarHBondContact O-N 3.44Å; E468-R472 IonicContact OE2-CZ 3.63Å; E468-R472 IonicContact OE2-NH1 2.69Å; E468-R472 PolarHBondContact OE2-NH1 3.41Å; E468-R472 IonicContact OE2-NH2 3Å
469	E	92.5	Very high	90.2	Very high	85 Å²	85	60.2 Å²	60.2	40%	0.397	29%	0.291	S	S	.	.	H	α-helix	trans	-67.1	-47.1	175	-73.3	-176.9	167.3	0	0	112.3	L465 R466 L467 Q471 R472 H473	L465-E469 HydrophobicContact CD1-CG 4.15Å; L465-E469 HydrophobicContact CG-CG 4.46Å; L465-E469 WeakPolarHBondContact O-CB 3.42Å; L465-E469 WeakPolarHBondContact O-CG 3.49Å; L465-E469 PolarHBondContact O-N 2.93Å; R466-E469 PolarHBondContact O-N 2.79Å; L467-E469 VanDerWaalsContact C-N 3.31Å; L467-E469 PolarHBondContact O-N 2.66Å; E469-Q471 VanDerWaalsContact C-N 3.26Å; E469-Q471 PolarHBondContact O-N 3.38Å; E469-R472 PolarHBondContact O-N 2.86Å; E469-H473 PolarHBondContact O-CD2 3.08Å; E469-H473 PolarHBondContact O-N 3.28Å
470	K	93.9	Very high	88.8	Confident	67 Å²	67	57.2 Å²	57.2	29%	0.291	29%	0.285	S	S	.	.	H	α-helix	trans	-51.3	-47.7	174.3	-177.6	174.6	175.3	175.5	0	110.5	R466 L467 H473 K474 D607 Y609	R466-K470 WeakPolarHBondContact O-CB 3.1Å; R466-K470 PolarHBondContact O-N 2.8Å; L467-K470 PolarHBondContact O-N 3.31Å; K470-H473 PolarHBondContact O-N 3.34Å; K470-K474 WeakPolarHBondContact O-CB 3.38Å; K470-K474 PolarHBondContact O-N 3.43Å; K470-D607 VanDerWaalsContact NZ-CG 3.27Å; K470-D607 IonicContact NZ-OD1 3.41Å; K470-D607 PolarHBondContact NZ-OD1 3.04Å; K470-D607 IonicContact NZ-OD2 3.29Å; K470-D607 PolarHBondContact NZ-OD2 3.37Å; K470-Y609 PolarHBondContact NZ-O 3.1Å
471	Q	91.6	Very high	87.1	Confident	34 Å²	34	61.3 Å²	61.3	16%	0.159	31%	0.306	C	S	.	.	H	α-helix	trans	-65.1	-43.4	175.8	179.8	163.7	-73.9	0	0	113.2	L125 H146 L467 E469 H473 K474 R475	L125-Q471 VanDerWaalsContact CB-OE1 3.29Å; L125-Q471 HydrophobicContact CD2-CB 4.47Å; H146-Q471 PolarHBondContact CD2-NE2 2.88Å; H146-Q471 VanDerWaalsContact CD2-NE2 3.3Å; H146-Q471 PolarHBondContact CE1-NE2 2.85Å; H146-Q471 PolarHBondContact ND1-NE2 3.29Å; H146-Q471 PolarHBondContact NE2-NE2 3.07Å; L467-Q471 PolarHBondContact O-N 2.89Å; E469-Q471 VanDerWaalsContact C-N 3.26Å; E469-Q471 PolarHBondContact O-N 3.38Å; Q471-H473 VanDerWaalsContact C-N 3.32Å; Q471-H473 PolarHBondContact O-N 3.04Å; Q471-K474 PolarHBondContact O-N 3.43Å; Q471-R475 PolarHBondContact O-N 3.41Å
472	R	88.9	Confident	85.3	Confident	50 Å²	50	64.7 Å²	64.7	19%	0.189	31%	0.311	C	S	.	.	H	α-helix	trans	-60.2	-42.1	176.9	-78.9	-175.8	-75.6	-107.2	5.1	111.4	E468 E469 K476	E468-R472 WeakPolarHBondContact O-CB 3.44Å; E468-R472 VanDerWaalsContact O-CG 3.25Å; E468-R472 WeakPolarHBondContact O-CG 3.3Å; E468-R472 PolarHBondContact O-N 3.44Å; E468-R472 IonicContact OE2-CZ 3.63Å; E468-R472 IonicContact OE2-NH1 2.69Å; E468-R472 PolarHBondContact OE2-NH1 3.41Å; E468-R472 IonicContact OE2-NH2 3Å; E469-R472 PolarHBondContact O-N 2.86Å; R472-K476 WeakPolarHBondContact O-CG 3.27Å; R472-K476 PolarHBondContact O-N 3.03Å; R472-K476 VanDerWaalsContact O-N 3.1Å
473	H	89.6	Confident	83.2	Confident	120 Å²	120	68.7 Å²	68.7	56%	0.556	32%	0.32	S	S	*	.	H	α-helix	trans	-65.7	-47	177.3	-79.5	-73	0	0	0	111.8	E469 K470 Q471 R475 K476 S477	E469-H473 PolarHBondContact O-CD2 3.08Å; E469-H473 PolarHBondContact O-N 3.28Å; K470-H473 PolarHBondContact O-N 3.34Å; Q471-H473 VanDerWaalsContact C-N 3.32Å; Q471-H473 PolarHBondContact O-N 3.04Å; H473-R475 VanDerWaalsContact C-N 3.29Å; H473-R475 PolarHBondContact O-N 3.44Å; H473-K476 PolarHBondContact O-N 3.44Å; H473-K476 VanDerWaalsContact O-N 3.07Å; H473-S477 PolarHBondContact O-N 3.02Å
474	K	86.7	Confident	81.2	Confident	41 Å²	41	73.7 Å²	73.7	18%	0.178	35%	0.347	C	S	.	.	H	α-helix	trans	-59.3	-38.5	177.1	-163.4	169.6	-169.2	178.8	0	112.6	K470 Q471 S477 L478 Q571 V573	K470-K474 WeakPolarHBondContact O-CB 3.38Å; K470-K474 PolarHBondContact O-N 3.43Å; Q471-K474 PolarHBondContact O-N 3.43Å; K474-S477 PolarHBondContact O-OG 3.3Å; K474-L478 HydrophobicContact CG-CD1 4.5Å; K474-L478 WeakPolarHBondContact O-CD1 3.36Å; K474-L478 WeakPolarHBondContact O-CG 3.49Å; K474-L478 PolarHBondContact O-N 3.3Å; K474-L478 VanDerWaalsContact O-N 3.16Å; K474-Q571 WeakPolarHBondContact CE-O 3.39Å; K474-Q571 PolarHBondContact NZ-O 3.02Å; K474-V573 HydrophobicContact CD-CG2 3.94Å
475	R	83.6	Confident	78.5	Confident	101 Å²	101	76 Å²	76	38%	0.381	36%	0.364	S	S	.	.	H	α-helix	trans	-66.8	-40.3	173.9	-176.3	177.2	61.4	140.4	-7.9	112.7	H147 Q471 H473 L478 N479	H147-R475 PolarHBondContact CD2-NH1 2.84Å; H147-R475 PolarHBondContact NE2-NH1 2.92Å; Q471-R475 PolarHBondContact O-N 3.41Å; H473-R475 VanDerWaalsContact C-N 3.29Å; H473-R475 PolarHBondContact O-N 3.44Å; R475-L478 PolarHBondContact O-N 3.39Å; R475-N479 PolarHBondContact O-N 2.98Å
476	K	84	Confident	75.8	Confident	134 Å²	134	80.6 Å²	80.6	58%	0.583	39%	0.389	S	S	*	.	H	α-helix	trans	-64.5	-42.9	177.9	-75.9	176.1	-178	177.4	0	111.4	R472 H473 N479 G480	R472-K476 WeakPolarHBondContact O-CG 3.27Å; R472-K476 PolarHBondContact O-N 3.03Å; R472-K476 VanDerWaalsContact O-N 3.1Å; H473-K476 PolarHBondContact O-N 3.44Å; H473-K476 VanDerWaalsContact O-N 3.07Å; K476-N479 PolarHBondContact O-N 3.19Å; K476-G480 PolarHBondContact O-N 2.69Å
477	S	80.5	Confident	72.6	Confident	44 Å²	44	83.6 Å²	83.6	31%	0.308	41%	0.405	S	S	.	.	H	α-helix	trans	-62.7	-43.4	176.9	61.8	0	0	0	0	111.6	H473 K474 N479 G480 L481	H473-S477 PolarHBondContact O-N 3.02Å; K474-S477 PolarHBondContact O-OG 3.3Å; S477-N479 PolarHBondContact O-N 2.91Å; S477-G480 PolarHBondContact O-N 3.27Å; S477-L481 PolarHBondContact O-N 3.33Å
478	L	73.9	Confident	69.5	Low	26 Å²	26	91.1 Å²	91.1	14%	0.136	45%	0.445	C	S	.	.	H	α-helix	trans	-59.9	-44.8	174.9	-77.8	164.7	0	0	0	113.5	K474 R475 G480 L481 R482 I572	K474-L478 HydrophobicContact CG-CD1 4.5Å; K474-L478 WeakPolarHBondContact O-CD1 3.36Å; K474-L478 WeakPolarHBondContact O-CG 3.49Å; K474-L478 PolarHBondContact O-N 3.3Å; K474-L478 VanDerWaalsContact O-N 3.16Å; R475-L478 PolarHBondContact O-N 3.39Å; L478-G480 VanDerWaalsContact C-N 3.29Å; L478-G480 PolarHBondContact O-N 2.89Å; L478-L481 PolarHBondContact O-N 3.16Å; L478-R482 WeakPolarHBondContact O-CG 3.48Å; L478-R482 PolarHBondContact O-N 2.88Å; L478-I572 HydrophobicContact CD1-CG2 4.47Å; L478-I572 HydrophobicContact CD2-CB 3.92Å; L478-I572 HydrophobicContact CD2-CD1 3.95Å; L478-I572 HydrophobicContact CD2-CG1 3.54Å; L478-I572 HydrophobicContact CD2-CG2 3.78Å
