A0A087XQ54_POEFO Loading...

Matrix metallopeptidase 16

AlphaFold DB , UniProt , Accession A0A087XQ54, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 612 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.3	Very low	33.1	Very low	235 Å²	235	167.8 Å²	167.8	100%	1.158	84%	0.844	S	S	*	*				0	114.3	0	-94.5	172.2	70.9	0	0	108.6
2	V	34.7	Very low	33.3	Very low	134 Å²	134	166.1 Å²	166.1	81%	0.812	84%	0.838	S	S	*	*			trans	-68	134.2	171.6	169.8	0	0	0	0	109
3	L	30.8	Very low	33.9	Very low	142 Å²	142	161.6 Å²	161.6	74%	0.743	82%	0.818	S	S	*	*			trans	-164.3	108	147.2	-109.8	132.5	0	0	0	111.9
4	L	30	Very low	34.8	Very low	148 Å²	148	158.3 Å²	158.3	78%	0.775	82%	0.817	S	S	*	*			trans	50.5	145.6	139.6	-76.8	104.7	0	0	0	120.4
5	A	31.5	Very low	35.5	Very low	83 Å²	83	161.9 Å²	161.9	69%	0.686	82%	0.816	S	S	*	*			cis	-171.9	139.3	-13.2	0	0	0	0	0	105.6
6	L	35.1	Very low	36	Very low	172 Å²	172	155.1 Å²	155.1	90%	0.901	79%	0.787	S	S	*	*			trans	-61.4	138.5	168.3	-78.3	132	0	0	0	111.3
7	R	30.2	Very low	36.7	Very low	248 Å²	248	154.7 Å²	154.7	94%	0.936	78%	0.784	S	S	*	*			trans	-142	81.3	143.5	-138.9	175.9	-172.7	-174.1	1.8	112.2
8	S	31.7	Very low	37.4	Very low	92 Å²	92	148.4 Å²	148.4	64%	0.643	76%	0.764	S	S	*	*			trans	27.2	116.9	130.8	-156.7	0	0	0	0	118.4
9	R	31.6	Very low	38.3	Very low	227 Å²	227	144.6 Å²	144.6	86%	0.857	75%	0.749	S	S	*	*				160.2	115.8	101.2	-84.2	-169.6	-179.7	-170.7	-1.3	109.5
10	R	33.2	Very low	39.1	Very low	233 Å²	233	142.9 Å²	142.9	88%	0.879	74%	0.74	S	S	*	*				-176.6	123.9	125.2	-98	163.2	-163.5	-158.8	4.8	108.7	L12	R10-L12 PolarHBondContact O-N 3.43Å
11	C	41.3	Very low	39.7	Very low	132 Å²	132	139.8 Å²	139.8	89%	0.892	73%	0.73	S	S	*	*			trans	-47.3	107.5	165.4	-70.2	0	0	0	0	109.3
12	L	35.5	Very low	40.8	Very low	147 Å²	147	134 Å²	134	77%	0.77	70%	0.703	S	S	*	*			trans	-89.6	102.9	160.6	-114.1	77.1	0	0	0	107.1	R10	R10-L12 PolarHBondContact O-N 3.43Å
13	N	41.4	Very low	41.9	Very low	108 Å²	108	133.7 Å²	133.7	58%	0.578	69%	0.692	S	S	*	*			trans	-7.8	122.6	165.3	-76.8	-27.8	0	0	0	116.2	R15 C16	N13-R15 HydrophobicContact CB-CB 4.21Å; N13-R15 PolarHBondContact O-N 3.06Å; N13-C16 WeakPolarHBondContact O-CB 3.2Å; N13-C16 PolarHBondContact O-N 2.99Å
14	S	45.6	Very low	43.3	Very low	115 Å²	115	132.1 Å²	132.1	80%	0.804	68%	0.684	S	S	*	*	H	α-helix	trans	-49.4	-23.2	160.2	174.1	0	0	0	0	112.8	G18	S14-G18 PolarHBondContact O-N 3.47Å
15	R	46	Very low	44.5	Very low	212 Å²	212	130.1 Å²	130.1	80%	0.8	67%	0.674	S	S	*	*	H	α-helix	trans	-67.6	-27.9	170.6	-68.5	-176.8	172.1	-172	-3	115	N13 T19	N13-R15 HydrophobicContact CB-CB 4.21Å; N13-R15 PolarHBondContact O-N 3.06Å; R15-T19 PolarHBondContact O-N 2.89Å; R15-T19 PolarHBondContact O-OG1 3.44Å
16	C	43.9	Very low	45.5	Very low	53 Å²	53	130.9 Å²	130.9	36%	0.358	67%	0.666	S	S	.	*	H	α-helix	trans	-73.9	-36.7	177.2	-90.3	0	0	0	0	111.9	N13 T19 L20	N13-C16 WeakPolarHBondContact O-CB 3.2Å; N13-C16 PolarHBondContact O-N 2.99Å; C16-T19 VanDerWaalsContact CA-OG1 3.25Å; C16-T19 WeakPolarHBondContact CA-OG1 3.23Å; C16-T19 PolarHBondContact O-N 3.23Å; C16-T19 PolarHBondContact O-OG1 3.23Å; C16-L20 WeakPolarHBondContact O-CB 3.4Å; C16-L20 WeakPolarHBondContact O-CD1 3.49Å; C16-L20 PolarHBondContact O-N 3.47Å
17	M	46.7	Very low	46.1	Very low	149 Å²	149	132.3 Å²	132.3	73%	0.734	66%	0.659	S	S	*	*	H	α-helix	trans	-73.3	-36.8	-179	-137.4	-178.2	73.6	0	0	111.6	C21	M17-C21 WeakPolarHBondContact O-CB 3.33Å; M17-C21 PolarHBondContact O-N 3.41Å
18	G	49.6	Very low	47	Very low	42 Å²	42	125 Å²	125	43%	0.433	64%	0.638	S	S	.	*	H	α-helix	trans	-66.2	-37.7	171.8	0	0	0	0	0	113.2	S14 L22	S14-G18 PolarHBondContact O-N 3.47Å; G18-L22 WeakPolarHBondContact O-CB 3.31Å; G18-L22 PolarHBondContact O-N 2.81Å
19	T	54.7	Low	47.8	Very low	76 Å²	76	125.7 Å²	125.7	47%	0.466	63%	0.634	S	S	.	*	H	α-helix	trans	-72.8	-36.6	176	33.9	0	0	0	0	112.6	R15 C16 L22 Q23	R15-T19 PolarHBondContact O-N 2.89Å; R15-T19 PolarHBondContact O-OG1 3.44Å; C16-T19 VanDerWaalsContact CA-OG1 3.25Å; C16-T19 WeakPolarHBondContact CA-OG1 3.23Å; C16-T19 PolarHBondContact O-N 3.23Å; C16-T19 PolarHBondContact O-OG1 3.23Å; T19-L22 PolarHBondContact O-N 2.79Å; T19-Q23 VanDerWaalsContact O-CB 3.31Å; T19-Q23 WeakPolarHBondContact O-CB 3.33Å; T19-Q23 VanDerWaalsContact O-CG 3.27Å; T19-Q23 WeakPolarHBondContact O-CG 3.29Å; T19-Q23 PolarHBondContact O-N 3.17Å
20	L	53.9	Low	48.2	Very low	110 Å²	110	119.1 Å²	119.1	58%	0.576	62%	0.622	S	S	*	*	H	α-helix	trans	-65.8	-42	172.9	-96.1	142.4	0	0	0	112	C16 Q23 L24	C16-L20 WeakPolarHBondContact O-CB 3.4Å; C16-L20 WeakPolarHBondContact O-CD1 3.49Å; C16-L20 PolarHBondContact O-N 3.47Å; L20-Q23 PolarHBondContact O-N 3.02Å; L20-L24 WeakPolarHBondContact O-CB 3.47Å; L20-L24 PolarHBondContact O-N 3.45Å
21	C	51.3	Low	48.7	Very low	77 Å²	77	111.9 Å²	111.9	52%	0.52	61%	0.612	S	S	.	*	H	α-helix	trans	-65.2	-39.8	172.8	-92.8	0	0	0	0	112.3	M17 Q23 L24 L25	M17-C21 WeakPolarHBondContact O-CB 3.33Å; M17-C21 PolarHBondContact O-N 3.41Å; C21-Q23 VanDerWaalsContact C-N 3.35Å; C21-L24 PolarHBondContact O-N 3.21Å; C21-L25 WeakPolarHBondContact O-CB 3.39Å; C21-L25 PolarHBondContact O-N 2.93Å
22	L	58.1	Low	48.5	Very low	115 Å²	115	111 Å²	111	60%	0.602	60%	0.602	S	S	*	*	H	α-helix	trans	-66.7	-37.3	176.4	-137.8	93.7	0	0	0	111.9	G18 T19 L26	G18-L22 WeakPolarHBondContact O-CB 3.31Å; G18-L22 PolarHBondContact O-N 2.81Å; T19-L22 PolarHBondContact O-N 2.79Å; L22-L26 HydrophobicContact CD2-CD1 4.48Å; L22-L26 WeakPolarHBondContact O-CB 3.36Å; L22-L26 WeakPolarHBondContact O-CD1 3.46Å; L22-L26 PolarHBondContact O-N 2.99Å
23	Q	57.3	Low	48.5	Very low	126 Å²	126	109.4 Å²	109.4	59%	0.589	59%	0.594	S	S	*	*	H	α-helix	trans	-70.4	-37.2	175.8	-78.8	-179.6	-23.9	0	0	111.9	T19 L20 C21 L26 W27	T19-Q23 VanDerWaalsContact O-CB 3.31Å; T19-Q23 WeakPolarHBondContact O-CB 3.33Å; T19-Q23 VanDerWaalsContact O-CG 3.27Å; T19-Q23 WeakPolarHBondContact O-CG 3.29Å; T19-Q23 PolarHBondContact O-N 3.17Å; L20-Q23 PolarHBondContact O-N 3.02Å; C21-Q23 VanDerWaalsContact C-N 3.35Å; Q23-L26 PolarHBondContact O-N 2.88Å; Q23-W27 VanDerWaalsContact O-CB 3.28Å; Q23-W27 WeakPolarHBondContact O-CB 3.41Å; Q23-W27 PolarHBondContact O-N 2.84Å
24	L	61	Low	48.2	Very low	110 Å²	110	107.7 Å²	107.7	58%	0.576	60%	0.602	S	S	*	*	H	α-helix	trans	-69.3	-40.1	174.2	-143.7	87.1	0	0	0	111.2	L20 C21 W27 I28	L20-L24 WeakPolarHBondContact O-CB 3.47Å; L20-L24 PolarHBondContact O-N 3.45Å; C21-L24 PolarHBondContact O-N 3.21Å; L24-W27 PolarHBondContact O-N 2.91Å; L24-I28 HydrophobicContact CD2-CD1 4.4Å; L24-I28 HydrophobicContact CG-CD1 4.45Å; L24-I28 WeakPolarHBondContact O-CB 3.37Å; L24-I28 WeakPolarHBondContact O-CD1 3.42Å; L24-I28 WeakPolarHBondContact O-CG1 3.12Å; L24-I28 PolarHBondContact O-N 3.39Å
25	L	54.8	Low	47.7	Very low	106 Å²	106	109.9 Å²	109.9	56%	0.555	60%	0.6	S	S	*	*	H	α-helix	trans	-67.2	-39.1	173.1	-110.1	123	0	0	0	111.9	C21 W27 I28 L29	C21-L25 WeakPolarHBondContact O-CB 3.39Å; C21-L25 PolarHBondContact O-N 2.93Å; L25-W27 VanDerWaalsContact C-N 3.33Å; L25-I28 PolarHBondContact O-N 2.72Å; L25-L29 HydrophobicContact CD2-CD1 4.33Å; L25-L29 WeakPolarHBondContact O-CB 3.17Å; L25-L29 WeakPolarHBondContact O-CD1 3.42Å; L25-L29 WeakPolarHBondContact O-CG 3.25Å; L25-L29 PolarHBondContact O-N 3.3Å
26	L	52.3	Low	47.5	Very low	99 Å²	99	108.6 Å²	108.6	52%	0.518	60%	0.603	S	S	.	*	H	α-helix	trans	-64.2	-39.7	171.6	-110.1	86.2	0	0	0	111	L22 Q23 L29 C30	L22-L26 HydrophobicContact CD2-CD1 4.48Å; L22-L26 WeakPolarHBondContact O-CB 3.36Å; L22-L26 WeakPolarHBondContact O-CD1 3.46Å; L22-L26 PolarHBondContact O-N 2.99Å; Q23-L26 PolarHBondContact O-N 2.88Å; L26-L29 PolarHBondContact O-N 2.69Å; L26-C30 VanDerWaalsContact O-CB 3.24Å; L26-C30 WeakPolarHBondContact O-CB 3.41Å; L26-C30 PolarHBondContact O-N 3.23Å; L26-C30 PolarHBondContact O-SG 2.76Å
27	W	47.8	Very low	47.8	Very low	201 Å²	201	113.8 Å²	113.8	76%	0.761	62%	0.622	S	S	*	*	H	α-helix	trans	-65.8	-40.1	175.5	-101.2	58.7	0	0	0	112.1	Q23 L24 L25 C30 A31	Q23-W27 VanDerWaalsContact O-CB 3.28Å; Q23-W27 WeakPolarHBondContact O-CB 3.41Å; Q23-W27 PolarHBondContact O-N 2.84Å; L24-W27 PolarHBondContact O-N 2.91Å; L25-W27 VanDerWaalsContact C-N 3.33Å; W27-C30 PolarHBondContact O-N 2.63Å; W27-A31 WeakPolarHBondContact O-CB 3.22Å; W27-A31 PolarHBondContact O-N 3.13Å
28	I	50.2	Low	48.6	Very low	96 Å²	96	111.9 Å²	111.9	49%	0.492	62%	0.62	S	S	.	*	H	α-helix	trans	-70.9	-38.7	175.8	-67	162.6	0	0	0	110.4	L24 L25 C30 A31 V32	L24-I28 HydrophobicContact CD2-CD1 4.4Å; L24-I28 HydrophobicContact CG-CD1 4.45Å; L24-I28 WeakPolarHBondContact O-CB 3.37Å; L24-I28 WeakPolarHBondContact O-CD1 3.42Å; L24-I28 WeakPolarHBondContact O-CG1 3.12Å; L24-I28 PolarHBondContact O-N 3.39Å; L25-I28 PolarHBondContact O-N 2.72Å; I28-C30 VanDerWaalsContact C-N 3.33Å; I28-A31 PolarHBondContact O-N 3.21Å; I28-V32 HydrophobicContact CG2-CG2 4.26Å; I28-V32 VanDerWaalsContact O-CB 3.32Å; I28-V32 WeakPolarHBondContact O-CB 3.48Å; I28-V32 WeakPolarHBondContact O-CG2 3.23Å; I28-V32 PolarHBondContact O-N 3.44Å
29	L	46.8	Very low	49.7	Very low	105 Å²	105	113.4 Å²	113.4	55%	0.55	62%	0.615	S	S	.	*	H	α-helix	trans	-66.8	-33.2	173.1	-76.6	160.5	0	0	0	112.1	L25 L26 N33	L25-L29 HydrophobicContact CD2-CD1 4.33Å; L25-L29 WeakPolarHBondContact O-CB 3.17Å; L25-L29 WeakPolarHBondContact O-CD1 3.42Å; L25-L29 WeakPolarHBondContact O-CG 3.25Å; L25-L29 PolarHBondContact O-N 3.3Å; L26-L29 PolarHBondContact O-N 2.69Å; L29-N33 PolarHBondContact O-N 3.02Å
30	C	41.8	Very low	51	Low	90 Å²	90	112.7 Å²	112.7	61%	0.608	61%	0.614	S	S	*	*	H	α-helix	trans	-77.4	-28.4	173	-66.9	0	0	0	0	112.6	L26 W27 I28	L26-C30 VanDerWaalsContact O-CB 3.24Å; L26-C30 WeakPolarHBondContact O-CB 3.41Å; L26-C30 PolarHBondContact O-N 3.23Å; L26-C30 PolarHBondContact O-SG 2.76Å; W27-C30 PolarHBondContact O-N 2.63Å; I28-C30 VanDerWaalsContact C-N 3.33Å
31	A	42.3	Very low	52.2	Low	81 Å²	81	108.1 Å²	108.1	67%	0.669	59%	0.59	S	S	*	*	H	α-helix	trans	-83.4	-22.6	177.2	0	0	0	0	0	113.2	W27 I28	W27-A31 WeakPolarHBondContact O-CB 3.22Å; W27-A31 PolarHBondContact O-N 3.13Å; I28-A31 PolarHBondContact O-N 3.21Å
32	V	38.4	Very low	53.6	Low	112 Å²	112	107.9 Å²	107.9	68%	0.679	58%	0.581	S	S	*	*	H	α-helix	trans	-87.8	-19	175.5	172.2	0	0	0	0	112	I28 G34	I28-V32 HydrophobicContact CG2-CG2 4.26Å; I28-V32 VanDerWaalsContact O-CB 3.32Å; I28-V32 WeakPolarHBondContact O-CB 3.48Å; I28-V32 WeakPolarHBondContact O-CG2 3.23Å; I28-V32 PolarHBondContact O-N 3.44Å; V32-G34 PolarHBondContact O-N 2.81Å
33	N	34	Very low	54.6	Low	115 Å²	115	104.9 Å²	104.9	62%	0.615	57%	0.573	S	S	*	*			trans	-87.9	90.8	162.9	-82.7	0.6	0	0	0	108.7	L29 E35	L29-N33 PolarHBondContact O-N 3.02Å; N33-E35 PolarHBondContact O-N 3.21Å
34	G	35.1	Very low	55.9	Low	72 Å²	72	99.7 Å²	99.7	74%	0.742	55%	0.548	S	S	*	.			trans	-58.2	94.7	151.8	0	0	0	0	0	107.1	V32 E36	V32-G34 PolarHBondContact O-N 2.81Å; G34-E36 VanDerWaalsContact C-N 3.35Å; G34-E36 PolarHBondContact O-N 3.21Å
35	E	36.3	Very low	57.1	Low	160 Å²	160	94.5 Å²	94.5	75%	0.748	52%	0.521	S	S	*	.			trans	-60.8	102.7	168.7	-80.9	-171.1	153.7	0	0	106.4	N33 Q37	N33-E35 PolarHBondContact O-N 3.21Å; E35-Q37 PolarHBondContact O-N 3.04Å
36	E	42	Very low	58.4	Low	186 Å²	186	92.7 Å²	92.7	87%	0.869	51%	0.51	S	S	*	.			trans	-50.8	111	159.7	-77.4	-169.6	173	0	0	106.5	G34 P38	G34-E36 VanDerWaalsContact C-N 3.35Å; G34-E36 PolarHBondContact O-N 3.21Å; E36-P38 WeakPolarHBondContact O-CD 3.4Å; E36-P38 VanDerWaalsContact O-N 3.09Å
37	Q	49	Very low	59.7	Low	162 Å²	162	92.5 Å²	92.5	76%	0.757	50%	0.502	S	S	*	.			trans	-55.5	120.4	174.2	-77.6	-70.1	-26.3	0	0	107.4	E35 F39	E35-Q37 PolarHBondContact O-N 3.04Å; Q37-F39 PolarHBondContact O-N 3.37Å; Q37-F39 VanDerWaalsContact O-N 3.13Å
38	P	62.9	Low	61.5	Low	108 Å²	108	83 Å²	83	70%	0.701	47%	0.466	S	S	*	.			trans	-60.3	124.7	-177.8	22.1	-30.9	0	0	0	108.6	E36 S40	E36-P38 WeakPolarHBondContact O-CD 3.4Å; E36-P38 VanDerWaalsContact O-N 3.09Å; P38-S40 PolarHBondContact O-N 2.77Å
39	F	73.5	Confident	62.8	Low	74 Å²	74	79.2 Å²	79.2	33%	0.325	45%	0.45	S	S	.	.			trans	-49.7	113.6	-179.5	174.6	-92.9	0	0	0	110.7	Q37 V41 W44 I96 M99 K100	Q37-F39 PolarHBondContact O-N 3.37Å; Q37-F39 VanDerWaalsContact O-N 3.13Å; F39-V41 HydrophobicContact CD1-CG2 4.34Å; F39-V41 HydrophobicContact CE1-CG2 3.88Å; F39-W44 HydrophobicContact CE2-CB 4.35Å; F39-W44 AromaticContact CE2-CD1 3.62Å; F39-W44 HydrophobicContact CE2-CG 4.23Å; F39-W44 HydrophobicContact CZ-CB 3.87Å; F39-W44 AromaticContact CZ-CD1 3.58Å; F39-W44 AromaticContact CZ-CG 3.8Å; F39-W44 HydrophobicContact CZ-CG 3.8Å; F39-I96 HydrophobicContact CD1-CD1 3.76Å; F39-I96 HydrophobicContact CD1-CG2 4.45Å; F39-I96 HydrophobicContact CE1-CD1 3.49Å; F39-I96 VanDerWaalsContact CE1-CD1 3.49Å; F39-M99 HydrophobicContact CE1-CB 4.1Å; F39-M99 HydrophobicContact CE1-SD 3.98Å; F39-M99 HydrophobicContact CE2-CB 4.26Å; F39-M99 HydrophobicContact CZ-CB 3.49Å; F39-M99 VanDerWaalsContact CZ-CB 3.49Å; F39-M99 HydrophobicContact CZ-CG 4.27Å; F39-M99 HydrophobicContact CZ-SD 3.98Å; F39-K100 HydrophobicContact CD2-CG 4.09Å; F39-K100 HydrophobicContact CE2-CG 4.28Å; F39-K100 HydrophobicContact CG-CG 4.43Å
40	S	81.6	Confident	64.5	Low	62 Å²	62	75 Å²	75	43%	0.434	43%	0.427	S	S	.	.			trans	-96.6	107.9	-178.9	177.7	0	0	0	0	110.8	P38 E42 A43 W44	P38-S40 PolarHBondContact O-N 2.77Å; S40-E42 PolarHBondContact O-N 3.34Å; S40-A43 PolarHBondContact O-N 3.3Å; S40-A43 PolarHBondContact OG-N 3.41Å; S40-W44 PolarHBondContact O-N 3.04Å
41	V	80.4	Confident	66.3	Low	14 Å²	14	71 Å²	71	9%	0.085	40%	0.4	C	S	.	.	H	α-helix	trans	-56.4	-39.1	174.3	178.7	0	0	0	0	111.4	F39 W44 L45 I71 I91 I96 M99	F39-V41 HydrophobicContact CD1-CG2 4.34Å; F39-V41 HydrophobicContact CE1-CG2 3.88Å; V41-W44 PolarHBondContact O-N 2.82Å; V41-L45 HydrophobicContact CG1-CD1 3.79Å; V41-L45 HydrophobicContact CG1-CG 4.21Å; V41-L45 WeakPolarHBondContact O-CB 3.42Å; V41-L45 VanDerWaalsContact O-CG 3.26Å; V41-L45 WeakPolarHBondContact O-CG 3.3Å; V41-L45 PolarHBondContact O-N 3.48Å; V41-I71 HydrophobicContact CG1-CD1 4.03Å; V41-I71 HydrophobicContact CG1-CG1 4.44Å; V41-I91 HydrophobicContact CG2-CD1 3.38Å; V41-I96 HydrophobicContact CG2-CD1 3.59Å; V41-M99 HydrophobicContact CG1-CE 4.11Å; V41-M99 HydrophobicContact CG1-SD 4.15Å; V41-M99 HydrophobicContact CG2-SD 4.44Å
42	E	79.6	Confident	67.6	Low	71 Å²	71	70.3 Å²	70.3	33%	0.332	39%	0.389	S	S	.	.	H	α-helix	trans	-64.6	-47.1	-179.7	-179.5	171.6	-169.2	0	0	111.3	S40 W44 L45 Q46 L51 R62 M67	S40-E42 PolarHBondContact O-N 3.34Å; E42-W44 VanDerWaalsContact C-N 3.29Å; E42-W44 PolarHBondContact O-N 2.81Å; E42-L45 PolarHBondContact O-N 3.36Å; E42-Q46 VanDerWaalsContact O-CG 3.31Å; E42-Q46 WeakPolarHBondContact O-CG 3.44Å; E42-Q46 PolarHBondContact O-N 2.86Å; E42-Q46 PolarHBondContact OE1-NE2 3.33Å; E42-L51 HydrophobicContact CG-CD2 3.83Å; E42-R62 WeakPolarHBondContact OE1-CD 3.35Å; E42-R62 IonicContact OE1-CZ 3.68Å; E42-R62 VanDerWaalsContact OE1-CZ 3.25Å; E42-R62 IonicContact OE1-NE 3Å; E42-R62 PolarHBondContact OE1-NE 3.13Å; E42-R62 IonicContact OE1-NH1 3.91Å; E42-R62 PolarHBondContact OE1-NH1 3.4Å; E42-M67 HydrophobicContact CB-CE 4.05Å; E42-M67 HydrophobicContact CG-CE 4.36Å; E42-M67 HydrophobicContact CG-SD 4.44Å
43	A	79.5	Confident	68.7	Low	52 Å²	52	70.4 Å²	70.4	43%	0.43	39%	0.392	S	S	.	.	H	α-helix	trans	-61.8	-40.7	177	0	0	0	0	0	111.2	S40 Q46 R47	S40-A43 PolarHBondContact O-N 3.3Å; S40-A43 PolarHBondContact OG-N 3.41Å; A43-Q46 PolarHBondContact O-N 3.48Å; A43-R47 WeakPolarHBondContact O-CB 3.46Å; A43-R47 PolarHBondContact O-N 3.49Å
44	W	85.3	Confident	69.9	Low	18 Å²	18	67.2 Å²	67.2	7%	0.068	38%	0.381	C	S	.	.	H	α-helix	trans	-60.2	-49.7	176	-168.8	100.9	0	0	0	111.7	F39 S40 V41 E42 Q46 R47 Y48 Y50 M74 Y78 M99	F39-W44 HydrophobicContact CE2-CB 4.35Å; F39-W44 AromaticContact CE2-CD1 3.62Å; F39-W44 HydrophobicContact CE2-CG 4.23Å; F39-W44 HydrophobicContact CZ-CB 3.87Å; F39-W44 AromaticContact CZ-CD1 3.58Å; F39-W44 AromaticContact CZ-CG 3.8Å; F39-W44 HydrophobicContact CZ-CG 3.8Å; S40-W44 PolarHBondContact O-N 3.04Å; V41-W44 PolarHBondContact O-N 2.82Å; E42-W44 VanDerWaalsContact C-N 3.29Å; E42-W44 PolarHBondContact O-N 2.81Å; W44-Q46 VanDerWaalsContact C-N 3.28Å; W44-Q46 PolarHBondContact O-N 3.21Å; W44-R47 PolarHBondContact O-N 3.04Å; W44-Y48 AromaticContact CD1-CE2 3.64Å; W44-Y48 AromaticContact CD2-CD2 3.5Å; W44-Y48 HydrophobicContact CD2-CD2 3.5Å; W44-Y48 VanDerWaalsContact CD2-CD2 3.5Å; W44-Y48 AromaticContact CD2-CE2 3.79Å; W44-Y48 HydrophobicContact CD2-CE2 3.79Å; W44-Y48 AromaticContact CE2-CD2 3.38Å; W44-Y48 AromaticContact CE2-CE2 3.38Å; W44-Y48 AromaticContact CE3-CD2 3.82Å; W44-Y48 HydrophobicContact CE3-CD2 3.82Å; W44-Y48 AromaticContact CG-CD2 4Å; W44-Y48 HydrophobicContact CG-CD2 4Å; W44-Y48 AromaticContact CG-CE2 3.94Å; W44-Y48 HydrophobicContact CG-CE2 3.94Å; W44-Y48 AromaticContact CH2-CD2 3.8Å; W44-Y48 HydrophobicContact CH2-CD2 3.8Å; W44-Y48 HydrophobicContact CH2-CE2 4.48Å; W44-Y48 HydrophobicContact CH2-CG 4.34Å; W44-Y48 AromaticContact CZ2-CD2 3.57Å; W44-Y48 HydrophobicContact CZ2-CD2 3.57Å; W44-Y48 AromaticContact CZ2-CE2 3.8Å; W44-Y48 HydrophobicContact CZ2-CE2 3.8Å; W44-Y48 HydrophobicContact CZ2-CG 4.4Å; W44-Y48 AromaticContact CZ3-CD2 3.93Å; W44-Y48 HydrophobicContact CZ3-CD2 3.93Å; W44-Y48 AromaticContact NE1-CD2 3.87Å; W44-Y48 AromaticContact NE1-CE2 3.36Å; W44-Y48 WeakPolarHBondContact O-CD2 3.4Å; W44-Y48 PolarHBondContact O-N 3.3Å; W44-Y48 VanDerWaalsContact O-N 3.14Å; W44-Y50 HydrophobicContact CH2-CE2 4.12Å; W44-Y50 AromaticContact CZ3-CD2 3.87Å; W44-Y50 HydrophobicContact CZ3-CD2 3.87Å; W44-Y50 AromaticContact CZ3-CE2 3.81Å; W44-Y50 HydrophobicContact CZ3-CE2 3.81Å; W44-M74 HydrophobicContact CH2-CE 3.65Å; W44-M74 HydrophobicContact CH2-CG 3.77Å; W44-M74 HydrophobicContact CZ2-CE 4.12Å; W44-M74 HydrophobicContact CZ3-CB 4.48Å; W44-M74 HydrophobicContact CZ3-CE 4.03Å; W44-M74 HydrophobicContact CZ3-CG 3.47Å; W44-M74 VanDerWaalsContact CZ3-CG 3.47Å; W44-Y78 AromaticContact CH2-CE2 3.89Å; W44-Y78 HydrophobicContact CH2-CE2 3.89Å; W44-M99 HydrophobicContact CD2-CB 4.2Å; W44-M99 HydrophobicContact CD2-CG 3.89Å; W44-M99 HydrophobicContact CD2-SD 4.23Å; W44-M99 HydrophobicContact CE3-CE 4.01Å; W44-M99 HydrophobicContact CE3-CG 4.16Å; W44-M99 HydrophobicContact CE3-SD 4.27Å; W44-M99 HydrophobicContact CG-CB 4.38Å; W44-M99 HydrophobicContact CG-CG 4.43Å; W44-M99 HydrophobicContact CH2-CG 4.44Å; W44-M99 HydrophobicContact CZ2-CB 4.35Å; W44-M99 HydrophobicContact CZ2-CG 4.09Å; W44-M99 HydrophobicContact CZ3-CE 4.29Å; W44-M99 HydrophobicContact CZ3-CG 4.46Å; W44-M99 PolarHBondContact NE1-O 3.31Å
45	L	85.5	Confident	70.8	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-64.2	-33.9	180	-69.8	167.8	0	0	0	112.3	V41 E42 G49 Y50 L51 M67 A70 I71 M74 M99	V41-L45 HydrophobicContact CG1-CD1 3.79Å; V41-L45 HydrophobicContact CG1-CG 4.21Å; V41-L45 WeakPolarHBondContact O-CB 3.42Å; V41-L45 VanDerWaalsContact O-CG 3.26Å; V41-L45 WeakPolarHBondContact O-CG 3.3Å; V41-L45 PolarHBondContact O-N 3.48Å; E42-L45 PolarHBondContact O-N 3.36Å; L45-G49 PolarHBondContact O-N 3.05Å; L45-Y50 HydrophobicContact CD2-CD2 4.2Å; L45-Y50 HydrophobicContact CD2-CG 4.18Å; L45-Y50 PolarHBondContact O-N 3.3Å; L45-L51 HydrophobicContact CB-CB 3.82Å; L45-L51 HydrophobicContact CB-CD2 4.17Å; L45-L51 PolarHBondContact O-N 2.97Å; L45-L51 VanDerWaalsContact O-N 3.11Å; L45-M67 HydrophobicContact CD1-CE 3.89Å; L45-A70 HydrophobicContact CD1-CB 4.08Å; L45-A70 HydrophobicContact CD2-CB 4.41Å; L45-I71 HydrophobicContact CD1-CD1 4.44Å; L45-I71 HydrophobicContact CD1-CG1 3.66Å; L45-I71 HydrophobicContact CD2-CG1 4.39Å; L45-M74 HydrophobicContact CD2-CB 4.05Å; L45-M74 HydrophobicContact CD2-CG 4.32Å; L45-M99 HydrophobicContact CD2-CE 4.21Å
46	Q	81.2	Confident	71.3	Confident	68 Å²	68	65.9 Å²	65.9	32%	0.318	37%	0.369	S	S	.	.	H	α-helix	trans	-67.2	-48.5	174.1	-70.1	177.7	15.7	0	0	111.5	E42 A43 W44 Y48 G49 L51	E42-Q46 VanDerWaalsContact O-CG 3.31Å; E42-Q46 WeakPolarHBondContact O-CG 3.44Å; E42-Q46 PolarHBondContact O-N 2.86Å; E42-Q46 PolarHBondContact OE1-NE2 3.33Å; A43-Q46 PolarHBondContact O-N 3.48Å; W44-Q46 VanDerWaalsContact C-N 3.28Å; W44-Q46 PolarHBondContact O-N 3.21Å; Q46-Y48 VanDerWaalsContact C-N 3.29Å; Q46-Y48 PolarHBondContact O-N 3.09Å; Q46-G49 PolarHBondContact O-N 3.21Å; Q46-L51 WeakPolarHBondContact CA-O 3.46Å; Q46-L51 HydrophobicContact CG-CB 4.1Å; Q46-L51 HydrophobicContact CG-CD2 3.98Å; Q46-L51 HydrophobicContact CG-CG 4.17Å
47	R	80.9	Confident	71.5	Confident	95 Å²	95	68.3 Å²	68.3	36%	0.358	37%	0.37	S	S	.	.	H	α-helix	trans	-56.3	-43.6	-178.4	-175.2	179.3	-74.2	176.1	-4.5	111.8	A43 W44 D203	A43-R47 WeakPolarHBondContact O-CB 3.46Å; A43-R47 PolarHBondContact O-N 3.49Å; W44-R47 PolarHBondContact O-N 3.04Å; R47-D203 IonicContact CZ-OD2 3.85Å; R47-D203 IonicContact NH1-OD2 2.95Å; R47-D203 PolarHBondContact NH1-OD2 3.07Å
48	Y	84.6	Confident	71.3	Confident	2 Å²	2	67.2 Å²	67.2	1%	0.008	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	8.3	-176.4	-59.7	-65.7	0	0	0	115	W44 Q46 R103 C104 D108	W44-Y48 AromaticContact CD1-CE2 3.64Å; W44-Y48 AromaticContact CD2-CD2 3.5Å; W44-Y48 HydrophobicContact CD2-CD2 3.5Å; W44-Y48 VanDerWaalsContact CD2-CD2 3.5Å; W44-Y48 AromaticContact CD2-CE2 3.79Å; W44-Y48 HydrophobicContact CD2-CE2 3.79Å; W44-Y48 AromaticContact CE2-CD2 3.38Å; W44-Y48 AromaticContact CE2-CE2 3.38Å; W44-Y48 AromaticContact CE3-CD2 3.82Å; W44-Y48 HydrophobicContact CE3-CD2 3.82Å; W44-Y48 AromaticContact CG-CD2 4Å; W44-Y48 HydrophobicContact CG-CD2 4Å; W44-Y48 AromaticContact CG-CE2 3.94Å; W44-Y48 HydrophobicContact CG-CE2 3.94Å; W44-Y48 AromaticContact CH2-CD2 3.8Å; W44-Y48 HydrophobicContact CH2-CD2 3.8Å; W44-Y48 HydrophobicContact CH2-CE2 4.48Å; W44-Y48 HydrophobicContact CH2-CG 4.34Å; W44-Y48 AromaticContact CZ2-CD2 3.57Å; W44-Y48 HydrophobicContact CZ2-CD2 3.57Å; W44-Y48 AromaticContact CZ2-CE2 3.8Å; W44-Y48 HydrophobicContact CZ2-CE2 3.8Å; W44-Y48 HydrophobicContact CZ2-CG 4.4Å; W44-Y48 AromaticContact CZ3-CD2 3.93Å; W44-Y48 HydrophobicContact CZ3-CD2 3.93Å; W44-Y48 AromaticContact NE1-CD2 3.87Å; W44-Y48 AromaticContact NE1-CE2 3.36Å; W44-Y48 WeakPolarHBondContact O-CD2 3.4Å; W44-Y48 PolarHBondContact O-N 3.3Å; W44-Y48 VanDerWaalsContact O-N 3.14Å; Q46-Y48 VanDerWaalsContact C-N 3.29Å; Q46-Y48 PolarHBondContact O-N 3.09Å; Y48-R103 HydrophobicContact CE1-CG 4.49Å; Y48-R103 VanDerWaalsContact CZ-CD 3.45Å; Y48-R103 WeakPolarHBondContact OH-CD 3.16Å; Y48-C104 WeakPolarHBondContact CE1-O 3.49Å; Y48-D108 PolarHBondContact O-N 3.3Å
49	G	79.1	Confident	70.5	Confident	16 Å²	16	66.4 Å²	66.4	17%	0.165	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	5.7	169.3	0	0	0	0	0	116.1	L45 Q46 L51	L45-G49 PolarHBondContact O-N 3.05Å; Q46-G49 PolarHBondContact O-N 3.21Å; G49-L51 VanDerWaalsContact C-N 3.32Å
50	Y	81.4	Confident	69.2	Low	17 Å²	17	68.6 Å²	68.6	7%	0.067	38%	0.382	C	S	.	.	S	Bend	trans	-77.6	-19.6	177.2	-63.4	-75.6	0	0	0	113.4	W44 L45 A70 A73 M74 R77 Y78 D108	W44-Y50 HydrophobicContact CH2-CE2 4.12Å; W44-Y50 AromaticContact CZ3-CD2 3.87Å; W44-Y50 HydrophobicContact CZ3-CD2 3.87Å; W44-Y50 AromaticContact CZ3-CE2 3.81Å; W44-Y50 HydrophobicContact CZ3-CE2 3.81Å; L45-Y50 HydrophobicContact CD2-CD2 4.2Å; L45-Y50 HydrophobicContact CD2-CG 4.18Å; L45-Y50 PolarHBondContact O-N 3.3Å; Y50-A70 WeakPolarHBondContact O-CB 3.14Å; Y50-A73 HydrophobicContact CD1-CB 3.96Å; Y50-A73 HydrophobicContact CE1-CB 4.45Å; Y50-M74 HydrophobicContact CD1-CB 4Å; Y50-M74 HydrophobicContact CD2-CB 4.16Å; Y50-M74 HydrophobicContact CD2-CG 4.4Å; Y50-M74 VanDerWaalsContact CE1-CA 3.42Å; Y50-M74 HydrophobicContact CE1-CB 3.94Å; Y50-M74 HydrophobicContact CE2-CB 4.11Å; Y50-M74 HydrophobicContact CE2-CG 4.1Å; Y50-M74 HydrophobicContact CG-CB 4.1Å; Y50-R77 VanDerWaalsContact OH-CD 3.22Å; Y50-R77 WeakPolarHBondContact OH-CD 3.42Å; Y50-Y78 PolarHBondContact OH-OH 3.49Å; Y50-D108 HydrophobicContact CE2-CB 4.36Å; Y50-D108 PolarHBondContact OH-OD2 3.21Å; Y50-D108 VanDerWaalsContact OH-OD2 3.09Å
51	L	79.8	Confident	67.7	Low	5 Å²	5	73.3 Å²	73.3	3%	0.026	40%	0.402	C	S	.	.	S	Bend	trans	-135	124.9	-175.1	-168.6	66.8	0	0	0	109.5	E42 L45 Q46 G49 R62 V66 M67 A70	E42-L51 HydrophobicContact CG-CD2 3.83Å; L45-L51 HydrophobicContact CB-CB 3.82Å; L45-L51 HydrophobicContact CB-CD2 4.17Å; L45-L51 PolarHBondContact O-N 2.97Å; L45-L51 VanDerWaalsContact O-N 3.11Å; Q46-L51 WeakPolarHBondContact CA-O 3.46Å; Q46-L51 HydrophobicContact CG-CB 4.1Å; Q46-L51 HydrophobicContact CG-CD2 3.98Å; Q46-L51 HydrophobicContact CG-CG 4.17Å; G49-L51 VanDerWaalsContact C-N 3.32Å; L51-R62 VanDerWaalsContact CG-NH1 3.28Å; L51-V66 HydrophobicContact CD1-CG1 3.58Å; L51-M67 HydrophobicContact CD1-SD 4.04Å; L51-M67 HydrophobicContact CD2-CE 4.24Å; L51-M67 HydrophobicContact CD2-SD 3.42Å; L51-M67 WeakPolarHBondContact CD2-SD 3.31Å; L51-M67 HydrophobicContact CG-SD 4.43Å; L51-A70 HydrophobicContact CB-CB 4.31Å; L51-A70 HydrophobicContact CD1-CB 4.05Å
52	P	68.9	Low	66.7	Low	68 Å²	68	75.8 Å²	75.8	44%	0.442	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-64	153.7	179.1	25.5	-33.1	0	0	0	111.1	R62	P52-R62 PolarHBondContact O-NH2 2.85Å
53	P	63.1	Low	65.8	Low	114 Å²	114	75 Å²	75	74%	0.74	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-61.7	145.5	174.4	24.3	-31.7	0	0	0	111
54	A	58.1	Low	65.2	Low	48 Å²	48	76.4 Å²	76.4	40%	0.397	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-73.8	129.4	-178.2	0	0	0	0	0	110.4	P56 R62	A54-P56 WeakPolarHBondContact O-CD 3.48Å; A54-R62 VanDerWaalsContact CB-NH2 3.32Å
55	D	53.5	Low	64.4	Low	85 Å²	85	85 Å²	85	46%	0.455	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-64.7	125.4	166.3	-171.8	-32.3	0	0	0	108.2	R57 M58	D55-R57 PolarHBondContact O-N 3.25Å; D55-R57 WeakPolarHBondContact OD1-CB 3.4Å; D55-R57 PolarHBondContact OD1-N 3.4Å; D55-M58 HydrophobicContact CB-CB 4.34Å; D55-M58 PolarHBondContact O-N 3.05Å
56	P	48.3	Very low	63.8	Low	118 Å²	118	87.7 Å²	87.7	77%	0.766	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-22.6	177.6	-25.7	33.2	0	0	0	114	A54	A54-P56 WeakPolarHBondContact O-CD 3.48Å
57	R	45.8	Very low	63.6	Low	237 Å²	237	85.3 Å²	85.3	89%	0.894	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-6.7	178.5	-65.7	-178.5	169.4	167.3	-1.7	114.3	D55	D55-R57 PolarHBondContact O-N 3.25Å; D55-R57 WeakPolarHBondContact OD1-CB 3.4Å; D55-R57 PolarHBondContact OD1-N 3.4Å
58	M	43.6	Very low	63.6	Low	140 Å²	140	84.5 Å²	84.5	69%	0.69	46%	0.462	S	S	*	.			trans	-131.1	21.8	-172.5	-132.8	-168.4	-54.1	0	0	113.1	D55 V60	D55-M58 HydrophobicContact CB-CB 4.34Å; D55-M58 PolarHBondContact O-N 3.05Å; M58-V60 PolarHBondContact O-N 2.99Å
59	S	46.3	Very low	63.4	Low	91 Å²	91	88.1 Å²	88.1	64%	0.636	48%	0.484	S	S	*	.			trans	-67.9	0.2	-172.9	72.7	0	0	0	0	115.5
60	V	46.6	Very low	63.6	Low	119 Å²	119	87.6 Å²	87.6	72%	0.721	48%	0.478	S	S	*	.	S	Bend	trans	-114.4	108.3	-178.1	-170.5	0	0	0	0	108.4	M58	M58-V60 PolarHBondContact O-N 2.99Å
61	L	49.9	Very low	63.7	Low	161 Å²	161	86.9 Å²	86.9	84%	0.843	48%	0.476	S	S	*	.			trans	82.2	72.2	-177.8	-67	139.3	0	0	0	116.7	S63	L61-S63 PolarHBondContact O-N 3.47Å
62	R	59.3	Low	63.8	Low	67 Å²	67	87 Å²	87	25%	0.253	48%	0.477	S	S	.	.			trans	-64.8	122.3	149.6	-75.1	176.6	168.7	-145	-13.3	108.6	E42 L51 P52 A54 A64	E42-R62 WeakPolarHBondContact OE1-CD 3.35Å; E42-R62 IonicContact OE1-CZ 3.68Å; E42-R62 VanDerWaalsContact OE1-CZ 3.25Å; E42-R62 IonicContact OE1-NE 3Å; E42-R62 PolarHBondContact OE1-NE 3.13Å; E42-R62 IonicContact OE1-NH1 3.91Å; E42-R62 PolarHBondContact OE1-NH1 3.4Å; L51-R62 VanDerWaalsContact CG-NH1 3.28Å; P52-R62 PolarHBondContact O-NH2 2.85Å; A54-R62 VanDerWaalsContact CB-NH2 3.32Å; R62-A64 PolarHBondContact O-N 2.69Å
63	S	61.4	Low	64.4	Low	53 Å²	53	84.9 Å²	84.9	37%	0.371	47%	0.466	S	S	.	.			trans	-63.1	138.9	-178.3	73	0	0	0	0	110.6	L61 R65 V66 M67	L61-S63 PolarHBondContact O-N 3.47Å; S63-R65 PolarHBondContact O-N 3.39Å; S63-V66 PolarHBondContact O-N 3.3Å; S63-V66 VanDerWaalsContact OG-CG2 3.3Å; S63-V66 WeakPolarHBondContact OG-CG2 3.41Å; S63-V66 PolarHBondContact OG-N 3.02Å; S63-M67 PolarHBondContact O-N 3.19Å
64	A	65.9	Low	65.4	Low	83 Å²	83	79.5 Å²	79.5	69%	0.686	43%	0.431	S	S	*	.	H	α-helix	trans	-50.5	-30.6	173.1	0	0	0	0	0	112.1	R62 M67 H68	R62-A64 PolarHBondContact O-N 2.69Å; A64-M67 PolarHBondContact O-N 2.98Å; A64-H68 WeakPolarHBondContact O-CB 3.32Å; A64-H68 PolarHBondContact O-N 2.82Å
65	R	68.4	Low	66.6	Low	197 Å²	197	77.3 Å²	77.3	74%	0.743	41%	0.412	S	S	*	.	H	α-helix	trans	-63.2	-39.2	175.5	-167.9	176	73.8	155.2	3.2	113.8	S63 T69	S63-R65 PolarHBondContact O-N 3.39Å; R65-T69 WeakPolarHBondContact O-CB 3.38Å; R65-T69 WeakPolarHBondContact O-CG2 3.28Å; R65-T69 PolarHBondContact O-N 3.39Å; R65-T69 PolarHBondContact O-OG1 2.94Å
66	V	74.5	Confident	67.9	Low	57 Å²	57	80.9 Å²	80.9	35%	0.345	42%	0.419	S	S	.	.	H	α-helix	trans	-70.8	-43.2	178.9	171	0	0	0	0	110.3	L51 S63 T69 A70	L51-V66 HydrophobicContact CD1-CG1 3.58Å; S63-V66 PolarHBondContact O-N 3.3Å; S63-V66 VanDerWaalsContact OG-CG2 3.3Å; S63-V66 WeakPolarHBondContact OG-CG2 3.41Å; S63-V66 PolarHBondContact OG-N 3.02Å; V66-T69 WeakPolarHBondContact CA-OG1 3.46Å; V66-T69 PolarHBondContact O-N 3.32Å; V66-T69 PolarHBondContact O-OG1 3.29Å; V66-A70 WeakPolarHBondContact O-CB 3.33Å; V66-A70 PolarHBondContact O-N 3.47Å
67	M	77.1	Confident	69.3	Low	18 Å²	18	78.3 Å²	78.3	9%	0.089	39%	0.394	C	S	.	.	H	α-helix	trans	-64.5	-42.5	175.4	-69.2	-62.5	-63.7	0	0	111.7	E42 L45 L51 S63 A64 T69 A70 I71 L86	E42-M67 HydrophobicContact CB-CE 4.05Å; E42-M67 HydrophobicContact CG-CE 4.36Å; E42-M67 HydrophobicContact CG-SD 4.44Å; L45-M67 HydrophobicContact CD1-CE 3.89Å; L51-M67 HydrophobicContact CD1-SD 4.04Å; L51-M67 HydrophobicContact CD2-CE 4.24Å; L51-M67 HydrophobicContact CD2-SD 3.42Å; L51-M67 WeakPolarHBondContact CD2-SD 3.31Å; L51-M67 HydrophobicContact CG-SD 4.43Å; S63-M67 PolarHBondContact O-N 3.19Å; A64-M67 PolarHBondContact O-N 2.98Å; M67-T69 VanDerWaalsContact C-N 3.34Å; M67-T69 PolarHBondContact O-N 3.34Å; M67-A70 PolarHBondContact O-N 2.94Å; M67-I71 WeakPolarHBondContact O-CG1 3.27Å; M67-I71 PolarHBondContact O-N 3.03Å; M67-L86 HydrophobicContact CB-CD1 3.4Å; M67-L86 HydrophobicContact CB-CD2 4.24Å; M67-L86 HydrophobicContact CB-CG 4.46Å; M67-L86 HydrophobicContact CE-CD2 3.67Å
68	H	79.4	Confident	70.8	Confident	78 Å²	78	68.6 Å²	68.6	36%	0.361	36%	0.358	S	S	.	.	H	α-helix	trans	-60.6	-42.7	176.4	175.8	-68.8	0	0	0	112.4	A64 A72 T83 G84	A64-H68 WeakPolarHBondContact O-CB 3.32Å; A64-H68 PolarHBondContact O-N 2.82Å; H68-A72 WeakPolarHBondContact O-CB 3.5Å; H68-A72 PolarHBondContact O-N 3.34Å; H68-T83 PolarHBondContact NE2-O 2.96Å; H68-G84 WeakPolarHBondContact CA-O 3.15Å; H68-G84 VanDerWaalsContact CB-O 3.3Å; H68-G84 WeakPolarHBondContact CB-O 3.38Å; H68-G84 PolarHBondContact CD2-O 3.1Å
69	T	81.8	Confident	72.3	Confident	79 Å²	79	65.1 Å²	65.1	49%	0.485	36%	0.358	S	S	.	.	H	α-helix	trans	-68.2	-38.1	177.7	41	0	0	0	0	112.5	R65 V66 M67 A72 A73	R65-T69 WeakPolarHBondContact O-CB 3.38Å; R65-T69 WeakPolarHBondContact O-CG2 3.28Å; R65-T69 PolarHBondContact O-N 3.39Å; R65-T69 PolarHBondContact O-OG1 2.94Å; V66-T69 WeakPolarHBondContact CA-OG1 3.46Å; V66-T69 PolarHBondContact O-N 3.32Å; V66-T69 PolarHBondContact O-OG1 3.29Å; M67-T69 VanDerWaalsContact C-N 3.34Å; M67-T69 PolarHBondContact O-N 3.34Å; T69-A72 PolarHBondContact O-N 3.17Å; T69-A73 WeakPolarHBondContact O-CB 3.48Å; T69-A73 PolarHBondContact O-N 2.9Å
70	A	82.1	Confident	73.9	Confident	4 Å²	4	61.6 Å²	61.6	3%	0.033	33%	0.332	C	S	.	.	H	α-helix	trans	-63.5	-46.8	175	0	0	0	0	0	112.2	L45 Y50 L51 V66 M67 A73 M74	L45-A70 HydrophobicContact CD1-CB 4.08Å; L45-A70 HydrophobicContact CD2-CB 4.41Å; Y50-A70 WeakPolarHBondContact O-CB 3.14Å; L51-A70 HydrophobicContact CB-CB 4.31Å; L51-A70 HydrophobicContact CD1-CB 4.05Å; V66-A70 WeakPolarHBondContact O-CB 3.33Å; V66-A70 PolarHBondContact O-N 3.47Å; M67-A70 PolarHBondContact O-N 2.94Å; A70-A73 WeakPolarHBondContact O-CB 3.46Å; A70-A73 PolarHBondContact O-N 3.43Å; A70-M74 PolarHBondContact O-N 2.91Å
71	I	83.4	Confident	75.4	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-63.9	-44	175.8	-67.7	-175.5	0	0	0	111.1	V41 L45 M67 A73 M74 Q75 L86	V41-I71 HydrophobicContact CG1-CD1 4.03Å; V41-I71 HydrophobicContact CG1-CG1 4.44Å; L45-I71 HydrophobicContact CD1-CD1 4.44Å; L45-I71 HydrophobicContact CD1-CG1 3.66Å; L45-I71 HydrophobicContact CD2-CG1 4.39Å; M67-I71 WeakPolarHBondContact O-CG1 3.27Å; M67-I71 PolarHBondContact O-N 3.03Å; I71-A73 VanDerWaalsContact C-N 3.26Å; I71-A73 PolarHBondContact O-N 3.48Å; I71-M74 WeakPolarHBondContact O-CB 3.3Å; I71-M74 PolarHBondContact O-N 3.3Å; I71-Q75 HydrophobicContact CG2-CG 4.1Å; I71-Q75 WeakPolarHBondContact O-CB 3.43Å; I71-Q75 VanDerWaalsContact O-CG 3.31Å; I71-Q75 WeakPolarHBondContact O-CG 3.46Å; I71-Q75 PolarHBondContact O-N 3.01Å; I71-L86 HydrophobicContact CD1-CD1 3.33Å; I71-L86 HydrophobicContact CD1-CD2 4.06Å; I71-L86 HydrophobicContact CD1-CG 3.39Å; I71-L86 HydrophobicContact CG1-CD1 4.21Å
72	A	82.7	Confident	76.9	Confident	7 Å²	7	57.6 Å²	57.6	6%	0.058	31%	0.31	C	S	.	.	H	α-helix	trans	-63	-33.1	177.3	0	0	0	0	0	112.4	H68 T69 R76 V82	H68-A72 WeakPolarHBondContact O-CB 3.5Å; H68-A72 PolarHBondContact O-N 3.34Å; T69-A72 PolarHBondContact O-N 3.17Å; A72-R76 WeakPolarHBondContact O-CB 3.21Å; A72-R76 PolarHBondContact O-N 3.32Å; A72-V82 HydrophobicContact CB-CG1 3.71Å
73	A	82.1	Confident	77.8	Confident	25 Å²	25	56.9 Å²	56.9	21%	0.207	31%	0.313	C	S	.	.	H	α-helix	trans	-67.8	-45.9	174.4	0	0	0	0	0	111.7	Y50 T69 A70 I71 R76 R77	Y50-A73 HydrophobicContact CD1-CB 3.96Å; Y50-A73 HydrophobicContact CE1-CB 4.45Å; T69-A73 WeakPolarHBondContact O-CB 3.48Å; T69-A73 PolarHBondContact O-N 2.9Å; A70-A73 WeakPolarHBondContact O-CB 3.46Å; A70-A73 PolarHBondContact O-N 3.43Å; I71-A73 VanDerWaalsContact C-N 3.26Å; I71-A73 PolarHBondContact O-N 3.48Å; A73-R76 PolarHBondContact O-N 3.49Å; A73-R77 PolarHBondContact O-N 2.73Å
74	M	84.3	Confident	78.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-56.9	-54.5	173.1	179.1	-76.7	-174.2	0	0	111.5	W44 L45 Y50 A70 I71 R76 R77 Y78 L80 M99	W44-M74 HydrophobicContact CH2-CE 3.65Å; W44-M74 HydrophobicContact CH2-CG 3.77Å; W44-M74 HydrophobicContact CZ2-CE 4.12Å; W44-M74 HydrophobicContact CZ3-CB 4.48Å; W44-M74 HydrophobicContact CZ3-CE 4.03Å; W44-M74 HydrophobicContact CZ3-CG 3.47Å; W44-M74 VanDerWaalsContact CZ3-CG 3.47Å; L45-M74 HydrophobicContact CD2-CB 4.05Å; L45-M74 HydrophobicContact CD2-CG 4.32Å; Y50-M74 HydrophobicContact CD1-CB 4Å; Y50-M74 HydrophobicContact CD2-CB 4.16Å; Y50-M74 HydrophobicContact CD2-CG 4.4Å; Y50-M74 VanDerWaalsContact CE1-CA 3.42Å; Y50-M74 HydrophobicContact CE1-CB 3.94Å; Y50-M74 HydrophobicContact CE2-CB 4.11Å; Y50-M74 HydrophobicContact CE2-CG 4.1Å; Y50-M74 HydrophobicContact CG-CB 4.1Å; A70-M74 PolarHBondContact O-N 2.91Å; I71-M74 WeakPolarHBondContact O-CB 3.3Å; I71-M74 PolarHBondContact O-N 3.3Å; M74-R76 VanDerWaalsContact C-N 3.3Å; M74-R76 PolarHBondContact O-N 2.72Å; M74-R77 PolarHBondContact O-N 3.01Å; M74-R77 VanDerWaalsContact O-N 3.09Å; M74-Y78 HydrophobicContact CE-CD2 3.68Å; M74-Y78 HydrophobicContact CE-CE2 3.55Å; M74-Y78 HydrophobicContact CG-CD2 4.01Å; M74-Y78 HydrophobicContact CG-CE2 3.56Å; M74-Y78 WeakPolarHBondContact O-CD2 3.32Å; M74-Y78 PolarHBondContact O-N 3.25Å; M74-Y78 HydrophobicContact SD-CD2 3.64Å; M74-Y78 HydrophobicContact SD-CE2 3.74Å; M74-L80 HydrophobicContact CE-CD1 4.34Å; M74-L80 HydrophobicContact SD-CD1 4.15Å; M74-M99 HydrophobicContact CE-CE 3.77Å; M74-M99 HydrophobicContact CE-CG 3.4Å; M74-M99 VanDerWaalsContact CE-CG 3.4Å; M74-M99 HydrophobicContact CE-SD 4.48Å; M74-M99 HydrophobicContact CG-CE 4.18Å; M74-M99 HydrophobicContact SD-CE 4Å
75	Q	83.2	Confident	78.6	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.009	29%	0.288	C	S	.	.	H	α-helix	trans	-58.3	-43.2	178.9	-72.8	170.9	-25	0	0	111.6	I71 R77 Y78 G79 L80 N81 V82 T83 T95	I71-Q75 HydrophobicContact CG2-CG 4.1Å; I71-Q75 WeakPolarHBondContact O-CB 3.43Å; I71-Q75 VanDerWaalsContact O-CG 3.31Å; I71-Q75 WeakPolarHBondContact O-CG 3.46Å; I71-Q75 PolarHBondContact O-N 3.01Å; Q75-R77 VanDerWaalsContact C-N 3.34Å; Q75-R77 PolarHBondContact O-N 2.83Å; Q75-Y78 PolarHBondContact O-N 2.93Å; Q75-G79 PolarHBondContact O-N 3.33Å; Q75-G79 VanDerWaalsContact O-N 3.11Å; Q75-L80 HydrophobicContact CB-CB 3.99Å; Q75-L80 HydrophobicContact CG-CB 4.13Å; Q75-L80 HydrophobicContact CG-CD1 4.34Å; Q75-L80 PolarHBondContact O-N 3.12Å; Q75-N81 PolarHBondContact OE1-O 3.01Å; Q75-V82 HydrophobicContact CB-CG2 4.28Å; Q75-T83 PolarHBondContact NE2-OG1 2.68Å; Q75-T95 HydrophobicContact CG-CG2 4.42Å; Q75-T95 PolarHBondContact NE2-OG1 2.94Å; Q75-T95 VanDerWaalsContact NE2-OG1 3.07Å
76	R	81	Confident	78.2	Confident	161 Å²	161	49.1 Å²	49.1	61%	0.608	27%	0.27	S	S	*	.	H	α-helix	trans	-64	-38	177.5	-175.2	-177.8	-61.7	107.8	1.5	112.2	A72 A73 M74 V82	A72-R76 WeakPolarHBondContact O-CB 3.21Å; A72-R76 PolarHBondContact O-N 3.32Å; A73-R76 PolarHBondContact O-N 3.49Å; M74-R76 VanDerWaalsContact C-N 3.3Å; M74-R76 PolarHBondContact O-N 2.72Å; R76-V82 HydrophobicContact CB-CG2 4.01Å
77	R	76.9	Confident	77.2	Confident	63 Å²	63	51.3 Å²	51.3	24%	0.238	28%	0.28	C	S	.	.	H	α-helix	trans	-64.2	-44	179.5	-177.6	172.4	-65.1	-129.7	3.6	111.4	Y50 A73 M74 Q75 G79 D108 E109	Y50-R77 VanDerWaalsContact OH-CD 3.22Å; Y50-R77 WeakPolarHBondContact OH-CD 3.42Å; A73-R77 PolarHBondContact O-N 2.73Å; M74-R77 PolarHBondContact O-N 3.01Å; M74-R77 VanDerWaalsContact O-N 3.09Å; Q75-R77 VanDerWaalsContact C-N 3.34Å; Q75-R77 PolarHBondContact O-N 2.83Å; R77-G79 VanDerWaalsContact C-N 3.34Å; R77-D108 PolarHBondContact NH1-O 3.02Å; R77-D108 PolarHBondContact NH2-O 3.48Å; R77-E109 IonicContact NH2-OE1 2.87Å; R77-E109 PolarHBondContact NH2-OE1 2.87Å
78	Y	76.2	Confident	75.8	Confident	33 Å²	33	56 Å²	56	13%	0.129	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	7.7	-175.3	-47.6	-53.1	0	0	0	114.2	W44 Y50 M74 Q75 L80 R103 D108 P269 F270	W44-Y78 AromaticContact CH2-CE2 3.89Å; W44-Y78 HydrophobicContact CH2-CE2 3.89Å; Y50-Y78 PolarHBondContact OH-OH 3.49Å; M74-Y78 HydrophobicContact CE-CD2 3.68Å; M74-Y78 HydrophobicContact CE-CE2 3.55Å; M74-Y78 HydrophobicContact CG-CD2 4.01Å; M74-Y78 HydrophobicContact CG-CE2 3.56Å; M74-Y78 WeakPolarHBondContact O-CD2 3.32Å; M74-Y78 PolarHBondContact O-N 3.25Å; M74-Y78 HydrophobicContact SD-CD2 3.64Å; M74-Y78 HydrophobicContact SD-CE2 3.74Å; Q75-Y78 PolarHBondContact O-N 2.93Å; Y78-L80 VanDerWaalsContact C-N 3.28Å; Y78-L80 PolarHBondContact O-N 3.45Å; Y78-R103 PolarHBondContact OH-NH1 2.92Å; Y78-D108 PolarHBondContact OH-OD2 3.13Å; Y78-P269 HydrophobicContact CD1-CG 4.32Å; Y78-P269 HydrophobicContact CE1-CG 3.71Å; Y78-F270 HydrophobicContact CD1-CD2 4.18Å; Y78-F270 AromaticContact CD1-CE2 3.57Å; Y78-F270 HydrophobicContact CD1-CE2 3.57Å; Y78-F270 AromaticContact CD2-CE2 3.77Å; Y78-F270 HydrophobicContact CD2-CE2 3.77Å; Y78-F270 HydrophobicContact CD2-CZ 4.18Å; Y78-F270 HydrophobicContact CE1-CD2 4.3Å; Y78-F270 AromaticContact CE1-CE2 3.6Å; Y78-F270 HydrophobicContact CE1-CE2 3.6Å; Y78-F270 HydrophobicContact CE1-CZ 4.43Å; Y78-F270 AromaticContact CE2-CE2 3.74Å; Y78-F270 HydrophobicContact CE2-CE2 3.74Å; Y78-F270 AromaticContact CE2-CZ 3.91Å; Y78-F270 HydrophobicContact CE2-CZ 3.91Å; Y78-F270 AromaticContact CG-CE2 3.64Å; Y78-F270 HydrophobicContact CG-CE2 3.64Å; Y78-F270 HydrophobicContact CG-CZ 4.49Å; Y78-F270 AromaticContact CZ-CE2 3.65Å
79	G	76.7	Confident	74.4	Confident	67 Å²	67	59.5 Å²	59.5	69%	0.691	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	24.8	179.4	0	0	0	0	0	114	Q75 R77	Q75-G79 PolarHBondContact O-N 3.33Å; Q75-G79 VanDerWaalsContact O-N 3.11Å; R77-G79 VanDerWaalsContact C-N 3.34Å
80	L	78.9	Confident	72.8	Confident	17 Å²	17	60.1 Å²	60.1	9%	0.089	34%	0.34	C	S	.	.			trans	-76.9	162.3	171.3	-54.4	-179.6	0	0	0	110.5	M74 Q75 Y78 V82 W98	M74-L80 HydrophobicContact CE-CD1 4.34Å; M74-L80 HydrophobicContact SD-CD1 4.15Å; Q75-L80 HydrophobicContact CB-CB 3.99Å; Q75-L80 HydrophobicContact CG-CB 4.13Å; Q75-L80 HydrophobicContact CG-CD1 4.34Å; Q75-L80 PolarHBondContact O-N 3.12Å; Y78-L80 VanDerWaalsContact C-N 3.28Å; Y78-L80 PolarHBondContact O-N 3.45Å; L80-V82 PolarHBondContact O-N 3.48Å; L80-V82 VanDerWaalsContact O-N 3.07Å; L80-W98 HydrophobicContact CD1-CB 3.95Å; L80-W98 HydrophobicContact CD1-CD2 4.5Å; L80-W98 HydrophobicContact CD1-CG 3.95Å; L80-W98 VanDerWaalsContact CD2-CD1 3.49Å; L80-W98 HydrophobicContact CD2-CD2 3.72Å; L80-W98 VanDerWaalsContact CD2-CE2 3.5Å; L80-W98 HydrophobicContact CD2-CE3 4.5Å; L80-W98 HydrophobicContact CD2-CG 3.72Å; L80-W98 HydrophobicContact CD2-CZ2 4.09Å; L80-W98 HydrophobicContact CG-CG 4.48Å
81	N	79.2	Confident	71.5	Confident	121 Å²	121	61.7 Å²	61.7	65%	0.647	35%	0.347	S	S	*	.			trans	-60.1	116.2	170.4	-73.3	-14.9	0	0	0	109.2	Q75 T83	Q75-N81 PolarHBondContact OE1-O 3.01Å; N81-T83 PolarHBondContact O-N 2.89Å
82	V	81.6	Confident	70.3	Confident	75 Å²	75	64.8 Å²	64.8	46%	0.455	36%	0.364	S	S	.	.			trans	-78.8	90.9	-175.8	-173.9	0	0	0	0	108.8	A72 Q75 R76 L80	A72-V82 HydrophobicContact CB-CG1 3.71Å; Q75-V82 HydrophobicContact CB-CG2 4.28Å; R76-V82 HydrophobicContact CB-CG2 4.01Å; L80-V82 PolarHBondContact O-N 3.48Å; L80-V82 VanDerWaalsContact O-N 3.07Å
83	T	77.4	Confident	69.4	Low	53 Å²	53	70.5 Å²	70.5	33%	0.325	39%	0.393	S	S	.	.			trans	-95.9	-37.1	176.5	60.4	0	0	0	0	111.5	H68 Q75 N81 N85	H68-T83 PolarHBondContact NE2-O 2.96Å; Q75-T83 PolarHBondContact NE2-OG1 2.68Å; N81-T83 PolarHBondContact O-N 2.89Å; T83-N85 PolarHBondContact O-N 3.05Å; T83-N85 VanDerWaalsContact O-N 3.13Å; T83-N85 PolarHBondContact O-OD1 3.38Å
84	G	71.4	Confident	69	Low	0 Å²	0	72 Å²	72	0%	0	40%	0.398	C	S	.	.			trans	65.1	2.2	-174.3	0	0	0	0	0	114.9	H68	H68-G84 WeakPolarHBondContact CA-O 3.15Å; H68-G84 VanDerWaalsContact CB-O 3.3Å; H68-G84 WeakPolarHBondContact CB-O 3.38Å; H68-G84 PolarHBondContact CD2-O 3.1Å
85	N	72.1	Confident	68.7	Low	99 Å²	99	72.1 Å²	72.1	53%	0.529	40%	0.399	S	S	.	.			trans	-79.8	135.4	-172	-70.1	-12.1	0	0	0	112.2	T83	T83-N85 PolarHBondContact O-N 3.05Å; T83-N85 VanDerWaalsContact O-N 3.13Å; T83-N85 PolarHBondContact O-OD1 3.38Å
86	L	61.5	Low	68.5	Low	71 Å²	71	73.4 Å²	73.4	37%	0.372	41%	0.405	S	S	.	.			trans	-110.6	100.1	159.7	-75.7	98.4	0	0	0	107.9	M67 I71	M67-L86 HydrophobicContact CB-CD1 3.4Å; M67-L86 HydrophobicContact CB-CD2 4.24Å; M67-L86 HydrophobicContact CB-CG 4.46Å; M67-L86 HydrophobicContact CE-CD2 3.67Å; I71-L86 HydrophobicContact CD1-CD1 3.33Å; I71-L86 HydrophobicContact CD1-CD2 4.06Å; I71-L86 HydrophobicContact CD1-CG 3.39Å; I71-L86 HydrophobicContact CG1-CD1 4.21Å
87	D	51.7	Low	68.5	Low	102 Å²	102	74 Å²	74	55%	0.545	41%	0.408	S	S	.	.			trans	-107.5	120.5	151.3	-101.4	-32.8	0	0	0	107.3	N89 T90 I91	D87-N89 PolarHBondContact O-N 3.26Å; D87-T90 WeakPolarHBondContact CB-OG1 3.41Å; D87-T90 CarbonylContact O-C 3.03Å; D87-T90 PolarHBondContact O-N 3.29Å; D87-I91 PolarHBondContact O-N 3.01Å
88	S	48.4	Very low	68.7	Low	116 Å²	116	74.2 Å²	74.2	81%	0.811	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-4.1	-179.5	59.6	0	0	0	0	113.6
89	N	50.2	Low	69.1	Low	153 Å²	153	72.8 Å²	72.8	82%	0.818	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	-6.4	170.1	-67.7	-14.7	0	0	0	113.3	D87	D87-N89 PolarHBondContact O-N 3.26Å
90	T	48.8	Very low	69.4	Low	92 Å²	92	75.4 Å²	75.4	56%	0.564	40%	0.395	S	S	*	.			trans	-155.7	63	-179.1	45	0	0	0	0	109.9	D87 D92	D87-T90 WeakPolarHBondContact CB-OG1 3.41Å; D87-T90 CarbonylContact O-C 3.03Å; D87-T90 PolarHBondContact O-N 3.29Å; T90-D92 PolarHBondContact O-N 3.5Å
91	I	53.4	Low	69.7	Low	37 Å²	37	78.7 Å²	78.7	19%	0.19	41%	0.406	C	S	.	.			trans	-63.6	132	152.9	-57.3	166.6	0	0	0	103.9	V41 D87 D93 T95 I96	V41-I91 HydrophobicContact CG2-CD1 3.38Å; D87-I91 PolarHBondContact O-N 3.01Å; I91-D93 PolarHBondContact O-N 2.86Å; I91-T95 HydrophobicContact CG2-CG2 4.4Å; I91-I96 HydrophobicContact CB-CD1 4.21Å; I91-I96 HydrophobicContact CB-CG1 3.63Å; I91-I96 HydrophobicContact CD1-CD1 3.35Å; I91-I96 HydrophobicContact CD1-CG1 3.61Å; I91-I96 HydrophobicContact CG1-CD1 4.36Å; I91-I96 HydrophobicContact CG1-CG1 4.24Å; I91-I96 HydrophobicContact CG2-CD1 3.87Å; I91-I96 HydrophobicContact CG2-CG1 3.46Å; I91-I96 VanDerWaalsContact CG2-CG1 3.46Å
92	D	58.3	Low	70.2	Confident	67 Å²	67	74.7 Å²	74.7	36%	0.358	39%	0.387	S	S	.	.			trans	-45.2	112.7	170.7	174.1	27.5	0	0	0	107.2	T90 N94 T95 I96	T90-D92 PolarHBondContact O-N 3.5Å; D92-N94 CarbonylContact O-C 3.54Å; D92-N94 PolarHBondContact O-N 2.97Å; D92-N94 WeakPolarHBondContact OD2-CB 3.21Å; D92-T95 PolarHBondContact O-N 3.3Å; D92-I96 PolarHBondContact O-N 3.43Å
93	D	64	Low	70.7	Confident	126 Å²	126	71.1 Å²	71.1	67%	0.674	37%	0.366	S	S	*	.	H	α-helix	trans	-50.3	-29	-171.7	-77.1	-31.6	0	0	0	110.8	I91 R97	I91-D93 PolarHBondContact O-N 2.86Å; D93-R97 WeakPolarHBondContact O-CB 3.4Å; D93-R97 PolarHBondContact O-N 2.83Å
94	N	74.5	Confident	71.4	Confident	58 Å²	58	68.9 Å²	68.9	31%	0.31	35%	0.352	S	S	.	.	H	α-helix	trans	-61.6	-48.5	172.8	-168	31.9	0	0	0	113	D92 I96 R97 W98	D92-N94 CarbonylContact O-C 3.54Å; D92-N94 PolarHBondContact O-N 2.97Å; D92-N94 WeakPolarHBondContact OD2-CB 3.21Å; N94-I96 PolarHBondContact O-N 2.8Å; N94-R97 PolarHBondContact O-N 2.97Å; N94-W98 WeakPolarHBondContact O-CB 3.41Å; N94-W98 PolarHBondContact O-N 3.39Å; N94-W98 VanDerWaalsContact OD1-CD1 3.25Å; N94-W98 PolarHBondContact OD1-NE1 2.97Å
95	T	78.1	Confident	72.1	Confident	2 Å²	2	69.2 Å²	69.2	1%	0.012	36%	0.356	C	S	.	.	H	α-helix	trans	-62.4	-43.6	179.5	-60.8	0	0	0	0	111.9	Q75 I91 D92 W98 M99	Q75-T95 HydrophobicContact CG-CG2 4.42Å; Q75-T95 PolarHBondContact NE2-OG1 2.94Å; Q75-T95 VanDerWaalsContact NE2-OG1 3.07Å; I91-T95 HydrophobicContact CG2-CG2 4.4Å; D92-T95 PolarHBondContact O-N 3.3Å; T95-W98 PolarHBondContact O-N 3.17Å; T95-M99 HydrophobicContact CG2-CE 3.86Å; T95-M99 HydrophobicContact CG2-SD 4.4Å; T95-M99 WeakPolarHBondContact O-CG 3.33Å; T95-M99 PolarHBondContact O-N 3.26Å
96	I	79.3	Confident	72.8	Confident	29 Å²	29	64.9 Å²	64.9	15%	0.149	33%	0.333	C	S	.	.	H	α-helix	trans	-65.5	-44.7	174.6	-71.3	-53.9	0	0	0	111.5	F39 V41 I91 D92 N94 W98 M99 K100	F39-I96 HydrophobicContact CD1-CD1 3.76Å; F39-I96 HydrophobicContact CD1-CG2 4.45Å; F39-I96 HydrophobicContact CE1-CD1 3.49Å; F39-I96 VanDerWaalsContact CE1-CD1 3.49Å; V41-I96 HydrophobicContact CG2-CD1 3.59Å; I91-I96 HydrophobicContact CB-CD1 4.21Å; I91-I96 HydrophobicContact CB-CG1 3.63Å; I91-I96 HydrophobicContact CD1-CD1 3.35Å; I91-I96 HydrophobicContact CD1-CG1 3.61Å; I91-I96 HydrophobicContact CG1-CD1 4.36Å; I91-I96 HydrophobicContact CG1-CG1 4.24Å; I91-I96 HydrophobicContact CG2-CD1 3.87Å; I91-I96 HydrophobicContact CG2-CG1 3.46Å; I91-I96 VanDerWaalsContact CG2-CG1 3.46Å; D92-I96 PolarHBondContact O-N 3.43Å; N94-I96 PolarHBondContact O-N 2.8Å; I96-W98 PolarHBondContact O-N 3.16Å; I96-M99 HydrophobicContact CD1-SD 4.15Å; I96-M99 PolarHBondContact O-N 3.36Å; I96-M99 VanDerWaalsContact O-N 3.08Å; I96-K100 HydrophobicContact CG2-CD 3.96Å; I96-K100 HydrophobicContact CG2-CG 4.24Å; I96-K100 WeakPolarHBondContact O-CG 3.27Å; I96-K100 PolarHBondContact O-N 2.91Å
97	R	80.1	Confident	73.9	Confident	174 Å²	174	63.9 Å²	63.9	66%	0.657	33%	0.33	S	S	*	.	H	α-helix	trans	-56.9	-39.3	177.3	-174.3	-178.7	-61.9	178.2	1.1	111.1	D93 N94 R101	D93-R97 WeakPolarHBondContact O-CB 3.4Å; D93-R97 PolarHBondContact O-N 2.83Å; N94-R97 PolarHBondContact O-N 2.97Å; R97-R101 WeakPolarHBondContact O-CG 3.36Å; R97-R101 PolarHBondContact O-N 3Å
98	W	81.6	Confident	75.2	Confident	66 Å²	66	59.6 Å²	59.6	25%	0.25	31%	0.307	C	S	.	.	H	α-helix	trans	-66.8	-44.4	173.6	-88.6	95.1	0	0	0	112.9	L80 N94 T95 I96 K100 R101 F270	L80-W98 HydrophobicContact CD1-CB 3.95Å; L80-W98 HydrophobicContact CD1-CD2 4.5Å; L80-W98 HydrophobicContact CD1-CG 3.95Å; L80-W98 VanDerWaalsContact CD2-CD1 3.49Å; L80-W98 HydrophobicContact CD2-CD2 3.72Å; L80-W98 VanDerWaalsContact CD2-CE2 3.5Å; L80-W98 HydrophobicContact CD2-CE3 4.5Å; L80-W98 HydrophobicContact CD2-CG 3.72Å; L80-W98 HydrophobicContact CD2-CZ2 4.09Å; L80-W98 HydrophobicContact CG-CG 4.48Å; N94-W98 WeakPolarHBondContact O-CB 3.41Å; N94-W98 PolarHBondContact O-N 3.39Å; N94-W98 VanDerWaalsContact OD1-CD1 3.25Å; N94-W98 PolarHBondContact OD1-NE1 2.97Å; T95-W98 PolarHBondContact O-N 3.17Å; I96-W98 PolarHBondContact O-N 3.16Å; W98-K100 PolarHBondContact O-N 2.88Å; W98-R101 WeakPolarHBondContact O-CB 3.26Å; W98-R101 PolarHBondContact O-N 3Å; W98-R101 VanDerWaalsContact O-N 3.11Å; W98-F270 HydrophobicContact CE3-CD2 4.28Å; W98-F270 HydrophobicContact CE3-CE2 4.11Å; W98-F270 HydrophobicContact CE3-CZ 4.27Å; W98-F270 HydrophobicContact CZ3-CD2 4.12Å; W98-F270 HydrophobicContact CZ3-CE2 4.33Å; W98-F270 HydrophobicContact CZ3-CG 4.45Å; W98-F270 WeakPolarHBondContact O-CE1 3.32Å
