A0A087XIH6_POEFO Loading...

Stromal cell-derived factor 2-like 1

AlphaFold DB , UniProt , Accession A0A087XIH6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 218 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	56	Low	50.3	Low	216 Å²	216	163 Å²	163	100%	1.064	73%	0.732	S	S	*	*				0	28.9	0	-99.3	177.2	-84.3	0	0	112.8
2	E	53.4	Low	50.7	Low	166 Å²	166	160.5 Å²	160.5	78%	0.776	73%	0.729	S	S	*	*			trans	-123.5	-10.6	-174.3	-67.2	-170.4	150.9	0	0	115.1
3	R	50.9	Low	50.9	Low	229 Å²	229	157 Å²	157	86%	0.864	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-6.7	179.2	-70.8	-174.2	-177.4	-128.3	1.2	114.9
4	L	49.7	Very low	51.2	Low	138 Å²	138	153.7 Å²	153.7	72%	0.723	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-14.3	-176.2	-79.2	154.5	0	0	0	113.8
5	W	50	Low	51.5	Low	186 Å²	186	147.7 Å²	147.7	71%	0.705	69%	0.69	S	S	*	*	S	Bend	trans	-87.8	-32.9	-176.6	-64	95.5	0	0	0	113.3	R8	W5-R8 PolarHBondContact O-N 3.5Å
6	L	47.7	Very low	51.7	Low	135 Å²	135	145.2 Å²	145.2	71%	0.707	68%	0.682	S	S	*	*	H	α-helix	trans	-71.3	-30.7	-178.3	-79.6	154.3	0	0	0	113.5	R8	L6-R8 VanDerWaalsContact C-N 3.32Å; L6-R8 PolarHBondContact O-N 3.48Å
7	V	50.4	Low	51.8	Low	83 Å²	83	143.2 Å²	143.2	50%	0.503	68%	0.676	S	S	.	*	H	α-helix	trans	-75.4	-23	-178.7	-171.5	0	0	0	0	112	L11	V7-L11 HydrophobicContact CG1-CD1 4.42Å; V7-L11 WeakPolarHBondContact O-CD1 3.37Å
8	R	51	Low	52	Low	180 Å²	180	141.1 Å²	141.1	68%	0.679	67%	0.669	S	S	*	*	H	α-helix	trans	-77.1	-25.6	-178.8	-87.3	-175.7	160	-166.1	-5.1	114.2	W5 L6	W5-R8 PolarHBondContact O-N 3.5Å; L6-R8 VanDerWaalsContact C-N 3.32Å; L6-R8 PolarHBondContact O-N 3.48Å
9	W	44.6	Very low	52.1	Low	206 Å²	206	139.9 Å²	139.9	78%	0.78	67%	0.667	S	S	*	*	H	α-helix	trans	-83.7	-28.6	178.6	-83.9	43.3	0	0	0	113	L11 L12	W9-L11 VanDerWaalsContact C-N 3.3Å; W9-L11 PolarHBondContact O-N 3.46Å; W9-L12 PolarHBondContact O-N 3.48Å
10	Q	48.3	Very low	52.1	Low	135 Å²	135	138.7 Å²	138.7	63%	0.631	66%	0.664	S	S	*	*	H	α-helix	trans	-68.6	-29	174.3	-72.6	178.9	-25.7	0	0	112.6	L14	Q10-L14 WeakPolarHBondContact O-CD1 3.47Å
11	L	51.9	Low	52.1	Low	119 Å²	119	138.5 Å²	138.5	62%	0.623	67%	0.666	S	S	*	*	H	α-helix	trans	-79.3	-15.6	-179.8	-72	165.4	0	0	0	114.3	V7 W9 P15	V7-L11 HydrophobicContact CG1-CD1 4.42Å; V7-L11 WeakPolarHBondContact O-CD1 3.37Å; W9-L11 VanDerWaalsContact C-N 3.3Å; W9-L11 PolarHBondContact O-N 3.46Å; L11-P15 VanDerWaalsContact O-CD 3.25Å; L11-P15 WeakPolarHBondContact O-CD 3.49Å
12	L	54.1	Low	51.9	Low	133 Å²	133	132.5 Å²	132.5	70%	0.696	65%	0.645	S	S	*	*	H	α-helix	trans	-95.8	-19.1	178.1	-78.5	162	0	0	0	113.4	W9	W9-L12 PolarHBondContact O-N 3.48Å
13	L	53.6	Low	51.7	Low	115 Å²	115	131 Å²	131	60%	0.602	64%	0.642	S	S	*	*	H	α-helix	trans	-86.6	-28	176.8	-77.5	160.7	0	0	0	113	L16 L17	L13-L16 PolarHBondContact O-N 3.04Å; L13-L17 PolarHBondContact O-N 3.41Å; L13-L17 VanDerWaalsContact O-N 3.12Å
14	L	55.7	Low	51.8	Low	111 Å²	111	125.5 Å²	125.5	58%	0.581	64%	0.638	S	S	*	*	H	α-helix	trans	-62.7	-44.4	177.4	-108	98.3	0	0	0	114.4	Q10 L16 L17 L18	Q10-L14 WeakPolarHBondContact O-CD1 3.47Å; L14-L16 VanDerWaalsContact C-N 3.31Å; L14-L16 PolarHBondContact O-N 3.44Å; L14-L17 PolarHBondContact O-N 3.12Å; L14-L18 WeakPolarHBondContact O-CB 3.25Å; L14-L18 WeakPolarHBondContact O-CD1 3.5Å; L14-L18 PolarHBondContact O-N 3.49Å
15	P	54.8	Low	51.6	Low	64 Å²	64	128.4 Å²	128.4	42%	0.416	65%	0.647	S	S	.	*	H	α-helix	trans	-67.5	-33.7	180	-15.2	28.2	0	0	0	111.9	L11 L18 L19	L11-P15 VanDerWaalsContact O-CD 3.25Å; L11-P15 WeakPolarHBondContact O-CD 3.49Å; P15-L18 PolarHBondContact O-N 3.08Å; P15-L19 WeakPolarHBondContact O-CB 3.5Å; P15-L19 WeakPolarHBondContact O-CD1 3.31Å; P15-L19 WeakPolarHBondContact O-CG 3.34Å; P15-L19 PolarHBondContact O-N 2.94Å
16	L	54.4	Low	51.3	Low	107 Å²	107	122.1 Å²	122.1	56%	0.56	64%	0.64	S	S	*	*	H	α-helix	trans	-72.1	-35.4	179.5	-157.7	75.7	0	0	0	111.7	L13 L14 L20	L13-L16 PolarHBondContact O-N 3.04Å; L14-L16 VanDerWaalsContact C-N 3.31Å; L14-L16 PolarHBondContact O-N 3.44Å; L16-L20 WeakPolarHBondContact O-CD1 3.32Å; L16-L20 VanDerWaalsContact O-CG 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.37Å; L16-L20 PolarHBondContact O-N 2.86Å; L16-L20 VanDerWaalsContact O-N 3.08Å