479	N	72.7	Confident	66.8	Low	77 Å²	77	95.8 Å²	95.8	41%	0.412	46%	0.461	S	S	.	.	H	α-helix	trans	-68.1	-31.2	177.1	-75.2	-13.2	0	0	0	112.2	R475 K476 S477 K483	R475-N479 PolarHBondContact O-N 2.98Å; K476-N479 PolarHBondContact O-N 3.19Å; S477-N479 PolarHBondContact O-N 2.91Å; N479-K483 WeakPolarHBondContact O-CG 3.41Å; N479-K483 PolarHBondContact O-N 3.08Å
480	G	67.7	Low	63.9	Low	32 Å²	32	97.7 Å²	97.7	33%	0.33	48%	0.48	S	S	.	.	H	α-helix	trans	-63.6	-49	170.9	0	0	0	0	0	111.7	K476 S477 L478 R482 K483 I484	K476-G480 PolarHBondContact O-N 2.69Å; S477-G480 PolarHBondContact O-N 3.27Å; L478-G480 VanDerWaalsContact C-N 3.29Å; L478-G480 PolarHBondContact O-N 2.89Å; G480-R482 PolarHBondContact O-N 3.07Å; G480-K483 PolarHBondContact O-N 3.48Å; G480-K483 VanDerWaalsContact O-N 3.14Å; G480-I484 WeakPolarHBondContact O-CG1 3.32Å; G480-I484 PolarHBondContact O-N 3.31Å
481	L	60.1	Low	61.1	Low	86 Å²	86	100.9 Å²	100.9	45%	0.45	50%	0.499	S	S	.	.	H	α-helix	trans	-59.6	-45.2	176.1	-80.5	151.7	0	0	0	112.3	S477 L478 K483 I484 S485	S477-L481 PolarHBondContact O-N 3.33Å; L478-L481 PolarHBondContact O-N 3.16Å; L481-K483 PolarHBondContact O-N 3.09Å; L481-I484 PolarHBondContact O-N 3.45Å; L481-S485 PolarHBondContact O-N 3.05Å; L481-S485 PolarHBondContact O-OG 3.17Å
482	R	57.3	Low	58.1	Low	112 Å²	112	103.1 Å²	103.1	42%	0.423	52%	0.519	S	S	.	.	H	α-helix	trans	-63.7	-22.7	176	-76.1	-176.5	-177.7	177	-0.1	114.2	L478 G480 S485	L478-R482 WeakPolarHBondContact O-CG 3.48Å; L478-R482 PolarHBondContact O-N 2.88Å; G480-R482 PolarHBondContact O-N 3.07Å; R482-S485 CarbonylContact C-O 3.57Å
483	K	52.5	Low	55.3	Low	181 Å²	181	107.7 Å²	107.7	79%	0.787	55%	0.547	S	S	*	.	H	α-helix	trans	-79.8	-24.1	172.1	-78.6	-177.9	177.2	-174.1	0	112.5	N479 G480 L481	N479-K483 WeakPolarHBondContact O-CG 3.41Å; N479-K483 PolarHBondContact O-N 3.08Å; G480-K483 PolarHBondContact O-N 3.48Å; G480-K483 VanDerWaalsContact O-N 3.14Å; L481-K483 PolarHBondContact O-N 3.09Å
484	I	55.6	Low	52.3	Low	148 Å²	148	109 Å²	109	76%	0.759	56%	0.558	S	S	*	*	H	α-helix	trans	-87.9	-39.3	-179	-62.8	164.6	0	0	0	110.4	G480 L481	G480-I484 WeakPolarHBondContact O-CG1 3.32Å; G480-I484 PolarHBondContact O-N 3.31Å; L481-I484 PolarHBondContact O-N 3.45Å
485	S	38.8	Very low	49.7	Very low	56 Å²	56	116 Å²	116	39%	0.392	59%	0.591	S	S	.	*	S	Bend	trans	-90.2	118.9	169.3	63.1	0	0	0	0	109.3	L481 R482 F487	L481-S485 PolarHBondContact O-N 3.05Å; L481-S485 PolarHBondContact O-OG 3.17Å; R482-S485 CarbonylContact C-O 3.57Å; S485-F487 PolarHBondContact O-N 3.46Å
486	N	36.6	Very low	47	Very low	172 Å²	172	120.5 Å²	120.5	92%	0.92	61%	0.613	S	S	*	*			trans	-65.3	47.5	169.8	-86.8	-19.1	0	0	0	112.7
487	F	29.9	Very low	44.3	Very low	149 Å²	149	119.8 Å²	119.8	65%	0.654	63%	0.625	S	S	*	*			trans	-111.9	92.4	-177.7	-149.4	-94.6	0	0	0	109.2	S485	S485-F487 PolarHBondContact O-N 3.46Å
488	N	30.6	Very low	42	Very low	158 Å²	158	124.1 Å²	124.1	85%	0.845	65%	0.65	S	S	*	*			trans	-75.8	127.5	171	-100.4	-13.3	0	0	0	109.6
489	W	35.9	Very low	39.7	Very low	139 Å²	139	126.5 Å²	126.5	53%	0.527	68%	0.681	S	S	.	*			trans	-71.3	144.6	162.9	-82.1	72.8	0	0	0	109.7	I491	W489-I491 VanDerWaalsContact C-N 3.26Å; W489-I491 PolarHBondContact O-N 3.36Å
490	P	31.3	Very low	37.7	Very low	124 Å²	124	132.7 Å²	132.7	81%	0.805	70%	0.704	S	S	*	*			trans	-74.5	86.7	171.8	31.8	-30	0	0	0	108.1
491	I	35	Very low	35.7	Very low	134 Å²	134	139.6 Å²	139.6	69%	0.687	73%	0.728	S	S	*	*			trans	-67.9	132.5	147.7	-61.7	172.6	0	0	0	104.7	W489 N493	W489-I491 VanDerWaalsContact C-N 3.26Å; W489-I491 PolarHBondContact O-N 3.36Å; I491-N493 PolarHBondContact O-N 2.84Å
492	S	29.9	Very low	34.2	Very low	82 Å²	82	143.4 Å²	143.4	57%	0.573	75%	0.748	S	S	*	*			trans	-58.4	75.2	179.5	54.7	0	0	0	0	112.2	N494	S492-N494 PolarHBondContact O-N 2.97Å; S492-N494 VanDerWaalsContact O-N 3.13Å
493	N	29.2	Very low	32.6	Very low	145 Å²	145	145.1 Å²	145.1	78%	0.775	77%	0.765	S	S	*	*			trans	-83.1	55.2	159.4	-80	-16.1	0	0	0	108.7	I491	I491-N493 PolarHBondContact O-N 2.84Å
494	N	27.5	Very low	31.5	Very low	149 Å²	149	144.4 Å²	144.4	80%	0.797	77%	0.769	S	S	*	*			trans	-100.5	66.4	165.8	-87.3	-7.5	0	0	0	109.2	S492	S492-N494 PolarHBondContact O-N 2.97Å; S492-N494 VanDerWaalsContact O-N 3.13Å
495	H	30.7	Very low	30.3	Very low	187 Å²	187	143.7 Å²	143.7	87%	0.866	77%	0.772	S	S	*	*			trans	-129	76.2	152.6	-87.9	-54.1	0	0	0	107.7
496	K	27	Very low	29.5	Very low	195 Å²	195	146 Å²	146	85%	0.848	79%	0.788	S	S	*	*	S	Bend	trans	-169.1	124.2	156.1	-104.6	163.3	-170.2	-171.5	0	110.5
497	S	28.1	Very low	29.3	Very low	119 Å²	119	144.6 Å²	144.6	83%	0.832	79%	0.786	S	S	*	*			trans	73.5	127.3	-178.7	81.4	0	0	0	0	114.8
498	T	32.5	Very low	29.1	Very low	136 Å²	136	144 Å²	144	83%	0.834	79%	0.79	S	S	*	*			cis	-139.8	138.3	35.4	49.8	0	0	0	0	109.7
499	G	25.9	Very low	29	Very low	76 Å²	76	145.6 Å²	145.6	78%	0.784	79%	0.794	S	S	*	*				85.9	78.4	72	0	0	0	0	0	111.2
500	K	30.2	Very low	28.6	Very low	206 Å²	206	146.6 Å²	146.6	90%	0.896	81%	0.81	S	S	*	*			trans	-139.5	106.3	153.6	-107.4	-174.7	-178.7	-178.6	0	109.3	L502	K500-L502 PolarHBondContact O-N 3.24Å
501	E	24.8	Very low	28.6	Very low	177 Å²	177	145.8 Å²	145.8	83%	0.827	81%	0.807	S	S	*	*			trans	-51.1	125.5	162.9	-71.6	167.2	128.4	0	0	110
502	L	29.9	Very low	28.4	Very low	167 Å²	167	145 Å²	145	87%	0.874	81%	0.809	S	S	*	*			trans	-129.4	102.4	148.4	-82.7	169.9	0	0	0	106.5	K500 L504	K500-L502 PolarHBondContact O-N 3.24Å; L502-L504 PolarHBondContact O-N 2.63Å
503	N	23.5	Very low	28.2	Very low	148 Å²	148	147.2 Å²	147.2	79%	0.791	82%	0.819	S	S	*	*			trans	-60	115.1	165	-78.2	-34.6	0	0	0	108.9
504	L	29.6	Very low	28.3	Very low	166 Å²	166	145.8 Å²	145.8	87%	0.869	82%	0.815	S	S	*	*			trans	-133.5	131.3	151.2	-93	158.1	0	0	0	108	L502	L502-L504 PolarHBondContact O-N 2.63Å