99	M	84.1	Confident	76.1	Confident	3 Å²	3	57 Å²	57	2%	0.015	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-29.8	177.4	-72.3	176.4	174.3	0	0	113.4	F39 V41 W44 L45 M74 T95 I96 R101	F39-M99 HydrophobicContact CE1-CB 4.1Å; F39-M99 HydrophobicContact CE1-SD 3.98Å; F39-M99 HydrophobicContact CE2-CB 4.26Å; F39-M99 HydrophobicContact CZ-CB 3.49Å; F39-M99 VanDerWaalsContact CZ-CB 3.49Å; F39-M99 HydrophobicContact CZ-CG 4.27Å; F39-M99 HydrophobicContact CZ-SD 3.98Å; V41-M99 HydrophobicContact CG1-CE 4.11Å; V41-M99 HydrophobicContact CG1-SD 4.15Å; V41-M99 HydrophobicContact CG2-SD 4.44Å; W44-M99 HydrophobicContact CD2-CB 4.2Å; W44-M99 HydrophobicContact CD2-CG 3.89Å; W44-M99 HydrophobicContact CD2-SD 4.23Å; W44-M99 HydrophobicContact CE3-CE 4.01Å; W44-M99 HydrophobicContact CE3-CG 4.16Å; W44-M99 HydrophobicContact CE3-SD 4.27Å; W44-M99 HydrophobicContact CG-CB 4.38Å; W44-M99 HydrophobicContact CG-CG 4.43Å; W44-M99 HydrophobicContact CH2-CG 4.44Å; W44-M99 HydrophobicContact CZ2-CB 4.35Å; W44-M99 HydrophobicContact CZ2-CG 4.09Å; W44-M99 HydrophobicContact CZ3-CE 4.29Å; W44-M99 HydrophobicContact CZ3-CG 4.46Å; W44-M99 PolarHBondContact NE1-O 3.31Å; L45-M99 HydrophobicContact CD2-CE 4.21Å; M74-M99 HydrophobicContact CE-CE 3.77Å; M74-M99 HydrophobicContact CE-CG 3.4Å; M74-M99 VanDerWaalsContact CE-CG 3.4Å; M74-M99 HydrophobicContact CE-SD 4.48Å; M74-M99 HydrophobicContact CG-CE 4.18Å; M74-M99 HydrophobicContact SD-CE 4Å; T95-M99 HydrophobicContact CG2-CE 3.86Å; T95-M99 HydrophobicContact CG2-SD 4.4Å; T95-M99 WeakPolarHBondContact O-CG 3.33Å; T95-M99 PolarHBondContact O-N 3.26Å; I96-M99 HydrophobicContact CD1-SD 4.15Å; I96-M99 PolarHBondContact O-N 3.36Å; I96-M99 VanDerWaalsContact O-N 3.08Å; M99-R101 VanDerWaalsContact C-N 3.34Å
100	K	83.4	Confident	76.3	Confident	122 Å²	122	52.9 Å²	52.9	53%	0.53	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-4.5	176.7	-69.3	-174.8	175.1	-167.7	0	114	F39 I96 W98	F39-K100 HydrophobicContact CD2-CG 4.09Å; F39-K100 HydrophobicContact CE2-CG 4.28Å; F39-K100 HydrophobicContact CG-CG 4.43Å; I96-K100 HydrophobicContact CG2-CD 3.96Å; I96-K100 HydrophobicContact CG2-CG 4.24Å; I96-K100 WeakPolarHBondContact O-CG 3.27Å; I96-K100 PolarHBondContact O-N 2.91Å; W98-K100 PolarHBondContact O-N 2.88Å
101	R	85.6	Confident	76.2	Confident	86 Å²	86	50.7 Å²	50.7	33%	0.325	26%	0.255	S	S	.	.	S	Bend	trans	-67.7	144.4	176	-75.5	-176.5	62.5	-176.8	-4	110.3	R97 W98 M99 R103 F270 Y271	R97-R101 WeakPolarHBondContact O-CG 3.36Å; R97-R101 PolarHBondContact O-N 3Å; W98-R101 WeakPolarHBondContact O-CB 3.26Å; W98-R101 PolarHBondContact O-N 3Å; W98-R101 VanDerWaalsContact O-N 3.11Å; M99-R101 VanDerWaalsContact C-N 3.34Å; R101-R103 PolarHBondContact O-N 2.66Å; R101-F270 HydrophobicContact CB-CD1 3.77Å; R101-F270 HydrophobicContact CB-CE1 4.07Å; R101-Y271 PolarHBondContact NH2-O 2.88Å
102	P	89.8	Confident	75.5	Confident	37 Å²	37	51.1 Å²	51.1	24%	0.24	27%	0.27	C	S	.	.			trans	-58.4	136.1	173.3	24.8	-33.5	0	0	0	110.7	G207 L209 Y271	P102-G207 CarbonylContact C-O 3.54Å; P102-G207 WeakPolarHBondContact CA-O 3.46Å; P102-L209 HydrophobicContact CB-CD1 3.98Å; P102-L209 HydrophobicContact CB-CD2 3.61Å; P102-L209 HydrophobicContact CB-CG 3.9Å; P102-Y271 HydrophobicContact CG-CD1 4.18Å; P102-Y271 WeakPolarHBondContact O-CB 3.43Å; P102-Y271 PolarHBondContact O-N 2.81Å
103	R	91.8	Very high	74.6	Confident	1 Å²	1	50.9 Å²	50.9	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	166.3	-174.2	65.7	162.2	-68.2	171.1	13.5	112.2	Y48 Y78 R101 D108 G207 L209 P269 F270	Y48-R103 HydrophobicContact CE1-CG 4.49Å; Y48-R103 VanDerWaalsContact CZ-CD 3.45Å; Y48-R103 WeakPolarHBondContact OH-CD 3.16Å; Y78-R103 PolarHBondContact OH-NH1 2.92Å; R101-R103 PolarHBondContact O-N 2.66Å; R103-D108 IonicContact CZ-OD1 3.15Å; R103-D108 IonicContact CZ-OD2 2.81Å; R103-D108 IonicContact NH1-OD2 3.02Å; R103-D108 PolarHBondContact NH1-OD2 3.29Å; R103-D108 VanDerWaalsContact NH2-CG 3.34Å; R103-D108 IonicContact NH2-OD1 3.5Å; R103-D108 PolarHBondContact NH2-OD1 3.17Å; R103-D108 IonicContact NH2-OD2 3.66Å; R103-D108 PolarHBondContact NH2-OD2 2.84Å; R103-D108 VanDerWaalsContact NH2-OD2 3.08Å; R103-G207 WeakPolarHBondContact CG-O 3.31Å; R103-G207 PolarHBondContact N-O 2.67Å; R103-G207 VanDerWaalsContact O-O 3.12Å; R103-L209 PolarHBondContact O-N 3.11Å; R103-P269 CarbonylContact C-O 2.98Å; R103-P269 WeakPolarHBondContact CA-O 3.19Å; R103-P269 WeakPolarHBondContact CB-O 3.36Å; R103-F270 HydrophobicContact CB-CD1 3.74Å; R103-F270 HydrophobicContact CB-CE1 4.15Å; R103-F270 HydrophobicContact CB-CG 4.38Å; R103-F270 HydrophobicContact CG-CE1 4.46Å
104	C	91.6	Very high	73	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.034	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	143.8	167.9	176.2	0	0	0	0	111	Y48 V106 H249 E250 H259 P269	Y48-C104 WeakPolarHBondContact CE1-O 3.49Å; C104-V106 PolarHBondContact SG-N 3.37Å; C104-V106 VanDerWaalsContact SG-N 3.38Å; C104-H249 VanDerWaalsContact CB-NE2 3.31Å; C104-H249 WeakPolarHBondContact CB-NE2 3.42Å; C104-E250 WeakPolarHBondContact CB-OE1 3.34Å; C104-E250 PolarHBondContact SG-OE1 3.07Å; C104-E250 PolarHBondContact SG-OE2 2.71Å; C104-H259 WeakPolarHBondContact CB-NE2 3.47Å; C104-P269 PolarHBondContact N-O 3.31Å
105	G	86.6	Confident	71.2	Confident	8 Å²	8	55.7 Å²	55.7	8%	0.082	30%	0.298	C	S	.	.			trans	-76	-14.9	179	0	0	0	0	0	116.1	A210	G105-A210 PolarHBondContact N-O 2.93Å
106	V	86.8	Confident	69.2	Low	8 Å²	8	64 Å²	64	5%	0.048	33%	0.334	C	S	.	.	S	Bend	trans	-64.2	134.9	-177.6	176.3	0	0	0	0	109.9	C104 H211 F214 H259	C104-V106 PolarHBondContact SG-N 3.37Å; C104-V106 VanDerWaalsContact SG-N 3.38Å; V106-H211 HydrophobicContact CG2-CB 4.12Å; V106-F214 HydrophobicContact CG1-CE2 4.29Å; V106-F214 HydrophobicContact CG1-CZ 3.88Å; V106-H259 PolarHBondContact O-CE1 2.94Å; V106-H259 PolarHBondContact O-ND1 3.32Å
107	P	83.2	Confident	66.9	Low	49 Å²	49	68.2 Å²	68.2	32%	0.318	37%	0.366	S	S	.	.			trans	-62.1	142.7	178.8	-24.6	33.8	0	0	0	112.9	E109	P107-E109 VanDerWaalsContact C-N 3.35Å
108	D	79.6	Confident	64.7	Low	12 Å²	12	65 Å²	65	6%	0.064	37%	0.365	C	S	.	.	S	Bend	trans	-77.2	-25.6	179.1	-60.8	-51.7	0	0	0	112.3	Y48 Y50 R77 Y78 R103 H259	Y48-D108 PolarHBondContact O-N 3.3Å; Y50-D108 HydrophobicContact CE2-CB 4.36Å; Y50-D108 PolarHBondContact OH-OD2 3.21Å; Y50-D108 VanDerWaalsContact OH-OD2 3.09Å; R77-D108 PolarHBondContact NH1-O 3.02Å; R77-D108 PolarHBondContact NH2-O 3.48Å; Y78-D108 PolarHBondContact OH-OD2 3.13Å; R103-D108 IonicContact CZ-OD1 3.15Å; R103-D108 IonicContact CZ-OD2 2.81Å; R103-D108 IonicContact NH1-OD2 3.02Å; R103-D108 PolarHBondContact NH1-OD2 3.29Å; R103-D108 VanDerWaalsContact NH2-CG 3.34Å; R103-D108 IonicContact NH2-OD1 3.5Å; R103-D108 PolarHBondContact NH2-OD1 3.17Å; R103-D108 IonicContact NH2-OD2 3.66Å; R103-D108 PolarHBondContact NH2-OD2 2.84Å; R103-D108 VanDerWaalsContact NH2-OD2 3.08Å; D108-H259 IonicContact OD1-CE1 2.74Å; D108-H259 IonicContact OD1-CG 2.92Å; D108-H259 IonicContact OD1-ND1 3.66Å; D108-H259 PolarHBondContact OD1-ND1 3.5Å
109	E	66.8	Low	62.3	Low	61 Å²	61	72.9 Å²	72.9	29%	0.285	40%	0.395	S	S	.	.	S	Bend	trans	-116.5	96.9	177.7	-71	-169.6	-176.5	0	0	111.4	R77 P107 G111	R77-E109 IonicContact NH2-OE1 2.87Å; R77-E109 PolarHBondContact NH2-OE1 2.87Å; P107-E109 VanDerWaalsContact C-N 3.35Å; E109-G111 PolarHBondContact O-N 3.28Å; E109-G111 VanDerWaalsContact O-N 3.09Å
110	L	55.7	Low	60.2	Low	68 Å²	68	80.1 Å²	80.1	36%	0.356	43%	0.427	S	S	.	.	S	Bend	trans	-75.8	95	172.4	-76.5	149.6	0	0	0	110.6	T126 F214 E258	L110-T126 HydrophobicContact CD1-CG2 4.15Å; L110-F214 HydrophobicContact CD1-CE2 3.67Å; L110-F214 HydrophobicContact CD1-CZ 3.68Å; L110-F214 HydrophobicContact CD2-CE2 3.76Å; L110-F214 HydrophobicContact CG-CE2 4.34Å; L110-E258 HydrophobicContact CD1-CG 3.65Å; L110-E258 WeakPolarHBondContact CD1-OE1 3.26Å
111	G	47.2	Very low	58.2	Low	45 Å²	45	81 Å²	81	46%	0.464	43%	0.426	S	S	.	.	S	Bend	trans	115.8	60.4	170.1	0	0	0	0	0	114.5	E109 A113	E109-G111 PolarHBondContact O-N 3.28Å; E109-G111 VanDerWaalsContact O-N 3.09Å; G111-A113 PolarHBondContact O-N 3.06Å
112	G	38.3	Very low	56	Low	47 Å²	47	86.8 Å²	86.8	49%	0.485	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-14.4	119.3	-179.1	0	0	0	0	0	116.3	S114	G112-S114 PolarHBondContact O-N 3.22Å
113	A	37.9	Very low	54	Low	62 Å²	62	86.8 Å²	86.8	51%	0.512	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	5.8	164.1	0	0	0	0	0	119.3	G111 F116	G111-A113 PolarHBondContact O-N 3.06Å; A113-F116 HydrophobicContact CB-CE2 4Å; A113-F116 WeakPolarHBondContact O-CD2 3.32Å; A113-F116 WeakPolarHBondContact O-CE2 3.48Å
114	S	31.4	Very low	52.2	Low	109 Å²	109	87.6 Å²	87.6	76%	0.762	45%	0.451	S	S	*	.			trans	-116.3	10.3	-173.1	-157.8	0	0	0	0	113.8	G112	G112-S114 PolarHBondContact O-N 3.22Å
115	R	37.4	Very low	50.4	Low	176 Å²	176	88.7 Å²	88.7	66%	0.664	46%	0.456	S	S	*	.			trans	-120.5	35.9	175.2	-69.2	-173	176.5	164.6	0	114	S117	R115-S117 PolarHBondContact O-N 3.48Å
116	F	34.5	Very low	49	Very low	177 Å²	177	89.4 Å²	89.4	78%	0.776	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	13.2	175.4	-74.9	-73	0	0	0	115.5	A113	A113-F116 HydrophobicContact CB-CE2 4Å; A113-F116 WeakPolarHBondContact O-CD2 3.32Å; A113-F116 WeakPolarHBondContact O-CE2 3.48Å
117	S	31.8	Very low	48	Very low	116 Å²	116	92.2 Å²	92.2	81%	0.811	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.1	40.5	-178.4	-174.4	0	0	0	0	114	R115	R115-S117 PolarHBondContact O-N 3.48Å
118	V	33	Very low	47.6	Very low	106 Å²	106	94.3 Å²	94.3	64%	0.642	50%	0.495	S	S	*	.	S	Bend	trans	-126	119.6	170.7	-171.4	0	0	0	0	109.9	K120	V118-K120 PolarHBondContact O-N 2.91Å
119	R	32.6	Very low	48.1	Very low	233 Å²	233	98.3 Å²	98.3	88%	0.879	51%	0.512	S	S	*	.			trans	-22.2	115	168.2	-177.4	-177.5	-174.9	174.7	3.3	112.3	R121	R119-R121 PolarHBondContact O-N 3.11Å; R119-R121 VanDerWaalsContact O-N 3.11Å
120	K	38.6	Very low	49.3	Very low	155 Å²	155	96.4 Å²	96.4	67%	0.674	50%	0.502	S	S	*	.			trans	-52.4	118.5	176.6	-133	178.1	-176.2	-174.3	0	108.8	V118	V118-K120 PolarHBondContact O-N 2.91Å
121	R	41.8	Very low	50.9	Low	140 Å²	140	100.8 Å²	100.8	53%	0.528	52%	0.52	S	S	.	.			trans	-65.7	139.2	178.1	-67.4	179.8	177.1	172.7	-0.5	107.8	R119 Y123 L125 T126	R119-R121 PolarHBondContact O-N 3.11Å; R119-R121 VanDerWaalsContact O-N 3.11Å; R121-Y123 VanDerWaalsContact CB-O 3.28Å; R121-Y123 WeakPolarHBondContact CB-O 3.17Å; R121-Y123 PolarHBondContact O-N 3.06Å; R121-L125 PolarHBondContact NH1-O 3.27Å; R121-T126 PolarHBondContact NH1-O 2.84Å; R121-T126 VanDerWaalsContact NH1-O 3.14Å
122	R	39.1	Very low	53	Low	208 Å²	208	102.3 Å²	102.3	79%	0.785	52%	0.515	S	S	*	.	S	Bend	trans	-62	-22.5	-179	-176.2	-179.6	-69.5	172.2	-3.3	112.3
123	Y	48.5	Very low	55.5	Low	37 Å²	37	105.2 Å²	105.2	15%	0.145	52%	0.515	C	S	.	.	S	Bend	trans	-134.7	154.4	178.5	-49.8	-71.9	0	0	0	108.4	R121 L125 M287 K291	R121-Y123 VanDerWaalsContact CB-O 3.28Å; R121-Y123 WeakPolarHBondContact CB-O 3.17Å; R121-Y123 PolarHBondContact O-N 3.06Å; Y123-L125 VanDerWaalsContact C-N 3.34Å; Y123-L125 PolarHBondContact O-N 2.94Å; Y123-M287 HydrophobicContact CD1-CB 4.05Å; Y123-M287 HydrophobicContact CE1-CB 3.29Å; Y123-M287 HydrophobicContact CE1-CG 4.23Å; Y123-M287 HydrophobicContact CE1-SD 3.91Å; Y123-M287 PolarHBondContact OH-SD 2.98Å; Y123-K291 HydrophobicContact CD2-CB 4.09Å; Y123-K291 HydrophobicContact CD2-CG 3.98Å; Y123-K291 HydrophobicContact CE2-CB 4.32Å; Y123-K291 HydrophobicContact CE2-CD 4.47Å; Y123-K291 HydrophobicContact CE2-CG 4.22Å
124	A	52.9	Low	58.3	Low	18 Å²	18	106.8 Å²	106.8	15%	0.149	51%	0.511	C	S	.	.			trans	-72.4	88.5	175.1	0	0	0	0	0	108	L257 E258 H259	A124-L257 CarbonylContact O-C 3.59Å; A124-L257 WeakPolarHBondContact O-CA 3.48Å; A124-E258 VanDerWaalsContact CB-C 3.44Å; A124-E258 HydrophobicContact CB-CB 3.63Å; A124-E258 WeakPolarHBondContact CB-O 3.26Å; A124-E258 PolarHBondContact O-N 3.17Å; A124-H259 VanDerWaalsContact CB-O 3.26Å; A124-H259 WeakPolarHBondContact CB-O 3.18Å
125	L	55.4	Low	61.4	Low	28 Å²	28	101.6 Å²	101.6	15%	0.147	48%	0.475	C	S	.	.	B	Isolated β-bridge	trans	-124.3	123.1	-176.4	-59.2	178.6	0	0	0	108.2	R121 Y123 G127 L257 K291 I292	R121-L125 PolarHBondContact NH1-O 3.27Å; Y123-L125 VanDerWaalsContact C-N 3.34Å; Y123-L125 PolarHBondContact O-N 2.94Å; L125-G127 PolarHBondContact O-N 3.07Å; L125-L257 HydrophobicContact CD2-CD2 3.95Å; L125-K291 HydrophobicContact CD1-CB 4.27Å; L125-K291 HydrophobicContact CD1-CG 3.77Å; L125-I292 HydrophobicContact CD2-CD1 3.61Å; L125-I292 HydrophobicContact CD2-CG1 3.45Å; L125-I292 VanDerWaalsContact CD2-CG1 3.45Å
126	T	57.6	Low	64.1	Low	22 Å²	22	94.2 Å²	94.2	14%	0.135	45%	0.449	C	S	.	.			trans	-65.2	-32.3	172.9	54.9	0	0	0	0	112.1	L110 R121 Q128 F214 G256 E258	L110-T126 HydrophobicContact CD1-CG2 4.15Å; R121-T126 PolarHBondContact NH1-O 2.84Å; R121-T126 VanDerWaalsContact NH1-O 3.14Å; T126-Q128 VanDerWaalsContact C-N 3.31Å; T126-Q128 WeakPolarHBondContact OG1-CB 3.41Å; T126-Q128 PolarHBondContact OG1-N 3.28Å; T126-Q128 PolarHBondContact OG1-O 3.28Å; T126-F214 HydrophobicContact CG2-CB 4.47Å; T126-F214 HydrophobicContact CG2-CD1 3.25Å; T126-F214 HydrophobicContact CG2-CD2 3.82Å; T126-F214 HydrophobicContact CG2-CE1 3.2Å; T126-F214 HydrophobicContact CG2-CE2 3.77Å; T126-F214 HydrophobicContact CG2-CG 3.57Å; T126-F214 HydrophobicContact CG2-CZ 3.47Å; T126-F214 VanDerWaalsContact CG2-CZ 3.47Å; T126-G256 PolarHBondContact N-O 2.81Å; T126-G256 PolarHBondContact OG1-O 3.27Å; T126-G256 VanDerWaalsContact OG1-O 3.06Å; T126-E258 VanDerWaalsContact CA-OE1 3.25Å; T126-E258 WeakPolarHBondContact CA-OE1 3.43Å; T126-E258 HydrophobicContact CG2-CG 3.34Å
127	G	65.3	Low	67.1	Low	67 Å²	67	86.5 Å²	86.5	69%	0.691	42%	0.415	S	S	*	.	S	Bend	trans	89.7	-2.3	-165.7	0	0	0	0	0	112.8	L125	L125-G127 PolarHBondContact O-N 3.07Å
128	Q	74.9	Confident	70.1	Confident	94 Å²	94	81 Å²	81	44%	0.439	38%	0.377	S	S	.	.			trans	-89.9	138.4	169.5	-60.2	179.8	95.3	0	0	109	T126 F214	T126-Q128 VanDerWaalsContact C-N 3.31Å; T126-Q128 WeakPolarHBondContact OG1-CB 3.41Å; T126-Q128 PolarHBondContact OG1-N 3.28Å; T126-Q128 PolarHBondContact OG1-O 3.28Å; Q128-F214 HydrophobicContact CB-CB 4.48Å
129	K	88.6	Confident	73.1	Confident	96 Å²	96	77 Å²	77	42%	0.417	35%	0.351	S	S	.	.			trans	-152.1	153	178.7	70.9	170.1	-171	168.2	0	110.5	Q131 I292 Y293	K129-Q131 PolarHBondContact O-NE2 3.49Å; K129-I292 HydrophobicContact CB-CG2 3.43Å; K129-I292 VanDerWaalsContact CB-CG2 3.43Å; K129-I292 HydrophobicContact CD-CG2 4.1Å; K129-I292 HydrophobicContact CG-CG2 4.4Å; K129-Y293 HydrophobicContact CB-CE1 4.2Å
130	W	92.1	Very high	75.9	Confident	21 Å²	21	70.7 Å²	70.7	8%	0.08	33%	0.33	C	S	.	.			trans	-64	135.8	167.1	-63.6	109.9	0	0	0	110.4	H132 I135 D186 I187 P215 G220 A254 Y293	W130-H132 AromaticContact CE3-CE1 3.56Å; W130-I135 HydrophobicContact CB-CD1 4.11Å; W130-I135 HydrophobicContact CB-CG1 4.45Å; W130-I135 VanDerWaalsContact CD1-CD1 3.46Å; W130-I135 HydrophobicContact CG-CD1 3.8Å; W130-I135 HydrophobicContact CG-CG1 4.26Å; W130-D186 HydrophobicContact CH2-CB 3.82Å; W130-D186 VanDerWaalsContact CH2-O 3.27Å; W130-D186 WeakPolarHBondContact CH2-O 3.36Å; W130-D186 HydrophobicContact CZ2-CB 4.14Å; W130-D186 WeakPolarHBondContact CZ2-O 3.26Å; W130-D186 HydrophobicContact CZ3-CB 4.09Å; W130-I187 HydrophobicContact CZ2-CG1 4.26Å; W130-P215 HydrophobicContact CD2-CB 3.92Å; W130-P215 HydrophobicContact CE3-CB 4.49Å; W130-P215 HydrophobicContact CG-CB 4.13Å; W130-P215 HydrophobicContact CZ2-CB 4.22Å; W130-G220 WeakPolarHBondContact CH2-O 3.25Å; W130-A254 PolarHBondContact NE1-O 3.08Å; W130-Y293 HydrophobicContact CB-CE1 4.16Å; W130-Y293 PolarHBondContact N-OH 3.09Å; W130-Y293 VanDerWaalsContact N-OH 3.1Å
131	Q	90.1	Very high	78.5	Confident	159 Å²	159	66.3 Å²	66.3	74%	0.743	32%	0.315	S	S	*	.	S	Bend	trans	-84.7	-22.9	-180	-59.3	-55.3	-37.3	0	0	111.9	K129	K129-Q131 PolarHBondContact O-NE2 3.49Å
132	H	90.9	Very high	80.9	Confident	77 Å²	77	61.9 Å²	61.9	36%	0.356	30%	0.303	S	S	.	.	S	Bend	trans	-104.6	153.3	176.2	52.9	-61.2	0	0	0	110.6	W130 H134 D186	W130-H132 AromaticContact CE3-CE1 3.56Å; H132-H134 PolarHBondContact CD2-O 2.81Å; H132-D186 IonicContact CE1-OD1 3.3Å; H132-D186 PolarHBondContact CE1-OD1 3.03Å; H132-D186 VanDerWaalsContact NE2-CG 3.26Å; H132-D186 IonicContact NE2-OD1 3.43Å; H132-D186 PolarHBondContact NE2-OD1 3.49Å; H132-D186 IonicContact NE2-OD2 2.72Å; H132-D186 PolarHBondContact NE2-OD2 2.92Å
133	K	92.1	Very high	83.4	Confident	109 Å²	109	52 Å²	52	47%	0.474	27%	0.266	S	S	.	.	S	Bend	trans	-90.2	-18.6	-179.9	-69.2	-177.1	172	-172.3	0	113.3	P167 L168 R169 D297	K133-P167 HydrophobicContact CD-CB 4.16Å; K133-P167 HydrophobicContact CD-CG 4.4Å; K133-L168 HydrophobicContact CB-CD2 4.35Å; K133-L168 CarbonylContact O-C 3.56Å; K133-L168 VanDerWaalsContact O-CA 3.3Å; K133-L168 WeakPolarHBondContact O-CA 3.4Å; K133-R169 PolarHBondContact O-N 3.27Å; K133-D297 IonicContact NZ-OD2 3.47Å; K133-D297 PolarHBondContact NZ-OD2 3.21Å
134	H	95.8	Very high	85.4	Confident	94 Å²	94	56.1 Å²	56.1	44%	0.435	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	100.4	-177.9	-177.8	-156.8	0	0	0	109.4	H132 R169 E171	H132-H134 PolarHBondContact CD2-O 2.81Å; H134-R169 CarbonylContact C-O 3.51Å; H134-R169 WeakPolarHBondContact CA-O 3.23Å; H134-E171 IonicContact CE1-OE2 3.02Å; H134-E171 PolarHBondContact CE1-OE2 3.28Å; H134-E171 VanDerWaalsContact NE2-CB 3.33Å; H134-E171 WeakPolarHBondContact NE2-CB 3.17Å; H134-E171 IonicContact NE2-OE2 3.17Å; H134-E171 PolarHBondContact NE2-OE2 3.4Å
135	I	96.1	Very high	87.2	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	129.9	-173.2	-60.8	171.9	0	0	0	108.2	W130 L168 R169 F170 E171 D186 I187 L255	W130-I135 HydrophobicContact CB-CD1 4.11Å; W130-I135 HydrophobicContact CB-CG1 4.45Å; W130-I135 VanDerWaalsContact CD1-CD1 3.46Å; W130-I135 HydrophobicContact CG-CD1 3.8Å; W130-I135 HydrophobicContact CG-CG1 4.26Å; I135-L168 HydrophobicContact CD1-CD1 3.91Å; I135-L168 HydrophobicContact CD1-CD2 3.97Å; I135-L168 HydrophobicContact CD1-CG 4.38Å; I135-R169 PolarHBondContact N-O 3.47Å; I135-F170 HydrophobicContact CB-CD1 3.78Å; I135-F170 HydrophobicContact CB-CE1 3.9Å; I135-F170 HydrophobicContact CD1-CD1 4.49Å; I135-F170 HydrophobicContact CD1-CE1 3.74Å; I135-F170 HydrophobicContact CD1-CZ 4.38Å; I135-F170 HydrophobicContact CG1-CE1 4.38Å; I135-F170 HydrophobicContact CG2-CD1 3.98Å; I135-F170 HydrophobicContact CG2-CE1 4.04Å; I135-F170 VanDerWaalsContact O-CA 3.29Å; I135-F170 WeakPolarHBondContact O-CA 3.4Å; I135-E171 PolarHBondContact O-N 2.8Å; I135-D186 WeakPolarHBondContact CA-OD2 3.32Å; I135-D186 HydrophobicContact CG2-CB 3.74Å; I135-I187 HydrophobicContact CG2-CD1 3.85Å; I135-I187 HydrophobicContact CG2-CG1 4.25Å; I135-L255 HydrophobicContact CD1-CD2 3.79Å
136	T	95.4	Very high	88.9	Confident	21 Å²	21	59.8 Å²	59.8	13%	0.129	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	140.5	177.3	54.2	0	0	0	0	110.4	E171 V173 D186 I187	T136-E171 WeakPolarHBondContact CA-O 3.17Å; T136-E171 HydrophobicContact CG2-CB 4.43Å; T136-V173 HydrophobicContact CG2-CG2 4.38Å; T136-D186 PolarHBondContact N-OD2 2.69Å; T136-D186 WeakPolarHBondContact O-CB 3.15Å; T136-D186 PolarHBondContact O-N 3.33Å; T136-D186 PolarHBondContact OG1-N 2.97Å; T136-D186 PolarHBondContact OG1-OD2 2.83Å; T136-D186 VanDerWaalsContact OG1-OD2 3.04Å; T136-I187 PolarHBondContact O-N 3.3Å; T136-I187 VanDerWaalsContact O-N 3.09Å
137	Y	96.6	Very high	90.6	Very high	16 Å²	16	59.7 Å²	59.7	6%	0.063	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	156	176.6	77.3	-87.2	0	0	0	112	I139 I155 F159 F170 E171 A172 V173 I187 I189	Y137-I139 HydrophobicContact CD2-CG1 4.5Å; Y137-I139 HydrophobicContact CE2-CD1 4.38Å; Y137-I139 HydrophobicContact CE2-CG1 4.33Å; Y137-I155 HydrophobicContact CE2-CG2 4.1Å; Y137-F159 HydrophobicContact CD1-CD1 4.47Å; Y137-F159 AromaticContact CD1-CD2 3.94Å; Y137-F159 HydrophobicContact CD1-CD2 3.94Å; Y137-F159 HydrophobicContact CD1-CE1 4.19Å; Y137-F159 AromaticContact CD1-CE2 3.64Å; Y137-F159 HydrophobicContact CD1-CE2 3.64Å; Y137-F159 HydrophobicContact CD1-CG 4.35Å; Y137-F159 AromaticContact CD1-CZ 3.76Å; Y137-F159 HydrophobicContact CD1-CZ 3.76Å; Y137-F159 HydrophobicContact CD2-CD2 4.1Å; Y137-F159 AromaticContact CD2-CE2 3.33Å; Y137-F159 HydrophobicContact CD2-CE2 3.33Å; Y137-F159 AromaticContact CD2-CZ 3.85Å; Y137-F159 HydrophobicContact CD2-CZ 3.85Å; Y137-F159 AromaticContact CE1-CD2 3.63Å; Y137-F159 HydrophobicContact CE1-CD2 3.63Å; Y137-F159 AromaticContact CE1-CE2 3.77Å; Y137-F159 HydrophobicContact CE1-CE2 3.77Å; Y137-F159 HydrophobicContact CE1-CG 4.09Å; Y137-F159 HydrophobicContact CE1-CZ 4.32Å; Y137-F159 AromaticContact CE2-CD2 3.81Å; Y137-F159 HydrophobicContact CE2-CD2 3.81Å; Y137-F159 AromaticContact CE2-CE2 3.47Å; Y137-F159 HydrophobicContact CE2-CE2 3.47Å; Y137-F159 VanDerWaalsContact CE2-CE2 3.47Å; Y137-F159 HydrophobicContact CE2-CZ 4.4Å; Y137-F159 HydrophobicContact CG-CD2 4.15Å; Y137-F159 HydrophobicContact CG-CE1 4.3Å; Y137-F159 AromaticContact CG-CE2 3.4Å; Y137-F159 HydrophobicContact CG-CE2 3.4Å; Y137-F159 AromaticContact CG-CZ 3.48Å; Y137-F159 HydrophobicContact CG-CZ 3.48Å; Y137-F159 VanDerWaalsContact CG-CZ 3.48Å; Y137-F159 AromaticContact CZ-CD2 3.54Å; Y137-F159 AromaticContact CZ-CE2 3.67Å; Y137-F170 HydrophobicContact CD1-CB 4.23Å; Y137-F170 HydrophobicContact CE1-CB 4.18Å; Y137-E171 WeakPolarHBondContact CD1-O 3.44Å; Y137-E171 PolarHBondContact N-O 3.03Å; Y137-A172 HydrophobicContact CD1-CB 4.48Å; Y137-A172 HydrophobicContact CE1-CB 3.75Å; Y137-A172 HydrophobicContact CE2-CB 4.01Å; Y137-A172 VanDerWaalsContact CZ-CB 3.49Å; Y137-V173 PolarHBondContact O-N 2.99Å; Y137-I187 CarbonylContact C-O 3.56Å; Y137-I187 WeakPolarHBondContact CA-O 3.39Å; Y137-I187 WeakPolarHBondContact CB-O 3.39Å; Y137-I189 HydrophobicContact CD2-CD1 4.26Å
138	S	95.2	Very high	91.9	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.007	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	143.6	176	-163.5	0	0	0	0	111.5	V173 Y175 L178 I187 I189	S138-V173 VanDerWaalsContact CB-O 3.27Å; S138-V173 WeakPolarHBondContact CB-O 3.36Å; S138-V173 PolarHBondContact OG-O 2.9Å; S138-Y175 VanDerWaalsContact OG-CA 3.32Å; S138-Y175 WeakPolarHBondContact OG-CA 3.3Å; S138-Y175 PolarHBondContact OG-N 3.49Å; S138-L178 VanDerWaalsContact CB-CD1 3.48Å; S138-I187 PolarHBondContact N-O 3.04Å; S138-I189 PolarHBondContact O-N 3.16Å
139	I	95.8	Very high	92.8	Very high	20 Å²	20	60.5 Å²	60.5	10%	0.103	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	110.9	177	-58.4	169.3	0	0	0	107.2	Y137 N141 V142 I155 I189	Y137-I139 HydrophobicContact CD2-CG1 4.5Å; Y137-I139 HydrophobicContact CE2-CD1 4.38Å; Y137-I139 HydrophobicContact CE2-CG1 4.33Å; I139-N141 WeakPolarHBondContact CG2-O 3.29Å; I139-V142 HydrophobicContact CG2-CG1 4.09Å; I139-I155 HydrophobicContact CD1-CB 4.04Å; I139-I155 HydrophobicContact CD1-CG1 4.28Å; I139-I155 HydrophobicContact CD1-CG2 3.89Å; I139-I155 HydrophobicContact CG1-CG2 4.31Å; I139-I189 HydrophobicContact CG1-CB 4.27Å; I139-I189 HydrophobicContact CG1-CD1 4.34Å
140	K	91.7	Very high	93	Very high	101 Å²	101	60.5 Å²	60.5	44%	0.439	31%	0.313	S	S	.	.			trans	-71.7	-43	-176.6	178.5	171.7	-177.7	179.5	0	112.3	Y175 T188 I189 I190	K140-Y175 HydrophobicContact CB-CD2 3.91Å; K140-Y175 HydrophobicContact CB-CE2 3.82Å; K140-Y175 HydrophobicContact CB-CG 4.45Å; K140-Y175 HydrophobicContact CD-CE2 4.03Å; K140-Y175 WeakPolarHBondContact CE-OH 3.37Å; K140-Y175 HydrophobicContact CG-CD1 4.48Å; K140-Y175 HydrophobicContact CG-CD2 4.15Å; K140-Y175 HydrophobicContact CG-CE1 4.05Å; K140-Y175 HydrophobicContact CG-CE2 3.68Å; K140-T188 HydrophobicContact CB-CG2 4.35Å; K140-I189 WeakPolarHBondContact CB-O 3.45Å; K140-I189 PolarHBondContact N-O 3.12Å; K140-I190 HydrophobicContact CB-CG1 4.09Å; K140-I190 HydrophobicContact CD-CD1 3.92Å; K140-I190 HydrophobicContact CD-CG1 3.99Å; K140-I190 HydrophobicContact CD-CG2 4.35Å
141	N	92.4	Very high	93.2	Very high	64 Å²	64	59.5 Å²	59.5	34%	0.342	31%	0.309	S	S	.	.			trans	-150.2	168.2	178	63.8	-33.6	0	0	0	110	I139 F191	I139-N141 WeakPolarHBondContact CG2-O 3.29Å; N141-F191 PolarHBondContact ND2-O 3.28Å; N141-F191 WeakPolarHBondContact O-CD2 3.27Å; N141-F191 PolarHBondContact OD1-N 3.19Å; N141-F191 PolarHBondContact OD1-O 3.01Å
142	V	93.1	Very high	93.4	Very high	46 Å²	46	56 Å²	56	28%	0.279	29%	0.293	S	S	.	.			trans	-124.7	158	-176.2	-64.2	0	0	0	0	110.5	I139 A148 T151 H152	I139-V142 HydrophobicContact CG2-CG1 4.09Å; V142-A148 HydrophobicContact CG2-CB 3.9Å; V142-T151 HydrophobicContact CB-CG2 3.97Å; V142-T151 HydrophobicContact CG1-CG2 3.81Å; V142-H152 VanDerWaalsContact CG1-CE1 3.46Å; V142-H152 WeakPolarHBondContact CG1-CE1 3.27Å
143	T	90.9	Very high	93.6	Very high	1 Å²	1	55 Å²	55	1%	0.006	29%	0.29	C	S	.	.			trans	-83.7	130.1	174.8	169.6	0	0	0	0	111	K145 V146 G147 F191 W231 L243	T143-K145 PolarHBondContact O-N 2.97Å; T143-K145 PolarHBondContact OG1-N 2.87Å; T143-V146 HydrophobicContact CG2-CG2 3.53Å; T143-G147 PolarHBondContact O-N 3.3Å; T143-F191 HydrophobicContact CG2-CD1 3.97Å; T143-F191 HydrophobicContact CG2-CE1 3.57Å; T143-F191 HydrophobicContact CG2-CZ 4.03Å; T143-W231 HydrophobicContact CG2-CB 4.44Å; T143-W231 HydrophobicContact CG2-CG 4.41Å; T143-L243 HydrophobicContact CG2-CD2 4.08Å
144	P	91	Very high	93.7	Very high	123 Å²	123	49.9 Å²	49.9	80%	0.799	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-14.5	177.2	29.9	-35	0	0	0	112.9
145	K	90.8	Very high	93.8	Very high	99 Å²	99	45.4 Å²	45.4	43%	0.43	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-35.7	-175.4	-70	169.8	171.4	160	0	112.9	T143 S227 D228 E229 W231	T143-K145 PolarHBondContact O-N 2.97Å; T143-K145 PolarHBondContact OG1-N 2.87Å; K145-S227 PolarHBondContact NZ-O 3.11Å; K145-D228 PolarHBondContact NZ-O 3.38Å; K145-E229 WeakPolarHBondContact CD-O 3.4Å; K145-E229 WeakPolarHBondContact CE-O 3.47Å; K145-E229 VanDerWaalsContact NZ-C 3.32Å; K145-E229 PolarHBondContact NZ-O 3.48Å; K145-W231 HydrophobicContact CB-CB 4.28Å
146	V	91.2	Very high	93.8	Very high	25 Å²	25	50.5 Å²	50.5	15%	0.152	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-20.5	175.9	-63.3	0	0	0	0	113.4	T143 E150 T151 W231 L233 L243	T143-V146 HydrophobicContact CG2-CG2 3.53Å; V146-E150 WeakPolarHBondContact O-CB 3.48Å; V146-T151 VanDerWaalsContact CG2-OG1 3.25Å; V146-T151 WeakPolarHBondContact CG2-OG1 3.49Å; V146-W231 HydrophobicContact CG1-CB 4.11Å; V146-W231 WeakPolarHBondContact CG1-O 3.42Å; V146-L233 HydrophobicContact CB-CD1 4.05Å; V146-L233 HydrophobicContact CB-CG 4.4Å; V146-L233 HydrophobicContact CG1-CD1 4.3Å; V146-L233 HydrophobicContact CG1-CG 4.09Å; V146-L233 HydrophobicContact CG2-CD1 4.38Å; V146-L243 HydrophobicContact CG2-CD2 3.91Å
147	G	92.4	Very high	93.9	Very high	19 Å²	19	53.4 Å²	53.4	20%	0.196	28%	0.275	C	S	.	.			trans	101.3	157.8	-176.6	0	0	0	0	0	112.9	T143 E150 T151	T143-G147 PolarHBondContact O-N 3.3Å; G147-E150 WeakPolarHBondContact CA-OE2 3.32Å; G147-T151 VanDerWaalsContact O-CB 3.26Å; G147-T151 WeakPolarHBondContact O-CB 3.32Å; G147-T151 PolarHBondContact O-N 3.21Å; G147-T151 PolarHBondContact O-OG1 3.14Å
148	A	92.5	Very high	93.9	Very high	46 Å²	46	52.6 Å²	52.6	38%	0.38	27%	0.272	S	S	.	.	H	α-helix	trans	-67.8	-49.7	-174.8	0	0	0	0	0	111.7	V142 E150 T151 H152	V142-A148 HydrophobicContact CG2-CB 3.9Å; A148-E150 PolarHBondContact O-N 3.47Å; A148-T151 WeakPolarHBondContact O-CB 3.3Å; A148-T151 PolarHBondContact O-N 2.92Å; A148-H152 PolarHBondContact O-N 3.14Å; A148-H152 PolarHBondContact O-ND1 2.83Å
149	D	93.5	Very high	94	Very high	132 Å²	132	52.7 Å²	52.7	71%	0.706	27%	0.272	S	S	*	.	H	α-helix	trans	-65.5	-42.5	-175.9	-66.9	-25.9	0	0	0	110.9	H152 D153	D149-H152 PolarHBondContact O-N 3.5Å; D149-D153 PolarHBondContact O-N 3.03Å
150	E	93.9	Very high	94	Very high	96 Å²	96	54.5 Å²	54.5	45%	0.449	28%	0.281	S	S	.	.	H	α-helix	trans	-67	-38.1	177.9	-62.6	81.5	-179.7	0	0	112	V146 G147 A148 D153 A154 L233	V146-E150 WeakPolarHBondContact O-CB 3.48Å; G147-E150 WeakPolarHBondContact CA-OE2 3.32Å; A148-E150 PolarHBondContact O-N 3.47Å; E150-D153 PolarHBondContact O-N 2.9Å; E150-A154 VanDerWaalsContact O-CB 3.26Å; E150-A154 WeakPolarHBondContact O-CB 3.34Å; E150-A154 PolarHBondContact O-N 2.88Å; E150-L233 HydrophobicContact CB-CD1 3.64Å
151	T	94.9	Very high	94.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.9	-50.4	171.7	-63	0	0	0	0	110.5	V142 V146 G147 A148 D153 A154 I155 F191 L243	V142-T151 HydrophobicContact CB-CG2 3.97Å; V142-T151 HydrophobicContact CG1-CG2 3.81Å; V146-T151 VanDerWaalsContact CG2-OG1 3.25Å; V146-T151 WeakPolarHBondContact CG2-OG1 3.49Å; G147-T151 VanDerWaalsContact O-CB 3.26Å; G147-T151 WeakPolarHBondContact O-CB 3.32Å; G147-T151 PolarHBondContact O-N 3.21Å; G147-T151 PolarHBondContact O-OG1 3.14Å; A148-T151 WeakPolarHBondContact O-CB 3.3Å; A148-T151 PolarHBondContact O-N 2.92Å; T151-D153 VanDerWaalsContact C-N 3.34Å; T151-D153 PolarHBondContact O-N 3.16Å; T151-A154 PolarHBondContact O-N 3.33Å; T151-I155 HydrophobicContact CG2-CG1 4.45Å; T151-I155 WeakPolarHBondContact O-CG1 3.21Å; T151-I155 PolarHBondContact O-N 2.84Å; T151-F191 HydrophobicContact CG2-CE2 3.84Å; T151-F191 HydrophobicContact CG2-CZ 3.82Å; T151-L243 HydrophobicContact CG2-CD2 4.1Å
152	H	94.8	Very high	94.5	Very high	87 Å²	87	47.6 Å²	47.6	40%	0.403	25%	0.25	S	S	.	.	H	α-helix	trans	-61.1	-43.4	-179.8	-75.2	85.7	0	0	0	111.6	V142 A148 D149 R156	V142-H152 VanDerWaalsContact CG1-CE1 3.46Å; V142-H152 WeakPolarHBondContact CG1-CE1 3.27Å; A148-H152 PolarHBondContact O-N 3.14Å; A148-H152 PolarHBondContact O-ND1 2.83Å; D149-H152 PolarHBondContact O-N 3.5Å; H152-R156 VanDerWaalsContact O-CB 3.23Å; H152-R156 WeakPolarHBondContact O-CB 3.28Å; H152-R156 PolarHBondContact O-N 3.39Å
153	D	95	Very high	94.6	Very high	56 Å²	56	47.3 Å²	47.3	30%	0.299	25%	0.246	S	C	.	.	H	α-helix	trans	-66.6	-42.8	178.7	-167.4	54.7	0	0	0	111.9	D149 E150 T151 I155 R156 R157	D149-D153 PolarHBondContact O-N 3.03Å; E150-D153 PolarHBondContact O-N 2.9Å; T151-D153 VanDerWaalsContact C-N 3.34Å; T151-D153 PolarHBondContact O-N 3.16Å; D153-I155 PolarHBondContact O-N 2.89Å; D153-R156 PolarHBondContact O-N 2.86Å; D153-R156 IonicContact OD1-CZ 2.76Å; D153-R156 IonicContact OD1-NE 2.87Å; D153-R156 PolarHBondContact OD1-NE 3.47Å; D153-R156 IonicContact OD1-NH2 3.81Å; D153-R156 PolarHBondContact OD1-NH2 2.71Å; D153-R157 WeakPolarHBondContact O-CB 3.32Å; D153-R157 VanDerWaalsContact O-CG 3.28Å; D153-R157 WeakPolarHBondContact O-CG 3.11Å; D153-R157 PolarHBondContact O-N 2.72Å; D153-R157 IonicContact OD2-CZ 2.63Å; D153-R157 IonicContact OD2-NH1 2.7Å; D153-R157 PolarHBondContact OD2-NH1 3.06Å
154	A	95.8	Very high	94.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.9	-48.1	176.7	0	0	0	0	0	112.3	E150 T151 R157 A158 L233 L243 F244	E150-A154 VanDerWaalsContact O-CB 3.26Å; E150-A154 WeakPolarHBondContact O-CB 3.34Å; E150-A154 PolarHBondContact O-N 2.88Å; T151-A154 PolarHBondContact O-N 3.33Å; A154-R157 PolarHBondContact O-N 3.17Å; A154-A158 PolarHBondContact O-N 3.28Å; A154-L233 HydrophobicContact CB-CD1 4.19Å; A154-L233 HydrophobicContact CB-CD2 3.7Å; A154-L243 HydrophobicContact CB-CD2 4.39Å; A154-L243 HydrophobicContact CB-CG 4.49Å; A154-F244 HydrophobicContact CB-CB 4.21Å
155	I	97.3	Very high	95	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.4	-44	177.1	-64.9	-55.8	0	0	0	111.1	Y137 I139 T151 D153 R157 A158 F159 I189 F225 A247	Y137-I155 HydrophobicContact CE2-CG2 4.1Å; I139-I155 HydrophobicContact CD1-CB 4.04Å; I139-I155 HydrophobicContact CD1-CG1 4.28Å; I139-I155 HydrophobicContact CD1-CG2 3.89Å; I139-I155 HydrophobicContact CG1-CG2 4.31Å; T151-I155 HydrophobicContact CG2-CG1 4.45Å; T151-I155 WeakPolarHBondContact O-CG1 3.21Å; T151-I155 PolarHBondContact O-N 2.84Å; D153-I155 PolarHBondContact O-N 2.89Å; I155-R157 PolarHBondContact O-N 3.09Å; I155-A158 WeakPolarHBondContact O-CB 3.34Å; I155-A158 PolarHBondContact O-N 3.04Å; I155-A158 VanDerWaalsContact O-N 3.13Å; I155-F159 HydrophobicContact CG2-CD2 3.95Å; I155-F159 HydrophobicContact CG2-CE2 3.76Å; I155-F159 WeakPolarHBondContact O-CD2 3.23Å; I155-F159 PolarHBondContact O-N 3.33Å; I155-I189 HydrophobicContact CD1-CD1 4.45Å; I155-I189 HydrophobicContact CG2-CD1 3.37Å; I155-F225 HydrophobicContact CD1-CE2 4.14Å; I155-F225 HydrophobicContact CD1-CZ 4.03Å; I155-A247 HydrophobicContact CD1-CB 3.57Å
156	R	96.5	Very high	95.3	Very high	107 Å²	107	41.9 Å²	41.9	40%	0.404	22%	0.222	S	C	.	.	H	α-helix	trans	-60.3	-45.5	177.5	-172.7	-169.5	66	69.2	5.4	111.5	H152 D153 A158 F159 D160	H152-R156 VanDerWaalsContact O-CB 3.23Å; H152-R156 WeakPolarHBondContact O-CB 3.28Å; H152-R156 PolarHBondContact O-N 3.39Å; D153-R156 PolarHBondContact O-N 2.86Å; D153-R156 IonicContact OD1-CZ 2.76Å; D153-R156 IonicContact OD1-NE 2.87Å; D153-R156 PolarHBondContact OD1-NE 3.47Å; D153-R156 IonicContact OD1-NH2 3.81Å; D153-R156 PolarHBondContact OD1-NH2 2.71Å; R156-A158 VanDerWaalsContact C-N 3.28Å; R156-A158 PolarHBondContact O-N 2.93Å; R156-F159 PolarHBondContact O-N 2.64Å; R156-D160 IonicContact CZ-OD2 2.61Å; R156-D160 IonicContact NH1-OD2 3.35Å; R156-D160 PolarHBondContact NH1-OD2 2.91Å; R156-D160 PolarHBondContact O-N 2.8Å
157	R	96	Very high	95.5	Very high	82 Å²	82	41.4 Å²	41.4	31%	0.309	22%	0.219	S	C	.	.	H	α-helix	trans	-60.3	-38.3	174.5	-70.1	-170.2	-40.7	-109.8	4.3	111.4	D153 A154 I155 D160 V161 F244	D153-R157 WeakPolarHBondContact O-CB 3.32Å; D153-R157 VanDerWaalsContact O-CG 3.28Å; D153-R157 WeakPolarHBondContact O-CG 3.11Å; D153-R157 PolarHBondContact O-N 2.72Å; D153-R157 IonicContact OD2-CZ 2.63Å; D153-R157 IonicContact OD2-NH1 2.7Å; D153-R157 PolarHBondContact OD2-NH1 3.06Å; A154-R157 PolarHBondContact O-N 3.17Å; I155-R157 PolarHBondContact O-N 3.09Å; R157-D160 WeakPolarHBondContact O-CB 3.39Å; R157-D160 PolarHBondContact O-N 3.3Å; R157-V161 WeakPolarHBondContact O-CG2 3.27Å; R157-V161 PolarHBondContact O-N 2.81Å; R157-F244 HydrophobicContact CB-CD2 3.86Å; R157-F244 HydrophobicContact CB-CE2 3.71Å
158	A	97.6	Very high	95.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.1	-39.8	177.4	0	0	0	0	0	112.3	A154 I155 R156 V161 F244 A247 V248 L251	A154-A158 PolarHBondContact O-N 3.28Å; I155-A158 WeakPolarHBondContact O-CB 3.34Å; I155-A158 PolarHBondContact O-N 3.04Å; I155-A158 VanDerWaalsContact O-N 3.13Å; R156-A158 VanDerWaalsContact C-N 3.28Å; R156-A158 PolarHBondContact O-N 2.93Å; A158-V161 WeakPolarHBondContact O-CB 3.35Å; A158-V161 PolarHBondContact O-N 3.04Å; A158-F244 HydrophobicContact CB-CD2 4.28Å; A158-F244 HydrophobicContact CB-CE2 4.44Å; A158-A247 HydrophobicContact CB-CB 3.82Å; A158-V248 HydrophobicContact CB-CG2 3.69Å; A158-L251 HydrophobicContact CB-CD1 3.8Å
159	F	97.6	Very high	95.8	Very high	3 Å²	3	45.9 Å²	45.9	1%	0.013	22%	0.22	C	C	.	.	H	α-helix	trans	-64.7	-40.9	170.2	-80	-70.1	0	0	0	112.7	Y137 I155 R156 V161 W162 Q163 F170 I187 I189 L251	Y137-F159 HydrophobicContact CD1-CD1 4.47Å; Y137-F159 AromaticContact CD1-CD2 3.94Å; Y137-F159 HydrophobicContact CD1-CD2 3.94Å; Y137-F159 HydrophobicContact CD1-CE1 4.19Å; Y137-F159 AromaticContact CD1-CE2 3.64Å; Y137-F159 HydrophobicContact CD1-CE2 3.64Å; Y137-F159 HydrophobicContact CD1-CG 4.35Å; Y137-F159 AromaticContact CD1-CZ 3.76Å; Y137-F159 HydrophobicContact CD1-CZ 3.76Å; Y137-F159 HydrophobicContact CD2-CD2 4.1Å; Y137-F159 AromaticContact CD2-CE2 3.33Å; Y137-F159 HydrophobicContact CD2-CE2 3.33Å; Y137-F159 AromaticContact CD2-CZ 3.85Å; Y137-F159 HydrophobicContact CD2-CZ 3.85Å; Y137-F159 AromaticContact CE1-CD2 3.63Å; Y137-F159 HydrophobicContact CE1-CD2 3.63Å; Y137-F159 AromaticContact CE1-CE2 3.77Å; Y137-F159 HydrophobicContact CE1-CE2 3.77Å; Y137-F159 HydrophobicContact CE1-CG 4.09Å; Y137-F159 HydrophobicContact CE1-CZ 4.32Å; Y137-F159 AromaticContact CE2-CD2 3.81Å; Y137-F159 HydrophobicContact CE2-CD2 3.81Å; Y137-F159 AromaticContact CE2-CE2 3.47Å; Y137-F159 HydrophobicContact CE2-CE2 3.47Å; Y137-F159 VanDerWaalsContact CE2-CE2 3.47Å; Y137-F159 HydrophobicContact CE2-CZ 4.4Å; Y137-F159 HydrophobicContact CG-CD2 4.15Å; Y137-F159 HydrophobicContact CG-CE1 4.3Å; Y137-F159 AromaticContact CG-CE2 3.4Å; Y137-F159 HydrophobicContact CG-CE2 3.4Å; Y137-F159 AromaticContact CG-CZ 3.48Å; Y137-F159 HydrophobicContact CG-CZ 3.48Å; Y137-F159 VanDerWaalsContact CG-CZ 3.48Å; Y137-F159 AromaticContact CZ-CD2 3.54Å; Y137-F159 AromaticContact CZ-CE2 3.67Å; I155-F159 HydrophobicContact CG2-CD2 3.95Å; I155-F159 HydrophobicContact CG2-CE2 3.76Å; I155-F159 WeakPolarHBondContact O-CD2 3.23Å; I155-F159 PolarHBondContact O-N 3.33Å; R156-F159 PolarHBondContact O-N 2.64Å; F159-V161 VanDerWaalsContact C-N 3.26Å; F159-V161 PolarHBondContact O-N 3.32Å; F159-W162 PolarHBondContact O-N 3.24Å; F159-Q163 WeakPolarHBondContact O-CB 3.46Å; F159-Q163 PolarHBondContact O-N 2.74Å; F159-F170 HydrophobicContact CB-CB 4.21Å; F159-F170 HydrophobicContact CB-CD2 4.07Å; F159-F170 HydrophobicContact CB-CG 4.14Å; F159-F170 HydrophobicContact CD1-CB 3.96Å; F159-F170 AromaticContact CD1-CD1 3.32Å; F159-F170 HydrophobicContact CD1-CD1 3.32Å; F159-F170 AromaticContact CD1-CD2 3.86Å; F159-F170 HydrophobicContact CD1-CD2 3.86Å; F159-F170 AromaticContact CD1-CE1 3.68Å; F159-F170 HydrophobicContact CD1-CE1 3.68Å; F159-F170 HydrophobicContact CD1-CE2 4.19Å; F159-F170 AromaticContact CD1-CG 3.42Å; F159-F170 HydrophobicContact CD1-CG 3.42Å; F159-F170 VanDerWaalsContact CD1-CG 3.42Å; F159-F170 HydrophobicContact CD1-CZ 4.1Å; F159-F170 AromaticContact CE1-CD1 3.58Å; F159-F170 HydrophobicContact CE1-CD1 3.58Å; F159-F170 AromaticContact CE1-CE1 3.86Å; F159-F170 HydrophobicContact CE1-CE1 3.86Å; F159-F170 HydrophobicContact CE1-CG 4.13Å; F159-F170 HydrophobicContact CG-CB 4.22Å; F159-F170 HydrophobicContact CG-CD1 4.36Å; F159-F170 HydrophobicContact CG-CD2 4.41Å; F159-F170 HydrophobicContact CG-CG 4.08Å; F159-I187 HydrophobicContact CE1-CD1 4.06Å; F159-I187 HydrophobicContact CZ-CD1 4.37Å; F159-I187 HydrophobicContact CZ-CG2 4.31Å; F159-I189 HydrophobicContact CE2-CD1 3.84Å; F159-I189 HydrophobicContact CZ-CD1 4.22Å; F159-L251 HydrophobicContact CD1-CD1 3.91Å; F159-L251 HydrophobicContact CD1-CD2 4.48Å; F159-L251 HydrophobicContact CD2-CD1 3.89Å; F159-L251 HydrophobicContact CE1-CD1 3.91Å; F159-L251 HydrophobicContact CE1-CD2 3.66Å; F159-L251 HydrophobicContact CE1-CG 4.37Å; F159-L251 HydrophobicContact CE2-CD1 3.87Å; F159-L251 HydrophobicContact CE2-CD2 4.08Å; F159-L251 HydrophobicContact CG-CD1 3.91Å; F159-L251 HydrophobicContact CZ-CD1 3.89Å; F159-L251 HydrophobicContact CZ-CD2 3.43Å; F159-L251 VanDerWaalsContact CZ-CD2 3.43Å; F159-L251 HydrophobicContact CZ-CG 4.32Å
160	D	95.9	Very high	96	Very high	57 Å²	57	40.8 Å²	40.8	31%	0.305	19%	0.192	S	C	.	.	H	α-helix	trans	-59.9	-36.8	178.6	-77.3	-28.3	0	0	0	112.4	R156 R157 W162 Q163 S164	R156-D160 IonicContact CZ-OD2 2.61Å; R156-D160 IonicContact NH1-OD2 3.35Å; R156-D160 PolarHBondContact NH1-OD2 2.91Å; R156-D160 PolarHBondContact O-N 2.8Å; R157-D160 WeakPolarHBondContact O-CB 3.39Å; R157-D160 PolarHBondContact O-N 3.3Å; D160-W162 PolarHBondContact O-N 2.91Å; D160-Q163 PolarHBondContact O-N 3.02Å; D160-Q163 PolarHBondContact OD1-NE2 3.49Å; D160-S164 VanDerWaalsContact O-CB 3.31Å; D160-S164 WeakPolarHBondContact O-CB 3.23Å; D160-S164 PolarHBondContact O-N 2.68Å; D160-S164 PolarHBondContact O-OG 2.9Å
161	V	96.8	Very high	96.1	Very high	20 Å²	20	40.7 Å²	40.7	12%	0.121	19%	0.192	C	C	.	.	H	α-helix	trans	-54.4	-53.6	174.5	166.9	0	0	0	0	110.5	R157 A158 F159 S164 F244 V248 F279 L281	R157-V161 WeakPolarHBondContact O-CG2 3.27Å; R157-V161 PolarHBondContact O-N 2.81Å; A158-V161 WeakPolarHBondContact O-CB 3.35Å; A158-V161 PolarHBondContact O-N 3.04Å; F159-V161 VanDerWaalsContact C-N 3.26Å; F159-V161 PolarHBondContact O-N 3.32Å; V161-S164 PolarHBondContact O-OG 2.99Å; V161-F244 HydrophobicContact CG2-CE2 4.06Å; V161-F244 HydrophobicContact CG2-CZ 3.91Å; V161-V248 HydrophobicContact CB-CG2 4.47Å; V161-V248 HydrophobicContact CG1-CG1 4.1Å; V161-V248 HydrophobicContact CG2-CG2 4.29Å; V161-F279 HydrophobicContact CG1-CD1 4.19Å; V161-F279 HydrophobicContact CG1-CE1 3.82Å; V161-F279 HydrophobicContact CG2-CD1 3.84Å; V161-F279 HydrophobicContact CG2-CE1 4.21Å; V161-L281 HydrophobicContact CG1-CD1 3.71Å; V161-L281 HydrophobicContact CG1-CD2 3.72Å; V161-L281 HydrophobicContact CG1-CG 3.46Å; V161-L281 VanDerWaalsContact CG1-CG 3.46Å
162	W	97	Very high	96.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-70.8	-37.4	179.6	-64.6	115.5	0	0	0	112.8	F159 D160 S164 V165 T166 F170 V248 L255 L257 I266 M267 L281 D285 I289	F159-W162 PolarHBondContact O-N 3.24Å; D160-W162 PolarHBondContact O-N 2.91Å; W162-S164 VanDerWaalsContact C-N 3.3Å; W162-S164 PolarHBondContact O-N 2.7Å; W162-V165 WeakPolarHBondContact O-CG2 3.32Å; W162-V165 PolarHBondContact O-N 3.2Å; W162-T166 WeakPolarHBondContact O-CG2 3.46Å; W162-T166 PolarHBondContact O-N 3.38Å; W162-T166 PolarHBondContact O-OG1 3.02Å; W162-F170 HydrophobicContact CB-CE2 4.25Å; W162-F170 HydrophobicContact CB-CZ 4.45Å; W162-V248 HydrophobicContact CZ2-CG1 4.1Å; W162-V248 WeakPolarHBondContact CZ2-O 3.43Å; W162-V248 PolarHBondContact NE1-O 3.14Å; W162-L255 HydrophobicContact CB-CD1 3.7Å; W162-L255 HydrophobicContact CD2-CD1 3.98Å; W162-L255 HydrophobicContact CG-CD1 3.6Å; W162-L257 HydrophobicContact CH2-CD1 3.41Å; W162-L257 VanDerWaalsContact CH2-CD1 3.41Å; W162-L257 HydrophobicContact CZ2-CD1 4.22Å; W162-L257 HydrophobicContact CZ3-CD1 3.74Å; W162-I266 HydrophobicContact CH2-CG2 4.42Å; W162-I266 HydrophobicContact CZ2-CG2 4.41Å; W162-M267 HydrophobicContact CZ2-SD 4.34Å; W162-L281 HydrophobicContact CD2-CD1 4.35Å; W162-L281 HydrophobicContact CE3-CD1 3.66Å; W162-L281 HydrophobicContact CE3-CD2 4.28Å; W162-L281 HydrophobicContact CH2-CD1 4.44Å; W162-L281 HydrophobicContact CH2-CD2 3.68Å; W162-L281 HydrophobicContact CZ2-CD2 4.02Å; W162-L281 HydrophobicContact CZ3-CD1 3.7Å; W162-L281 HydrophobicContact CZ3-CD2 3.81Å; W162-L281 HydrophobicContact CZ3-CG 4.42Å; W162-D285 HydrophobicContact CH2-CB 4.13Å; W162-D285 HydrophobicContact CZ3-CB 4.48Å; W162-I289 HydrophobicContact CE3-CB 4Å; W162-I289 HydrophobicContact CE3-CD1 4.27Å; W162-I289 HydrophobicContact CE3-CG1 3.81Å; W162-I289 HydrophobicContact CE3-CG2 3.99Å; W162-I289 HydrophobicContact CZ3-CB 3.74Å; W162-I289 HydrophobicContact CZ3-CD1 4.4Å; W162-I289 HydrophobicContact CZ3-CG1 4.03Å; W162-I289 HydrophobicContact CZ3-CG2 3.85Å
163	Q	96.1	Very high	96	Very high	40 Å²	40	40.8 Å²	40.8	19%	0.187	20%	0.204	C	C	.	.	H	α-helix	trans	-60.7	-39.2	176.7	-172.1	164.6	-111.1	0	0	112.1	F159 D160 V165 T166 F170	F159-Q163 WeakPolarHBondContact O-CB 3.46Å; F159-Q163 PolarHBondContact O-N 2.74Å; D160-Q163 PolarHBondContact O-N 3.02Å; D160-Q163 PolarHBondContact OD1-NE2 3.49Å; Q163-V165 PolarHBondContact O-N 3.21Å; Q163-T166 VanDerWaalsContact O-O 3.07Å; Q163-F170 HydrophobicContact CB-CD2 3.86Å; Q163-F170 HydrophobicContact CB-CE2 3.99Å; Q163-F170 HydrophobicContact CG-CD2 4.36Å
164	S	94.9	Very high	95.9	Very high	82 Å²	82	41.3 Å²	41.3	57%	0.573	21%	0.211	S	C	*	.	H	α-helix	trans	-66.4	-21.5	-175.6	74.1	0	0	0	0	113.7	D160 V161 W162	D160-S164 VanDerWaalsContact O-CB 3.31Å; D160-S164 WeakPolarHBondContact O-CB 3.23Å; D160-S164 PolarHBondContact O-N 2.68Å; D160-S164 PolarHBondContact O-OG 2.9Å; V161-S164 PolarHBondContact O-OG 2.99Å; W162-S164 VanDerWaalsContact C-N 3.3Å; W162-S164 PolarHBondContact O-N 2.7Å
165	V	95.2	Very high	95.5	Very high	25 Å²	25	44.4 Å²	44.4	15%	0.152	22%	0.223	C	C	.	.	H	α-helix	trans	-116.4	3.5	-173.8	-57.6	0	0	0	0	114.3	W162 Q163 L281 L286 I289 Q290 P296	W162-V165 WeakPolarHBondContact O-CG2 3.32Å; W162-V165 PolarHBondContact O-N 3.2Å; Q163-V165 PolarHBondContact O-N 3.21Å; V165-L281 HydrophobicContact CG1-CD1 4.29Å; V165-L281 HydrophobicContact CG2-CD1 3.52Å; V165-L286 HydrophobicContact CB-CD1 3.51Å; V165-L286 HydrophobicContact CG1-CD1 3.62Å; V165-L286 HydrophobicContact CG2-CD1 3.98Å; V165-I289 HydrophobicContact CG2-CG2 3.95Å; V165-Q290 WeakPolarHBondContact O-CG 3.4Å; V165-Q290 PolarHBondContact O-NE2 3.11Å; V165-P296 WeakPolarHBondContact O-CD 3.36Å
166	T	95.9	Very high	95	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.018	25%	0.249	C	C	.	.	S	Bend	trans	-132.1	166.7	179.5	62.9	0	0	0	0	110.9	W162 Q163 L168 I289	W162-T166 WeakPolarHBondContact O-CG2 3.46Å; W162-T166 PolarHBondContact O-N 3.38Å; W162-T166 PolarHBondContact O-OG1 3.02Å; Q163-T166 VanDerWaalsContact O-O 3.07Å; T166-L168 PolarHBondContact O-N 2.77Å; T166-L168 WeakPolarHBondContact OG1-CB 3.28Å; T166-L168 PolarHBondContact OG1-N 3.17Å; T166-I289 HydrophobicContact CG2-CB 4.36Å; T166-I289 HydrophobicContact CG2-CG1 3.5Å; T166-I289 HydrophobicContact CG2-CG2 3.97Å
167	P	95.1	Very high	94.6	Very high	14 Å²	14	47.5 Å²	47.5	9%	0.091	25%	0.251	C	S	.	.	S	Bend	trans	-81.1	8.1	168.9	35	-38	0	0	0	113	K133 Y293 G294	K133-P167 HydrophobicContact CD-CB 4.16Å; K133-P167 HydrophobicContact CD-CG 4.4Å; P167-Y293 WeakPolarHBondContact CD-O 3.33Å; P167-Y293 WeakPolarHBondContact CG-O 3.36Å; P167-G294 VanDerWaalsContact CD-O 3.22Å; P167-G294 WeakPolarHBondContact CD-O 3.42Å
168	L	95.8	Very high	94.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.241	C	C	.	.			trans	-72.3	154.4	179.3	-61.2	176.7	0	0	0	110.8	K133 I135 T166 F170 L255 Y293	K133-L168 HydrophobicContact CB-CD2 4.35Å; K133-L168 CarbonylContact O-C 3.56Å; K133-L168 VanDerWaalsContact O-CA 3.3Å; K133-L168 WeakPolarHBondContact O-CA 3.4Å; I135-L168 HydrophobicContact CD1-CD1 3.91Å; I135-L168 HydrophobicContact CD1-CD2 3.97Å; I135-L168 HydrophobicContact CD1-CG 4.38Å; T166-L168 PolarHBondContact O-N 2.77Å; T166-L168 WeakPolarHBondContact OG1-CB 3.28Å; T166-L168 PolarHBondContact OG1-N 3.17Å; L168-F170 HydrophobicContact CB-CE2 4.14Å; L168-F170 HydrophobicContact CB-CZ 4.03Å; L168-F170 HydrophobicContact CD1-CZ 4.01Å; L168-L255 HydrophobicContact CD1-CD2 3.72Å; L168-Y293 HydrophobicContact CD1-CD1 4.07Å; L168-Y293 HydrophobicContact CD1-CD2 3.75Å; L168-Y293 HydrophobicContact CD1-CE1 4.18Å; L168-Y293 HydrophobicContact CD1-CE2 3.87Å; L168-Y293 HydrophobicContact CD1-CG 3.87Å; L168-Y293 HydrophobicContact CD2-CD1 3.67Å; L168-Y293 HydrophobicContact CD2-CE1 3.97Å; L168-Y293 HydrophobicContact CD2-CG 4.12Å; L168-Y293 HydrophobicContact CG-CD1 4.11Å; L168-Y293 HydrophobicContact CG-CD2 4.42Å; L168-Y293 HydrophobicContact CG-CG 4.05Å
169	R	95.8	Very high	93.5	Very high	159 Å²	159	50.9 Å²	50.9	60%	0.6	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	132.4	173.4	-65.2	-62.6	-179.2	-176.6	-2.5	108.7	K133 H134 I135	K133-R169 PolarHBondContact O-N 3.27Å; H134-R169 CarbonylContact C-O 3.51Å; H134-R169 WeakPolarHBondContact CA-O 3.23Å; I135-R169 PolarHBondContact N-O 3.47Å
170	F	97.1	Very high	92.8	Very high	26 Å²	26	60 Å²	60	11%	0.114	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128.9	179	-58.2	-78.4	0	0	0	110.5	I135 Y137 F159 W162 Q163 L168 L255	I135-F170 HydrophobicContact CB-CD1 3.78Å; I135-F170 HydrophobicContact CB-CE1 3.9Å; I135-F170 HydrophobicContact CD1-CD1 4.49Å; I135-F170 HydrophobicContact CD1-CE1 3.74Å; I135-F170 HydrophobicContact CD1-CZ 4.38Å; I135-F170 HydrophobicContact CG1-CE1 4.38Å; I135-F170 HydrophobicContact CG2-CD1 3.98Å; I135-F170 HydrophobicContact CG2-CE1 4.04Å; I135-F170 VanDerWaalsContact O-CA 3.29Å; I135-F170 WeakPolarHBondContact O-CA 3.4Å; Y137-F170 HydrophobicContact CD1-CB 4.23Å; Y137-F170 HydrophobicContact CE1-CB 4.18Å; F159-F170 HydrophobicContact CB-CB 4.21Å; F159-F170 HydrophobicContact CB-CD2 4.07Å; F159-F170 HydrophobicContact CB-CG 4.14Å; F159-F170 HydrophobicContact CD1-CB 3.96Å; F159-F170 AromaticContact CD1-CD1 3.32Å; F159-F170 HydrophobicContact CD1-CD1 3.32Å; F159-F170 AromaticContact CD1-CD2 3.86Å; F159-F170 HydrophobicContact CD1-CD2 3.86Å; F159-F170 AromaticContact CD1-CE1 3.68Å; F159-F170 HydrophobicContact CD1-CE1 3.68Å; F159-F170 HydrophobicContact CD1-CE2 4.19Å; F159-F170 AromaticContact CD1-CG 3.42Å; F159-F170 HydrophobicContact CD1-CG 3.42Å; F159-F170 VanDerWaalsContact CD1-CG 3.42Å; F159-F170 HydrophobicContact CD1-CZ 4.1Å; F159-F170 AromaticContact CE1-CD1 3.58Å; F159-F170 HydrophobicContact CE1-CD1 3.58Å; F159-F170 AromaticContact CE1-CE1 3.86Å; F159-F170 HydrophobicContact CE1-CE1 3.86Å; F159-F170 HydrophobicContact CE1-CG 4.13Å; F159-F170 HydrophobicContact CG-CB 4.22Å; F159-F170 HydrophobicContact CG-CD1 4.36Å; F159-F170 HydrophobicContact CG-CD2 4.41Å; F159-F170 HydrophobicContact CG-CG 4.08Å; W162-F170 HydrophobicContact CB-CE2 4.25Å; W162-F170 HydrophobicContact CB-CZ 4.45Å; Q163-F170 HydrophobicContact CB-CD2 3.86Å; Q163-F170 HydrophobicContact CB-CE2 3.99Å; Q163-F170 HydrophobicContact CG-CD2 4.36Å; L168-F170 HydrophobicContact CB-CE2 4.14Å; L168-F170 HydrophobicContact CB-CZ 4.03Å; L168-F170 HydrophobicContact CD1-CZ 4.01Å; F170-L255 HydrophobicContact CE1-CD2 3.92Å; F170-L255 HydrophobicContact CZ-CD1 4.08Å; F170-L255 HydrophobicContact CZ-CD2 3.87Å