17	L	54.3	Low	51.2	Low	111 Å²	111	127.5 Å²	127.5	58%	0.581	65%	0.651	S	S	*	*	H	α-helix	trans	-71	-35.9	173.2	-167	70.5	0	0	0	112.1	L13 L14 L20 L21	L13-L17 PolarHBondContact O-N 3.41Å; L13-L17 VanDerWaalsContact O-N 3.12Å; L14-L17 PolarHBondContact O-N 3.12Å; L17-L20 PolarHBondContact O-N 3.2Å; L17-L21 WeakPolarHBondContact O-CG 3.4Å; L17-L21 PolarHBondContact O-N 3.42Å
18	L	55	Low	51	Low	106 Å²	106	130.5 Å²	130.5	56%	0.555	66%	0.66	S	S	*	*	H	α-helix	trans	-69.3	-34	173.2	-81.6	156.6	0	0	0	112.8	L14 P15 L21 S22	L14-L18 WeakPolarHBondContact O-CB 3.25Å; L14-L18 WeakPolarHBondContact O-CD1 3.5Å; L14-L18 PolarHBondContact O-N 3.49Å; P15-L18 PolarHBondContact O-N 3.08Å; L18-L21 PolarHBondContact O-N 3.46Å; L18-S22 PolarHBondContact O-N 3.45Å; L18-S22 PolarHBondContact O-OG 3.06Å
19	L	54.2	Low	51	Low	119 Å²	119	126.2 Å²	126.2	62%	0.623	66%	0.657	S	S	*	*	H	α-helix	trans	-71.5	-32.3	173.4	-79.7	158.5	0	0	0	112.3	P15 S22	P15-L19 WeakPolarHBondContact O-CB 3.5Å; P15-L19 WeakPolarHBondContact O-CD1 3.31Å; P15-L19 WeakPolarHBondContact O-CG 3.34Å; P15-L19 PolarHBondContact O-N 2.94Å; L19-S22 WeakPolarHBondContact O-CB 3.49Å; L19-S22 PolarHBondContact O-N 3.22Å
20	L	51.8	Low	51.7	Low	115 Å²	115	121.9 Å²	121.9	60%	0.602	65%	0.646	S	S	*	*	H	α-helix	trans	-75.8	-25.1	173.4	-72.8	165.4	0	0	0	113.3	L16 L17 S22	L16-L20 WeakPolarHBondContact O-CD1 3.32Å; L16-L20 VanDerWaalsContact O-CG 3.31Å; L16-L20 WeakPolarHBondContact O-CG 3.37Å; L16-L20 PolarHBondContact O-N 2.86Å; L16-L20 VanDerWaalsContact O-N 3.08Å; L17-L20 PolarHBondContact O-N 3.2Å; L20-S22 VanDerWaalsContact C-N 3.31Å
21	L	51.3	Low	52.7	Low	135 Å²	135	118.7 Å²	118.7	71%	0.707	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-10	169.6	-71.7	166.5	0	0	0	113.2	L17 L18 N23	L17-L21 WeakPolarHBondContact O-CG 3.4Å; L17-L21 PolarHBondContact O-N 3.42Å; L18-L21 PolarHBondContact O-N 3.46Å; L21-N23 PolarHBondContact O-N 3.35Å
22	S	53	Low	54.4	Low	89 Å²	89	116 Å²	116	62%	0.622	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	9.6	176	-60.9	0	0	0	0	113	L18 L19 L20 C24	L18-S22 PolarHBondContact O-N 3.45Å; L18-S22 PolarHBondContact O-OG 3.06Å; L19-S22 WeakPolarHBondContact O-CB 3.49Å; L19-S22 PolarHBondContact O-N 3.22Å; L20-S22 VanDerWaalsContact C-N 3.31Å; S22-C24 PolarHBondContact O-N 3.33Å
23	N	50	Low	56.3	Low	134 Å²	134	113.3 Å²	113.3	72%	0.717	60%	0.6	S	S	*	*			trans	-77	109.4	174.9	-92.8	2.5	0	0	0	111.2	L21	L21-N23 PolarHBondContact O-N 3.35Å
24	C	51.7	Low	58.4	Low	115 Å²	115	107.9 Å²	107.9	78%	0.777	57%	0.571	S	S	*	*			trans	72.8	67.9	148.5	-125.5	0	0	0	0	115.9	S22 G26	S22-C24 PolarHBondContact O-N 3.33Å; C24-G26 PolarHBondContact O-N 2.93Å
25	E	46.8	Very low	60.3	Low	199 Å²	199	102.6 Å²	102.6	93%	0.93	54%	0.544	S	S	*	.			trans	-66.9	82	133.4	-79.8	176.9	140	0	0	106.6	R27	E25-R27 PolarHBondContact O-N 2.97Å
26	G	42.6	Very low	62.4	Low	54 Å²	54	99.9 Å²	99.9	56%	0.557	53%	0.526	S	S	*	.			trans	-51.8	113.2	161.5	0	0	0	0	0	105.9	C24 E28	C24-G26 PolarHBondContact O-N 2.93Å; G26-E28 PolarHBondContact O-N 2.75Å
27	R	45.9	Very low	64.4	Low	247 Å²	247	95.5 Å²	95.5	93%	0.932	51%	0.507	S	S	*	.			trans	-74.1	62.8	172.7	-160.3	177.6	-171.8	172.3	2.5	107.6	E25 S29	E25-R27 PolarHBondContact O-N 2.97Å; R27-S29 PolarHBondContact O-N 2.87Å
28	E	46.3	Very low	66.5	Low	147 Å²	147	90.2 Å²	90.2	69%	0.687	48%	0.479	S	S	*	.			trans	-71.6	87.7	162.2	-140.8	173.1	-159.8	0	0	104.4	G26 E30	G26-E28 PolarHBondContact O-N 2.75Å; E28-E30 HydrophobicContact CB-CG 4.19Å; E28-E30 HydrophobicContact CG-CG 3.59Å; E28-E30 PolarHBondContact O-N 2.83Å
29	S	50	Low	68.5	Low	89 Å²	89	87.3 Å²	87.3	62%	0.622	46%	0.464	S	S	*	.			trans	-65.5	72.5	151.4	163.3	0	0	0	0	105.5	R27 L31	R27-S29 PolarHBondContact O-N 2.87Å; S29-L31 VanDerWaalsContact C-N 3.25Å; S29-L31 PolarHBondContact O-N 2.8Å
30	E	61	Low	70.6	Confident	115 Å²	115	81.7 Å²	81.7	54%	0.537	44%	0.435	S	S	.	.			trans	-58.4	100.7	165.3	-81.2	-152.5	126.5	0	0	105.2	E28 N32	E28-E30 HydrophobicContact CB-CG 4.19Å; E28-E30 HydrophobicContact CG-CG 3.59Å; E28-E30 PolarHBondContact O-N 2.83Å; E30-N32 VanDerWaalsContact C-N 3.25Å; E30-N32 PolarHBondContact O-N 2.95Å
31	L	68.1	Low	72.8	Confident	69 Å²	69	76.3 Å²	76.3	36%	0.361	41%	0.406	S	S	.	.			trans	-67.2	96.9	169.8	-70	169.8	0	0	0	105.7	S29 Y33 R154 P208	S29-L31 VanDerWaalsContact C-N 3.25Å; S29-L31 PolarHBondContact O-N 2.8Å; L31-Y33 HydrophobicContact CB-CD2 4.27Å; L31-Y33 HydrophobicContact CD2-CD2 4.22Å; L31-Y33 HydrophobicContact CD2-CE2 4.2Å; L31-Y33 PolarHBondContact O-N 3.01Å; L31-R154 PolarHBondContact O-NH2 2.82Å; L31-P208 HydrophobicContact CD1-CG 3.47Å; L31-P208 VanDerWaalsContact CD1-CG 3.47Å