505	T	29.4	Very low	28.3	Very low	132 Å²	132	146 Å²	146	81%	0.81	82%	0.816	S	S	*	*			trans	-66.6	148.3	-161.6	42.5	0	0	0	0	114.6
506	S	23	Very low	28.1	Very low	106 Å²	106	144.3 Å²	144.3	74%	0.741	81%	0.814	S	S	*	*			trans	-59.3	141.9	168.6	55.3	0	0	0	0	113.9
507	T	30.7	Very low	28.1	Very low	142 Å²	142	140.2 Å²	140.2	87%	0.871	81%	0.805	S	S	*	*			trans	-153.6	142.9	130.6	21.2	0	0	0	0	110.4
508	D	25.7	Very low	28.1	Very low	137 Å²	137	139.5 Å²	139.5	73%	0.733	81%	0.807	S	S	*	*			trans	-64.4	153.8	-166.6	-58.6	-68.5	0	0	0	115.6
509	M	29.7	Very low	27.9	Very low	190 Å²	190	142.6 Å²	142.6	94%	0.936	81%	0.808	S	S	*	*				-159.3	126.3	120.9	-91.1	-52.9	165.9	0	0	110.2
510	N	27.3	Very low	28	Very low	161 Å²	161	146 Å²	146	86%	0.861	80%	0.804	S	S	*	*			trans	-64.8	134.1	176.9	-78.8	-44.9	0	0	0	113
511	S	30.6	Very low	27.9	Very low	107 Å²	107	145.9 Å²	145.9	75%	0.748	80%	0.804	S	S	*	*			trans	-159.9	102.5	149.2	177.6	0	0	0	0	110.6
512	T	30.8	Very low	28	Very low	116 Å²	116	147.5 Å²	147.5	71%	0.712	81%	0.809	S	S	*	*			trans	25.8	111.5	140	17.3	0	0	0	0	120
513	T	26.8	Very low	27.8	Very low	129 Å²	129	144.9 Å²	144.9	79%	0.791	80%	0.8	S	S	*	*			trans	59.1	83.7	135.1	-37	0	0	0	0	118
514	V	29.8	Very low	28	Very low	116 Å²	116	146.1 Å²	146.1	70%	0.703	81%	0.806	S	S	*	*			trans	-129.6	76.3	157.2	-173.4	0	0	0	0	109.9
515	N	28.1	Very low	28.2	Very low	152 Å²	152	144.6 Å²	144.6	81%	0.813	80%	0.799	S	S	*	*			trans	-102.1	91.9	146.6	-98.2	-23.8	0	0	0	105.4
516	N	27.4	Very low	28.2	Very low	153 Å²	153	143.8 Å²	143.8	82%	0.818	80%	0.796	S	S	*	*			trans	155.9	73.1	156.2	-82.3	-31	0	0	0	111.6
517	T	26.8	Very low	28.4	Very low	108 Å²	108	147.6 Å²	147.6	66%	0.663	80%	0.8	S	S	*	*			trans	-146.5	58.5	160.4	-20.6	0	0	0	0	111.1
518	A	28.7	Very low	28.3	Very low	105 Å²	105	150.8 Å²	150.8	87%	0.868	80%	0.801	S	S	*	*	S	Bend	trans	-135.1	18.2	162.3	0	0	0	0	0	112
519	K	28.4	Very low	28.3	Very low	200 Å²	200	154.5 Å²	154.5	87%	0.87	81%	0.811	S	S	*	*	S	Bend	trans	-129.9	67.8	172.3	-81.2	-176.4	176.9	175.1	0	109.2
520	Q	27.1	Very low	28.2	Very low	149 Å²	149	149.3 Å²	149.3	70%	0.696	80%	0.799	S	S	*	*			trans	-160.1	53	169	-113.5	177.4	17.7	0	0	111.1
521	F	27.2	Very low	28.1	Very low	202 Å²	202	151.8 Å²	151.8	89%	0.886	80%	0.802	S	S	*	*	S	Bend	trans	-142.7	20.3	163.1	-89.6	-74.8	0	0	0	112.7
522	F	27.8	Very low	27.9	Very low	212 Å²	212	152.1 Å²	152.1	93%	0.93	80%	0.804	S	S	*	*	S	Bend	trans	-138.2	58.2	172.3	-75.7	-75.7	0	0	0	110.7
523	T	26.6	Very low	28	Very low	112 Å²	112	151.8 Å²	151.8	69%	0.687	81%	0.806	S	S	*	*			trans	-144.1	78.6	167.6	51.5	0	0	0	0	108.4
524	N	27	Very low	28.1	Very low	173 Å²	173	153.2 Å²	153.2	93%	0.925	81%	0.81	S	S	*	*			trans	173.7	75.6	150.7	-86.8	-13.9	0	0	0	107.7
525	N	33.6	Very low	28.2	Very low	135 Å²	135	153.5 Å²	153.5	72%	0.722	82%	0.816	S	S	*	*			trans	-131	113.4	166	-166	-15.7	0	0	0	107.6	F527	N525-F527 VanDerWaalsContact C-N 3.27Å; N525-F527 PolarHBondContact O-N 3Å
526	P	29.5	Very low	28.3	Very low	114 Å²	114	152.9 Å²	152.9	74%	0.74	82%	0.819	S	S	*	*			trans	-85.8	64.8	-171.1	36.3	-34.5	0	0	0	110.5
527	F	27.5	Very low	28.5	Very low	187 Å²	187	149.1 Å²	149.1	82%	0.82	82%	0.816	S	S	*	*			trans	-147.4	75.4	167.9	-83.2	-77.8	0	0	0	110.3	N525	N525-F527 VanDerWaalsContact C-N 3.27Å; N525-F527 PolarHBondContact O-N 3Å
528	K	27.9	Very low	28.8	Very low	209 Å²	209	153.5 Å²	153.5	91%	0.909	83%	0.828	S	S	*	*			trans	-148.5	71.5	162.2	-106.9	-171.2	-178.9	-177	0	110
529	K	26.7	Very low	28.7	Very low	214 Å²	214	159 Å²	159	93%	0.93	83%	0.827	S	S	*	*			trans	-152	83.9	158.9	-90.4	-170.2	-179.8	177.8	0	108.9
530	A	25.9	Very low	28.8	Very low	82 Å²	82	155.3 Å²	155.3	68%	0.678	83%	0.826	S	S	*	*	S	Bend	trans	-163.1	133.5	154	0	0	0	0	0	106.7
531	F	27	Very low	29	Very low	213 Å²	213	154.1 Å²	154.1	93%	0.934	83%	0.829	S	S	*	*			trans	89.5	66.9	-175.8	-52.4	-72.3	0	0	0	116.5
532	S	26.2	Very low	29.8	Very low	114 Å²	114	150.3 Å²	150.3	80%	0.797	82%	0.824	S	S	*	*			trans	-149.5	99.1	144.6	66.7	0	0	0	0	110.3
533	S	32.5	Very low	30	Very low	108 Å²	108	144.2 Å²	144.2	76%	0.755	81%	0.813	S	S	*	*			trans	176.9	105.2	152.2	47.8	0	0	0	0	107.7
534	N	29.4	Very low	30.2	Very low	160 Å²	160	145.8 Å²	145.8	86%	0.856	82%	0.817	S	S	*	*				89.7	109.4	94.6	-85.4	2.8	0	0	0	113.5
535	S	31.8	Very low	30.5	Very low	121 Å²	121	143.7 Å²	143.7	85%	0.846	81%	0.806	S	S	*	*			trans	-148.1	111.4	131.2	68.2	0	0	0	0	110
536	T	29.7	Very low	30.4	Very low	140 Å²	140	143.3 Å²	143.3	86%	0.859	80%	0.804	S	S	*	*			trans	-69.5	146.5	165.5	41.2	0	0	0	0	111.4
537	G	31.1	Very low	30.6	Very low	74 Å²	74	144 Å²	144	76%	0.763	80%	0.802	S	S	*	*			trans	-179.8	82.5	170.9	0	0	0	0	0	114.6
538	H	33.6	Very low	30.7	Very low	199 Å²	199	140.6 Å²	140.6	92%	0.921	79%	0.792	S	S	*	*			trans	21.4	141.9	159.2	-80.4	-74.4	0	0	0	125.4
539	R	26.7	Very low	30.9	Very low	222 Å²	222	138.6 Å²	138.6	84%	0.838	79%	0.792	S	S	*	*			trans	-88.2	137	175.8	175.5	-173.1	-168.3	-172.2	3.6	111.6
540	S	30.5	Very low	31.1	Very low	122 Å²	122	137.2 Å²	137.2	85%	0.853	79%	0.786	S	S	*	*			trans	-155.4	140.6	152.6	-54.4	0	0	0	0	110.9
541	T	31.8	Very low	31.4	Very low	123 Å²	123	141.4 Å²	141.4	76%	0.755	80%	0.797	S	S	*	*			trans	-122.6	-179	173.6	46.5	0	0	0	0	108.4
542	P	42.7	Very low	31.3	Very low	122 Å²	122	136.2 Å²	136.2	79%	0.792	79%	0.786	S	S	*	*				-126.4	-158.3	-70.8	38.8	-19.6	0	0	0	112.2
543	A	32.6	Very low	31.3	Very low	85 Å²	85	137.1 Å²	137.1	70%	0.702	79%	0.792	S	S	*	*			trans	95.9	144.5	176.9	0	0	0	0	0	114.6
544	D	31.2	Very low	30.9	Very low	144 Å²	144	138.4 Å²	138.4	77%	0.77	80%	0.795	S	S	*	*			cis	-168.8	165.4	-9.6	-104.4	-23.6	0	0	0	107.3
545	D	33.1	Very low	30.7	Very low	130 Å²	130	135.7 Å²	135.7	70%	0.695	79%	0.788	S	S	*	*			trans	83.9	116.1	153.3	-68.6	-26.4	0	0	0	124.1
546	N	31	Very low	30.3	Very low	127 Å²	127	135.8 Å²	135.8	68%	0.679	78%	0.784	S	S	*	*				57.4	137.1	126.5	-57.9	-27.7	0	0	0	119
547	D	32.8	Very low	30.3	Very low	127 Å²	127	135.9 Å²	135.9	68%	0.679	79%	0.785	S	S	*	*			cis	-171.5	157.3	31.5	-129	-25.2	0	0	0	110.1
548	N	30.2	Very low	29.9	Very low	117 Å²	117	137.3 Å²	137.3	63%	0.626	78%	0.779	S	S	*	*			trans	44.6	116	151.3	-64	-44.7	0	0	0	121.8