171	E	96	Very high	92.2	Very high	93 Å²	93	60.5 Å²	60.5	44%	0.435	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.9	175.9	179	177.4	-155.8	0	0	109.6	H134 I135 T136 Y137	H134-E171 IonicContact CE1-OE2 3.02Å; H134-E171 PolarHBondContact CE1-OE2 3.28Å; H134-E171 VanDerWaalsContact NE2-CB 3.33Å; H134-E171 WeakPolarHBondContact NE2-CB 3.17Å; H134-E171 IonicContact NE2-OE2 3.17Å; H134-E171 PolarHBondContact NE2-OE2 3.4Å; I135-E171 PolarHBondContact O-N 2.8Å; T136-E171 WeakPolarHBondContact CA-O 3.17Å; T136-E171 HydrophobicContact CG2-CB 4.43Å; Y137-E171 WeakPolarHBondContact CD1-O 3.44Å; Y137-E171 PolarHBondContact N-O 3.03Å
172	A	94.9	Very high	91.2	Very high	60 Å²	60	68.9 Å²	68.9	50%	0.496	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	123.3	174.9	0	0	0	0	0	109.7	Y137	Y137-A172 HydrophobicContact CD1-CB 4.48Å; Y137-A172 HydrophobicContact CE1-CB 3.75Å; Y137-A172 HydrophobicContact CE2-CB 4.01Å; Y137-A172 VanDerWaalsContact CZ-CB 3.49Å
173	V	93.9	Very high	90.4	Very high	29 Å²	29	75.8 Å²	75.8	18%	0.176	38%	0.375	C	S	.	.			trans	-110	124.6	175.2	-175.8	0	0	0	0	108.9	T136 Y137 S138 Y175 E177 L178 V185	T136-V173 HydrophobicContact CG2-CG2 4.38Å; Y137-V173 PolarHBondContact O-N 2.99Å; S138-V173 VanDerWaalsContact CB-O 3.27Å; S138-V173 WeakPolarHBondContact CB-O 3.36Å; S138-V173 PolarHBondContact OG-O 2.9Å; V173-Y175 PolarHBondContact O-N 3.04Å; V173-E177 HydrophobicContact CG1-CB 4.45Å; V173-L178 HydrophobicContact CG1-CD2 3.76Å; V173-L178 HydrophobicContact CG1-CG 4.35Å; V173-V185 HydrophobicContact CB-CG1 4.26Å; V173-V185 HydrophobicContact CG2-CG1 4.39Å
174	P	91.7	Very high	89.6	Confident	67 Å²	67	79.1 Å²	79.1	44%	0.435	39%	0.394	S	S	.	.			trans	-59.1	133.1	177.3	-22.7	32.8	0	0	0	111.7	S176 E177	P174-S176 PolarHBondContact O-N 3.14Å; P174-E177 HydrophobicContact CB-CG 4.31Å; P174-E177 WeakPolarHBondContact O-CB 3.4Å; P174-E177 PolarHBondContact O-N 2.53Å
175	Y	87.9	Confident	89.5	Confident	65 Å²	65	75.8 Å²	75.8	26%	0.255	37%	0.37	S	S	.	.	H	α-helix	trans	-60.3	-32.8	-176	-173.4	-97	0	0	0	113	S138 K140 V173 E177 L178 E179	S138-Y175 VanDerWaalsContact OG-CA 3.32Å; S138-Y175 WeakPolarHBondContact OG-CA 3.3Å; S138-Y175 PolarHBondContact OG-N 3.49Å; K140-Y175 HydrophobicContact CB-CD2 3.91Å; K140-Y175 HydrophobicContact CB-CE2 3.82Å; K140-Y175 HydrophobicContact CB-CG 4.45Å; K140-Y175 HydrophobicContact CD-CE2 4.03Å; K140-Y175 WeakPolarHBondContact CE-OH 3.37Å; K140-Y175 HydrophobicContact CG-CD1 4.48Å; K140-Y175 HydrophobicContact CG-CD2 4.15Å; K140-Y175 HydrophobicContact CG-CE1 4.05Å; K140-Y175 HydrophobicContact CG-CE2 3.68Å; V173-Y175 PolarHBondContact O-N 3.04Å; Y175-E177 PolarHBondContact O-N 3.29Å; Y175-L178 HydrophobicContact CD2-CD1 4.21Å; Y175-L178 WeakPolarHBondContact O-CB 3.39Å; Y175-L178 PolarHBondContact O-N 3.32Å; Y175-E179 HydrophobicContact CD1-CG 4.08Å; Y175-E179 HydrophobicContact CE1-CG 3.66Å; Y175-E179 WeakPolarHBondContact CE1-OE1 3.15Å; Y175-E179 PolarHBondContact O-N 2.75Å
176	S	87.9	Confident	89.3	Confident	79 Å²	79	76 Å²	76	55%	0.552	37%	0.371	S	S	*	.	H	α-helix	trans	-59.8	-29.1	175.2	55.8	0	0	0	0	113.5	P174 R180	P174-S176 PolarHBondContact O-N 3.14Å; S176-R180 PolarHBondContact O-N 2.92Å
177	E	87.3	Confident	89.3	Confident	94 Å²	94	75.9 Å²	75.9	44%	0.439	37%	0.37	S	S	.	.	H	α-helix	trans	-73.1	-33.1	174.9	-66.4	-169.8	-159.6	0	0	112.1	V173 P174 Y175 R180 T181	V173-E177 HydrophobicContact CG1-CB 4.45Å; P174-E177 HydrophobicContact CB-CG 4.31Å; P174-E177 WeakPolarHBondContact O-CB 3.4Å; P174-E177 PolarHBondContact O-N 2.53Å; Y175-E177 PolarHBondContact O-N 3.29Å; E177-R180 PolarHBondContact O-N 3.01Å; E177-T181 WeakPolarHBondContact O-CB 3.09Å; E177-T181 WeakPolarHBondContact O-CG2 3.46Å; E177-T181 PolarHBondContact O-N 2.85Å; E177-T181 PolarHBondContact O-OG1 3.26Å
178	L	85.9	Confident	89.2	Confident	19 Å²	19	76 Å²	76	10%	0.099	37%	0.37	C	S	.	.	H	α-helix	trans	-68.3	-43	177.3	-54.1	-177.6	0	0	0	110.9	S138 V173 Y175 R180 T181 K182 K183 V185	S138-L178 VanDerWaalsContact CB-CD1 3.48Å; V173-L178 HydrophobicContact CG1-CD2 3.76Å; V173-L178 HydrophobicContact CG1-CG 4.35Å; Y175-L178 HydrophobicContact CD2-CD1 4.21Å; Y175-L178 WeakPolarHBondContact O-CB 3.39Å; Y175-L178 PolarHBondContact O-N 3.32Å; L178-R180 VanDerWaalsContact C-N 3.25Å; L178-R180 PolarHBondContact O-N 3.17Å; L178-T181 PolarHBondContact O-N 2.79Å; L178-K182 VanDerWaalsContact O-CA 3.31Å; L178-K182 WeakPolarHBondContact O-CA 3.43Å; L178-K182 PolarHBondContact O-N 3.01Å; L178-K183 WeakPolarHBondContact CD2-O 3.49Å; L178-V185 HydrophobicContact CD1-CB 4.5Å; L178-V185 HydrophobicContact CD1-CG1 3.71Å; L178-V185 HydrophobicContact CD1-CG2 3.98Å; L178-V185 HydrophobicContact CD2-CG1 3.61Å; L178-V185 HydrophobicContact CG-CG1 4.3Å
179	E	83.8	Confident	89.3	Confident	133 Å²	133	76 Å²	76	62%	0.621	37%	0.37	S	S	*	.	H	α-helix	trans	-60.2	-37.2	175.4	-67.1	-168.3	138.7	0	0	112.1	Y175	Y175-E179 HydrophobicContact CD1-CG 4.08Å; Y175-E179 HydrophobicContact CE1-CG 3.66Å; Y175-E179 WeakPolarHBondContact CE1-OE1 3.15Å; Y175-E179 PolarHBondContact O-N 2.75Å
180	R	83.6	Confident	89.1	Confident	194 Å²	194	69.6 Å²	69.6	73%	0.732	35%	0.348	S	S	*	.	H	α-helix	trans	-76.3	-41.1	179.8	-168.9	-176.6	67.6	82.5	0.5	113	S176 E177 L178	S176-R180 PolarHBondContact O-N 2.92Å; E177-R180 PolarHBondContact O-N 3.01Å; L178-R180 VanDerWaalsContact C-N 3.25Å; L178-R180 PolarHBondContact O-N 3.17Å
181	T	82.5	Confident	89	Confident	68 Å²	68	68.5 Å²	68.5	42%	0.417	34%	0.343	S	S	.	.	H	α-helix	trans	-93.9	-13.7	-172.5	59.5	0	0	0	0	113.6	E177 L178 K183	E177-T181 WeakPolarHBondContact O-CB 3.09Å; E177-T181 WeakPolarHBondContact O-CG2 3.46Å; E177-T181 PolarHBondContact O-N 2.85Å; E177-T181 PolarHBondContact O-OG1 3.26Å; L178-T181 PolarHBondContact O-N 2.79Å; T181-K183 PolarHBondContact O-N 3.27Å; T181-K183 WeakPolarHBondContact OG1-CB 3.42Å
182	K	77.6	Confident	88.5	Confident	197 Å²	197	65 Å²	65	86%	0.857	33%	0.329	S	S	*	.			trans	52.2	28.8	-170.1	-58.7	-173.7	178.7	-176.5	0	112.9	L178	L178-K182 VanDerWaalsContact O-CA 3.31Å; L178-K182 WeakPolarHBondContact O-CA 3.43Å; L178-K182 PolarHBondContact O-N 3.01Å
183	K	78.8	Confident	88	Confident	145 Å²	145	64.7 Å²	64.7	63%	0.63	32%	0.324	S	S	*	.			trans	-86.9	140.6	175.9	-167	-177.8	174.3	-167.2	0	108.4	L178 T181	L178-K183 WeakPolarHBondContact CD2-O 3.49Å; T181-K183 PolarHBondContact O-N 3.27Å; T181-K183 WeakPolarHBondContact OG1-CB 3.42Å
184	D	80.6	Confident	87.3	Confident	110 Å²	110	64.5 Å²	64.5	59%	0.588	33%	0.328	S	S	*	.			trans	-90.1	154.9	175	-146.9	-0.8	0	0	0	110.7
185	V	91.3	Very high	86.4	Confident	11 Å²	11	68.8 Å²	68.8	7%	0.067	34%	0.34	C	S	.	.			trans	-113.8	164.9	173.1	-68.6	0	0	0	0	109.9	V173 L178	V173-V185 HydrophobicContact CB-CG1 4.26Å; V173-V185 HydrophobicContact CG2-CG1 4.39Å; L178-V185 HydrophobicContact CD1-CB 4.5Å; L178-V185 HydrophobicContact CD1-CG1 3.71Å; L178-V185 HydrophobicContact CD1-CG2 3.98Å; L178-V185 HydrophobicContact CD2-CG1 3.61Å; L178-V185 HydrophobicContact CG-CG1 4.3Å
186	D	92.6	Very high	85.8	Confident	31 Å²	31	67.2 Å²	67.2	17%	0.166	34%	0.335	C	S	.	.	S	Bend	trans	-74.9	-30.8	-179.9	-57.8	-68.8	0	0	0	112.4	W130 H132 I135 T136	W130-D186 HydrophobicContact CH2-CB 3.82Å; W130-D186 VanDerWaalsContact CH2-O 3.27Å; W130-D186 WeakPolarHBondContact CH2-O 3.36Å; W130-D186 HydrophobicContact CZ2-CB 4.14Å; W130-D186 WeakPolarHBondContact CZ2-O 3.26Å; W130-D186 HydrophobicContact CZ3-CB 4.09Å; H132-D186 IonicContact CE1-OD1 3.3Å; H132-D186 PolarHBondContact CE1-OD1 3.03Å; H132-D186 VanDerWaalsContact NE2-CG 3.26Å; H132-D186 IonicContact NE2-OD1 3.43Å; H132-D186 PolarHBondContact NE2-OD1 3.49Å; H132-D186 IonicContact NE2-OD2 2.72Å; H132-D186 PolarHBondContact NE2-OD2 2.92Å; I135-D186 WeakPolarHBondContact CA-OD2 3.32Å; I135-D186 HydrophobicContact CG2-CB 3.74Å; T136-D186 PolarHBondContact N-OD2 2.69Å; T136-D186 WeakPolarHBondContact O-CB 3.15Å; T136-D186 PolarHBondContact O-N 3.33Å; T136-D186 PolarHBondContact OG1-N 2.97Å; T136-D186 PolarHBondContact OG1-OD2 2.83Å; T136-D186 VanDerWaalsContact OG1-OD2 3.04Å
187	I	95.7	Very high	84.5	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	115.8	-178.8	-62.9	172.3	0	0	0	110.3	W130 I135 T136 Y137 S138 F159 I189 G221 L251 A254	W130-I187 HydrophobicContact CZ2-CG1 4.26Å; I135-I187 HydrophobicContact CG2-CD1 3.85Å; I135-I187 HydrophobicContact CG2-CG1 4.25Å; T136-I187 PolarHBondContact O-N 3.3Å; T136-I187 VanDerWaalsContact O-N 3.09Å; Y137-I187 CarbonylContact C-O 3.56Å; Y137-I187 WeakPolarHBondContact CA-O 3.39Å; Y137-I187 WeakPolarHBondContact CB-O 3.39Å; S138-I187 PolarHBondContact N-O 3.04Å; F159-I187 HydrophobicContact CE1-CD1 4.06Å; F159-I187 HydrophobicContact CZ-CD1 4.37Å; F159-I187 HydrophobicContact CZ-CG2 4.31Å; I187-I189 HydrophobicContact CG2-CG1 4.2Å; I187-G221 WeakPolarHBondContact CG2-O 3.16Å; I187-L251 HydrophobicContact CG2-CD2 4.37Å; I187-A254 HydrophobicContact CD1-CB 3.98Å; I187-A254 HydrophobicContact CG1-CB 4.42Å
188	T	93.4	Very high	83.8	Confident	15 Å²	15	63 Å²	63	9%	0.092	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	129	169.6	-49.7	0	0	0	0	110.5	K140 I190 D222 T223	K140-T188 HydrophobicContact CB-CG2 4.35Å; T188-I190 HydrophobicContact CG2-CD1 4.11Å; T188-I190 HydrophobicContact CG2-CG1 3.88Å; T188-D222 WeakPolarHBondContact CA-OD1 3.4Å; T188-D222 WeakPolarHBondContact CB-OD1 3.42Å; T188-D222 PolarHBondContact N-OD1 3.22Å; T188-D222 WeakPolarHBondContact O-CA 3.44Å; T188-D222 PolarHBondContact OG1-OD1 2.99Å; T188-T223 PolarHBondContact O-N 3.48Å
189	I	96.3	Very high	82.8	Confident	0 Å²	0	67 Å²	67	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.6	176.3	-66.2	170.4	0	0	0	109.6	Y137 S138 I139 K140 I155 F159 I187 F191 T223 F225	Y137-I189 HydrophobicContact CD2-CD1 4.26Å; S138-I189 PolarHBondContact O-N 3.16Å; I139-I189 HydrophobicContact CG1-CB 4.27Å; I139-I189 HydrophobicContact CG1-CD1 4.34Å; K140-I189 WeakPolarHBondContact CB-O 3.45Å; K140-I189 PolarHBondContact N-O 3.12Å; I155-I189 HydrophobicContact CD1-CD1 4.45Å; I155-I189 HydrophobicContact CG2-CD1 3.37Å; F159-I189 HydrophobicContact CE2-CD1 3.84Å; F159-I189 HydrophobicContact CZ-CD1 4.22Å; I187-I189 HydrophobicContact CG2-CG1 4.2Å; I189-F191 HydrophobicContact CG2-CE2 4.14Å; I189-T223 WeakPolarHBondContact CA-O 3.17Å; I189-F225 HydrophobicContact CG2-CD2 3.99Å; I189-F225 HydrophobicContact CG2-CE2 3.69Å
190	I	93.2	Very high	82.2	Confident	25 Å²	25	62.7 Å²	62.7	13%	0.128	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	138.5	-175.7	-49.1	-179	0	0	0	109.8	K140 T188 A192 T223 H224 F225	K140-I190 HydrophobicContact CB-CG1 4.09Å; K140-I190 HydrophobicContact CD-CD1 3.92Å; K140-I190 HydrophobicContact CD-CG1 3.99Å; K140-I190 HydrophobicContact CD-CG2 4.35Å; T188-I190 HydrophobicContact CG2-CD1 4.11Å; T188-I190 HydrophobicContact CG2-CG1 3.88Å; I190-A192 HydrophobicContact CG2-CB 4.38Å; I190-T223 PolarHBondContact N-O 3.34Å; I190-H224 CarbonylContact O-C 3.57Å; I190-H224 VanDerWaalsContact O-CA 3.3Å; I190-H224 WeakPolarHBondContact O-CA 3.38Å; I190-F225 PolarHBondContact O-N 3.15Å
191	F	93.7	Very high	81.7	Confident	4 Å²	4	56 Å²	56	2%	0.018	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.3	166.6	-68.2	-99.4	0	0	0	108.2	N141 T143 T151 I189 F225 S227 L243	N141-F191 PolarHBondContact ND2-O 3.28Å; N141-F191 WeakPolarHBondContact O-CD2 3.27Å; N141-F191 PolarHBondContact OD1-N 3.19Å; N141-F191 PolarHBondContact OD1-O 3.01Å; T143-F191 HydrophobicContact CG2-CD1 3.97Å; T143-F191 HydrophobicContact CG2-CE1 3.57Å; T143-F191 HydrophobicContact CG2-CZ 4.03Å; T151-F191 HydrophobicContact CG2-CE2 3.84Å; T151-F191 HydrophobicContact CG2-CZ 3.82Å; I189-F191 HydrophobicContact CG2-CE2 4.14Å; F191-F225 WeakPolarHBondContact CA-O 3.46Å; F191-F225 HydrophobicContact CD1-CB 3.52Å; F191-F225 HydrophobicContact CD1-CG 4.26Å; F191-F225 HydrophobicContact CE1-CB 3.57Å; F191-F225 HydrophobicContact CE1-CD2 4.12Å; F191-F225 AromaticContact CE1-CG 3.84Å; F191-F225 HydrophobicContact CE1-CG 3.84Å; F191-F225 HydrophobicContact CE2-CD2 4.27Å; F191-F225 HydrophobicContact CG-CB 4.19Å; F191-F225 HydrophobicContact CZ-CB 4.29Å; F191-F225 AromaticContact CZ-CD2 3.98Å; F191-F225 HydrophobicContact CZ-CD2 3.98Å; F191-F225 HydrophobicContact CZ-CG 4.14Å; F191-S227 WeakPolarHBondContact CB-OG 3.39Å; F191-L243 HydrophobicContact CE1-CD1 3.77Å; F191-L243 HydrophobicContact CE1-CD2 4.38Å; F191-L243 HydrophobicContact CZ-CD1 3.86Å; F191-L243 HydrophobicContact CZ-CD2 4.12Å
192	A	86.5	Confident	81.6	Confident	18 Å²	18	53.3 Å²	53.3	15%	0.149	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	162.5	179.3	0	0	0	0	0	112	I190 H196 F202 F225 D226 S227	I190-A192 HydrophobicContact CG2-CB 4.38Å; A192-H196 HydrophobicContact CB-CB 3.26Å; A192-F202 WeakPolarHBondContact O-CD2 3.34Å; A192-F202 WeakPolarHBondContact O-CE2 3.4Å; A192-F225 PolarHBondContact N-O 2.79Å; A192-D226 CarbonylContact O-C 3.41Å; A192-D226 WeakPolarHBondContact O-CA 3.3Å; A192-S227 WeakPolarHBondContact CA-OG 3.31Å; A192-S227 PolarHBondContact N-OG 2.6Å; A192-S227 PolarHBondContact O-N 2.7Å
193	S	84.3	Confident	81.6	Confident	54 Å²	54	47.9 Å²	47.9	38%	0.378	28%	0.284	S	S	.	.			trans	-113	147.8	175.5	-53.5	0	0	0	0	109.9	F195 S227 D228	S193-F195 PolarHBondContact O-N 3.45Å; S193-S227 WeakPolarHBondContact OG-CB 3.35Å; S193-D228 WeakPolarHBondContact CB-OD1 3.35Å; S193-D228 WeakPolarHBondContact CB-OD2 3.41Å; S193-D228 VanDerWaalsContact OG-CG 3.29Å; S193-D228 PolarHBondContact OG-OD1 3.34Å
194	G	78.3	Confident	81.6	Confident	25 Å²	25	41.6 Å²	41.6	26%	0.258	26%	0.261	S	S	.	.	S	Bend	trans	55	-132.7	175	0	0	0	0	0	114	H196 P201 F202	G194-H196 PolarHBondContact O-N 3.31Å; G194-H196 PolarHBondContact O-ND1 3.48Å; G194-P201 WeakPolarHBondContact O-CA 3.42Å; G194-F202 PolarHBondContact O-N 3.31Å
195	F	72.3	Confident	81.8	Confident	158 Å²	158	43.5 Å²	43.5	69%	0.693	27%	0.266	S	S	*	.			trans	-76.7	118.7	176.2	179.1	-98.6	0	0	0	111.3	S193 D198 P201	S193-F195 PolarHBondContact O-N 3.45Å; F195-D198 WeakPolarHBondContact CE2-O 3.28Å; F195-P201 HydrophobicContact CB-CB 4.35Å
196	H	75.6	Confident	81.1	Confident	31 Å²	31	44.4 Å²	44.4	14%	0.144	28%	0.277	C	S	.	.			trans	-131.1	26.4	-167.1	56	-89.1	0	0	0	114.6	A192 G194 D198 S200 F202 H211 H224	A192-H196 HydrophobicContact CB-CB 3.26Å; G194-H196 PolarHBondContact O-N 3.31Å; G194-H196 PolarHBondContact O-ND1 3.48Å; H196-D198 IonicContact CD2-OD2 2.84Å; H196-D198 IonicContact CE1-OD1 3.58Å; H196-D198 IonicContact NE2-OD1 2.71Å; H196-D198 IonicContact NE2-OD2 2.64Å; H196-D198 PolarHBondContact NE2-OD2 3.28Å; H196-S200 PolarHBondContact CE1-O 3.39Å; H196-F202 AromaticContact CE1-CD2 3.29Å; H196-F202 WeakPolarHBondContact CE1-CD2 3.46Å; H196-F202 AromaticContact CE1-CE2 3.22Å; H196-F202 WeakPolarHBondContact CE1-CE2 3.36Å; H196-F202 AromaticContact CE1-CG 3.92Å; H196-F202 AromaticContact CE1-CZ 3.79Å; H196-F202 AromaticContact ND1-CD2 3.36Å; H196-F202 WeakPolarHBondContact ND1-CD2 3.4Å; H196-F202 AromaticContact ND1-CE2 3.59Å; H196-F202 AromaticContact NE2-CE2 3.6Å; H196-H211 AromaticContact CE1-CE1 4Å; H196-H211 AromaticContact NE2-CE1 3.6Å; H196-H211 AromaticContact NE2-NE2 3.58Å; H196-H224 AromaticContact CD2-CE1 3.93Å; H196-H224 AromaticContact CD2-CG 3.9Å; H196-H224 AromaticContact CD2-ND1 3.19Å; H196-H224 PolarHBondContact CD2-ND1 2.98Å; H196-H224 AromaticContact NE2-CG 3.75Å; H196-H224 AromaticContact NE2-ND1 3.04Å; H196-H224 PolarHBondContact NE2-ND1 2.83Å
197	G	61.8	Low	80.6	Confident	68 Å²	68	43.5 Å²	43.5	70%	0.701	28%	0.275	S	S	*	.	S	Bend	trans	101.7	2.3	171	0	0	0	0	0	115.4
198	D	72.2	Confident	80.1	Confident	17 Å²	17	43.6 Å²	43.6	9%	0.091	28%	0.276	C	S	.	.	S	Bend	trans	-124.1	-175.8	171.9	72.5	22.8	0	0	0	111.8	F195 H196 S200 H211 Y213 H224	F195-D198 WeakPolarHBondContact CE2-O 3.28Å; H196-D198 IonicContact CD2-OD2 2.84Å; H196-D198 IonicContact CE1-OD1 3.58Å; H196-D198 IonicContact NE2-OD1 2.71Å; H196-D198 IonicContact NE2-OD2 2.64Å; H196-D198 PolarHBondContact NE2-OD2 3.28Å; D198-S200 VanDerWaalsContact C-N 3.29Å; D198-S200 PolarHBondContact O-N 2.86Å; D198-S200 WeakPolarHBondContact OD1-CA 3.36Å; D198-S200 PolarHBondContact OD1-N 2.78Å; D198-H211 IonicContact OD1-CE1 3.06Å; D198-H211 IonicContact OD2-CE1 2.76Å; D198-H211 PolarHBondContact OD2-CE1 3.31Å; D198-H211 IonicContact OD2-NE2 3.21Å; D198-H211 PolarHBondContact OD2-NE2 3.02Å; D198-Y213 HydrophobicContact CB-CE2 4.41Å; D198-Y213 WeakPolarHBondContact CB-OH 3.42Å; D198-Y213 PolarHBondContact OD2-OH 3.06Å; D198-H224 IonicContact OD2-CE1 3.68Å; D198-H224 PolarHBondContact OD2-CE1 2.7Å; D198-H224 IonicContact OD2-ND1 3.17Å; D198-H224 PolarHBondContact OD2-ND1 2.63Å
199	S	65.1	Low	80	Confident	104 Å²	104	43 Å²	43	73%	0.727	27%	0.272	S	S	*	.	S	Bend	trans	-85.6	9.4	-177.3	65.5	0	0	0	0	114.7
200	S	70.5	Confident	79.9	Confident	42 Å²	42	43 Å²	43	29%	0.294	27%	0.272	S	S	.	.			trans	-131.8	73.1	-168.4	-54.8	0	0	0	0	110	H196 D198 H211	H196-S200 PolarHBondContact CE1-O 3.39Å; D198-S200 VanDerWaalsContact C-N 3.29Å; D198-S200 PolarHBondContact O-N 2.86Å; D198-S200 WeakPolarHBondContact OD1-CA 3.36Å; D198-S200 PolarHBondContact OD1-N 2.78Å; S200-H211 VanDerWaalsContact CB-CE1 3.42Å; S200-H211 WeakPolarHBondContact CB-CE1 3.25Å; S200-H211 PolarHBondContact O-CE1 3.38Å
201	P	72.9	Confident	79.6	Confident	54 Å²	54	42.3 Å²	42.3	35%	0.351	27%	0.268	S	S	.	.			trans	-66.8	143.2	-177.1	28.7	-35.2	0	0	0	112	G194 F195	G194-P201 WeakPolarHBondContact O-CA 3.42Å; F195-P201 HydrophobicContact CB-CB 4.35Å
202	F	80.8	Confident	79.6	Confident	11 Å²	11	42.4 Å²	42.4	5%	0.048	27%	0.269	C	S	.	.			trans	-70.1	156.7	172.5	-69.5	-55.8	0	0	0	112.3	A192 G194 H196 F208 H224 D226	A192-F202 WeakPolarHBondContact O-CD2 3.34Å; A192-F202 WeakPolarHBondContact O-CE2 3.4Å; G194-F202 PolarHBondContact O-N 3.31Å; H196-F202 AromaticContact CE1-CD2 3.29Å; H196-F202 WeakPolarHBondContact CE1-CD2 3.46Å; H196-F202 AromaticContact CE1-CE2 3.22Å; H196-F202 WeakPolarHBondContact CE1-CE2 3.36Å; H196-F202 AromaticContact CE1-CG 3.92Å; H196-F202 AromaticContact CE1-CZ 3.79Å; H196-F202 AromaticContact ND1-CD2 3.36Å; H196-F202 WeakPolarHBondContact ND1-CD2 3.4Å; H196-F202 AromaticContact ND1-CE2 3.59Å; H196-F202 AromaticContact NE2-CE2 3.6Å; F202-F208 AromaticContact CD1-CD1 3.97Å; F202-F208 HydrophobicContact CD1-CD1 3.97Å; F202-F208 HydrophobicContact CD1-CD2 4.08Å; F202-F208 AromaticContact CD1-CE1 3.76Å; F202-F208 HydrophobicContact CD1-CE1 3.76Å; F202-F208 AromaticContact CD1-CE2 3.79Å; F202-F208 HydrophobicContact CD1-CE2 3.79Å; F202-F208 HydrophobicContact CD1-CG 4.12Å; F202-F208 AromaticContact CD1-CZ 3.64Å; F202-F208 HydrophobicContact CD1-CZ 3.64Å; F202-F208 HydrophobicContact CE1-CD2 4.06Å; F202-F208 HydrophobicContact CE1-CE1 4.15Å; F202-F208 AromaticContact CE1-CE2 3.46Å; F202-F208 HydrophobicContact CE1-CE2 3.46Å; F202-F208 VanDerWaalsContact CE1-CE2 3.46Å; F202-F208 AromaticContact CE1-CZ 3.53Å; F202-F208 HydrophobicContact CE1-CZ 3.53Å; F202-H224 HydrophobicContact CE2-CB 4.16Å; F202-H224 HydrophobicContact CZ-CB 3.82Å; F202-D226 HydrophobicContact CB-CB 4.23Å; F202-D226 WeakPolarHBondContact CB-OD2 3.25Å; F202-D226 HydrophobicContact CD1-CB 3.63Å; F202-D226 HydrophobicContact CD2-CB 3.98Å; F202-D226 HydrophobicContact CE1-CB 3.92Å; F202-D226 HydrophobicContact CE2-CB 4.25Å; F202-D226 HydrophobicContact CG-CB 3.69Å; F202-D226 HydrophobicContact CZ-CB 4.23Å
203	D	77.3	Confident	79.5	Confident	82 Å²	82	44 Å²	44	44%	0.439	27%	0.272	S	S	.	.			trans	-107.3	4.6	-175.9	54.5	7.2	0	0	0	115	R47 F208	R47-D203 IonicContact CZ-OD2 3.85Å; R47-D203 IonicContact NH1-OD2 2.95Å; R47-D203 PolarHBondContact NH1-OD2 3.07Å; D203-F208 VanDerWaalsContact OD1-CB 3.29Å; D203-F208 WeakPolarHBondContact OD1-CB 3.25Å; D203-F208 PolarHBondContact OD1-N 3.18Å
204	G	80.1	Confident	79.6	Confident	14 Å²	14	42.6 Å²	42.6	14%	0.144	26%	0.259	C	S	.	.	S	Bend	trans	96.9	-153.4	177.4	0	0	0	0	0	111.2	G206 D226	G204-G206 PolarHBondContact O-N 3.38Å; G204-D226 PolarHBondContact N-OD2 3.48Å
205	E	83.6	Confident	80.2	Confident	150 Å²	150	41.7 Å²	41.7	70%	0.701	25%	0.249	S	C	*	.	S	Bend	trans	-69	122.6	-176.9	-174.4	174.2	176.1	0	0	112.8
206	G	77.4	Confident	80.6	Confident	29 Å²	29	35.2 Å²	35.2	30%	0.299	23%	0.226	S	C	.	.	S	Bend	trans	87.3	161.1	176.7	0	0	0	0	0	113.2	G204 F208 E229	G204-G206 PolarHBondContact O-N 3.38Å; G206-F208 PolarHBondContact O-N 3.3Å; G206-E229 WeakPolarHBondContact CA-OE1 3.33Å; G206-E229 VanDerWaalsContact N-CD 3.28Å; G206-E229 PolarHBondContact N-OE1 3.41Å; G206-E229 PolarHBondContact N-OE2 3.14Å
207	G	82.8	Confident	80.5	Confident	12 Å²	12	40 Å²	40	12%	0.124	26%	0.26	C	S	.	.	S	Bend	trans	83.7	-87.2	179.8	0	0	0	0	0	112.1	P102 R103	P102-G207 CarbonylContact C-O 3.54Å; P102-G207 WeakPolarHBondContact CA-O 3.46Å; R103-G207 WeakPolarHBondContact CG-O 3.31Å; R103-G207 PolarHBondContact N-O 2.67Å; R103-G207 VanDerWaalsContact O-O 3.12Å
208	F	84.5	Confident	81.4	Confident	3 Å²	3	39.1 Å²	39.1	1%	0.013	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	93.3	-171.5	176.2	-166.6	0	0	0	111.8	F202 D203 G206 A210 H211	F202-F208 AromaticContact CD1-CD1 3.97Å; F202-F208 HydrophobicContact CD1-CD1 3.97Å; F202-F208 HydrophobicContact CD1-CD2 4.08Å; F202-F208 AromaticContact CD1-CE1 3.76Å; F202-F208 HydrophobicContact CD1-CE1 3.76Å; F202-F208 AromaticContact CD1-CE2 3.79Å; F202-F208 HydrophobicContact CD1-CE2 3.79Å; F202-F208 HydrophobicContact CD1-CG 4.12Å; F202-F208 AromaticContact CD1-CZ 3.64Å; F202-F208 HydrophobicContact CD1-CZ 3.64Å; F202-F208 HydrophobicContact CE1-CD2 4.06Å; F202-F208 HydrophobicContact CE1-CE1 4.15Å; F202-F208 AromaticContact CE1-CE2 3.46Å; F202-F208 HydrophobicContact CE1-CE2 3.46Å; F202-F208 VanDerWaalsContact CE1-CE2 3.46Å; F202-F208 AromaticContact CE1-CZ 3.53Å; F202-F208 HydrophobicContact CE1-CZ 3.53Å; D203-F208 VanDerWaalsContact OD1-CB 3.29Å; D203-F208 WeakPolarHBondContact OD1-CB 3.25Å; D203-F208 PolarHBondContact OD1-N 3.18Å; G206-F208 PolarHBondContact O-N 3.3Å; F208-A210 VanDerWaalsContact CE2-C 3.48Å; F208-A210 VanDerWaalsContact CE2-O 3.26Å; F208-A210 WeakPolarHBondContact CE2-O 3Å; F208-H211 HydrophobicContact CE2-CB 3.86Å; F208-H211 HydrophobicContact CZ-CB 4.06Å; F208-H211 AromaticContact CZ-CG 3.94Å; F208-H211 AromaticContact CZ-ND1 3.31Å; F208-H211 VanDerWaalsContact CZ-ND1 3.31Å; F208-H211 WeakPolarHBondContact CZ-ND1 3.41Å
209	L	91.1	Very high	81.5	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	-44.8	-171.6	-59.1	-170.7	0	0	0	114.7	P102 R103 D226 E229 W231 N241 V246 Y271	P102-L209 HydrophobicContact CB-CD1 3.98Å; P102-L209 HydrophobicContact CB-CD2 3.61Å; P102-L209 HydrophobicContact CB-CG 3.9Å; R103-L209 PolarHBondContact O-N 3.11Å; L209-D226 WeakPolarHBondContact O-CB 3.46Å; L209-D226 PolarHBondContact O-N 3.17Å; L209-E229 HydrophobicContact CD2-CG 3.85Å; L209-E229 VanDerWaalsContact CD2-OE1 3.29Å; L209-E229 WeakPolarHBondContact CD2-OE1 3.33Å; L209-E229 WeakPolarHBondContact CD2-OE2 3.46Å; L209-W231 HydrophobicContact CB-CH2 4.32Å; L209-N241 HydrophobicContact CD1-CB 4.32Å; L209-N241 HydrophobicContact CD2-CB 4.49Å; L209-N241 VanDerWaalsContact CD2-ND2 3.32Å; L209-N241 WeakPolarHBondContact CD2-ND2 3.39Å; L209-V246 HydrophobicContact CB-CG1 4.45Å; L209-V246 HydrophobicContact CD1-CG2 3.81Å; L209-Y271 HydrophobicContact CD1-CD2 3.94Å; L209-Y271 HydrophobicContact CD1-CG 3.86Å
210	A	93.1	Very high	82.2	Confident	0 Å²	0	38 Å²	38	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	159.7	-170.5	0	0	0	0	0	110	G105 F208 H224 F225 V246 E250	G105-A210 PolarHBondContact N-O 2.93Å; F208-A210 VanDerWaalsContact CE2-C 3.48Å; F208-A210 VanDerWaalsContact CE2-O 3.26Å; F208-A210 WeakPolarHBondContact CE2-O 3Å; A210-H224 CarbonylContact C-O 3.55Å; A210-H224 WeakPolarHBondContact CA-O 2.9Å; A210-H224 VanDerWaalsContact CB-O 3.25Å; A210-H224 WeakPolarHBondContact CB-O 3.04Å; A210-F225 HydrophobicContact CB-CD1 3.77Å; A210-F225 HydrophobicContact CB-CE1 4.27Å; A210-F225 HydrophobicContact CB-CG 4.32Å; A210-V246 HydrophobicContact CB-CG1 3.66Å; A210-E250 HydrophobicContact CB-CG 3.58Å
211	H	88.6	Confident	82.9	Confident	9 Å²	9	36 Å²	36	4%	0.042	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	164.9	166.6	64.4	-150.3	0	0	0	111	V106 H196 D198 S200 F208 H224 E250	V106-H211 HydrophobicContact CG2-CB 4.12Å; H196-H211 AromaticContact CE1-CE1 4Å; H196-H211 AromaticContact NE2-CE1 3.6Å; H196-H211 AromaticContact NE2-NE2 3.58Å; D198-H211 IonicContact OD1-CE1 3.06Å; D198-H211 IonicContact OD2-CE1 2.76Å; D198-H211 PolarHBondContact OD2-CE1 3.31Å; D198-H211 IonicContact OD2-NE2 3.21Å; D198-H211 PolarHBondContact OD2-NE2 3.02Å; S200-H211 VanDerWaalsContact CB-CE1 3.42Å; S200-H211 WeakPolarHBondContact CB-CE1 3.25Å; S200-H211 PolarHBondContact O-CE1 3.38Å; F208-H211 HydrophobicContact CE2-CB 3.86Å; F208-H211 HydrophobicContact CZ-CB 4.06Å; F208-H211 AromaticContact CZ-CG 3.94Å; F208-H211 AromaticContact CZ-ND1 3.31Å; F208-H211 VanDerWaalsContact CZ-ND1 3.31Å; F208-H211 WeakPolarHBondContact CZ-ND1 3.41Å; H211-H224 AromaticContact CD2-CG 3.88Å; H211-H224 AromaticContact CD2-ND1 3.84Å; H211-H224 PolarHBondContact N-O 2.87Å; H211-H224 AromaticContact NE2-CE1 3.96Å; H211-H224 AromaticContact NE2-CG 3.5Å; H211-H224 AromaticContact NE2-ND1 3.02Å; H211-H224 PolarHBondContact NE2-ND1 2.92Å; H211-H224 PolarHBondContact O-N 2.87Å; H211-E250 WeakPolarHBondContact CA-OE2 3.4Å
212	A	92.1	Very high	83.7	Confident	6 Å²	6	34.3 Å²	34.3	5%	0.05	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	148.6	166	0	0	0	0	0	111.8	D222 T223 E250 H253 A254	A212-D222 CarbonylContact C-O 3.41Å; A212-D222 VanDerWaalsContact CA-O 3.28Å; A212-D222 WeakPolarHBondContact CA-O 3.3Å; A212-T223 HydrophobicContact CB-CG2 4.12Å; A212-T223 WeakPolarHBondContact CB-OG1 3.24Å; A212-E250 HydrophobicContact CB-CB 4.03Å; A212-E250 VanDerWaalsContact CB-O 3.23Å; A212-E250 WeakPolarHBondContact CB-O 3.35Å; A212-E250 PolarHBondContact N-OE2 2.85Å; A212-H253 HydrophobicContact CB-CB 3.88Å; A212-A254 HydrophobicContact CB-CB 4.46Å
213	Y	84.4	Confident	84.4	Confident	52 Å²	52	33.8 Å²	33.8	20%	0.204	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-83.8	144.2	172.5	-73.4	-80.9	0	0	0	110.7	D198 I219 G221 D222 A254	D198-Y213 HydrophobicContact CB-CE2 4.41Å; D198-Y213 WeakPolarHBondContact CB-OH 3.42Å; D198-Y213 PolarHBondContact OD2-OH 3.06Å; Y213-I219 WeakPolarHBondContact CB-O 3.1Å; Y213-I219 HydrophobicContact CD1-CD1 4.05Å; Y213-I219 HydrophobicContact CD1-CG1 4.33Å; Y213-I219 HydrophobicContact CD2-CB 4.48Å; Y213-I219 HydrophobicContact CD2-CD1 4.24Å; Y213-I219 HydrophobicContact CD2-CG1 4.39Å; Y213-I219 HydrophobicContact CE1-CD1 3.7Å; Y213-I219 HydrophobicContact CE1-CG1 4.47Å; Y213-I219 HydrophobicContact CE2-CD1 3.91Å; Y213-I219 HydrophobicContact CG-CD1 4.31Å; Y213-I219 HydrophobicContact CG-CG1 4.29Å; Y213-G221 VanDerWaalsContact O-CA 3.23Å; Y213-G221 WeakPolarHBondContact O-CA 3.31Å; Y213-G221 PolarHBondContact O-N 3.28Å; Y213-G221 VanDerWaalsContact O-N 3.07Å; Y213-D222 HydrophobicContact CD2-CB 4.37Å; Y213-D222 PolarHBondContact N-O 2.85Å; Y213-A254 WeakPolarHBondContact O-CA 3.43Å
214	F	88.1	Confident	85.1	Confident	25 Å²	25	30.3 Å²	30.3	11%	0.11	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-67.8	159.4	175.3	-62.9	-63.9	0	0	0	112.5	V106 L110 T126 Q128 G216 G220 G221 H253 L257 E258	V106-F214 HydrophobicContact CG1-CE2 4.29Å; V106-F214 HydrophobicContact CG1-CZ 3.88Å; L110-F214 HydrophobicContact CD1-CE2 3.67Å; L110-F214 HydrophobicContact CD1-CZ 3.68Å; L110-F214 HydrophobicContact CD2-CE2 3.76Å; L110-F214 HydrophobicContact CG-CE2 4.34Å; T126-F214 HydrophobicContact CG2-CB 4.47Å; T126-F214 HydrophobicContact CG2-CD1 3.25Å; T126-F214 HydrophobicContact CG2-CD2 3.82Å; T126-F214 HydrophobicContact CG2-CE1 3.2Å; T126-F214 HydrophobicContact CG2-CE2 3.77Å; T126-F214 HydrophobicContact CG2-CG 3.57Å; T126-F214 HydrophobicContact CG2-CZ 3.47Å; T126-F214 VanDerWaalsContact CG2-CZ 3.47Å; Q128-F214 HydrophobicContact CB-CB 4.48Å; F214-G216 PolarHBondContact O-N 2.87Å; F214-G220 CarbonylContact O-C 3.57Å; F214-G220 WeakPolarHBondContact O-CA 3.26Å; F214-G221 PolarHBondContact O-N 3.15Å; F214-H253 HydrophobicContact CD1-CB 4.46Å; F214-H253 VanDerWaalsContact CD1-O 3.32Å; F214-H253 WeakPolarHBondContact CD1-O 3.34Å; F214-H253 HydrophobicContact CE1-CB 4.13Å; F214-H253 AromaticContact CE1-ND1 3.71Å; F214-L257 VanDerWaalsContact CE1-O 3.31Å; F214-L257 WeakPolarHBondContact CE1-O 3.45Å; F214-E258 HydrophobicContact CZ-CG 4.42Å
215	P	89.8	Confident	85.9	Confident	6 Å²	6	29.7 Å²	29.7	4%	0.039	18%	0.184	C	C	.	.	S	Bend	trans	-51	126.6	179.3	-25.2	28.5	0	0	0	113	W130 A254	W130-P215 HydrophobicContact CD2-CB 3.92Å; W130-P215 HydrophobicContact CE3-CB 4.49Å; W130-P215 HydrophobicContact CG-CB 4.13Å; W130-P215 HydrophobicContact CZ2-CB 4.22Å; P215-A254 VanDerWaalsContact CG-O 3.32Å; P215-A254 WeakPolarHBondContact CG-O 3.35Å
216	G	80.8	Confident	86.4	Confident	21 Å²	21	22.5 Å²	22.5	22%	0.216	15%	0.15	C	C	.	.			trans	177.9	175	-178.6	0	0	0	0	0	113	F214 G220	F214-G216 PolarHBondContact O-N 2.87Å; G216-G220 WeakPolarHBondContact O-CA 3.41Å
217	P	74.4	Confident	87.1	Confident	132 Å²	132	22.5 Å²	22.5	86%	0.857	15%	0.146	S	C	*	.	S	Bend	trans	-73.4	155.8	175.6	31.6	-34.9	0	0	0	112.1	I219	P217-I219 PolarHBondContact O-N 3.04Å
218	G	79.3	Confident	87.5	Confident	49 Å²	49	25.1 Å²	25.1	51%	0.505	16%	0.157	S	C	.	.	S	Bend	trans	71.8	-124.3	-179.9	0	0	0	0	0	110.4	G220	G218-G220 PolarHBondContact O-N 3.19Å; G218-G220 VanDerWaalsContact O-N 3.08Å
219	I	74.8	Confident	87.9	Confident	90 Å²	90	25 Å²	25	46%	0.462	16%	0.157	S	C	.	.	S	Bend	trans	-71.6	2	-179.9	67.3	175.8	0	0	0	114.2	Y213 P217 G221 D222	Y213-I219 WeakPolarHBondContact CB-O 3.1Å; Y213-I219 HydrophobicContact CD1-CD1 4.05Å; Y213-I219 HydrophobicContact CD1-CG1 4.33Å; Y213-I219 HydrophobicContact CD2-CB 4.48Å; Y213-I219 HydrophobicContact CD2-CD1 4.24Å; Y213-I219 HydrophobicContact CD2-CG1 4.39Å; Y213-I219 HydrophobicContact CE1-CD1 3.7Å; Y213-I219 HydrophobicContact CE1-CG1 4.47Å; Y213-I219 HydrophobicContact CE2-CD1 3.91Å; Y213-I219 HydrophobicContact CG-CD1 4.31Å; Y213-I219 HydrophobicContact CG-CG1 4.29Å; P217-I219 PolarHBondContact O-N 3.04Å; I219-G221 PolarHBondContact O-N 3.26Å; I219-D222 WeakPolarHBondContact CA-OD2 3.27Å; I219-D222 WeakPolarHBondContact O-CB 3.36Å; I219-D222 PolarHBondContact O-N 2.98Å; I219-D222 VanDerWaalsContact O-N 3.11Å
220	G	80.4	Confident	87.9	Confident	8 Å²	8	27 Å²	27	8%	0.082	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	119.2	-177.7	0	0	0	0	0	110.8	W130 F214 G216 G218	W130-G220 WeakPolarHBondContact CH2-O 3.25Å; F214-G220 CarbonylContact O-C 3.57Å; F214-G220 WeakPolarHBondContact O-CA 3.26Å; G216-G220 WeakPolarHBondContact O-CA 3.41Å; G218-G220 PolarHBondContact O-N 3.19Å; G218-G220 VanDerWaalsContact O-N 3.08Å
221	G	85.5	Confident	88	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.5	-22	-172.2	0	0	0	0	0	114	I187 Y213 F214 I219 T223 A254	I187-G221 WeakPolarHBondContact CG2-O 3.16Å; Y213-G221 VanDerWaalsContact O-CA 3.23Å; Y213-G221 WeakPolarHBondContact O-CA 3.31Å; Y213-G221 PolarHBondContact O-N 3.28Å; Y213-G221 VanDerWaalsContact O-N 3.07Å; F214-G221 PolarHBondContact O-N 3.15Å; I219-G221 PolarHBondContact O-N 3.26Å; G221-T223 PolarHBondContact O-N 2.91Å; G221-T223 PolarHBondContact O-OG1 3.28Å; G221-A254 VanDerWaalsContact O-CB 3.27Å; G221-A254 WeakPolarHBondContact O-CB 3.39Å
222	D	89.4	Confident	88.2	Confident	18 Å²	18	28.2 Å²	28.2	10%	0.096	18%	0.177	C	C	.	.			trans	-60.3	138.5	-178.6	-72.2	-11.8	0	0	0	111.2	T188 A212 Y213 I219	T188-D222 WeakPolarHBondContact CA-OD1 3.4Å; T188-D222 WeakPolarHBondContact CB-OD1 3.42Å; T188-D222 PolarHBondContact N-OD1 3.22Å; T188-D222 WeakPolarHBondContact O-CA 3.44Å; T188-D222 PolarHBondContact OG1-OD1 2.99Å; A212-D222 CarbonylContact C-O 3.41Å; A212-D222 VanDerWaalsContact CA-O 3.28Å; A212-D222 WeakPolarHBondContact CA-O 3.3Å; Y213-D222 HydrophobicContact CD2-CB 4.37Å; Y213-D222 PolarHBondContact N-O 2.85Å; I219-D222 WeakPolarHBondContact CA-OD2 3.27Å; I219-D222 WeakPolarHBondContact O-CB 3.36Å; I219-D222 PolarHBondContact O-N 2.98Å; I219-D222 VanDerWaalsContact O-N 3.11Å
223	T	94.9	Very high	88	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	120.9	-173.6	-59.6	0	0	0	0	109.4	T188 I189 I190 A212 G221 F225 E250	T188-T223 PolarHBondContact O-N 3.48Å; I189-T223 WeakPolarHBondContact CA-O 3.17Å; I190-T223 PolarHBondContact N-O 3.34Å; A212-T223 HydrophobicContact CB-CG2 4.12Å; A212-T223 WeakPolarHBondContact CB-OG1 3.24Å; G221-T223 PolarHBondContact O-N 2.91Å; G221-T223 PolarHBondContact O-OG1 3.28Å; T223-F225 HydrophobicContact CG2-CD2 4.3Å; T223-F225 HydrophobicContact CG2-CE2 3.56Å; T223-F225 HydrophobicContact CG2-CZ 3.78Å; T223-E250 HydrophobicContact CG2-CB 3.45Å; T223-E250 VanDerWaalsContact CG2-CB 3.45Å; T223-E250 HydrophobicContact CG2-CG 4.17Å
224	H	92.5	Very high	87.4	Confident	9 Å²	9	29.7 Å²	29.7	4%	0.042	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.4	-177.3	-54	166.2	0	0	0	110.4	I190 H196 D198 F202 A210 H211	I190-H224 CarbonylContact O-C 3.57Å; I190-H224 VanDerWaalsContact O-CA 3.3Å; I190-H224 WeakPolarHBondContact O-CA 3.38Å; H196-H224 AromaticContact CD2-CE1 3.93Å; H196-H224 AromaticContact CD2-CG 3.9Å; H196-H224 AromaticContact CD2-ND1 3.19Å; H196-H224 PolarHBondContact CD2-ND1 2.98Å; H196-H224 AromaticContact NE2-CG 3.75Å; H196-H224 AromaticContact NE2-ND1 3.04Å; H196-H224 PolarHBondContact NE2-ND1 2.83Å; D198-H224 IonicContact OD2-CE1 3.68Å; D198-H224 PolarHBondContact OD2-CE1 2.7Å; D198-H224 IonicContact OD2-ND1 3.17Å; D198-H224 PolarHBondContact OD2-ND1 2.63Å; F202-H224 HydrophobicContact CE2-CB 4.16Å; F202-H224 HydrophobicContact CZ-CB 3.82Å; A210-H224 CarbonylContact C-O 3.55Å; A210-H224 WeakPolarHBondContact CA-O 2.9Å; A210-H224 VanDerWaalsContact CB-O 3.25Å; A210-H224 WeakPolarHBondContact CB-O 3.04Å; H211-H224 AromaticContact CD2-CG 3.88Å; H211-H224 AromaticContact CD2-ND1 3.84Å; H211-H224 PolarHBondContact N-O 2.87Å; H211-H224 AromaticContact NE2-CE1 3.96Å; H211-H224 AromaticContact NE2-CG 3.5Å; H211-H224 AromaticContact NE2-ND1 3.02Å; H211-H224 PolarHBondContact NE2-ND1 2.92Å; H211-H224 PolarHBondContact O-N 2.87Å
225	F	96	Very high	86.6	Confident	1 Å²	1	30 Å²	30	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.2	176.5	-63.3	-91.6	0	0	0	109.7	I155 I189 I190 F191 A192 A210 T223 S227 W231 L243 V246 A247 E250	I155-F225 HydrophobicContact CD1-CE2 4.14Å; I155-F225 HydrophobicContact CD1-CZ 4.03Å; I189-F225 HydrophobicContact CG2-CD2 3.99Å; I189-F225 HydrophobicContact CG2-CE2 3.69Å; I190-F225 PolarHBondContact O-N 3.15Å; F191-F225 WeakPolarHBondContact CA-O 3.46Å; F191-F225 HydrophobicContact CD1-CB 3.52Å; F191-F225 HydrophobicContact CD1-CG 4.26Å; F191-F225 HydrophobicContact CE1-CB 3.57Å; F191-F225 HydrophobicContact CE1-CD2 4.12Å; F191-F225 AromaticContact CE1-CG 3.84Å; F191-F225 HydrophobicContact CE1-CG 3.84Å; F191-F225 HydrophobicContact CE2-CD2 4.27Å; F191-F225 HydrophobicContact CG-CB 4.19Å; F191-F225 HydrophobicContact CZ-CB 4.29Å; F191-F225 AromaticContact CZ-CD2 3.98Å; F191-F225 HydrophobicContact CZ-CD2 3.98Å; F191-F225 HydrophobicContact CZ-CG 4.14Å; A192-F225 PolarHBondContact N-O 2.79Å; A210-F225 HydrophobicContact CB-CD1 3.77Å; A210-F225 HydrophobicContact CB-CE1 4.27Å; A210-F225 HydrophobicContact CB-CG 4.32Å; T223-F225 HydrophobicContact CG2-CD2 4.3Å; T223-F225 HydrophobicContact CG2-CE2 3.56Å; T223-F225 HydrophobicContact CG2-CZ 3.78Å; F225-S227 PolarHBondContact O-N 2.74Å; F225-W231 HydrophobicContact CB-CZ2 3.91Å; F225-W231 AromaticContact CD1-CH2 3.86Å; F225-W231 HydrophobicContact CD1-CH2 3.86Å; F225-W231 HydrophobicContact CD1-CZ2 4.05Å; F225-W231 HydrophobicContact CG-CZ2 4.48Å; F225-L243 HydrophobicContact CD1-CD1 3.9Å; F225-L243 HydrophobicContact CE1-CD1 3.96Å; F225-L243 HydrophobicContact CG-CD1 4.44Å; F225-V246 HydrophobicContact CD1-CG1 4.18Å; F225-V246 HydrophobicContact CE1-CB 4.4Å; F225-V246 HydrophobicContact CE1-CG1 3.97Å; F225-A247 HydrophobicContact CE1-CB 4.09Å; F225-A247 HydrophobicContact CZ-CB 3.78Å; F225-E250 HydrophobicContact CE1-CG 4.38Å
226	D	93.9	Very high	85.3	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	119.6	176.9	-170.2	-11.3	0	0	0	110	A192 F202 G204 L209 D228 E229 W231	A192-D226 CarbonylContact O-C 3.41Å; A192-D226 WeakPolarHBondContact O-CA 3.3Å; F202-D226 HydrophobicContact CB-CB 4.23Å; F202-D226 WeakPolarHBondContact CB-OD2 3.25Å; F202-D226 HydrophobicContact CD1-CB 3.63Å; F202-D226 HydrophobicContact CD2-CB 3.98Å; F202-D226 HydrophobicContact CE1-CB 3.92Å; F202-D226 HydrophobicContact CE2-CB 4.25Å; F202-D226 HydrophobicContact CG-CB 3.69Å; F202-D226 HydrophobicContact CZ-CB 4.23Å; G204-D226 PolarHBondContact N-OD2 3.48Å; L209-D226 WeakPolarHBondContact O-CB 3.46Å; L209-D226 PolarHBondContact O-N 3.17Å; D226-D228 PolarHBondContact O-N 3.13Å; D226-D228 WeakPolarHBondContact OD1-CB 3.32Å; D226-D228 PolarHBondContact OD1-N 2.94Å; D226-E229 HydrophobicContact CB-CG 3.82Å; D226-E229 PolarHBondContact O-N 2.04Å; D226-W231 PolarHBondContact O-NE1 2.63Å
227	S	93.1	Very high	84.6	Confident	29 Å²	29	40 Å²	40	20%	0.203	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-17.4	178.9	-64	0	0	0	0	113.3	K145 F191 A192 S193 F225 E229	K145-S227 PolarHBondContact NZ-O 3.11Å; F191-S227 WeakPolarHBondContact CB-OG 3.39Å; A192-S227 WeakPolarHBondContact CA-OG 3.31Å; A192-S227 PolarHBondContact N-OG 2.6Å; A192-S227 PolarHBondContact O-N 2.7Å; S193-S227 WeakPolarHBondContact OG-CB 3.35Å; F225-S227 PolarHBondContact O-N 2.74Å; S227-E229 VanDerWaalsContact C-N 3.34Å
228	D	91.4	Very high	84.4	Confident	66 Å²	66	38.5 Å²	38.5	35%	0.353	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-19.9	-178.4	-64.1	-18.1	0	0	0	112	K145 S193 D226	K145-D228 PolarHBondContact NZ-O 3.38Å; S193-D228 WeakPolarHBondContact CB-OD1 3.35Å; S193-D228 WeakPolarHBondContact CB-OD2 3.41Å; S193-D228 VanDerWaalsContact OG-CG 3.29Å; S193-D228 PolarHBondContact OG-OD1 3.34Å; D226-D228 PolarHBondContact O-N 3.13Å; D226-D228 WeakPolarHBondContact OD1-CB 3.32Å; D226-D228 PolarHBondContact OD1-N 2.94Å
229	E	93	Very high	84.1	Confident	2 Å²	2	41 Å²	41	1%	0.009	24%	0.237	C	C	.	.	S	Bend	trans	-69.1	141.7	-179.8	-67.8	-68.9	174.1	0	0	114.1	K145 G206 L209 D226 S227 W231 N241	K145-E229 WeakPolarHBondContact CD-O 3.4Å; K145-E229 WeakPolarHBondContact CE-O 3.47Å; K145-E229 VanDerWaalsContact NZ-C 3.32Å; K145-E229 PolarHBondContact NZ-O 3.48Å; G206-E229 WeakPolarHBondContact CA-OE1 3.33Å; G206-E229 VanDerWaalsContact N-CD 3.28Å; G206-E229 PolarHBondContact N-OE1 3.41Å; G206-E229 PolarHBondContact N-OE2 3.14Å; L209-E229 HydrophobicContact CD2-CG 3.85Å; L209-E229 VanDerWaalsContact CD2-OE1 3.29Å; L209-E229 WeakPolarHBondContact CD2-OE1 3.33Å; L209-E229 WeakPolarHBondContact CD2-OE2 3.46Å; D226-E229 HydrophobicContact CB-CG 3.82Å; D226-E229 PolarHBondContact O-N 2.04Å; S227-E229 VanDerWaalsContact C-N 3.34Å; E229-W231 HydrophobicContact CB-CD2 4.42Å; E229-W231 HydrophobicContact CB-CZ2 3.97Å; E229-W231 HydrophobicContact CG-CZ2 4.36Å; E229-W231 VanDerWaalsContact O-CD1 3.22Å; E229-W231 PolarHBondContact O-N 3.16Å; E229-N241 PolarHBondContact OE2-ND2 3.26Å
230	P	91.4	Very high	84.6	Confident	44 Å²	44	37.7 Å²	37.7	29%	0.286	23%	0.226	S	C	.	.			trans	-73.5	75.9	177.7	31	-36.2	0	0	0	111	G240 N241	P230-G240 WeakPolarHBondContact O-CA 3.25Å; P230-N241 PolarHBondContact O-N 2.83Å
231	W	93.9	Very high	85.1	Confident	6 Å²	6	37.9 Å²	37.9	2%	0.023	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	131.9	177.3	-64.7	109.8	0	0	0	111.9	T143 K145 V146 L209 F225 D226 E229 N241 L243 V246	T143-W231 HydrophobicContact CG2-CB 4.44Å; T143-W231 HydrophobicContact CG2-CG 4.41Å; K145-W231 HydrophobicContact CB-CB 4.28Å; V146-W231 HydrophobicContact CG1-CB 4.11Å; V146-W231 WeakPolarHBondContact CG1-O 3.42Å; L209-W231 HydrophobicContact CB-CH2 4.32Å; F225-W231 HydrophobicContact CB-CZ2 3.91Å; F225-W231 AromaticContact CD1-CH2 3.86Å; F225-W231 HydrophobicContact CD1-CH2 3.86Å; F225-W231 HydrophobicContact CD1-CZ2 4.05Å; F225-W231 HydrophobicContact CG-CZ2 4.48Å; D226-W231 PolarHBondContact O-NE1 2.63Å; E229-W231 HydrophobicContact CB-CD2 4.42Å; E229-W231 HydrophobicContact CB-CZ2 3.97Å; E229-W231 HydrophobicContact CG-CZ2 4.36Å; E229-W231 VanDerWaalsContact O-CD1 3.22Å; E229-W231 PolarHBondContact O-N 3.16Å; W231-N241 CarbonylContact C-O 3.55Å; W231-N241 WeakPolarHBondContact CA-O 3.19Å; W231-N241 HydrophobicContact CE3-CB 4.12Å; W231-N241 HydrophobicContact CZ3-CB 4.01Å; W231-L243 HydrophobicContact CD2-CD1 4.13Å; W231-L243 HydrophobicContact CE3-CB 3.91Å; W231-L243 HydrophobicContact CE3-CD1 3.85Å; W231-L243 HydrophobicContact CE3-CG 4.5Å; W231-L243 HydrophobicContact CZ3-CD1 4.09Å; W231-V246 HydrophobicContact CH2-CB 4.14Å; W231-V246 HydrophobicContact CH2-CG1 3.94Å; W231-V246 HydrophobicContact CH2-CG2 4.21Å; W231-V246 HydrophobicContact CZ3-CB 3.86Å; W231-V246 HydrophobicContact CZ3-CG1 4.2Å; W231-V246 HydrophobicContact CZ3-CG2 3.76Å
232	T	92.6	Very high	85.5	Confident	28 Å²	28	38 Å²	38	17%	0.172	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	170.3	177.1	63.1	0	0	0	0	110.7	D239 N241 D242 L243	T232-D239 WeakPolarHBondContact CG2-O 3.41Å; T232-N241 PolarHBondContact N-O 2.8Å; T232-N241 PolarHBondContact OG1-O 2.98Å; T232-D242 WeakPolarHBondContact O-CA 3.19Å; T232-L243 PolarHBondContact O-N 3.49Å
233	L	88.7	Confident	85.8	Confident	48 Å²	48	37.1 Å²	37.1	25%	0.251	22%	0.221	S	C	.	.	S	Bend	trans	-139.8	126.2	172.1	-74.5	170.6	0	0	0	109.8	V146 E150 A154 N235 L243 F244	V146-L233 HydrophobicContact CB-CD1 4.05Å; V146-L233 HydrophobicContact CB-CG 4.4Å; V146-L233 HydrophobicContact CG1-CD1 4.3Å; V146-L233 HydrophobicContact CG1-CG 4.09Å; V146-L233 HydrophobicContact CG2-CD1 4.38Å; E150-L233 HydrophobicContact CB-CD1 3.64Å; A154-L233 HydrophobicContact CB-CD1 4.19Å; A154-L233 HydrophobicContact CB-CD2 3.7Å; L233-N235 PolarHBondContact O-N 2.92Å; L233-N235 VanDerWaalsContact O-N 3.11Å; L233-L243 HydrophobicContact CD2-CB 4.06Å; L233-F244 HydrophobicContact CD2-CB 4.08Å
234	G	71.4	Confident	85.9	Confident	41 Å²	41	37.4 Å²	37.4	42%	0.423	22%	0.222	S	C	.	.	S	Bend	trans	60.4	25.5	173.2	0	0	0	0	0	114	P236 D242	G234-P236 WeakPolarHBondContact O-CD 3.26Å; G234-D242 PolarHBondContact N-OD2 2.94Å
235	N	71.3	Confident	86	Confident	31 Å²	31	37.1 Å²	37.1	17%	0.166	22%	0.22	C	C	.	.			trans	-68.3	117.9	-174.8	-174.2	-10.4	0	0	0	110.9	L233 N237 H238 D239	L233-N235 PolarHBondContact O-N 2.92Å; L233-N235 VanDerWaalsContact O-N 3.11Å; N235-N237 PolarHBondContact O-N 3.11Å; N235-N237 PolarHBondContact OD1-N 3.23Å; N235-H238 PolarHBondContact O-N 3.48Å; N235-H238 VanDerWaalsContact O-N 3.17Å; N235-H238 PolarHBondContact O-ND1 2.86Å; N235-D239 PolarHBondContact ND2-O 2.91Å; N235-D239 PolarHBondContact ND2-OD1 2.78Å; N235-D239 PolarHBondContact OD1-OD1 2.76Å
236	P	63	Low	86.1	Confident	108 Å²	108	37.4 Å²	37.4	70%	0.701	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-26.9	-178.5	-18.9	30.6	0	0	0	113.9	G234 H238	G234-P236 WeakPolarHBondContact O-CD 3.26Å; P236-H238 VanDerWaalsContact C-N 3.33Å
237	N	66.5	Low	86.3	Confident	130 Å²	130	37.4 Å²	37.4	70%	0.695	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-9	-178	-67	-28.2	0	0	0	112.1	N235 D239	N235-N237 PolarHBondContact O-N 3.11Å; N235-N237 PolarHBondContact OD1-N 3.23Å; N237-D239 WeakPolarHBondContact CB-OD1 3.3Å; N237-D239 PolarHBondContact O-N 3.08Å; N237-D239 VanDerWaalsContact O-N 3.09Å
238	H	70.4	Confident	86.5	Confident	100 Å²	100	36 Å²	36	46%	0.463	21%	0.213	S	C	.	.			trans	52.3	26.1	-177.5	-48	-52.8	0	0	0	113.8	N235 P236 Y273	N235-H238 PolarHBondContact O-N 3.48Å; N235-H238 VanDerWaalsContact O-N 3.17Å; N235-H238 PolarHBondContact O-ND1 2.86Å; P236-H238 VanDerWaalsContact C-N 3.33Å; H238-Y273 AromaticContact CE1-CD1 3.57Å; H238-Y273 AromaticContact CE1-CE1 3.09Å; H238-Y273 WeakPolarHBondContact CE1-CE1 3.38Å; H238-Y273 AromaticContact CE1-CE2 3.77Å; H238-Y273 AromaticContact CE1-CZ 3.2Å; H238-Y273 AromaticContact ND1-CD1 3.67Å; H238-Y273 AromaticContact ND1-CD2 3.57Å; H238-Y273 AromaticContact ND1-CE1 3.51Å; H238-Y273 AromaticContact ND1-CE2 3.39Å; H238-Y273 WeakPolarHBondContact ND1-CE2 3.34Å; H238-Y273 AromaticContact ND1-CG 3.7Å; H238-Y273 AromaticContact ND1-CZ 3.36Å; H238-Y273 AromaticContact NE2-CE1 3.83Å
239	D	72.3	Confident	86.8	Confident	101 Å²	101	33.4 Å²	33.4	54%	0.54	20%	0.198	S	C	.	.			trans	-84.2	108.5	169.7	55.9	-34.8	0	0	0	109.3	T232 N235 N237	T232-D239 WeakPolarHBondContact CG2-O 3.41Å; N235-D239 PolarHBondContact ND2-O 2.91Å; N235-D239 PolarHBondContact ND2-OD1 2.78Å; N235-D239 PolarHBondContact OD1-OD1 2.76Å; N237-D239 WeakPolarHBondContact CB-OD1 3.3Å; N237-D239 PolarHBondContact O-N 3.08Å; N237-D239 VanDerWaalsContact O-N 3.09Å
240	G	84.1	Confident	87	Confident	22 Å²	22	33.4 Å²	33.4	23%	0.227	20%	0.198	C	C	.	.	S	Bend	trans	113.4	-178.5	-176.7	0	0	0	0	0	113.6	P230	P230-G240 WeakPolarHBondContact O-CA 3.25Å
241	N	91.1	Very high	87.3	Confident	11 Å²	11	31.4 Å²	31.4	6%	0.059	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.6	-177.3	-57	-57.3	0	0	0	109.6	L209 E229 P230 W231 T232 L243	L209-N241 HydrophobicContact CD1-CB 4.32Å; L209-N241 HydrophobicContact CD2-CB 4.49Å; L209-N241 VanDerWaalsContact CD2-ND2 3.32Å; L209-N241 WeakPolarHBondContact CD2-ND2 3.39Å; E229-N241 PolarHBondContact OE2-ND2 3.26Å; P230-N241 PolarHBondContact O-N 2.83Å; W231-N241 CarbonylContact C-O 3.55Å; W231-N241 WeakPolarHBondContact CA-O 3.19Å; W231-N241 HydrophobicContact CE3-CB 4.12Å; W231-N241 HydrophobicContact CZ3-CB 4.01Å; T232-N241 PolarHBondContact N-O 2.8Å; T232-N241 PolarHBondContact OG1-O 2.98Å; N241-L243 PolarHBondContact O-N 3.45Å
242	D	94.4	Very high	87.4	Confident	3 Å²	3	31.1 Å²	31.1	2%	0.016	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	115.7	179.8	-172.6	-72.3	0	0	0	109.7	T232 G234 F244 L245 V246 Y271	T232-D242 WeakPolarHBondContact O-CA 3.19Å; G234-D242 PolarHBondContact N-OD2 2.94Å; D242-F244 VanDerWaalsContact C-N 3.27Å; D242-F244 PolarHBondContact O-N 2.86Å; D242-F244 WeakPolarHBondContact OD1-CA 3.35Å; D242-F244 WeakPolarHBondContact OD1-CB 3.45Å; D242-F244 PolarHBondContact OD1-N 3.4Å; D242-L245 HydrophobicContact CB-CB 4.33Å; D242-L245 HydrophobicContact CB-CD1 4.02Å; D242-L245 HydrophobicContact CB-CG 4.11Å; D242-L245 PolarHBondContact O-N 3.02Å; D242-L245 PolarHBondContact OD1-N 3.46Å; D242-L245 VanDerWaalsContact OD1-N 3.16Å; D242-V246 PolarHBondContact O-N 2.92Å; D242-V246 VanDerWaalsContact O-N 3.16Å; D242-Y271 WeakPolarHBondContact CB-OH 3.48Å; D242-Y271 PolarHBondContact N-OH 3.44Å
243	L	95.8	Very high	87.4	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62	-35.1	-174.8	176.4	62.1	0	0	0	112.3	T143 V146 T151 A154 F191 F225 W231 T232 L233 N241 A247	T143-L243 HydrophobicContact CG2-CD2 4.08Å; V146-L243 HydrophobicContact CG2-CD2 3.91Å; T151-L243 HydrophobicContact CG2-CD2 4.1Å; A154-L243 HydrophobicContact CB-CD2 4.39Å; A154-L243 HydrophobicContact CB-CG 4.49Å; F191-L243 HydrophobicContact CE1-CD1 3.77Å; F191-L243 HydrophobicContact CE1-CD2 4.38Å; F191-L243 HydrophobicContact CZ-CD1 3.86Å; F191-L243 HydrophobicContact CZ-CD2 4.12Å; F225-L243 HydrophobicContact CD1-CD1 3.9Å; F225-L243 HydrophobicContact CE1-CD1 3.96Å; F225-L243 HydrophobicContact CG-CD1 4.44Å; W231-L243 HydrophobicContact CD2-CD1 4.13Å; W231-L243 HydrophobicContact CE3-CB 3.91Å; W231-L243 HydrophobicContact CE3-CD1 3.85Å; W231-L243 HydrophobicContact CE3-CG 4.5Å; W231-L243 HydrophobicContact CZ3-CD1 4.09Å; T232-L243 PolarHBondContact O-N 3.49Å; L233-L243 HydrophobicContact CD2-CB 4.06Å; N241-L243 PolarHBondContact O-N 3.45Å; L243-A247 WeakPolarHBondContact O-CB 3.22Å; L243-A247 PolarHBondContact O-N 2.89Å