32	N	88.4	Confident	75.1	Confident	62 Å²	62	69.9 Å²	69.9	33%	0.332	37%	0.373	S	S	.	.			trans	-72.5	30.9	179.1	-73.6	-14.1	0	0	0	112.9	E30 D153 R154	E30-N32 VanDerWaalsContact C-N 3.25Å; E30-N32 PolarHBondContact O-N 2.95Å; N32-D153 CarbonylContact O-C 3.6Å; N32-D153 WeakPolarHBondContact O-CA 3.31Å; N32-R154 WeakPolarHBondContact O-CG 3.39Å; N32-R154 PolarHBondContact O-N 3.18Å
33	Y	94.1	Very high	77.2	Confident	77 Å²	77	66.1 Å²	66.1	30%	0.302	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-108.2	149.7	-179.6	-52.4	-60.9	0	0	0	111.2	L31 Y151 W152 D153 R154	L31-Y33 HydrophobicContact CB-CD2 4.27Å; L31-Y33 HydrophobicContact CD2-CD2 4.22Å; L31-Y33 HydrophobicContact CD2-CE2 4.2Å; L31-Y33 PolarHBondContact O-N 3.01Å; Y33-Y151 VanDerWaalsContact CD1-CB 3.46Å; Y33-Y151 HydrophobicContact CD1-CG 4.45Å; Y33-Y151 HydrophobicContact CD2-CD2 4.45Å; Y33-Y151 HydrophobicContact CE1-CD2 4.45Å; Y33-Y151 HydrophobicContact CE2-CD2 4.22Å; Y33-Y151 HydrophobicContact CG-CG 4.42Å; Y33-W152 CarbonylContact C-O 3.55Å; Y33-W152 VanDerWaalsContact CA-O 3.27Å; Y33-W152 WeakPolarHBondContact CA-O 3.45Å; Y33-D153 HydrophobicContact CD1-CB 4.42Å; Y33-R154 PolarHBondContact O-NE 2.94Å; Y33-R154 PolarHBondContact O-NH2 2.95Å
34	V	96.6	Very high	79.6	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.312	C	S	.	.			trans	-71	130.1	166.6	-175.7	0	0	0	0	108.4	I82 I96 W152 R154 T200 F205	V34-I82 HydrophobicContact CG1-CG1 4.06Å; V34-I96 PolarHBondContact O-N 3.18Å; V34-W152 HydrophobicContact CB-CB 4.37Å; V34-W152 HydrophobicContact CB-CD2 3.76Å; V34-W152 HydrophobicContact CB-CE3 3.81Å; V34-W152 HydrophobicContact CB-CG 4.02Å; V34-W152 HydrophobicContact CB-CZ3 4.37Å; V34-W152 HydrophobicContact CG1-CD2 4.2Å; V34-W152 HydrophobicContact CG1-CE3 3.81Å; V34-W152 HydrophobicContact CG1-CH2 4.35Å; V34-W152 HydrophobicContact CG1-CZ3 3.89Å; V34-W152 HydrophobicContact CG2-CD2 3.63Å; V34-W152 HydrophobicContact CG2-CE3 4.13Å; V34-W152 HydrophobicContact CG2-CG 3.82Å; V34-W152 HydrophobicContact CG2-CZ2 4.24Å; V34-W152 PolarHBondContact N-O 2.78Å; V34-R154 HydrophobicContact CG2-CG 4.05Å; V34-T200 HydrophobicContact CG2-CG2 3.71Å; V34-F205 HydrophobicContact CG2-CE1 4.28Å
35	T	96.8	Very high	81.7	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.006	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-113.7	152	-179.5	63	0	0	0	0	111.9	G37 S38 G93 S94 I206	T35-G37 PolarHBondContact O-N 2.86Å; T35-S38 WeakPolarHBondContact O-CB 3.43Å; T35-S38 PolarHBondContact O-N 3.46Å; T35-S38 PolarHBondContact O-OG 3.39Å; T35-S38 PolarHBondContact OG1-OG 2.69Å; T35-G93 WeakPolarHBondContact CB-O 3.22Å; T35-G93 WeakPolarHBondContact CG2-O 3.41Å; T35-S94 CarbonylContact C-O 3.5Å; T35-S94 WeakPolarHBondContact CA-O 3.41Å; T35-S94 WeakPolarHBondContact CB-O 3.32Å; T35-I206 WeakPolarHBondContact CB-O 3.2Å; T35-I206 WeakPolarHBondContact CG2-O 3.43Å; T35-I206 PolarHBondContact OG1-N 3.49Å; T35-I206 PolarHBondContact OG1-O 2.52Å
36	C	97.4	Very high	84.2	Confident	6 Å²	6	54.1 Å²	54.1	4%	0.041	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	130.9	175.2	-175.3	0	0	0	0	111.6	S38 C90 Q91 R92 G93 S94 I96	C36-S38 VanDerWaalsContact C-N 3.34Å; C36-C90 HydrophobicContact CB-CB 3.7Å; C36-C90 WeakPolarHBondContact CB-SG 3.46Å; C36-C90 WeakPolarHBondContact SG-CB 3.2Å; C36-C90 PolarHBondContact SG-O 2.75Å; C36-C90 CovalentContact SG-SG 2.02Å; C36-C90 PolarHBondContact SG-SG 3.13Å; C36-Q91 VanDerWaalsContact CB-O 3.3Å; C36-Q91 WeakPolarHBondContact CB-O 3.34Å; C36-R92 WeakPolarHBondContact O-CA 3.4Å; C36-G93 PolarHBondContact O-N 3.05Å; C36-S94 PolarHBondContact N-O 2.85Å; C36-I96 HydrophobicContact CB-CD1 3.95Å
37	G	96.9	Very high	86.8	Confident	15 Å²	15	52.9 Å²	52.9	16%	0.155	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	-8.8	-176.1	0	0	0	0	0	114.5	T35 I82 I206	T35-G37 PolarHBondContact O-N 2.86Å; G37-I82 VanDerWaalsContact CA-O 3.32Å; G37-I82 WeakPolarHBondContact CA-O 3.31Å; G37-I82 PolarHBondContact N-O 2.92Å; G37-I206 VanDerWaalsContact O-CD1 3.24Å; G37-I206 WeakPolarHBondContact O-CD1 3.1Å