549	D	33.2	Very low	29.5	Very low	167 Å²	167	133.6 Å²	133.6	89%	0.893	77%	0.77	S	S	*	*				-158.6	125.6	103.8	-103.7	-22.4	0	0	0	113.2
550	K	29.4	Very low	29.6	Very low	185 Å²	185	128.3 Å²	128.3	80%	0.804	76%	0.762	S	S	*	*			trans	-84	131.3	168.4	-75.9	172.1	176.4	167.1	0	107.9
551	N	32.2	Very low	29.4	Very low	170 Å²	170	129.8 Å²	129.8	91%	0.909	76%	0.76	S	S	*	*			trans	-145.8	117.9	141.8	-99.9	-28.9	0	0	0	110.4
552	S	25.5	Very low	29	Very low	103 Å²	103	130.4 Å²	130.4	72%	0.72	76%	0.759	S	S	*	*			trans	-79	138.6	168.9	52.7	0	0	0	0	109.9
553	C	26.7	Very low	28.3	Very low	134 Å²	134	131.5 Å²	131.5	91%	0.905	76%	0.756	S	S	*	*			trans	-145.5	97.5	150.6	-93.5	0	0	0	0	108
554	T	24.1	Very low	28	Very low	135 Å²	135	131.6 Å²	131.6	83%	0.828	75%	0.752	S	S	*	*			trans	-91.2	119.4	159.6	32.3	0	0	0	0	108.3
555	S	25.6	Very low	27.8	Very low	102 Å²	102	130 Å²	130	71%	0.713	75%	0.753	S	S	*	*			trans	-168.4	117.9	146	15.1	0	0	0	0	111.8
556	T	23.6	Very low	27.7	Very low	123 Å²	123	130.4 Å²	130.4	76%	0.755	76%	0.755	S	S	*	*				53.2	105.8	129.8	-9.1	0	0	0	0	118.4
557	T	27.9	Very low	27.7	Very low	143 Å²	143	131.9 Å²	131.9	88%	0.877	76%	0.762	S	S	*	*			trans	-140.5	106.9	147.7	-34.7	0	0	0	0	110.7
558	T	23.6	Very low	28	Very low	104 Å²	104	132.4 Å²	132.4	64%	0.638	77%	0.765	S	S	*	*			trans	-73.3	146.3	165.5	-43.6	0	0	0	0	108.7
559	T	24.8	Very low	28.5	Very low	120 Å²	120	131.4 Å²	131.4	74%	0.736	77%	0.766	S	S	*	*			trans	63	125	157.9	48	0	0	0	0	116.8
560	T	28	Very low	29.1	Very low	111 Å²	111	128.1 Å²	128.1	68%	0.681	75%	0.749	S	S	*	*			cis	-152.6	133.1	40.1	35.9	0	0	0	0	110.4	D562	T560-D562 PolarHBondContact O-N 3.45Å; T560-D562 VanDerWaalsContact O-N 3.11Å
561	L	26.3	Very low	30.3	Very low	153 Å²	153	123.9 Å²	123.9	80%	0.801	73%	0.732	S	S	*	*			trans	-73.2	91.2	161.9	-86	158.1	0	0	0	108.1	I563	L561-I563 HydrophobicContact CB-CD1 4.47Å; L561-I563 HydrophobicContact CB-CG1 4.33Å; L561-I563 HydrophobicContact CD2-CD1 4.32Å; L561-I563 HydrophobicContact CD2-CG1 4.31Å; L561-I563 PolarHBondContact O-N 3.43Å
562	D	25.1	Very low	31.6	Very low	136 Å²	136	119.8 Å²	119.8	73%	0.727	71%	0.709	S	S	*	*			trans	-73.3	76.9	162	-82.1	-30.6	0	0	0	109.1	T560 S564	T560-D562 PolarHBondContact O-N 3.45Å; T560-D562 VanDerWaalsContact O-N 3.11Å; D562-S564 PolarHBondContact O-N 2.9Å
563	I	27.7	Very low	33.6	Very low	145 Å²	145	115.7 Å²	115.7	74%	0.744	68%	0.679	S	S	*	*			trans	-82	75.3	159.4	-58	171.5	0	0	0	106.1	L561	L561-I563 HydrophobicContact CB-CD1 4.47Å; L561-I563 HydrophobicContact CB-CG1 4.33Å; L561-I563 HydrophobicContact CD2-CD1 4.32Å; L561-I563 HydrophobicContact CD2-CG1 4.31Å; L561-I563 PolarHBondContact O-N 3.43Å
564	S	26.6	Very low	36.2	Very low	88 Å²	88	112.4 Å²	112.4	62%	0.615	65%	0.653	S	S	*	*			trans	-148.7	133	161.1	69.2	0	0	0	0	109.1	D562	D562-S564 PolarHBondContact O-N 2.9Å
565	S	27.1	Very low	39.4	Very low	111 Å²	111	107.7 Å²	107.7	78%	0.776	62%	0.624	S	S	*	*	S	Bend	trans	83.5	58.4	170	74.9	0	0	0	0	120
566	N	31	Very low	42.6	Very low	138 Å²	138	105.2 Å²	105.2	74%	0.738	60%	0.603	S	S	*	*			trans	-151.6	18.6	152.5	-113.1	-16.4	0	0	0	117.8	N568	N566-N568 VanDerWaalsContact C-N 3.34Å; N566-N568 PolarHBondContact O-N 2.91Å
567	N	31.2	Very low	46.1	Very low	157 Å²	157	99.9 Å²	99.9	84%	0.84	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	3.1	-173.3	-81.8	-11.8	0	0	0	116.7
568	N	37.9	Very low	49.3	Very low	139 Å²	139	93.2 Å²	93.2	74%	0.743	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-18.9	179.4	-86	-1.1	0	0	0	115.1	N566 N570	N566-N568 VanDerWaalsContact C-N 3.34Å; N566-N568 PolarHBondContact O-N 2.91Å; N568-N570 VanDerWaalsContact C-N 3.32Å; N568-N570 PolarHBondContact O-N 3.13Å
569	C	40	Very low	52.7	Low	95 Å²	95	92.6 Å²	92.6	64%	0.642	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-14.3	-173.9	-84.7	0	0	0	0	115.2
570	N	46.8	Very low	56	Low	99 Å²	99	91.3 Å²	91.3	53%	0.529	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	13.7	-171.9	-74.9	-24.1	0	0	0	115.1	N568 I572	N568-N570 VanDerWaalsContact C-N 3.32Å; N568-N570 PolarHBondContact O-N 3.13Å; N570-I572 PolarHBondContact O-N 3.03Å
571	Q	53.9	Low	59.2	Low	96 Å²	96	87.9 Å²	87.9	45%	0.449	49%	0.494	S	S	.	.			trans	-59.5	116.2	173.6	-90.2	-177	-8.3	0	0	110.7	K474 V573	K474-Q571 WeakPolarHBondContact CE-O 3.39Å; K474-Q571 PolarHBondContact NZ-O 3.02Å; Q571-V573 PolarHBondContact O-N 2.82Å
572	I	59.9	Low	62.5	Low	84 Å²	84	84.5 Å²	84.5	43%	0.431	48%	0.48	S	S	.	.			trans	-59.9	117	172.7	-46.9	-164	0	0	0	107.4	L478 N570 N574	L478-I572 HydrophobicContact CD1-CG2 4.47Å; L478-I572 HydrophobicContact CD2-CB 3.92Å; L478-I572 HydrophobicContact CD2-CD1 3.95Å; L478-I572 HydrophobicContact CD2-CG1 3.54Å; L478-I572 HydrophobicContact CD2-CG2 3.78Å; N570-I572 PolarHBondContact O-N 3.03Å; I572-N574 WeakPolarHBondContact CG2-OD1 3.38Å; I572-N574 PolarHBondContact O-N 2.97Å
573	V	68.9	Low	65.8	Low	16 Å²	16	78 Å²	78	10%	0.097	45%	0.445	C	S	.	.			trans	-76.4	97.5	173.7	-172.3	0	0	0	0	107.4	L126 K474 Q571 P606 L608	L126-V573 HydrophobicContact CD2-CB 4.22Å; L126-V573 HydrophobicContact CD2-CG1 4.39Å; L126-V573 HydrophobicContact CG-CB 4.36Å; L126-V573 HydrophobicContact CG-CG1 3.99Å; L126-V573 WeakPolarHBondContact O-CG1 3.36Å; K474-V573 HydrophobicContact CD-CG2 3.94Å; Q571-V573 PolarHBondContact O-N 2.82Å; V573-P606 HydrophobicContact CG1-CB 4.35Å; V573-P606 HydrophobicContact CG1-CG 4.04Å; V573-P606 HydrophobicContact CG2-CB 3.94Å; V573-L608 HydrophobicContact CG2-CD2 4.5Å
574	N	81.3	Confident	69	Low	65 Å²	65	74.7 Å²	74.7	35%	0.348	43%	0.433	S	S	.	.			trans	-101.8	151.8	167.1	-67.1	-38.1	0	0	0	108.3	I572 L576	I572-N574 WeakPolarHBondContact CG2-OD1 3.38Å; I572-N574 PolarHBondContact O-N 2.97Å; N574-L576 PolarHBondContact O-N 3.01Å
575	P	89.6	Confident	72.2	Confident	36 Å²	36	74.3 Å²	74.3	23%	0.234	42%	0.42	C	S	.	.			trans	-51.6	127.2	170.2	-27.1	37.6	0	0	0	110.2	E142 V144 W591	E142-P575 VanDerWaalsContact OE1-CA 3.29Å; E142-P575 WeakPolarHBondContact OE1-CA 3.39Å; V144-P575 HydrophobicContact CB-CB 4.13Å; V144-P575 HydrophobicContact CB-CG 3.81Å; V144-P575 HydrophobicContact CG1-CB 4.07Å; V144-P575 HydrophobicContact CG1-CG 4.31Å; V144-P575 WeakPolarHBondContact O-CG 3.13Å; P575-W591 HydrophobicContact CB-CH2 4.37Å; P575-W591 HydrophobicContact CB-CZ3 3.79Å; P575-W591 HydrophobicContact CG-CH2 3.8Å; P575-W591 HydrophobicContact CG-CZ3 3.74Å