244	F	96.6	Very high	87.8	Confident	6 Å²	6	27.5 Å²	27.5	3%	0.026	16%	0.164	C	C	.	.	H	α-helix	trans	-66.7	-44.1	179.6	160.6	-98.4	0	0	0	110.9	A154 R157 A158 V161 L233 D242 A247 V248 T276 F279	A154-F244 HydrophobicContact CB-CB 4.21Å; R157-F244 HydrophobicContact CB-CD2 3.86Å; R157-F244 HydrophobicContact CB-CE2 3.71Å; A158-F244 HydrophobicContact CB-CD2 4.28Å; A158-F244 HydrophobicContact CB-CE2 4.44Å; V161-F244 HydrophobicContact CG2-CE2 4.06Å; V161-F244 HydrophobicContact CG2-CZ 3.91Å; L233-F244 HydrophobicContact CD2-CB 4.08Å; D242-F244 VanDerWaalsContact C-N 3.27Å; D242-F244 PolarHBondContact O-N 2.86Å; D242-F244 WeakPolarHBondContact OD1-CA 3.35Å; D242-F244 WeakPolarHBondContact OD1-CB 3.45Å; D242-F244 PolarHBondContact OD1-N 3.4Å; F244-A247 PolarHBondContact O-N 3.14Å; F244-V248 HydrophobicContact CD2-CG2 4.19Å; F244-V248 HydrophobicContact CE1-CG2 4.37Å; F244-V248 HydrophobicContact CE2-CG2 3.77Å; F244-V248 HydrophobicContact CZ-CG2 3.88Å; F244-V248 VanDerWaalsContact O-CG2 3.31Å; F244-V248 WeakPolarHBondContact O-CG2 3.29Å; F244-V248 PolarHBondContact O-N 3.15Å; F244-T276 HydrophobicContact CD1-CG2 3.8Å; F244-T276 HydrophobicContact CE1-CG2 4.27Å; F244-F279 HydrophobicContact CE1-CB 3.79Å; F244-F279 HydrophobicContact CE1-CD1 4.16Å; F244-F279 HydrophobicContact CE1-CD2 4.04Å; F244-F279 AromaticContact CE1-CG 3.71Å; F244-F279 HydrophobicContact CE1-CG 3.71Å; F244-F279 HydrophobicContact CZ-CB 3.94Å; F244-F279 AromaticContact CZ-CD1 3.9Å; F244-F279 HydrophobicContact CZ-CD1 3.9Å; F244-F279 AromaticContact CZ-CG 3.88Å; F244-F279 HydrophobicContact CZ-CG 3.88Å
245	L	95.9	Very high	88.9	Confident	2 Å²	2	25.5 Å²	25.5	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-64.3	-45.6	179	-64.9	179.9	0	0	0	112.3	D242 A247 V248 H249 Y271 Y273 M274 T276 F279	D242-L245 HydrophobicContact CB-CB 4.33Å; D242-L245 HydrophobicContact CB-CD1 4.02Å; D242-L245 HydrophobicContact CB-CG 4.11Å; D242-L245 PolarHBondContact O-N 3.02Å; D242-L245 PolarHBondContact OD1-N 3.46Å; D242-L245 VanDerWaalsContact OD1-N 3.16Å; L245-A247 VanDerWaalsContact C-N 3.33Å; L245-A247 PolarHBondContact O-N 3.24Å; L245-V248 PolarHBondContact O-N 3.36Å; L245-H249 PolarHBondContact O-N 3.25Å; L245-H249 VanDerWaalsContact O-N 3.14Å; L245-Y271 HydrophobicContact CB-CE2 4.38Å; L245-Y273 HydrophobicContact CD1-CD2 4.02Å; L245-Y273 HydrophobicContact CD1-CE2 4.44Å; L245-M274 HydrophobicContact CD1-CB 4.23Å; L245-M274 VanDerWaalsContact CD1-N 3.25Å; L245-M274 HydrophobicContact CD2-CB 3.92Å; L245-T276 HydrophobicContact CD1-CG2 4.23Å; L245-T276 HydrophobicContact CD2-CG2 3.96Å; L245-T276 HydrophobicContact CG-CG2 3.92Å; L245-F279 HydrophobicContact CD2-CD2 3.77Å; L245-F279 HydrophobicContact CD2-CE2 3.66Å
246	V	96.8	Very high	89.8	Confident	7 Å²	7	24 Å²	24	4%	0.042	14%	0.136	C	C	.	.	H	α-helix	trans	-64.2	-41.6	177.3	-177.8	0	0	0	0	110.2	L209 A210 F225 W231 D242 V248 H249 E250 Y271	L209-V246 HydrophobicContact CB-CG1 4.45Å; L209-V246 HydrophobicContact CD1-CG2 3.81Å; A210-V246 HydrophobicContact CB-CG1 3.66Å; F225-V246 HydrophobicContact CD1-CG1 4.18Å; F225-V246 HydrophobicContact CE1-CB 4.4Å; F225-V246 HydrophobicContact CE1-CG1 3.97Å; W231-V246 HydrophobicContact CH2-CB 4.14Å; W231-V246 HydrophobicContact CH2-CG1 3.94Å; W231-V246 HydrophobicContact CH2-CG2 4.21Å; W231-V246 HydrophobicContact CZ3-CB 3.86Å; W231-V246 HydrophobicContact CZ3-CG1 4.2Å; W231-V246 HydrophobicContact CZ3-CG2 3.76Å; D242-V246 PolarHBondContact O-N 2.92Å; D242-V246 VanDerWaalsContact O-N 3.16Å; V246-V248 PolarHBondContact O-N 2.95Å; V246-H249 WeakPolarHBondContact O-CB 3.36Å; V246-H249 PolarHBondContact O-N 2.99Å; V246-H249 VanDerWaalsContact O-N 3.14Å; V246-E250 HydrophobicContact CG1-CG 4.06Å; V246-E250 WeakPolarHBondContact O-CG 3.32Å; V246-E250 PolarHBondContact O-N 2.87Å; V246-Y271 HydrophobicContact CG2-CD2 3.77Å; V246-Y271 HydrophobicContact CG2-CE2 3.89Å
247	A	97.7	Very high	91.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.6	-40.1	175.9	0	0	0	0	0	113.1	I155 A158 F225 L243 F244 L245 H249 L251	I155-A247 HydrophobicContact CD1-CB 3.57Å; A158-A247 HydrophobicContact CB-CB 3.82Å; F225-A247 HydrophobicContact CE1-CB 4.09Å; F225-A247 HydrophobicContact CZ-CB 3.78Å; L243-A247 WeakPolarHBondContact O-CB 3.22Å; L243-A247 PolarHBondContact O-N 2.89Å; F244-A247 PolarHBondContact O-N 3.14Å; L245-A247 VanDerWaalsContact C-N 3.33Å; L245-A247 PolarHBondContact O-N 3.24Å; A247-H249 VanDerWaalsContact C-N 3.3Å; A247-H249 PolarHBondContact O-N 2.91Å; A247-L251 VanDerWaalsContact O-CB 3.26Å; A247-L251 WeakPolarHBondContact O-CB 3.05Å; A247-L251 WeakPolarHBondContact O-CG 3.42Å; A247-L251 PolarHBondContact O-N 3.41Å
248	V	97.9	Very high	92.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60	-43.7	174.6	174.7	0	0	0	0	110.6	A158 V161 W162 F244 L245 V246 G252 I266 F279 L281	A158-V248 HydrophobicContact CB-CG2 3.69Å; V161-V248 HydrophobicContact CB-CG2 4.47Å; V161-V248 HydrophobicContact CG1-CG1 4.1Å; V161-V248 HydrophobicContact CG2-CG2 4.29Å; W162-V248 HydrophobicContact CZ2-CG1 4.1Å; W162-V248 WeakPolarHBondContact CZ2-O 3.43Å; W162-V248 PolarHBondContact NE1-O 3.14Å; F244-V248 HydrophobicContact CD2-CG2 4.19Å; F244-V248 HydrophobicContact CE1-CG2 4.37Å; F244-V248 HydrophobicContact CE2-CG2 3.77Å; F244-V248 HydrophobicContact CZ-CG2 3.88Å; F244-V248 VanDerWaalsContact O-CG2 3.31Å; F244-V248 WeakPolarHBondContact O-CG2 3.29Å; F244-V248 PolarHBondContact O-N 3.15Å; L245-V248 PolarHBondContact O-N 3.36Å; V246-V248 PolarHBondContact O-N 2.95Å; V248-G252 PolarHBondContact O-N 3.21Å; V248-I266 HydrophobicContact CB-CG1 4.21Å; V248-I266 HydrophobicContact CG1-CG1 3.82Å; V248-I266 HydrophobicContact CG1-CG2 4.09Å; V248-F279 HydrophobicContact CG1-CE1 4.01Å; V248-F279 HydrophobicContact CG1-CZ 4.07Å; V248-F279 HydrophobicContact CG2-CE1 4.42Å; V248-L281 HydrophobicContact CG1-CD2 4.16Å
249	H	97.4	Very high	93.2	Very high	12 Å²	12	10.8 Å²	10.8	6%	0.056	6%	0.061	C	C	.	.	H	α-helix	trans	-60.4	-56.9	176.8	-178.7	107.7	0	0	0	111.8	C104 L245 V246 A247 L251 G252 H253 H259 I266 M267 A268	C104-H249 VanDerWaalsContact CB-NE2 3.31Å; C104-H249 WeakPolarHBondContact CB-NE2 3.42Å; L245-H249 PolarHBondContact O-N 3.25Å; L245-H249 VanDerWaalsContact O-N 3.14Å; V246-H249 WeakPolarHBondContact O-CB 3.36Å; V246-H249 PolarHBondContact O-N 2.99Å; V246-H249 VanDerWaalsContact O-N 3.14Å; A247-H249 VanDerWaalsContact C-N 3.3Å; A247-H249 PolarHBondContact O-N 2.91Å; H249-L251 VanDerWaalsContact C-N 3.31Å; H249-L251 PolarHBondContact O-N 2.79Å; H249-G252 WeakPolarHBondContact O-CA 3.43Å; H249-G252 PolarHBondContact O-N 2.85Å; H249-H253 AromaticContact CD2-CD2 3.86Å; H249-H253 AromaticContact CD2-NE2 3.77Å; H249-H253 AromaticContact NE2-CD2 3.78Å; H249-H253 AromaticContact NE2-NE2 3.19Å; H249-H253 PolarHBondContact NE2-NE2 3.46Å; H249-H253 VanDerWaalsContact NE2-NE2 3.19Å; H249-H253 PolarHBondContact O-N 3.43Å; H249-H259 AromaticContact CE1-CD2 3.62Å; H249-H259 AromaticContact CE1-NE2 3.76Å; H249-H259 AromaticContact NE2-CD2 3.48Å; H249-H259 PolarHBondContact NE2-CD2 2.95Å; H249-H259 AromaticContact NE2-NE2 3.31Å; H249-H259 PolarHBondContact NE2-NE2 3.44Å; H249-I266 HydrophobicContact CB-CG1 4.32Å; H249-I266 PolarHBondContact ND1-O 3.32Å; H249-M267 VanDerWaalsContact CE1-C 3.49Å; H249-M267 WeakPolarHBondContact O-CE 3.42Å; H249-A268 PolarHBondContact CE1-O 2.83Å; H249-A268 PolarHBondContact ND1-O 2.83Å
250	E	97	Very high	93.8	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.009	4%	0.038	C	C	.	.	H	α-helix	trans	-64.1	-37.1	-175.1	-59.5	-49.9	143.3	0	0	112.1	C104 A210 H211 A212 T223 F225 V246 G252 H253 A254	C104-E250 WeakPolarHBondContact CB-OE1 3.34Å; C104-E250 PolarHBondContact SG-OE1 3.07Å; C104-E250 PolarHBondContact SG-OE2 2.71Å; A210-E250 HydrophobicContact CB-CG 3.58Å; H211-E250 WeakPolarHBondContact CA-OE2 3.4Å; A212-E250 HydrophobicContact CB-CB 4.03Å; A212-E250 VanDerWaalsContact CB-O 3.23Å; A212-E250 WeakPolarHBondContact CB-O 3.35Å; A212-E250 PolarHBondContact N-OE2 2.85Å; T223-E250 HydrophobicContact CG2-CB 3.45Å; T223-E250 VanDerWaalsContact CG2-CB 3.45Å; T223-E250 HydrophobicContact CG2-CG 4.17Å; F225-E250 HydrophobicContact CE1-CG 4.38Å; V246-E250 HydrophobicContact CG1-CG 4.06Å; V246-E250 WeakPolarHBondContact O-CG 3.32Å; V246-E250 PolarHBondContact O-N 2.87Å; E250-G252 PolarHBondContact O-N 3.44Å; E250-H253 WeakPolarHBondContact O-CA 3.49Å; E250-H253 WeakPolarHBondContact O-CB 3.4Å; E250-H253 PolarHBondContact O-N 2.85Å; E250-H253 IonicContact OE2-CD2 3.21Å; E250-A254 PolarHBondContact O-N 2.98Å
251	L	97.8	Very high	93.6	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.005	5%	0.048	C	C	.	.	H	α-helix	trans	-64.3	-27.4	173.6	-69.2	177.8	0	0	0	112.2	A158 F159 I187 A247 H249 H253 A254 L255	A158-L251 HydrophobicContact CB-CD1 3.8Å; F159-L251 HydrophobicContact CD1-CD1 3.91Å; F159-L251 HydrophobicContact CD1-CD2 4.48Å; F159-L251 HydrophobicContact CD2-CD1 3.89Å; F159-L251 HydrophobicContact CE1-CD1 3.91Å; F159-L251 HydrophobicContact CE1-CD2 3.66Å; F159-L251 HydrophobicContact CE1-CG 4.37Å; F159-L251 HydrophobicContact CE2-CD1 3.87Å; F159-L251 HydrophobicContact CE2-CD2 4.08Å; F159-L251 HydrophobicContact CG-CD1 3.91Å; F159-L251 HydrophobicContact CZ-CD1 3.89Å; F159-L251 HydrophobicContact CZ-CD2 3.43Å; F159-L251 VanDerWaalsContact CZ-CD2 3.43Å; F159-L251 HydrophobicContact CZ-CG 4.32Å; I187-L251 HydrophobicContact CG2-CD2 4.37Å; A247-L251 VanDerWaalsContact O-CB 3.26Å; A247-L251 WeakPolarHBondContact O-CB 3.05Å; A247-L251 WeakPolarHBondContact O-CG 3.42Å; A247-L251 PolarHBondContact O-N 3.41Å; H249-L251 VanDerWaalsContact C-N 3.31Å; H249-L251 PolarHBondContact O-N 2.79Å; L251-H253 VanDerWaalsContact C-N 3.32Å; L251-H253 PolarHBondContact O-N 2.75Å; L251-A254 HydrophobicContact CD2-CB 4.44Å; L251-A254 PolarHBondContact O-N 2.77Å; L251-L255 WeakPolarHBondContact O-CB 3.31Å; L251-L255 WeakPolarHBondContact O-CG 3.41Å; L251-L255 PolarHBondContact O-N 3.47Å
252	G	96.3	Very high	93.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61	-40.8	170.1	0	0	0	0	0	112.3	V248 H249 E250 L255 G256 L257	V248-G252 PolarHBondContact O-N 3.21Å; H249-G252 WeakPolarHBondContact O-CA 3.43Å; H249-G252 PolarHBondContact O-N 2.85Å; E250-G252 PolarHBondContact O-N 3.44Å; G252-L255 CarbonylContact O-C 3.53Å; G252-L255 PolarHBondContact O-N 3.05Å; G252-G256 PolarHBondContact O-N 3.43Å; G252-G256 VanDerWaalsContact O-N 3.11Å; G252-L257 VanDerWaalsContact O-CB 3.3Å; G252-L257 WeakPolarHBondContact O-CB 3.09Å; G252-L257 PolarHBondContact O-N 3.48Å
253	H	94.2	Very high	92.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.7	-46.6	171.1	-69.2	-44.4	0	0	0	112.1	A212 F214 H249 E250 L251 L255 G256 L257 H259 M267	A212-H253 HydrophobicContact CB-CB 3.88Å; F214-H253 HydrophobicContact CD1-CB 4.46Å; F214-H253 VanDerWaalsContact CD1-O 3.32Å; F214-H253 WeakPolarHBondContact CD1-O 3.34Å; F214-H253 HydrophobicContact CE1-CB 4.13Å; F214-H253 AromaticContact CE1-ND1 3.71Å; H249-H253 AromaticContact CD2-CD2 3.86Å; H249-H253 AromaticContact CD2-NE2 3.77Å; H249-H253 AromaticContact NE2-CD2 3.78Å; H249-H253 AromaticContact NE2-NE2 3.19Å; H249-H253 PolarHBondContact NE2-NE2 3.46Å; H249-H253 VanDerWaalsContact NE2-NE2 3.19Å; H249-H253 PolarHBondContact O-N 3.43Å; E250-H253 WeakPolarHBondContact O-CA 3.49Å; E250-H253 WeakPolarHBondContact O-CB 3.4Å; E250-H253 PolarHBondContact O-N 2.85Å; E250-H253 IonicContact OE2-CD2 3.21Å; L251-H253 VanDerWaalsContact C-N 3.32Å; L251-H253 PolarHBondContact O-N 2.75Å; H253-L255 PolarHBondContact O-N 3.45Å; H253-G256 WeakPolarHBondContact O-CA 3.08Å; H253-G256 PolarHBondContact O-N 3.25Å; H253-L257 WeakPolarHBondContact CA-O 3.23Å; H253-L257 PolarHBondContact ND1-O 2.8Å; H253-H259 AromaticContact CE1-CD2 3.45Å; H253-H259 PolarHBondContact CE1-CD2 2.96Å; H253-H259 VanDerWaalsContact CE1-CD2 3.45Å; H253-H259 AromaticContact CE1-NE2 3.82Å; H253-H259 AromaticContact NE2-CD2 3.34Å; H253-H259 PolarHBondContact NE2-CD2 3.35Å; H253-H259 VanDerWaalsContact NE2-CD2 3.34Å; H253-H259 AromaticContact NE2-NE2 3.28Å; H253-H259 PolarHBondContact NE2-NE2 3.19Å; H253-M267 WeakPolarHBondContact CE1-CE 3.15Å; H253-M267 WeakPolarHBondContact ND1-CE 3.36Å
254	A	95.3	Very high	91.9	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-58.6	-21.2	175.1	0	0	0	0	0	113.1	W130 I187 A212 Y213 P215 G221 E250 L251	W130-A254 PolarHBondContact NE1-O 3.08Å; I187-A254 HydrophobicContact CD1-CB 3.98Å; I187-A254 HydrophobicContact CG1-CB 4.42Å; A212-A254 HydrophobicContact CB-CB 4.46Å; Y213-A254 WeakPolarHBondContact O-CA 3.43Å; P215-A254 VanDerWaalsContact CG-O 3.32Å; P215-A254 WeakPolarHBondContact CG-O 3.35Å; G221-A254 VanDerWaalsContact O-CB 3.27Å; G221-A254 WeakPolarHBondContact O-CB 3.39Å; E250-A254 PolarHBondContact O-N 2.98Å; L251-A254 HydrophobicContact CD2-CB 4.44Å; L251-A254 PolarHBondContact O-N 2.77Å
255	L	95.7	Very high	91.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-7.4	174.4	-66.7	175.6	0	0	0	114.2	I135 W162 L168 F170 L251 G252 H253 I289 Y293	I135-L255 HydrophobicContact CD1-CD2 3.79Å; W162-L255 HydrophobicContact CB-CD1 3.7Å; W162-L255 HydrophobicContact CD2-CD1 3.98Å; W162-L255 HydrophobicContact CG-CD1 3.6Å; L168-L255 HydrophobicContact CD1-CD2 3.72Å; F170-L255 HydrophobicContact CE1-CD2 3.92Å; F170-L255 HydrophobicContact CZ-CD1 4.08Å; F170-L255 HydrophobicContact CZ-CD2 3.87Å; L251-L255 WeakPolarHBondContact O-CB 3.31Å; L251-L255 WeakPolarHBondContact O-CG 3.41Å; L251-L255 PolarHBondContact O-N 3.47Å; G252-L255 CarbonylContact O-C 3.53Å; G252-L255 PolarHBondContact O-N 3.05Å; H253-L255 PolarHBondContact O-N 3.45Å; L255-I289 HydrophobicContact CB-CD1 3.74Å; L255-I289 HydrophobicContact CD1-CD1 4.05Å; L255-Y293 HydrophobicContact CB-CE2 4.17Å; L255-Y293 WeakPolarHBondContact O-CE2 3.39Å; L255-Y293 PolarHBondContact O-OH 3.03Å
256	G	89.4	Confident	91.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.5	6.8	171.6	0	0	0	0	0	115.9	T126 G252 H253	T126-G256 PolarHBondContact N-O 2.81Å; T126-G256 PolarHBondContact OG1-O 3.27Å; T126-G256 VanDerWaalsContact OG1-O 3.06Å; G252-G256 PolarHBondContact O-N 3.43Å; G252-G256 VanDerWaalsContact O-N 3.11Å; H253-G256 WeakPolarHBondContact O-CA 3.08Å; H253-G256 PolarHBondContact O-N 3.25Å
257	L	92.1	Very high	91.4	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.026	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-77	138.1	172	-59.3	174.7	0	0	0	110.6	A124 L125 W162 F214 G252 H253 M267 I289 I292	A124-L257 CarbonylContact O-C 3.59Å; A124-L257 WeakPolarHBondContact O-CA 3.48Å; L125-L257 HydrophobicContact CD2-CD2 3.95Å; W162-L257 HydrophobicContact CH2-CD1 3.41Å; W162-L257 VanDerWaalsContact CH2-CD1 3.41Å; W162-L257 HydrophobicContact CZ2-CD1 4.22Å; W162-L257 HydrophobicContact CZ3-CD1 3.74Å; F214-L257 VanDerWaalsContact CE1-O 3.31Å; F214-L257 WeakPolarHBondContact CE1-O 3.45Å; G252-L257 VanDerWaalsContact O-CB 3.3Å; G252-L257 WeakPolarHBondContact O-CB 3.09Å; G252-L257 PolarHBondContact O-N 3.48Å; H253-L257 WeakPolarHBondContact CA-O 3.23Å; H253-L257 PolarHBondContact ND1-O 2.8Å; L257-M267 HydrophobicContact CB-CE 4.09Å; L257-M267 HydrophobicContact CB-CG 4.19Å; L257-M267 HydrophobicContact CB-SD 4.39Å; L257-M267 HydrophobicContact CD1-CG 3.89Å; L257-M267 HydrophobicContact CD1-SD 4.25Å; L257-I289 HydrophobicContact CD1-CB 4.25Å; L257-I289 HydrophobicContact CD1-CD1 4.12Å; L257-I289 HydrophobicContact CD2-CB 4.48Å; L257-I289 HydrophobicContact CD2-CD1 4.45Å; L257-I289 HydrophobicContact CG-CD1 4.13Å; L257-I292 HydrophobicContact CD2-CD1 3.88Å; L257-I292 HydrophobicContact CG-CD1 4.41Å
258	E	89.9	Confident	91.1	Very high	46 Å²	46	20.2 Å²	20.2	22%	0.215	12%	0.116	C	C	.	.			trans	-89.2	177.3	168.9	-65.7	174.4	167	0	0	110.3	L110 A124 T126 F214 S260	L110-E258 HydrophobicContact CD1-CG 3.65Å; L110-E258 WeakPolarHBondContact CD1-OE1 3.26Å; A124-E258 VanDerWaalsContact CB-C 3.44Å; A124-E258 HydrophobicContact CB-CB 3.63Å; A124-E258 WeakPolarHBondContact CB-O 3.26Å; A124-E258 PolarHBondContact O-N 3.17Å; T126-E258 VanDerWaalsContact CA-OE1 3.25Å; T126-E258 WeakPolarHBondContact CA-OE1 3.43Å; T126-E258 HydrophobicContact CG2-CG 3.34Å; F214-E258 HydrophobicContact CZ-CG 4.42Å; E258-S260 PolarHBondContact O-N 3.04Å
259	H	89.1	Confident	90.7	Very high	9 Å²	9	20.8 Å²	20.8	4%	0.042	12%	0.119	C	C	.	.			trans	-60.7	127.8	170.6	-75.4	152.8	0	0	0	111.9	C104 V106 D108 A124 H249 H253 M267	C104-H259 WeakPolarHBondContact CB-NE2 3.47Å; V106-H259 PolarHBondContact O-CE1 2.94Å; V106-H259 PolarHBondContact O-ND1 3.32Å; D108-H259 IonicContact OD1-CE1 2.74Å; D108-H259 IonicContact OD1-CG 2.92Å; D108-H259 IonicContact OD1-ND1 3.66Å; D108-H259 PolarHBondContact OD1-ND1 3.5Å; A124-H259 VanDerWaalsContact CB-O 3.26Å; A124-H259 WeakPolarHBondContact CB-O 3.18Å; H249-H259 AromaticContact CE1-CD2 3.62Å; H249-H259 AromaticContact CE1-NE2 3.76Å; H249-H259 AromaticContact NE2-CD2 3.48Å; H249-H259 PolarHBondContact NE2-CD2 2.95Å; H249-H259 AromaticContact NE2-NE2 3.31Å; H249-H259 PolarHBondContact NE2-NE2 3.44Å; H253-H259 AromaticContact CE1-CD2 3.45Å; H253-H259 PolarHBondContact CE1-CD2 2.96Å; H253-H259 VanDerWaalsContact CE1-CD2 3.45Å; H253-H259 AromaticContact CE1-NE2 3.82Å; H253-H259 AromaticContact NE2-CD2 3.34Å; H253-H259 PolarHBondContact NE2-CD2 3.35Å; H253-H259 VanDerWaalsContact NE2-CD2 3.34Å; H253-H259 AromaticContact NE2-NE2 3.28Å; H253-H259 PolarHBondContact NE2-NE2 3.19Å; H259-M267 CarbonylContact C-O 3.5Å; H259-M267 VanDerWaalsContact CA-O 3.3Å; H259-M267 WeakPolarHBondContact CA-O 3.36Å
260	S	85.9	Confident	90.4	Very high	8 Å²	8	21.1 Å²	21.1	6%	0.056	12%	0.12	C	C	.	.			trans	-73.1	148.4	170	-171.1	0	0	0	0	110.8	E258 D262 M267 P269 D284	E258-S260 PolarHBondContact O-N 3.04Å; S260-D262 VanDerWaalsContact C-N 3.33Å; S260-D262 WeakPolarHBondContact OG-CB 3.49Å; S260-D262 PolarHBondContact OG-N 3.27Å; S260-M267 PolarHBondContact N-O 3.3Å; S260-P269 WeakPolarHBondContact O-CD 3.15Å; S260-D284 VanDerWaalsContact CB-OD2 3.24Å; S260-D284 WeakPolarHBondContact CB-OD2 3.16Å; S260-D284 PolarHBondContact OG-OD2 2.79Å
261	N	78.8	Confident	90	Very high	83 Å²	83	22.8 Å²	22.8	44%	0.444	13%	0.127	S	C	.	.	S	Bend	trans	-90.2	-4.1	167.7	-58.9	-67	0	0	0	111.7	P263	N261-P263 WeakPolarHBondContact O-CD 3.31Å
262	D	80.6	Confident	89.5	Confident	59 Å²	59	25.6 Å²	25.6	32%	0.316	14%	0.14	S	C	.	.			trans	-78	114.7	171.4	-176.1	-14.4	0	0	0	108.4	S260 T264 A265 A268 D284	S260-D262 VanDerWaalsContact C-N 3.33Å; S260-D262 WeakPolarHBondContact OG-CB 3.49Å; S260-D262 PolarHBondContact OG-N 3.27Å; D262-T264 VanDerWaalsContact CG-OG1 3.28Å; D262-T264 PolarHBondContact O-N 3.13Å; D262-T264 VanDerWaalsContact O-N 3.12Å; D262-T264 WeakPolarHBondContact OD1-CB 3.3Å; D262-T264 PolarHBondContact OD1-N 2.95Å; D262-T264 PolarHBondContact OD1-OG1 3.35Å; D262-T264 PolarHBondContact OD2-OG1 3.09Å; D262-A265 HydrophobicContact CB-CB 4.06Å; D262-A265 WeakPolarHBondContact O-CB 3.44Å; D262-A265 PolarHBondContact O-N 3.33Å; D262-A265 VanDerWaalsContact O-N 3.16Å; D262-A268 WeakPolarHBondContact O-CB 3.3Å; D262-D284 HydrophobicContact CB-CB 4.43Å
263	P	81.2	Confident	89.1	Confident	91 Å²	91	29.6 Å²	29.6	59%	0.591	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-12.1	-180	30	-36.2	0	0	0	112.7	N261 Q272	N261-P263 WeakPolarHBondContact O-CD 3.31Å; P263-Q272 PolarHBondContact O-NE2 2.76Å; P263-Q272 PolarHBondContact O-OE1 3.17Å
264	T	83.8	Confident	88.8	Confident	89 Å²	89	31.2 Å²	31.2	55%	0.546	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-7.8	177.6	70	0	0	0	0	113.6	D262 P282	D262-T264 VanDerWaalsContact CG-OG1 3.28Å; D262-T264 PolarHBondContact O-N 3.13Å; D262-T264 VanDerWaalsContact O-N 3.12Å; D262-T264 WeakPolarHBondContact OD1-CB 3.3Å; D262-T264 PolarHBondContact OD1-N 2.95Å; D262-T264 PolarHBondContact OD1-OG1 3.35Å; D262-T264 PolarHBondContact OD2-OG1 3.09Å; T264-P282 WeakPolarHBondContact O-CG 3.35Å
265	A	90.4	Very high	88.4	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-71.3	149.4	176.1	0	0	0	0	0	111.2	D262 M267 A268 Q272 D284 D285	D262-A265 HydrophobicContact CB-CB 4.06Å; D262-A265 WeakPolarHBondContact O-CB 3.44Å; D262-A265 PolarHBondContact O-N 3.33Å; D262-A265 VanDerWaalsContact O-N 3.16Å; A265-M267 PolarHBondContact O-N 3.01Å; A265-A268 VanDerWaalsContact O-CB 3.27Å; A265-A268 WeakPolarHBondContact O-CB 3.14Å; A265-A268 PolarHBondContact O-N 3.39Å; A265-Q272 PolarHBondContact O-NE2 3.2Å; A265-D284 HydrophobicContact CB-CB 4.26Å; A265-D285 VanDerWaalsContact CA-OD2 3.32Å; A265-D285 WeakPolarHBondContact CA-OD2 3.37Å
266	I	94.4	Very high	88	Confident	10 Å²	10	36.7 Å²	36.7	5%	0.051	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-33.2	169.8	-169.3	60.3	0	0	0	109.6	W162 V248 H249 A268 M274 F279 L281 D285	W162-I266 HydrophobicContact CH2-CG2 4.42Å; W162-I266 HydrophobicContact CZ2-CG2 4.41Å; V248-I266 HydrophobicContact CB-CG1 4.21Å; V248-I266 HydrophobicContact CG1-CG1 3.82Å; V248-I266 HydrophobicContact CG1-CG2 4.09Å; H249-I266 HydrophobicContact CB-CG1 4.32Å; H249-I266 PolarHBondContact ND1-O 3.32Å; I266-A268 PolarHBondContact O-N 3.31Å; I266-A268 VanDerWaalsContact O-N 3.15Å; I266-M274 HydrophobicContact CB-CE 4.28Å; I266-M274 HydrophobicContact CD1-CE 4.01Å; I266-M274 HydrophobicContact CD1-SD 4.02Å; I266-F279 HydrophobicContact CB-CZ 4.33Å; I266-F279 HydrophobicContact CD1-CE2 4.42Å; I266-F279 HydrophobicContact CD1-CZ 4.35Å; I266-F279 HydrophobicContact CG1-CZ 4.19Å; I266-L281 HydrophobicContact CG2-CD2 3.79Å; I266-D285 HydrophobicContact CG2-CB 4.04Å; I266-D285 VanDerWaalsContact CG2-CG 3.46Å; I266-D285 PolarHBondContact N-OD2 2.78Å
267	M	94.6	Very high	87.7	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.015	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	9.9	174.2	-62.6	-52.4	-56.9	0	0	114.3	W162 H249 H253 L257 H259 S260 A265 D285	W162-M267 HydrophobicContact CZ2-SD 4.34Å; H249-M267 VanDerWaalsContact CE1-C 3.49Å; H249-M267 WeakPolarHBondContact O-CE 3.42Å; H253-M267 WeakPolarHBondContact CE1-CE 3.15Å; H253-M267 WeakPolarHBondContact ND1-CE 3.36Å; L257-M267 HydrophobicContact CB-CE 4.09Å; L257-M267 HydrophobicContact CB-CG 4.19Å; L257-M267 HydrophobicContact CB-SD 4.39Å; L257-M267 HydrophobicContact CD1-CG 3.89Å; L257-M267 HydrophobicContact CD1-SD 4.25Å; H259-M267 CarbonylContact C-O 3.5Å; H259-M267 VanDerWaalsContact CA-O 3.3Å; H259-M267 WeakPolarHBondContact CA-O 3.36Å; S260-M267 PolarHBondContact N-O 3.3Å; A265-M267 PolarHBondContact O-N 3.01Å; M267-D285 VanDerWaalsContact CB-OD1 3.23Å; M267-D285 WeakPolarHBondContact CB-OD1 3.19Å; M267-D285 WeakPolarHBondContact CG-OD1 3.46Å; M267-D285 PolarHBondContact N-OD1 2.83Å
268	A	91.3	Very high	87.3	Confident	7 Å²	7	49.4 Å²	49.4	6%	0.058	26%	0.262	C	S	.	.			trans	-66.6	138.7	170.4	0	0	0	0	0	110.1	H249 D262 A265 I266 F270	H249-A268 PolarHBondContact CE1-O 2.83Å; H249-A268 PolarHBondContact ND1-O 2.83Å; D262-A268 WeakPolarHBondContact O-CB 3.3Å; A265-A268 VanDerWaalsContact O-CB 3.27Å; A265-A268 WeakPolarHBondContact O-CB 3.14Å; A265-A268 PolarHBondContact O-N 3.39Å; I266-A268 PolarHBondContact O-N 3.31Å; I266-A268 VanDerWaalsContact O-N 3.15Å; A268-F270 VanDerWaalsContact C-N 3.35Å; A268-F270 PolarHBondContact O-N 2.92Å
269	P	90.1	Very high	87.4	Confident	11 Å²	11	48.6 Å²	48.6	7%	0.071	26%	0.258	C	S	.	.	S	Bend	trans	-64.6	-35.4	-170	18.5	-28.9	0	0	0	113.9	Y78 R103 C104 S260	Y78-P269 HydrophobicContact CD1-CG 4.32Å; Y78-P269 HydrophobicContact CE1-CG 3.71Å; R103-P269 CarbonylContact C-O 2.98Å; R103-P269 WeakPolarHBondContact CA-O 3.19Å; R103-P269 WeakPolarHBondContact CB-O 3.36Å; C104-P269 PolarHBondContact N-O 3.31Å; S260-P269 WeakPolarHBondContact O-CD 3.15Å
270	F	89.7	Confident	87.4	Confident	19 Å²	19	56.5 Å²	56.5	8%	0.083	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-84.9	137.3	-179.4	-70.8	-76.7	0	0	0	111.1	Y78 W98 R101 R103 A268 Q272	Y78-F270 HydrophobicContact CD1-CD2 4.18Å; Y78-F270 AromaticContact CD1-CE2 3.57Å; Y78-F270 HydrophobicContact CD1-CE2 3.57Å; Y78-F270 AromaticContact CD2-CE2 3.77Å; Y78-F270 HydrophobicContact CD2-CE2 3.77Å; Y78-F270 HydrophobicContact CD2-CZ 4.18Å; Y78-F270 HydrophobicContact CE1-CD2 4.3Å; Y78-F270 AromaticContact CE1-CE2 3.6Å; Y78-F270 HydrophobicContact CE1-CE2 3.6Å; Y78-F270 HydrophobicContact CE1-CZ 4.43Å; Y78-F270 AromaticContact CE2-CE2 3.74Å; Y78-F270 HydrophobicContact CE2-CE2 3.74Å; Y78-F270 AromaticContact CE2-CZ 3.91Å; Y78-F270 HydrophobicContact CE2-CZ 3.91Å; Y78-F270 AromaticContact CG-CE2 3.64Å; Y78-F270 HydrophobicContact CG-CE2 3.64Å; Y78-F270 HydrophobicContact CG-CZ 4.49Å; Y78-F270 AromaticContact CZ-CE2 3.65Å; W98-F270 HydrophobicContact CE3-CD2 4.28Å; W98-F270 HydrophobicContact CE3-CE2 4.11Å; W98-F270 HydrophobicContact CE3-CZ 4.27Å; W98-F270 HydrophobicContact CZ3-CD2 4.12Å; W98-F270 HydrophobicContact CZ3-CE2 4.33Å; W98-F270 HydrophobicContact CZ3-CG 4.45Å; W98-F270 WeakPolarHBondContact O-CE1 3.32Å; R101-F270 HydrophobicContact CB-CD1 3.77Å; R101-F270 HydrophobicContact CB-CE1 4.07Å; R103-F270 HydrophobicContact CB-CD1 3.74Å; R103-F270 HydrophobicContact CB-CE1 4.15Å; R103-F270 HydrophobicContact CB-CG 4.38Å; R103-F270 HydrophobicContact CG-CE1 4.46Å; A268-F270 VanDerWaalsContact C-N 3.35Å; A268-F270 PolarHBondContact O-N 2.92Å; F270-Q272 PolarHBondContact O-N 2.99Å
271	Y	89.3	Confident	87.8	Confident	37 Å²	37	57.2 Å²	57.2	15%	0.145	30%	0.295	C	S	.	.			trans	-60.6	134.2	174.6	176.5	-102.7	0	0	0	110.7	R101 P102 L209 D242 L245 V246	R101-Y271 PolarHBondContact NH2-O 2.88Å; P102-Y271 HydrophobicContact CG-CD1 4.18Å; P102-Y271 WeakPolarHBondContact O-CB 3.43Å; P102-Y271 PolarHBondContact O-N 2.81Å; L209-Y271 HydrophobicContact CD1-CD2 3.94Å; L209-Y271 HydrophobicContact CD1-CG 3.86Å; D242-Y271 WeakPolarHBondContact CB-OH 3.48Å; D242-Y271 PolarHBondContact N-OH 3.44Å; L245-Y271 HydrophobicContact CB-CE2 4.38Å; V246-Y271 HydrophobicContact CG2-CD2 3.77Å; V246-Y271 HydrophobicContact CG2-CE2 3.89Å
272	Q	86.8	Confident	88.4	Confident	60 Å²	60	54.5 Å²	54.5	28%	0.28	28%	0.282	S	S	.	.			trans	-143.4	136.5	174.3	60.5	-177.2	-6	0	0	109.2	P263 A265 F270 M274	P263-Q272 PolarHBondContact O-NE2 2.76Å; P263-Q272 PolarHBondContact O-OE1 3.17Å; A265-Q272 PolarHBondContact O-NE2 3.2Å; F270-Q272 PolarHBondContact O-N 2.99Å; Q272-M274 HydrophobicContact CG-CE 3.93Å
273	Y	88.1	Confident	88.8	Confident	84 Å²	84	57.2 Å²	57.2	33%	0.329	29%	0.294	S	S	.	.			trans	-71.5	137.4	175	-177.4	-94.4	0	0	0	110.5	H238 L245	H238-Y273 AromaticContact CE1-CD1 3.57Å; H238-Y273 AromaticContact CE1-CE1 3.09Å; H238-Y273 WeakPolarHBondContact CE1-CE1 3.38Å; H238-Y273 AromaticContact CE1-CE2 3.77Å; H238-Y273 AromaticContact CE1-CZ 3.2Å; H238-Y273 AromaticContact ND1-CD1 3.67Å; H238-Y273 AromaticContact ND1-CD2 3.57Å; H238-Y273 AromaticContact ND1-CE1 3.51Å; H238-Y273 AromaticContact ND1-CE2 3.39Å; H238-Y273 WeakPolarHBondContact ND1-CE2 3.34Å; H238-Y273 AromaticContact ND1-CG 3.7Å; H238-Y273 AromaticContact ND1-CZ 3.36Å; H238-Y273 AromaticContact NE2-CE1 3.83Å; L245-Y273 HydrophobicContact CD1-CD2 4.02Å; L245-Y273 HydrophobicContact CD1-CE2 4.44Å
274	M	88.1	Confident	89.2	Confident	34 Å²	34	54.6 Å²	54.6	17%	0.167	28%	0.275	C	S	.	.			trans	-129.3	151.1	171.2	-57.4	-170.2	-177.2	0	0	108.6	L245 I266 Q272 T276 F279 P282	L245-M274 HydrophobicContact CD1-CB 4.23Å; L245-M274 VanDerWaalsContact CD1-N 3.25Å; L245-M274 HydrophobicContact CD2-CB 3.92Å; I266-M274 HydrophobicContact CB-CE 4.28Å; I266-M274 HydrophobicContact CD1-CE 4.01Å; I266-M274 HydrophobicContact CD1-SD 4.02Å; Q272-M274 HydrophobicContact CG-CE 3.93Å; M274-T276 WeakPolarHBondContact O-CG2 3.47Å; M274-T276 PolarHBondContact O-N 3.38Å; M274-F279 HydrophobicContact CB-CD2 4.28Å; M274-F279 HydrophobicContact CB-CE2 4.13Å; M274-F279 HydrophobicContact SD-CE2 3.71Å; M274-F279 HydrophobicContact SD-CZ 4.42Å; M274-P282 HydrophobicContact CE-CG 4.36Å; M274-P282 HydrophobicContact SD-CG 4.41Å
275	D	86.5	Confident	89.7	Confident	93 Å²	93	50.5 Å²	50.5	50%	0.497	25%	0.25	S	C	.	.			trans	-57.9	120.1	174.4	-178	-18.6	0	0	0	110.1	D277 F279	D275-D277 PolarHBondContact OD1-N 3.37Å; D275-F279 WeakPolarHBondContact O-CA 3.27Å
276	T	87.4	Confident	89.9	Confident	23 Å²	23	52.4 Å²	52.4	14%	0.141	26%	0.26	C	S	.	.	S	Bend	trans	-91.2	-19.6	-175.7	54.7	0	0	0	0	113.4	F244 L245 M274	F244-T276 HydrophobicContact CD1-CG2 3.8Å; F244-T276 HydrophobicContact CE1-CG2 4.27Å; L245-T276 HydrophobicContact CD1-CG2 4.23Å; L245-T276 HydrophobicContact CD2-CG2 3.96Å; L245-T276 HydrophobicContact CG-CG2 3.92Å; M274-T276 WeakPolarHBondContact O-CG2 3.47Å; M274-T276 PolarHBondContact O-N 3.38Å
277	D	83.4	Confident	89.7	Confident	142 Å²	142	55.4 Å²	55.4	76%	0.759	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-38.1	-176.6	-74	-24.1	0	0	0	111.5	D275	D275-D277 PolarHBondContact OD1-N 3.37Å
278	N	83.6	Confident	89.5	Confident	130 Å²	130	55.4 Å²	55.4	70%	0.695	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.4	38.7	178.1	-73.1	-63.2	0	0	0	112.1	K280	N278-K280 PolarHBondContact O-N 2.85Å
279	F	91.5	Very high	89.7	Confident	29 Å²	29	55 Å²	55	13%	0.127	27%	0.272	C	S	.	.			trans	-55.4	129.2	-176.2	-174.5	-92	0	0	0	111.9	V161 F244 L245 V248 I266 M274 D275 L281	V161-F279 HydrophobicContact CG1-CD1 4.19Å; V161-F279 HydrophobicContact CG1-CE1 3.82Å; V161-F279 HydrophobicContact CG2-CD1 3.84Å; V161-F279 HydrophobicContact CG2-CE1 4.21Å; F244-F279 HydrophobicContact CE1-CB 3.79Å; F244-F279 HydrophobicContact CE1-CD1 4.16Å; F244-F279 HydrophobicContact CE1-CD2 4.04Å; F244-F279 AromaticContact CE1-CG 3.71Å; F244-F279 HydrophobicContact CE1-CG 3.71Å; F244-F279 HydrophobicContact CZ-CB 3.94Å; F244-F279 AromaticContact CZ-CD1 3.9Å; F244-F279 HydrophobicContact CZ-CD1 3.9Å; F244-F279 AromaticContact CZ-CG 3.88Å; F244-F279 HydrophobicContact CZ-CG 3.88Å; L245-F279 HydrophobicContact CD2-CD2 3.77Å; L245-F279 HydrophobicContact CD2-CE2 3.66Å; V248-F279 HydrophobicContact CG1-CE1 4.01Å; V248-F279 HydrophobicContact CG1-CZ 4.07Å; V248-F279 HydrophobicContact CG2-CE1 4.42Å; I266-F279 HydrophobicContact CB-CZ 4.33Å; I266-F279 HydrophobicContact CD1-CE2 4.42Å; I266-F279 HydrophobicContact CD1-CZ 4.35Å; I266-F279 HydrophobicContact CG1-CZ 4.19Å; M274-F279 HydrophobicContact CB-CD2 4.28Å; M274-F279 HydrophobicContact CB-CE2 4.13Å; M274-F279 HydrophobicContact SD-CE2 3.71Å; M274-F279 HydrophobicContact SD-CZ 4.42Å; D275-F279 WeakPolarHBondContact O-CA 3.27Å; F279-L281 HydrophobicContact CE1-CD2 4.23Å; F279-L281 HydrophobicContact CE1-CG 4.45Å
280	K	90.4	Very high	89.9	Confident	175 Å²	175	57.3 Å²	57.3	76%	0.761	28%	0.282	S	S	*	.			trans	-131.8	138.4	172.3	-69.8	-178.7	-177.1	175.7	0	108.6	N278 P282	N278-K280 PolarHBondContact O-N 2.85Å; K280-P282 WeakPolarHBondContact O-CD 3.41Å
281	L	93.2	Very high	90	Very high	23 Å²	23	63.3 Å²	63.3	12%	0.12	31%	0.308	C	S	.	.			trans	-56.8	127.8	175	-77.3	167.2	0	0	0	110.3	V161 W162 V165 V248 I266 F279 D285	V161-L281 HydrophobicContact CG1-CD1 3.71Å; V161-L281 HydrophobicContact CG1-CD2 3.72Å; V161-L281 HydrophobicContact CG1-CG 3.46Å; V161-L281 VanDerWaalsContact CG1-CG 3.46Å; W162-L281 HydrophobicContact CD2-CD1 4.35Å; W162-L281 HydrophobicContact CE3-CD1 3.66Å; W162-L281 HydrophobicContact CE3-CD2 4.28Å; W162-L281 HydrophobicContact CH2-CD1 4.44Å; W162-L281 HydrophobicContact CH2-CD2 3.68Å; W162-L281 HydrophobicContact CZ2-CD2 4.02Å; W162-L281 HydrophobicContact CZ3-CD1 3.7Å; W162-L281 HydrophobicContact CZ3-CD2 3.81Å; W162-L281 HydrophobicContact CZ3-CG 4.42Å; V165-L281 HydrophobicContact CG1-CD1 4.29Å; V165-L281 HydrophobicContact CG2-CD1 3.52Å; V248-L281 HydrophobicContact CG1-CD2 4.16Å; I266-L281 HydrophobicContact CG2-CD2 3.79Å; F279-L281 HydrophobicContact CE1-CD2 4.23Å; F279-L281 HydrophobicContact CE1-CG 4.45Å; L281-D285 HydrophobicContact CD2-CB 4.12Å
282	P	93.1	Very high	90.1	Very high	25 Å²	25	62.8 Å²	62.8	16%	0.162	31%	0.307	C	S	.	.			trans	-56.4	156.8	167.8	-22.2	32.3	0	0	0	111.4	T264 M274 K280 D284 D285 L286	T264-P282 WeakPolarHBondContact O-CG 3.35Å; M274-P282 HydrophobicContact CE-CG 4.36Å; M274-P282 HydrophobicContact SD-CG 4.41Å; K280-P282 WeakPolarHBondContact O-CD 3.41Å; P282-D284 VanDerWaalsContact C-N 3.3Å; P282-D284 PolarHBondContact O-N 2.81Å; P282-D285 VanDerWaalsContact CB-OD2 3.28Å; P282-D285 WeakPolarHBondContact CB-OD2 3.29Å; P282-D285 VanDerWaalsContact CD-OD2 3.27Å; P282-D285 WeakPolarHBondContact CD-OD2 3.24Å; P282-D285 WeakPolarHBondContact CG-OD2 3.48Å; P282-D285 PolarHBondContact O-N 3.03Å; P282-L286 PolarHBondContact O-N 2.88Å
283	M	88.9	Confident	90.4	Very high	117 Å²	117	61.3 Å²	61.3	58%	0.576	30%	0.299	S	S	*	.	H	α-helix	trans	-64.3	-34.7	-169.7	-166.4	68.3	173.2	0	0	112.8	L286 M287	M283-L286 PolarHBondContact O-N 3.09Å; M283-L286 HydrophobicContact SD-CD2 4.06Å; M283-M287 HydrophobicContact CE-CE 3.27Å; M283-M287 HydrophobicContact CE-CG 4.31Å; M283-M287 HydrophobicContact CG-CE 3.78Å; M283-M287 HydrophobicContact CG-CG 4.34Å; M283-M287 WeakPolarHBondContact O-CB 3.31Å; M283-M287 VanDerWaalsContact O-CG 3.3Å; M283-M287 WeakPolarHBondContact O-CG 3.49Å; M283-M287 PolarHBondContact O-N 2.93Å; M283-M287 HydrophobicContact SD-CE 4.28Å
284	D	89.6	Confident	90.6	Very high	36 Å²	36	58.3 Å²	58.3	19%	0.193	29%	0.294	C	S	.	.	H	α-helix	trans	-62.4	-46	178.3	-171.4	61.8	0	0	0	111.3	S260 D262 A265 P282 M287 G288	S260-D284 VanDerWaalsContact CB-OD2 3.24Å; S260-D284 WeakPolarHBondContact CB-OD2 3.16Å; S260-D284 PolarHBondContact OG-OD2 2.79Å; D262-D284 HydrophobicContact CB-CB 4.43Å; A265-D284 HydrophobicContact CB-CB 4.26Å; P282-D284 VanDerWaalsContact C-N 3.3Å; P282-D284 PolarHBondContact O-N 2.81Å; D284-M287 PolarHBondContact O-N 3.15Å; D284-G288 PolarHBondContact O-N 3.44Å
285	D	93.3	Very high	90.8	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.011	31%	0.312	C	S	.	.	H	α-helix	trans	-66.4	-43.9	178.4	-50	-67.7	0	0	0	111.6	W162 A265 I266 M267 L281 P282 M287 G288 I289	W162-D285 HydrophobicContact CH2-CB 4.13Å; W162-D285 HydrophobicContact CZ3-CB 4.48Å; A265-D285 VanDerWaalsContact CA-OD2 3.32Å; A265-D285 WeakPolarHBondContact CA-OD2 3.37Å; I266-D285 HydrophobicContact CG2-CB 4.04Å; I266-D285 VanDerWaalsContact CG2-CG 3.46Å; I266-D285 PolarHBondContact N-OD2 2.78Å; M267-D285 VanDerWaalsContact CB-OD1 3.23Å; M267-D285 WeakPolarHBondContact CB-OD1 3.19Å; M267-D285 WeakPolarHBondContact CG-OD1 3.46Å; M267-D285 PolarHBondContact N-OD1 2.83Å; L281-D285 HydrophobicContact CD2-CB 4.12Å; P282-D285 VanDerWaalsContact CB-OD2 3.28Å; P282-D285 WeakPolarHBondContact CB-OD2 3.29Å; P282-D285 VanDerWaalsContact CD-OD2 3.27Å; P282-D285 WeakPolarHBondContact CD-OD2 3.24Å; P282-D285 WeakPolarHBondContact CG-OD2 3.48Å; P282-D285 PolarHBondContact O-N 3.03Å; D285-M287 PolarHBondContact O-N 2.74Å; D285-G288 PolarHBondContact O-N 3.3Å; D285-I289 WeakPolarHBondContact O-CG2 3.15Å; D285-I289 PolarHBondContact O-N 3.26Å
286	L	93.8	Very high	90.9	Very high	40 Å²	40	58.2 Å²	58.2	21%	0.209	30%	0.301	C	S	.	.	H	α-helix	trans	-58.9	-48.6	176.3	178.7	65.3	0	0	0	111.5	V165 P282 M283 I289 Q290	V165-L286 HydrophobicContact CB-CD1 3.51Å; V165-L286 HydrophobicContact CG1-CD1 3.62Å; V165-L286 HydrophobicContact CG2-CD1 3.98Å; P282-L286 PolarHBondContact O-N 2.88Å; M283-L286 PolarHBondContact O-N 3.09Å; M283-L286 HydrophobicContact SD-CD2 4.06Å; L286-I289 WeakPolarHBondContact O-CG2 3.42Å; L286-Q290 HydrophobicContact CD1-CG 4.37Å; L286-Q290 VanDerWaalsContact O-CB 3.32Å; L286-Q290 WeakPolarHBondContact O-CB 3.11Å; L286-Q290 VanDerWaalsContact O-CG 3.25Å; L286-Q290 WeakPolarHBondContact O-CG 3.29Å; L286-Q290 PolarHBondContact O-N 2.86Å; L286-Q290 VanDerWaalsContact O-N 3.12Å
287	M	90.6	Very high	90.6	Very high	74 Å²	74	63.2 Å²	63.2	37%	0.365	33%	0.327	S	S	.	.	H	α-helix	trans	-67.6	-39	178.2	-71.8	-167.6	-173.9	0	0	111.5	Y123 M283 D284 D285 K291	Y123-M287 HydrophobicContact CD1-CB 4.05Å; Y123-M287 HydrophobicContact CE1-CB 3.29Å; Y123-M287 HydrophobicContact CE1-CG 4.23Å; Y123-M287 HydrophobicContact CE1-SD 3.91Å; Y123-M287 PolarHBondContact OH-SD 2.98Å; M283-M287 HydrophobicContact CE-CE 3.27Å; M283-M287 HydrophobicContact CE-CG 4.31Å; M283-M287 HydrophobicContact CG-CE 3.78Å; M283-M287 HydrophobicContact CG-CG 4.34Å; M283-M287 WeakPolarHBondContact O-CB 3.31Å; M283-M287 VanDerWaalsContact O-CG 3.3Å; M283-M287 WeakPolarHBondContact O-CG 3.49Å; M283-M287 PolarHBondContact O-N 2.93Å; M283-M287 HydrophobicContact SD-CE 4.28Å; D284-M287 PolarHBondContact O-N 3.15Å; D285-M287 PolarHBondContact O-N 2.74Å; M287-K291 VanDerWaalsContact O-CB 3.29Å; M287-K291 WeakPolarHBondContact O-CB 3.21Å; M287-K291 PolarHBondContact O-N 3.38Å
288	G	91.4	Very high	89.5	Confident	2 Å²	2	67.4 Å²	67.4	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-58.8	-53.1	177.5	0	0	0	0	0	111.5	D284 D285 Q290 K291 I292	D284-G288 PolarHBondContact O-N 3.44Å; D285-G288 PolarHBondContact O-N 3.3Å; G288-Q290 PolarHBondContact O-N 2.85Å; G288-K291 VanDerWaalsContact O-CB 3.3Å; G288-K291 WeakPolarHBondContact O-CB 3.29Å; G288-K291 PolarHBondContact O-N 3.43Å; G288-K291 VanDerWaalsContact O-N 3.13Å; G288-I292 PolarHBondContact O-N 2.96Å
289	I	94.9	Very high	87.5	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-68.6	-39.1	-176.7	-162.4	68.4	0	0	0	111.9	W162 V165 T166 L255 L257 D285 L286 K291 I292 Y293	W162-I289 HydrophobicContact CE3-CB 4Å; W162-I289 HydrophobicContact CE3-CD1 4.27Å; W162-I289 HydrophobicContact CE3-CG1 3.81Å; W162-I289 HydrophobicContact CE3-CG2 3.99Å; W162-I289 HydrophobicContact CZ3-CB 3.74Å; W162-I289 HydrophobicContact CZ3-CD1 4.4Å; W162-I289 HydrophobicContact CZ3-CG1 4.03Å; W162-I289 HydrophobicContact CZ3-CG2 3.85Å; V165-I289 HydrophobicContact CG2-CG2 3.95Å; T166-I289 HydrophobicContact CG2-CB 4.36Å; T166-I289 HydrophobicContact CG2-CG1 3.5Å; T166-I289 HydrophobicContact CG2-CG2 3.97Å; L255-I289 HydrophobicContact CB-CD1 3.74Å; L255-I289 HydrophobicContact CD1-CD1 4.05Å; L257-I289 HydrophobicContact CD1-CB 4.25Å; L257-I289 HydrophobicContact CD1-CD1 4.12Å; L257-I289 HydrophobicContact CD2-CB 4.48Å; L257-I289 HydrophobicContact CD2-CD1 4.45Å; L257-I289 HydrophobicContact CG-CD1 4.13Å; D285-I289 WeakPolarHBondContact O-CG2 3.15Å; D285-I289 PolarHBondContact O-N 3.26Å; L286-I289 WeakPolarHBondContact O-CG2 3.42Å; I289-K291 PolarHBondContact O-N 3.19Å; I289-I292 PolarHBondContact O-N 2.89Å; I289-Y293 HydrophobicContact CD1-CD2 3.72Å; I289-Y293 HydrophobicContact CD1-CE2 3.74Å; I289-Y293 HydrophobicContact CG1-CD2 4.06Å; I289-Y293 PolarHBondContact O-N 2.48Å
290	Q	94.1	Very high	85.2	Confident	59 Å²	59	72 Å²	72	28%	0.276	36%	0.364	S	S	.	.	H	α-helix	trans	-69.6	-21.8	175.6	-70.4	-176.2	-10.1	0	0	112.3	V165 L286 G288 I292 G294	V165-Q290 WeakPolarHBondContact O-CG 3.4Å; V165-Q290 PolarHBondContact O-NE2 3.11Å; L286-Q290 HydrophobicContact CD1-CG 4.37Å; L286-Q290 VanDerWaalsContact O-CB 3.32Å; L286-Q290 WeakPolarHBondContact O-CB 3.11Å; L286-Q290 VanDerWaalsContact O-CG 3.25Å; L286-Q290 WeakPolarHBondContact O-CG 3.29Å; L286-Q290 PolarHBondContact O-N 2.86Å; L286-Q290 VanDerWaalsContact O-N 3.12Å; G288-Q290 PolarHBondContact O-N 2.85Å; Q290-I292 VanDerWaalsContact C-N 3.29Å; Q290-G294 WeakPolarHBondContact O-CA 3.18Å; Q290-G294 PolarHBondContact O-N 2.87Å
291	K	91.7	Very high	82.6	Confident	144 Å²	144	71.9 Å²	71.9	63%	0.626	37%	0.366	S	S	*	.	H	α-helix	trans	-69.2	-29.7	170.7	-170.6	60.8	176.1	175	0	112	Y123 L125 M287 G288 I289	Y123-K291 HydrophobicContact CD2-CB 4.09Å; Y123-K291 HydrophobicContact CD2-CG 3.98Å; Y123-K291 HydrophobicContact CE2-CB 4.32Å; Y123-K291 HydrophobicContact CE2-CD 4.47Å; Y123-K291 HydrophobicContact CE2-CG 4.22Å; L125-K291 HydrophobicContact CD1-CB 4.27Å; L125-K291 HydrophobicContact CD1-CG 3.77Å; M287-K291 VanDerWaalsContact O-CB 3.29Å; M287-K291 WeakPolarHBondContact O-CB 3.21Å; M287-K291 PolarHBondContact O-N 3.38Å; G288-K291 VanDerWaalsContact O-CB 3.3Å; G288-K291 WeakPolarHBondContact O-CB 3.29Å; G288-K291 PolarHBondContact O-N 3.43Å; G288-K291 VanDerWaalsContact O-N 3.13Å; I289-K291 PolarHBondContact O-N 3.19Å
292	I	91.3	Very high	80	Confident	26 Å²	26	76.1 Å²	76.1	13%	0.133	40%	0.395	C	S	.	.	H	α-helix	trans	-81.4	-54	176.9	-55.6	177.6	0	0	0	111.1	L125 K129 L257 G288 I289 Q290	L125-I292 HydrophobicContact CD2-CD1 3.61Å; L125-I292 HydrophobicContact CD2-CG1 3.45Å; L125-I292 VanDerWaalsContact CD2-CG1 3.45Å; K129-I292 HydrophobicContact CB-CG2 3.43Å; K129-I292 VanDerWaalsContact CB-CG2 3.43Å; K129-I292 HydrophobicContact CD-CG2 4.1Å; K129-I292 HydrophobicContact CG-CG2 4.4Å; L257-I292 HydrophobicContact CD2-CD1 3.88Å; L257-I292 HydrophobicContact CG-CD1 4.41Å; G288-I292 PolarHBondContact O-N 2.96Å; I289-I292 PolarHBondContact O-N 2.89Å; Q290-I292 VanDerWaalsContact C-N 3.29Å
293	Y	93.9	Very high	77.5	Confident	30 Å²	30	81.2 Å²	81.2	12%	0.118	43%	0.426	C	S	.	.	H	α-helix	trans	-109	-14.5	-167.4	-60.9	-72.7	0	0	0	114.5	K129 W130 P167 L168 L255 I289	K129-Y293 HydrophobicContact CB-CE1 4.2Å; W130-Y293 HydrophobicContact CB-CE1 4.16Å; W130-Y293 PolarHBondContact N-OH 3.09Å; W130-Y293 VanDerWaalsContact N-OH 3.1Å; P167-Y293 WeakPolarHBondContact CD-O 3.33Å; P167-Y293 WeakPolarHBondContact CG-O 3.36Å; L168-Y293 HydrophobicContact CD1-CD1 4.07Å; L168-Y293 HydrophobicContact CD1-CD2 3.75Å; L168-Y293 HydrophobicContact CD1-CE1 4.18Å; L168-Y293 HydrophobicContact CD1-CE2 3.87Å; L168-Y293 HydrophobicContact CD1-CG 3.87Å; L168-Y293 HydrophobicContact CD2-CD1 3.67Å; L168-Y293 HydrophobicContact CD2-CE1 3.97Å; L168-Y293 HydrophobicContact CD2-CG 4.12Å; L168-Y293 HydrophobicContact CG-CD1 4.11Å; L168-Y293 HydrophobicContact CG-CD2 4.42Å; L168-Y293 HydrophobicContact CG-CG 4.05Å; L255-Y293 HydrophobicContact CB-CE2 4.17Å; L255-Y293 WeakPolarHBondContact O-CE2 3.39Å; L255-Y293 PolarHBondContact O-OH 3.03Å; I289-Y293 HydrophobicContact CD1-CD2 3.72Å; I289-Y293 HydrophobicContact CD1-CE2 3.74Å; I289-Y293 HydrophobicContact CG1-CD2 4.06Å; I289-Y293 PolarHBondContact O-N 2.48Å
294	G	92	Very high	75	Confident	20 Å²	20	84.5 Å²	84.5	21%	0.206	44%	0.437	C	S	.	.			trans	86.4	171.2	-172.6	0	0	0	0	0	113.6	P167 Q290	P167-G294 VanDerWaalsContact CD-O 3.22Å; P167-G294 WeakPolarHBondContact CD-O 3.42Å; Q290-G294 WeakPolarHBondContact O-CA 3.18Å; Q290-G294 PolarHBondContact O-N 2.87Å
295	P	92.1	Very high	72.7	Confident	84 Å²	84	88.6 Å²	88.6	55%	0.545	47%	0.465	S	S	.	.	S	Bend	trans	-69.8	163	173.7	31	-35.3	0	0	0	111.8
296	P	88.6	Confident	69.9	Low	41 Å²	41	95.7 Å²	95.7	27%	0.266	50%	0.503	S	S	.	.			trans	-66.1	144.2	178.8	28.7	-33	0	0	0	110.9	V165 R298	V165-P296 WeakPolarHBondContact O-CD 3.36Å; P296-R298 PolarHBondContact O-N 3.08Å
297	D	80.6	Confident	67.4	Low	129 Å²	129	100 Å²	100	69%	0.69	53%	0.533	S	S	*	.			trans	-69	88.5	178.2	-66.8	-43.3	0	0	0	109.9	K133	K133-D297 IonicContact NZ-OD2 3.47Å; K133-D297 PolarHBondContact NZ-OD2 3.21Å
298	R	60.3	Low	65.1	Low	230 Å²	230	103 Å²	103	87%	0.868	56%	0.556	S	S	*	*			trans	-100.8	91.8	173.2	-83.8	-166.9	173.8	-169	-0.4	112.6	P296	P296-R298 PolarHBondContact O-N 3.08Å
299	N	41.8	Very low	62.6	Low	138 Å²	138	106.9 Å²	106.9	74%	0.738	59%	0.588	S	S	*	*				-163.6	128	123.8	-99.6	-3.6	0	0	0	108.7	Q301	N299-Q301 PolarHBondContact O-N 3.04Å
300	P	43.5	Very low	59.8	Low	118 Å²	118	112.7 Å²	112.7	77%	0.766	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-57	121.3	148.2	-6.4	21.1	0	0	0	105.8	P302	P300-P302 VanDerWaalsContact O-CD 3.23Å; P300-P302 WeakPolarHBondContact O-CD 3.26Å; P300-P302 VanDerWaalsContact O-N 3.16Å
301	Q	36.1	Very low	57.1	Low	172 Å²	172	115.2 Å²	115.2	80%	0.804	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-56.6	123.3	170.2	-73.5	-172.8	-0.4	0	0	107.9	N299 T303	N299-Q301 PolarHBondContact O-N 3.04Å; Q301-T303 PolarHBondContact O-N 3.31Å
302	P	39.1	Very low	54.5	Low	111 Å²	111	114.5 Å²	114.5	72%	0.721	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-59.7	124.8	157.2	-12.7	27.8	0	0	0	105.8	P300 K304	P300-P302 VanDerWaalsContact O-CD 3.23Å; P300-P302 WeakPolarHBondContact O-CD 3.26Å; P300-P302 VanDerWaalsContact O-N 3.16Å; P302-K304 PolarHBondContact O-N 3.14Å
303	T	40.4	Very low	51.8	Low	132 Å²	132	124.8 Å²	124.8	81%	0.81	69%	0.694	S	S	*	*			trans	-41.5	113.6	173.6	-31.9	0	0	0	0	108.7	Q301 P305	Q301-T303 PolarHBondContact O-N 3.31Å; T303-P305 WeakPolarHBondContact O-CD 3.38Å; T303-P305 VanDerWaalsContact O-N 3.16Å
304	K	36.5	Very low	48.9	Very low	187 Å²	187	128.9 Å²	128.9	81%	0.813	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-55	120.7	169.4	-93.5	-179.5	174.3	176.9	0	107.3	P302	P302-K304 PolarHBondContact O-N 3.14Å
305	P	39.8	Very low	46.5	Very low	121 Å²	121	136.9 Å²	136.9	79%	0.786	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-64.4	142.3	163	-13.6	29.2	0	0	0	108.5	T303	T303-P305 WeakPolarHBondContact O-CD 3.38Å; T303-P305 VanDerWaalsContact O-N 3.16Å
306	L	36.3	Very low	44	Very low	152 Å²	152	138.4 Å²	138.4	80%	0.796	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-53.8	148.8	177.6	-87.2	98.5	0	0	0	111.8	T308	L306-T308 PolarHBondContact O-N 2.96Å
307	P	39.9	Very low	41.8	Very low	131 Å²	131	142.4 Å²	142.4	85%	0.851	79%	0.794	S	S	*	*			trans	-66.8	111.7	-179.4	27.3	-31.2	0	0	0	109.8
308	T	43.3	Very low	39.8	Very low	137 Å²	137	142 Å²	142	84%	0.84	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-88.5	128.6	167.6	-48.2	0	0	0	0	108.2	L306	L306-T308 PolarHBondContact O-N 2.96Å
309	A	38.1	Very low	38.9	Very low	83 Å²	83	137.9 Å²	137.9	69%	0.686	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-58.7	146.8	-177.6	0	0	0	0	0	112.6
310	P	36.8	Very low	39.4	Very low	121 Å²	121	136.5 Å²	136.5	79%	0.786	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-78.1	142.3	177.7	30.3	-30.7	0	0	0	111.4
311	P	37.8	Very low	39.5	Very low	112 Å²	112	141.7 Å²	141.7	73%	0.727	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-78.6	159.6	172.6	31.9	-31.9	0	0	0	111.7
312	P	35.3	Very low	39.5	Very low	129 Å²	129	143.5 Å²	143.5	84%	0.838	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-75.4	132.4	-173.1	-5	22.2	0	0	0	111.3
313	R	35.6	Very low	39.6	Very low	243 Å²	243	144.1 Å²	144.1	92%	0.917	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-89.5	119.2	168.5	-87	-178.9	178.9	164.5	0.3	110.1
314	S	33.7	Very low	39.4	Very low	115 Å²	115	144.8 Å²	144.8	80%	0.804	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-77.6	138.7	163.1	45.4	0	0	0	0	110.5
315	H	40.7	Very low	39.8	Very low	188 Å²	188	146.4 Å²	146.4	87%	0.87	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-86.1	135.9	174	-70.3	-81.8	0	0	0	110.8
316	P	40.5	Very low	39.6	Very low	116 Å²	116	149.9 Å²	149.9	75%	0.753	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-96.2	155.2	157.8	12.3	6.4	0	0	0	111.8
317	P	42.3	Very low	39.6	Very low	126 Å²	126	148.7 Å²	148.7	82%	0.818	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-81.6	155.1	-168.1	32.2	-33.3	0	0	0	113.7
318	S	38.3	Very low	39.4	Very low	120 Å²	120	152 Å²	152	84%	0.839	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-63.6	126.7	178.4	43.4	0	0	0	0	113.9
319	D	41.5	Very low	39.2	Very low	143 Å²	143	150.4 Å²	150.4	77%	0.765	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-96.5	120.5	165.3	-173.3	-2.1	0	0	0	110.4	R321	D319-R321 PolarHBondContact O-N 2.91Å
320	P	51.2	Low	39.2	Very low	110 Å²	110	152.2 Å²	152.2	71%	0.714	81%	0.806	S	S	*	*			trans	-91.3	91.7	179.8	34.5	-29.8	0	0	0	110.8
321	R	45.9	Very low	39.2	Very low	227 Å²	227	156.8 Å²	156.8	86%	0.857	81%	0.807	S	S	*	*			trans	-167.9	91.5	160.7	-111.9	172	-99.6	-174.2	-6.6	112.6	D319	D319-R321 PolarHBondContact O-N 2.91Å
322	K	35.3	Very low	39.2	Very low	210 Å²	210	159 Å²	159	91%	0.913	81%	0.812	S	S	*	*			trans	-164.1	131.1	145.4	-113.1	174.6	-172.1	-175.4	0	112.1
323	P	42.6	Very low	39.7	Very low	124 Å²	124	157.9 Å²	157.9	81%	0.805	81%	0.805	S	S	*	*			trans	-93.2	152.6	-180	29.6	-17.6	0	0	0	113.5
324	D	36	Very low	40	Very low	146 Å²	146	152.6 Å²	152.6	78%	0.781	80%	0.802	S	S	*	*			trans	59.8	99.5	148.2	-122.5	-1.8	0	0	0	122.2
325	R	44.4	Very low	40.1	Very low	220 Å²	220	150.1 Å²	150.1	83%	0.83	80%	0.795	S	S	*	*				29	101.7	120.3	-149.6	176.4	-168.1	-177.6	2.2	117.1
326	Q	36.1	Very low	40.3	Very low	195 Å²	195	148.9 Å²	148.9	91%	0.911	80%	0.795	S	S	*	*			trans	-115.4	122.4	143.5	-90.9	-178.4	-7.5	0	0	110.1	R328	Q326-R328 PolarHBondContact O-N 3.44Å