38	S	97.6	Very high	89.2	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.233	C	C	.	.			trans	-60.8	146	176.9	-63	0	0	0	0	111.4	T35 C36 Q81 I82 V204 F205 I206	T35-S38 WeakPolarHBondContact O-CB 3.43Å; T35-S38 PolarHBondContact O-N 3.46Å; T35-S38 PolarHBondContact O-OG 3.39Å; T35-S38 PolarHBondContact OG1-OG 2.69Å; C36-S38 VanDerWaalsContact C-N 3.34Å; S38-Q81 WeakPolarHBondContact O-CA 3.44Å; S38-I82 PolarHBondContact O-N 2.93Å; S38-V204 WeakPolarHBondContact CA-O 3.23Å; S38-V204 WeakPolarHBondContact CB-O 3.22Å; S38-F205 WeakPolarHBondContact OG-CA 3.28Å; S38-I206 PolarHBondContact OG-N 2.72Å; S38-I206 VanDerWaalsContact OG-N 3.13Å
39	L	97.9	Very high	91.7	Very high	46 Å²	46	39.1 Å²	39.1	24%	0.241	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	121.6	171.1	-69.9	173.8	0	0	0	108.4	Y79 W80 Q81 M107 G203 V204	L39-Y79 HydrophobicContact CB-CD1 4.43Å; L39-W80 WeakPolarHBondContact CA-O 3.27Å; L39-Q81 HydrophobicContact CD2-CB 3.63Å; L39-Q81 HydrophobicContact CD2-CG 4Å; L39-M107 HydrophobicContact CD1-CG 4.44Å; L39-M107 HydrophobicContact CD2-CB 4.17Å; L39-M107 HydrophobicContact CD2-CG 3.9Å; L39-G203 CarbonylContact O-C 3.59Å; L39-G203 WeakPolarHBondContact O-CA 3.37Å; L39-V204 PolarHBondContact N-O 2.93Å; L39-V204 PolarHBondContact O-N 2.87Å
40	V	98.1	Very high	94	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	152.3	-175	-59	0	0	0	0	110.9	L42 W80 I82 T200 F205	V40-L42 HydrophobicContact CG2-CD2 4.12Å; V40-L42 HydrophobicContact CG2-CG 4.31Å; V40-W80 PolarHBondContact N-O 3.34Å; V40-W80 PolarHBondContact O-N 2.86Å; V40-I82 HydrophobicContact CG2-CD1 3.87Å; V40-I82 HydrophobicContact CG2-CG1 3.94Å; V40-T200 HydrophobicContact CB-CG2 4.11Å; V40-T200 HydrophobicContact CG1-CG2 4.17Å; V40-T200 HydrophobicContact CG2-CG2 4.15Å; V40-F205 HydrophobicContact CG1-CD1 4.28Å; V40-F205 HydrophobicContact CG1-CE1 3.59Å; V40-F205 HydrophobicContact CG1-CZ 4.04Å
41	K	98.6	Very high	95.8	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.009	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	138.9	158.9	-56.3	-163.6	-172.5	-167.7	0	108.8	A73 D74 D75 S78 Y79 M201 E202	K41-A73 PolarHBondContact NZ-O 3.06Å; K41-D74 VanDerWaalsContact NZ-C 3.34Å; K41-D74 PolarHBondContact NZ-O 3.38Å; K41-D75 PolarHBondContact NZ-O 2.79Å; K41-S78 WeakPolarHBondContact CG-O 3.34Å; K41-Y79 HydrophobicContact CD-CE1 4.5Å; K41-Y79 HydrophobicContact CG-CD1 4.01Å; K41-Y79 HydrophobicContact CG-CE1 3.97Å; K41-M201 PolarHBondContact O-N 2.87Å; K41-E202 HydrophobicContact CD-CB 4.1Å; K41-E202 HydrophobicContact CG-CB 4.22Å; K41-E202 WeakPolarHBondContact CG-O 3.12Å; K41-E202 PolarHBondContact N-O 3.5Å
42	L	98.7	Very high	97.3	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	112.7	178.2	-65.4	172.9	0	0	0	108.9	V40 R50 L51 I104 W152 F160 W198 T200	V40-L42 HydrophobicContact CG2-CD2 4.12Å; V40-L42 HydrophobicContact CG2-CG 4.31Å; L42-R50 CarbonylContact O-C 3.5Å; L42-R50 VanDerWaalsContact O-CA 3.28Å; L42-R50 WeakPolarHBondContact O-CA 3.26Å; L42-L51 HydrophobicContact CB-CB 4.05Å; L42-L51 HydrophobicContact CD1-CD2 3.91Å; L42-L51 PolarHBondContact O-N 3.23Å; L42-I104 HydrophobicContact CD1-CD1 4.32Å; L42-I104 HydrophobicContact CD1-CG2 4.13Å; L42-W152 HydrophobicContact CD2-CH2 4.11Å; L42-W152 HydrophobicContact CD2-CZ2 3.94Å; L42-F160 HydrophobicContact CD1-CE2 3.87Å; L42-F160 HydrophobicContact CD1-CZ 4.04Å; L42-F160 HydrophobicContact CD2-CE2 4.05Å; L42-F160 HydrophobicContact CD2-CZ 3.85Å; L42-W198 HydrophobicContact CB-CE3 3.97Å; L42-W198 WeakPolarHBondContact O-CZ3 3.02Å; L42-T200 HydrophobicContact CD2-CG2 3.87Å
43	L	98.7	Very high	97.8	Very high	11 Å²	11	24.1 Å²	24.1	6%	0.058	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	123.4	180	179.1	72.3	0	0	0	110.3	T45 R50 W198 R199 M201	L43-T45 PolarHBondContact O-N 3.29Å; L43-R50 HydrophobicContact CD1-CG 4.09Å; L43-W198 CarbonylContact O-C 3.57Å; L43-W198 VanDerWaalsContact O-CA 3.23Å; L43-W198 WeakPolarHBondContact O-CA 3.31Å; L43-R199 PolarHBondContact N-O 3.41Å; L43-R199 PolarHBondContact O-N 2.84Å; L43-M201 HydrophobicContact CB-CB 4.46Å; L43-M201 HydrophobicContact CB-CG 3.42Å; L43-M201 VanDerWaalsContact CB-CG 3.42Å; L43-M201 HydrophobicContact CD2-CG 3.8Å; L43-M201 HydrophobicContact CD2-SD 4.05Å; L43-M201 HydrophobicContact CG-CG 4.22Å