576	L	94	Very high	75.4	Confident	50 Å²	50	70.9 Å²	70.9	26%	0.262	40%	0.395	S	S	.	.	S	Bend	trans	-96.1	-35	-176.5	-69.2	177.6	0	0	0	111.8	E142 N574 K604	E142-L576 PolarHBondContact OE1-N 3.07Å; E142-L576 PolarHBondContact OE2-N 3.1Å; N574-L576 PolarHBondContact O-N 3.01Å; L576-K604 HydrophobicContact CD1-CB 4.44Å; L576-K604 WeakPolarHBondContact CD1-O 3.38Å; L576-K604 HydrophobicContact CD2-CB 4.41Å
577	W	96	Very high	78.5	Confident	12 Å²	12	71.4 Å²	71.4	5%	0.045	39%	0.39	C	S	.	.	S	Bend	trans	-108.9	-11.3	-165	-48.3	120.9	0	0	0	112.6	E142 I593 T594 D596 Y597 W602	E142-W577 WeakPolarHBondContact OE2-CB 2.98Å; E142-W577 PolarHBondContact OE2-N 3.47Å; W577-I593 CarbonylContact O-C 3.47Å; W577-I593 WeakPolarHBondContact O-CA 3.4Å; W577-T594 PolarHBondContact O-N 2.85Å; W577-T594 PolarHBondContact O-OG1 3.42Å; W577-D596 HydrophobicContact CE3-CB 4.35Å; W577-D596 HydrophobicContact CZ3-CB 4.08Å; W577-Y597 HydrophobicContact CB-CD2 4.16Å; W577-Y597 AromaticContact CD1-CD2 3.72Å; W577-Y597 AromaticContact CD2-CD2 3.54Å; W577-Y597 HydrophobicContact CD2-CD2 3.54Å; W577-Y597 HydrophobicContact CD2-CE2 4.43Å; W577-Y597 HydrophobicContact CD2-CG 4.38Å; W577-Y597 AromaticContact CE2-CD2 3.7Å; W577-Y597 HydrophobicContact CE3-CD2 4.1Å; W577-Y597 AromaticContact CG-CD2 3.54Å; W577-Y597 HydrophobicContact CG-CD2 3.54Å; W577-Y597 HydrophobicContact CG-CE2 4.29Å; W577-Y597 HydrophobicContact CG-CG 4.44Å; W577-Y597 HydrophobicContact CZ2-CD2 4.35Å; W577-Y597 AromaticContact NE1-CD2 3.79Å; W577-Y597 AromaticContact NE1-CE2 3.94Å; W577-W602 AromaticContact CH2-CE3 3.98Å; W577-W602 HydrophobicContact CH2-CE3 3.98Å; W577-W602 AromaticContact CH2-CZ3 3.9Å; W577-W602 HydrophobicContact CH2-CZ3 3.9Å; W577-W602 AromaticContact CZ2-CE3 3.88Å; W577-W602 HydrophobicContact CZ2-CE3 3.88Å; W577-W602 AromaticContact CZ2-CZ3 3.85Å; W577-W602 HydrophobicContact CZ2-CZ3 3.85Å
578	F	96.2	Very high	81.5	Confident	2 Å²	2	67.5 Å²	67.5	1%	0.009	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	145.2	177.7	-67.3	-97.4	0	0	0	111.8	V140 E142 V144 A152 H154 W591 L592 I593	V140-F578 HydrophobicContact CG1-CZ 4.23Å; E142-F578 HydrophobicContact CB-CD2 3.55Å; E142-F578 HydrophobicContact CB-CE2 3.7Å; E142-F578 WeakPolarHBondContact OE2-CD2 3.46Å; E142-F578 PolarHBondContact OE2-N 3.48Å; V144-F578 HydrophobicContact CG1-CB 3.86Å; V144-F578 HydrophobicContact CG1-CD2 4.41Å; V144-F578 HydrophobicContact CG1-CG 4.32Å; A152-F578 HydrophobicContact CB-CB 4.22Å; A152-F578 HydrophobicContact CB-CD1 3.55Å; A152-F578 HydrophobicContact CB-CD2 4.21Å; A152-F578 HydrophobicContact CB-CE1 3.87Å; A152-F578 HydrophobicContact CB-CG 3.73Å; A152-F578 HydrophobicContact CB-CZ 4.35Å; H154-F578 HydrophobicContact CB-CE1 3.96Å; H154-F578 HydrophobicContact CB-CZ 4.16Å; F578-W591 HydrophobicContact CB-CB 4.21Å; F578-W591 HydrophobicContact CB-CE3 3.86Å; F578-W591 HydrophobicContact CD1-CB 4.34Å; F578-W591 WeakPolarHBondContact O-CZ3 3.01Å; F578-L592 CarbonylContact C-O 3.53Å; F578-L592 VanDerWaalsContact CA-O 3.22Å; F578-L592 WeakPolarHBondContact CA-O 3.39Å; F578-I593 HydrophobicContact CD1-CB 4.43Å; F578-I593 HydrophobicContact CE1-CB 4.19Å
579	I	95.2	Very high	84	Confident	91 Å²	91	67.7 Å²	67.7	47%	0.467	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.6	175.7	53.4	166.6	0	0	0	111.2	W591 L592 T594	I579-W591 VanDerWaalsContact C-CE3 3.46Å; I579-W591 CarbonylContact O-C 3.35Å; I579-W591 WeakPolarHBondContact O-CA 3.25Å; I579-L592 HydrophobicContact CG1-CB 4.4Å; I579-L592 WeakPolarHBondContact CG1-O 3.39Å; I579-L592 PolarHBondContact N-O 3.36Å; I579-L592 PolarHBondContact O-N 3.16Å; I579-T594 HydrophobicContact CG1-CG2 4.46Å; I579-T594 HydrophobicContact CG2-CG2 3.7Å
580	P	94.5	Very high	86.7	Confident	93 Å²	93	63.5 Å²	63.5	60%	0.604	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.8	142.6	172.7	-20	31.4	0	0	0	111.7	E590 W591	P580-E590 CarbonylContact C-O 3.59Å; P580-W591 VanDerWaalsContact CD-CZ3 3.45Å; P580-W591 HydrophobicContact CG-CE3 4.19Å; P580-W591 HydrophobicContact CG-CH2 3.58Å; P580-W591 HydrophobicContact CG-CZ2 3.91Å; P580-W591 HydrophobicContact CG-CZ3 3.73Å
581	S	94.7	Very high	89	Confident	39 Å²	39	61.4 Å²	61.4	27%	0.273	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	177.7	178.5	-171.4	0	0	0	0	110.2	E589 E590 L592	S581-E589 WeakPolarHBondContact O-CA 3.33Å; S581-E590 CarbonylContact C-O 3.58Å; S581-E590 PolarHBondContact N-O 3.16Å; S581-E590 PolarHBondContact O-N 2.99Å; S581-E590 VanDerWaalsContact O-O 3.08Å; S581-L592 VanDerWaalsContact OG-CD1 3.29Å; S581-L592 WeakPolarHBondContact OG-CD1 3.49Å
582	V	94.9	Very high	91	Very high	83 Å²	83	59.3 Å²	59.3	50%	0.503	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	126	173.9	178.4	0	0	0	0	108.6	Q588	V582-Q588 WeakPolarHBondContact CA-O 3.46Å
583	N	94.8	Very high	92.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.295	C	S	.	.			trans	-61.7	127.7	179.5	-172.8	-82.3	0	0	0	110.2	R163 L184 T186 F585 T586 K587 Q588 E590	R163-N583 PolarHBondContact NH2-ND2 2.65Å; L184-N583 HydrophobicContact CD2-CB 3.66Å; L184-N583 VanDerWaalsContact CD2-CG 3.46Å; L184-N583 WeakPolarHBondContact CD2-ND2 3.44Å; T186-N583 PolarHBondContact OG1-ND2 2.95Å; N583-F585 PolarHBondContact O-N 2.94Å; N583-F585 PolarHBondContact OD1-N 2.97Å; N583-T586 WeakPolarHBondContact CB-OG1 3.5Å; N583-T586 PolarHBondContact OD1-N 3.49Å; N583-T586 VanDerWaalsContact OD1-N 3.12Å; N583-T586 PolarHBondContact OD1-OG1 3.38Å; N583-K587 VanDerWaalsContact O-CA 3.3Å; N583-K587 WeakPolarHBondContact O-CA 3.47Å; N583-K587 PolarHBondContact O-N 3.35Å; N583-Q588 PolarHBondContact N-O 3.19Å; N583-E590 WeakPolarHBondContact CA-OE1 3.41Å; N583-E590 HydrophobicContact CB-CG 4.34Å; N583-E590 PolarHBondContact ND2-OE2 3.11Å