327	T	36.1	Very low	40	Very low	126 Å²	126	154.3 Å²	154.3	77%	0.773	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-59.4	122.7	174.3	8.2	0	0	0	0	110.4
328	R	35.4	Very low	39.8	Very low	200 Å²	200	154.1 Å²	154.1	76%	0.755	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-66.2	134.3	168.9	-166.3	-178.7	-165.1	176.9	8.4	109.1	Q326	Q326-R328 PolarHBondContact O-N 3.44Å
329	P	39.3	Very low	40.1	Very low	104 Å²	104	153.2 Å²	153.2	68%	0.675	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-65.2	155.4	173.6	25	-30.6	0	0	0	111	R331	P329-R331 PolarHBondContact O-N 2.97Å
330	P	37.6	Very low	40.5	Very low	121 Å²	121	154 Å²	154	79%	0.786	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-57.5	136.3	-176.9	-18.7	29.8	0	0	0	110.9	L332	P330-L332 PolarHBondContact O-N 2.96Å; P330-L332 VanDerWaalsContact O-N 3.13Å
331	R	38.3	Very low	40.5	Very low	218 Å²	218	154.4 Å²	154.4	82%	0.823	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-57.4	120	166.8	-86.9	-174.5	-171.3	-160.9	2.7	108.3	P329	P329-R331 PolarHBondContact O-N 2.97Å
332	L	36.4	Very low	40.9	Very low	158 Å²	158	149.9 Å²	149.9	83%	0.827	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-53.5	143.6	159.5	-71.4	161.9	0	0	0	108.8	P330	P330-L332 PolarHBondContact O-N 2.96Å; P330-L332 VanDerWaalsContact O-N 3.13Å
333	P	47.3	Very low	42.3	Very low	105 Å²	105	142.4 Å²	142.4	68%	0.682	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-56.2	155.5	173.4	25.7	-33.1	0	0	0	109.4	G335	P333-G335 VanDerWaalsContact C-N 3.34Å; P333-G335 PolarHBondContact O-N 2.59Å
334	P	41.2	Very low	43.8	Very low	132 Å²	132	141.7 Å²	141.7	86%	0.857	75%	0.752	S	S	*	*			trans	-60.3	99.2	-177.5	-11.9	25.2	0	0	0	108.9
335	G	35.8	Very low	46.1	Very low	64 Å²	64	135.8 Å²	135.8	66%	0.66	72%	0.722	S	S	*	*			trans	-63.6	140.2	170.3	0	0	0	0	0	108.6	P333 R337	P333-G335 VanDerWaalsContact C-N 3.34Å; P333-G335 PolarHBondContact O-N 2.59Å; G335-R337 PolarHBondContact O-N 3.35Å
336	D	45.2	Very low	48	Very low	162 Å²	162	129.5 Å²	129.5	87%	0.866	71%	0.705	S	S	*	*			trans	-38.7	119.3	-177.2	-65.3	-52.2	0	0	0	111.9
337	R	33.7	Very low	50.4	Low	229 Å²	229	121 Å²	121	86%	0.864	67%	0.665	S	S	*	*			trans	-53.3	134.5	164.4	-77.4	176.7	173.4	172.1	-2.8	107.4	G335 S339	G335-R337 PolarHBondContact O-N 3.35Å; R337-S339 PolarHBondContact O-N 3.4Å
338	P	39	Very low	52.9	Low	123 Å²	123	117.7 Å²	117.7	80%	0.799	65%	0.647	S	S	*	*			trans	-58	118	175.9	18.6	-25.6	0	0	0	108.6	H340	P338-H340 PolarHBondContact O-N 3.11Å
339	S	43.7	Very low	55.3	Low	101 Å²	101	112.2 Å²	112.2	71%	0.706	63%	0.633	S	S	*	*			trans	-45.6	134.6	171.4	-30.3	0	0	0	0	108.6	R337	R337-S339 PolarHBondContact O-N 3.4Å
340	H	50.6	Low	57.6	Low	160 Å²	160	107.3 Å²	107.3	74%	0.741	60%	0.601	S	S	*	*			trans	-47.5	141.1	170.2	-78.1	-59.3	0	0	0	109.9	P338 N342 A343	P338-H340 PolarHBondContact O-N 3.11Å; H340-N342 PolarHBondContact O-N 3.31Å; H340-A343 PolarHBondContact O-N 2.94Å
341	P	50.8	Low	60	Low	118 Å²	118	103.4 Å²	103.4	77%	0.766	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.8	-16.8	-172.7	-26.1	32.5	0	0	0	115.7
342	N	54	Low	62.6	Low	132 Å²	132	93 Å²	93	71%	0.706	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123	19.2	-176.8	-65.9	-6.5	0	0	0	113.8	H340	H340-N342 PolarHBondContact O-N 3.31Å
343	A	64.8	Low	65.3	Low	52 Å²	52	86.7 Å²	86.7	43%	0.43	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-73.9	133.7	172.8	0	0	0	0	0	110.5	H340 P345	H340-A343 PolarHBondContact O-N 2.94Å; A343-P345 WeakPolarHBondContact O-CD 3.19Å
344	I	74.8	Confident	67.5	Low	110 Å²	110	81.8 Å²	81.8	56%	0.564	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-59	121.8	175.4	-61.3	173.9	0	0	0	108.8	W369 P383	I344-W369 HydrophobicContact CD1-CH2 4.33Å; I344-W369 HydrophobicContact CG1-CH2 3.71Å; I344-W369 HydrophobicContact CG1-CZ2 3.77Å; I344-W369 HydrophobicContact CG1-CZ3 4.28Å; I344-P383 HydrophobicContact CG2-CG 3.38Å
345	P	83.5	Confident	70.1	Confident	22 Å²	22	75.5 Å²	75.5	14%	0.143	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-65.1	142.1	-179.3	-17.1	28.2	0	0	0	110.5	A343 I347 K366 W369 W371	A343-P345 WeakPolarHBondContact O-CD 3.19Å; P345-I347 PolarHBondContact O-N 3.08Å; P345-K366 HydrophobicContact CB-CD 3.9Å; P345-K366 HydrophobicContact CG-CD 4.34Å; P345-W369 VanDerWaalsContact CD-NE1 3.33Å; P345-W369 VanDerWaalsContact CG-CD1 3.47Å; P345-W369 HydrophobicContact CG-CG 4.11Å; P345-W371 HydrophobicContact CB-CH2 3.85Å; P345-W371 HydrophobicContact CB-CZ2 4.07Å; P345-W371 HydrophobicContact CG-CH2 3.86Å; P345-W371 HydrophobicContact CG-CZ2 4.34Å; P345-W371 WeakPolarHBondContact O-CZ2 3.29Å
346	N	84.7	Confident	72.8	Confident	87 Å²	87	72.5 Å²	72.5	47%	0.465	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-75.9	128.2	167.9	-175	-18.7	0	0	0	108.6	C348 D349	N346-C348 PolarHBondContact O-N 2.91Å; N346-C348 WeakPolarHBondContact OD1-CB 3.07Å; N346-C348 PolarHBondContact OD1-N 2.73Å; N346-D349 WeakPolarHBondContact CB-OD2 3.38Å; N346-D349 WeakPolarHBondContact O-CB 3.36Å; N346-D349 PolarHBondContact O-N 3.34Å
347	I	87	Confident	75	Confident	17 Å²	17	67.5 Å²	67.5	9%	0.087	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-60.3	-29.9	178.5	-162.8	170.5	0	0	0	111.7	P345 D349 G350 F352 W371 M373 V378 M535	P345-I347 PolarHBondContact O-N 3.08Å; I347-D349 PolarHBondContact O-N 3.12Å; I347-G350 PolarHBondContact O-N 3.07Å; I347-F352 HydrophobicContact CG1-CE1 4.19Å; I347-F352 HydrophobicContact CG1-CZ 3.96Å; I347-F352 VanDerWaalsContact O-CZ 3.31Å; I347-F352 WeakPolarHBondContact O-CZ 3.4Å; I347-W371 HydrophobicContact CD1-CB 4.12Å; I347-W371 HydrophobicContact CD1-CD2 4.27Å; I347-W371 HydrophobicContact CD1-CG 3.77Å; I347-W371 HydrophobicContact CG1-CD2 4.4Å; I347-W371 HydrophobicContact CG1-CG 4.39Å; I347-M373 HydrophobicContact CD1-CE 4.04Å; I347-M373 HydrophobicContact CD1-SD 3.47Å; I347-M373 WeakPolarHBondContact CD1-SD 3.27Å; I347-V378 HydrophobicContact CD1-CG2 3.41Å; I347-V378 VanDerWaalsContact CD1-CG2 3.41Å; I347-V378 HydrophobicContact CG2-CG2 4.25Å; I347-M535 HydrophobicContact CD1-CB 4.39Å; I347-M535 HydrophobicContact CD1-CG 4.4Å; I347-M535 HydrophobicContact CD1-SD 3.49Å; I347-M535 WeakPolarHBondContact CD1-SD 3.5Å; I347-M535 HydrophobicContact CG1-CB 4.28Å; I347-M535 HydrophobicContact CG1-CG 4.19Å; I347-M535 HydrophobicContact CG1-SD 3.68Å
348	C	88.4	Confident	77.5	Confident	57 Å²	57	56.6 Å²	56.6	39%	0.385	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-74.9	-8.6	178	-58.3	0	0	0	0	114.1	N346 G350 V531 C537	N346-C348 PolarHBondContact O-N 2.91Å; N346-C348 WeakPolarHBondContact OD1-CB 3.07Å; N346-C348 PolarHBondContact OD1-N 2.73Å; C348-G350 PolarHBondContact O-N 2.73Å; C348-V531 HydrophobicContact CB-CG1 4.19Å; C348-C537 WeakPolarHBondContact CA-SG 3.44Å; C348-C537 HydrophobicContact CB-CB 3.81Å; C348-C537 WeakPolarHBondContact CB-SG 3.41Å; C348-C537 WeakPolarHBondContact SG-CB 3.42Å; C348-C537 CovalentContact SG-SG 2.04Å; C348-C537 PolarHBondContact SG-SG 3.21Å
349	D	85.6	Confident	79.6	Confident	85 Å²	85	55.9 Å²	55.9	46%	0.455	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-72.6	-24.4	175.1	-62.4	-20.5	0	0	0	111.4	N346 I347 K510	N346-D349 WeakPolarHBondContact CB-OD2 3.38Å; N346-D349 WeakPolarHBondContact O-CB 3.36Å; N346-D349 PolarHBondContact O-N 3.34Å; I347-D349 PolarHBondContact O-N 3.12Å; D349-K510 WeakPolarHBondContact O-CE 3.36Å; D349-K510 PolarHBondContact O-NZ 2.92Å
350	G	87	Confident	81.5	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.01	33%	0.329	C	S	.	.			trans	68.3	-154.6	-172.8	0	0	0	0	0	112.7	I347 C348 K366	I347-G350 PolarHBondContact O-N 3.07Å; C348-G350 PolarHBondContact O-N 2.73Å; G350-K366 WeakPolarHBondContact O-CE 3.3Å; G350-K366 PolarHBondContact O-NZ 3.23Å
351	G	87.8	Confident	83.1	Confident	39 Å²	39	55.6 Å²	55.6	40%	0.402	30%	0.298	S	S	.	.			trans	70.6	45	178.2	0	0	0	0	0	113.1
352	F	92.8	Very high	84.9	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.266	C	S	.	.			trans	-72.4	151.4	178.9	-48.4	-56	0	0	0	110.4	I347 V355 V364 F365 K366 Y507 F530 V531 M535	I347-F352 HydrophobicContact CG1-CE1 4.19Å; I347-F352 HydrophobicContact CG1-CZ 3.96Å; I347-F352 VanDerWaalsContact O-CZ 3.31Å; I347-F352 WeakPolarHBondContact O-CZ 3.4Å; F352-V355 HydrophobicContact CB-CG2 4.26Å; F352-V355 HydrophobicContact CD2-CG2 4.17Å; F352-V364 HydrophobicContact CB-CG1 3.93Å; F352-V364 HydrophobicContact CD1-CG1 3.28Å; F352-V364 HydrophobicContact CD2-CG1 3.63Å; F352-V364 HydrophobicContact CE1-CG1 3.56Å; F352-V364 HydrophobicContact CE2-CG1 3.88Å; F352-V364 HydrophobicContact CG-CG1 3.32Å; F352-V364 HydrophobicContact CZ-CG1 3.84Å; F352-F365 CarbonylContact C-O 3.57Å; F352-K366 HydrophobicContact CD1-CB 4.12Å; F352-K366 HydrophobicContact CD1-CD 4.05Å; F352-K366 HydrophobicContact CD1-CG 4.47Å; F352-K366 HydrophobicContact CE1-CD 4.41Å; F352-Y507 HydrophobicContact CB-CE1 3.86Å; F352-Y507 HydrophobicContact CD2-CE1 4.21Å; F352-Y507 HydrophobicContact CD2-CE2 4.16Å; F352-Y507 AromaticContact CD2-CZ 3.65Å; F352-Y507 WeakPolarHBondContact CD2-OH 3.35Å; F352-Y507 PolarHBondContact N-OH 3.42Å; F352-F530 HydrophobicContact CD2-CD1 4.17Å; F352-F530 HydrophobicContact CD2-CE1 4.03Å; F352-F530 AromaticContact CE2-CD1 3.85Å; F352-F530 HydrophobicContact CE2-CD1 3.85Å; F352-F530 AromaticContact CE2-CE1 3.81Å; F352-F530 HydrophobicContact CE2-CE1 3.81Å; F352-V531 HydrophobicContact CE2-CG2 4.43Å; F352-M535 HydrophobicContact CE2-CG 4.27Å; F352-M535 HydrophobicContact CE2-SD 4.06Å; F352-M535 HydrophobicContact CZ-CG 4.21Å; F352-M535 HydrophobicContact CZ-SD 3.95Å
353	N	93	Very high	86.7	Confident	24 Å²	24	45.4 Å²	45.4	13%	0.128	24%	0.235	C	C	.	.	S	Bend	trans	-71.7	-47.7	173.1	-52.6	134.1	0	0	0	110.5	F365 K366 D367 K396 I397	N353-F365 PolarHBondContact N-O 3.35Å; N353-K366 WeakPolarHBondContact OD1-CA 3.43Å; N353-D367 WeakPolarHBondContact OD1-CA 3.37Å; N353-D367 PolarHBondContact OD1-N 3.05Å; N353-K396 WeakPolarHBondContact ND2-CE 3.49Å; N353-K396 PolarHBondContact ND2-NZ 3.07Å; N353-I397 WeakPolarHBondContact CB-O 3.38Å
354	T	94.5	Very high	88.1	Confident	2 Å²	2	43 Å²	43	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	161.4	175.4	-162.8	0	0	0	0	111.4	F365 I397 V400 Q493	T354-F365 HydrophobicContact CG2-CB 4.02Å; T354-F365 HydrophobicContact CG2-CD2 3.8Å; T354-F365 HydrophobicContact CG2-CG 4.12Å; T354-F365 PolarHBondContact N-O 3.02Å; T354-F365 PolarHBondContact O-N 3.08Å; T354-I397 HydrophobicContact CG2-CD1 3.75Å; T354-I397 HydrophobicContact CG2-CG1 3.97Å; T354-V400 HydrophobicContact CG2-CG1 3.97Å; T354-Q493 VanDerWaalsContact CA-O 3.26Å; T354-Q493 WeakPolarHBondContact CA-O 3.38Å; T354-Q493 VanDerWaalsContact CB-O 3.23Å; T354-Q493 WeakPolarHBondContact CB-O 3.2Å; T354-Q493 PolarHBondContact OG1-O 3.19Å
355	V	95	Very high	89	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	133.4	176.5	-177.8	0	0	0	0	107.9	F352 M362 F363 V364 A495 F496 Y507 F530	F352-V355 HydrophobicContact CB-CG2 4.26Å; F352-V355 HydrophobicContact CD2-CG2 4.17Å; V355-M362 HydrophobicContact CG1-CG 3.88Å; V355-M362 HydrophobicContact CG1-SD 4.12Å; V355-F363 WeakPolarHBondContact CA-O 3.11Å; V355-V364 HydrophobicContact CG1-CG2 4.18Å; V355-V364 HydrophobicContact CG2-CG1 4.18Å; V355-V364 HydrophobicContact CG2-CG2 4.28Å; V355-A495 PolarHBondContact O-N 3.06Å; V355-F496 HydrophobicContact CG1-CD1 4.19Å; V355-F496 HydrophobicContact CG1-CE1 4.18Å; V355-Y507 HydrophobicContact CG2-CD1 3.93Å; V355-Y507 HydrophobicContact CG2-CE1 4.18Å; V355-Y507 HydrophobicContact CG2-CG 4.31Å; V355-F530 HydrophobicContact CB-CZ 4.46Å; V355-F530 HydrophobicContact CG1-CZ 3.9Å; V355-F530 HydrophobicContact CG2-CE1 4.09Å; V355-F530 HydrophobicContact CG2-CZ 4.1Å
356	A	93.4	Very high	89.4	Confident	2 Å²	2	38 Å²	38	2%	0.017	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	158.9	177.6	0	0	0	0	0	111.1	L358 F363 V400	A356-L358 HydrophobicContact CB-CD2 4.41Å; A356-F363 PolarHBondContact N-O 2.89Å; A356-F363 PolarHBondContact O-N 3.3Å; A356-V400 HydrophobicContact CB-CG1 3.71Å; A356-V400 WeakPolarHBondContact CB-O 3.48Å
357	I	90.4	Very high	89.6	Confident	56 Å²	56	36.8 Å²	36.8	29%	0.287	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	122	166.1	-69.9	177.1	0	0	0	108.1	E361 M362 F496	I357-E361 CarbonylContact C-O 3.56Å; I357-E361 WeakPolarHBondContact CA-O 3.48Å; I357-M362 HydrophobicContact CG1-CB 4.36Å; I357-F496 HydrophobicContact CB-CB 4.1Å; I357-F496 HydrophobicContact CD1-CB 3.96Å; I357-F496 HydrophobicContact CD1-CD2 3.41Å; I357-F496 VanDerWaalsContact CD1-CD2 3.41Å; I357-F496 HydrophobicContact CD1-CE2 4.17Å; I357-F496 HydrophobicContact CD1-CG 3.94Å; I357-F496 HydrophobicContact CG1-CB 3.73Å; I357-F496 HydrophobicContact CG1-CD2 3.92Å; I357-F496 HydrophobicContact CG1-CG 3.93Å
358	L	86.9	Confident	89.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.2	175.2	-52.3	175.4	0	0	0	107.5	A356 R360 E361 F363 F365 W390 V400 E402 F408	A356-L358 HydrophobicContact CB-CD2 4.41Å; L358-R360 PolarHBondContact O-N 3.35Å; L358-R360 VanDerWaalsContact O-N 3.16Å; L358-E361 PolarHBondContact N-O 2.97Å; L358-E361 PolarHBondContact O-N 3.13Å; L358-F363 HydrophobicContact CB-CD2 3.75Å; L358-F363 HydrophobicContact CB-CE2 3.89Å; L358-F363 HydrophobicContact CD1-CB 4.37Å; L358-F363 HydrophobicContact CD1-CD2 4.02Å; L358-F363 HydrophobicContact CD1-CG 4.16Å; L358-F363 HydrophobicContact CG-CD2 4.02Å; L358-F365 HydrophobicContact CD1-CZ 4.5Å; L358-W390 HydrophobicContact CD1-CH2 4.45Å; L358-W390 HydrophobicContact CD1-CZ2 4.4Å; L358-V400 HydrophobicContact CD1-CG2 4.23Å; L358-V400 HydrophobicContact CD2-CG2 4.17Å; L358-E402 HydrophobicContact CD2-CB 4.08Å; L358-F408 HydrophobicContact CB-CD1 4.34Å; L358-F408 HydrophobicContact CB-CE1 4.02Å; L358-F408 HydrophobicContact CB-CZ 4.26Å; L358-F408 HydrophobicContact CD1-CD2 4.44Å; L358-F408 HydrophobicContact CD1-CG 4.36Å; L358-F408 HydrophobicContact CD2-CD1 4.05Å; L358-F408 HydrophobicContact CD2-CG 4.47Å
359	R	83.7	Confident	89.6	Confident	109 Å²	109	37 Å²	37	41%	0.411	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	39.9	-177.5	-60.4	-67.8	-164.8	-154.9	6.5	113.4	E361 E402 G406 F408 D421	R359-E361 VanDerWaalsContact C-N 3.28Å; R359-E361 PolarHBondContact O-N 2.79Å; R359-E402 IonicContact CZ-OE1 3.86Å; R359-E402 PolarHBondContact N-OE2 3.32Å; R359-E402 IonicContact NE-OE1 3.16Å; R359-E402 IonicContact NH1-OE1 2.77Å; R359-E402 PolarHBondContact NH1-OE1 2.97Å; R359-G406 PolarHBondContact NH1-O 3.37Å; R359-G406 PolarHBondContact NH2-O 3.02Å; R359-G406 VanDerWaalsContact NH2-O 3.14Å; R359-F408 HydrophobicContact CG-CE1 3.91Å; R359-F408 HydrophobicContact CG-CZ 3.63Å; R359-D421 IonicContact CZ-OD1 3.99Å; R359-D421 IonicContact NE-OD1 2.73Å; R359-D421 PolarHBondContact NE-OD1 3.43Å; R359-D421 IonicContact NH2-OD1 3.76Å; R359-D421 PolarHBondContact NH2-OD1 3.13Å
360	R	82.9	Confident	89.8	Confident	236 Å²	236	33 Å²	33	89%	0.891	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.8	16.8	-179.7	-48.2	174.2	66.9	-179.8	2.2	115.2	L358	L358-R360 PolarHBondContact O-N 3.35Å; L358-R360 VanDerWaalsContact O-N 3.16Å
361	E	83	Confident	90	Very high	19 Å²	19	33.2 Å²	33.2	9%	0.089	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	147.3	176.5	-63.6	172.2	128	0	0	111.2	I357 L358 R359 F363 R372 R374	I357-E361 CarbonylContact C-O 3.56Å; I357-E361 WeakPolarHBondContact CA-O 3.48Å; L358-E361 PolarHBondContact N-O 2.97Å; L358-E361 PolarHBondContact O-N 3.13Å; R359-E361 VanDerWaalsContact C-N 3.28Å; R359-E361 PolarHBondContact O-N 2.79Å; E361-F363 HydrophobicContact CB-CE2 4.1Å; E361-F363 WeakPolarHBondContact O-CD2 3.37Å; E361-R372 HydrophobicContact CB-CG 4.47Å; E361-R372 IonicContact OE1-CZ 3.59Å; E361-R372 IonicContact OE1-NE 3.08Å; E361-R372 PolarHBondContact OE1-NE 2.95Å; E361-R372 VanDerWaalsContact OE1-NE 3.15Å; E361-R372 IonicContact OE1-NH2 3.52Å; E361-R372 PolarHBondContact OE1-NH2 3.46Å; E361-R372 IonicContact OE2-CZ 3.88Å; E361-R372 IonicContact OE2-NE 3.03Å; E361-R372 PolarHBondContact OE2-NE 2.82Å; E361-R372 IonicContact OE2-NH2 3.44Å; E361-R372 PolarHBondContact OE2-NH2 2.87Å; E361-R374 IonicContact OE1-CZ 3.45Å; E361-R374 IonicContact OE1-NE 2.59Å; E361-R374 IonicContact OE1-NH2 2.74Å; E361-R374 PolarHBondContact OE1-NH2 2.93Å
362	M	89.3	Confident	89.9	Confident	20 Å²	20	34.9 Å²	34.9	10%	0.099	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	123.5	-178.6	172.2	-179.9	-61	0	0	110.2	V355 I357 V364 R372 M373 F496 F530 F534 M535	V355-M362 HydrophobicContact CG1-CG 3.88Å; V355-M362 HydrophobicContact CG1-SD 4.12Å; I357-M362 HydrophobicContact CG1-CB 4.36Å; M362-V364 HydrophobicContact CG-CG2 4.15Å; M362-V364 HydrophobicContact SD-CG2 4.37Å; M362-R372 CarbonylContact O-C 3.56Å; M362-R372 WeakPolarHBondContact O-CA 3.38Å; M362-M373 HydrophobicContact CB-CB 4.03Å; M362-M373 HydrophobicContact CG-CB 4.16Å; M362-M373 HydrophobicContact CG-CG 4.4Å; M362-M373 PolarHBondContact N-O 2.85Å; M362-M373 PolarHBondContact O-N 2.68Å; M362-M373 HydrophobicContact SD-CB 4.3Å; M362-M373 HydrophobicContact SD-CG 4.46Å; M362-F496 HydrophobicContact CE-CD1 4.47Å; M362-F496 HydrophobicContact CE-CE1 3.8Å; M362-F496 HydrophobicContact CE-CE2 3.85Å; M362-F496 HydrophobicContact CE-CZ 3.44Å; M362-F496 VanDerWaalsContact CE-CZ 3.44Å; M362-F530 HydrophobicContact CE-CZ 4.49Å; M362-F530 HydrophobicContact SD-CZ 4Å; M362-F534 HydrophobicContact CE-CD1 3.54Å; M362-F534 HydrophobicContact CE-CE1 3.92Å; M362-F534 HydrophobicContact CE-CG 4.27Å; M362-F534 HydrophobicContact SD-CB 4.38Å; M362-F534 HydrophobicContact SD-CD1 4.34Å; M362-M535 HydrophobicContact SD-CE 3.74Å
363	F	92.8	Very high	89.5	Confident	16 Å²	16	35.2 Å²	35.2	7%	0.07	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.3	171.4	-72.6	-99.7	0	0	0	109.6	V355 A356 L358 E361 F365 V370 W371 R372 W390	V355-F363 WeakPolarHBondContact CA-O 3.11Å; A356-F363 PolarHBondContact N-O 2.89Å; A356-F363 PolarHBondContact O-N 3.3Å; L358-F363 HydrophobicContact CB-CD2 3.75Å; L358-F363 HydrophobicContact CB-CE2 3.89Å; L358-F363 HydrophobicContact CD1-CB 4.37Å; L358-F363 HydrophobicContact CD1-CD2 4.02Å; L358-F363 HydrophobicContact CD1-CG 4.16Å; L358-F363 HydrophobicContact CG-CD2 4.02Å; E361-F363 HydrophobicContact CB-CE2 4.1Å; E361-F363 WeakPolarHBondContact O-CD2 3.37Å; F363-F365 HydrophobicContact CB-CD2 4.39Å; F363-F365 HydrophobicContact CB-CE2 3.51Å; F363-F365 HydrophobicContact CB-CZ 3.9Å; F363-V370 HydrophobicContact CD1-CG1 3.75Å; F363-W371 CarbonylContact C-O 3.47Å; F363-W371 VanDerWaalsContact CA-O 3.32Å; F363-W371 WeakPolarHBondContact CA-O 3.14Å; F363-R372 HydrophobicContact CD1-CB 4.4Å; F363-R372 HydrophobicContact CD1-CG 4.45Å; F363-R372 HydrophobicContact CE1-CB 4.15Å; F363-R372 HydrophobicContact CE1-CG 3.95Å; F363-R372 HydrophobicContact CE2-CG 4.19Å; F363-R372 HydrophobicContact CZ-CG 3.8Å; F363-W390 HydrophobicContact CD1-CH2 4.14Å; F363-W390 HydrophobicContact CE1-CH2 4.18Å
364	V	93.8	Very high	88.8	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.2	179.4	179.6	0	0	0	0	107.7	F352 V355 M362 V370 W371 M373 M535	F352-V364 HydrophobicContact CB-CG1 3.93Å; F352-V364 HydrophobicContact CD1-CG1 3.28Å; F352-V364 HydrophobicContact CD2-CG1 3.63Å; F352-V364 HydrophobicContact CE1-CG1 3.56Å; F352-V364 HydrophobicContact CE2-CG1 3.88Å; F352-V364 HydrophobicContact CG-CG1 3.32Å; F352-V364 HydrophobicContact CZ-CG1 3.84Å; V355-V364 HydrophobicContact CG1-CG2 4.18Å; V355-V364 HydrophobicContact CG2-CG1 4.18Å; V355-V364 HydrophobicContact CG2-CG2 4.28Å; M362-V364 HydrophobicContact CG-CG2 4.15Å; M362-V364 HydrophobicContact SD-CG2 4.37Å; V364-V370 CarbonylContact O-C 3.56Å; V364-V370 VanDerWaalsContact O-CA 3.3Å; V364-V370 WeakPolarHBondContact O-CA 3.44Å; V364-W371 HydrophobicContact CB-CB 4.27Å; V364-W371 HydrophobicContact CB-CE3 4.37Å; V364-W371 HydrophobicContact CG1-CE3 4.2Å; V364-W371 PolarHBondContact N-O 2.97Å; V364-W371 PolarHBondContact O-N 2.92Å; V364-M373 HydrophobicContact CG2-CG 3.95Å; V364-M535 HydrophobicContact CG2-CE 3.83Å; V364-M535 HydrophobicContact CG2-SD 4.05Å
365	F	93.6	Very high	88	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127	-176.1	-62.1	-98.9	0	0	0	110.1	F352 N353 T354 L358 F363 V370 I386 W390 I397 V400 F410	F352-F365 CarbonylContact C-O 3.57Å; N353-F365 PolarHBondContact N-O 3.35Å; T354-F365 HydrophobicContact CG2-CB 4.02Å; T354-F365 HydrophobicContact CG2-CD2 3.8Å; T354-F365 HydrophobicContact CG2-CG 4.12Å; T354-F365 PolarHBondContact N-O 3.02Å; T354-F365 PolarHBondContact O-N 3.08Å; L358-F365 HydrophobicContact CD1-CZ 4.5Å; F363-F365 HydrophobicContact CB-CD2 4.39Å; F363-F365 HydrophobicContact CB-CE2 3.51Å; F363-F365 HydrophobicContact CB-CZ 3.9Å; F365-V370 HydrophobicContact CD1-CB 4.42Å; F365-V370 HydrophobicContact CD1-CG1 4.15Å; F365-V370 HydrophobicContact CD1-CG2 3.59Å; F365-V370 HydrophobicContact CE1-CB 4.46Å; F365-V370 HydrophobicContact CE1-CG1 3.9Å; F365-V370 HydrophobicContact CE1-CG2 3.69Å; F365-V370 HydrophobicContact CZ-CG1 4.19Å; F365-I386 HydrophobicContact CD1-CD1 4.15Å; F365-I386 HydrophobicContact CD1-CG1 4.2Å; F365-W390 HydrophobicContact CE1-CE3 4.42Å; F365-W390 HydrophobicContact CE1-CH2 4.22Å; F365-W390 AromaticContact CE1-CZ3 3.66Å; F365-W390 HydrophobicContact CE1-CZ3 3.66Å; F365-W390 HydrophobicContact CZ-CH2 4.06Å; F365-W390 AromaticContact CZ-CZ3 3.99Å; F365-W390 HydrophobicContact CZ-CZ3 3.99Å; F365-I397 HydrophobicContact CB-CD1 4.16Å; F365-I397 HydrophobicContact CB-CG1 4.14Å; F365-I397 HydrophobicContact CD1-CD1 3.42Å; F365-I397 VanDerWaalsContact CD1-CD1 3.42Å; F365-I397 HydrophobicContact CD1-CG1 4.03Å; F365-I397 HydrophobicContact CD2-CD1 4.03Å; F365-I397 HydrophobicContact CE1-CD1 3.7Å; F365-I397 HydrophobicContact CE2-CD1 4.28Å; F365-I397 HydrophobicContact CG-CD1 3.61Å; F365-I397 HydrophobicContact CG-CG1 4.13Å; F365-I397 HydrophobicContact CZ-CD1 4.13Å; F365-V400 HydrophobicContact CD2-CG1 4.17Å; F365-V400 HydrophobicContact CE2-CG1 3.62Å; F365-V400 HydrophobicContact CZ-CG1 4.11Å; F365-F410 HydrophobicContact CE1-CE1 4.05Å; F365-F410 HydrophobicContact CZ-CE1 4.03Å
366	K	92	Very high	87.3	Confident	27 Å²	27	50.8 Å²	50.8	12%	0.117	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	115.3	175.3	-167.2	176.6	169.4	173.4	0	110.9	P345 G350 F352 N353 H368 W369 W371	P345-K366 HydrophobicContact CB-CD 3.9Å; P345-K366 HydrophobicContact CG-CD 4.34Å; G350-K366 WeakPolarHBondContact O-CE 3.3Å; G350-K366 PolarHBondContact O-NZ 3.23Å; F352-K366 HydrophobicContact CD1-CB 4.12Å; F352-K366 HydrophobicContact CD1-CD 4.05Å; F352-K366 HydrophobicContact CD1-CG 4.47Å; F352-K366 HydrophobicContact CE1-CD 4.41Å; N353-K366 WeakPolarHBondContact OD1-CA 3.43Å; K366-H368 PolarHBondContact O-N 3.43Å; K366-W369 PolarHBondContact N-O 2.88Å; K366-W369 WeakPolarHBondContact O-CB 3.41Å; K366-W369 PolarHBondContact O-N 3.25Å; K366-W371 HydrophobicContact CB-CH2 3.81Å; K366-W371 HydrophobicContact CB-CZ3 3.43Å; K366-W371 VanDerWaalsContact CB-CZ3 3.43Å; K366-W371 HydrophobicContact CD-CH2 4.32Å
367	D	88.7	Confident	86.5	Confident	63 Å²	63	53.7 Å²	53.7	34%	0.337	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	-122.2	-169.3	-53.6	-52.6	0	0	0	108.4	N353 W369 I386 S395 K396	N353-D367 WeakPolarHBondContact OD1-CA 3.37Å; N353-D367 PolarHBondContact OD1-N 3.05Å; D367-W369 VanDerWaalsContact C-N 3.31Å; D367-W369 PolarHBondContact O-N 2.92Å; D367-I386 WeakPolarHBondContact O-CD1 3.36Å; D367-S395 CarbonylContact C-O 3.58Å; D367-K396 IonicContact OD1-NZ 2.81Å; D367-K396 PolarHBondContact OD1-NZ 2.86Å; D367-K396 VanDerWaalsContact OD1-NZ 3.17Å
368	H	87.6	Confident	85.9	Confident	46 Å²	46	53.3 Å²	53.3	21%	0.213	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	3.1	-180	54.4	-110.6	0	0	0	115	K366 L385 I386 S395	K366-H368 PolarHBondContact O-N 3.43Å; H368-L385 HydrophobicContact CB-CD2 4.37Å; H368-L385 WeakPolarHBondContact CD2-CD2 3.48Å; H368-L385 CarbonylContact O-C 3.5Å; H368-L385 VanDerWaalsContact O-CA 3.25Å; H368-L385 WeakPolarHBondContact O-CA 3.3Å; H368-I386 PolarHBondContact O-N 2.87Å; H368-S395 WeakPolarHBondContact CA-O 3.39Å; H368-S395 WeakPolarHBondContact CB-O 3.38Å; H368-S395 PolarHBondContact N-O 2.92Å
369	W	87.1	Confident	85.2	Confident	33 Å²	33	54.8 Å²	54.8	13%	0.125	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	144.3	-177	-60.5	95.7	0	0	0	112.4	I344 P345 K366 D367 W371 P383 M384 L385	I344-W369 HydrophobicContact CD1-CH2 4.33Å; I344-W369 HydrophobicContact CG1-CH2 3.71Å; I344-W369 HydrophobicContact CG1-CZ2 3.77Å; I344-W369 HydrophobicContact CG1-CZ3 4.28Å; P345-W369 VanDerWaalsContact CD-NE1 3.33Å; P345-W369 VanDerWaalsContact CG-CD1 3.47Å; P345-W369 HydrophobicContact CG-CG 4.11Å; K366-W369 PolarHBondContact N-O 2.88Å; K366-W369 WeakPolarHBondContact O-CB 3.41Å; K366-W369 PolarHBondContact O-N 3.25Å; D367-W369 VanDerWaalsContact C-N 3.31Å; D367-W369 PolarHBondContact O-N 2.92Å; W369-W371 HydrophobicContact CB-CH2 3.62Å; W369-W371 HydrophobicContact CB-CZ2 4.33Å; W369-W371 HydrophobicContact CB-CZ3 3.78Å; W369-W371 HydrophobicContact CG-CH2 4.42Å; W369-P383 HydrophobicContact CB-CB 4.11Å; W369-P383 HydrophobicContact CD2-CB 4.38Å; W369-P383 HydrophobicContact CE3-CB 3.84Å; W369-P383 HydrophobicContact CE3-CG 4.11Å; W369-M384 CarbonylContact C-O 3.54Å; W369-M384 WeakPolarHBondContact CA-O 3.32Å; W369-L385 HydrophobicContact CD2-CD2 4.2Å; W369-L385 HydrophobicContact CE3-CD2 4.03Å; W369-L385 HydrophobicContact CH2-CD2 3.92Å; W369-L385 HydrophobicContact CZ2-CD2 4.06Å; W369-L385 HydrophobicContact CZ3-CD2 3.91Å; W369-L385 HydrophobicContact CZ3-CG 4.33Å
370	V	90	Very high	83.7	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.1	172.7	-171.2	0	0	0	0	108.4	F363 V364 F365 F382 P383 M384 I386 W390	F363-V370 HydrophobicContact CD1-CG1 3.75Å; V364-V370 CarbonylContact O-C 3.56Å; V364-V370 VanDerWaalsContact O-CA 3.3Å; V364-V370 WeakPolarHBondContact O-CA 3.44Å; F365-V370 HydrophobicContact CD1-CB 4.42Å; F365-V370 HydrophobicContact CD1-CG1 4.15Å; F365-V370 HydrophobicContact CD1-CG2 3.59Å; F365-V370 HydrophobicContact CE1-CB 4.46Å; F365-V370 HydrophobicContact CE1-CG1 3.9Å; F365-V370 HydrophobicContact CE1-CG2 3.69Å; F365-V370 HydrophobicContact CZ-CG1 4.19Å; V370-F382 WeakPolarHBondContact O-CD1 3.31Å; V370-P383 CarbonylContact O-C 3.44Å; V370-P383 WeakPolarHBondContact O-CA 3.32Å; V370-P383 WeakPolarHBondContact O-CB 3.22Å; V370-M384 PolarHBondContact N-O 2.76Å; V370-M384 PolarHBondContact O-N 2.91Å; V370-I386 HydrophobicContact CG2-CB 4.1Å; V370-I386 HydrophobicContact CG2-CD1 4.29Å; V370-I386 HydrophobicContact CG2-CG1 3.19Å; V370-W390 HydrophobicContact CG1-CZ3 4.46Å; V370-W390 HydrophobicContact CG2-CZ3 4.3Å
371	W	91.3	Very high	82.4	Confident	5 Å²	5	45.9 Å²	45.9	2%	0.019	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	144.2	163.2	-61.3	-102	0	0	0	109.5	P345 I347 F363 V364 K366 W369 M373 P383	P345-W371 HydrophobicContact CB-CH2 3.85Å; P345-W371 HydrophobicContact CB-CZ2 4.07Å; P345-W371 HydrophobicContact CG-CH2 3.86Å; P345-W371 HydrophobicContact CG-CZ2 4.34Å; P345-W371 WeakPolarHBondContact O-CZ2 3.29Å; I347-W371 HydrophobicContact CD1-CB 4.12Å; I347-W371 HydrophobicContact CD1-CD2 4.27Å; I347-W371 HydrophobicContact CD1-CG 3.77Å; I347-W371 HydrophobicContact CG1-CD2 4.4Å; I347-W371 HydrophobicContact CG1-CG 4.39Å; F363-W371 CarbonylContact C-O 3.47Å; F363-W371 VanDerWaalsContact CA-O 3.32Å; F363-W371 WeakPolarHBondContact CA-O 3.14Å; V364-W371 HydrophobicContact CB-CB 4.27Å; V364-W371 HydrophobicContact CB-CE3 4.37Å; V364-W371 HydrophobicContact CG1-CE3 4.2Å; V364-W371 PolarHBondContact N-O 2.97Å; V364-W371 PolarHBondContact O-N 2.92Å; K366-W371 HydrophobicContact CB-CH2 3.81Å; K366-W371 HydrophobicContact CB-CZ3 3.43Å; K366-W371 VanDerWaalsContact CB-CZ3 3.43Å; K366-W371 HydrophobicContact CD-CH2 4.32Å; W369-W371 HydrophobicContact CB-CH2 3.62Å; W369-W371 HydrophobicContact CB-CZ2 4.33Å; W369-W371 HydrophobicContact CB-CZ3 3.78Å; W369-W371 HydrophobicContact CG-CH2 4.42Å; W371-M373 HydrophobicContact CB-SD 4.28Å; W371-P383 HydrophobicContact CD2-CB 3.84Å; W371-P383 VanDerWaalsContact CE2-CB 3.42Å; W371-P383 HydrophobicContact CG-CB 4.07Å; W371-P383 HydrophobicContact CH2-CB 4.37Å; W371-P383 HydrophobicContact CZ2-CB 3.73Å; W371-P383 HydrophobicContact CZ2-CG 3.81Å
372	R	86.1	Confident	81.8	Confident	74 Å²	74	46.3 Å²	46.3	28%	0.279	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.9	167.4	-169.2	178.3	168.9	-171.1	1.4	107.6	E361 M362 F363 L379 F382	E361-R372 HydrophobicContact CB-CG 4.47Å; E361-R372 IonicContact OE1-CZ 3.59Å; E361-R372 IonicContact OE1-NE 3.08Å; E361-R372 PolarHBondContact OE1-NE 2.95Å; E361-R372 VanDerWaalsContact OE1-NE 3.15Å; E361-R372 IonicContact OE1-NH2 3.52Å; E361-R372 PolarHBondContact OE1-NH2 3.46Å; E361-R372 IonicContact OE2-CZ 3.88Å; E361-R372 IonicContact OE2-NE 3.03Å; E361-R372 PolarHBondContact OE2-NE 2.82Å; E361-R372 IonicContact OE2-NH2 3.44Å; E361-R372 PolarHBondContact OE2-NH2 2.87Å; M362-R372 CarbonylContact O-C 3.56Å; M362-R372 WeakPolarHBondContact O-CA 3.38Å; F363-R372 HydrophobicContact CD1-CB 4.4Å; F363-R372 HydrophobicContact CD1-CG 4.45Å; F363-R372 HydrophobicContact CE1-CB 4.15Å; F363-R372 HydrophobicContact CE1-CG 3.95Å; F363-R372 HydrophobicContact CE2-CG 4.19Å; F363-R372 HydrophobicContact CZ-CG 3.8Å; R372-L379 HydrophobicContact CB-CB 4.47Å; R372-L379 HydrophobicContact CB-CD1 4.22Å; R372-L379 HydrophobicContact CG-CD1 3.63Å; R372-L379 HydrophobicContact CG-CG 4.44Å; R372-L379 WeakPolarHBondContact O-CB 3.46Å; R372-L379 PolarHBondContact O-N 2.87Å; R372-F382 HydrophobicContact CB-CD1 3.84Å; R372-F382 HydrophobicContact CB-CD2 3.77Å; R372-F382 HydrophobicContact CB-CE1 3.55Å; R372-F382 HydrophobicContact CB-CE2 3.5Å; R372-F382 HydrophobicContact CB-CG 3.94Å; R372-F382 HydrophobicContact CB-CZ 3.37Å; R372-F382 HydrophobicContact CG-CE2 4.29Å; R372-F382 HydrophobicContact CG-CZ 4.15Å
373	M	84.5	Confident	81.2	Confident	7 Å²	7	46.9 Å²	46.9	3%	0.034	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	138.4	-172.2	-58.6	-63.4	-65.1	0	0	110	I347 M362 V364 W371 S377 V378 F534 M535	I347-M373 HydrophobicContact CD1-CE 4.04Å; I347-M373 HydrophobicContact CD1-SD 3.47Å; I347-M373 WeakPolarHBondContact CD1-SD 3.27Å; M362-M373 HydrophobicContact CB-CB 4.03Å; M362-M373 HydrophobicContact CG-CB 4.16Å; M362-M373 HydrophobicContact CG-CG 4.4Å; M362-M373 PolarHBondContact N-O 2.85Å; M362-M373 PolarHBondContact O-N 2.68Å; M362-M373 HydrophobicContact SD-CB 4.3Å; M362-M373 HydrophobicContact SD-CG 4.46Å; V364-M373 HydrophobicContact CG2-CG 3.95Å; W371-M373 HydrophobicContact CB-SD 4.28Å; M373-S377 WeakPolarHBondContact CA-O 3.39Å; M373-S377 VanDerWaalsContact CE-C 3.43Å; M373-V378 HydrophobicContact CE-CG2 3.98Å; M373-V378 VanDerWaalsContact SD-CA 3.58Å; M373-V378 HydrophobicContact SD-CB 4.03Å; M373-V378 HydrophobicContact SD-CG2 3.48Å; M373-V378 WeakPolarHBondContact SD-CG2 3.42Å; M373-F534 WeakPolarHBondContact CE-O 3.39Å; M373-M535 HydrophobicContact CE-CB 4.49Å; M373-M535 HydrophobicContact CE-CE 4.21Å; M373-M535 HydrophobicContact CE-SD 4Å; M373-M535 HydrophobicContact CG-CE 4.15Å; M373-M535 HydrophobicContact CG-SD 4.41Å; M373-M535 HydrophobicContact SD-SD 4.29Å
374	R	78.8	Confident	80.3	Confident	123 Å²	123	48.6 Å²	48.6	46%	0.464	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	135.1	170.7	-166.8	-176.8	-70.5	-175.3	-3.8	109.1	E361 N376 S377 L379	E361-R374 IonicContact OE1-CZ 3.45Å; E361-R374 IonicContact OE1-NE 2.59Å; E361-R374 IonicContact OE1-NH2 2.74Å; E361-R374 PolarHBondContact OE1-NH2 2.93Å; R374-N376 VanDerWaalsContact C-N 3.27Å; R374-N376 PolarHBondContact O-N 2.78Å; R374-S377 PolarHBondContact N-O 3.16Å; R374-S377 PolarHBondContact O-N 2.89Å; R374-S377 VanDerWaalsContact O-O 3.09Å; R374-S377 PolarHBondContact O-OG 3.48Å; R374-L379 HydrophobicContact CB-CD1 4.47Å; R374-L379 HydrophobicContact CB-CD2 3.68Å; R374-L379 HydrophobicContact CB-CG 4.08Å
375	D	77.8	Confident	79.7	Confident	147 Å²	147	51.6 Å²	51.6	79%	0.786	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	46.5	179.6	-51.3	-40.7	0	0	0	112.9	S377	D375-S377 PolarHBondContact O-N 2.92Å; D375-S377 VanDerWaalsContact O-N 3.08Å
376	N	79.3	Confident	79.1	Confident	84 Å²	84	51.7 Å²	51.7	45%	0.449	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	17.8	-176.9	-60	-16.4	0	0	0	115.5	R374 D533 F534 M535 G536	R374-N376 VanDerWaalsContact C-N 3.27Å; R374-N376 PolarHBondContact O-N 2.78Å; N376-D533 PolarHBondContact ND2-O 3.26Å; N376-D533 PolarHBondContact OD1-O 3Å; N376-F534 WeakPolarHBondContact CA-O 3.25Å; N376-M535 CarbonylContact O-C 3.58Å; N376-G536 PolarHBondContact O-N 2.98Å
377	S	76.7	Confident	78.5	Confident	62 Å²	62	53.5 Å²	53.5	43%	0.434	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.9	179.3	74.2	0	0	0	0	111.5	M373 R374 D375 L379	M373-S377 WeakPolarHBondContact CA-O 3.39Å; M373-S377 VanDerWaalsContact CE-C 3.43Å; R374-S377 PolarHBondContact N-O 3.16Å; R374-S377 PolarHBondContact O-N 2.89Å; R374-S377 VanDerWaalsContact O-O 3.09Å; R374-S377 PolarHBondContact O-OG 3.48Å; D375-S377 PolarHBondContact O-N 2.92Å; D375-S377 VanDerWaalsContact O-N 3.08Å; S377-L379 PolarHBondContact O-N 2.61Å
378	V	78.3	Confident	77.7	Confident	48 Å²	48	54.7 Å²	54.7	29%	0.291	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	125.2	173.3	-179	0	0	0	0	108.5	I347 M373 F382	I347-V378 HydrophobicContact CD1-CG2 3.41Å; I347-V378 VanDerWaalsContact CD1-CG2 3.41Å; I347-V378 HydrophobicContact CG2-CG2 4.25Å; M373-V378 HydrophobicContact CE-CG2 3.98Å; M373-V378 VanDerWaalsContact SD-CA 3.58Å; M373-V378 HydrophobicContact SD-CB 4.03Å; M373-V378 HydrophobicContact SD-CG2 3.48Å; M373-V378 WeakPolarHBondContact SD-CG2 3.42Å; V378-F382 HydrophobicContact CG1-CB 3.86Å
379	L	71.6	Confident	77	Confident	31 Å²	31	54.7 Å²	54.7	16%	0.162	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-62.9	140.2	174.2	-73.4	-174.8	0	0	0	110.6	R372 R374 S377 G381 F382	R372-L379 HydrophobicContact CB-CB 4.47Å; R372-L379 HydrophobicContact CB-CD1 4.22Å; R372-L379 HydrophobicContact CG-CD1 3.63Å; R372-L379 HydrophobicContact CG-CG 4.44Å; R372-L379 WeakPolarHBondContact O-CB 3.46Å; R372-L379 PolarHBondContact O-N 2.87Å; R374-L379 HydrophobicContact CB-CD1 4.47Å; R374-L379 HydrophobicContact CB-CD2 3.68Å; R374-L379 HydrophobicContact CB-CG 4.08Å; S377-L379 PolarHBondContact O-N 2.61Å; L379-G381 PolarHBondContact O-N 2.7Å; L379-F382 HydrophobicContact CB-CD2 4.05Å; L379-F382 HydrophobicContact CB-CE2 4.41Å; L379-F382 PolarHBondContact O-N 3.15Å
380	P	52.9	Low	77	Confident	100 Å²	100	53.3 Å²	53.3	65%	0.649	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	135.7	178.1	-24.3	33.5	0	0	0	112
381	G	55.1	Low	76.7	Confident	59 Å²	59	61.3 Å²	61.3	61%	0.608	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.6	-4.7	-176.9	0	0	0	0	0	114.4	L379 M384	L379-G381 PolarHBondContact O-N 2.7Å; G381-M384 WeakPolarHBondContact O-CG 3.4Å
382	F	70.8	Confident	76.3	Confident	28 Å²	28	64 Å²	64	12%	0.123	36%	0.364	C	S	.	.			trans	-107.2	149.9	174.1	-69.2	-94.2	0	0	0	111.3	V370 R372 V378 L379 M384 F389	V370-F382 WeakPolarHBondContact O-CD1 3.31Å; R372-F382 HydrophobicContact CB-CD1 3.84Å; R372-F382 HydrophobicContact CB-CD2 3.77Å; R372-F382 HydrophobicContact CB-CE1 3.55Å; R372-F382 HydrophobicContact CB-CE2 3.5Å; R372-F382 HydrophobicContact CB-CG 3.94Å; R372-F382 HydrophobicContact CB-CZ 3.37Å; R372-F382 HydrophobicContact CG-CE2 4.29Å; R372-F382 HydrophobicContact CG-CZ 4.15Å; V378-F382 HydrophobicContact CG1-CB 3.86Å; L379-F382 HydrophobicContact CB-CD2 4.05Å; L379-F382 HydrophobicContact CB-CE2 4.41Å; L379-F382 PolarHBondContact O-N 3.15Å; F382-M384 HydrophobicContact CD1-CB 4.49Å; F382-M384 HydrophobicContact CD1-CE 4.15Å; F382-M384 HydrophobicContact CD1-CG 4.47Å; F382-M384 HydrophobicContact CD2-CE 4.09Å; F382-M384 HydrophobicContact CE1-CE 3.8Å; F382-M384 HydrophobicContact CE2-CE 3.69Å; F382-M384 HydrophobicContact CG-CE 4.32Å; F382-M384 HydrophobicContact CZ-CE 3.56Å; F382-F389 AromaticContact CE1-CE2 3.52Å; F382-F389 HydrophobicContact CE1-CE2 3.52Å; F382-F389 AromaticContact CE1-CZ 3.68Å; F382-F389 HydrophobicContact CE1-CZ 3.68Å; F382-F389 HydrophobicContact CZ-CE1 4.48Å; F382-F389 AromaticContact CZ-CE2 3.84Å; F382-F389 HydrophobicContact CZ-CE2 3.84Å; F382-F389 AromaticContact CZ-CZ 3.46Å; F382-F389 HydrophobicContact CZ-CZ 3.46Å; F382-F389 VanDerWaalsContact CZ-CZ 3.46Å
383	P	76.7	Confident	76.4	Confident	31 Å²	31	61.1 Å²	61.1	20%	0.201	35%	0.354	C	S	.	.	S	Bend	cis	-77.3	149.7	6.5	28.4	-30.8	0	0	0	114.6	I344 W369 V370 W371	I344-P383 HydrophobicContact CG2-CG 3.38Å; W369-P383 HydrophobicContact CB-CB 4.11Å; W369-P383 HydrophobicContact CD2-CB 4.38Å; W369-P383 HydrophobicContact CE3-CB 3.84Å; W369-P383 HydrophobicContact CE3-CG 4.11Å; V370-P383 CarbonylContact O-C 3.44Å; V370-P383 WeakPolarHBondContact O-CA 3.32Å; V370-P383 WeakPolarHBondContact O-CB 3.22Å; W371-P383 HydrophobicContact CD2-CB 3.84Å; W371-P383 VanDerWaalsContact CE2-CB 3.42Å; W371-P383 HydrophobicContact CG-CB 4.07Å; W371-P383 HydrophobicContact CH2-CB 4.37Å; W371-P383 HydrophobicContact CZ2-CB 3.73Å; W371-P383 HydrophobicContact CZ2-CG 3.81Å
384	M	74.4	Confident	76.7	Confident	52 Å²	52	62.6 Å²	62.6	26%	0.256	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	162.6	171.7	-72.8	-165.6	-112.7	0	0	111	W369 V370 G381 F382 V388 F389	W369-M384 CarbonylContact C-O 3.54Å; W369-M384 WeakPolarHBondContact CA-O 3.32Å; V370-M384 PolarHBondContact N-O 2.76Å; V370-M384 PolarHBondContact O-N 2.91Å; G381-M384 WeakPolarHBondContact O-CG 3.4Å; F382-M384 HydrophobicContact CD1-CB 4.49Å; F382-M384 HydrophobicContact CD1-CE 4.15Å; F382-M384 HydrophobicContact CD1-CG 4.47Å; F382-M384 HydrophobicContact CD2-CE 4.09Å; F382-M384 HydrophobicContact CE1-CE 3.8Å; F382-M384 HydrophobicContact CE2-CE 3.69Å; F382-M384 HydrophobicContact CG-CE 4.32Å; F382-M384 HydrophobicContact CZ-CE 3.56Å; M384-V388 HydrophobicContact SD-CG1 4.16Å; M384-F389 HydrophobicContact CB-CD2 4.43Å; M384-F389 HydrophobicContact CB-CE2 3.86Å; M384-F389 HydrophobicContact CE-CE1 4.46Å; M384-F389 HydrophobicContact CE-CE2 3.49Å; M384-F389 VanDerWaalsContact CE-CE2 3.49Å; M384-F389 HydrophobicContact CE-CZ 3.26Å; M384-F389 HydrophobicContact CG-CE2 4.2Å; M384-F389 HydrophobicContact SD-CE2 3.56Å; M384-F389 VanDerWaalsContact SD-CE2 3.56Å; M384-F389 HydrophobicContact SD-CZ 3.81Å
385	L	80	Confident	76.9	Confident	63 Å²	63	60.7 Å²	60.7	33%	0.33	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	138.7	171.7	-60.2	178.7	0	0	0	110.9	H368 W369 S387 V388	H368-L385 HydrophobicContact CB-CD2 4.37Å; H368-L385 WeakPolarHBondContact CD2-CD2 3.48Å; H368-L385 CarbonylContact O-C 3.5Å; H368-L385 VanDerWaalsContact O-CA 3.25Å; H368-L385 WeakPolarHBondContact O-CA 3.3Å; W369-L385 HydrophobicContact CD2-CD2 4.2Å; W369-L385 HydrophobicContact CE3-CD2 4.03Å; W369-L385 HydrophobicContact CH2-CD2 3.92Å; W369-L385 HydrophobicContact CZ2-CD2 4.06Å; W369-L385 HydrophobicContact CZ3-CD2 3.91Å; W369-L385 HydrophobicContact CZ3-CG 4.33Å; L385-S387 PolarHBondContact O-N 2.64Å; L385-S387 VanDerWaalsContact O-N 3.14Å; L385-V388 HydrophobicContact CB-CG2 4.1Å; L385-V388 WeakPolarHBondContact O-CB 3.19Å; L385-V388 PolarHBondContact O-N 3.24Å
386	I	82.1	Confident	77.6	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.015	35%	0.35	C	S	.	.	H	α-helix	trans	-50	-40.6	173.8	-71.1	172.1	0	0	0	111	F365 D367 H368 V370 V388 F389 W390 L393	F365-I386 HydrophobicContact CD1-CD1 4.15Å; F365-I386 HydrophobicContact CD1-CG1 4.2Å; D367-I386 WeakPolarHBondContact O-CD1 3.36Å; H368-I386 PolarHBondContact O-N 2.87Å; V370-I386 HydrophobicContact CG2-CB 4.1Å; V370-I386 HydrophobicContact CG2-CD1 4.29Å; V370-I386 HydrophobicContact CG2-CG1 3.19Å; I386-V388 VanDerWaalsContact C-N 3.26Å; I386-V388 PolarHBondContact O-N 2.82Å; I386-F389 PolarHBondContact O-N 3.27Å; I386-W390 HydrophobicContact CG2-CE3 4.33Å; I386-W390 PolarHBondContact O-N 2.92Å; I386-L393 HydrophobicContact CG2-CB 4.18Å; I386-L393 HydrophobicContact CG2-CD2 3.62Å; I386-L393 HydrophobicContact CG2-CG 4.09Å
387	S	78.4	Confident	78.3	Confident	64 Å²	64	53.7 Å²	53.7	45%	0.448	33%	0.329	S	S	.	.	H	α-helix	trans	-67.8	-18.4	-176.9	56.5	0	0	0	0	114.9	L385	L385-S387 PolarHBondContact O-N 2.64Å; L385-S387 VanDerWaalsContact O-N 3.14Å
388	V	72.2	Confident	79.1	Confident	89 Å²	89	52.7 Å²	52.7	54%	0.539	32%	0.319	S	S	.	.	H	α-helix	trans	-69.2	-40.2	175.1	172.1	0	0	0	0	110.3	M384 L385 I386	M384-V388 HydrophobicContact SD-CG1 4.16Å; L385-V388 HydrophobicContact CB-CG2 4.1Å; L385-V388 WeakPolarHBondContact O-CB 3.19Å; L385-V388 PolarHBondContact O-N 3.24Å; I386-V388 VanDerWaalsContact C-N 3.26Å; I386-V388 PolarHBondContact O-N 2.82Å
389	F	73.1	Confident	79.9	Confident	45 Å²	45	50.4 Å²	50.4	20%	0.197	31%	0.305	C	S	.	.	H	α-helix	trans	-87	-45.1	179.3	-73.5	-76.9	0	0	0	112.9	F382 M384 I386 T422	F382-F389 AromaticContact CE1-CE2 3.52Å; F382-F389 HydrophobicContact CE1-CE2 3.52Å; F382-F389 AromaticContact CE1-CZ 3.68Å; F382-F389 HydrophobicContact CE1-CZ 3.68Å; F382-F389 HydrophobicContact CZ-CE1 4.48Å; F382-F389 AromaticContact CZ-CE2 3.84Å; F382-F389 HydrophobicContact CZ-CE2 3.84Å; F382-F389 AromaticContact CZ-CZ 3.46Å; F382-F389 HydrophobicContact CZ-CZ 3.46Å; F382-F389 VanDerWaalsContact CZ-CZ 3.46Å; M384-F389 HydrophobicContact CB-CD2 4.43Å; M384-F389 HydrophobicContact CB-CE2 3.86Å; M384-F389 HydrophobicContact CE-CE1 4.46Å; M384-F389 HydrophobicContact CE-CE2 3.49Å; M384-F389 VanDerWaalsContact CE-CE2 3.49Å; M384-F389 HydrophobicContact CE-CZ 3.26Å; M384-F389 HydrophobicContact CG-CE2 4.2Å; M384-F389 HydrophobicContact SD-CE2 3.56Å; M384-F389 VanDerWaalsContact SD-CE2 3.56Å; M384-F389 HydrophobicContact SD-CZ 3.81Å; I386-F389 PolarHBondContact O-N 3.27Å; F389-T422 HydrophobicContact CD1-CG2 4.39Å; F389-T422 VanDerWaalsContact O-CB 3.24Å; F389-T422 WeakPolarHBondContact O-CB 3.47Å; F389-T422 WeakPolarHBondContact O-CG2 3.18Å
390	W	86.4	Confident	81.1	Confident	4 Å²	4	49 Å²	49	2%	0.015	30%	0.298	C	S	.	.	S	Bend	trans	-122.5	82.6	-172.3	-61.2	-67.3	0	0	0	110	L358 F363 F365 V370 I386 G392 L393 F408 F410 Y419 D421	L358-W390 HydrophobicContact CD1-CH2 4.45Å; L358-W390 HydrophobicContact CD1-CZ2 4.4Å; F363-W390 HydrophobicContact CD1-CH2 4.14Å; F363-W390 HydrophobicContact CE1-CH2 4.18Å; F365-W390 HydrophobicContact CE1-CE3 4.42Å; F365-W390 HydrophobicContact CE1-CH2 4.22Å; F365-W390 AromaticContact CE1-CZ3 3.66Å; F365-W390 HydrophobicContact CE1-CZ3 3.66Å; F365-W390 HydrophobicContact CZ-CH2 4.06Å; F365-W390 AromaticContact CZ-CZ3 3.99Å; F365-W390 HydrophobicContact CZ-CZ3 3.99Å; V370-W390 HydrophobicContact CG1-CZ3 4.46Å; V370-W390 HydrophobicContact CG2-CZ3 4.3Å; I386-W390 HydrophobicContact CG2-CE3 4.33Å; I386-W390 PolarHBondContact O-N 2.92Å; W390-G392 PolarHBondContact O-N 3.25Å; W390-L393 HydrophobicContact CB-CB 3.89Å; W390-L393 HydrophobicContact CB-CD2 3.85Å; W390-L393 HydrophobicContact CE3-CD2 4.47Å; W390-L393 HydrophobicContact CG-CD2 4.31Å; W390-L393 WeakPolarHBondContact O-CB 3.42Å; W390-L393 PolarHBondContact O-N 3.07Å; W390-L393 VanDerWaalsContact O-N 3.15Å; W390-F408 HydrophobicContact CZ2-CD2 4.04Å; W390-F408 HydrophobicContact CZ2-CE2 4.27Å; W390-F408 AromaticContact NE1-CD2 3.79Å; W390-F410 HydrophobicContact CD2-CE1 4.34Å; W390-F410 HydrophobicContact CD2-CE2 4.12Å; W390-F410 AromaticContact CD2-CZ 3.58Å; W390-F410 HydrophobicContact CD2-CZ 3.58Å; W390-F410 AromaticContact CE2-CE2 3.97Å; W390-F410 AromaticContact CE2-CZ 3.47Å; W390-F410 VanDerWaalsContact CE2-CZ 3.47Å; W390-F410 HydrophobicContact CE3-CE1 4.3Å; W390-F410 AromaticContact CE3-CZ 3.95Å; W390-F410 HydrophobicContact CE3-CZ 3.95Å; W390-F410 HydrophobicContact CG-CE2 4.15Å; W390-F410 HydrophobicContact CG-CZ 4.08Å; W390-F410 HydrophobicContact CH2-CZ 4.08Å; W390-F410 AromaticContact CZ2-CZ 3.74Å; W390-F410 HydrophobicContact CZ2-CZ 3.74Å; W390-F410 HydrophobicContact CZ3-CE1 4.43Å; W390-F410 HydrophobicContact CZ3-CZ 4.19Å; W390-F410 AromaticContact NE1-CE2 3.9Å; W390-F410 AromaticContact NE1-CZ 3.89Å; W390-Y419 HydrophobicContact CB-CD1 4.32Å; W390-Y419 HydrophobicContact CB-CE1 3.84Å; W390-Y419 HydrophobicContact CB-CE2 4.2Å; W390-Y419 AromaticContact CD1-CD1 3.45Å; W390-Y419 VanDerWaalsContact CD1-CD1 3.45Å; W390-Y419 AromaticContact CD1-CE1 3.88Å; W390-Y419 AromaticContact CD1-CG 3.56Å; W390-Y419 HydrophobicContact CG-CD1 4.26Å; W390-Y419 HydrophobicContact CG-CE1 4.28Å; W390-Y419 HydrophobicContact CG-CG 4.41Å; W390-D421 PolarHBondContact NE1-O 2.84Å
391	K	83.5	Confident	83.1	Confident	168 Å²	168	44.6 Å²	44.6	73%	0.73	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	130.8	176.4	-66.8	-175.5	-179.6	-177.8	0	109.9	Y419	K391-Y419 PolarHBondContact O-OH 3.35Å
392	G	82.8	Confident	84.9	Confident	62 Å²	62	43.4 Å²	43.4	64%	0.639	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.2	-4.2	-178.8	0	0	0	0	0	115.6	W390 W417	W390-G392 PolarHBondContact O-N 3.25Å; G392-W417 PolarHBondContact O-NE1 2.95Å
393	L	89.9	Confident	86	Confident	13 Å²	13	42.7 Å²	42.7	7%	0.068	24%	0.244	C	C	.	.			trans	-81.5	140.6	174	-169.7	66	0	0	0	110.5	I386 W390 I397 F410 W417 Y419	I386-L393 HydrophobicContact CG2-CB 4.18Å; I386-L393 HydrophobicContact CG2-CD2 3.62Å; I386-L393 HydrophobicContact CG2-CG 4.09Å; W390-L393 HydrophobicContact CB-CB 3.89Å; W390-L393 HydrophobicContact CB-CD2 3.85Å; W390-L393 HydrophobicContact CE3-CD2 4.47Å; W390-L393 HydrophobicContact CG-CD2 4.31Å; W390-L393 WeakPolarHBondContact O-CB 3.42Å; W390-L393 PolarHBondContact O-N 3.07Å; W390-L393 VanDerWaalsContact O-N 3.15Å; L393-I397 HydrophobicContact CD1-CG2 4.22Å; L393-I397 HydrophobicContact CD2-CG2 3.96Å; L393-I397 HydrophobicContact CG-CG2 4.01Å; L393-F410 HydrophobicContact CD1-CB 3.6Å; L393-F410 HydrophobicContact CD1-CD1 4.39Å; L393-F410 HydrophobicContact CD1-CD2 4.41Å; L393-F410 HydrophobicContact CD1-CG 3.91Å; L393-F410 HydrophobicContact CD2-CB 4.28Å; L393-F410 HydrophobicContact CD2-CD1 3.52Å; L393-F410 HydrophobicContact CD2-CD2 4.11Å; L393-F410 HydrophobicContact CD2-CE1 3.74Å; L393-F410 HydrophobicContact CD2-CE2 4.3Å; L393-F410 HydrophobicContact CD2-CG 3.71Å; L393-F410 HydrophobicContact CD2-CZ 4.14Å; L393-W417 HydrophobicContact CD1-CB 4.06Å; L393-W417 HydrophobicContact CD1-CD2 3.71Å; L393-W417 HydrophobicContact CD1-CE3 3.9Å; L393-W417 HydrophobicContact CD1-CG 3.78Å; L393-Y419 HydrophobicContact CB-CE2 4.36Å; L393-Y419 HydrophobicContact CD1-CE2 4.24Å; L393-Y419 PolarHBondContact N-OH 3.46Å
394	P	90.9	Very high	86.6	Confident	38 Å²	38	43.9 Å²	43.9	25%	0.247	25%	0.253	C	S	.	.			trans	-60.1	151.5	177.1	-24.2	34.6	0	0	0	112.6	K396 K412 W417	P394-K396 PolarHBondContact O-N 3.14Å; P394-K412 HydrophobicContact CB-CG 4.13Å; P394-K412 HydrophobicContact CG-CB 4.17Å; P394-K412 HydrophobicContact CG-CG 4.07Å; P394-W417 VanDerWaalsContact CD-CZ2 3.47Å; P394-W417 HydrophobicContact CG-CH2 3.44Å; P394-W417 VanDerWaalsContact CG-CH2 3.44Å; P394-W417 HydrophobicContact CG-CZ2 3.51Å; P394-W417 HydrophobicContact CG-CZ3 4.14Å
395	S	82.8	Confident	87.3	Confident	83 Å²	83	46 Å²	46	58%	0.58	26%	0.262	S	S	*	.	S	Bend	trans	-67.8	1.2	-179.3	62.8	0	0	0	0	114.8	D367 H368	D367-S395 CarbonylContact C-O 3.58Å; H368-S395 WeakPolarHBondContact CA-O 3.39Å; H368-S395 WeakPolarHBondContact CB-O 3.38Å; H368-S395 PolarHBondContact N-O 2.92Å
396	K	91	Very high	87.7	Confident	84 Å²	84	43.4 Å²	43.4	37%	0.365	25%	0.251	S	S	.	.	S	Bend	trans	-155.2	118.3	174.8	177.5	169.6	-177.7	148.7	0	108.1	N353 D367 P394 K412	N353-K396 WeakPolarHBondContact ND2-CE 3.49Å; N353-K396 PolarHBondContact ND2-NZ 3.07Å; D367-K396 IonicContact OD1-NZ 2.81Å; D367-K396 PolarHBondContact OD1-NZ 2.86Å; D367-K396 VanDerWaalsContact OD1-NZ 3.17Å; P394-K396 PolarHBondContact O-N 3.14Å; K396-K412 WeakPolarHBondContact O-CD 3.35Å; K396-K412 WeakPolarHBondContact O-CE 3.44Å; K396-K412 PolarHBondContact O-NZ 3Å
397	I	94.8	Very high	88.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.259	C	S	.	.			trans	-102.4	158.7	-179.8	61.9	168.5	0	0	0	111.4	N353 T354 F365 L393 V400 F410	N353-I397 WeakPolarHBondContact CB-O 3.38Å; T354-I397 HydrophobicContact CG2-CD1 3.75Å; T354-I397 HydrophobicContact CG2-CG1 3.97Å; F365-I397 HydrophobicContact CB-CD1 4.16Å; F365-I397 HydrophobicContact CB-CG1 4.14Å; F365-I397 HydrophobicContact CD1-CD1 3.42Å; F365-I397 VanDerWaalsContact CD1-CD1 3.42Å; F365-I397 HydrophobicContact CD1-CG1 4.03Å; F365-I397 HydrophobicContact CD2-CD1 4.03Å; F365-I397 HydrophobicContact CE1-CD1 3.7Å; F365-I397 HydrophobicContact CE2-CD1 4.28Å; F365-I397 HydrophobicContact CG-CD1 3.61Å; F365-I397 HydrophobicContact CG-CG1 4.13Å; F365-I397 HydrophobicContact CZ-CD1 4.13Å; L393-I397 HydrophobicContact CD1-CG2 4.22Å; L393-I397 HydrophobicContact CD2-CG2 3.96Å; L393-I397 HydrophobicContact CG-CG2 4.01Å; I397-V400 HydrophobicContact CD1-CB 4.14Å; I397-V400 HydrophobicContact CD1-CG1 4.06Å; I397-F410 HydrophobicContact CD1-CD1 3.68Å; I397-F410 HydrophobicContact CD1-CE1 4Å; I397-F410 HydrophobicContact CG2-CD1 4.32Å