44	N	98.6	Very high	98	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	117.1	167.5	-173.1	-85.1	0	0	0	109.3	R46 H47 N48 V49 I171 H195 W198	N44-R46 VanDerWaalsContact C-N 3.27Å; N44-R46 PolarHBondContact O-N 2.84Å; N44-R46 PolarHBondContact OD1-N 2.65Å; N44-H47 PolarHBondContact OD1-CD2 2.92Å; N44-H47 PolarHBondContact OD1-N 2.85Å; N44-N48 WeakPolarHBondContact O-CA 3.41Å; N44-N48 PolarHBondContact O-N 3.46Å; N44-V49 HydrophobicContact CB-CG2 4.21Å; N44-V49 PolarHBondContact N-O 3.01Å; N44-I171 HydrophobicContact CB-CD1 4.01Å; N44-H195 PolarHBondContact ND2-O 2.86Å; N44-W198 HydrophobicContact CB-CD2 4.33Å; N44-W198 HydrophobicContact CB-CE3 3.92Å; N44-W198 HydrophobicContact CB-CH2 3.99Å; N44-W198 HydrophobicContact CB-CZ2 4.35Å; N44-W198 HydrophobicContact CB-CZ3 3.74Å; N44-W198 VanDerWaalsContact N-CE3 3.31Å
45	T	97.4	Very high	98.1	Very high	50 Å²	50	27.8 Å²	27.8	31%	0.307	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-24	-171.3	57.3	0	0	0	0	113.7	L43 P157 L197 R199	L43-T45 PolarHBondContact O-N 3.29Å; T45-P157 HydrophobicContact CG2-CB 4.44Å; T45-P157 HydrophobicContact CG2-CG 4.5Å; T45-L197 PolarHBondContact N-O 2.92Å; T45-L197 WeakPolarHBondContact OG1-CB 3.49Å; T45-L197 PolarHBondContact OG1-O 3.29Å; T45-R199 HydrophobicContact CG2-CB 3.96Å
46	R	97.6	Very high	98.1	Very high	146 Å²	146	29.9 Å²	29.9	55%	0.551	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-42.1	-179.9	178.4	61	-176.7	-164.2	7.1	112.7	N44 Q194	N44-R46 VanDerWaalsContact C-N 3.27Å; N44-R46 PolarHBondContact O-N 2.84Å; N44-R46 PolarHBondContact OD1-N 2.65Å; R46-Q194 WeakPolarHBondContact CB-O 3.32Å; R46-Q194 VanDerWaalsContact NH1-OE1 3.17Å
47	H	97.6	Very high	98.2	Very high	28 Å²	28	36 Å²	36	13%	0.13	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-6.3	-173.6	-68.9	-79.4	0	0	0	114.1	N44 V49 I171 T172 R184 H195	N44-H47 PolarHBondContact OD1-CD2 2.92Å; N44-H47 PolarHBondContact OD1-N 2.85Å; H47-V49 VanDerWaalsContact C-N 3.26Å; H47-V49 HydrophobicContact CB-CG2 3.97Å; H47-V49 PolarHBondContact O-N 3.22Å; H47-I171 HydrophobicContact CB-CG2 4.28Å; H47-I171 PolarHBondContact CD2-O 2.66Å; H47-I171 PolarHBondContact NE2-O 3.3Å; H47-T172 PolarHBondContact CE1-O 3.5Å; H47-T172 VanDerWaalsContact CE1-O 3.32Å; H47-R184 PolarHBondContact ND1-NH1 2.74Å; H47-H195 AromaticContact CD2-ND1 3.82Å; H47-H195 AromaticContact CE1-ND1 3.87Å; H47-H195 AromaticContact NE2-CE1 3.72Å; H47-H195 AromaticContact NE2-ND1 3.04Å; H47-H195 PolarHBondContact NE2-ND1 3.47Å
48	N	97.4	Very high	98.2	Very high	103 Å²	103	36 Å²	36	55%	0.551	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	40.4	-179.9	-163.6	47.7	0	0	0	113.3	N44	N44-N48 WeakPolarHBondContact O-CA 3.41Å; N44-N48 PolarHBondContact O-N 3.46Å
49	V	98.4	Very high	98.2	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	147.3	176.2	-67.4	0	0	0	0	110.9	N44 H47 V70 E71 I171 R184	N44-V49 HydrophobicContact CB-CG2 4.21Å; N44-V49 PolarHBondContact N-O 3.01Å; H47-V49 VanDerWaalsContact C-N 3.26Å; H47-V49 HydrophobicContact CB-CG2 3.97Å; H47-V49 PolarHBondContact O-N 3.22Å; V49-V70 CarbonylContact C-O 3.56Å; V49-V70 VanDerWaalsContact CA-O 3.26Å; V49-V70 WeakPolarHBondContact CA-O 3.47Å; V49-V70 WeakPolarHBondContact CB-O 3.39Å; V49-E71 HydrophobicContact CG1-CG 3.66Å; V49-I171 HydrophobicContact CG2-CD1 3.35Å; V49-R184 HydrophobicContact CG1-CG 4.35Å
50	R	98.7	Very high	98.2	Very high	18 Å²	18	41 Å²	41	7%	0.068	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	138.6	178.4	-69.3	169.3	-179.3	72.4	3	110.5	L42 L43 H52 G69 V70 A73 E202	L42-R50 CarbonylContact O-C 3.5Å; L42-R50 VanDerWaalsContact O-CA 3.28Å; L42-R50 WeakPolarHBondContact O-CA 3.26Å; L43-R50 HydrophobicContact CD1-CG 4.09Å; R50-H52 PolarHBondContact O-N 3.01Å; R50-G69 WeakPolarHBondContact O-CA 2.97Å; R50-V70 PolarHBondContact N-O 2.75Å; R50-V70 PolarHBondContact O-N 3.39Å; R50-A73 VanDerWaalsContact CZ-CA 3.43Å; R50-A73 VanDerWaalsContact CZ-CB 3.4Å; R50-E202 IonicContact CZ-OE1 3.56Å; R50-E202 IonicContact CZ-OE2 3.54Å; R50-E202 IonicContact NE-OE1 2.85Å; R50-E202 IonicContact NE-OE2 3.6Å; R50-E202 PolarHBondContact NE-OE2 2.85Å; R50-E202 IonicContact NH2-OE1 3.41Å; R50-E202 PolarHBondContact NH2-OE1 2.9Å; R50-E202 IonicContact NH2-OE2 2.69Å; R50-E202 PolarHBondContact NH2-OE2 2.94Å