584	P	94.1	Very high	93.7	Very high	74 Å²	74	57.2 Å²	57.2	48%	0.481	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-24.8	-172	25.6	-34.2	0	0	0	113.1	K587	P584-K587 PolarHBondContact O-NZ 2.95Å
585	F	93.7	Very high	94	Very high	81 Å²	81	54.3 Å²	54.3	36%	0.355	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-49.9	-176.9	-51.1	-73.2	0	0	0	112.1	S195 H226 N583	S195-F585 WeakPolarHBondContact OG-CE2 3.35Å; S195-F585 VanDerWaalsContact OG-CZ 3.29Å; S195-F585 WeakPolarHBondContact OG-CZ 3.46Å; H226-F585 HydrophobicContact CB-CB 4.27Å; H226-F585 HydrophobicContact CB-CD1 3.44Å; H226-F585 VanDerWaalsContact CB-CD1 3.44Å; H226-F585 HydrophobicContact CB-CE1 3.85Å; H226-F585 HydrophobicContact CB-CG 3.85Å; H226-F585 AromaticContact CD2-CG 3.78Å; H226-F585 AromaticContact CG-CD1 3.74Å; H226-F585 AromaticContact CG-CG 3.63Å; N583-F585 PolarHBondContact O-N 2.94Å; N583-F585 PolarHBondContact OD1-N 2.97Å
586	T	95.3	Very high	94	Very high	39 Å²	39	55.8 Å²	55.8	24%	0.239	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-12.6	-172.7	66.2	0	0	0	0	113.8	L184 T197 N583 Q588	L184-T586 HydrophobicContact CD1-CG2 4.1Å; L184-T586 HydrophobicContact CD2-CG2 4.12Å; L184-T586 WeakPolarHBondContact CD2-OG1 3.49Å; T197-T586 HydrophobicContact CG2-CG2 4.18Å; N583-T586 WeakPolarHBondContact CB-OG1 3.5Å; N583-T586 PolarHBondContact OD1-N 3.49Å; N583-T586 VanDerWaalsContact OD1-N 3.12Å; N583-T586 PolarHBondContact OD1-OG1 3.38Å; T586-Q588 PolarHBondContact O-N 3.48Å; T586-Q588 VanDerWaalsContact O-N 3.15Å; T586-Q588 PolarHBondContact OG1-N 2.92Å
587	K	95.2	Very high	93.9	Very high	149 Å²	149	53.4 Å²	53.4	65%	0.648	28%	0.28	S	S	*	.			trans	59.9	14.3	-173.2	-48.6	-53.3	-176	-167.2	0	114.5	N583 P584	N583-K587 VanDerWaalsContact O-CA 3.3Å; N583-K587 WeakPolarHBondContact O-CA 3.47Å; N583-K587 PolarHBondContact O-N 3.35Å; P584-K587 PolarHBondContact O-NZ 2.95Å
588	Q	94.2	Very high	93.7	Very high	74 Å²	74	53.3 Å²	53.3	35%	0.346	28%	0.28	S	S	.	.			trans	-80.2	147.8	174.4	-63.5	-178.2	-0.6	0	0	110.4	L184 Q199 V582 N583 T586	L184-Q588 HydrophobicContact CD2-CB 4.48Å; Q199-Q588 VanDerWaalsContact NE2-NE2 3.15Å; V582-Q588 WeakPolarHBondContact CA-O 3.46Å; N583-Q588 PolarHBondContact N-O 3.19Å; T586-Q588 PolarHBondContact O-N 3.48Å; T586-Q588 VanDerWaalsContact O-N 3.15Å; T586-Q588 PolarHBondContact OG1-N 2.92Å
589	E	92.1	Very high	93.4	Very high	144 Å²	144	58.6 Å²	58.6	67%	0.673	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.9	136.1	171.1	-63.9	-179.3	165.4	0	0	110.1	S581	S581-E589 WeakPolarHBondContact O-CA 3.33Å
590	E	95	Very high	93.2	Very high	7 Å²	7	56.9 Å²	56.9	3%	0.033	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	170.7	175	69.8	180	174.4	0	0	110.4	R163 P580 S581 N583 L592	R163-E590 IonicContact CZ-OE1 3.24Å; R163-E590 IonicContact CZ-OE2 2.69Å; R163-E590 IonicContact NE-OE1 3.04Å; R163-E590 PolarHBondContact NE-OE1 3.26Å; R163-E590 IonicContact NE-OE2 2.88Å; R163-E590 PolarHBondContact NE-OE2 3.14Å; R163-E590 IonicContact NH2-OE1 2.8Å; R163-E590 PolarHBondContact NH2-OE1 3.3Å; R163-E590 IonicContact NH2-OE2 3.79Å; R163-E590 PolarHBondContact NH2-OE2 3.23Å; P580-E590 CarbonylContact C-O 3.59Å; S581-E590 CarbonylContact C-O 3.58Å; S581-E590 PolarHBondContact N-O 3.16Å; S581-E590 PolarHBondContact O-N 2.99Å; S581-E590 VanDerWaalsContact O-O 3.08Å; N583-E590 WeakPolarHBondContact CA-OE1 3.41Å; N583-E590 HydrophobicContact CB-CG 4.34Å; N583-E590 PolarHBondContact ND2-OE2 3.11Å; E590-L592 HydrophobicContact CG-CD2 4.32Å
591	W	95.7	Very high	93.1	Very high	54 Å²	54	56.3 Å²	56.3	21%	0.205	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128.2	172.8	-73.1	77.4	0	0	0	109.6	V144 A152 T165 P575 F578 I579 P580	V144-W591 HydrophobicContact CB-CD2 4.04Å; V144-W591 HydrophobicContact CB-CE3 4.02Å; V144-W591 HydrophobicContact CB-CH2 4.15Å; V144-W591 HydrophobicContact CB-CZ2 4.18Å; V144-W591 HydrophobicContact CB-CZ3 4.07Å; V144-W591 HydrophobicContact CG1-CD2 4.17Å; V144-W591 HydrophobicContact CG1-CE3 3.96Å; V144-W591 HydrophobicContact CG1-CZ3 4.33Å; V144-W591 HydrophobicContact CG2-CD2 3.82Å; V144-W591 HydrophobicContact CG2-CE3 4.32Å; V144-W591 HydrophobicContact CG2-CG 4.13Å; V144-W591 HydrophobicContact CG2-CZ2 4.04Å; A152-W591 HydrophobicContact CB-CB 3.56Å; A152-W591 HydrophobicContact CB-CG 4.15Å; T165-W591 PolarHBondContact OG1-N 2.85Å; P575-W591 HydrophobicContact CB-CH2 4.37Å; P575-W591 HydrophobicContact CB-CZ3 3.79Å; P575-W591 HydrophobicContact CG-CH2 3.8Å; P575-W591 HydrophobicContact CG-CZ3 3.74Å; F578-W591 HydrophobicContact CB-CB 4.21Å; F578-W591 HydrophobicContact CB-CE3 3.86Å; F578-W591 HydrophobicContact CD1-CB 4.34Å; F578-W591 WeakPolarHBondContact O-CZ3 3.01Å; I579-W591 VanDerWaalsContact C-CE3 3.46Å; I579-W591 CarbonylContact O-C 3.35Å; I579-W591 WeakPolarHBondContact O-CA 3.25Å; P580-W591 VanDerWaalsContact CD-CZ3 3.45Å; P580-W591 HydrophobicContact CG-CE3 4.19Å; P580-W591 HydrophobicContact CG-CH2 3.58Å; P580-W591 HydrophobicContact CG-CZ2 3.91Å; P580-W591 HydrophobicContact CG-CZ3 3.73Å
592	L	95.3	Very high	93	Very high	53 Å²	53	56.2 Å²	56.2	28%	0.277	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	141.9	179	-64.3	-177.7	0	0	0	110.6	R163 F578 I579 S581 E590	R163-L592 VanDerWaalsContact CD-CD2 3.47Å; F578-L592 CarbonylContact C-O 3.53Å; F578-L592 VanDerWaalsContact CA-O 3.22Å; F578-L592 WeakPolarHBondContact CA-O 3.39Å; I579-L592 HydrophobicContact CG1-CB 4.4Å; I579-L592 WeakPolarHBondContact CG1-O 3.39Å; I579-L592 PolarHBondContact N-O 3.36Å; I579-L592 PolarHBondContact O-N 3.16Å; S581-L592 VanDerWaalsContact OG-CD1 3.29Å; S581-L592 WeakPolarHBondContact OG-CD1 3.49Å; E590-L592 HydrophobicContact CG-CD2 4.32Å
593	I	95.1	Very high	93	Very high	21 Å²	21	56.5 Å²	56.5	11%	0.108	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	139.4	173.3	-163.9	176.7	0	0	0	110.5	V140 H154 W577 F578 G595	V140-I593 HydrophobicContact CG1-CD1 3.52Å; H154-I593 HydrophobicContact CB-CB 4Å; H154-I593 HydrophobicContact CB-CD1 4.16Å; H154-I593 HydrophobicContact CB-CG2 4.28Å; W577-I593 CarbonylContact O-C 3.47Å; W577-I593 WeakPolarHBondContact O-CA 3.4Å; F578-I593 HydrophobicContact CD1-CB 4.43Å; F578-I593 HydrophobicContact CE1-CB 4.19Å; I593-G595 VanDerWaalsContact C-N 3.32Å