398	D	94.1	Very high	89	Confident	42 Å²	42	42.8 Å²	42.8	23%	0.225	24%	0.24	C	C	.	.	S	Bend	trans	-100	-41.2	179.5	-56.6	-24.9	0	0	0	111.3	F411 K412 G413 I444	D398-F411 PolarHBondContact N-O 3.33Å; D398-K412 WeakPolarHBondContact OD1-CD 3.29Å; D398-K412 IonicContact OD1-NZ 3.15Å; D398-K412 PolarHBondContact OD1-NZ 3.46Å; D398-K412 WeakPolarHBondContact OD2-CD 3.29Å; D398-G413 PolarHBondContact OD2-N 3.37Å; D398-I444 VanDerWaalsContact CB-O 3.31Å; D398-I444 WeakPolarHBondContact CB-O 3.41Å
399	A	95.3	Very high	90.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	156.3	176.8	0	0	0	0	0	111.6	F411 I444 A447	A399-F411 HydrophobicContact CB-CB 4.35Å; A399-F411 HydrophobicContact CB-CD2 4.24Å; A399-F411 PolarHBondContact N-O 2.9Å; A399-F411 PolarHBondContact O-N 2.94Å; A399-I444 HydrophobicContact CB-CG2 4.05Å; A399-A447 HydrophobicContact CB-CB 4.41Å
400	V	96.1	Very high	91.2	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	145	172.7	59.3	0	0	0	0	110.5	T354 A356 L358 F365 I397 V409 F410	T354-V400 HydrophobicContact CG2-CG1 3.97Å; A356-V400 HydrophobicContact CB-CG1 3.71Å; A356-V400 WeakPolarHBondContact CB-O 3.48Å; L358-V400 HydrophobicContact CD1-CG2 4.23Å; L358-V400 HydrophobicContact CD2-CG2 4.17Å; F365-V400 HydrophobicContact CD2-CG1 4.17Å; F365-V400 HydrophobicContact CE2-CG1 3.62Å; F365-V400 HydrophobicContact CZ-CG1 4.11Å; I397-V400 HydrophobicContact CD1-CB 4.14Å; I397-V400 HydrophobicContact CD1-CG1 4.06Å; V400-V409 VanDerWaalsContact CA-O 3.29Å; V400-V409 WeakPolarHBondContact CA-O 3.47Å; V400-F410 HydrophobicContact CB-CD1 3.69Å; V400-F410 HydrophobicContact CB-CE1 3.91Å; V400-F410 HydrophobicContact CB-CG 4.39Å; V400-F410 HydrophobicContact CG1-CE1 4.48Å; V400-F410 HydrophobicContact CG2-CD1 3.46Å; V400-F410 VanDerWaalsContact CG2-CD1 3.46Å; V400-F410 HydrophobicContact CG2-CD2 4.32Å; V400-F410 HydrophobicContact CG2-CE1 3.37Å; V400-F410 HydrophobicContact CG2-CE2 4.25Å; V400-F410 HydrophobicContact CG2-CG 3.96Å; V400-F410 HydrophobicContact CG2-CZ 3.78Å
401	Y	95.3	Very high	91.6	Very high	6 Å²	6	36.3 Å²	36.3	2%	0.024	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	161.4	169.9	78.3	-76	0	0	0	111.7	N403 F408 V409 F411 A447 W449 T456 F458 E469	Y401-N403 HydrophobicContact CD2-CB 4.47Å; Y401-N403 HydrophobicContact CE2-CB 3.7Å; Y401-F408 WeakPolarHBondContact O-CA 3.5Å; Y401-V409 HydrophobicContact CD1-CB 3.87Å; Y401-V409 HydrophobicContact CD1-CG1 4.46Å; Y401-V409 HydrophobicContact CE1-CB 3.46Å; Y401-V409 VanDerWaalsContact CE1-CB 3.46Å; Y401-V409 HydrophobicContact CE1-CG1 3.78Å; Y401-V409 HydrophobicContact CE1-CG2 3.92Å; Y401-V409 PolarHBondContact N-O 3.09Å; Y401-V409 VanDerWaalsContact N-O 3.15Å; Y401-V409 PolarHBondContact O-N 2.94Å; Y401-F411 AromaticContact CD1-CE2 3.89Å; Y401-F411 HydrophobicContact CD1-CE2 3.89Å; Y401-F411 AromaticContact CE1-CE2 3.7Å; Y401-F411 HydrophobicContact CE1-CE2 3.7Å; Y401-F411 HydrophobicContact CE1-CZ 4.09Å; Y401-A447 HydrophobicContact CD1-CB 3.52Å; Y401-A447 HydrophobicContact CE1-CB 4.3Å; Y401-A447 HydrophobicContact CG-CB 3.98Å; Y401-W449 HydrophobicContact CD2-CB 3.85Å; Y401-W449 HydrophobicContact CE2-CB 4.3Å; Y401-T456 HydrophobicContact CD2-CG2 3.94Å; Y401-T456 HydrophobicContact CE1-CG2 4.15Å; Y401-T456 HydrophobicContact CE2-CG2 3.51Å; Y401-T456 HydrophobicContact CG-CG2 4.44Å; Y401-F458 HydrophobicContact CD1-CE1 4.27Å; Y401-F458 AromaticContact CE1-CE1 3.72Å; Y401-F458 HydrophobicContact CE1-CE1 3.72Å; Y401-F458 HydrophobicContact CE1-CZ 4.01Å; Y401-E469 WeakPolarHBondContact CE2-OE1 3.39Å; Y401-E469 PolarHBondContact OH-OE1 3.1Å
402	E	93.2	Very high	92.1	Very high	34 Å²	34	31 Å²	31	16%	0.159	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	124.7	168.1	-176.9	172.6	-172.4	0	0	108.9	L358 R359 G406 K407 F408 W449	L358-E402 HydrophobicContact CD2-CB 4.08Å; R359-E402 IonicContact CZ-OE1 3.86Å; R359-E402 PolarHBondContact N-OE2 3.32Å; R359-E402 IonicContact NE-OE1 3.16Å; R359-E402 IonicContact NH1-OE1 2.77Å; R359-E402 PolarHBondContact NH1-OE1 2.97Å; E402-G406 WeakPolarHBondContact OE1-CA 3.41Å; E402-K407 WeakPolarHBondContact CA-O 3.36Å; E402-F408 HydrophobicContact CB-CD1 4.23Å; E402-F408 HydrophobicContact CG-CD1 4.2Å; E402-F408 HydrophobicContact CG-CE1 4.22Å; E402-W449 WeakPolarHBondContact O-CB 3.42Å; E402-W449 VanDerWaalsContact O-CE3 3.28Å
403	N	92.2	Very high	92.6	Very high	14 Å²	14	29.2 Å²	29.2	8%	0.075	16%	0.163	C	C	.	.			trans	-85.3	179.2	179.8	78.2	-7.3	0	0	0	112.4	Y401 E405 G406 K407 V409	Y401-N403 HydrophobicContact CD2-CB 4.47Å; Y401-N403 HydrophobicContact CE2-CB 3.7Å; N403-E405 PolarHBondContact O-N 3.38Å; N403-E405 VanDerWaalsContact O-N 3.11Å; N403-E405 PolarHBondContact OD1-N 2.83Å; N403-E405 VanDerWaalsContact OD1-N 3.07Å; N403-G406 PolarHBondContact O-N 3.19Å; N403-G406 PolarHBondContact OD1-N 3.25Å; N403-K407 PolarHBondContact N-O 3.36Å; N403-K407 WeakPolarHBondContact OD1-CA 3.4Å; N403-K407 WeakPolarHBondContact OD1-CB 3.26Å; N403-K407 PolarHBondContact OD1-N 3.01Å; N403-K407 PolarHBondContact OD1-O 3.3Å; N403-V409 HydrophobicContact CB-CG2 4.25Å
404	S	90.3	Very high	92.7	Very high	56 Å²	56	34.4 Å²	34.4	39%	0.392	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.1	-179	61.4	0	0	0	0	115.1	G406 W449	S404-G406 VanDerWaalsContact C-N 3.34Å; S404-W449 VanDerWaalsContact CA-CZ2 3.46Å
405	E	89.7	Confident	92.8	Very high	96 Å²	96	36.9 Å²	36.9	45%	0.449	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	1.3	175.8	-61.5	177.4	-171.9	0	0	112.3	N403 K407 R472	N403-E405 PolarHBondContact O-N 3.38Å; N403-E405 VanDerWaalsContact O-N 3.11Å; N403-E405 PolarHBondContact OD1-N 2.83Å; N403-E405 VanDerWaalsContact OD1-N 3.07Å; E405-K407 VanDerWaalsContact C-N 3.29Å; E405-K407 HydrophobicContact CB-CG 4.2Å; E405-K407 PolarHBondContact O-N 3.35Å; E405-K407 WeakPolarHBondContact OE2-CE 3.39Å; E405-K407 IonicContact OE2-NZ 2.8Å; E405-K407 PolarHBondContact OE2-NZ 3.11Å; E405-R472 IonicContact OE1-CZ 3.03Å; E405-R472 IonicContact OE1-NH2 2.81Å; E405-R472 PolarHBondContact OE1-NH2 2.92Å
406	G	86.9	Confident	93.4	Very high	9 Å²	9	33.2 Å²	33.2	9%	0.093	17%	0.167	C	C	.	.	S	Bend	trans	70.7	23.3	-174.7	0	0	0	0	0	113.6	R359 E402 N403 S404	R359-G406 PolarHBondContact NH1-O 3.37Å; R359-G406 PolarHBondContact NH2-O 3.02Å; R359-G406 VanDerWaalsContact NH2-O 3.14Å; E402-G406 WeakPolarHBondContact OE1-CA 3.41Å; N403-G406 PolarHBondContact O-N 3.19Å; N403-G406 PolarHBondContact OD1-N 3.25Å; S404-G406 VanDerWaalsContact C-N 3.34Å
407	K	93.3	Very high	93.7	Very high	43 Å²	43	29.6 Å²	29.6	19%	0.187	15%	0.151	C	C	.	.			trans	-94	145.7	173.7	-58.7	-173.8	-173.2	-175.1	0	110	E402 N403 E405 V418 Y419 E425	E402-K407 WeakPolarHBondContact CA-O 3.36Å; N403-K407 PolarHBondContact N-O 3.36Å; N403-K407 WeakPolarHBondContact OD1-CA 3.4Å; N403-K407 WeakPolarHBondContact OD1-CB 3.26Å; N403-K407 PolarHBondContact OD1-N 3.01Å; N403-K407 PolarHBondContact OD1-O 3.3Å; E405-K407 VanDerWaalsContact C-N 3.29Å; E405-K407 HydrophobicContact CB-CG 4.2Å; E405-K407 PolarHBondContact O-N 3.35Å; E405-K407 WeakPolarHBondContact OE2-CE 3.39Å; E405-K407 IonicContact OE2-NZ 2.8Å; E405-K407 PolarHBondContact OE2-NZ 3.11Å; K407-V418 HydrophobicContact CB-CG1 3.84Å; K407-V418 HydrophobicContact CD-CG1 3.73Å; K407-V418 HydrophobicContact CG-CG1 4.41Å; K407-Y419 CarbonylContact C-O 3.48Å; K407-Y419 WeakPolarHBondContact CA-O 3.31Å; K407-Y419 WeakPolarHBondContact CB-O 3.1Å; K407-E425 HydrophobicContact CD-CG 4.45Å; K407-E425 IonicContact NZ-OE2 2.69Å; K407-E425 PolarHBondContact NZ-OE2 2.83Å
408	F	94.6	Very high	93.8	Very high	10 Å²	10	30 Å²	30	4%	0.044	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	122.3	177.2	-49.6	-27.9	0	0	0	109.5	L358 R359 W390 Y401 E402 F410 V418 Y419 D421	L358-F408 HydrophobicContact CB-CD1 4.34Å; L358-F408 HydrophobicContact CB-CE1 4.02Å; L358-F408 HydrophobicContact CB-CZ 4.26Å; L358-F408 HydrophobicContact CD1-CD2 4.44Å; L358-F408 HydrophobicContact CD1-CG 4.36Å; L358-F408 HydrophobicContact CD2-CD1 4.05Å; L358-F408 HydrophobicContact CD2-CG 4.47Å; R359-F408 HydrophobicContact CG-CE1 3.91Å; R359-F408 HydrophobicContact CG-CZ 3.63Å; W390-F408 HydrophobicContact CZ2-CD2 4.04Å; W390-F408 HydrophobicContact CZ2-CE2 4.27Å; W390-F408 AromaticContact NE1-CD2 3.79Å; Y401-F408 WeakPolarHBondContact O-CA 3.5Å; E402-F408 HydrophobicContact CB-CD1 4.23Å; E402-F408 HydrophobicContact CG-CD1 4.2Å; E402-F408 HydrophobicContact CG-CE1 4.22Å; F408-F410 HydrophobicContact CB-CD2 4.3Å; F408-F410 HydrophobicContact CB-CE2 3.6Å; F408-F410 HydrophobicContact CB-CZ 4.17Å; F408-V418 WeakPolarHBondContact O-CA 3.43Å; F408-Y419 PolarHBondContact N-O 3.49Å; F408-Y419 PolarHBondContact O-N 2.84Å; F408-D421 VanDerWaalsContact CD2-O 3.31Å; F408-D421 WeakPolarHBondContact CD2-O 3.34Å; F408-D421 WeakPolarHBondContact CE2-O 3.48Å
409	V	95.6	Very high	93.6	Very high	2 Å²	2	28 Å²	28	1%	0.012	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	113.7	179.9	-173.5	0	0	0	0	108.3	V400 Y401 N403 F411 F416 W417 V418 F435	V400-V409 VanDerWaalsContact CA-O 3.29Å; V400-V409 WeakPolarHBondContact CA-O 3.47Å; Y401-V409 HydrophobicContact CD1-CB 3.87Å; Y401-V409 HydrophobicContact CD1-CG1 4.46Å; Y401-V409 HydrophobicContact CE1-CB 3.46Å; Y401-V409 VanDerWaalsContact CE1-CB 3.46Å; Y401-V409 HydrophobicContact CE1-CG1 3.78Å; Y401-V409 HydrophobicContact CE1-CG2 3.92Å; Y401-V409 PolarHBondContact N-O 3.09Å; Y401-V409 VanDerWaalsContact N-O 3.15Å; Y401-V409 PolarHBondContact O-N 2.94Å; N403-V409 HydrophobicContact CB-CG2 4.25Å; V409-F411 HydrophobicContact CB-CE2 4.38Å; V409-F411 HydrophobicContact CG1-CD2 4.5Å; V409-F411 HydrophobicContact CG1-CE1 4.42Å; V409-F411 HydrophobicContact CG1-CE2 3.66Å; V409-F411 HydrophobicContact CG1-CZ 3.61Å; V409-F416 HydrophobicContact CG1-CD2 4.15Å; V409-W417 CarbonylContact C-O 3.54Å; V409-W417 WeakPolarHBondContact CA-O 3.36Å; V409-V418 HydrophobicContact CG1-CG2 4.34Å; V409-V418 HydrophobicContact CG2-CG2 4.27Å; V409-F435 HydrophobicContact CG1-CE2 4.06Å
410	F	96.3	Very high	93.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	140.4	179.8	-64.8	-92.9	0	0	0	110.7	F365 W390 L393 I397 V400 F408 F416 W417 Y419	F365-F410 HydrophobicContact CE1-CE1 4.05Å; F365-F410 HydrophobicContact CZ-CE1 4.03Å; W390-F410 HydrophobicContact CD2-CE1 4.34Å; W390-F410 HydrophobicContact CD2-CE2 4.12Å; W390-F410 AromaticContact CD2-CZ 3.58Å; W390-F410 HydrophobicContact CD2-CZ 3.58Å; W390-F410 AromaticContact CE2-CE2 3.97Å; W390-F410 AromaticContact CE2-CZ 3.47Å; W390-F410 VanDerWaalsContact CE2-CZ 3.47Å; W390-F410 HydrophobicContact CE3-CE1 4.3Å; W390-F410 AromaticContact CE3-CZ 3.95Å; W390-F410 HydrophobicContact CE3-CZ 3.95Å; W390-F410 HydrophobicContact CG-CE2 4.15Å; W390-F410 HydrophobicContact CG-CZ 4.08Å; W390-F410 HydrophobicContact CH2-CZ 4.08Å; W390-F410 AromaticContact CZ2-CZ 3.74Å; W390-F410 HydrophobicContact CZ2-CZ 3.74Å; W390-F410 HydrophobicContact CZ3-CE1 4.43Å; W390-F410 HydrophobicContact CZ3-CZ 4.19Å; W390-F410 AromaticContact NE1-CE2 3.9Å; W390-F410 AromaticContact NE1-CZ 3.89Å; L393-F410 HydrophobicContact CD1-CB 3.6Å; L393-F410 HydrophobicContact CD1-CD1 4.39Å; L393-F410 HydrophobicContact CD1-CD2 4.41Å; L393-F410 HydrophobicContact CD1-CG 3.91Å; L393-F410 HydrophobicContact CD2-CB 4.28Å; L393-F410 HydrophobicContact CD2-CD1 3.52Å; L393-F410 HydrophobicContact CD2-CD2 4.11Å; L393-F410 HydrophobicContact CD2-CE1 3.74Å; L393-F410 HydrophobicContact CD2-CE2 4.3Å; L393-F410 HydrophobicContact CD2-CG 3.71Å; L393-F410 HydrophobicContact CD2-CZ 4.14Å; I397-F410 HydrophobicContact CD1-CD1 3.68Å; I397-F410 HydrophobicContact CD1-CE1 4Å; I397-F410 HydrophobicContact CG2-CD1 4.32Å; V400-F410 HydrophobicContact CB-CD1 3.69Å; V400-F410 HydrophobicContact CB-CE1 3.91Å; V400-F410 HydrophobicContact CB-CG 4.39Å; V400-F410 HydrophobicContact CG1-CE1 4.48Å; V400-F410 HydrophobicContact CG2-CD1 3.46Å; V400-F410 VanDerWaalsContact CG2-CD1 3.46Å; V400-F410 HydrophobicContact CG2-CD2 4.32Å; V400-F410 HydrophobicContact CG2-CE1 3.37Å; V400-F410 HydrophobicContact CG2-CE2 4.25Å; V400-F410 HydrophobicContact CG2-CG 3.96Å; V400-F410 HydrophobicContact CG2-CZ 3.78Å; F408-F410 HydrophobicContact CB-CD2 4.3Å; F408-F410 HydrophobicContact CB-CE2 3.6Å; F408-F410 HydrophobicContact CB-CZ 4.17Å; F410-F416 CarbonylContact O-C 3.49Å; F410-F416 WeakPolarHBondContact O-CA 3.37Å; F410-F416 WeakPolarHBondContact O-CB 3.22Å; F410-W417 HydrophobicContact CB-CB 4.42Å; F410-W417 PolarHBondContact N-O 3.08Å; F410-W417 PolarHBondContact O-N 3.25Å; F410-Y419 AromaticContact CD2-CD2 3.65Å; F410-Y419 HydrophobicContact CD2-CD2 3.65Å; F410-Y419 HydrophobicContact CD2-CE2 4.17Å; F410-Y419 AromaticContact CE2-CD2 3.79Å; F410-Y419 HydrophobicContact CE2-CD2 3.79Å; F410-Y419 HydrophobicContact CE2-CE2 4.47Å; F410-Y419 HydrophobicContact CE2-CG 4.33Å
411	F	95.4	Very high	92.6	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.9	176.3	-62.5	-88.3	0	0	0	111	D398 A399 Y401 V409 F416 I432 F435 M439 I444 A447 F458	D398-F411 PolarHBondContact N-O 3.33Å; A399-F411 HydrophobicContact CB-CB 4.35Å; A399-F411 HydrophobicContact CB-CD2 4.24Å; A399-F411 PolarHBondContact N-O 2.9Å; A399-F411 PolarHBondContact O-N 2.94Å; Y401-F411 AromaticContact CD1-CE2 3.89Å; Y401-F411 HydrophobicContact CD1-CE2 3.89Å; Y401-F411 AromaticContact CE1-CE2 3.7Å; Y401-F411 HydrophobicContact CE1-CE2 3.7Å; Y401-F411 HydrophobicContact CE1-CZ 4.09Å; V409-F411 HydrophobicContact CB-CE2 4.38Å; V409-F411 HydrophobicContact CG1-CD2 4.5Å; V409-F411 HydrophobicContact CG1-CE1 4.42Å; V409-F411 HydrophobicContact CG1-CE2 3.66Å; V409-F411 HydrophobicContact CG1-CZ 3.61Å; F411-F416 HydrophobicContact CD1-CB 3.66Å; F411-F416 HydrophobicContact CE1-CB 3.77Å; F411-F416 HydrophobicContact CE1-CG 4.34Å; F411-F416 HydrophobicContact CG-CB 4.43Å; F411-I432 HydrophobicContact CD1-CD1 4.2Å; F411-I432 HydrophobicContact CE1-CD1 4.37Å; F411-F435 HydrophobicContact CE1-CD2 4.35Å; F411-F435 HydrophobicContact CE1-CE2 4.49Å; F411-F435 HydrophobicContact CZ-CD2 4.45Å; F411-F435 HydrophobicContact CZ-CE2 4.14Å; F411-M439 HydrophobicContact CE1-CE 3.95Å; F411-M439 HydrophobicContact CZ-CE 4.3Å; F411-I444 HydrophobicContact CB-CB 4.27Å; F411-I444 HydrophobicContact CD1-CB 4.33Å; F411-I444 HydrophobicContact CD1-CG1 3.97Å; F411-I444 HydrophobicContact CE1-CG1 4.27Å; F411-I444 HydrophobicContact CG-CB 4.14Å; F411-I444 HydrophobicContact CG-CG1 4.28Å; F411-A447 HydrophobicContact CE2-CB 4.32Å; F411-F458 AromaticContact CE2-CE1 3.82Å; F411-F458 HydrophobicContact CE2-CE1 3.82Å; F411-F458 HydrophobicContact CZ-CD1 4.47Å; F411-F458 AromaticContact CZ-CE1 3.65Å; F411-F458 HydrophobicContact CZ-CE1 3.65Å; F411-F458 HydrophobicContact CZ-CZ 4.15Å
412	K	94.6	Very high	91.8	Very high	56 Å²	56	40.6 Å²	40.6	24%	0.243	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	114.2	168.6	-179.4	51	167.7	-164.9	0	110.6	P394 K396 D398 K414 Q415 W417	P394-K412 HydrophobicContact CB-CG 4.13Å; P394-K412 HydrophobicContact CG-CB 4.17Å; P394-K412 HydrophobicContact CG-CG 4.07Å; K396-K412 WeakPolarHBondContact O-CD 3.35Å; K396-K412 WeakPolarHBondContact O-CE 3.44Å; K396-K412 PolarHBondContact O-NZ 3Å; D398-K412 WeakPolarHBondContact OD1-CD 3.29Å; D398-K412 IonicContact OD1-NZ 3.15Å; D398-K412 PolarHBondContact OD1-NZ 3.46Å; D398-K412 WeakPolarHBondContact OD2-CD 3.29Å; K412-K414 PolarHBondContact O-N 2.71Å; K412-Q415 PolarHBondContact N-O 3.43Å; K412-Q415 PolarHBondContact O-N 3.29Å; K412-W417 HydrophobicContact CB-CH2 4.04Å; K412-W417 HydrophobicContact CB-CZ3 3.65Å
413	G	91.8	Very high	91.4	Very high	24 Å²	24	46.4 Å²	46.4	25%	0.247	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	-126.7	-175.5	0	0	0	0	0	110.5	D398 Q415 Q442 S443	D398-G413 PolarHBondContact OD2-N 3.37Å; G413-Q415 VanDerWaalsContact C-N 3.29Å; G413-Q415 PolarHBondContact O-N 2.76Å; G413-Q442 CarbonylContact C-O 2.91Å; G413-Q442 VanDerWaalsContact O-O 3.07Å; G413-S443 WeakPolarHBondContact O-CA 3.22Å
414	K	92.4	Very high	91.4	Very high	122 Å²	122	48.3 Å²	48.3	53%	0.53	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-1.8	-180	-61.1	-175.2	178.8	180	0	114.2	K412 D431 I432 Q442	K412-K414 PolarHBondContact O-N 2.71Å; K414-D431 CarbonylContact O-C 3.53Å; K414-D431 WeakPolarHBondContact O-CA 3.19Å; K414-I432 PolarHBondContact O-N 2.88Å; K414-Q442 WeakPolarHBondContact CG-O 3.48Å; K414-Q442 PolarHBondContact N-O 2.81Å
415	Q	94.2	Very high	91.5	Very high	90 Å²	90	47.7 Å²	47.7	42%	0.421	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	151.3	-174.9	-68.7	-178.3	-55	0	0	111.4	K412 G413 W417 P429 R430	K412-Q415 PolarHBondContact N-O 3.43Å; K412-Q415 PolarHBondContact O-N 3.29Å; G413-Q415 VanDerWaalsContact C-N 3.29Å; G413-Q415 PolarHBondContact O-N 2.76Å; Q415-W417 HydrophobicContact CB-CE3 4.49Å; Q415-W417 HydrophobicContact CB-CH2 3.39Å; Q415-W417 HydrophobicContact CB-CZ2 4.21Å; Q415-W417 HydrophobicContact CB-CZ3 3.56Å; Q415-W417 HydrophobicContact CG-CH2 4.42Å; Q415-W417 WeakPolarHBondContact O-CZ3 3.49Å; Q415-P429 HydrophobicContact CB-CB 4.46Å; Q415-R430 CarbonylContact C-O 3.59Å; Q415-R430 VanDerWaalsContact CA-O 3.3Å; Q415-R430 WeakPolarHBondContact CA-O 3.33Å
416	F	95.3	Very high	91.5	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	151.5	170.4	78.6	-80	0	0	0	111.8	V409 F410 F411 V418 Y428 P429 R430 D431 F435	V409-F416 HydrophobicContact CG1-CD2 4.15Å; F410-F416 CarbonylContact O-C 3.49Å; F410-F416 WeakPolarHBondContact O-CA 3.37Å; F410-F416 WeakPolarHBondContact O-CB 3.22Å; F411-F416 HydrophobicContact CD1-CB 3.66Å; F411-F416 HydrophobicContact CE1-CB 3.77Å; F411-F416 HydrophobicContact CE1-CG 4.34Å; F411-F416 HydrophobicContact CG-CB 4.43Å; F416-V418 HydrophobicContact CD2-CG2 4.01Å; F416-V418 HydrophobicContact CE2-CG2 3.88Å; F416-Y428 HydrophobicContact CD2-CD1 4.3Å; F416-Y428 AromaticContact CD2-CE1 3.96Å; F416-Y428 HydrophobicContact CD2-CE1 3.96Å; F416-Y428 HydrophobicContact CE2-CD1 4Å; F416-Y428 AromaticContact CE2-CE1 3.25Å; F416-Y428 HydrophobicContact CE2-CE1 3.25Å; F416-Y428 HydrophobicContact CZ-CD1 4.39Å; F416-Y428 AromaticContact CZ-CE1 3.62Å; F416-Y428 HydrophobicContact CZ-CE1 3.62Å; F416-P429 WeakPolarHBondContact O-CA 3.49Å; F416-R430 HydrophobicContact CD1-CB 4.12Å; F416-R430 VanDerWaalsContact CD1-O 3.29Å; F416-R430 WeakPolarHBondContact CD1-O 3.41Å; F416-R430 HydrophobicContact CE1-CB 3.49Å; F416-R430 VanDerWaalsContact CE1-CB 3.49Å; F416-R430 HydrophobicContact CZ-CB 3.9Å; F416-R430 PolarHBondContact N-O 3.47Å; F416-R430 PolarHBondContact O-N 3.32Å; F416-D431 WeakPolarHBondContact CE1-O 3.48Å; F416-F435 HydrophobicContact CD1-CD2 4.26Å; F416-F435 AromaticContact CD2-CD2 3.75Å; F416-F435 HydrophobicContact CD2-CD2 3.75Å; F416-F435 HydrophobicContact CD2-CE2 4.12Å; F416-F435 HydrophobicContact CE1-CB 3.99Å; F416-F435 HydrophobicContact CE1-CD2 4Å; F416-F435 AromaticContact CE2-CD2 3.44Å; F416-F435 HydrophobicContact CE2-CD2 3.44Å; F416-F435 VanDerWaalsContact CE2-CD2 3.44Å; F416-F435 AromaticContact CE2-CE2 3.9Å; F416-F435 HydrophobicContact CE2-CE2 3.9Å; F416-F435 HydrophobicContact CG-CD2 4.14Å; F416-F435 HydrophobicContact CZ-CB 4.15Å; F416-F435 AromaticContact CZ-CD2 3.59Å; F416-F435 HydrophobicContact CZ-CD2 3.59Å; F416-F435 HydrophobicContact CZ-CE2 4.45Å; F416-F435 HydrophobicContact CZ-CG 4.33Å
417	W	96.2	Very high	91.6	Very high	8 Å²	8	54.2 Å²	54.2	3%	0.03	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	142.9	179.4	-63.4	-112.3	0	0	0	108.9	G392 L393 P394 V409 F410 K412 Q415 Y419 L424 P429	G392-W417 PolarHBondContact O-NE1 2.95Å; L393-W417 HydrophobicContact CD1-CB 4.06Å; L393-W417 HydrophobicContact CD1-CD2 3.71Å; L393-W417 HydrophobicContact CD1-CE3 3.9Å; L393-W417 HydrophobicContact CD1-CG 3.78Å; P394-W417 VanDerWaalsContact CD-CZ2 3.47Å; P394-W417 HydrophobicContact CG-CH2 3.44Å; P394-W417 VanDerWaalsContact CG-CH2 3.44Å; P394-W417 HydrophobicContact CG-CZ2 3.51Å; P394-W417 HydrophobicContact CG-CZ3 4.14Å; V409-W417 CarbonylContact C-O 3.54Å; V409-W417 WeakPolarHBondContact CA-O 3.36Å; F410-W417 HydrophobicContact CB-CB 4.42Å; F410-W417 PolarHBondContact N-O 3.08Å; F410-W417 PolarHBondContact O-N 3.25Å; K412-W417 HydrophobicContact CB-CH2 4.04Å; K412-W417 HydrophobicContact CB-CZ3 3.65Å; Q415-W417 HydrophobicContact CB-CE3 4.49Å; Q415-W417 HydrophobicContact CB-CH2 3.39Å; Q415-W417 HydrophobicContact CB-CZ2 4.21Å; Q415-W417 HydrophobicContact CB-CZ3 3.56Å; Q415-W417 HydrophobicContact CG-CH2 4.42Å; Q415-W417 WeakPolarHBondContact O-CZ3 3.49Å; W417-Y419 HydrophobicContact CB-CD2 4.06Å; W417-Y419 HydrophobicContact CB-CE2 3.59Å; W417-Y419 HydrophobicContact CG-CE2 4.19Å; W417-L424 HydrophobicContact CB-CD1 4.2Å; W417-L424 HydrophobicContact CG-CD1 4.47Å; W417-P429 HydrophobicContact CD2-CB 3.94Å; W417-P429 VanDerWaalsContact CE2-CB 3.49Å; W417-P429 HydrophobicContact CG-CB 4.2Å; W417-P429 HydrophobicContact CH2-CB 4.44Å; W417-P429 HydrophobicContact CZ2-CB 3.77Å; W417-P429 HydrophobicContact CZ2-CG 4.09Å
418	V	96.1	Very high	91.5	Very high	9 Å²	9	55 Å²	55	6%	0.055	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.4	173.4	-176.9	0	0	0	0	108.6	K407 F408 V409 F416 E425 Y428	K407-V418 HydrophobicContact CB-CG1 3.84Å; K407-V418 HydrophobicContact CD-CG1 3.73Å; K407-V418 HydrophobicContact CG-CG1 4.41Å; F408-V418 WeakPolarHBondContact O-CA 3.43Å; V409-V418 HydrophobicContact CG1-CG2 4.34Å; V409-V418 HydrophobicContact CG2-CG2 4.27Å; F416-V418 HydrophobicContact CD2-CG2 4.01Å; F416-V418 HydrophobicContact CE2-CG2 3.88Å; V418-E425 HydrophobicContact CG1-CG 4.16Å; V418-E425 WeakPolarHBondContact O-CB 3.35Å; V418-E425 PolarHBondContact O-N 3.27Å; V418-Y428 HydrophobicContact CB-CD1 4.39Å; V418-Y428 HydrophobicContact CB-CD2 3.93Å; V418-Y428 HydrophobicContact CB-CE1 4.15Å; V418-Y428 HydrophobicContact CB-CE2 3.62Å; V418-Y428 HydrophobicContact CB-CG 4.29Å; V418-Y428 HydrophobicContact CG2-CD1 4.06Å; V418-Y428 HydrophobicContact CG2-CD2 4.37Å; V418-Y428 HydrophobicContact CG2-CE1 3.53Å; V418-Y428 HydrophobicContact CG2-CE2 3.84Å; V418-Y428 HydrophobicContact CG2-CG 4.46Å
419	Y	91.8	Very high	91.5	Very high	1 Å²	1	57.3 Å²	57.3	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	138.6	178.2	-74.9	-97.7	0	0	0	110.4	W390 K391 L393 K407 F408 F410 W417 K423 L424	W390-Y419 HydrophobicContact CB-CD1 4.32Å; W390-Y419 HydrophobicContact CB-CE1 3.84Å; W390-Y419 HydrophobicContact CB-CE2 4.2Å; W390-Y419 AromaticContact CD1-CD1 3.45Å; W390-Y419 VanDerWaalsContact CD1-CD1 3.45Å; W390-Y419 AromaticContact CD1-CE1 3.88Å; W390-Y419 AromaticContact CD1-CG 3.56Å; W390-Y419 HydrophobicContact CG-CD1 4.26Å; W390-Y419 HydrophobicContact CG-CE1 4.28Å; W390-Y419 HydrophobicContact CG-CG 4.41Å; K391-Y419 PolarHBondContact O-OH 3.35Å; L393-Y419 HydrophobicContact CB-CE2 4.36Å; L393-Y419 HydrophobicContact CD1-CE2 4.24Å; L393-Y419 PolarHBondContact N-OH 3.46Å; K407-Y419 CarbonylContact C-O 3.48Å; K407-Y419 WeakPolarHBondContact CA-O 3.31Å; K407-Y419 WeakPolarHBondContact CB-O 3.1Å; F408-Y419 PolarHBondContact N-O 3.49Å; F408-Y419 PolarHBondContact O-N 2.84Å; F410-Y419 AromaticContact CD2-CD2 3.65Å; F410-Y419 HydrophobicContact CD2-CD2 3.65Å; F410-Y419 HydrophobicContact CD2-CE2 4.17Å; F410-Y419 AromaticContact CE2-CD2 3.79Å; F410-Y419 HydrophobicContact CE2-CD2 3.79Å; F410-Y419 HydrophobicContact CE2-CE2 4.47Å; F410-Y419 HydrophobicContact CE2-CG 4.33Å; W417-Y419 HydrophobicContact CB-CD2 4.06Å; W417-Y419 HydrophobicContact CB-CE2 3.59Å; W417-Y419 HydrophobicContact CG-CE2 4.19Å; Y419-K423 CarbonylContact C-O 3.55Å; Y419-K423 VanDerWaalsContact CA-O 3.3Å; Y419-K423 WeakPolarHBondContact CA-O 3.22Å; Y419-K423 VanDerWaalsContact CD1-C 3.41Å; Y419-L424 HydrophobicContact CD1-CB 4.04Å; Y419-L424 HydrophobicContact CD1-CD1 4.48Å; Y419-L424 VanDerWaalsContact CD1-N 3.32Å; Y419-L424 HydrophobicContact CD2-CD1 4.19Å; Y419-L424 HydrophobicContact CE1-CB 3.56Å; Y419-L424 HydrophobicContact CE1-CD1 4.05Å; Y419-L424 HydrophobicContact CE1-CG 4.36Å; Y419-L424 HydrophobicContact CE2-CD1 3.73Å
420	K	88.1	Confident	91.4	Very high	118 Å²	118	60.9 Å²	60.9	51%	0.513	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	104.8	161.1	-172.4	176.8	-179.7	179.6	0	107.5	T422 K423	K420-T422 PolarHBondContact O-N 2.94Å; K420-K423 PolarHBondContact N-O 2.93Å; K420-K423 PolarHBondContact O-N 3.44Å
421	D	80.4	Confident	91.2	Very high	68 Å²	68	63.5 Å²	63.5	36%	0.364	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	-97.5	-170.9	-49	-54.6	0	0	0	111.5	R359 W390 F408	R359-D421 IonicContact CZ-OD1 3.99Å; R359-D421 IonicContact NE-OD1 2.73Å; R359-D421 PolarHBondContact NE-OD1 3.43Å; R359-D421 IonicContact NH2-OD1 3.76Å; R359-D421 PolarHBondContact NH2-OD1 3.13Å; W390-D421 PolarHBondContact NE1-O 2.84Å; F408-D421 VanDerWaalsContact CD2-O 3.31Å; F408-D421 WeakPolarHBondContact CD2-O 3.34Å; F408-D421 WeakPolarHBondContact CE2-O 3.48Å
422	T	79.9	Confident	91	Very high	86 Å²	86	63.4 Å²	63.4	53%	0.528	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-7.6	177.2	55.4	0	0	0	0	113.8	F389 K420	F389-T422 HydrophobicContact CD1-CG2 4.39Å; F389-T422 VanDerWaalsContact O-CB 3.24Å; F389-T422 WeakPolarHBondContact O-CB 3.47Å; F389-T422 WeakPolarHBondContact O-CG2 3.18Å; K420-T422 PolarHBondContact O-N 2.94Å
423	K	83.8	Confident	90.7	Very high	155 Å²	155	64.7 Å²	64.7	67%	0.674	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	124.8	-176.9	-171.7	177.6	178.9	-178.8	0	110.8	Y419 K420 E425	Y419-K423 CarbonylContact C-O 3.55Å; Y419-K423 VanDerWaalsContact CA-O 3.3Å; Y419-K423 WeakPolarHBondContact CA-O 3.22Å; Y419-K423 VanDerWaalsContact CD1-C 3.41Å; K420-K423 PolarHBondContact N-O 2.93Å; K420-K423 PolarHBondContact O-N 3.44Å; K423-E425 PolarHBondContact O-N 2.95Å
424	L	92.4	Very high	90.5	Very high	55 Å²	55	69.4 Å²	69.4	29%	0.288	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	127.4	173.1	-178.2	60.8	0	0	0	109	W417 Y419	W417-L424 HydrophobicContact CB-CD1 4.2Å; W417-L424 HydrophobicContact CG-CD1 4.47Å; Y419-L424 HydrophobicContact CD1-CB 4.04Å; Y419-L424 HydrophobicContact CD1-CD1 4.48Å; Y419-L424 VanDerWaalsContact CD1-N 3.32Å; Y419-L424 HydrophobicContact CD2-CD1 4.19Å; Y419-L424 HydrophobicContact CE1-CB 3.56Å; Y419-L424 HydrophobicContact CE1-CD1 4.05Å; Y419-L424 HydrophobicContact CE1-CG 4.36Å; Y419-L424 HydrophobicContact CE2-CD1 3.73Å
425	E	93.4	Very high	90.3	Very high	42 Å²	42	64.9 Å²	64.9	20%	0.196	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-67.9	148.2	175.4	-71.5	-77.8	95.2	0	0	110.2	K407 V418 K423 Y428	K407-E425 HydrophobicContact CD-CG 4.45Å; K407-E425 IonicContact NZ-OE2 2.69Å; K407-E425 PolarHBondContact NZ-OE2 2.83Å; V418-E425 HydrophobicContact CG1-CG 4.16Å; V418-E425 WeakPolarHBondContact O-CB 3.35Å; V418-E425 PolarHBondContact O-N 3.27Å; K423-E425 PolarHBondContact O-N 2.95Å; E425-Y428 HydrophobicContact CB-CD2 3.66Å; E425-Y428 HydrophobicContact CB-CE2 3.84Å
426	P	88.6	Confident	89.9	Confident	97 Å²	97	61.2 Å²	61.2	63%	0.63	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	150.2	174.4	-21.6	32.7	0	0	0	110.8	Y428	P426-Y428 VanDerWaalsContact C-N 3.32Å; P426-Y428 WeakPolarHBondContact O-CD2 3.41Å; P426-Y428 PolarHBondContact O-N 3.36Å
427	E	89.2	Confident	89.3	Confident	146 Å²	146	69.7 Å²	69.7	68%	0.682	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	6.3	175	-40	174.5	149	0	0	116.4	R430	E427-R430 WeakPolarHBondContact O-CG 3.41Å; E427-R430 PolarHBondContact O-NE 2.89Å; E427-R430 IonicContact OE1-NH2 3.6Å; E427-R430 IonicContact OE2-CZ 3.79Å; E427-R430 IonicContact OE2-NH1 3.28Å; E427-R430 IonicContact OE2-NH2 3.15Å; E427-R430 PolarHBondContact OE2-NH2 2.88Å
428	Y	92.1	Very high	88.6	Confident	60 Å²	60	71.3 Å²	71.3	24%	0.235	37%	0.367	C	S	.	.			trans	-106.4	151.1	172.6	-66.8	-75.4	0	0	0	112.2	F416 V418 E425 P426 R430	F416-Y428 HydrophobicContact CD2-CD1 4.3Å; F416-Y428 AromaticContact CD2-CE1 3.96Å; F416-Y428 HydrophobicContact CD2-CE1 3.96Å; F416-Y428 HydrophobicContact CE2-CD1 4Å; F416-Y428 AromaticContact CE2-CE1 3.25Å; F416-Y428 HydrophobicContact CE2-CE1 3.25Å; F416-Y428 HydrophobicContact CZ-CD1 4.39Å; F416-Y428 AromaticContact CZ-CE1 3.62Å; F416-Y428 HydrophobicContact CZ-CE1 3.62Å; V418-Y428 HydrophobicContact CB-CD1 4.39Å; V418-Y428 HydrophobicContact CB-CD2 3.93Å; V418-Y428 HydrophobicContact CB-CE1 4.15Å; V418-Y428 HydrophobicContact CB-CE2 3.62Å; V418-Y428 HydrophobicContact CB-CG 4.29Å; V418-Y428 HydrophobicContact CG2-CD1 4.06Å; V418-Y428 HydrophobicContact CG2-CD2 4.37Å; V418-Y428 HydrophobicContact CG2-CE1 3.53Å; V418-Y428 HydrophobicContact CG2-CE2 3.84Å; V418-Y428 HydrophobicContact CG2-CG 4.46Å; E425-Y428 HydrophobicContact CB-CD2 3.66Å; E425-Y428 HydrophobicContact CB-CE2 3.84Å; P426-Y428 VanDerWaalsContact C-N 3.32Å; P426-Y428 WeakPolarHBondContact O-CD2 3.41Å; P426-Y428 PolarHBondContact O-N 3.36Å; Y428-R430 HydrophobicContact CD1-CB 4.23Å; Y428-R430 HydrophobicContact CD1-CG 3.94Å; Y428-R430 HydrophobicContact CE1-CB 4.35Å; Y428-R430 HydrophobicContact CE1-CG 4.07Å
429	P	94.3	Very high	88.1	Confident	57 Å²	57	71.8 Å²	71.8	37%	0.37	37%	0.368	S	S	.	.	S	Bend	cis	-73.8	152.6	3.2	27.1	-32.6	0	0	0	115	Q415 F416 W417	Q415-P429 HydrophobicContact CB-CB 4.46Å; F416-P429 WeakPolarHBondContact O-CA 3.49Å; W417-P429 HydrophobicContact CD2-CB 3.94Å; W417-P429 VanDerWaalsContact CE2-CB 3.49Å; W417-P429 HydrophobicContact CG-CB 4.2Å; W417-P429 HydrophobicContact CH2-CB 4.44Å; W417-P429 HydrophobicContact CZ2-CB 3.77Å; W417-P429 HydrophobicContact CZ2-CG 4.09Å
430	R	93.6	Very high	87.6	Confident	78 Å²	78	72.3 Å²	72.3	29%	0.294	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	160.1	173.6	-68.9	-172.8	173.4	-170.4	-11.6	111.7	Q415 F416 E427 Y428	Q415-R430 CarbonylContact C-O 3.59Å; Q415-R430 VanDerWaalsContact CA-O 3.3Å; Q415-R430 WeakPolarHBondContact CA-O 3.33Å; F416-R430 HydrophobicContact CD1-CB 4.12Å; F416-R430 VanDerWaalsContact CD1-O 3.29Å; F416-R430 WeakPolarHBondContact CD1-O 3.41Å; F416-R430 HydrophobicContact CE1-CB 3.49Å; F416-R430 VanDerWaalsContact CE1-CB 3.49Å; F416-R430 HydrophobicContact CZ-CB 3.9Å; F416-R430 PolarHBondContact N-O 3.47Å; F416-R430 PolarHBondContact O-N 3.32Å; E427-R430 WeakPolarHBondContact O-CG 3.41Å; E427-R430 PolarHBondContact O-NE 2.89Å; E427-R430 IonicContact OE1-NH2 3.6Å; E427-R430 IonicContact OE2-CZ 3.79Å; E427-R430 IonicContact OE2-NH1 3.28Å; E427-R430 IonicContact OE2-NH2 3.15Å; E427-R430 PolarHBondContact OE2-NH2 2.88Å; Y428-R430 HydrophobicContact CD1-CB 4.23Å; Y428-R430 HydrophobicContact CD1-CG 3.94Å; Y428-R430 HydrophobicContact CE1-CB 4.35Å; Y428-R430 HydrophobicContact CE1-CG 4.07Å
431	D	92.6	Very high	87.1	Confident	54 Å²	54	70.1 Å²	70.1	29%	0.289	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	138.4	172.1	-164	-60.2	0	0	0	110.3	K414 F416 T433 Q434	K414-D431 CarbonylContact O-C 3.53Å; K414-D431 WeakPolarHBondContact O-CA 3.19Å; F416-D431 WeakPolarHBondContact CE1-O 3.48Å; D431-T433 PolarHBondContact O-N 2.76Å; D431-T433 VanDerWaalsContact O-N 3.14Å; D431-T433 WeakPolarHBondContact OD1-CG2 3.12Å; D431-T433 PolarHBondContact OD1-N 2.89Å; D431-T433 PolarHBondContact OD1-OG1 3.1Å; D431-Q434 HydrophobicContact CB-CG 4.36Å; D431-Q434 WeakPolarHBondContact O-CA 3.49Å; D431-Q434 VanDerWaalsContact O-CB 3.27Å; D431-Q434 WeakPolarHBondContact O-CB 3.42Å; D431-Q434 PolarHBondContact O-N 2.68Å
432	I	91.2	Very high	87.3	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-56.6	-27.5	178.4	-166.1	168	0	0	0	113	F411 K414 Q434 F435 M439 I444	F411-I432 HydrophobicContact CD1-CD1 4.2Å; F411-I432 HydrophobicContact CE1-CD1 4.37Å; K414-I432 PolarHBondContact O-N 2.88Å; I432-Q434 PolarHBondContact O-N 2.89Å; I432-F435 WeakPolarHBondContact O-CB 3.36Å; I432-F435 PolarHBondContact O-N 2.86Å; I432-M439 HydrophobicContact CD1-CE 3.82Å; I432-M439 HydrophobicContact CG1-CB 4.27Å; I432-M439 HydrophobicContact CG1-CE 3.84Å; I432-M439 HydrophobicContact CG1-CG 4.39Å; I432-I444 HydrophobicContact CD1-CD1 3.85Å; I432-I444 HydrophobicContact CD1-CG1 3.42Å; I432-I444 VanDerWaalsContact CD1-CG1 3.42Å
433	T	87.6	Confident	87.8	Confident	82 Å²	82	69.9 Å²	69.9	50%	0.503	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-64.7	-22.1	174.4	63.8	0	0	0	0	112.6	D431	D431-T433 PolarHBondContact O-N 2.76Å; D431-T433 VanDerWaalsContact O-N 3.14Å; D431-T433 WeakPolarHBondContact OD1-CG2 3.12Å; D431-T433 PolarHBondContact OD1-N 2.89Å; D431-T433 PolarHBondContact OD1-OG1 3.1Å
434	Q	87.1	Confident	88.3	Confident	124 Å²	124	62.5 Å²	62.5	58%	0.579	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-85.6	-10	175.4	-54.5	178.1	12.9	0	0	112.6	D431 I432	D431-Q434 HydrophobicContact CB-CG 4.36Å; D431-Q434 WeakPolarHBondContact O-CA 3.49Å; D431-Q434 VanDerWaalsContact O-CB 3.27Å; D431-Q434 WeakPolarHBondContact O-CB 3.42Å; D431-Q434 PolarHBondContact O-N 2.68Å; I432-Q434 PolarHBondContact O-N 2.89Å
435	F	88.1	Confident	88.3	Confident	27 Å²	27	62.9 Å²	62.9	12%	0.118	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-50.7	179.5	-168.8	-81.2	0	0	0	111.2	V409 F411 F416 I432 M439 F458 Y467	V409-F435 HydrophobicContact CG1-CE2 4.06Å; F411-F435 HydrophobicContact CE1-CD2 4.35Å; F411-F435 HydrophobicContact CE1-CE2 4.49Å; F411-F435 HydrophobicContact CZ-CD2 4.45Å; F411-F435 HydrophobicContact CZ-CE2 4.14Å; F416-F435 HydrophobicContact CD1-CD2 4.26Å; F416-F435 AromaticContact CD2-CD2 3.75Å; F416-F435 HydrophobicContact CD2-CD2 3.75Å; F416-F435 HydrophobicContact CD2-CE2 4.12Å; F416-F435 HydrophobicContact CE1-CB 3.99Å; F416-F435 HydrophobicContact CE1-CD2 4Å; F416-F435 AromaticContact CE2-CD2 3.44Å; F416-F435 HydrophobicContact CE2-CD2 3.44Å; F416-F435 VanDerWaalsContact CE2-CD2 3.44Å; F416-F435 AromaticContact CE2-CE2 3.9Å; F416-F435 HydrophobicContact CE2-CE2 3.9Å; F416-F435 HydrophobicContact CG-CD2 4.14Å; F416-F435 HydrophobicContact CZ-CB 4.15Å; F416-F435 AromaticContact CZ-CD2 3.59Å; F416-F435 HydrophobicContact CZ-CD2 3.59Å; F416-F435 HydrophobicContact CZ-CE2 4.45Å; F416-F435 HydrophobicContact CZ-CG 4.33Å; I432-F435 WeakPolarHBondContact O-CB 3.36Å; I432-F435 PolarHBondContact O-N 2.86Å; F435-M439 HydrophobicContact CB-CE 4.49Å; F435-M439 HydrophobicContact CB-CG 4.22Å; F435-M439 HydrophobicContact CD1-CE 3.97Å; F435-M439 HydrophobicContact CD1-CG 4.16Å; F435-M439 HydrophobicContact CE1-CE 4.45Å; F435-M439 HydrophobicContact CG-CE 4.15Å; F435-F458 HydrophobicContact CE1-CE2 4.08Å; F435-F458 AromaticContact CE1-CZ 3.92Å; F435-F458 HydrophobicContact CE1-CZ 3.92Å; F435-F458 HydrophobicContact CZ-CZ 4.01Å; F435-Y467 HydrophobicContact CD1-CE2 4.2Å; F435-Y467 HydrophobicContact CE1-CD1 4.09Å; F435-Y467 HydrophobicContact CE1-CD2 4.06Å; F435-Y467 AromaticContact CE1-CE1 3.85Å; F435-Y467 HydrophobicContact CE1-CE1 3.85Å; F435-Y467 AromaticContact CE1-CE2 3.8Å; F435-Y467 HydrophobicContact CE1-CE2 3.8Å; F435-Y467 HydrophobicContact CE1-CG 4.18Å; F435-Y467 AromaticContact CE1-CZ 3.67Å; F435-Y467 HydrophobicContact CZ-CE1 4.25Å
436	S	86.1	Confident	88.4	Confident	13 Å²	13	60.9 Å²	60.9	9%	0.091	32%	0.324	C	S	.	.			trans	-167	151.1	173.7	-160.7	0	0	0	0	111	G438 M439 T473 M474	S436-G438 PolarHBondContact O-N 3.27Å; S436-M439 PolarHBondContact O-N 3.17Å; S436-T473 WeakPolarHBondContact OG-CA 3.5Å; S436-M474 PolarHBondContact OG-N 3.3Å
437	H	82.6	Confident	88.7	Confident	183 Å²	183	56.4 Å²	56.4	85%	0.847	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	126.3	171.9	-170.1	79	0	0	0	110.1	M474	H437-M474 WeakPolarHBondContact O-CB 3.49Å; H437-M474 WeakPolarHBondContact O-CG 3.43Å
438	G	81	Confident	88.9	Confident	43 Å²	43	49.7 Å²	49.7	44%	0.443	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	97	-1.1	-178.4	0	0	0	0	0	115.9	S436 W465	S436-G438 PolarHBondContact O-N 3.27Å; G438-W465 PolarHBondContact O-NE1 2.93Å
439	M	85.3	Confident	88.9	Confident	18 Å²	18	49.3 Å²	49.3	9%	0.089	26%	0.263	C	S	.	.			trans	-63.1	148.2	168.7	-91.9	-64	-117	0	0	112	F411 I432 F435 S436 S441 I444 F458 M474	F411-M439 HydrophobicContact CE1-CE 3.95Å; F411-M439 HydrophobicContact CZ-CE 4.3Å; I432-M439 HydrophobicContact CD1-CE 3.82Å; I432-M439 HydrophobicContact CG1-CB 4.27Å; I432-M439 HydrophobicContact CG1-CE 3.84Å; I432-M439 HydrophobicContact CG1-CG 4.39Å; F435-M439 HydrophobicContact CB-CE 4.49Å; F435-M439 HydrophobicContact CB-CG 4.22Å; F435-M439 HydrophobicContact CD1-CE 3.97Å; F435-M439 HydrophobicContact CD1-CG 4.16Å; F435-M439 HydrophobicContact CE1-CE 4.45Å; F435-M439 HydrophobicContact CG-CE 4.15Å; S436-M439 PolarHBondContact O-N 3.17Å; M439-S441 PolarHBondContact O-N 2.84Å; M439-I444 HydrophobicContact CE-CD1 3.88Å; M439-I444 HydrophobicContact CE-CG1 4.02Å; M439-I444 HydrophobicContact SD-CD1 4.12Å; M439-F458 HydrophobicContact CE-CD1 4.33Å; M439-F458 HydrophobicContact CE-CD2 3.98Å; M439-F458 HydrophobicContact CE-CE1 4.24Å; M439-F458 HydrophobicContact CE-CE2 3.86Å; M439-F458 HydrophobicContact CE-CG 4.2Å; M439-F458 HydrophobicContact CE-CZ 4Å; M439-F458 HydrophobicContact SD-CD2 3.89Å; M439-F458 HydrophobicContact SD-CE2 4.14Å; M439-F458 HydrophobicContact SD-CG 4.37Å; M439-M474 HydrophobicContact CB-CE 4.45Å; M439-M474 HydrophobicContact CE-CE 4.4Å; M439-M474 HydrophobicContact CG-CE 3.37Å; M439-M474 HydrophobicContact SD-CE 3.14Å; M439-M474 WeakPolarHBondContact SD-CE 3.42Å
440	P	82.4	Confident	88.7	Confident	13 Å²	13	47.9 Å²	47.9	8%	0.084	25%	0.25	C	C	.	.			trans	-67.7	130.9	172.6	28.7	-31.6	0	0	0	110.9	Q442 I444 K460 W465	P440-Q442 VanDerWaalsContact C-N 3.26Å; P440-Q442 PolarHBondContact O-N 3.28Å; P440-Q442 VanDerWaalsContact O-N 3.17Å; P440-I444 HydrophobicContact CG-CD1 3.3Å; P440-K460 HydrophobicContact CB-CD 3.94Å; P440-K460 HydrophobicContact CG-CD 4.32Å; P440-W465 HydrophobicContact CB-CH2 4.1Å; P440-W465 HydrophobicContact CB-CZ2 3.84Å; P440-W465 HydrophobicContact CG-CD2 4.4Å; P440-W465 HydrophobicContact CG-CE3 4.45Å; P440-W465 HydrophobicContact CG-CH2 4.25Å; P440-W465 HydrophobicContact CG-CZ2 4.1Å; P440-W465 HydrophobicContact CG-CZ3 4.42Å
441	S	78.1	Confident	88.3	Confident	72 Å²	72	48.8 Å²	48.8	50%	0.503	26%	0.257	S	S	.	.	S	Bend	trans	-78.9	7.6	-171.3	56.7	0	0	0	0	116.1	M439	M439-S441 PolarHBondContact O-N 2.84Å
442	Q	84	Confident	87.8	Confident	121 Å²	121	51.6 Å²	51.6	57%	0.565	27%	0.272	S	S	*	.	S	Bend	trans	-117.5	-55	-174.1	-64.8	179.6	-21.8	0	0	113.4	G413 K414 P440	G413-Q442 CarbonylContact C-O 2.91Å; G413-Q442 VanDerWaalsContact O-O 3.07Å; K414-Q442 WeakPolarHBondContact CG-O 3.48Å; K414-Q442 PolarHBondContact N-O 2.81Å; P440-Q442 VanDerWaalsContact C-N 3.26Å; P440-Q442 PolarHBondContact O-N 3.28Å; P440-Q442 VanDerWaalsContact O-N 3.17Å
443	S	90.1	Very high	87.5	Confident	27 Å²	27	55 Å²	55	19%	0.189	29%	0.293	C	S	.	.			trans	-171.6	166.7	-176	60.4	0	0	0	0	111.2	G413 K460	G413-S443 WeakPolarHBondContact O-CA 3.22Å; S443-K460 VanDerWaalsContact O-CD 3.3Å; S443-K460 WeakPolarHBondContact O-CD 3.19Å
444	I	93.6	Very high	87.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.279	C	S	.	.			trans	-121.9	132.1	171	-58.9	-62.2	0	0	0	107.9	D398 A399 F411 I432 M439 P440 T446 A447 F458	D398-I444 VanDerWaalsContact CB-O 3.31Å; D398-I444 WeakPolarHBondContact CB-O 3.41Å; A399-I444 HydrophobicContact CB-CG2 4.05Å; F411-I444 HydrophobicContact CB-CB 4.27Å; F411-I444 HydrophobicContact CD1-CB 4.33Å; F411-I444 HydrophobicContact CD1-CG1 3.97Å; F411-I444 HydrophobicContact CE1-CG1 4.27Å; F411-I444 HydrophobicContact CG-CB 4.14Å; F411-I444 HydrophobicContact CG-CG1 4.28Å; I432-I444 HydrophobicContact CD1-CD1 3.85Å; I432-I444 HydrophobicContact CD1-CG1 3.42Å; I432-I444 VanDerWaalsContact CD1-CG1 3.42Å; M439-I444 HydrophobicContact CE-CD1 3.88Å; M439-I444 HydrophobicContact CE-CG1 4.02Å; M439-I444 HydrophobicContact SD-CD1 4.12Å; P440-I444 HydrophobicContact CG-CD1 3.3Å; I444-T446 WeakPolarHBondContact CG2-O 3.14Å; I444-A447 HydrophobicContact CG2-CB 4.5Å; I444-F458 HydrophobicContact CD1-CB 4.1Å; I444-F458 HydrophobicContact CD1-CG 4.45Å; I444-F458 HydrophobicContact CG2-CB 4.28Å; I444-F458 HydrophobicContact CG2-CD1 3.94Å
445	E	92.6	Very high	87.8	Confident	63 Å²	63	48 Å²	48	29%	0.294	26%	0.258	S	S	.	.	S	Bend	trans	-97.1	-27	-177.8	-63.6	174.4	159.6	0	0	112	F459 K460 G461 S491	E445-F459 PolarHBondContact N-O 3.22Å; E445-F459 VanDerWaalsContact N-O 3.08Å; E445-K460 HydrophobicContact CG-CG 4.34Å; E445-G461 PolarHBondContact OE2-N 3.11Å; E445-S491 WeakPolarHBondContact OE2-CA 3.45Å; E445-S491 WeakPolarHBondContact OE2-CB 3.31Å; E445-S491 PolarHBondContact OE2-OG 2.98Å
446	T	95.4	Very high	88.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	142.1	174.8	-71.2	0	0	0	0	110	I444 F458 F459 P492 Q493 G494 A495	I444-T446 WeakPolarHBondContact CG2-O 3.14Å; T446-F458 CarbonylContact O-C 3.59Å; T446-F458 WeakPolarHBondContact O-CA 3.44Å; T446-F459 HydrophobicContact CG2-CD2 4.01Å; T446-F459 PolarHBondContact N-O 3.24Å; T446-F459 PolarHBondContact O-N 2.87Å; T446-P492 HydrophobicContact CG2-CG 4.28Å; T446-P492 PolarHBondContact OG1-O 3.03Å; T446-Q493 PolarHBondContact OG1-N 3.3Å; T446-G494 PolarHBondContact OG1-N 3.36Å; T446-G494 VanDerWaalsContact OG1-N 3.17Å; T446-A495 HydrophobicContact CG2-CB 3.48Å; T446-A495 VanDerWaalsContact CG2-CB 3.48Å
447	A	95.1	Very high	88.4	Confident	3 Å²	3	47 Å²	47	3%	0.025	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.7	173.5	0	0	0	0	0	108.8	A399 Y401 F411 I444 Y457 F458	A399-A447 HydrophobicContact CB-CB 4.41Å; Y401-A447 HydrophobicContact CD1-CB 3.52Å; Y401-A447 HydrophobicContact CE1-CB 4.3Å; Y401-A447 HydrophobicContact CG-CB 3.98Å; F411-A447 HydrophobicContact CE2-CB 4.32Å; I444-A447 HydrophobicContact CG2-CB 4.5Å; A447-Y457 WeakPolarHBondContact CA-O 3.44Å; A447-F458 HydrophobicContact CB-CD1 3.62Å; A447-F458 HydrophobicContact CB-CE1 3.73Å
448	V	94	Very high	89.1	Confident	5 Å²	5	38.3 Å²	38.3	3%	0.03	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	130.7	175.1	66.1	0	0	0	0	110.2	T456 Y457 F459 A495 V497 T504	V448-T456 WeakPolarHBondContact O-CA 3.41Å; V448-Y457 PolarHBondContact N-O 3.49Å; V448-Y457 PolarHBondContact O-N 3.42Å; V448-F459 HydrophobicContact CG1-CE2 3.97Å; V448-A495 HydrophobicContact CB-CB 4Å; V448-A495 HydrophobicContact CG1-CB 4.35Å; V448-A495 HydrophobicContact CG2-CB 4.34Å; V448-V497 HydrophobicContact CG2-CG2 3.43Å; V448-V497 VanDerWaalsContact CG2-CG2 3.43Å; V448-T504 HydrophobicContact CG2-CG2 4.5Å
449	W	92.8	Very high	89.7	Confident	53 Å²	53	36.2 Å²	36.2	20%	0.201	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	126.8	174.6	175.3	52.2	0	0	0	110.1	Y401 E402 S404 E451 V497	Y401-W449 HydrophobicContact CD2-CB 3.85Å; Y401-W449 HydrophobicContact CE2-CB 4.3Å; E402-W449 WeakPolarHBondContact O-CB 3.42Å; E402-W449 VanDerWaalsContact O-CE3 3.28Å; S404-W449 VanDerWaalsContact CA-CZ2 3.46Å; W449-E451 HydrophobicContact CH2-CB 3.93Å; W449-E451 HydrophobicContact CH2-CG 3.59Å; W449-E451 HydrophobicContact CZ2-CB 3.9Å; W449-E451 HydrophobicContact CZ2-CG 3.73Å; W449-E451 HydrophobicContact CZ3-CB 4.28Å; W449-E451 HydrophobicContact CZ3-CG 4.28Å; W449-V497 WeakPolarHBondContact O-CG2 3.38Å
450	W	90	Very high	90.1	Very high	27 Å²	27	37.2 Å²	37.2	10%	0.102	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	99	172.2	-76.8	15.1	0	0	0	108.7	D452 V453 A454 K455 Y457 W485 T504 F515 N517 L520	W450-D452 VanDerWaalsContact C-N 3.35Å; W450-D452 PolarHBondContact O-N 2.81Å; W450-V453 HydrophobicContact CB-CG2 3.58Å; W450-V453 HydrophobicContact CE3-CG2 3.95Å; W450-V453 HydrophobicContact CG-CG2 4.49Å; W450-V453 PolarHBondContact O-N 3.02Å; W450-A454 PolarHBondContact O-N 2.62Å; W450-K455 PolarHBondContact N-O 3.34Å; W450-K455 PolarHBondContact O-N 2.79Å; W450-Y457 HydrophobicContact CB-CD2 4.38Å; W450-Y457 HydrophobicContact CB-CE2 3.96Å; W450-Y457 HydrophobicContact CD2-CD2 4.05Å; W450-Y457 AromaticContact CD2-CE2 3.55Å; W450-Y457 HydrophobicContact CD2-CE2 3.55Å; W450-Y457 AromaticContact CE3-CE2 3.67Å; W450-Y457 HydrophobicContact CE3-CE2 3.67Å; W450-Y457 AromaticContact CG-CD2 3.91Å; W450-Y457 HydrophobicContact CG-CD2 3.91Å; W450-Y457 AromaticContact CG-CE2 3.66Å; W450-Y457 HydrophobicContact CG-CE2 3.66Å; W450-Y457 HydrophobicContact CZ3-CE2 4.45Å; W450-W485 AromaticContact CE2-CH2 3.84Å; W450-W485 AromaticContact CH2-CH2 3.79Å; W450-W485 HydrophobicContact CH2-CH2 3.79Å; W450-W485 AromaticContact CH2-CZ3 3.78Å; W450-W485 HydrophobicContact CH2-CZ3 3.78Å; W450-W485 AromaticContact CZ2-CH2 3.43Å; W450-W485 HydrophobicContact CZ2-CH2 3.43Å; W450-W485 VanDerWaalsContact CZ2-CH2 3.43Å; W450-W485 AromaticContact CZ2-CZ3 3.33Å; W450-W485 HydrophobicContact CZ2-CZ3 3.33Å; W450-T504 WeakPolarHBondContact CZ2-OG1 3.28Å; W450-T504 PolarHBondContact NE1-OG1 3.24Å; W450-F515 HydrophobicContact CH2-CE1 4.19Å; W450-F515 HydrophobicContact CZ2-CD1 4.49Å; W450-F515 HydrophobicContact CZ2-CE1 4.36Å; W450-N517 HydrophobicContact CH2-CB 4.02Å; W450-N517 HydrophobicContact CZ2-CB 4.32Å; W450-N517 VanDerWaalsContact CZ2-OD1 3.27Å; W450-N517 WeakPolarHBondContact CZ2-OD1 3.12Å; W450-L520 HydrophobicContact CH2-CD2 4.38Å
451	E	85.2	Confident	90.5	Very high	96 Å²	96	37.8 Å²	37.8	45%	0.449	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-58	-44.3	-177.2	-173	-177.4	167.3	0	0	112.2	W449 V453 A454 K499	W449-E451 HydrophobicContact CH2-CB 3.93Å; W449-E451 HydrophobicContact CH2-CG 3.59Å; W449-E451 HydrophobicContact CZ2-CB 3.9Å; W449-E451 HydrophobicContact CZ2-CG 3.73Å; W449-E451 HydrophobicContact CZ3-CB 4.28Å; W449-E451 HydrophobicContact CZ3-CG 4.28Å; E451-V453 PolarHBondContact O-N 2.96Å; E451-V453 VanDerWaalsContact O-N 3.08Å; E451-A454 PolarHBondContact O-N 2.83Å; E451-K499 IonicContact OE1-NZ 3.26Å; E451-K499 PolarHBondContact OE1-NZ 3Å; E451-K499 WeakPolarHBondContact OE2-CD 3.26Å; E451-K499 WeakPolarHBondContact OE2-CE 3.43Å; E451-K499 IonicContact OE2-NZ 3.25Å; E451-K499 PolarHBondContact OE2-NZ 2.71Å
452	D	81.5	Confident	91.1	Very high	113 Å²	113	39 Å²	39	60%	0.604	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-62.4	-22.6	-175.1	-59.4	-29.6	0	0	0	114	W450 K499	W450-D452 VanDerWaalsContact C-N 3.35Å; W450-D452 PolarHBondContact O-N 2.81Å; D452-K499 VanDerWaalsContact OD1-CE 3.25Å; D452-K499 WeakPolarHBondContact OD1-CE 3.35Å
453	V	85.3	Confident	91.6	Very high	72 Å²	72	38.5 Å²	38.5	44%	0.436	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-114	2.5	176.6	-63.6	0	0	0	0	112.8	W450 E451 K455	W450-V453 HydrophobicContact CB-CG2 3.58Å; W450-V453 HydrophobicContact CE3-CG2 3.95Å; W450-V453 HydrophobicContact CG-CG2 4.49Å; W450-V453 PolarHBondContact O-N 3.02Å; E451-V453 PolarHBondContact O-N 2.96Å; E451-V453 VanDerWaalsContact O-N 3.08Å; V453-K455 HydrophobicContact CB-CG 4.4Å; V453-K455 HydrophobicContact CG2-CB 3.97Å; V453-K455 HydrophobicContact CG2-CG 4.05Å; V453-K455 WeakPolarHBondContact O-CG 3.47Å; V453-K455 PolarHBondContact O-N 2.91Å
454	A	88.4	Confident	91.8	Very high	24 Å²	24	37.7 Å²	37.7	20%	0.198	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	37.3	-175.2	0	0	0	0	0	113.9	W450 E451 E470	W450-A454 PolarHBondContact O-N 2.62Å; E451-A454 PolarHBondContact O-N 2.83Å; A454-E470 HydrophobicContact CB-CG 4.5Å
455	K	91.4	Very high	91.8	Very high	34 Å²	34	38.7 Å²	38.7	15%	0.148	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	142.2	179.6	-59.6	-57.8	177.2	161	0	111.7	W450 V453 Y457 R466 Y467 N468 D475	W450-K455 PolarHBondContact N-O 3.34Å; W450-K455 PolarHBondContact O-N 2.79Å; V453-K455 HydrophobicContact CB-CG 4.4Å; V453-K455 HydrophobicContact CG2-CB 3.97Å; V453-K455 HydrophobicContact CG2-CG 4.05Å; V453-K455 WeakPolarHBondContact O-CG 3.47Å; V453-K455 PolarHBondContact O-N 2.91Å; K455-Y457 HydrophobicContact CB-CE2 3.94Å; K455-R466 HydrophobicContact CB-CG 3.95Å; K455-R466 HydrophobicContact CD-CG 4.32Å; K455-R466 HydrophobicContact CG-CG 4.12Å; K455-Y467 WeakPolarHBondContact CA-O 3.45Å; K455-N468 HydrophobicContact CD-CB 4.35Å; K455-N468 VanDerWaalsContact NZ-CG 3.32Å; K455-N468 PolarHBondContact NZ-ND2 3.25Å; K455-D475 IonicContact NZ-OD1 3.35Å; K455-D475 PolarHBondContact NZ-OD1 3.45Å; K455-D475 IonicContact NZ-OD2 3.89Å; K455-D475 PolarHBondContact NZ-OD2 3.37Å