51	L	98.9	Very high	98.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	131.8	171.1	-170.2	70.1	0	0	0	109.2	L42 V67 S78 W80 L113 L169 V186 W198	L42-L51 HydrophobicContact CB-CB 4.05Å; L42-L51 HydrophobicContact CD1-CD2 3.91Å; L42-L51 PolarHBondContact O-N 3.23Å; L51-V67 HydrophobicContact CD1-CG1 3.53Å; L51-V67 HydrophobicContact CG-CG1 4.26Å; L51-S78 WeakPolarHBondContact O-CA 3.4Å; L51-S78 WeakPolarHBondContact O-CB 3.46Å; L51-S78 PolarHBondContact O-OG 2.82Å; L51-W80 HydrophobicContact CD2-CD2 3.98Å; L51-W80 HydrophobicContact CD2-CG 4.39Å; L51-W80 HydrophobicContact CD2-CH2 4.36Å; L51-W80 HydrophobicContact CD2-CZ2 3.84Å; L51-W80 HydrophobicContact CG-CH2 4.49Å; L51-W80 HydrophobicContact CG-CZ2 3.67Å; L51-W80 PolarHBondContact O-NE1 3.43Å; L51-L113 HydrophobicContact CD2-CD1 4.3Å; L51-L113 HydrophobicContact CD2-CD2 4.21Å; L51-L169 HydrophobicContact CD1-CD2 4.39Å; L51-L169 HydrophobicContact CD2-CD2 4.25Å; L51-V186 HydrophobicContact CD1-CG1 3.93Å; L51-V186 HydrophobicContact CD1-CG2 3.97Å; L51-W198 HydrophobicContact CB-CH2 4.22Å; L51-W198 HydrophobicContact CB-CZ3 3.83Å; L51-W198 HydrophobicContact CD1-CH2 3.91Å; L51-W198 HydrophobicContact CD1-CZ3 4.37Å
52	H	98.8	Very high	98.1	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.009	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	148	-167.8	171.8	-96.5	0	0	0	110.6	R50 H54 V67 T68 V70 D75 N77 Q183	R50-H52 PolarHBondContact O-N 3.01Å; H52-H54 AromaticContact CE1-CE1 3.91Å; H52-H54 AromaticContact CE1-CG 3.78Å; H52-H54 AromaticContact CE1-ND1 2.98Å; H52-H54 PolarHBondContact CE1-ND1 2.85Å; H52-H54 AromaticContact ND1-CE1 3.94Å; H52-H54 AromaticContact ND1-ND1 3.23Å; H52-H54 PolarHBondContact ND1-ND1 2.86Å; H52-V67 CarbonylContact O-C 3.48Å; H52-V67 WeakPolarHBondContact O-CA 3.02Å; H52-T68 WeakPolarHBondContact CB-O 3.45Å; H52-T68 PolarHBondContact N-O 2.93Å; H52-T68 PolarHBondContact ND1-OG1 2.84Å; H52-T68 VanDerWaalsContact ND1-OG1 3.07Å; H52-T68 PolarHBondContact O-N 2.86Å; H52-V70 HydrophobicContact CB-CB 4.36Å; H52-V70 HydrophobicContact CB-CG1 3.78Å; H52-V70 HydrophobicContact CB-CG2 3.79Å; H52-D75 IonicContact CD2-OD2 3.54Å; H52-D75 IonicContact NE2-OD2 3.85Å; H52-D75 PolarHBondContact NE2-OD2 2.85Å; H52-N77 WeakPolarHBondContact CD2-CB 3.06Å; H52-N77 PolarHBondContact CD2-O 2.86Å; H52-N77 WeakPolarHBondContact NE2-CB 3.47Å; H52-Q183 PolarHBondContact ND1-OE1 3.1Å
53	S	98.9	Very high	98.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	162.3	171.4	-170.8	0	0	0	0	110.5	Q65 S66 N77 H106	S53-Q65 PolarHBondContact OG-OE1 3.16Å; S53-S66 PolarHBondContact OG-O 3.29Å; S53-N77 PolarHBondContact N-O 2.03Å; S53-N77 WeakPolarHBondContact O-CB 3.5Å; S53-H106 PolarHBondContact O-CE1 3.39Å; S53-H106 PolarHBondContact O-NE2 3Å
54	H	98.6	Very high	98.1	Very high	18 Å²	18	47.1 Å²	47.1	8%	0.083	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	175.5	-170.6	50.1	-90.7	0	0	0	109.6	H52 V56 Q65 S66 I180 Q183	H52-H54 AromaticContact CE1-CE1 3.91Å; H52-H54 AromaticContact CE1-CG 3.78Å; H52-H54 AromaticContact CE1-ND1 2.98Å; H52-H54 PolarHBondContact CE1-ND1 2.85Å; H52-H54 AromaticContact ND1-CE1 3.94Å; H52-H54 AromaticContact ND1-ND1 3.23Å; H52-H54 PolarHBondContact ND1-ND1 2.86Å; H54-V56 WeakPolarHBondContact CD2-CB 3.4Å; H54-V56 VanDerWaalsContact CD2-CG2 3.49Å; H54-V56 WeakPolarHBondContact CD2-CG2 3.16Å; H54-V56 PolarHBondContact CD2-N 3.37Å; H54-V56 WeakPolarHBondContact NE2-CB 3.23Å; H54-V56 PolarHBondContact O-N 2.72Å; H54-Q65 WeakPolarHBondContact O-CG 3.48Å; H54-Q65 PolarHBondContact O-NE2 3.41Å; H54-S66 PolarHBondContact NE2-OG 3.03Å; H54-S66 VanDerWaalsContact NE2-OG 3.12Å; H54-I180 WeakPolarHBondContact NE2-CG2 3.3Å; H54-Q183 PolarHBondContact CE1-OE1 3.38Å
55	D	97.6	Very high	98.1	Very high	136 Å²	136	47.4 Å²	47.4	73%	0.727	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	48.6	-176.4	-158.2	27.4	0	0	0	113.9
56	V	98.3	Very high	98.2	Very high	46 Å²	46	45 Å²	45	28%	0.279	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.2	169.5	178.3	0	0	0	0	107.7	H54 S66 P179 I180	H54-V56 WeakPolarHBondContact CD2-CB 3.4Å; H54-V56 VanDerWaalsContact CD2-CG2 3.49Å; H54-V56 WeakPolarHBondContact CD2-CG2 3.16Å; H54-V56 PolarHBondContact CD2-N 3.37Å; H54-V56 WeakPolarHBondContact NE2-CB 3.23Å; H54-V56 PolarHBondContact O-N 2.72Å; V56-S66 WeakPolarHBondContact O-CB 3.45Å; V56-S66 PolarHBondContact O-N 3.31Å; V56-S66 PolarHBondContact O-OG 2.83Å; V56-P179 HydrophobicContact CG1-CG 4.01Å; V56-P179 HydrophobicContact CG2-CG 4.32Å; V56-I180 HydrophobicContact CG2-CG2 4.25Å