594	T	92	Very high	92.8	Very high	34 Å²	34	62.8 Å²	62.8	21%	0.209	31%	0.309	C	S	.	.			trans	-73.7	-26.3	177	57.4	0	0	0	0	112.7	W577 I579 D596	W577-T594 PolarHBondContact O-N 2.85Å; W577-T594 PolarHBondContact O-OG1 3.42Å; I579-T594 HydrophobicContact CG1-CG2 4.46Å; I579-T594 HydrophobicContact CG2-CG2 3.7Å; T594-D596 VanDerWaalsContact C-N 3.32Å; T594-D596 PolarHBondContact OG1-N 3.12Å
595	G	85.6	Confident	92.8	Very high	5 Å²	5	60 Å²	60	5%	0.052	29%	0.291	C	S	.	.	S	Bend	trans	88.3	-7.9	-171.9	0	0	0	0	0	113.9	Q16 I593 Y597	Q16-G595 PolarHBondContact OE1-O 3.31Å; I593-G595 VanDerWaalsContact C-N 3.32Å; G595-Y597 VanDerWaalsContact C-N 3.35Å
596	D	90.2	Very high	92.7	Very high	66 Å²	66	56.5 Å²	56.5	35%	0.353	28%	0.276	S	S	.	.			trans	-78.4	-18.7	-178.2	-71.9	-29.2	0	0	0	113.5	W577 T594 W598 K599	W577-D596 HydrophobicContact CE3-CB 4.35Å; W577-D596 HydrophobicContact CZ3-CB 4.08Å; T594-D596 VanDerWaalsContact C-N 3.32Å; T594-D596 PolarHBondContact OG1-N 3.12Å; D596-W598 VanDerWaalsContact C-N 3.31Å; D596-W598 PolarHBondContact O-N 3.26Å; D596-K599 HydrophobicContact CB-CD 4.43Å; D596-K599 VanDerWaalsContact O-CB 3.3Å; D596-K599 WeakPolarHBondContact O-CB 3.48Å; D596-K599 PolarHBondContact O-N 3.05Å; D596-K599 VanDerWaalsContact O-N 3.13Å; D596-K599 VanDerWaalsContact OD1-CE 3.26Å; D596-K599 WeakPolarHBondContact OD1-CE 3.4Å; D596-K599 IonicContact OD1-NZ 3.07Å; D596-K599 PolarHBondContact OD1-NZ 3.18Å
597	Y	92.9	Very high	92.5	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-56.5	-44.7	-179.1	-170.8	-96.9	0	0	0	112	T129 E131 V140 P439 W577 G595 K599 R600 W602	T129-Y597 HydrophobicContact CG2-CE2 4.5Å; E131-Y597 HydrophobicContact CB-CE1 4.27Å; E131-Y597 HydrophobicContact CG-CE1 4.31Å; E131-Y597 VanDerWaalsContact OE2-CE1 3.23Å; E131-Y597 WeakPolarHBondContact OE2-CE1 3.3Å; E131-Y597 PolarHBondContact OE2-OH 3.23Å; V140-Y597 HydrophobicContact CB-CD1 4.1Å; V140-Y597 HydrophobicContact CB-CE1 4.01Å; V140-Y597 HydrophobicContact CG2-CD1 3.71Å; V140-Y597 HydrophobicContact CG2-CD2 3.85Å; V140-Y597 HydrophobicContact CG2-CE1 3.53Å; V140-Y597 HydrophobicContact CG2-CE2 3.68Å; V140-Y597 HydrophobicContact CG2-CG 3.87Å; P439-Y597 WeakPolarHBondContact CD-OH 3.47Å; P439-Y597 HydrophobicContact CG-CE2 4.04Å; P439-Y597 WeakPolarHBondContact CG-OH 3.48Å; W577-Y597 HydrophobicContact CB-CD2 4.16Å; W577-Y597 AromaticContact CD1-CD2 3.72Å; W577-Y597 AromaticContact CD2-CD2 3.54Å; W577-Y597 HydrophobicContact CD2-CD2 3.54Å; W577-Y597 HydrophobicContact CD2-CE2 4.43Å; W577-Y597 HydrophobicContact CD2-CG 4.38Å; W577-Y597 AromaticContact CE2-CD2 3.7Å; W577-Y597 HydrophobicContact CE3-CD2 4.1Å; W577-Y597 AromaticContact CG-CD2 3.54Å; W577-Y597 HydrophobicContact CG-CD2 3.54Å; W577-Y597 HydrophobicContact CG-CE2 4.29Å; W577-Y597 HydrophobicContact CG-CG 4.44Å; W577-Y597 HydrophobicContact CZ2-CD2 4.35Å; W577-Y597 AromaticContact NE1-CD2 3.79Å; W577-Y597 AromaticContact NE1-CE2 3.94Å; G595-Y597 VanDerWaalsContact C-N 3.35Å; Y597-K599 PolarHBondContact O-N 3.13Å; Y597-K599 VanDerWaalsContact O-N 3.17Å; Y597-R600 PolarHBondContact O-N 2.89Å; Y597-W602 HydrophobicContact CD1-CH2 4.46Å; Y597-W602 HydrophobicContact CD2-CH2 4.34Å; Y597-W602 HydrophobicContact CD2-CZ3 4.12Å; Y597-W602 HydrophobicContact CE1-CH2 4.34Å; Y597-W602 HydrophobicContact CE2-CH2 4.23Å; Y597-W602 HydrophobicContact CE2-CZ3 4.19Å; Y597-W602 HydrophobicContact CG-CH2 4.46Å; Y597-W602 WeakPolarHBondContact O-CH2 3.37Å; Y597-W602 WeakPolarHBondContact O-CZ3 3.37Å
598	W	90.5	Very high	92.5	Very high	10 Å²	10	53.4 Å²	53.4	4%	0.038	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-73.4	-7	-176.7	-52.8	122.1	0	0	0	114	Q16 I20 E131 V138 V140 D596 R600	Q16-W598 HydrophobicContact CB-CB 3.68Å; I20-W598 HydrophobicContact CD1-CB 4.04Å; I20-W598 HydrophobicContact CD1-CD2 3.86Å; I20-W598 HydrophobicContact CD1-CE3 3.27Å; I20-W598 HydrophobicContact CD1-CG 4.21Å; I20-W598 HydrophobicContact CD1-CZ3 4Å; E131-W598 HydrophobicContact CG-CH2 4.24Å; E131-W598 HydrophobicContact CG-CZ3 4.04Å; V138-W598 HydrophobicContact CB-CH2 3.64Å; V138-W598 HydrophobicContact CB-CZ2 3.94Å; V138-W598 HydrophobicContact CB-CZ3 4.26Å; V138-W598 HydrophobicContact CG1-CH2 4.48Å; V138-W598 HydrophobicContact CG2-CH2 3.81Å; V138-W598 HydrophobicContact CG2-CZ2 3.57Å; V140-W598 HydrophobicContact CB-CH2 4.07Å; V140-W598 HydrophobicContact CB-CZ2 4.07Å; V140-W598 HydrophobicContact CG1-CH2 4.36Å; V140-W598 HydrophobicContact CG1-CZ2 3.84Å; D596-W598 VanDerWaalsContact C-N 3.31Å; D596-W598 PolarHBondContact O-N 3.26Å; W598-R600 PolarHBondContact O-N 3.16Å
599	K	90	Very high	92.5	Very high	113 Å²	113	51.7 Å²	51.7	49%	0.491	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-71.7	-13.6	171.1	-63.1	176.5	178.9	172.7	0	112.9	D596 Y597 D601	D596-K599 HydrophobicContact CB-CD 4.43Å; D596-K599 VanDerWaalsContact O-CB 3.3Å; D596-K599 WeakPolarHBondContact O-CB 3.48Å; D596-K599 PolarHBondContact O-N 3.05Å; D596-K599 VanDerWaalsContact O-N 3.13Å; D596-K599 VanDerWaalsContact OD1-CE 3.26Å; D596-K599 WeakPolarHBondContact OD1-CE 3.4Å; D596-K599 IonicContact OD1-NZ 3.07Å; D596-K599 PolarHBondContact OD1-NZ 3.18Å; Y597-K599 PolarHBondContact O-N 3.13Å; Y597-K599 VanDerWaalsContact O-N 3.17Å; K599-D601 PolarHBondContact O-N 3.05Å
600	R	90.8	Very high	92.5	Very high	55 Å²	55	47.1 Å²	47.1	21%	0.208	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	26.2	179.2	-49.9	-71.1	-174.7	177.8	-9.2	114.4	E131 F437 Y597 W598 W602	E131-R600 VanDerWaalsContact CD-NH1 3.26Å; E131-R600 IonicContact OE1-CZ 3.4Å; E131-R600 IonicContact OE1-NH1 3.68Å; E131-R600 PolarHBondContact OE1-NH1 2.99Å; E131-R600 IonicContact OE1-NH2 3.46Å; E131-R600 PolarHBondContact OE1-NH2 3.03Å; E131-R600 IonicContact OE2-CZ 2.91Å; E131-R600 IonicContact OE2-NH1 3.78Å; E131-R600 PolarHBondContact OE2-NH1 3.18Å; E131-R600 IonicContact OE2-NH2 2.63Å; F437-R600 WeakPolarHBondContact O-CD 3.35Å; F437-R600 PolarHBondContact O-NH1 3.1Å; Y597-R600 PolarHBondContact O-N 2.89Å; W598-R600 PolarHBondContact O-N 3.16Å; R600-W602 VanDerWaalsContact CA-CZ2 3.5Å; R600-W602 HydrophobicContact CB-CH2 4.49Å; R600-W602 HydrophobicContact CB-CZ2 3.93Å; R600-W602 HydrophobicContact CG-CZ2 4.25Å