456	T	94.9	Very high	91.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	133.7	170.2	-61.2	0	0	0	0	109.6	Y401 V448 F458 R466 Y467 E469	Y401-T456 HydrophobicContact CD2-CG2 3.94Å; Y401-T456 HydrophobicContact CE1-CG2 4.15Å; Y401-T456 HydrophobicContact CE2-CG2 3.51Å; Y401-T456 HydrophobicContact CG-CG2 4.44Å; V448-T456 WeakPolarHBondContact O-CA 3.41Å; T456-F458 HydrophobicContact CG2-CD1 4.39Å; T456-F458 HydrophobicContact CG2-CE1 3.8Å; T456-F458 HydrophobicContact CG2-CE2 4Å; T456-F458 HydrophobicContact CG2-CZ 3.58Å; T456-R466 WeakPolarHBondContact O-CA 3.37Å; T456-Y467 PolarHBondContact N-O 3.01Å; T456-Y467 PolarHBondContact O-N 3.28Å; T456-E469 WeakPolarHBondContact CB-OE1 3.48Å; T456-E469 WeakPolarHBondContact OG1-CG 3.37Å; T456-E469 PolarHBondContact OG1-OE1 2.86Å
457	Y	93.8	Very high	91.8	Very high	20 Å²	20	39.9 Å²	39.9	8%	0.078	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	125.9	179.1	-63.7	-88.4	0	0	0	109.9	A447 V448 W450 K455 Y464 W465 R466 W485	A447-Y457 WeakPolarHBondContact CA-O 3.44Å; V448-Y457 PolarHBondContact N-O 3.49Å; V448-Y457 PolarHBondContact O-N 3.42Å; W450-Y457 HydrophobicContact CB-CD2 4.38Å; W450-Y457 HydrophobicContact CB-CE2 3.96Å; W450-Y457 HydrophobicContact CD2-CD2 4.05Å; W450-Y457 AromaticContact CD2-CE2 3.55Å; W450-Y457 HydrophobicContact CD2-CE2 3.55Å; W450-Y457 AromaticContact CE3-CE2 3.67Å; W450-Y457 HydrophobicContact CE3-CE2 3.67Å; W450-Y457 AromaticContact CG-CD2 3.91Å; W450-Y457 HydrophobicContact CG-CD2 3.91Å; W450-Y457 AromaticContact CG-CE2 3.66Å; W450-Y457 HydrophobicContact CG-CE2 3.66Å; W450-Y457 HydrophobicContact CZ3-CE2 4.45Å; K455-Y457 HydrophobicContact CB-CE2 3.94Å; Y457-Y464 AromaticContact CD1-CD2 3.88Å; Y457-Y464 HydrophobicContact CD1-CD2 3.88Å; Y457-Y464 AromaticContact CD1-CE2 3.86Å; Y457-Y464 HydrophobicContact CD1-CE2 3.86Å; Y457-Y464 HydrophobicContact CE1-CE2 4.05Å; Y457-W465 WeakPolarHBondContact CA-O 3.42Å; Y457-R466 HydrophobicContact CD1-CB 4.13Å; Y457-R466 HydrophobicContact CD1-CG 3.93Å; Y457-R466 HydrophobicContact CE1-CB 4.05Å; Y457-R466 HydrophobicContact CE1-CG 3.54Å; Y457-R466 WeakPolarHBondContact OH-CD 3.38Å; Y457-W485 HydrophobicContact CD1-CH2 4.26Å; Y457-W485 AromaticContact CD1-CZ2 3.61Å; Y457-W485 HydrophobicContact CD1-CZ2 3.61Å; Y457-W485 HydrophobicContact CD2-CH2 4.28Å; Y457-W485 HydrophobicContact CD2-CZ2 4.43Å; Y457-W485 HydrophobicContact CE1-CH2 4.44Å; Y457-W485 AromaticContact CE1-CZ2 3.88Å; Y457-W485 HydrophobicContact CE1-CZ2 3.88Å; Y457-W485 HydrophobicContact CG-CH2 4.14Å; Y457-W485 AromaticContact CG-CZ2 3.88Å; Y457-W485 HydrophobicContact CG-CZ2 3.88Å
458	F	95.3	Very high	91.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	137.5	175.5	-59	-69.5	0	0	0	110	Y401 F411 F435 M439 I444 T446 A447 T456 Y464 W465 Y467 M474	Y401-F458 HydrophobicContact CD1-CE1 4.27Å; Y401-F458 AromaticContact CE1-CE1 3.72Å; Y401-F458 HydrophobicContact CE1-CE1 3.72Å; Y401-F458 HydrophobicContact CE1-CZ 4.01Å; F411-F458 AromaticContact CE2-CE1 3.82Å; F411-F458 HydrophobicContact CE2-CE1 3.82Å; F411-F458 HydrophobicContact CZ-CD1 4.47Å; F411-F458 AromaticContact CZ-CE1 3.65Å; F411-F458 HydrophobicContact CZ-CE1 3.65Å; F411-F458 HydrophobicContact CZ-CZ 4.15Å; F435-F458 HydrophobicContact CE1-CE2 4.08Å; F435-F458 AromaticContact CE1-CZ 3.92Å; F435-F458 HydrophobicContact CE1-CZ 3.92Å; F435-F458 HydrophobicContact CZ-CZ 4.01Å; M439-F458 HydrophobicContact CE-CD1 4.33Å; M439-F458 HydrophobicContact CE-CD2 3.98Å; M439-F458 HydrophobicContact CE-CE1 4.24Å; M439-F458 HydrophobicContact CE-CE2 3.86Å; M439-F458 HydrophobicContact CE-CG 4.2Å; M439-F458 HydrophobicContact CE-CZ 4Å; M439-F458 HydrophobicContact SD-CD2 3.89Å; M439-F458 HydrophobicContact SD-CE2 4.14Å; M439-F458 HydrophobicContact SD-CG 4.37Å; I444-F458 HydrophobicContact CD1-CB 4.1Å; I444-F458 HydrophobicContact CD1-CG 4.45Å; I444-F458 HydrophobicContact CG2-CB 4.28Å; I444-F458 HydrophobicContact CG2-CD1 3.94Å; T446-F458 CarbonylContact O-C 3.59Å; T446-F458 WeakPolarHBondContact O-CA 3.44Å; A447-F458 HydrophobicContact CB-CD1 3.62Å; A447-F458 HydrophobicContact CB-CE1 3.73Å; T456-F458 HydrophobicContact CG2-CD1 4.39Å; T456-F458 HydrophobicContact CG2-CE1 3.8Å; T456-F458 HydrophobicContact CG2-CE2 4Å; T456-F458 HydrophobicContact CG2-CZ 3.58Å; F458-Y464 CarbonylContact O-C 3.53Å; F458-Y464 WeakPolarHBondContact O-CA 3.13Å; F458-Y464 WeakPolarHBondContact O-CB 3.32Å; F458-W465 HydrophobicContact CB-CB 4.32Å; F458-W465 PolarHBondContact N-O 3.43Å; F458-W465 PolarHBondContact O-N 3.09Å; F458-Y467 HydrophobicContact CE2-CG 4.15Å; F458-M474 HydrophobicContact CD2-CE 3.85Å; F458-M474 HydrophobicContact CE2-CE 3.93Å
459	F	94.4	Very high	91.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	139.4	-178.6	-58.9	-98.2	0	0	0	110.5	E445 T446 V448 Y464 I482 W485 P492 F506	E445-F459 PolarHBondContact N-O 3.22Å; E445-F459 VanDerWaalsContact N-O 3.08Å; T446-F459 HydrophobicContact CG2-CD2 4.01Å; T446-F459 PolarHBondContact N-O 3.24Å; T446-F459 PolarHBondContact O-N 2.87Å; V448-F459 HydrophobicContact CG1-CE2 3.97Å; F459-Y464 HydrophobicContact CE1-CG 4.24Å; F459-I482 HydrophobicContact CD1-CD1 3.73Å; F459-I482 HydrophobicContact CD1-CG1 4.09Å; F459-I482 HydrophobicContact CE1-CD1 4.23Å; F459-I482 HydrophobicContact CE1-CG1 4.23Å; F459-W485 AromaticContact CE1-CD1 3.94Å; F459-W485 HydrophobicContact CE1-CD2 4.06Å; F459-W485 AromaticContact CE1-CE2 3.74Å; F459-W485 HydrophobicContact CE1-CG 4.21Å; F459-W485 HydrophobicContact CE1-CZ2 4.21Å; F459-W485 AromaticContact CE1-NE1 3.63Å; F459-W485 HydrophobicContact CZ-CD2 4.09Å; F459-W485 AromaticContact CZ-CE2 3.64Å; F459-W485 HydrophobicContact CZ-CE3 4.45Å; F459-W485 HydrophobicContact CZ-CH2 4.05Å; F459-W485 AromaticContact CZ-CZ2 3.65Å; F459-W485 HydrophobicContact CZ-CZ2 3.65Å; F459-W485 HydrophobicContact CZ-CZ3 4.42Å; F459-W485 AromaticContact CZ-NE1 3.99Å; F459-P492 HydrophobicContact CB-CG 3.97Å; F459-P492 HydrophobicContact CD1-CG 4.38Å; F459-P492 HydrophobicContact CG-CG 4.09Å; F459-F506 HydrophobicContact CE1-CE1 4.19Å; F459-F506 AromaticContact CE2-CE1 3.94Å; F459-F506 HydrophobicContact CE2-CE1 3.94Å; F459-F506 HydrophobicContact CE2-CZ 4.47Å; F459-F506 AromaticContact CZ-CE1 3.72Å; F459-F506 HydrophobicContact CZ-CE1 3.72Å; F459-F506 AromaticContact CZ-CZ 3.96Å; F459-F506 HydrophobicContact CZ-CZ 3.96Å
460	K	93.1	Very high	91.1	Very high	39 Å²	39	45.5 Å²	45.5	17%	0.17	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	122.4	173.6	-168.9	-161.3	-176.1	-156.4	0	109.5	P440 S443 E445 D462 R463 W465	P440-K460 HydrophobicContact CB-CD 3.94Å; P440-K460 HydrophobicContact CG-CD 4.32Å; S443-K460 VanDerWaalsContact O-CD 3.3Å; S443-K460 WeakPolarHBondContact O-CD 3.19Å; E445-K460 HydrophobicContact CG-CG 4.34Å; K460-D462 PolarHBondContact O-N 2.95Å; K460-R463 PolarHBondContact N-O 2.99Å; K460-R463 PolarHBondContact O-N 2.93Å; K460-R463 VanDerWaalsContact O-N 3.14Å; K460-R463 VanDerWaalsContact O-O 3.09Å; K460-W465 HydrophobicContact CB-CH2 4.14Å; K460-W465 HydrophobicContact CB-CZ3 3.71Å
461	G	91.4	Very high	91.1	Very high	25 Å²	25	51.4 Å²	51.4	26%	0.258	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	-130.8	-178.9	0	0	0	0	0	112	E445 R463 S491	E445-G461 PolarHBondContact OE2-N 3.11Å; G461-R463 VanDerWaalsContact C-N 3.31Å; G461-S491 WeakPolarHBondContact CA-OG 3.42Å; G461-S491 PolarHBondContact N-OG 3.26Å; G461-S491 VanDerWaalsContact N-OG 3.16Å; G461-S491 PolarHBondContact O-N 2.85Å; G461-S491 PolarHBondContact O-OG 2.9Å
462	D	91.6	Very high	91.3	Very high	97 Å²	97	54.2 Å²	54.2	52%	0.519	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	10.6	176.9	68.3	-26.4	0	0	0	113.3	K460 P481 I482	K460-D462 PolarHBondContact O-N 2.95Å; D462-P481 CarbonylContact O-C 3.55Å; D462-P481 WeakPolarHBondContact O-CA 3.17Å; D462-I482 PolarHBondContact O-N 3.27Å
463	R	93.7	Very high	91.7	Very high	111 Å²	111	52 Å²	52	42%	0.419	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	156.1	-172.5	-75.4	177.2	-171	-92.5	-0.4	113	K460 G461 W465 P479 K480	K460-R463 PolarHBondContact N-O 2.99Å; K460-R463 PolarHBondContact O-N 2.93Å; K460-R463 VanDerWaalsContact O-N 3.14Å; K460-R463 VanDerWaalsContact O-O 3.09Å; G461-R463 VanDerWaalsContact C-N 3.31Å; R463-W465 HydrophobicContact CB-CH2 3.81Å; R463-W465 HydrophobicContact CB-CZ3 3.84Å; R463-P479 HydrophobicContact CB-CB 4.07Å; R463-P479 HydrophobicContact CG-CB 4.4Å; R463-K480 CarbonylContact C-O 3.59Å; R463-K480 VanDerWaalsContact CA-O 3.3Å; R463-K480 WeakPolarHBondContact CA-O 3.34Å
464	Y	94.1	Very high	92.1	Very high	10 Å²	10	49.7 Å²	49.7	4%	0.039	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	152.2	172.9	81.6	-77.9	0	0	0	112	Y457 F458 F459 Y478 P479 K480 P481 V484 W485	Y457-Y464 AromaticContact CD1-CD2 3.88Å; Y457-Y464 HydrophobicContact CD1-CD2 3.88Å; Y457-Y464 AromaticContact CD1-CE2 3.86Å; Y457-Y464 HydrophobicContact CD1-CE2 3.86Å; Y457-Y464 HydrophobicContact CE1-CE2 4.05Å; F458-Y464 CarbonylContact O-C 3.53Å; F458-Y464 WeakPolarHBondContact O-CA 3.13Å; F458-Y464 WeakPolarHBondContact O-CB 3.32Å; F459-Y464 HydrophobicContact CE1-CG 4.24Å; Y464-Y478 HydrophobicContact CD2-CD1 4.47Å; Y464-Y478 HydrophobicContact CD2-CE1 4.01Å; Y464-Y478 HydrophobicContact CE1-CE1 4.43Å; Y464-Y478 HydrophobicContact CE2-CD1 4.23Å; Y464-Y478 AromaticContact CE2-CE1 3.37Å; Y464-Y478 HydrophobicContact CE2-CE1 3.37Å; Y464-Y478 AromaticContact CZ-CE1 3.59Å; Y464-Y478 WeakPolarHBondContact O-CD1 3.4Å; Y464-P479 CarbonylContact O-C 3.53Å; Y464-P479 VanDerWaalsContact O-CA 3.22Å; Y464-P479 WeakPolarHBondContact O-CA 3.34Å; Y464-P479 WeakPolarHBondContact O-CB 3.33Å; Y464-K480 HydrophobicContact CD1-CB 4Å; Y464-K480 WeakPolarHBondContact CD1-O 3.33Å; Y464-K480 HydrophobicContact CE1-CB 3.36Å; Y464-K480 PolarHBondContact N-O 2.78Å; Y464-K480 PolarHBondContact O-N 2.81Å; Y464-P481 WeakPolarHBondContact CE1-O 3.46Å; Y464-V484 HydrophobicContact CE1-CB 4.06Å; Y464-V484 HydrophobicContact CE1-CG2 4.19Å; Y464-W485 AromaticContact CD1-CD1 3.83Å; Y464-W485 AromaticContact CD1-NE1 3.53Å; Y464-W485 HydrophobicContact CD2-CZ2 4.31Å; Y464-W485 AromaticContact CD2-NE1 3.4Å; Y464-W485 AromaticContact CE1-CD1 3.84Å; Y464-W485 AromaticContact CE1-NE1 3.52Å; Y464-W485 HydrophobicContact CE2-CZ2 4.2Å; Y464-W485 AromaticContact CE2-NE1 3.35Å; Y464-W485 AromaticContact CG-NE1 3.48Å; Y464-W485 AromaticContact CZ-NE1 3.45Å
465	W	94.1	Very high	92.2	Very high	21 Å²	21	49.5 Å²	49.5	8%	0.08	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	149.7	178	-66.9	-109.4	0	0	0	108.9	G438 P440 Y457 F458 K460 R463 M474 P479	G438-W465 PolarHBondContact O-NE1 2.93Å; P440-W465 HydrophobicContact CB-CH2 4.1Å; P440-W465 HydrophobicContact CB-CZ2 3.84Å; P440-W465 HydrophobicContact CG-CD2 4.4Å; P440-W465 HydrophobicContact CG-CE3 4.45Å; P440-W465 HydrophobicContact CG-CH2 4.25Å; P440-W465 HydrophobicContact CG-CZ2 4.1Å; P440-W465 HydrophobicContact CG-CZ3 4.42Å; Y457-W465 WeakPolarHBondContact CA-O 3.42Å; F458-W465 HydrophobicContact CB-CB 4.32Å; F458-W465 PolarHBondContact N-O 3.43Å; F458-W465 PolarHBondContact O-N 3.09Å; K460-W465 HydrophobicContact CB-CH2 4.14Å; K460-W465 HydrophobicContact CB-CZ3 3.71Å; R463-W465 HydrophobicContact CB-CH2 3.81Å; R463-W465 HydrophobicContact CB-CZ3 3.84Å; W465-M474 HydrophobicContact CB-CE 4.31Å; W465-M474 HydrophobicContact CB-SD 4.1Å; W465-P479 HydrophobicContact CD2-CB 3.81Å; W465-P479 VanDerWaalsContact CE2-CB 3.45Å; W465-P479 HydrophobicContact CE3-CB 4.32Å; W465-P479 HydrophobicContact CG-CB 4.24Å; W465-P479 HydrophobicContact CH2-CB 4.1Å; W465-P479 HydrophobicContact CH2-CG 4.48Å; W465-P479 HydrophobicContact CZ2-CB 3.62Å; W465-P479 HydrophobicContact CZ2-CG 3.7Å; W465-P479 HydrophobicContact CZ3-CB 4.42Å
466	R	93.4	Very high	92.1	Very high	75 Å²	75	53.8 Å²	53.8	28%	0.283	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	118.3	175	-168.3	173	73.9	-173.9	4	109.4	K455 T456 Y457 D475 Y478	K455-R466 HydrophobicContact CB-CG 3.95Å; K455-R466 HydrophobicContact CD-CG 4.32Å; K455-R466 HydrophobicContact CG-CG 4.12Å; T456-R466 WeakPolarHBondContact O-CA 3.37Å; Y457-R466 HydrophobicContact CD1-CB 4.13Å; Y457-R466 HydrophobicContact CD1-CG 3.93Å; Y457-R466 HydrophobicContact CE1-CB 4.05Å; Y457-R466 HydrophobicContact CE1-CG 3.54Å; Y457-R466 WeakPolarHBondContact OH-CD 3.38Å; R466-D475 IonicContact CZ-OD2 3.93Å; R466-D475 IonicContact NE-OD2 3.45Å; R466-D475 PolarHBondContact NE-OD2 2.86Å; R466-D475 IonicContact NH2-OD2 3.54Å; R466-D475 PolarHBondContact NH2-OD2 2.86Å; R466-D475 PolarHBondContact O-N 2.98Å; R466-Y478 HydrophobicContact CB-CD1 3.99Å; R466-Y478 HydrophobicContact CB-CD2 3.91Å; R466-Y478 HydrophobicContact CB-CE1 3.66Å; R466-Y478 HydrophobicContact CB-CE2 3.56Å; R466-Y478 HydrophobicContact CB-CG 4.1Å; R466-Y478 VanDerWaalsContact CB-CZ 3.41Å; R466-Y478 WeakPolarHBondContact CD-OH 3.38Å; R466-Y478 HydrophobicContact CG-CE2 4.46Å; R466-Y478 VanDerWaalsContact CZ-OH 3.31Å; R466-Y478 PolarHBondContact NE-OH 3Å; R466-Y478 PolarHBondContact NH1-OH 3.29Å
467	Y	94.3	Very high	91.8	Very high	13 Å²	13	56.7 Å²	56.7	5%	0.051	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	136.1	179.6	-178.5	-107.5	0	0	0	110.2	F435 K455 T456 F458 E469 R472 M474	F435-Y467 HydrophobicContact CD1-CE2 4.2Å; F435-Y467 HydrophobicContact CE1-CD1 4.09Å; F435-Y467 HydrophobicContact CE1-CD2 4.06Å; F435-Y467 AromaticContact CE1-CE1 3.85Å; F435-Y467 HydrophobicContact CE1-CE1 3.85Å; F435-Y467 AromaticContact CE1-CE2 3.8Å; F435-Y467 HydrophobicContact CE1-CE2 3.8Å; F435-Y467 HydrophobicContact CE1-CG 4.18Å; F435-Y467 AromaticContact CE1-CZ 3.67Å; F435-Y467 HydrophobicContact CZ-CE1 4.25Å; K455-Y467 WeakPolarHBondContact CA-O 3.45Å; T456-Y467 PolarHBondContact N-O 3.01Å; T456-Y467 PolarHBondContact O-N 3.28Å; F458-Y467 HydrophobicContact CE2-CG 4.15Å; Y467-E469 HydrophobicContact CD1-CG 4.11Å; Y467-E469 HydrophobicContact CE1-CG 4.28Å; Y467-E469 WeakPolarHBondContact CE1-OE2 3.3Å; Y467-R472 VanDerWaalsContact CZ-C 3.5Å; Y467-R472 VanDerWaalsContact OH-C 3.26Å; Y467-R472 WeakPolarHBondContact OH-CA 3.23Å; Y467-R472 WeakPolarHBondContact OH-CB 3.42Å; Y467-R472 PolarHBondContact OH-O 3.07Å; Y467-M474 HydrophobicContact CD2-CE 4.01Å; Y467-M474 HydrophobicContact CD2-CG 4.44Å; Y467-M474 HydrophobicContact CD2-SD 4.01Å; Y467-M474 HydrophobicContact CG-CE 4.45Å; Y467-M474 HydrophobicContact CG-SD 4.44Å
468	N	91.2	Very high	91.7	Very high	8 Å²	8	57.5 Å²	57.5	4%	0.043	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	108.2	174.1	-172.3	-31.3	0	0	0	108.7	K455 E470 K471 R472 T473	K455-N468 HydrophobicContact CD-CB 4.35Å; K455-N468 VanDerWaalsContact NZ-CG 3.32Å; K455-N468 PolarHBondContact NZ-ND2 3.25Å; N468-E470 VanDerWaalsContact C-N 3.33Å; N468-E470 PolarHBondContact O-N 3.48Å; N468-E470 WeakPolarHBondContact OD1-CB 3.42Å; N468-E470 PolarHBondContact OD1-N 2.69Å; N468-E470 VanDerWaalsContact OD1-N 3.09Å; N468-K471 HydrophobicContact CB-CB 4.21Å; N468-K471 PolarHBondContact OD1-N 3.13Å; N468-R472 VanDerWaalsContact O-CA 3.23Å; N468-R472 WeakPolarHBondContact O-CA 3.44Å; N468-R472 PolarHBondContact O-N 2.74Å; N468-T473 WeakPolarHBondContact CB-O 3.48Å; N468-T473 PolarHBondContact N-O 3.31Å; N468-T473 PolarHBondContact O-N 2.7Å
469	E	88.5	Confident	91.6	Very high	15 Å²	15	59.7 Å²	59.7	7%	0.07	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-34.9	-179	-69	-72.8	171	0	0	111.7	Y401 T456 Y467 R472	Y401-E469 WeakPolarHBondContact CE2-OE1 3.39Å; Y401-E469 PolarHBondContact OH-OE1 3.1Å; T456-E469 WeakPolarHBondContact CB-OE1 3.48Å; T456-E469 WeakPolarHBondContact OG1-CG 3.37Å; T456-E469 PolarHBondContact OG1-OE1 2.86Å; Y467-E469 HydrophobicContact CD1-CG 4.11Å; Y467-E469 HydrophobicContact CE1-CG 4.28Å; Y467-E469 WeakPolarHBondContact CE1-OE2 3.3Å; E469-R472 WeakPolarHBondContact O-CG 3.27Å; E469-R472 PolarHBondContact O-N 3.45Å
470	E	88	Confident	91.5	Very high	156 Å²	156	63.9 Å²	63.9	73%	0.729	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-47.3	178.4	-61.2	177.5	170.4	0	0	112.1	A454 N468 R472	A454-E470 HydrophobicContact CB-CG 4.5Å; N468-E470 VanDerWaalsContact C-N 3.33Å; N468-E470 PolarHBondContact O-N 3.48Å; N468-E470 WeakPolarHBondContact OD1-CB 3.42Å; N468-E470 PolarHBondContact OD1-N 2.69Å; N468-E470 VanDerWaalsContact OD1-N 3.09Å; E470-R472 VanDerWaalsContact C-N 3.28Å
471	K	89.3	Confident	91.4	Very high	150 Å²	150	64.9 Å²	64.9	65%	0.652	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-4	180	-62.1	-172.8	-179.1	-177.2	0	113	N468 T473	N468-K471 HydrophobicContact CB-CB 4.21Å; N468-K471 PolarHBondContact OD1-N 3.13Å; K471-T473 VanDerWaalsContact CB-OG1 3.31Å; K471-T473 WeakPolarHBondContact CB-OG1 3.12Å; K471-T473 WeakPolarHBondContact O-CG2 3.5Å; K471-T473 PolarHBondContact O-N 2.97Å; K471-T473 VanDerWaalsContact O-N 3.1Å; K471-T473 PolarHBondContact O-OG1 3.24Å; K471-T473 VanDerWaalsContact O-OG1 3.13Å
472	R	88.8	Confident	91.5	Very high	155 Å²	155	64.2 Å²	64.2	59%	0.585	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.5	36.2	-173	-63.5	-176.1	173.3	178.5	-1.8	114.3	E405 Y467 N468 E469 E470	E405-R472 IonicContact OE1-CZ 3.03Å; E405-R472 IonicContact OE1-NH2 2.81Å; E405-R472 PolarHBondContact OE1-NH2 2.92Å; Y467-R472 VanDerWaalsContact CZ-C 3.5Å; Y467-R472 VanDerWaalsContact OH-C 3.26Å; Y467-R472 WeakPolarHBondContact OH-CA 3.23Å; Y467-R472 WeakPolarHBondContact OH-CB 3.42Å; Y467-R472 PolarHBondContact OH-O 3.07Å; N468-R472 VanDerWaalsContact O-CA 3.23Å; N468-R472 WeakPolarHBondContact O-CA 3.44Å; N468-R472 PolarHBondContact O-N 2.74Å; E469-R472 WeakPolarHBondContact O-CG 3.27Å; E469-R472 PolarHBondContact O-N 3.45Å; E470-R472 VanDerWaalsContact C-N 3.28Å
473	T	91.6	Very high	91.3	Very high	66 Å²	66	63.7 Å²	63.7	41%	0.405	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	152.6	-173.7	43.3	0	0	0	0	112.1	S436 N468 K471	S436-T473 WeakPolarHBondContact OG-CA 3.5Å; N468-T473 WeakPolarHBondContact CB-O 3.48Å; N468-T473 PolarHBondContact N-O 3.31Å; N468-T473 PolarHBondContact O-N 2.7Å; K471-T473 VanDerWaalsContact CB-OG1 3.31Å; K471-T473 WeakPolarHBondContact CB-OG1 3.12Å; K471-T473 WeakPolarHBondContact O-CG2 3.5Å; K471-T473 PolarHBondContact O-N 2.97Å; K471-T473 VanDerWaalsContact O-N 3.1Å; K471-T473 PolarHBondContact O-OG1 3.24Å; K471-T473 VanDerWaalsContact O-OG1 3.13Å
474	M	92.2	Very high	91.1	Very high	24 Å²	24	61.6 Å²	61.6	12%	0.118	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	136.3	170.3	-72.5	-63.2	175	0	0	111.1	S436 H437 M439 F458 W465 Y467	S436-M474 PolarHBondContact OG-N 3.3Å; H437-M474 WeakPolarHBondContact O-CB 3.49Å; H437-M474 WeakPolarHBondContact O-CG 3.43Å; M439-M474 HydrophobicContact CB-CE 4.45Å; M439-M474 HydrophobicContact CE-CE 4.4Å; M439-M474 HydrophobicContact CG-CE 3.37Å; M439-M474 HydrophobicContact SD-CE 3.14Å; M439-M474 WeakPolarHBondContact SD-CE 3.42Å; F458-M474 HydrophobicContact CD2-CE 3.85Å; F458-M474 HydrophobicContact CE2-CE 3.93Å; W465-M474 HydrophobicContact CB-CE 4.31Å; W465-M474 HydrophobicContact CB-SD 4.1Å; Y467-M474 HydrophobicContact CD2-CE 4.01Å; Y467-M474 HydrophobicContact CD2-CG 4.44Å; Y467-M474 HydrophobicContact CD2-SD 4.01Å; Y467-M474 HydrophobicContact CG-CE 4.45Å; Y467-M474 HydrophobicContact CG-SD 4.44Å
475	D	90.5	Very high	91	Very high	21 Å²	21	61.6 Å²	61.6	11%	0.112	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-66.6	141.4	173.8	-83	-10.6	0	0	0	109.7	K455 R466 Y478	K455-D475 IonicContact NZ-OD1 3.35Å; K455-D475 PolarHBondContact NZ-OD1 3.45Å; K455-D475 IonicContact NZ-OD2 3.89Å; K455-D475 PolarHBondContact NZ-OD2 3.37Å; R466-D475 IonicContact CZ-OD2 3.93Å; R466-D475 IonicContact NE-OD2 3.45Å; R466-D475 PolarHBondContact NE-OD2 2.86Å; R466-D475 IonicContact NH2-OD2 3.54Å; R466-D475 PolarHBondContact NH2-OD2 2.86Å; R466-D475 PolarHBondContact O-N 2.98Å; D475-Y478 HydrophobicContact CB-CD2 3.88Å; D475-Y478 HydrophobicContact CB-CE2 3.97Å; D475-Y478 WeakPolarHBondContact O-CD2 3.41Å
476	P	90.6	Very high	90.8	Very high	124 Å²	124	67.4 Å²	67.4	81%	0.805	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	147.2	176.3	-24.3	33.8	0	0	0	112.9
477	G	87.3	Confident	90.6	Very high	61 Å²	61	66.4 Å²	66.4	63%	0.629	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	14.5	177.5	0	0	0	0	0	115	K480	G477-K480 WeakPolarHBondContact O-CE 3.08Å; G477-K480 WeakPolarHBondContact O-CG 3.23Å
478	Y	91.4	Very high	90.5	Very high	37 Å²	37	66.5 Å²	66.5	15%	0.145	37%	0.368	C	S	.	.			trans	-106.5	150.4	169.2	-74.1	-85.6	0	0	0	110.8	Y464 R466 D475 K480	Y464-Y478 HydrophobicContact CD2-CD1 4.47Å; Y464-Y478 HydrophobicContact CD2-CE1 4.01Å; Y464-Y478 HydrophobicContact CE1-CE1 4.43Å; Y464-Y478 HydrophobicContact CE2-CD1 4.23Å; Y464-Y478 AromaticContact CE2-CE1 3.37Å; Y464-Y478 HydrophobicContact CE2-CE1 3.37Å; Y464-Y478 AromaticContact CZ-CE1 3.59Å; Y464-Y478 WeakPolarHBondContact O-CD1 3.4Å; R466-Y478 HydrophobicContact CB-CD1 3.99Å; R466-Y478 HydrophobicContact CB-CD2 3.91Å; R466-Y478 HydrophobicContact CB-CE1 3.66Å; R466-Y478 HydrophobicContact CB-CE2 3.56Å; R466-Y478 HydrophobicContact CB-CG 4.1Å; R466-Y478 VanDerWaalsContact CB-CZ 3.41Å; R466-Y478 WeakPolarHBondContact CD-OH 3.38Å; R466-Y478 HydrophobicContact CG-CE2 4.46Å; R466-Y478 VanDerWaalsContact CZ-OH 3.31Å; R466-Y478 PolarHBondContact NE-OH 3Å; R466-Y478 PolarHBondContact NH1-OH 3.29Å; D475-Y478 HydrophobicContact CB-CD2 3.88Å; D475-Y478 HydrophobicContact CB-CE2 3.97Å; D475-Y478 WeakPolarHBondContact O-CD2 3.41Å; Y478-K480 HydrophobicContact CD1-CB 4.1Å; Y478-K480 HydrophobicContact CD1-CD 4.39Å; Y478-K480 HydrophobicContact CD1-CG 3.87Å; Y478-K480 HydrophobicContact CE1-CB 4.04Å; Y478-K480 HydrophobicContact CE1-CD 3.87Å; Y478-K480 HydrophobicContact CE1-CG 3.83Å; Y478-K480 HydrophobicContact CG-CG 4.49Å
479	P	93.8	Very high	90.6	Very high	46 Å²	46	67.3 Å²	67.3	30%	0.299	37%	0.374	S	S	.	.			cis	-75.9	147.8	6.4	25.8	-31.5	0	0	0	115.5	R463 Y464 W465	R463-P479 HydrophobicContact CB-CB 4.07Å; R463-P479 HydrophobicContact CG-CB 4.4Å; Y464-P479 CarbonylContact O-C 3.53Å; Y464-P479 VanDerWaalsContact O-CA 3.22Å; Y464-P479 WeakPolarHBondContact O-CA 3.34Å; Y464-P479 WeakPolarHBondContact O-CB 3.33Å; W465-P479 HydrophobicContact CD2-CB 3.81Å; W465-P479 VanDerWaalsContact CE2-CB 3.45Å; W465-P479 HydrophobicContact CE3-CB 4.32Å; W465-P479 HydrophobicContact CG-CB 4.24Å; W465-P479 HydrophobicContact CH2-CB 4.1Å; W465-P479 HydrophobicContact CH2-CG 4.48Å; W465-P479 HydrophobicContact CZ2-CB 3.62Å; W465-P479 HydrophobicContact CZ2-CG 3.7Å; W465-P479 HydrophobicContact CZ3-CB 4.42Å
480	K	91.9	Very high	90.8	Very high	87 Å²	87	68.7 Å²	68.7	38%	0.378	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	156.5	173	-72.3	-166.7	179.8	-157.4	0	111	R463 Y464 G477 Y478	R463-K480 CarbonylContact C-O 3.59Å; R463-K480 VanDerWaalsContact CA-O 3.3Å; R463-K480 WeakPolarHBondContact CA-O 3.34Å; Y464-K480 HydrophobicContact CD1-CB 4Å; Y464-K480 WeakPolarHBondContact CD1-O 3.33Å; Y464-K480 HydrophobicContact CE1-CB 3.36Å; Y464-K480 PolarHBondContact N-O 2.78Å; Y464-K480 PolarHBondContact O-N 2.81Å; G477-K480 WeakPolarHBondContact O-CE 3.08Å; G477-K480 WeakPolarHBondContact O-CG 3.23Å; Y478-K480 HydrophobicContact CD1-CB 4.1Å; Y478-K480 HydrophobicContact CD1-CD 4.39Å; Y478-K480 HydrophobicContact CD1-CG 3.87Å; Y478-K480 HydrophobicContact CE1-CB 4.04Å; Y478-K480 HydrophobicContact CE1-CD 3.87Å; Y478-K480 HydrophobicContact CE1-CG 3.83Å; Y478-K480 HydrophobicContact CG-CG 4.49Å
481	P	92.4	Very high	90.8	Very high	60 Å²	60	62.7 Å²	62.7	39%	0.39	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	143	176.3	28.7	-35	0	0	0	110.8	D462 Y464 S483 V484	D462-P481 CarbonylContact O-C 3.55Å; D462-P481 WeakPolarHBondContact O-CA 3.17Å; Y464-P481 WeakPolarHBondContact CE1-O 3.46Å; P481-S483 PolarHBondContact O-N 3.02Å; P481-S483 VanDerWaalsContact O-N 3.13Å; P481-V484 WeakPolarHBondContact O-CG2 3.22Å; P481-V484 PolarHBondContact O-N 2.82Å
482	I	92.7	Very high	91.1	Very high	12 Å²	12	55.5 Å²	55.5	6%	0.062	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-65.2	-15	179.3	-161.1	171	0	0	0	112.4	F459 D462 V484 W485 V488 P489 A490	F459-I482 HydrophobicContact CD1-CD1 3.73Å; F459-I482 HydrophobicContact CD1-CG1 4.09Å; F459-I482 HydrophobicContact CE1-CD1 4.23Å; F459-I482 HydrophobicContact CE1-CG1 4.23Å; D462-I482 PolarHBondContact O-N 3.27Å; I482-V484 PolarHBondContact O-N 3.4Å; I482-W485 HydrophobicContact CG1-CB 4.34Å; I482-W485 HydrophobicContact CG1-CG 4.44Å; I482-W485 WeakPolarHBondContact O-CA 3.31Å; I482-W485 VanDerWaalsContact O-CB 3.26Å; I482-W485 WeakPolarHBondContact O-CB 3.47Å; I482-W485 PolarHBondContact O-N 3.41Å; I482-V488 HydrophobicContact CD1-CG1 4.32Å; I482-P489 WeakPolarHBondContact CD1-O 3.42Å; I482-A490 HydrophobicContact CG2-CB 4.37Å
483	S	88.3	Confident	91.3	Very high	86 Å²	86	51.2 Å²	51.2	60%	0.601	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-58.1	-17.6	175.2	57.5	0	0	0	0	114.6	P481 W485	P481-S483 PolarHBondContact O-N 3.02Å; P481-S483 VanDerWaalsContact O-N 3.13Å; S483-W485 PolarHBondContact O-N 3.43Å
484	V	89.2	Confident	91.4	Very high	66 Å²	66	48.1 Å²	48.1	40%	0.4	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-60.1	-34.8	168.2	178.6	0	0	0	0	111.1	Y464 P481 I482 K486	Y464-V484 HydrophobicContact CE1-CB 4.06Å; Y464-V484 HydrophobicContact CE1-CG2 4.19Å; P481-V484 WeakPolarHBondContact O-CG2 3.22Å; P481-V484 PolarHBondContact O-N 2.82Å; I482-V484 PolarHBondContact O-N 3.4Å; V484-K486 VanDerWaalsContact C-N 3.31Å; V484-K486 PolarHBondContact O-N 2.82Å; V484-K486 VanDerWaalsContact O-N 3.1Å
485	W	90.7	Very high	91.5	Very high	11 Å²	11	47.1 Å²	47.1	4%	0.042	30%	0.295	C	S	.	.	S	Bend	trans	-83.6	72.8	174.5	-57.8	81.4	0	0	0	109.6	W450 Y457 F459 Y464 I482 S483 G487 V488 F506 F515	W450-W485 AromaticContact CE2-CH2 3.84Å; W450-W485 AromaticContact CH2-CH2 3.79Å; W450-W485 HydrophobicContact CH2-CH2 3.79Å; W450-W485 AromaticContact CH2-CZ3 3.78Å; W450-W485 HydrophobicContact CH2-CZ3 3.78Å; W450-W485 AromaticContact CZ2-CH2 3.43Å; W450-W485 HydrophobicContact CZ2-CH2 3.43Å; W450-W485 VanDerWaalsContact CZ2-CH2 3.43Å; W450-W485 AromaticContact CZ2-CZ3 3.33Å; W450-W485 HydrophobicContact CZ2-CZ3 3.33Å; Y457-W485 HydrophobicContact CD1-CH2 4.26Å; Y457-W485 AromaticContact CD1-CZ2 3.61Å; Y457-W485 HydrophobicContact CD1-CZ2 3.61Å; Y457-W485 HydrophobicContact CD2-CH2 4.28Å; Y457-W485 HydrophobicContact CD2-CZ2 4.43Å; Y457-W485 HydrophobicContact CE1-CH2 4.44Å; Y457-W485 AromaticContact CE1-CZ2 3.88Å; Y457-W485 HydrophobicContact CE1-CZ2 3.88Å; Y457-W485 HydrophobicContact CG-CH2 4.14Å; Y457-W485 AromaticContact CG-CZ2 3.88Å; Y457-W485 HydrophobicContact CG-CZ2 3.88Å; F459-W485 AromaticContact CE1-CD1 3.94Å; F459-W485 HydrophobicContact CE1-CD2 4.06Å; F459-W485 AromaticContact CE1-CE2 3.74Å; F459-W485 HydrophobicContact CE1-CG 4.21Å; F459-W485 HydrophobicContact CE1-CZ2 4.21Å; F459-W485 AromaticContact CE1-NE1 3.63Å; F459-W485 HydrophobicContact CZ-CD2 4.09Å; F459-W485 AromaticContact CZ-CE2 3.64Å; F459-W485 HydrophobicContact CZ-CE3 4.45Å; F459-W485 HydrophobicContact CZ-CH2 4.05Å; F459-W485 AromaticContact CZ-CZ2 3.65Å; F459-W485 HydrophobicContact CZ-CZ2 3.65Å; F459-W485 HydrophobicContact CZ-CZ3 4.42Å; F459-W485 AromaticContact CZ-NE1 3.99Å; Y464-W485 AromaticContact CD1-CD1 3.83Å; Y464-W485 AromaticContact CD1-NE1 3.53Å; Y464-W485 HydrophobicContact CD2-CZ2 4.31Å; Y464-W485 AromaticContact CD2-NE1 3.4Å; Y464-W485 AromaticContact CE1-CD1 3.84Å; Y464-W485 AromaticContact CE1-NE1 3.52Å; Y464-W485 HydrophobicContact CE2-CZ2 4.2Å; Y464-W485 AromaticContact CE2-NE1 3.35Å; Y464-W485 AromaticContact CG-NE1 3.48Å; Y464-W485 AromaticContact CZ-NE1 3.45Å; I482-W485 HydrophobicContact CG1-CB 4.34Å; I482-W485 HydrophobicContact CG1-CG 4.44Å; I482-W485 WeakPolarHBondContact O-CA 3.31Å; I482-W485 VanDerWaalsContact O-CB 3.26Å; I482-W485 WeakPolarHBondContact O-CB 3.47Å; I482-W485 PolarHBondContact O-N 3.41Å; S483-W485 PolarHBondContact O-N 3.43Å; W485-G487 PolarHBondContact O-N 3.31Å; W485-G487 VanDerWaalsContact O-N 3.12Å; W485-V488 HydrophobicContact CB-CB 3.9Å; W485-V488 HydrophobicContact CB-CG2 3.83Å; W485-V488 WeakPolarHBondContact O-CB 3.49Å; W485-V488 PolarHBondContact O-N 2.78Å; W485-F506 HydrophobicContact CD2-CZ 4.36Å; W485-F506 AromaticContact CE3-CE2 3.93Å; W485-F506 HydrophobicContact CE3-CE2 3.93Å; W485-F506 AromaticContact CE3-CZ 3.6Å; W485-F506 HydrophobicContact CE3-CZ 3.6Å; W485-F506 HydrophobicContact CH2-CZ 4.48Å; W485-F506 HydrophobicContact CZ3-CE2 4.1Å; W485-F506 AromaticContact CZ3-CZ 3.65Å; W485-F506 HydrophobicContact CZ3-CZ 3.65Å; W485-F515 HydrophobicContact CB-CE2 4.19Å; W485-F515 HydrophobicContact CB-CZ 4.47Å; W485-F515 HydrophobicContact CD2-CZ 4.35Å; W485-F515 HydrophobicContact CE3-CD1 4.01Å; W485-F515 HydrophobicContact CE3-CD2 4.49Å; W485-F515 AromaticContact CE3-CE1 3.57Å; W485-F515 HydrophobicContact CE3-CE1 3.57Å; W485-F515 HydrophobicContact CE3-CE2 4.11Å; W485-F515 HydrophobicContact CE3-CG 4.43Å; W485-F515 AromaticContact CE3-CZ 3.6Å; W485-F515 HydrophobicContact CE3-CZ 3.6Å; W485-F515 HydrophobicContact CZ3-CD1 4.08Å; W485-F515 AromaticContact CZ3-CE1 3.74Å; W485-F515 HydrophobicContact CZ3-CE1 3.74Å; W485-F515 HydrophobicContact CZ3-CZ 4.24Å
486	K	89.9	Confident	91.7	Very high	143 Å²	143	46.5 Å²	46.5	62%	0.622	29%	0.291	S	S	*	.	B	Isolated β-bridge	trans	-54.7	119.2	-170.3	-65.9	-178.7	180	178	0	112	V484 R521 V522	V484-K486 VanDerWaalsContact C-N 3.31Å; V484-K486 PolarHBondContact O-N 2.82Å; V484-K486 VanDerWaalsContact O-N 3.1Å; K486-R521 HydrophobicContact CB-CB 4.04Å; K486-R521 CarbonylContact O-C 3.55Å; K486-R521 WeakPolarHBondContact O-CA 3.45Å; K486-V522 PolarHBondContact O-N 3.33Å
487	G	89.8	Confident	91.8	Very high	54 Å²	54	42.2 Å²	42.2	56%	0.557	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	-7.4	178.6	0	0	0	0	0	115.2	W485 W513	W485-G487 PolarHBondContact O-N 3.31Å; W485-G487 VanDerWaalsContact O-N 3.12Å; G487-W513 VanDerWaalsContact O-CD1 3.27Å
488	V	93.4	Very high	91.9	Very high	14 Å²	14	41.1 Å²	41.1	9%	0.085	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-78	135.1	173.3	179.7	0	0	0	0	109.2	I482 W485 F506 F515 V522	I482-V488 HydrophobicContact CD1-CG1 4.32Å; W485-V488 HydrophobicContact CB-CB 3.9Å; W485-V488 HydrophobicContact CB-CG2 3.83Å; W485-V488 WeakPolarHBondContact O-CB 3.49Å; W485-V488 PolarHBondContact O-N 2.78Å; V488-F506 HydrophobicContact CG1-CB 4.12Å; V488-F506 HydrophobicContact CG1-CD1 3.77Å; V488-F506 HydrophobicContact CG1-CD2 3.93Å; V488-F506 HydrophobicContact CG1-CE1 4.12Å; V488-F506 HydrophobicContact CG1-CE2 4.27Å; V488-F506 HydrophobicContact CG1-CG 3.66Å; V488-F506 HydrophobicContact CG1-CZ 4.36Å; V488-F506 HydrophobicContact CG2-CD2 3.68Å; V488-F506 HydrophobicContact CG2-CE2 3.77Å; V488-F506 HydrophobicContact CG2-CG 4.28Å; V488-F506 HydrophobicContact CG2-CZ 4.42Å; V488-F515 HydrophobicContact CG2-CB 4.43Å; V488-F515 HydrophobicContact CG2-CD2 3.58Å; V488-F515 HydrophobicContact CG2-CE2 4.12Å; V488-F515 HydrophobicContact CG2-CG 4.25Å; V488-V522 HydrophobicContact CG2-CG2 3.82Å
489	P	93.3	Very high	91.3	Very high	25 Å²	25	44.2 Å²	44.2	16%	0.162	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-69	149.1	177.7	30	-37.3	0	0	0	111.4	I482 K508 W513	I482-P489 WeakPolarHBondContact CD1-O 3.42Å; P489-K508 HydrophobicContact CB-CD 3.96Å; P489-K508 HydrophobicContact CG-CB 4.3Å; P489-K508 HydrophobicContact CG-CD 4.05Å; P489-W513 HydrophobicContact CB-CH2 4.45Å; P489-W513 HydrophobicContact CB-CZ2 4.26Å; P489-W513 HydrophobicContact CG-CD2 3.86Å; P489-W513 HydrophobicContact CG-CE3 3.73Å; P489-W513 HydrophobicContact CG-CH2 3.86Å; P489-W513 HydrophobicContact CG-CZ2 3.89Å; P489-W513 HydrophobicContact CG-CZ3 3.77Å
490	A	90.9	Very high	90.8	Very high	44 Å²	44	46.1 Å²	46.1	36%	0.364	28%	0.276	S	S	.	.	S	Bend	trans	-58	147.3	167.3	0	0	0	0	0	110.7	I482 K508	I482-A490 HydrophobicContact CG2-CB 4.37Å; A490-K508 WeakPolarHBondContact O-CE 3.31Å; A490-K508 PolarHBondContact O-NZ 3.38Å
491	S	89.3	Confident	90.4	Very high	30 Å²	30	48 Å²	48	21%	0.21	29%	0.286	C	S	.	.	S	Bend	trans	47.9	64.9	-178	-68.1	0	0	0	0	114.2	E445 G461 K508	E445-S491 WeakPolarHBondContact OE2-CA 3.45Å; E445-S491 WeakPolarHBondContact OE2-CB 3.31Å; E445-S491 PolarHBondContact OE2-OG 2.98Å; G461-S491 WeakPolarHBondContact CA-OG 3.42Å; G461-S491 PolarHBondContact N-OG 3.26Å; G461-S491 VanDerWaalsContact N-OG 3.16Å; G461-S491 PolarHBondContact O-N 2.85Å; G461-S491 PolarHBondContact O-OG 2.9Å; S491-K508 WeakPolarHBondContact O-CD 3.42Å; S491-K508 WeakPolarHBondContact O-CE 3.37Å
492	P	94.3	Very high	90.1	Very high	0 Å²	0	46 Å²	46	0%	0	28%	0.277	C	S	.	.			trans	-59.7	152.9	164.8	28.1	-32.1	0	0	0	109.8	T446 F459 F506	T446-P492 HydrophobicContact CG2-CG 4.28Å; T446-P492 PolarHBondContact OG1-O 3.03Å; F459-P492 HydrophobicContact CB-CG 3.97Å; F459-P492 HydrophobicContact CD1-CG 4.38Å; F459-P492 HydrophobicContact CG-CG 4.09Å; P492-F506 HydrophobicContact CB-CD1 3.95Å; P492-F506 HydrophobicContact CG-CD1 4.04Å; P492-F506 HydrophobicContact CG-CE1 4.49Å
493	Q	93.8	Very high	90.1	Very high	65 Å²	65	47 Å²	47	30%	0.304	28%	0.281	S	S	.	.	S	Bend	trans	-100.5	-20.3	178.7	-66.4	-179.1	-78	0	0	112.4	T354 T446 Y507 K508	T354-Q493 VanDerWaalsContact CA-O 3.26Å; T354-Q493 WeakPolarHBondContact CA-O 3.38Å; T354-Q493 VanDerWaalsContact CB-O 3.23Å; T354-Q493 WeakPolarHBondContact CB-O 3.2Å; T354-Q493 PolarHBondContact OG1-O 3.19Å; T446-Q493 PolarHBondContact OG1-N 3.3Å; Q493-Y507 HydrophobicContact CB-CD1 4.03Å; Q493-Y507 HydrophobicContact CB-CE1 4.16Å; Q493-Y507 PolarHBondContact N-O 2.81Å; Q493-K508 HydrophobicContact CG-CG 4.42Å
494	G	93.8	Very high	90.4	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	158.3	173.3	0	0	0	0	0	110.8	T446 Y507	T446-G494 PolarHBondContact OG1-N 3.36Å; T446-G494 VanDerWaalsContact OG1-N 3.17Å; G494-Y507 PolarHBondContact N-O 2.8Å; G494-Y507 PolarHBondContact O-N 3.42Å
495	A	95	Very high	90.7	Very high	4 Å²	4	41 Å²	41	3%	0.033	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	147.5	173.2	0	0	0	0	0	110.8	V355 T446 V448 Y505 F506	V355-A495 PolarHBondContact O-N 3.06Å; T446-A495 HydrophobicContact CG2-CB 3.48Å; T446-A495 VanDerWaalsContact CG2-CB 3.48Å; V448-A495 HydrophobicContact CB-CB 4Å; V448-A495 HydrophobicContact CG1-CB 4.35Å; V448-A495 HydrophobicContact CG2-CB 4.34Å; A495-Y505 WeakPolarHBondContact CA-O 3.2Å; A495-F506 HydrophobicContact CB-CD1 3.81Å; A495-F506 HydrophobicContact CB-CE1 3.95Å; A495-F506 HydrophobicContact CB-CG 4.49Å
496	F	94.2	Very high	91	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.035	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	152.8	174.7	57.5	-91	0	0	0	111.1	V355 I357 M362 Y505 F530 F534	V355-F496 HydrophobicContact CG1-CD1 4.19Å; V355-F496 HydrophobicContact CG1-CE1 4.18Å; I357-F496 HydrophobicContact CB-CB 4.1Å; I357-F496 HydrophobicContact CD1-CB 3.96Å; I357-F496 HydrophobicContact CD1-CD2 3.41Å; I357-F496 VanDerWaalsContact CD1-CD2 3.41Å; I357-F496 HydrophobicContact CD1-CE2 4.17Å; I357-F496 HydrophobicContact CD1-CG 3.94Å; I357-F496 HydrophobicContact CG1-CB 3.73Å; I357-F496 HydrophobicContact CG1-CD2 3.92Å; I357-F496 HydrophobicContact CG1-CG 3.93Å; M362-F496 HydrophobicContact CE-CD1 4.47Å; M362-F496 HydrophobicContact CE-CE1 3.8Å; M362-F496 HydrophobicContact CE-CE2 3.85Å; M362-F496 HydrophobicContact CE-CZ 3.44Å; M362-F496 VanDerWaalsContact CE-CZ 3.44Å; F496-Y505 AromaticContact CD2-CD2 3.93Å; F496-Y505 HydrophobicContact CD2-CD2 3.93Å; F496-Y505 HydrophobicContact CD2-CG 4.38Å; F496-Y505 AromaticContact CE2-CD2 3.45Å; F496-Y505 HydrophobicContact CE2-CD2 3.45Å; F496-Y505 VanDerWaalsContact CE2-CD2 3.45Å; F496-Y505 HydrophobicContact CE2-CE2 4.33Å; F496-Y505 AromaticContact CE2-CG 3.7Å; F496-Y505 HydrophobicContact CE2-CG 3.7Å; F496-Y505 VanDerWaalsContact CZ-CB 3.49Å; F496-Y505 HydrophobicContact CZ-CD2 4.16Å; F496-Y505 AromaticContact CZ-CG 3.92Å; F496-Y505 HydrophobicContact CZ-CG 3.92Å; F496-Y505 PolarHBondContact N-O 3.35Å; F496-Y505 PolarHBondContact O-N 3.08Å; F496-F530 HydrophobicContact CE1-CE2 4.02Å; F496-F530 HydrophobicContact CZ-CE2 4.28Å; F496-F534 HydrophobicContact CE2-CE1 4.1Å; F496-F534 HydrophobicContact CE2-CZ 4.3Å; F496-F534 HydrophobicContact CZ-CD1 4.37Å; F496-F534 AromaticContact CZ-CE1 3.72Å; F496-F534 HydrophobicContact CZ-CE1 3.72Å; F496-F534 HydrophobicContact CZ-CE2 4.42Å; F496-F534 AromaticContact CZ-CZ 3.75Å; F496-F534 HydrophobicContact CZ-CZ 3.75Å
497	V	91.8	Very high	91.2	Very high	33 Å²	33	33.7 Å²	33.7	20%	0.2	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131.5	-176	-172.4	0	0	0	0	109.9	V448 W449 T504	V448-V497 HydrophobicContact CG2-CG2 3.43Å; V448-V497 VanDerWaalsContact CG2-CG2 3.43Å; W449-V497 WeakPolarHBondContact O-CG2 3.38Å; V497-T504 HydrophobicContact CG2-CG2 4.46Å
498	D	89.1	Confident	91.4	Very high	38 Å²	38	34.7 Å²	34.7	20%	0.203	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	92.4	163.6	176.2	3.6	0	0	0	108.4	A500 H501 G502 F503 Y505	D498-A500 VanDerWaalsContact C-N 3.3Å; D498-A500 PolarHBondContact O-N 3.13Å; D498-A500 PolarHBondContact OD1-N 3.45Å; D498-H501 VanDerWaalsContact CG-ND1 3.31Å; D498-H501 PolarHBondContact O-N 2.97Å; D498-H501 IonicContact OD1-CG 3.4Å; D498-H501 PolarHBondContact OD1-N 3.43Å; D498-H501 IonicContact OD1-ND1 3.34Å; D498-H501 PolarHBondContact OD1-ND1 2.77Å; D498-H501 VanDerWaalsContact OD1-ND1 3.16Å; D498-H501 IonicContact OD2-CE1 3.08Å; D498-H501 IonicContact OD2-CG 2.99Å; D498-H501 IonicContact OD2-ND1 2.73Å; D498-H501 PolarHBondContact OD2-ND1 3.16Å; D498-G502 PolarHBondContact O-N 3.33Å; D498-F503 PolarHBondContact N-O 3.03Å; D498-F503 PolarHBondContact O-N 2.89Å; D498-F503 VanDerWaalsContact O-N 3.13Å; D498-Y505 HydrophobicContact CB-CD2 4.25Å; D498-Y505 HydrophobicContact CB-CE2 3.6Å
499	K	79.9	Confident	91.2	Very high	103 Å²	103	35.5 Å²	35.5	45%	0.448	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-37.1	-176.9	-172.5	-177.2	-174.6	-179.9	0	112.2	E451 D452 H501 G502	E451-K499 IonicContact OE1-NZ 3.26Å; E451-K499 PolarHBondContact OE1-NZ 3Å; E451-K499 WeakPolarHBondContact OE2-CD 3.26Å; E451-K499 WeakPolarHBondContact OE2-CE 3.43Å; E451-K499 IonicContact OE2-NZ 3.25Å; E451-K499 PolarHBondContact OE2-NZ 2.71Å; D452-K499 VanDerWaalsContact OD1-CE 3.25Å; D452-K499 WeakPolarHBondContact OD1-CE 3.35Å; K499-H501 PolarHBondContact O-N 3.46Å; K499-G502 PolarHBondContact O-N 3.43Å
500	A	82.3	Confident	91.1	Very high	86 Å²	86	40.3 Å²	40.3	71%	0.711	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-33.9	-175.4	0	0	0	0	0	112	D498	D498-A500 VanDerWaalsContact C-N 3.3Å; D498-A500 PolarHBondContact O-N 3.13Å; D498-A500 PolarHBondContact OD1-N 3.45Å
501	H	84.3	Confident	91.2	Very high	125 Å²	125	42.6 Å²	42.6	58%	0.579	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.7	-0.2	-176.5	-52.2	111.2	0	0	0	113.7	D498 K499 F503	D498-H501 VanDerWaalsContact CG-ND1 3.31Å; D498-H501 PolarHBondContact O-N 2.97Å; D498-H501 IonicContact OD1-CG 3.4Å; D498-H501 PolarHBondContact OD1-N 3.43Å; D498-H501 IonicContact OD1-ND1 3.34Å; D498-H501 PolarHBondContact OD1-ND1 2.77Å; D498-H501 VanDerWaalsContact OD1-ND1 3.16Å; D498-H501 IonicContact OD2-CE1 3.08Å; D498-H501 IonicContact OD2-CG 2.99Å; D498-H501 IonicContact OD2-ND1 2.73Å; D498-H501 PolarHBondContact OD2-ND1 3.16Å; K499-H501 PolarHBondContact O-N 3.46Å; H501-F503 HydrophobicContact CB-CD2 3.53Å; H501-F503 HydrophobicContact CB-CE2 3.74Å; H501-F503 WeakPolarHBondContact O-CD2 3.38Å; H501-F503 WeakPolarHBondContact O-CE2 3.24Å
502	G	86.3	Confident	91.6	Very high	19 Å²	19	41.6 Å²	41.6	20%	0.196	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	31.7	176.2	0	0	0	0	0	114.7	D498 K499 N517	D498-G502 PolarHBondContact O-N 3.33Å; K499-G502 PolarHBondContact O-N 3.43Å; G502-N517 WeakPolarHBondContact O-CB 3.36Å; G502-N517 PolarHBondContact O-N 2.86Å
503	F	93.3	Very high	91.7	Very high	34 Å²	34	42.9 Å²	42.9	15%	0.149	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	148.6	-179.7	-61.5	-72.5	0	0	0	112.2	D498 H501 Y505 K514 F515 N516 E523	D498-F503 PolarHBondContact N-O 3.03Å; D498-F503 PolarHBondContact O-N 2.89Å; D498-F503 VanDerWaalsContact O-N 3.13Å; H501-F503 HydrophobicContact CB-CD2 3.53Å; H501-F503 HydrophobicContact CB-CE2 3.74Å; H501-F503 WeakPolarHBondContact O-CD2 3.38Å; H501-F503 WeakPolarHBondContact O-CE2 3.24Å; F503-Y505 HydrophobicContact CB-CE2 4.12Å; F503-K514 HydrophobicContact CB-CG 4.19Å; F503-K514 HydrophobicContact CD1-CD 4.26Å; F503-K514 VanDerWaalsContact CD1-CE 3.42Å; F503-K514 HydrophobicContact CD1-CG 3.92Å; F503-K514 VanDerWaalsContact CE2-CE 3.42Å; F503-K514 HydrophobicContact CG-CD 4.32Å; F503-K514 HydrophobicContact CG-CG 4.08Å; F503-F515 CarbonylContact C-O 3.52Å; F503-F515 VanDerWaalsContact CA-O 3.3Å; F503-F515 WeakPolarHBondContact CA-O 3.49Å; F503-N516 HydrophobicContact CD1-CB 4.24Å; F503-N516 HydrophobicContact CE1-CB 4.11Å; F503-E523 HydrophobicContact CE1-CG 4.1Å
504	T	93.9	Very high	91.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.2	166.1	-57.4	0	0	0	0	109	V448 W450 V497 F506 F515 N517	V448-T504 HydrophobicContact CG2-CG2 4.5Å; W450-T504 WeakPolarHBondContact CZ2-OG1 3.28Å; W450-T504 PolarHBondContact NE1-OG1 3.24Å; V497-T504 HydrophobicContact CG2-CG2 4.46Å; T504-F506 HydrophobicContact CG2-CD2 4.15Å; T504-F506 HydrophobicContact CG2-CE2 3.59Å; T504-F506 HydrophobicContact CG2-CZ 3.84Å; T504-F515 PolarHBondContact N-O 3.13Å; T504-F515 WeakPolarHBondContact O-CA 3.41Å; T504-F515 VanDerWaalsContact O-CB 3.23Å; T504-F515 WeakPolarHBondContact O-CB 3.44Å; T504-F515 PolarHBondContact O-N 3.27Å; T504-N517 WeakPolarHBondContact CB-OD1 3.19Å; T504-N517 PolarHBondContact N-OD1 3.2Å; T504-N517 PolarHBondContact OG1-ND2 3Å; T504-N517 PolarHBondContact OG1-OD1 3.05Å
505	Y	95.4	Very high	91.9	Very high	25 Å²	25	41.9 Å²	41.9	10%	0.098	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	124.2	176.4	-63.3	-87.8	0	0	0	109.2	A495 F496 D498 F503 Y512 W513 K514 F534	A495-Y505 WeakPolarHBondContact CA-O 3.2Å; F496-Y505 AromaticContact CD2-CD2 3.93Å; F496-Y505 HydrophobicContact CD2-CD2 3.93Å; F496-Y505 HydrophobicContact CD2-CG 4.38Å; F496-Y505 AromaticContact CE2-CD2 3.45Å; F496-Y505 HydrophobicContact CE2-CD2 3.45Å; F496-Y505 VanDerWaalsContact CE2-CD2 3.45Å; F496-Y505 HydrophobicContact CE2-CE2 4.33Å; F496-Y505 AromaticContact CE2-CG 3.7Å; F496-Y505 HydrophobicContact CE2-CG 3.7Å; F496-Y505 VanDerWaalsContact CZ-CB 3.49Å; F496-Y505 HydrophobicContact CZ-CD2 4.16Å; F496-Y505 AromaticContact CZ-CG 3.92Å; F496-Y505 HydrophobicContact CZ-CG 3.92Å; F496-Y505 PolarHBondContact N-O 3.35Å; F496-Y505 PolarHBondContact O-N 3.08Å; D498-Y505 HydrophobicContact CB-CD2 4.25Å; D498-Y505 HydrophobicContact CB-CE2 3.6Å; F503-Y505 HydrophobicContact CB-CE2 4.12Å; Y505-Y512 AromaticContact CD1-CD2 3.74Å; Y505-Y512 HydrophobicContact CD1-CD2 3.74Å; Y505-Y512 AromaticContact CD1-CE2 3.68Å; Y505-Y512 HydrophobicContact CD1-CE2 3.68Å; Y505-Y512 HydrophobicContact CE1-CD2 4.45Å; Y505-Y512 AromaticContact CE1-CE2 3.93Å; Y505-Y512 HydrophobicContact CE1-CE2 3.93Å; Y505-W513 WeakPolarHBondContact CA-O 3.34Å; Y505-K514 HydrophobicContact CD1-CB 4.05Å; Y505-K514 HydrophobicContact CD1-CG 4.15Å; Y505-K514 HydrophobicContact CE1-CB 3.82Å; Y505-K514 HydrophobicContact CE1-CD 3.81Å; Y505-K514 HydrophobicContact CE1-CG 3.57Å; Y505-K514 WeakPolarHBondContact OH-CE 3.21Å; Y505-F534 HydrophobicContact CD1-CZ 4.04Å; Y505-F534 HydrophobicContact CE1-CZ 4.26Å; Y505-F534 HydrophobicContact CG-CZ 4.37Å
506	F	96.3	Very high	91.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	136.3	173.6	-69.9	-88.7	0	0	0	109.9	F459 W485 V488 P492 A495 T504 Y512 W513 F515	F459-F506 HydrophobicContact CE1-CE1 4.19Å; F459-F506 AromaticContact CE2-CE1 3.94Å; F459-F506 HydrophobicContact CE2-CE1 3.94Å; F459-F506 HydrophobicContact CE2-CZ 4.47Å; F459-F506 AromaticContact CZ-CE1 3.72Å; F459-F506 HydrophobicContact CZ-CE1 3.72Å; F459-F506 AromaticContact CZ-CZ 3.96Å; F459-F506 HydrophobicContact CZ-CZ 3.96Å; W485-F506 HydrophobicContact CD2-CZ 4.36Å; W485-F506 AromaticContact CE3-CE2 3.93Å; W485-F506 HydrophobicContact CE3-CE2 3.93Å; W485-F506 AromaticContact CE3-CZ 3.6Å; W485-F506 HydrophobicContact CE3-CZ 3.6Å; W485-F506 HydrophobicContact CH2-CZ 4.48Å; W485-F506 HydrophobicContact CZ3-CE2 4.1Å; W485-F506 AromaticContact CZ3-CZ 3.65Å; W485-F506 HydrophobicContact CZ3-CZ 3.65Å; V488-F506 HydrophobicContact CG1-CB 4.12Å; V488-F506 HydrophobicContact CG1-CD1 3.77Å; V488-F506 HydrophobicContact CG1-CD2 3.93Å; V488-F506 HydrophobicContact CG1-CE1 4.12Å; V488-F506 HydrophobicContact CG1-CE2 4.27Å; V488-F506 HydrophobicContact CG1-CG 3.66Å; V488-F506 HydrophobicContact CG1-CZ 4.36Å; V488-F506 HydrophobicContact CG2-CD2 3.68Å; V488-F506 HydrophobicContact CG2-CE2 3.77Å; V488-F506 HydrophobicContact CG2-CG 4.28Å; V488-F506 HydrophobicContact CG2-CZ 4.42Å; P492-F506 HydrophobicContact CB-CD1 3.95Å; P492-F506 HydrophobicContact CG-CD1 4.04Å; P492-F506 HydrophobicContact CG-CE1 4.49Å; A495-F506 HydrophobicContact CB-CD1 3.81Å; A495-F506 HydrophobicContact CB-CE1 3.95Å; A495-F506 HydrophobicContact CB-CG 4.49Å; T504-F506 HydrophobicContact CG2-CD2 4.15Å; T504-F506 HydrophobicContact CG2-CE2 3.59Å; T504-F506 HydrophobicContact CG2-CZ 3.84Å; F506-Y512 CarbonylContact O-C 3.5Å; F506-Y512 WeakPolarHBondContact O-CA 3.36Å; F506-Y512 VanDerWaalsContact O-CB 3.31Å; F506-Y512 WeakPolarHBondContact O-CB 3.35Å; F506-W513 HydrophobicContact CB-CB 4.45Å; F506-W513 PolarHBondContact N-O 3.41Å; F506-W513 PolarHBondContact O-N 3.04Å; F506-F515 HydrophobicContact CD2-CB 3.95Å; F506-F515 HydrophobicContact CE2-CB 3.78Å; F506-F515 HydrophobicContact CE2-CD1 4.42Å; F506-F515 HydrophobicContact CE2-CG 4.06Å
507	Y	95.3	Very high	91.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.6	-179	166.4	-106.7	0	0	0	111.1	F352 V355 Q493 G494 G509 E511 F530	F352-Y507 HydrophobicContact CB-CE1 3.86Å; F352-Y507 HydrophobicContact CD2-CE1 4.21Å; F352-Y507 HydrophobicContact CD2-CE2 4.16Å; F352-Y507 AromaticContact CD2-CZ 3.65Å; F352-Y507 WeakPolarHBondContact CD2-OH 3.35Å; F352-Y507 PolarHBondContact N-OH 3.42Å; V355-Y507 HydrophobicContact CG2-CD1 3.93Å; V355-Y507 HydrophobicContact CG2-CE1 4.18Å; V355-Y507 HydrophobicContact CG2-CG 4.31Å; Q493-Y507 HydrophobicContact CB-CD1 4.03Å; Q493-Y507 HydrophobicContact CB-CE1 4.16Å; Q493-Y507 PolarHBondContact N-O 2.81Å; G494-Y507 PolarHBondContact N-O 2.8Å; G494-Y507 PolarHBondContact O-N 3.42Å; Y507-G509 WeakPolarHBondContact CE2-O 3.39Å; Y507-G509 VanDerWaalsContact CZ-O 3.25Å; Y507-G509 PolarHBondContact OH-O 3.02Å; Y507-E511 WeakPolarHBondContact CD2-O 3.15Å; Y507-F530 HydrophobicContact CD2-CB 3.96Å; Y507-F530 AromaticContact CD2-CD1 3.83Å; Y507-F530 HydrophobicContact CD2-CD1 3.83Å; Y507-F530 HydrophobicContact CD2-CD2 4Å; Y507-F530 HydrophobicContact CD2-CE1 4.36Å; Y507-F530 AromaticContact CD2-CG 3.63Å; Y507-F530 HydrophobicContact CD2-CG 3.63Å; Y507-F530 HydrophobicContact CE2-CB 4.1Å; Y507-F530 AromaticContact CE2-CD1 3.8Å; Y507-F530 HydrophobicContact CE2-CD1 3.8Å; Y507-F530 HydrophobicContact CE2-CE1 4.48Å; Y507-F530 AromaticContact CE2-CG 3.95Å; Y507-F530 HydrophobicContact CE2-CG 3.95Å
508	K	93.9	Very high	91.1	Very high	75 Å²	75	50.3 Å²	50.3	33%	0.326	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	127.2	172	-166.6	180	-178.7	-178.8	0	110.9	P489 A490 S491 Q493 K510 E511 W513	P489-K508 HydrophobicContact CB-CD 3.96Å; P489-K508 HydrophobicContact CG-CB 4.3Å; P489-K508 HydrophobicContact CG-CD 4.05Å; A490-K508 WeakPolarHBondContact O-CE 3.31Å; A490-K508 PolarHBondContact O-NZ 3.38Å; S491-K508 WeakPolarHBondContact O-CD 3.42Å; S491-K508 WeakPolarHBondContact O-CE 3.37Å; Q493-K508 HydrophobicContact CG-CG 4.42Å; K508-K510 PolarHBondContact O-N 2.76Å; K508-K510 VanDerWaalsContact O-N 3.13Å; K508-E511 PolarHBondContact N-O 2.9Å; K508-E511 PolarHBondContact O-N 3.3Å; K508-W513 HydrophobicContact CB-CH2 4.04Å; K508-W513 HydrophobicContact CB-CZ3 3.63Å
509	G	89.9	Confident	91.1	Very high	32 Å²	32	53 Å²	53	33%	0.33	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	-104.3	177.6	0	0	0	0	0	112.5	Y507	Y507-G509 WeakPolarHBondContact CE2-O 3.39Å; Y507-G509 VanDerWaalsContact CZ-O 3.25Å; Y507-G509 PolarHBondContact OH-O 3.02Å