57	K	98.4	Very high	98.2	Very high	134 Å²	134	38.1 Å²	38.1	58%	0.583	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	155.5	179.6	-64.4	179.9	179.8	-177.3	0	111	Q64	K57-Q64 CarbonylContact C-O 3.56Å; K57-Q64 VanDerWaalsContact CA-O 3.25Å; K57-Q64 WeakPolarHBondContact CA-O 3.4Å; K57-Q64 WeakPolarHBondContact CB-O 3.42Å
58	Y	98.3	Very high	98.3	Very high	16 Å²	16	36.8 Å²	36.8	6%	0.063	23%	0.233	C	C	.	.			trans	-63.4	140.4	168.2	-64.1	-50.2	0	0	0	110.6	S60 G63 Q64 V67 P121 E127 V128 Y176	Y58-S60 VanDerWaalsContact C-N 3.3Å; Y58-S60 WeakPolarHBondContact CB-O 3.5Å; Y58-G63 WeakPolarHBondContact O-CA 3.24Å; Y58-Q64 PolarHBondContact N-O 2.85Å; Y58-V67 PolarHBondContact OH-N 2.78Å; Y58-V67 PolarHBondContact OH-O 2.92Å; Y58-V67 VanDerWaalsContact OH-O 3.09Å; Y58-P121 HydrophobicContact CD1-CG 3.49Å; Y58-P121 VanDerWaalsContact CD1-CG 3.49Å; Y58-P121 HydrophobicContact CE1-CG 3.7Å; Y58-P121 HydrophobicContact CG-CG 3.97Å; Y58-E127 HydrophobicContact CD2-CG 3.99Å; Y58-E127 HydrophobicContact CE2-CG 3.69Å; Y58-V128 WeakPolarHBondContact CE2-O 3.47Å; Y58-V128 PolarHBondContact OH-O 2.87Å; Y58-Y176 WeakPolarHBondContact CE1-OH 3.33Å
59	G	97.1	Very high	98.4	Very high	94 Å²	94	31.9 Å²	31.9	97%	0.969	21%	0.207	S	C	*	.	S	Bend	trans	-86.6	-2.8	171.7	0	0	0	0	0	113.6
60	S	96.8	Very high	98.4	Very high	57 Å²	57	32.4 Å²	32.4	40%	0.399	21%	0.21	S	C	.	.	S	Bend	trans	-136	-177.2	-179.4	61.6	0	0	0	0	109.5	Y58 S62 G63	Y58-S60 VanDerWaalsContact C-N 3.3Å; Y58-S60 WeakPolarHBondContact CB-O 3.5Å; S60-S62 PolarHBondContact O-N 2.87Å; S60-G63 PolarHBondContact O-N 2.79Å
61	G	97.4	Very high	98.3	Very high	38 Å²	38	37.8 Å²	37.8	39%	0.392	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	-126.9	176.5	0	0	0	0	0	111.2	E127	G61-E127 WeakPolarHBondContact CA-OE2 3.19Å
62	S	98.3	Very high	98.2	Very high	32 Å²	32	40 Å²	40	22%	0.224	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-16.3	-177.4	72.2	0	0	0	0	114.6	S60 Q64 H116 E127	S60-S62 PolarHBondContact O-N 2.87Å; S62-Q64 PolarHBondContact O-N 2.74Å; S62-Q64 VanDerWaalsContact OG-CB 3.28Å; S62-Q64 WeakPolarHBondContact OG-CB 3.16Å; S62-Q64 WeakPolarHBondContact OG-CG 3.31Å; S62-Q64 PolarHBondContact OG-N 3.04Å; S62-Q64 VanDerWaalsContact OG-N 3.14Å; S62-H116 WeakPolarHBondContact CB-CE1 3.25Å; S62-H116 PolarHBondContact OG-CE1 3.02Å; S62-E127 VanDerWaalsContact CB-OE1 3.23Å; S62-E127 WeakPolarHBondContact CB-OE1 2.95Å; S62-E127 PolarHBondContact N-OE2 2.84Å; S62-E127 PolarHBondContact OG-OE1 3.45Å; S62-E127 PolarHBondContact OG-OE2 3.3Å
63	G	98.4	Very high	98	Very high	32 Å²	32	42 Å²	42	33%	0.33	27%	0.268	S	S	.	.			trans	69.3	12.2	-171.1	0	0	0	0	0	114.7	Y58 S60	Y58-G63 WeakPolarHBondContact O-CA 3.24Å; S60-G63 PolarHBondContact O-N 2.79Å
64	Q	98.6	Very high	97.9	Very high	38 Å²	38	48.5 Å²	48.5	18%	0.178	30%	0.303	C	S	.	.			trans	-75.3	174.6	177.4	-67.3	176.2	0.8	0	0	112.5	K57 Y58 S62 S66 H116 S129 F131	K57-Q64 CarbonylContact C-O 3.56Å; K57-Q64 VanDerWaalsContact CA-O 3.25Å; K57-Q64 WeakPolarHBondContact CA-O 3.4Å; K57-Q64 WeakPolarHBondContact CB-O 3.42Å; Y58-Q64 PolarHBondContact N-O 2.85Å; S62-Q64 PolarHBondContact O-N 2.74Å; S62-Q64 VanDerWaalsContact OG-CB 3.28Å; S62-Q64 WeakPolarHBondContact OG-CB 3.16Å; S62-Q64 WeakPolarHBondContact OG-CG 3.31Å; S62-Q64 PolarHBondContact OG-N 3.04Å; S62-Q64 VanDerWaalsContact OG-N 3.14Å; Q64-S66 PolarHBondContact O-N 3.43Å; Q64-H116 PolarHBondContact NE2-CE1 3.32Å; Q64-H116 PolarHBondContact OE1-CE1 3.11Å; Q64-S129 PolarHBondContact OE1-OG 3.18Å; Q64-F131 HydrophobicContact CG-CD2 4.33Å; Q64-F131 VanDerWaalsContact NE2-CD2 3.26Å
65	Q	98.8	Very high	97.8	Very high	6 Å²	6	49.9 Å²	49.9	3%	0.028	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	133.6	177.6	178.5	172.1	92.2	0	0	110.1	S53 H54 T109 S129 A130	S53-Q65 PolarHBondContact OG-OE1 3.16Å; H54-Q65 WeakPolarHBondContact O-CG 3.48Å; H54-Q65 PolarHBondContact O-NE2 3.41Å; Q65-T109 PolarHBondContact OE1-OG1 2.76Å; Q65-S129 WeakPolarHBondContact O-CA 3.19Å; Q65-S129 WeakPolarHBondContact O-CB 3.25Å; Q65-A130 HydrophobicContact CB-CB 4.05Å; Q65-A130 WeakPolarHBondContact CB-O 3.41Å; Q65-A130 HydrophobicContact CG-CB 4.01Å; Q65-A130 PolarHBondContact O-N 3.44Å