601	D	92.6	Very high	92.4	Very high	82 Å²	82	49.2 Å²	49.2	44%	0.439	25%	0.246	S	C	.	.			trans	-91.3	99.9	172.3	177.3	9.6	0	0	0	110.5	K599 S603	K599-D601 PolarHBondContact O-N 3.05Å; D601-S603 WeakPolarHBondContact OD1-CB 3.32Å; D601-S603 PolarHBondContact OD1-N 3.04Å; D601-S603 PolarHBondContact OD1-OG 3.45Å; D601-S603 PolarHBondContact OD2-OG 3.37Å
602	W	94.1	Very high	92.2	Very high	36 Å²	36	48.9 Å²	48.9	14%	0.136	25%	0.248	C	C	.	.			trans	-91.4	4.7	-177	-47.1	138.7	0	0	0	114.3	Q436 F437 P439 W577 Y597 R600 K604 C605	Q436-W602 PolarHBondContact O-NE1 3.18Å; F437-W602 WeakPolarHBondContact O-CZ2 3.25Å; P439-W602 HydrophobicContact CB-CD2 3.9Å; P439-W602 HydrophobicContact CB-CE3 3.9Å; P439-W602 HydrophobicContact CB-CG 4.31Å; P439-W602 HydrophobicContact CB-CZ3 4.26Å; W577-W602 AromaticContact CH2-CE3 3.98Å; W577-W602 HydrophobicContact CH2-CE3 3.98Å; W577-W602 AromaticContact CH2-CZ3 3.9Å; W577-W602 HydrophobicContact CH2-CZ3 3.9Å; W577-W602 AromaticContact CZ2-CE3 3.88Å; W577-W602 HydrophobicContact CZ2-CE3 3.88Å; W577-W602 AromaticContact CZ2-CZ3 3.85Å; W577-W602 HydrophobicContact CZ2-CZ3 3.85Å; Y597-W602 HydrophobicContact CD1-CH2 4.46Å; Y597-W602 HydrophobicContact CD2-CH2 4.34Å; Y597-W602 HydrophobicContact CD2-CZ3 4.12Å; Y597-W602 HydrophobicContact CE1-CH2 4.34Å; Y597-W602 HydrophobicContact CE2-CH2 4.23Å; Y597-W602 HydrophobicContact CE2-CZ3 4.19Å; Y597-W602 HydrophobicContact CG-CH2 4.46Å; Y597-W602 WeakPolarHBondContact O-CH2 3.37Å; Y597-W602 WeakPolarHBondContact O-CZ3 3.37Å; R600-W602 VanDerWaalsContact CA-CZ2 3.5Å; R600-W602 HydrophobicContact CB-CH2 4.49Å; R600-W602 HydrophobicContact CB-CZ2 3.93Å; R600-W602 HydrophobicContact CG-CZ2 4.25Å; W602-K604 PolarHBondContact O-N 3.26Å; W602-K604 VanDerWaalsContact O-N 3.1Å; W602-C605 VanDerWaalsContact O-CB 3.3Å; W602-C605 WeakPolarHBondContact O-CB 3.5Å; W602-C605 PolarHBondContact O-N 3.03Å
603	S	92.9	Very high	92	Very high	90 Å²	90	48.7 Å²	48.7	63%	0.629	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-25	-176.8	62.3	0	0	0	0	113.8	D601	D601-S603 WeakPolarHBondContact OD1-CB 3.32Å; D601-S603 PolarHBondContact OD1-N 3.04Å; D601-S603 PolarHBondContact OD1-OG 3.45Å; D601-S603 PolarHBondContact OD2-OG 3.37Å
604	K	91.1	Very high	91.8	Very high	132 Å²	132	50.4 Å²	50.4	57%	0.574	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-9	179.3	-61.9	179.8	-175.1	171.9	0	113.7	L576 W602	L576-K604 HydrophobicContact CD1-CB 4.44Å; L576-K604 WeakPolarHBondContact CD1-O 3.38Å; L576-K604 HydrophobicContact CD2-CB 4.41Å; W602-K604 PolarHBondContact O-N 3.26Å; W602-K604 VanDerWaalsContact O-N 3.1Å
605	C	94.1	Very high	91.8	Very high	14 Å²	14	51.5 Å²	51.5	10%	0.095	26%	0.258	C	S	.	.			trans	-62.6	134	-176.9	-74.6	0	0	0	0	110.9	P440 T441 W602	P440-C605 HydrophobicContact CG-CB 3.61Å; T441-C605 HydrophobicContact CG2-CB 4.19Å; W602-C605 VanDerWaalsContact O-CB 3.3Å; W602-C605 WeakPolarHBondContact O-CB 3.5Å; W602-C605 PolarHBondContact O-N 3.03Å
606	P	91.2	Very high	92.3	Very high	8 Å²	8	54.9 Å²	54.9	5%	0.052	27%	0.273	C	S	.	.			trans	-69.2	148.7	175.3	30.7	-36.8	0	0	0	110.8	T441 V573 L608	T441-P606 HydrophobicContact CG2-CG 3.9Å; T441-P606 VanDerWaalsContact CG2-O 3.3Å; T441-P606 WeakPolarHBondContact CG2-O 3.49Å; V573-P606 HydrophobicContact CG1-CB 4.35Å; V573-P606 HydrophobicContact CG1-CG 4.04Å; V573-P606 HydrophobicContact CG2-CB 3.94Å; P606-L608 HydrophobicContact CB-CD2 3.91Å; P606-L608 HydrophobicContact CB-CG 4.36Å; P606-L608 HydrophobicContact CG-CD1 4.31Å; P606-L608 HydrophobicContact CG-CD2 3.75Å; P606-L608 HydrophobicContact CG-CG 3.93Å; P606-L608 PolarHBondContact O-N 3.3Å
607	D	92.3	Very high	92.4	Very high	109 Å²	109	54 Å²	54	58%	0.583	27%	0.267	S	S	*	.			trans	-75.7	106.5	164.1	174.7	32.2	0	0	0	110	K470	K470-D607 VanDerWaalsContact NZ-CG 3.27Å; K470-D607 IonicContact NZ-OD1 3.41Å; K470-D607 PolarHBondContact NZ-OD1 3.04Å; K470-D607 IonicContact NZ-OD2 3.29Å; K470-D607 PolarHBondContact NZ-OD2 3.37Å
608	L	93.9	Very high	92.4	Very high	14 Å²	14	58.5 Å²	58.5	7%	0.073	29%	0.289	C	S	.	.			trans	-102.9	-43	-178.5	-59.2	-177.7	0	0	0	112.6	L125 L126 E128 T441 V573 P606	L125-L608 HydrophobicContact CD1-CB 4.23Å; L126-L608 WeakPolarHBondContact O-CD2 3.28Å; E128-L608 HydrophobicContact CB-CD1 4.32Å; T441-L608 HydrophobicContact CG2-CD1 3.53Å; T441-L608 HydrophobicContact CG2-CG 3.85Å; V573-L608 HydrophobicContact CG2-CD2 4.5Å; P606-L608 HydrophobicContact CB-CD2 3.91Å; P606-L608 HydrophobicContact CB-CG 4.36Å; P606-L608 HydrophobicContact CG-CD1 4.31Å; P606-L608 HydrophobicContact CG-CD2 3.75Å; P606-L608 HydrophobicContact CG-CG 3.93Å; P606-L608 PolarHBondContact O-N 3.3Å
609	Y	95.1	Very high	92.6	Very high	39 Å²	39	62.9 Å²	62.9	15%	0.153	31%	0.312	C	S	.	.			trans	-84.8	0	-169	-55.3	-34.6	0	0	0	113.8	L125 E128 P440 T441 D442 R446 R466 L467 K470	L125-Y609 HydrophobicContact CD1-CD1 4.01Å; L125-Y609 HydrophobicContact CD1-CE1 3.97Å; E128-Y609 WeakPolarHBondContact CG-OH 3.46Å; P440-Y609 WeakPolarHBondContact O-CD2 3.4Å; P440-Y609 WeakPolarHBondContact O-CE2 3.45Å; T441-Y609 PolarHBondContact O-OH 3.41Å; D442-Y609 WeakPolarHBondContact O-CE2 3.48Å; D442-Y609 PolarHBondContact O-OH 3.31Å; R446-Y609 HydrophobicContact CB-CD1 4.29Å; R446-Y609 HydrophobicContact CB-CE1 3.69Å; R446-Y609 HydrophobicContact CB-CE2 4.2Å; R446-Y609 HydrophobicContact CG-CD1 3.88Å; R446-Y609 HydrophobicContact CG-CE1 3.43Å; R446-Y609 VanDerWaalsContact CG-CE1 3.43Å; R466-Y609 VanDerWaalsContact CZ-OXT 3.23Å; R466-Y609 PolarHBondContact NH1-OXT 2.69Å; R466-Y609 PolarHBondContact NH2-OXT 3Å; L467-Y609 HydrophobicContact CD2-CD1 4.23Å; L467-Y609 WeakPolarHBondContact CD2-OXT 3.09Å; K470-Y609 PolarHBondContact NZ-O 3.1Å

Retrieved 609 of 609 residues in 1216.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).