510	K	90.1	Very high	91.5	Very high	126 Å²	126	52.1 Å²	52.1	55%	0.548	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120	8.6	174.1	-60.3	-168.7	-176.2	-162.3	0	112.1	D349 K508 F530	D349-K510 WeakPolarHBondContact O-CE 3.36Å; D349-K510 PolarHBondContact O-NZ 2.92Å; K508-K510 PolarHBondContact O-N 2.76Å; K508-K510 VanDerWaalsContact O-N 3.13Å; K510-F530 PolarHBondContact O-N 2.84Å
511	E	94.1	Very high	91.9	Very high	91 Å²	91	54.1 Å²	54.1	43%	0.425	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	158.7	-168.6	-68.1	-178.3	143.6	0	0	110.9	Y507 K508 W513 P527 R528	Y507-E511 WeakPolarHBondContact CD2-O 3.15Å; K508-E511 PolarHBondContact N-O 2.9Å; K508-E511 PolarHBondContact O-N 3.3Å; E511-W513 HydrophobicContact CB-CH2 3.64Å; E511-W513 HydrophobicContact CB-CZ2 4.41Å; E511-W513 HydrophobicContact CB-CZ3 3.83Å; E511-P527 HydrophobicContact CB-CB 3.89Å; E511-P527 HydrophobicContact CG-CB 4.25Å; E511-R528 CarbonylContact C-O 3.59Å; E511-R528 VanDerWaalsContact CA-O 3.26Å; E511-R528 WeakPolarHBondContact CA-O 3.12Å
512	Y	96	Very high	92.4	Very high	9 Å²	9	49.1 Å²	49.1	4%	0.035	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	155.2	171.6	79.6	-79.1	0	0	0	112.4	Y505 F506 Y526 P527 R528 F530 D533 F534	Y505-Y512 AromaticContact CD1-CD2 3.74Å; Y505-Y512 HydrophobicContact CD1-CD2 3.74Å; Y505-Y512 AromaticContact CD1-CE2 3.68Å; Y505-Y512 HydrophobicContact CD1-CE2 3.68Å; Y505-Y512 HydrophobicContact CE1-CD2 4.45Å; Y505-Y512 AromaticContact CE1-CE2 3.93Å; Y505-Y512 HydrophobicContact CE1-CE2 3.93Å; F506-Y512 CarbonylContact O-C 3.5Å; F506-Y512 WeakPolarHBondContact O-CA 3.36Å; F506-Y512 VanDerWaalsContact O-CB 3.31Å; F506-Y512 WeakPolarHBondContact O-CB 3.35Å; Y512-Y526 HydrophobicContact CD2-CD1 4.34Å; Y512-Y526 HydrophobicContact CD2-CE1 4.04Å; Y512-Y526 HydrophobicContact CE1-CE1 4.38Å; Y512-Y526 HydrophobicContact CE2-CD1 4.06Å; Y512-Y526 AromaticContact CE2-CE1 3.34Å; Y512-Y526 HydrophobicContact CE2-CE1 3.34Å; Y512-Y526 AromaticContact CZ-CE1 3.54Å; Y512-Y526 WeakPolarHBondContact O-CD1 3.33Å; Y512-P527 VanDerWaalsContact O-CA 3.29Å; Y512-P527 WeakPolarHBondContact O-CA 3.27Å; Y512-R528 HydrophobicContact CD1-CB 4.13Å; Y512-R528 WeakPolarHBondContact CD1-O 3.31Å; Y512-R528 HydrophobicContact CE1-CB 3.47Å; Y512-R528 VanDerWaalsContact CE1-CB 3.47Å; Y512-R528 PolarHBondContact N-O 2.94Å; Y512-R528 PolarHBondContact O-N 2.87Å; Y512-F530 HydrophobicContact CD1-CB 4.03Å; Y512-F530 HydrophobicContact CD1-CD2 4.19Å; Y512-F530 HydrophobicContact CG-CD2 4.1Å; Y512-D533 HydrophobicContact CE1-CB 3.9Å; Y512-D533 WeakPolarHBondContact CE1-OD2 3.25Å; Y512-D533 PolarHBondContact OH-OD2 3.48Å; Y512-F534 HydrophobicContact CD1-CD2 4.26Å; Y512-F534 AromaticContact CD1-CE2 3.89Å; Y512-F534 HydrophobicContact CD1-CE2 3.89Å; Y512-F534 AromaticContact CD2-CE2 3.64Å; Y512-F534 HydrophobicContact CD2-CE2 3.64Å; Y512-F534 HydrophobicContact CD2-CZ 4.28Å; Y512-F534 HydrophobicContact CE1-CD2 4.17Å; Y512-F534 AromaticContact CE1-CE2 3.75Å; Y512-F534 HydrophobicContact CE1-CE2 3.75Å; Y512-F534 AromaticContact CE2-CE2 3.45Å; Y512-F534 HydrophobicContact CE2-CE2 3.45Å; Y512-F534 VanDerWaalsContact CE2-CE2 3.45Å; Y512-F534 AromaticContact CE2-CZ 3.95Å; Y512-F534 HydrophobicContact CE2-CZ 3.95Å; Y512-F534 AromaticContact CG-CE2 3.82Å; Y512-F534 HydrophobicContact CG-CE2 3.82Å; Y512-F534 AromaticContact CZ-CE2 3.5Å
513	W	97	Very high	92.8	Very high	27 Å²	27	50.7 Å²	50.7	10%	0.102	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.7	-179.9	-65.8	-106.5	0	0	0	109	G487 P489 Y505 F506 K508 E511 V522 P527	G487-W513 VanDerWaalsContact O-CD1 3.27Å; P489-W513 HydrophobicContact CB-CH2 4.45Å; P489-W513 HydrophobicContact CB-CZ2 4.26Å; P489-W513 HydrophobicContact CG-CD2 3.86Å; P489-W513 HydrophobicContact CG-CE3 3.73Å; P489-W513 HydrophobicContact CG-CH2 3.86Å; P489-W513 HydrophobicContact CG-CZ2 3.89Å; P489-W513 HydrophobicContact CG-CZ3 3.77Å; Y505-W513 WeakPolarHBondContact CA-O 3.34Å; F506-W513 HydrophobicContact CB-CB 4.45Å; F506-W513 PolarHBondContact N-O 3.41Å; F506-W513 PolarHBondContact O-N 3.04Å; K508-W513 HydrophobicContact CB-CH2 4.04Å; K508-W513 HydrophobicContact CB-CZ3 3.63Å; E511-W513 HydrophobicContact CB-CH2 3.64Å; E511-W513 HydrophobicContact CB-CZ2 4.41Å; E511-W513 HydrophobicContact CB-CZ3 3.83Å; W513-V522 HydrophobicContact CB-CG1 4.11Å; W513-V522 HydrophobicContact CB-CG2 3.99Å; W513-P527 HydrophobicContact CD2-CB 4.14Å; W513-P527 HydrophobicContact CH2-CB 4.25Å; W513-P527 HydrophobicContact CZ2-CB 3.71Å; W513-P527 HydrophobicContact CZ2-CG 3.94Å
514	K	96.3	Very high	92.7	Very high	44 Å²	44	54.2 Å²	54.2	19%	0.191	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	107.5	173.2	-176.4	176.6	-178.4	178.4	0	109.4	F503 Y505 V522 E523 Y526	F503-K514 HydrophobicContact CB-CG 4.19Å; F503-K514 HydrophobicContact CD1-CD 4.26Å; F503-K514 VanDerWaalsContact CD1-CE 3.42Å; F503-K514 HydrophobicContact CD1-CG 3.92Å; F503-K514 VanDerWaalsContact CE2-CE 3.42Å; F503-K514 HydrophobicContact CG-CD 4.32Å; F503-K514 HydrophobicContact CG-CG 4.08Å; Y505-K514 HydrophobicContact CD1-CB 4.05Å; Y505-K514 HydrophobicContact CD1-CG 4.15Å; Y505-K514 HydrophobicContact CE1-CB 3.82Å; Y505-K514 HydrophobicContact CE1-CD 3.81Å; Y505-K514 HydrophobicContact CE1-CG 3.57Å; Y505-K514 WeakPolarHBondContact OH-CE 3.21Å; K514-V522 WeakPolarHBondContact O-CA 3.14Å; K514-E523 HydrophobicContact CG-CG 4.45Å; K514-E523 PolarHBondContact O-N 2.9Å; K514-Y526 HydrophobicContact CB-CD1 4.04Å; K514-Y526 HydrophobicContact CB-CD2 3.88Å; K514-Y526 HydrophobicContact CB-CE1 3.67Å; K514-Y526 HydrophobicContact CB-CE2 3.48Å; K514-Y526 VanDerWaalsContact CB-CE2 3.48Å; K514-Y526 HydrophobicContact CB-CG 4.14Å; K514-Y526 HydrophobicContact CD-CE2 3.95Å; K514-Y526 WeakPolarHBondContact CD-OH 3.38Å; K514-Y526 HydrophobicContact CG-CE2 4.3Å
515	F	94.9	Very high	92.4	Very high	1 Å²	1	57.4 Å²	57.4	0%	0.004	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	128.2	180	-174	-96.9	0	0	0	110.8	W450 W485 V488 F503 T504 F506 L520 V522	W450-F515 HydrophobicContact CH2-CE1 4.19Å; W450-F515 HydrophobicContact CZ2-CD1 4.49Å; W450-F515 HydrophobicContact CZ2-CE1 4.36Å; W485-F515 HydrophobicContact CB-CE2 4.19Å; W485-F515 HydrophobicContact CB-CZ 4.47Å; W485-F515 HydrophobicContact CD2-CZ 4.35Å; W485-F515 HydrophobicContact CE3-CD1 4.01Å; W485-F515 HydrophobicContact CE3-CD2 4.49Å; W485-F515 AromaticContact CE3-CE1 3.57Å; W485-F515 HydrophobicContact CE3-CE1 3.57Å; W485-F515 HydrophobicContact CE3-CE2 4.11Å; W485-F515 HydrophobicContact CE3-CG 4.43Å; W485-F515 AromaticContact CE3-CZ 3.6Å; W485-F515 HydrophobicContact CE3-CZ 3.6Å; W485-F515 HydrophobicContact CZ3-CD1 4.08Å; W485-F515 AromaticContact CZ3-CE1 3.74Å; W485-F515 HydrophobicContact CZ3-CE1 3.74Å; W485-F515 HydrophobicContact CZ3-CZ 4.24Å; V488-F515 HydrophobicContact CG2-CB 4.43Å; V488-F515 HydrophobicContact CG2-CD2 3.58Å; V488-F515 HydrophobicContact CG2-CE2 4.12Å; V488-F515 HydrophobicContact CG2-CG 4.25Å; F503-F515 CarbonylContact C-O 3.52Å; F503-F515 VanDerWaalsContact CA-O 3.3Å; F503-F515 WeakPolarHBondContact CA-O 3.49Å; T504-F515 PolarHBondContact N-O 3.13Å; T504-F515 WeakPolarHBondContact O-CA 3.41Å; T504-F515 VanDerWaalsContact O-CB 3.23Å; T504-F515 WeakPolarHBondContact O-CB 3.44Å; T504-F515 PolarHBondContact O-N 3.27Å; F506-F515 HydrophobicContact CD2-CB 3.95Å; F506-F515 HydrophobicContact CE2-CB 3.78Å; F506-F515 HydrophobicContact CE2-CD1 4.42Å; F506-F515 HydrophobicContact CE2-CG 4.06Å; F515-L520 HydrophobicContact CE1-CD2 4.02Å; F515-L520 HydrophobicContact CZ-CB 4.07Å; F515-L520 HydrophobicContact CZ-CD2 4.09Å; F515-V522 HydrophobicContact CB-CG2 4.49Å; F515-V522 HydrophobicContact CD2-CG2 4.02Å
516	N	90.9	Very high	92.3	Very high	19 Å²	19	58.6 Å²	58.6	10%	0.102	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	114.9	176.1	-173.1	-42.1	0	0	0	109.7	F503 Q518 L519 L520 R521 E523	F503-N516 HydrophobicContact CD1-CB 4.24Å; F503-N516 HydrophobicContact CE1-CB 4.11Å; N516-Q518 PolarHBondContact O-N 3.48Å; N516-Q518 PolarHBondContact OD1-N 3.37Å; N516-L519 HydrophobicContact CB-CB 4.17Å; N516-L519 PolarHBondContact OD1-N 2.91Å; N516-L520 WeakPolarHBondContact O-CA 3.3Å; N516-L520 PolarHBondContact O-N 3.26Å; N516-R521 WeakPolarHBondContact CB-O 3.3Å; N516-R521 PolarHBondContact N-O 2.99Å; N516-E523 HydrophobicContact CB-CG 4.4Å; N516-E523 WeakPolarHBondContact CB-OE1 3.48Å; N516-E523 PolarHBondContact ND2-OE1 3Å
517	N	89.2	Confident	92.2	Very high	28 Å²	28	61.3 Å²	61.3	15%	0.15	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-23.1	-174.1	-64.4	-10.9	0	0	0	112.6	W450 G502 T504 L520	W450-N517 HydrophobicContact CH2-CB 4.02Å; W450-N517 HydrophobicContact CZ2-CB 4.32Å; W450-N517 VanDerWaalsContact CZ2-OD1 3.27Å; W450-N517 WeakPolarHBondContact CZ2-OD1 3.12Å; G502-N517 WeakPolarHBondContact O-CB 3.36Å; G502-N517 PolarHBondContact O-N 2.86Å; T504-N517 WeakPolarHBondContact CB-OD1 3.19Å; T504-N517 PolarHBondContact N-OD1 3.2Å; T504-N517 PolarHBondContact OG1-ND2 3Å; T504-N517 PolarHBondContact OG1-OD1 3.05Å; N517-L520 WeakPolarHBondContact O-CD2 3.47Å
518	Q	85.9	Confident	92.1	Very high	174 Å²	174	66.5 Å²	66.5	81%	0.813	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-45.2	178.5	-62.5	-178.7	-9.3	0	0	111.9	N516 L520	N516-Q518 PolarHBondContact O-N 3.48Å; N516-Q518 PolarHBondContact OD1-N 3.37Å; Q518-L520 VanDerWaalsContact C-N 3.3Å
519	L	87.8	Confident	92	Very high	94 Å²	94	64.9 Å²	64.9	49%	0.492	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-9.5	-179.7	-60.7	-178.8	0	0	0	113.4	N516 R521	N516-L519 HydrophobicContact CB-CB 4.17Å; N516-L519 PolarHBondContact OD1-N 2.91Å; L519-R521 HydrophobicContact CB-CG 3.93Å; L519-R521 PolarHBondContact O-N 2.92Å
520	L	88.1	Confident	92.1	Very high	85 Å²	85	63.3 Å²	63.3	45%	0.445	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	42.2	-176.9	-61.1	176.4	0	0	0	113.2	W450 F515 N516 N517 Q518	W450-L520 HydrophobicContact CH2-CD2 4.38Å; F515-L520 HydrophobicContact CE1-CD2 4.02Å; F515-L520 HydrophobicContact CZ-CB 4.07Å; F515-L520 HydrophobicContact CZ-CD2 4.09Å; N516-L520 WeakPolarHBondContact O-CA 3.3Å; N516-L520 PolarHBondContact O-N 3.26Å; N517-L520 WeakPolarHBondContact O-CD2 3.47Å; Q518-L520 VanDerWaalsContact C-N 3.3Å
521	R	90.3	Very high	92.1	Very high	128 Å²	128	57.9 Å²	57.9	48%	0.483	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	154.8	177.5	68.7	-176.9	-176.1	-178.7	0.1	111.5	K486 N516 L519	K486-R521 HydrophobicContact CB-CB 4.04Å; K486-R521 CarbonylContact O-C 3.55Å; K486-R521 WeakPolarHBondContact O-CA 3.45Å; N516-R521 WeakPolarHBondContact CB-O 3.3Å; N516-R521 PolarHBondContact N-O 2.99Å; L519-R521 HydrophobicContact CB-CG 3.93Å; L519-R521 PolarHBondContact O-N 2.92Å
522	V	94.8	Very high	91.8	Very high	21 Å²	21	59 Å²	59	13%	0.127	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	138	169.3	175.5	0	0	0	0	110.4	K486 V488 W513 K514 F515 Y526	K486-V522 PolarHBondContact O-N 3.33Å; V488-V522 HydrophobicContact CG2-CG2 3.82Å; W513-V522 HydrophobicContact CB-CG1 4.11Å; W513-V522 HydrophobicContact CB-CG2 3.99Å; K514-V522 WeakPolarHBondContact O-CA 3.14Å; F515-V522 HydrophobicContact CB-CG2 4.49Å; F515-V522 HydrophobicContact CD2-CG2 4.02Å; V522-Y526 HydrophobicContact CG1-CG 4.43Å
523	E	95.2	Very high	91.4	Very high	51 Å²	51	60.5 Å²	60.5	24%	0.238	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-65.6	148.5	176.9	-73.6	-67.3	123.3	0	0	111.6	F503 K514 N516 Y526	F503-E523 HydrophobicContact CE1-CG 4.1Å; K514-E523 HydrophobicContact CG-CG 4.45Å; K514-E523 PolarHBondContact O-N 2.9Å; N516-E523 HydrophobicContact CB-CG 4.4Å; N516-E523 WeakPolarHBondContact CB-OE1 3.48Å; N516-E523 PolarHBondContact ND2-OE1 3Å; E523-Y526 HydrophobicContact CB-CD2 3.98Å; E523-Y526 HydrophobicContact CB-CE2 4.07Å; E523-Y526 WeakPolarHBondContact O-CD2 3.19Å
524	P	91.5	Very high	91	Very high	109 Å²	109	60.4 Å²	60.4	71%	0.708	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	145.3	172.4	-21.7	32.9	0	0	0	111.9
525	G	88.6	Confident	90.6	Very high	66 Å²	66	58.7 Å²	58.7	68%	0.68	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.1	9.5	179.5	0	0	0	0	0	115.4	R528	G525-R528 VanDerWaalsContact O-CG 3.29Å; G525-R528 WeakPolarHBondContact O-CG 3.01Å
526	Y	92.8	Very high	89.9	Confident	51 Å²	51	61 Å²	61	20%	0.2	33%	0.331	C	S	.	.			trans	-112.4	149	173.1	-70.5	-86.4	0	0	0	111.3	Y512 K514 V522 E523 R528	Y512-Y526 HydrophobicContact CD2-CD1 4.34Å; Y512-Y526 HydrophobicContact CD2-CE1 4.04Å; Y512-Y526 HydrophobicContact CE1-CE1 4.38Å; Y512-Y526 HydrophobicContact CE2-CD1 4.06Å; Y512-Y526 AromaticContact CE2-CE1 3.34Å; Y512-Y526 HydrophobicContact CE2-CE1 3.34Å; Y512-Y526 AromaticContact CZ-CE1 3.54Å; Y512-Y526 WeakPolarHBondContact O-CD1 3.33Å; K514-Y526 HydrophobicContact CB-CD1 4.04Å; K514-Y526 HydrophobicContact CB-CD2 3.88Å; K514-Y526 HydrophobicContact CB-CE1 3.67Å; K514-Y526 HydrophobicContact CB-CE2 3.48Å; K514-Y526 VanDerWaalsContact CB-CE2 3.48Å; K514-Y526 HydrophobicContact CB-CG 4.14Å; K514-Y526 HydrophobicContact CD-CE2 3.95Å; K514-Y526 WeakPolarHBondContact CD-OH 3.38Å; K514-Y526 HydrophobicContact CG-CE2 4.3Å; V522-Y526 HydrophobicContact CG1-CG 4.43Å; E523-Y526 HydrophobicContact CB-CD2 3.98Å; E523-Y526 HydrophobicContact CB-CE2 4.07Å; E523-Y526 WeakPolarHBondContact O-CD2 3.19Å; Y526-R528 HydrophobicContact CD1-CB 4.06Å; Y526-R528 HydrophobicContact CD1-CG 3.8Å; Y526-R528 HydrophobicContact CE1-CB 4.05Å; Y526-R528 HydrophobicContact CE1-CG 3.79Å; Y526-R528 HydrophobicContact CG-CG 4.46Å
527	P	94	Very high	89.5	Confident	57 Å²	57	61.2 Å²	61.2	37%	0.37	33%	0.333	S	S	.	.			cis	-73.9	153.2	10.6	25.8	-31.7	0	0	0	115.5	E511 Y512 W513	E511-P527 HydrophobicContact CB-CB 3.89Å; E511-P527 HydrophobicContact CG-CB 4.25Å; Y512-P527 VanDerWaalsContact O-CA 3.29Å; Y512-P527 WeakPolarHBondContact O-CA 3.27Å; W513-P527 HydrophobicContact CD2-CB 4.14Å; W513-P527 HydrophobicContact CH2-CB 4.25Å; W513-P527 HydrophobicContact CZ2-CB 3.71Å; W513-P527 HydrophobicContact CZ2-CG 3.94Å
528	R	93.2	Very high	88.8	Confident	108 Å²	108	66 Å²	66	41%	0.408	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	165.9	170.5	-67.1	-174.4	70.2	-143.3	-9.1	110.8	E511 Y512 G525 Y526 F530 D533	E511-R528 CarbonylContact C-O 3.59Å; E511-R528 VanDerWaalsContact CA-O 3.26Å; E511-R528 WeakPolarHBondContact CA-O 3.12Å; Y512-R528 HydrophobicContact CD1-CB 4.13Å; Y512-R528 WeakPolarHBondContact CD1-O 3.31Å; Y512-R528 HydrophobicContact CE1-CB 3.47Å; Y512-R528 VanDerWaalsContact CE1-CB 3.47Å; Y512-R528 PolarHBondContact N-O 2.94Å; Y512-R528 PolarHBondContact O-N 2.87Å; G525-R528 VanDerWaalsContact O-CG 3.29Å; G525-R528 WeakPolarHBondContact O-CG 3.01Å; Y526-R528 HydrophobicContact CD1-CB 4.06Å; Y526-R528 HydrophobicContact CD1-CG 3.8Å; Y526-R528 HydrophobicContact CE1-CB 4.05Å; Y526-R528 HydrophobicContact CE1-CG 3.79Å; Y526-R528 HydrophobicContact CG-CG 4.46Å; R528-F530 PolarHBondContact O-N 3.38Å; R528-D533 WeakPolarHBondContact CB-OD2 3.09Å; R528-D533 VanDerWaalsContact CZ-CG 3.5Å; R528-D533 IonicContact CZ-OD1 3.71Å; R528-D533 IonicContact CZ-OD2 2.79Å; R528-D533 IonicContact NE-OD2 3.88Å; R528-D533 PolarHBondContact NE-OD2 3.48Å; R528-D533 IonicContact NH1-OD1 3.27Å; R528-D533 IonicContact NH1-OD2 3.5Å; R528-D533 PolarHBondContact NH1-OD2 3.35Å; R528-D533 VanDerWaalsContact NH2-CG 3.26Å; R528-D533 IonicContact NH2-OD1 2.95Å; R528-D533 PolarHBondContact NH2-OD1 2.79Å; R528-D533 IonicContact NH2-OD2 3.99Å; R528-D533 PolarHBondContact NH2-OD2 3.4Å; R528-D533 VanDerWaalsContact NH2-OD2 3.08Å
529	S	92.4	Very high	87	Confident	41 Å²	41	69.3 Å²	69.3	29%	0.287	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	108.7	-176.4	172.9	0	0	0	0	111.4	V531 K532 D533	S529-V531 VanDerWaalsContact C-N 3.28Å; S529-V531 PolarHBondContact O-N 2.94Å; S529-K532 PolarHBondContact O-N 2.88Å; S529-K532 VanDerWaalsContact O-N 3.13Å; S529-K532 WeakPolarHBondContact OG-CG 3.4Å; S529-D533 PolarHBondContact O-N 3.41Å; S529-D533 VanDerWaalsContact O-N 3.09Å
530	F	91.7	Very high	84.5	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-59.9	-40.6	-177.5	-175.1	-100.1	0	0	0	112	F352 V355 M362 F496 Y507 K510 Y512 R528 K532 F534 M535	F352-F530 HydrophobicContact CD2-CD1 4.17Å; F352-F530 HydrophobicContact CD2-CE1 4.03Å; F352-F530 AromaticContact CE2-CD1 3.85Å; F352-F530 HydrophobicContact CE2-CD1 3.85Å; F352-F530 AromaticContact CE2-CE1 3.81Å; F352-F530 HydrophobicContact CE2-CE1 3.81Å; V355-F530 HydrophobicContact CB-CZ 4.46Å; V355-F530 HydrophobicContact CG1-CZ 3.9Å; V355-F530 HydrophobicContact CG2-CE1 4.09Å; V355-F530 HydrophobicContact CG2-CZ 4.1Å; M362-F530 HydrophobicContact CE-CZ 4.49Å; M362-F530 HydrophobicContact SD-CZ 4Å; F496-F530 HydrophobicContact CE1-CE2 4.02Å; F496-F530 HydrophobicContact CZ-CE2 4.28Å; Y507-F530 HydrophobicContact CD2-CB 3.96Å; Y507-F530 AromaticContact CD2-CD1 3.83Å; Y507-F530 HydrophobicContact CD2-CD1 3.83Å; Y507-F530 HydrophobicContact CD2-CD2 4Å; Y507-F530 HydrophobicContact CD2-CE1 4.36Å; Y507-F530 AromaticContact CD2-CG 3.63Å; Y507-F530 HydrophobicContact CD2-CG 3.63Å; Y507-F530 HydrophobicContact CE2-CB 4.1Å; Y507-F530 AromaticContact CE2-CD1 3.8Å; Y507-F530 HydrophobicContact CE2-CD1 3.8Å; Y507-F530 HydrophobicContact CE2-CE1 4.48Å; Y507-F530 AromaticContact CE2-CG 3.95Å; Y507-F530 HydrophobicContact CE2-CG 3.95Å; K510-F530 PolarHBondContact O-N 2.84Å; Y512-F530 HydrophobicContact CD1-CB 4.03Å; Y512-F530 HydrophobicContact CD1-CD2 4.19Å; Y512-F530 HydrophobicContact CG-CD2 4.1Å; R528-F530 PolarHBondContact O-N 3.38Å; F530-K532 VanDerWaalsContact C-N 3.29Å; F530-K532 PolarHBondContact O-N 3Å; F530-F534 HydrophobicContact CD2-CB 4.29Å; F530-F534 AromaticContact CD2-CD2 3.26Å; F530-F534 HydrophobicContact CD2-CD2 3.26Å; F530-F534 AromaticContact CD2-CE2 3.74Å; F530-F534 HydrophobicContact CD2-CE2 3.74Å; F530-F534 AromaticContact CD2-CG 4Å; F530-F534 HydrophobicContact CD2-CG 4Å; F530-F534 HydrophobicContact CE1-CB 4.35Å; F530-F534 HydrophobicContact CE2-CB 3.93Å; F530-F534 HydrophobicContact CE2-CD1 4.38Å; F530-F534 AromaticContact CE2-CD2 3.34Å; F530-F534 HydrophobicContact CE2-CD2 3.34Å; F530-F534 AromaticContact CE2-CE2 3.82Å; F530-F534 HydrophobicContact CE2-CE2 3.82Å; F530-F534 AromaticContact CE2-CG 3.64Å; F530-F534 HydrophobicContact CE2-CG 3.64Å; F530-F534 HydrophobicContact CG-CD2 4.1Å; F530-F534 HydrophobicContact CZ-CB 3.94Å; F530-F534 HydrophobicContact CZ-CD2 4.21Å; F530-F534 HydrophobicContact CZ-CG 4.13Å; F530-F534 WeakPolarHBondContact O-CB 3.36Å; F530-F534 PolarHBondContact O-N 2.95Å; F530-M535 HydrophobicContact CD1-CE 4.2Å; F530-M535 HydrophobicContact CE1-CE 3.31Å; F530-M535 HydrophobicContact CE1-CG 4.43Å; F530-M535 HydrophobicContact CE1-SD 4.17Å; F530-M535 HydrophobicContact CZ-CE 3.6Å
531	V	90.6	Very high	82.2	Confident	11 Å²	11	74.6 Å²	74.6	7%	0.067	40%	0.396	C	S	.	.	H	α-helix	trans	-67.9	-27.9	-178.9	176.5	0	0	0	0	112.8	C348 F352 S529 M535 C537	C348-V531 HydrophobicContact CB-CG1 4.19Å; F352-V531 HydrophobicContact CE2-CG2 4.43Å; S529-V531 VanDerWaalsContact C-N 3.28Å; S529-V531 PolarHBondContact O-N 2.94Å; V531-M535 HydrophobicContact CB-CG 4.44Å; V531-M535 HydrophobicContact CG1-CB 4.27Å; V531-M535 HydrophobicContact CG1-CG 4.47Å; V531-M535 HydrophobicContact CG2-CG 4.5Å; V531-M535 WeakPolarHBondContact O-CA 3.5Å; V531-M535 VanDerWaalsContact O-CB 3.27Å; V531-M535 WeakPolarHBondContact O-CB 3.39Å; V531-M535 PolarHBondContact O-N 3.03Å; V531-C537 HydrophobicContact CG1-CB 3.64Å; V531-C537 VanDerWaalsContact CG1-SG 3.52Å; V531-C537 WeakPolarHBondContact O-CB 3.5Å; V531-C537 PolarHBondContact O-N 3.44Å
532	K	87.6	Confident	79.4	Confident	116 Å²	116	79.6 Å²	79.6	50%	0.504	42%	0.415	S	S	.	.	H	α-helix	trans	-80.1	-51.5	177.5	-71.2	-177.9	-178.5	-174.6	0	110.4	S529 F530	S529-K532 PolarHBondContact O-N 2.88Å; S529-K532 VanDerWaalsContact O-N 3.13Å; S529-K532 WeakPolarHBondContact OG-CG 3.4Å; F530-K532 VanDerWaalsContact C-N 3.29Å; F530-K532 PolarHBondContact O-N 3Å
533	D	87.4	Confident	76.5	Confident	39 Å²	39	85.1 Å²	85.1	21%	0.209	44%	0.444	C	S	.	.	H	α-helix	trans	-78.4	-25.9	-171.2	-66.3	-38.3	0	0	0	113.6	N376 Y512 R528 S529	N376-D533 PolarHBondContact ND2-O 3.26Å; N376-D533 PolarHBondContact OD1-O 3Å; Y512-D533 HydrophobicContact CE1-CB 3.9Å; Y512-D533 WeakPolarHBondContact CE1-OD2 3.25Å; Y512-D533 PolarHBondContact OH-OD2 3.48Å; R528-D533 WeakPolarHBondContact CB-OD2 3.09Å; R528-D533 VanDerWaalsContact CZ-CG 3.5Å; R528-D533 IonicContact CZ-OD1 3.71Å; R528-D533 IonicContact CZ-OD2 2.79Å; R528-D533 IonicContact NE-OD2 3.88Å; R528-D533 PolarHBondContact NE-OD2 3.48Å; R528-D533 IonicContact NH1-OD1 3.27Å; R528-D533 IonicContact NH1-OD2 3.5Å; R528-D533 PolarHBondContact NH1-OD2 3.35Å; R528-D533 VanDerWaalsContact NH2-CG 3.26Å; R528-D533 IonicContact NH2-OD1 2.95Å; R528-D533 PolarHBondContact NH2-OD1 2.79Å; R528-D533 IonicContact NH2-OD2 3.99Å; R528-D533 PolarHBondContact NH2-OD2 3.4Å; R528-D533 VanDerWaalsContact NH2-OD2 3.08Å; S529-D533 PolarHBondContact O-N 3.41Å; S529-D533 VanDerWaalsContact O-N 3.09Å
534	F	88	Confident	74	Confident	26 Å²	26	89.1 Å²	89.1	11%	0.114	48%	0.475	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-23.5	-178.3	-67.3	-83.3	0	0	0	115.1	M362 M373 N376 F496 Y505 Y512 F530	M362-F534 HydrophobicContact CE-CD1 3.54Å; M362-F534 HydrophobicContact CE-CE1 3.92Å; M362-F534 HydrophobicContact CE-CG 4.27Å; M362-F534 HydrophobicContact SD-CB 4.38Å; M362-F534 HydrophobicContact SD-CD1 4.34Å; M373-F534 WeakPolarHBondContact CE-O 3.39Å; N376-F534 WeakPolarHBondContact CA-O 3.25Å; F496-F534 HydrophobicContact CE2-CE1 4.1Å; F496-F534 HydrophobicContact CE2-CZ 4.3Å; F496-F534 HydrophobicContact CZ-CD1 4.37Å; F496-F534 AromaticContact CZ-CE1 3.72Å; F496-F534 HydrophobicContact CZ-CE1 3.72Å; F496-F534 HydrophobicContact CZ-CE2 4.42Å; F496-F534 AromaticContact CZ-CZ 3.75Å; F496-F534 HydrophobicContact CZ-CZ 3.75Å; Y505-F534 HydrophobicContact CD1-CZ 4.04Å; Y505-F534 HydrophobicContact CE1-CZ 4.26Å; Y505-F534 HydrophobicContact CG-CZ 4.37Å; Y512-F534 HydrophobicContact CD1-CD2 4.26Å; Y512-F534 AromaticContact CD1-CE2 3.89Å; Y512-F534 HydrophobicContact CD1-CE2 3.89Å; Y512-F534 AromaticContact CD2-CE2 3.64Å; Y512-F534 HydrophobicContact CD2-CE2 3.64Å; Y512-F534 HydrophobicContact CD2-CZ 4.28Å; Y512-F534 HydrophobicContact CE1-CD2 4.17Å; Y512-F534 AromaticContact CE1-CE2 3.75Å; Y512-F534 HydrophobicContact CE1-CE2 3.75Å; Y512-F534 AromaticContact CE2-CE2 3.45Å; Y512-F534 HydrophobicContact CE2-CE2 3.45Å; Y512-F534 VanDerWaalsContact CE2-CE2 3.45Å; Y512-F534 AromaticContact CE2-CZ 3.95Å; Y512-F534 HydrophobicContact CE2-CZ 3.95Å; Y512-F534 AromaticContact CG-CE2 3.82Å; Y512-F534 HydrophobicContact CG-CE2 3.82Å; Y512-F534 AromaticContact CZ-CE2 3.5Å; F530-F534 HydrophobicContact CD2-CB 4.29Å; F530-F534 AromaticContact CD2-CD2 3.26Å; F530-F534 HydrophobicContact CD2-CD2 3.26Å; F530-F534 AromaticContact CD2-CE2 3.74Å; F530-F534 HydrophobicContact CD2-CE2 3.74Å; F530-F534 AromaticContact CD2-CG 4Å; F530-F534 HydrophobicContact CD2-CG 4Å; F530-F534 HydrophobicContact CE1-CB 4.35Å; F530-F534 HydrophobicContact CE2-CB 3.93Å; F530-F534 HydrophobicContact CE2-CD1 4.38Å; F530-F534 AromaticContact CE2-CD2 3.34Å; F530-F534 HydrophobicContact CE2-CD2 3.34Å; F530-F534 AromaticContact CE2-CE2 3.82Å; F530-F534 HydrophobicContact CE2-CE2 3.82Å; F530-F534 AromaticContact CE2-CG 3.64Å; F530-F534 HydrophobicContact CE2-CG 3.64Å; F530-F534 HydrophobicContact CG-CD2 4.1Å; F530-F534 HydrophobicContact CZ-CB 3.94Å; F530-F534 HydrophobicContact CZ-CD2 4.21Å; F530-F534 HydrophobicContact CZ-CG 4.13Å; F530-F534 WeakPolarHBondContact O-CB 3.36Å; F530-F534 PolarHBondContact O-N 2.95Å
535	M	88.4	Confident	71.6	Confident	8 Å²	8	87 Å²	87	4%	0.039	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	1.1	-177	-46.4	-73.2	109.9	0	0	113.7	I347 F352 M362 V364 M373 N376 F530 V531 C537	I347-M535 HydrophobicContact CD1-CB 4.39Å; I347-M535 HydrophobicContact CD1-CG 4.4Å; I347-M535 HydrophobicContact CD1-SD 3.49Å; I347-M535 WeakPolarHBondContact CD1-SD 3.5Å; I347-M535 HydrophobicContact CG1-CB 4.28Å; I347-M535 HydrophobicContact CG1-CG 4.19Å; I347-M535 HydrophobicContact CG1-SD 3.68Å; F352-M535 HydrophobicContact CE2-CG 4.27Å; F352-M535 HydrophobicContact CE2-SD 4.06Å; F352-M535 HydrophobicContact CZ-CG 4.21Å; F352-M535 HydrophobicContact CZ-SD 3.95Å; M362-M535 HydrophobicContact SD-CE 3.74Å; V364-M535 HydrophobicContact CG2-CE 3.83Å; V364-M535 HydrophobicContact CG2-SD 4.05Å; M373-M535 HydrophobicContact CE-CB 4.49Å; M373-M535 HydrophobicContact CE-CE 4.21Å; M373-M535 HydrophobicContact CE-SD 4Å; M373-M535 HydrophobicContact CG-CE 4.15Å; M373-M535 HydrophobicContact CG-SD 4.41Å; M373-M535 HydrophobicContact SD-SD 4.29Å; N376-M535 CarbonylContact O-C 3.58Å; F530-M535 HydrophobicContact CD1-CE 4.2Å; F530-M535 HydrophobicContact CE1-CE 3.31Å; F530-M535 HydrophobicContact CE1-CG 4.43Å; F530-M535 HydrophobicContact CE1-SD 4.17Å; F530-M535 HydrophobicContact CZ-CE 3.6Å; V531-M535 HydrophobicContact CB-CG 4.44Å; V531-M535 HydrophobicContact CG1-CB 4.27Å; V531-M535 HydrophobicContact CG1-CG 4.47Å; V531-M535 HydrophobicContact CG2-CG 4.5Å; V531-M535 WeakPolarHBondContact O-CA 3.5Å; V531-M535 VanDerWaalsContact O-CB 3.27Å; V531-M535 WeakPolarHBondContact O-CB 3.39Å; V531-M535 PolarHBondContact O-N 3.03Å; M535-C537 VanDerWaalsContact C-N 3.26Å; M535-C537 PolarHBondContact O-N 2.65Å
536	G	80.1	Confident	68.9	Low	49 Å²	49	95 Å²	95	51%	0.505	48%	0.482	S	S	.	.			trans	69.2	20.4	176.2	0	0	0	0	0	114.3	N376 D538	N376-G536 PolarHBondContact O-N 2.98Å; G536-D538 PolarHBondContact O-N 3.4Å
537	C	81.2	Confident	66.1	Low	24 Å²	24	101.5 Å²	101.5	16%	0.162	51%	0.514	C	S	.	.			trans	-90.7	70.2	-174.4	-59.2	0	0	0	0	112.1	C348 V531 M535	C348-C537 WeakPolarHBondContact CA-SG 3.44Å; C348-C537 HydrophobicContact CB-CB 3.81Å; C348-C537 WeakPolarHBondContact CB-SG 3.41Å; C348-C537 WeakPolarHBondContact SG-CB 3.42Å; C348-C537 CovalentContact SG-SG 2.04Å; C348-C537 PolarHBondContact SG-SG 3.21Å; V531-C537 HydrophobicContact CG1-CB 3.64Å; V531-C537 VanDerWaalsContact CG1-SG 3.52Å; V531-C537 WeakPolarHBondContact O-CB 3.5Å; V531-C537 PolarHBondContact O-N 3.44Å; M535-C537 VanDerWaalsContact C-N 3.26Å; M535-C537 PolarHBondContact O-N 2.65Å
538	D	75.6	Confident	63.3	Low	128 Å²	128	104.2 Å²	104.2	68%	0.684	53%	0.532	S	S	*	.			trans	-99.9	128	167.9	-80	-33.6	0	0	0	111.2	G536	G536-D538 PolarHBondContact O-N 3.4Å
539	R	47.8	Very low	60.4	Low	243 Å²	243	103.8 Å²	103.8	92%	0.917	55%	0.552	S	S	*	*			trans	-84.2	124.5	-177.5	-77.9	-176.7	172.4	173.4	-2.1	111.6
540	M	36.3	Very low	57.8	Low	168 Å²	168	109 Å²	109	83%	0.828	58%	0.576	S	S	*	*			trans	103.4	126.3	153.6	-59.9	-56.6	-135.6	0	0	118.7	R542	M540-R542 PolarHBondContact O-N 2.82Å
541	P	38.6	Very low	55.1	Low	122 Å²	122	116.8 Å²	116.8	79%	0.792	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-59.8	131.2	154.6	-9.1	24	0	0	0	108.7	D543	P541-D543 PolarHBondContact O-N 3Å
542	R	31.4	Very low	52.4	Low	234 Å²	234	119.2 Å²	119.2	88%	0.883	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-59.6	127.4	164.7	-83.9	176.9	168.7	158.5	-4.7	108.5	M540	M540-R542 PolarHBondContact O-N 2.82Å
543	D	34	Very low	49.8	Very low	137 Å²	137	120.7 Å²	120.7	73%	0.733	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-48.6	132.1	164.3	-160.5	0.2	0	0	0	109.6	P541 G545	P541-D543 PolarHBondContact O-N 3Å; D543-G545 PolarHBondContact O-N 2.99Å
544	P	42.4	Very low	47.2	Very low	135 Å²	135	124 Å²	124	88%	0.877	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	28.9	-178.4	-14.6	29.4	0	0	0	114.7
545	G	42	Very low	44.5	Very low	65 Å²	65	130 Å²	130	67%	0.67	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.6	16.3	-165.1	0	0	0	0	0	116.2	D543	D543-G545 PolarHBondContact O-N 2.99Å
546	R	32.3	Very low	41.9	Very low	232 Å²	232	135.4 Å²	135.4	88%	0.875	75%	0.751	S	S	*	*			trans	-137.1	103.3	176.4	-152.4	169.8	-173.7	179.9	0.8	112.2
547	Q	32.6	Very low	39.6	Very low	188 Å²	188	139.1 Å²	139.1	88%	0.879	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-58.6	129.6	168.2	-75.6	172	-34.2	0	0	109.9
548	P	34.7	Very low	37.5	Very low	114 Å²	114	144.5 Å²	144.5	74%	0.74	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-76.8	136.1	160.6	-6.9	24.8	0	0	0	109.1
549	A	33.3	Very low	35.5	Very low	99 Å²	99	146.5 Å²	146.5	82%	0.818	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-59.6	143.8	170.9	0	0	0	0	0	111.1
550	D	37.8	Very low	35	Very low	150 Å²	150	142.7 Å²	142.7	80%	0.802	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-47.5	126.6	164	-172.3	25.6	0	0	0	111
551	D	34.7	Very low	35.1	Very low	165 Å²	165	141.7 Å²	141.7	88%	0.882	79%	0.79	S	S	*	*			trans	-150.7	113	149.6	-117.5	-10.9	0	0	0	107.6
552	G	35.2	Very low	35.4	Very low	61 Å²	61	142.3 Å²	142.3	63%	0.629	79%	0.786	S	S	*	*			trans	-79.3	172.3	-171.8	0	0	0	0	0	114.7
553	N	31.8	Very low	36	Very low	147 Å²	147	138.7 Å²	138.7	79%	0.786	78%	0.78	S	S	*	*			trans	87.9	97.8	152.1	-155.2	30.5	0	0	0	118.3
554	S	33.7	Very low	36.4	Very low	109 Å²	109	135.7 Å²	135.7	76%	0.762	77%	0.773	S	S	*	*				-160.3	101.5	127.2	55.9	0	0	0	0	109.6	V556	S554-V556 PolarHBondContact O-N 3.49Å
555	D	29.8	Very low	36.8	Very low	151 Å²	151	132.7 Å²	132.7	81%	0.807	76%	0.756	S	S	*	*			trans	-61.9	123.9	162.9	-74.9	-38.2	0	0	0	109.9
556	V	35.7	Very low	37.1	Very low	123 Å²	123	133.4 Å²	133.4	75%	0.745	75%	0.747	S	S	*	*			trans	-129	103.7	156.4	179.8	0	0	0	0	107.2	S554 I558	S554-V556 PolarHBondContact O-N 3.49Å; V556-I558 HydrophobicContact CG1-CG1 4.28Å; V556-I558 PolarHBondContact O-N 3.49Å
557	V	31.9	Very low	38.1	Very low	127 Å²	127	127.3 Å²	127.3	77%	0.77	74%	0.735	S	S	*	*			trans	-66	122.4	168.8	176.1	0	0	0	0	108.2
558	I	35.7	Very low	38.9	Very low	136 Å²	136	125.7 Å²	125.7	70%	0.697	73%	0.726	S	S	*	*			trans	-120.3	106.3	159.9	-58.4	179.9	0	0	0	106.3	V556	V556-I558 HydrophobicContact CG1-CG1 4.28Å; V556-I558 PolarHBondContact O-N 3.49Å
559	E	34.7	Very low	39.9	Very low	170 Å²	170	122.9 Å²	122.9	79%	0.794	71%	0.712	S	S	*	*			trans	-57	130	164.1	-92.6	176	138.5	0	0	109.5
560	L	37.7	Very low	40.9	Very low	164 Å²	164	123 Å²	123	86%	0.859	70%	0.698	S	S	*	*			trans	-113	108.9	166.7	-83.4	160	0	0	0	107.8
561	D	37.4	Very low	42.1	Very low	147 Å²	147	119.1 Å²	119.1	79%	0.786	69%	0.686	S	S	*	*			trans	-56.5	130.8	175.8	-78.4	-43.1	0	0	0	112.1	E563	D561-E563 PolarHBondContact O-N 3.23Å
562	N	44.2	Very low	43.6	Very low	134 Å²	134	116.6 Å²	116.6	72%	0.717	67%	0.672	S	S	*	*			trans	-90.7	68.8	-178.7	-166.6	15.5	0	0	0	110.8
563	E	44	Very low	45.4	Very low	159 Å²	159	117.8 Å²	117.8	74%	0.743	67%	0.667	S	S	*	*			trans	-101	17	175.9	-75.5	-146.4	149.2	0	0	114.3	D561	D561-E563 PolarHBondContact O-N 3.23Å
564	A	43.2	Very low	47.5	Very low	73 Å²	73	115.5 Å²	115.5	60%	0.603	65%	0.653	S	S	*	*	S	Bend	trans	-96.8	-5.6	-177.4	0	0	0	0	0	115
565	S	51.5	Low	49.6	Very low	72 Å²	72	113.7 Å²	113.7	50%	0.503	64%	0.639	S	S	.	*	S	Bend	trans	-98.6	-30.9	-174.7	70.2	0	0	0	0	114.2
566	T	48.1	Very low	51.8	Low	81 Å²	81	110 Å²	110	50%	0.497	62%	0.624	S	S	.	*	H	α-helix	trans	-75.3	-36.8	-176.2	45	0	0	0	0	112.6	K568 A569 I570	T566-K568 VanDerWaalsContact C-N 3.3Å; T566-K568 PolarHBondContact O-N 3.3Å; T566-A569 PolarHBondContact O-N 3.37Å; T566-I570 WeakPolarHBondContact O-CG1 3.41Å; T566-I570 PolarHBondContact O-N 3.44Å
567	V	53.7	Low	54.1	Low	103 Å²	103	107.7 Å²	107.7	62%	0.624	61%	0.61	S	S	*	*	H	α-helix	trans	-67.2	-31.2	179.5	-172	0	0	0	0	112	A571	V567-A571 PolarHBondContact O-N 3.27Å
568	K	49	Very low	56.6	Low	154 Å²	154	106.6 Å²	106.6	67%	0.67	60%	0.599	S	S	*	*	H	α-helix	trans	-73.7	-31.4	177.1	-73.7	-176.4	178.7	175.3	0	113.4	T566 I572	T566-K568 VanDerWaalsContact C-N 3.3Å; T566-K568 PolarHBondContact O-N 3.3Å; K568-I572 WeakPolarHBondContact O-CG1 3.28Å
569	A	54.7	Low	58.8	Low	55 Å²	55	102.5 Å²	102.5	46%	0.455	59%	0.586	S	S	.	*	H	α-helix	trans	-71.6	-42.2	176.1	0	0	0	0	0	111.3	T566 A571 I572 V573	T566-A569 PolarHBondContact O-N 3.37Å; A569-A571 VanDerWaalsContact C-N 3.34Å; A569-A571 PolarHBondContact O-N 3.26Å; A569-I572 PolarHBondContact O-N 3.1Å; A569-V573 VanDerWaalsContact O-CG2 3.28Å; A569-V573 WeakPolarHBondContact O-CG2 3.49Å; A569-V573 PolarHBondContact O-N 3.27Å; A569-V573 VanDerWaalsContact O-N 3.1Å
570	I	55.3	Low	61.3	Low	103 Å²	103	99.8 Å²	99.8	53%	0.528	58%	0.577	S	S	.	*	H	α-helix	trans	-65.4	-38.2	-179.5	-63.6	169.1	0	0	0	111.3	T566 I572 I574	T566-I570 WeakPolarHBondContact O-CG1 3.41Å; T566-I570 PolarHBondContact O-N 3.44Å; I570-I572 PolarHBondContact O-N 3.35Å; I570-I574 HydrophobicContact CG2-CD1 3.61Å; I570-I574 HydrophobicContact CG2-CG1 4.36Å; I570-I574 WeakPolarHBondContact O-CG1 3.48Å; I570-I574 PolarHBondContact O-N 3.26Å
571	A	62.9	Low	63.5	Low	67 Å²	67	95.5 Å²	95.5	55%	0.554	56%	0.559	S	S	*	*	H	α-helix	trans	-65.7	-21.1	178.8	0	0	0	0	0	114.4	V567 A569 P575	V567-A571 PolarHBondContact O-N 3.27Å; A569-A571 VanDerWaalsContact C-N 3.34Å; A569-A571 PolarHBondContact O-N 3.26Å; A571-P575 WeakPolarHBondContact O-CD 3.16Å; A571-P575 VanDerWaalsContact O-CG 3.23Å; A571-P575 WeakPolarHBondContact O-CG 3.41Å
572	I	66.1	Low	65.8	Low	112 Å²	112	93.8 Å²	93.8	57%	0.574	55%	0.55	S	S	*	.	H	α-helix	trans	-98.4	-38	-179.7	-62.1	171.3	0	0	0	111.1	K568 A569 I570 P575 C576	K568-I572 WeakPolarHBondContact O-CG1 3.28Å; A569-I572 PolarHBondContact O-N 3.1Å; I570-I572 PolarHBondContact O-N 3.35Å; I572-P575 WeakPolarHBondContact O-CD 3.23Å; I572-C576 PolarHBondContact O-N 3.34Å; I572-C576 PolarHBondContact O-SG 3.26Å
573	V	72.1	Confident	67.8	Low	86 Å²	86	93 Å²	93	52%	0.521	55%	0.545	S	S	.	.	H	α-helix	trans	-69.5	-41.4	-175.8	174.6	0	0	0	0	111.6	A569 C576 V577	A569-V573 VanDerWaalsContact O-CG2 3.28Å; A569-V573 WeakPolarHBondContact O-CG2 3.49Å; A569-V573 PolarHBondContact O-N 3.27Å; A569-V573 VanDerWaalsContact O-N 3.1Å; V573-C576 PolarHBondContact O-N 2.96Å; V573-V577 HydrophobicContact CG1-CG2 4.12Å; V573-V577 VanDerWaalsContact O-CG2 3.3Å; V573-V577 WeakPolarHBondContact O-CG2 3.3Å; V573-V577 PolarHBondContact O-N 3.31Å
574	I	75.9	Confident	69.8	Low	99 Å²	99	89.7 Å²	89.7	51%	0.508	54%	0.535	S	S	.	.	H	α-helix	trans	-62.5	-49.6	-177.7	-64.3	172.6	0	0	0	112	I570 C576 V577 L578	I570-I574 HydrophobicContact CG2-CD1 3.61Å; I570-I574 HydrophobicContact CG2-CG1 4.36Å; I570-I574 WeakPolarHBondContact O-CG1 3.48Å; I570-I574 PolarHBondContact O-N 3.26Å; I574-C576 VanDerWaalsContact C-N 3.33Å; I574-C576 PolarHBondContact O-N 3.01Å; I574-V577 PolarHBondContact O-N 3.39Å; I574-L578 HydrophobicContact CG2-CD1 3.98Å; I574-L578 HydrophobicContact CG2-CG 4.49Å; I574-L578 WeakPolarHBondContact O-CG 3.36Å; I574-L578 PolarHBondContact O-N 3.35Å
575	P	79	Confident	71.8	Confident	72 Å²	72	91.3 Å²	91.3	47%	0.468	53%	0.533	S	S	.	.	H	α-helix	trans	-60.7	-39	175.5	-23.3	32.5	0	0	0	113.4	A571 I572 L578 A579	A571-P575 WeakPolarHBondContact O-CD 3.16Å; A571-P575 VanDerWaalsContact O-CG 3.23Å; A571-P575 WeakPolarHBondContact O-CG 3.41Å; I572-P575 WeakPolarHBondContact O-CD 3.23Å; P575-L578 PolarHBondContact O-N 3.4Å; P575-A579 WeakPolarHBondContact O-CB 3.38Å; P575-A579 PolarHBondContact O-N 3.25Å
576	C	75.5	Confident	73.3	Confident	72 Å²	72	92.1 Å²	92.1	49%	0.486	54%	0.535	S	S	.	.	H	α-helix	trans	-66.1	-40	179.3	-71.9	0	0	0	0	112.3	I572 V573 I574 A579 L580	I572-C576 PolarHBondContact O-N 3.34Å; I572-C576 PolarHBondContact O-SG 3.26Å; V573-C576 PolarHBondContact O-N 2.96Å; I574-C576 VanDerWaalsContact C-N 3.33Å; I574-C576 PolarHBondContact O-N 3.01Å; C576-A579 PolarHBondContact O-N 3.49Å; C576-L580 PolarHBondContact O-N 2.98Å
577	V	83.7	Confident	75	Confident	76 Å²	76	95.1 Å²	95.1	46%	0.461	54%	0.538	S	S	.	.	H	α-helix	trans	-66.8	-43.2	175.5	173.5	0	0	0	0	110.7	V573 I574 A579 L580 C581	V573-V577 HydrophobicContact CG1-CG2 4.12Å; V573-V577 VanDerWaalsContact O-CG2 3.3Å; V573-V577 WeakPolarHBondContact O-CG2 3.3Å; V573-V577 PolarHBondContact O-N 3.31Å; I574-V577 PolarHBondContact O-N 3.39Å; V577-A579 PolarHBondContact O-N 2.91Å; V577-L580 PolarHBondContact O-N 2.99Å; V577-C581 PolarHBondContact O-N 3.25Å; V577-C581 PolarHBondContact O-SG 3.43Å; V577-C581 VanDerWaalsContact O-SG 3.35Å
578	L	83.6	Confident	76.3	Confident	103 Å²	103	92.8 Å²	92.8	54%	0.539	52%	0.524	S	S	.	.	H	α-helix	trans	-62.7	-40.5	176.7	-71.9	172.7	0	0	0	112.4	I574 P575 C581 L582	I574-L578 HydrophobicContact CG2-CD1 3.98Å; I574-L578 HydrophobicContact CG2-CG 4.49Å; I574-L578 WeakPolarHBondContact O-CG 3.36Å; I574-L578 PolarHBondContact O-N 3.35Å; P575-L578 PolarHBondContact O-N 3.4Å; L578-C581 PolarHBondContact O-N 3.35Å; L578-L582 PolarHBondContact O-N 3.06Å
579	A	83.4	Confident	77.8	Confident	51 Å²	51	89 Å²	89	42%	0.421	51%	0.514	S	S	.	.	H	α-helix	trans	-63.5	-41.5	175.3	0	0	0	0	0	111.9	P575 C576 V577 L582 L583	P575-A579 WeakPolarHBondContact O-CB 3.38Å; P575-A579 PolarHBondContact O-N 3.25Å; C576-A579 PolarHBondContact O-N 3.49Å; V577-A579 PolarHBondContact O-N 2.91Å; A579-L582 PolarHBondContact O-N 3.45Å; A579-L583 WeakPolarHBondContact O-CG 3.37Å; A579-L583 PolarHBondContact O-N 3.36Å
580	L	86.5	Confident	78.9	Confident	113 Å²	113	89.5 Å²	89.5	59%	0.592	51%	0.511	S	S	*	.	H	α-helix	trans	-63.3	-43.4	174.2	-83	165.6	0	0	0	112	C576 V577 L582 L583 V584	C576-L580 PolarHBondContact O-N 2.98Å; V577-L580 PolarHBondContact O-N 2.99Å; L580-L582 VanDerWaalsContact C-N 3.33Å; L580-L582 PolarHBondContact O-N 2.94Å; L580-L583 PolarHBondContact O-N 3.21Å; L580-V584 WeakPolarHBondContact O-CG2 3.5Å; L580-V584 PolarHBondContact O-N 3.33Å
581	C	84	Confident	79.8	Confident	73 Å²	73	87.4 Å²	87.4	49%	0.493	50%	0.499	S	S	.	.	H	α-helix	trans	-60.2	-42.6	175.7	-70.6	0	0	0	0	111.9	V577 L578 V584 L585	V577-C581 PolarHBondContact O-N 3.25Å; V577-C581 PolarHBondContact O-SG 3.43Å; V577-C581 VanDerWaalsContact O-SG 3.35Å; L578-C581 PolarHBondContact O-N 3.35Å; C581-V584 PolarHBondContact O-N 2.93Å; C581-L585 WeakPolarHBondContact O-CB 3.38Å; C581-L585 PolarHBondContact O-N 3.34Å
582	L	85.9	Confident	80.2	Confident	112 Å²	112	91.9 Å²	91.9	59%	0.586	51%	0.506	S	S	*	.	H	α-helix	trans	-63.3	-42.1	175.6	-85.1	164.9	0	0	0	112.2	L578 A579 L580 V584 L585 V586	L578-L582 PolarHBondContact O-N 3.06Å; A579-L582 PolarHBondContact O-N 3.45Å; L580-L582 VanDerWaalsContact C-N 3.33Å; L580-L582 PolarHBondContact O-N 2.94Å; L582-V584 VanDerWaalsContact C-N 3.34Å; L582-V584 PolarHBondContact O-N 3.47Å; L582-L585 WeakPolarHBondContact O-CB 3.49Å; L582-L585 PolarHBondContact O-N 2.86Å; L582-V586 WeakPolarHBondContact O-CG2 3.34Å; L582-V586 PolarHBondContact O-N 3.35Å
583	L	85.1	Confident	80.1	Confident	117 Å²	117	95 Å²	95	61%	0.613	52%	0.516	S	S	*	.	H	α-helix	trans	-63.2	-39.8	176.6	-73.5	173.1	0	0	0	112.1	A579 L580 V586 Y587	A579-L583 WeakPolarHBondContact O-CG 3.37Å; A579-L583 PolarHBondContact O-N 3.36Å; L580-L583 PolarHBondContact O-N 3.21Å; L583-V586 PolarHBondContact O-N 3.12Å; L583-Y587 VanDerWaalsContact O-CB 3.27Å; L583-Y587 WeakPolarHBondContact O-CB 3.27Å; L583-Y587 PolarHBondContact O-N 2.85Å
584	V	85.9	Confident	79.7	Confident	90 Å²	90	100.5 Å²	100.5	55%	0.545	53%	0.527	S	S	.	.	H	α-helix	trans	-65.4	-39.9	174	173.9	0	0	0	0	111	L580 C581 L582 Y587 T588	L580-V584 WeakPolarHBondContact O-CG2 3.5Å; L580-V584 PolarHBondContact O-N 3.33Å; C581-V584 PolarHBondContact O-N 2.93Å; L582-V584 VanDerWaalsContact C-N 3.34Å; L582-V584 PolarHBondContact O-N 3.47Å; V584-Y587 PolarHBondContact O-N 2.98Å; V584-T588 HydrophobicContact CG1-CG2 4.44Å; V584-T588 WeakPolarHBondContact O-CG2 3.34Å; V584-T588 PolarHBondContact O-N 2.86Å; V584-T588 PolarHBondContact O-OG1 3.47Å; V584-T588 VanDerWaalsContact O-OG1 3.12Å
585	L	86	Confident	78.8	Confident	106 Å²	106	103 Å²	103	56%	0.555	53%	0.534	S	S	*	.	H	α-helix	trans	-64.3	-45.5	176.6	-123.1	161.9	0	0	0	111.6	C581 L582 Y587 T588 V589	C581-L585 WeakPolarHBondContact O-CB 3.38Å; C581-L585 PolarHBondContact O-N 3.34Å; L582-L585 WeakPolarHBondContact O-CB 3.49Å; L582-L585 PolarHBondContact O-N 2.86Å; L585-Y587 VanDerWaalsContact C-N 3.33Å; L585-Y587 PolarHBondContact O-N 3.33Å; L585-T588 WeakPolarHBondContact CA-OG1 3.27Å; L585-T588 PolarHBondContact O-N 3.46Å; L585-T588 PolarHBondContact O-OG1 3.36Å; L585-V589 HydrophobicContact CD2-CG2 4.38Å; L585-V589 VanDerWaalsContact O-CG2 3.3Å; L585-V589 WeakPolarHBondContact O-CG2 3.46Å; L585-V589 PolarHBondContact O-N 3.48Å
586	V	82.9	Confident	77.6	Confident	89 Å²	89	102.5 Å²	102.5	54%	0.539	54%	0.542	S	S	.	.	H	α-helix	trans	-62.4	-43.2	174.9	173	0	0	0	0	110.5	L582 L583 T588 V589 V590	L582-V586 WeakPolarHBondContact O-CG2 3.34Å; L582-V586 PolarHBondContact O-N 3.35Å; L583-V586 PolarHBondContact O-N 3.12Å; V586-T588 PolarHBondContact O-N 2.9Å; V586-V589 PolarHBondContact O-N 2.95Å; V586-V590 HydrophobicContact CG1-CG2 4.39Å; V586-V590 WeakPolarHBondContact O-CB 3.3Å; V586-V590 VanDerWaalsContact O-CG2 3.27Å; V586-V590 WeakPolarHBondContact O-CG2 3.46Å; V586-V590 PolarHBondContact O-N 2.84Å
587	Y	83.8	Confident	76.5	Confident	145 Å²	145	105.1 Å²	105.1	57%	0.569	56%	0.556	S	S	*	*	H	α-helix	trans	-61	-44.5	176.8	-179.7	-95.3	0	0	0	112.3	L583 V584 L585 V590 Q591	L583-Y587 VanDerWaalsContact O-CB 3.27Å; L583-Y587 WeakPolarHBondContact O-CB 3.27Å; L583-Y587 PolarHBondContact O-N 2.85Å; V584-Y587 PolarHBondContact O-N 2.98Å; L585-Y587 VanDerWaalsContact C-N 3.33Å; L585-Y587 PolarHBondContact O-N 3.33Å; Y587-V590 PolarHBondContact O-N 3Å; Y587-Q591 HydrophobicContact CD1-CG 4.12Å; Y587-Q591 HydrophobicContact CE1-CG 3.68Å; Y587-Q591 HydrophobicContact CE2-CG 4.37Å; Y587-Q591 WeakPolarHBondContact O-CB 3.39Å; Y587-Q591 WeakPolarHBondContact O-CG 3.43Å; Y587-Q591 PolarHBondContact O-N 3.34Å; Y587-Q591 PolarHBondContact OH-NE2 3.18Å
588	T	80.9	Confident	74.9	Confident	54 Å²	54	107 Å²	107	33%	0.331	57%	0.569	S	S	.	*	H	α-helix	trans	-65.5	-42.9	177.6	53.2	0	0	0	0	111.3	V584 L585 V586 V590 Q591 F592	V584-T588 HydrophobicContact CG1-CG2 4.44Å; V584-T588 WeakPolarHBondContact O-CG2 3.34Å; V584-T588 PolarHBondContact O-N 2.86Å; V584-T588 PolarHBondContact O-OG1 3.47Å; V584-T588 VanDerWaalsContact O-OG1 3.12Å; L585-T588 WeakPolarHBondContact CA-OG1 3.27Å; L585-T588 PolarHBondContact O-N 3.46Å; L585-T588 PolarHBondContact O-OG1 3.36Å; V586-T588 PolarHBondContact O-N 2.9Å; T588-V590 VanDerWaalsContact C-N 3.33Å; T588-V590 PolarHBondContact O-N 2.88Å; T588-Q591 PolarHBondContact O-N 3.32Å; T588-F592 WeakPolarHBondContact O-CB 3.36Å; T588-F592 VanDerWaalsContact O-CD2 3.26Å; T588-F592 WeakPolarHBondContact O-CD2 3.47Å; T588-F592 PolarHBondContact O-N 2.82Å
589	V	80.4	Confident	73.4	Confident	74 Å²	74	113.6 Å²	113.6	45%	0.448	59%	0.587	S	S	.	*	H	α-helix	trans	-61.1	-40.8	174.9	171.6	0	0	0	0	111.6	L585 V586 F592 K593	L585-V589 HydrophobicContact CD2-CG2 4.38Å; L585-V589 VanDerWaalsContact O-CG2 3.3Å; L585-V589 WeakPolarHBondContact O-CG2 3.46Å; L585-V589 PolarHBondContact O-N 3.48Å; V586-V589 PolarHBondContact O-N 2.95Å; V589-F592 PolarHBondContact O-N 2.82Å; V589-K593 PolarHBondContact O-N 3.29Å
590	V	77.8	Confident	71.9	Confident	65 Å²	65	119.4 Å²	119.4	39%	0.394	61%	0.605	S	S	.	*	H	α-helix	trans	-66.3	-39.7	175.5	170.3	0	0	0	0	111.2	V586 Y587 T588 K593 R594	V586-V590 HydrophobicContact CG1-CG2 4.39Å; V586-V590 WeakPolarHBondContact O-CB 3.3Å; V586-V590 VanDerWaalsContact O-CG2 3.27Å; V586-V590 WeakPolarHBondContact O-CG2 3.46Å; V586-V590 PolarHBondContact O-N 2.84Å; Y587-V590 PolarHBondContact O-N 3Å; T588-V590 VanDerWaalsContact C-N 3.33Å; T588-V590 PolarHBondContact O-N 2.88Å; V590-K593 PolarHBondContact O-N 2.89Å; V590-R594 WeakPolarHBondContact O-CB 3.5Å; V590-R594 WeakPolarHBondContact O-CG 3.26Å; V590-R594 PolarHBondContact O-N 3.42Å
591	Q	75.1	Confident	70.2	Confident	60 Å²	60	122 Å²	122	28%	0.28	62%	0.618	S	S	.	*	H	α-helix	trans	-66.3	-39.4	174.8	-75.7	-69.2	-1.2	0	0	112.2	Y587 T588 K593 R594 K595	Y587-Q591 HydrophobicContact CD1-CG 4.12Å; Y587-Q591 HydrophobicContact CE1-CG 3.68Å; Y587-Q591 HydrophobicContact CE2-CG 4.37Å; Y587-Q591 WeakPolarHBondContact O-CB 3.39Å; Y587-Q591 WeakPolarHBondContact O-CG 3.43Å; Y587-Q591 PolarHBondContact O-N 3.34Å; Y587-Q591 PolarHBondContact OH-NE2 3.18Å; T588-Q591 PolarHBondContact O-N 3.32Å; Q591-K593 VanDerWaalsContact C-N 3.34Å; Q591-R594 PolarHBondContact O-N 2.88Å; Q591-K595 WeakPolarHBondContact O-CB 3.5Å; Q591-K595 PolarHBondContact O-N 3.39Å
592	F	69.9	Low	68.6	Low	160 Å²	160	126.4 Å²	126.4	70%	0.702	64%	0.636	S	S	*	*	H	α-helix	trans	-69.6	-28.5	173.8	-87.1	-72.8	0	0	0	112.9	T588 V589	T588-F592 WeakPolarHBondContact O-CB 3.36Å; T588-F592 VanDerWaalsContact O-CD2 3.26Å; T588-F592 WeakPolarHBondContact O-CD2 3.47Å; T588-F592 PolarHBondContact O-N 2.82Å; V589-F592 PolarHBondContact O-N 2.82Å
593	K	64.7	Low	66.8	Low	178 Å²	178	132 Å²	132	77%	0.774	65%	0.65	S	S	*	*	H	α-helix	trans	-75.9	-31.5	169.9	-82.6	-168.5	173.4	-175.4	0	113	V589 V590 Q591	V589-K593 PolarHBondContact O-N 3.29Å; V590-K593 PolarHBondContact O-N 2.89Å; Q591-K593 VanDerWaalsContact C-N 3.34Å
594	R	64.1	Low	65.2	Low	202 Å²	202	132.3 Å²	132.3	76%	0.762	66%	0.661	S	S	*	*	H	α-helix	trans	-80.3	-31.2	177.3	-80.9	-175.8	171.5	-173.5	-1.6	113.1	V590 Q591 G596	V590-R594 WeakPolarHBondContact O-CB 3.5Å; V590-R594 WeakPolarHBondContact O-CG 3.26Å; V590-R594 PolarHBondContact O-N 3.42Å; Q591-R594 PolarHBondContact O-N 2.88Å; R594-G596 PolarHBondContact O-N 3.35Å
595	K	56.5	Low	63.1	Low	152 Å²	152	138.1 Å²	138.1	66%	0.661	68%	0.679	S	S	*	*	S	Bend	trans	-88.8	89.5	168.4	-66.8	-176.1	-179.6	-177.1	0	107.8	Q591	Q591-K595 WeakPolarHBondContact O-CB 3.5Å; Q591-K595 PolarHBondContact O-N 3.39Å
596	G	53.7	Low	61.3	Low	60 Å²	60	145 Å²	145	62%	0.619	70%	0.698	S	S	*	*			trans	-44	144.5	173.1	0	0	0	0	0	111.7	R594	R594-G596 PolarHBondContact O-N 3.35Å
597	T	53.1	Low	59.7	Low	128 Å²	128	146.1 Å²	146.1	79%	0.785	71%	0.71	S	S	*	*			trans	-27.9	120.7	179.7	37.9	0	0	0	0	113	R599	T597-R599 PolarHBondContact O-N 3.09Å; T597-R599 VanDerWaalsContact O-N 3.09Å
598	P	50	Low	57.8	Low	114 Å²	114	148.1 Å²	148.1	74%	0.74	73%	0.726	S	S	*	*			trans	-54.7	120.7	167.9	-19.9	30.1	0	0	0	108.5	H600	P598-H600 PolarHBondContact O-N 2.78Å
599	R	51.6	Low	56.3	Low	242 Å²	242	155 Å²	155	91%	0.913	76%	0.755	S	S	*	*	S	Bend	trans	-65.1	75.4	170.1	-76.4	179.6	167.2	167	-4	109.1	T597	T597-R599 PolarHBondContact O-N 3.09Å; T597-R599 VanDerWaalsContact O-N 3.09Å
600	H	52.6	Low	54.7	Low	174 Å²	174	159.5 Å²	159.5	81%	0.806	77%	0.771	S	S	*	*			trans	-159.4	22.5	167.8	-129.7	-82.6	0	0	0	116.2	P598	P598-H600 PolarHBondContact O-N 2.78Å
601	I	50.8	Low	53	Low	166 Å²	166	168.2 Å²	168.2	85%	0.851	80%	0.797	S	S	*	*			trans	-132.4	54.3	161.9	-62.9	151.7	0	0	0	109
602	L	49.4	Very low	51.2	Low	167 Å²	167	175.7 Å²	175.7	87%	0.874	85%	0.846	S	S	*	*	S	Bend	trans	-112	19.5	168.3	-116	157.6	0	0	0	111.3
603	Y	48.5	Very low	50.3	Low	229 Å²	229	176.5 Å²	176.5	90%	0.898	85%	0.853	S	S	*	*	S	Bend	trans	-138.4	56.1	-176.1	-133.8	-85.1	0	0	0	111.5
604	C	51	Low	49.6	Very low	124 Å²	124	176.4 Å²	176.4	84%	0.838	86%	0.857	S	S	*	*	S	Bend	trans	-164	43	162.3	-103.8	0	0	0	0	112.1
605	K	42.8	Very low	48.8	Very low	212 Å²	212	174.9 Å²	174.9	92%	0.922	86%	0.862	S	S	*	*	S	Bend	trans	-144.3	39.7	166.5	-121.6	-174.2	-175.8	-173.7	0	112.9
606	R	48	Very low	48.3	Very low	250 Å²	250	176.3 Å²	176.3	94%	0.943	87%	0.874	S	S	*	*	S	Bend	trans	-139.9	53.4	166.9	-151.1	-179.5	-167.8	-175.9	2.9	109.7
607	S	49.3	Very low	48	Very low	113 Å²	113	183.6 Å²	183.6	79%	0.79	89%	0.89	S	S	*	*	S	Bend	trans	-174.1	65.6	167.4	-167.4	0	0	0	0	109.6
608	M	43.8	Very low	47.6	Very low	187 Å²	187	187.3 Å²	187.3	92%	0.921	90%	0.897	S	S	*	*			trans	-161.1	50.1	159.8	-88.3	-144.1	-61.6	0	0	108
609	Q	49.3	Very low	47.4	Very low	199 Å²	199	192.5 Å²	192.5	93%	0.93	91%	0.909	S	S	*	*	S	Bend	trans	-127.1	24.9	167.4	-144.3	170.9	-5	0	0	110
610	E	46.2	Very low	47.1	Very low	167 Å²	167	188.7 Å²	188.7	78%	0.78	91%	0.908	S	S	*	*	S	Bend	trans	-128.5	133.8	159	-72.1	-177	163.5	0	0	104.8
611	W	42.3	Very low	46.7	Very low	249 Å²	249	189.9 Å²	189.9	94%	0.943	92%	0.917	S	S	*	*			trans	99.9	94.2	-169.9	-61	91.3	0	0	0	115.5
612	V	38.7	Very low	46.3	Very low	216 Å²	216	192.1 Å²	192.1	100%	1.309	92%	0.923	S	S	*	*			trans	91	0	170.8	-164.5	0	0	0	0	116.3

Retrieved 612 of 612 residues in 1005.2 ms (Link to these results)

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