66	S	98.8	Very high	97.8	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.007	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	150	-174.6	63.7	0	0	0	0	112.9	S53 H54 V56 Q64	S53-S66 PolarHBondContact OG-O 3.29Å; H54-S66 PolarHBondContact NE2-OG 3.03Å; H54-S66 VanDerWaalsContact NE2-OG 3.12Å; V56-S66 WeakPolarHBondContact O-CB 3.45Å; V56-S66 PolarHBondContact O-N 3.31Å; V56-S66 PolarHBondContact O-OG 2.83Å; Q64-S66 PolarHBondContact O-N 3.43Å
67	V	98.9	Very high	97.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	131.7	173.4	175.8	0	0	0	0	108	L51 H52 Y58 W80 L113 V128 A130 V186	L51-V67 HydrophobicContact CD1-CG1 3.53Å; L51-V67 HydrophobicContact CG-CG1 4.26Å; H52-V67 CarbonylContact O-C 3.48Å; H52-V67 WeakPolarHBondContact O-CA 3.02Å; Y58-V67 PolarHBondContact OH-N 2.78Å; Y58-V67 PolarHBondContact OH-O 2.92Å; Y58-V67 VanDerWaalsContact OH-O 3.09Å; V67-W80 HydrophobicContact CG1-CH2 4.39Å; V67-W80 HydrophobicContact CG1-CZ2 4.46Å; V67-W80 HydrophobicContact CG2-CH2 4.19Å; V67-L113 HydrophobicContact CG1-CD1 3.9Å; V67-L113 HydrophobicContact CG2-CD1 4.15Å; V67-V128 HydrophobicContact CB-CG1 4.32Å; V67-V128 HydrophobicContact CG1-CG1 4.29Å; V67-A130 HydrophobicContact CG2-CB 3.88Å; V67-V186 HydrophobicContact CG1-CB 4.11Å; V67-V186 HydrophobicContact CG1-CG1 4.05Å; V67-V186 HydrophobicContact CG1-CG2 4.33Å
68	T	98.8	Very high	97.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	172.5	-170.2	65.3	0	0	0	0	111.6	H52 Y176 I180 Q183 R184	H52-T68 WeakPolarHBondContact CB-O 3.45Å; H52-T68 PolarHBondContact N-O 2.93Å; H52-T68 PolarHBondContact ND1-OG1 2.84Å; H52-T68 VanDerWaalsContact ND1-OG1 3.07Å; H52-T68 PolarHBondContact O-N 2.86Å; T68-Y176 HydrophobicContact CG2-CD2 4.03Å; T68-Y176 HydrophobicContact CG2-CE2 3.76Å; T68-I180 HydrophobicContact CG2-CD1 3.96Å; T68-Q183 HydrophobicContact CG2-CB 4.24Å; T68-Q183 PolarHBondContact OG1-OE1 3.33Å; T68-R184 CarbonylContact C-O 3.54Å; T68-R184 VanDerWaalsContact CA-O 3.27Å; T68-R184 WeakPolarHBondContact CA-O 3.13Å; T68-R184 WeakPolarHBondContact CB-O 3.3Å
69	G	98.6	Very high	97.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.4	168.2	0	0	0	0	0	111.5	R50 Q183 R184	R50-G69 WeakPolarHBondContact O-CA 2.97Å; G69-Q183 WeakPolarHBondContact O-CA 3.26Å; G69-R184 PolarHBondContact N-O 2.79Å; G69-R184 PolarHBondContact O-N 3.13Å
70	V	98.5	Very high	97.9	Very high	13 Å²	13	36.1 Å²	36.1	8%	0.079	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	147.2	176.4	-58.2	0	0	0	0	112.3	V49 R50 H52 S78 Q183	V49-V70 CarbonylContact C-O 3.56Å; V49-V70 VanDerWaalsContact CA-O 3.26Å; V49-V70 WeakPolarHBondContact CA-O 3.47Å; V49-V70 WeakPolarHBondContact CB-O 3.39Å; R50-V70 PolarHBondContact N-O 2.75Å; R50-V70 PolarHBondContact O-N 3.39Å; H52-V70 HydrophobicContact CB-CB 4.36Å; H52-V70 HydrophobicContact CB-CG1 3.78Å; H52-V70 HydrophobicContact CB-CG2 3.79Å; V70-S78 WeakPolarHBondContact CG2-OG 3.41Å; V70-Q183 HydrophobicContact CG1-CB 4.46Å; V70-Q183 HydrophobicContact CG1-CG 3.89Å
71	E	97.4	Very high	98	Very high	130 Å²	130	36.8 Å²	36.8	61%	0.607	22%	0.221	S	C	*	.			trans	-81	-24.9	179.2	-67.8	180	-177.1	0	0	112.6	V49 A73 R184	V49-E71 HydrophobicContact CG1-CG 3.66Å; E71-A73 PolarHBondContact O-N 2.86Å; E71-R184 IonicContact OE1-NH2 2.68Å; E71-R184 PolarHBondContact OE1-NH2 2.83Å; E71-R184 VanDerWaalsContact OE1-NH2 3.16Å
72	S	96.7	Very high	98.1	Very high	47 Å²	47	35 Å²	35	33%	0.329	20%	0.202	S	C	.	.			trans	-59.6	126.1	178.6	159.8	0	0	0	0	110.9	D74 D75	S72-D74 PolarHBondContact OG-OD1 3.34Å; S72-D75 PolarHBondContact OG-N 3.37Å
73	A	95.4	Very high	98	Very high	43 Å²	43	37.1 Å²	37.1	36%	0.355	21%	0.206	S	C	.	.	S	Bend	trans	-83.6	-22.7	179.4	0	0	0	0	0	113.2	K41 R50 E71	K41-A73 PolarHBondContact NZ-O 3.06Å; R50-A73 VanDerWaalsContact CZ-CA 3.43Å; R50-A73 VanDerWaalsContact CZ-CB 3.4Å; E71-A73 PolarHBondContact O-N 2.86Å
74	D	95.3	Very high	97.9	Very high	138 Å²	138	36.2 Å²	36.2	74%	0.738	20%	0.196	S	C	*	.	S	Bend	trans	-99.2	-10.7	-171.6	59	-31.3	0	0	0	113.8	K41 S72 A76	K41-D74 VanDerWaalsContact NZ-C 3.34Å; K41-D74 PolarHBondContact NZ-O 3.38Å; S72-D74 PolarHBondContact OG-OD1 3.34Å; D74-A76 PolarHBondContact O-N 2.87Å
75	D	97.5	Very high	97.7	Very high	47 Å²	47	37.9 Å²	37.9	25%	0.251	20%	0.203	S	C	.	.			trans	-59.4	125.4	-179.8	-162.5	-27.6	0	0	0	112.3	K41 H52 S72 N77 S78	K41-D75 PolarHBondContact NZ-O 2.79Å; H52-D75 IonicContact CD2-OD2 3.54Å; H52-D75 IonicContact NE2-OD2 3.85Å; H52-D75 PolarHBondContact NE2-OD2 2.85Å; S72-D75 PolarHBondContact OG-N 3.37Å; D75-N77 VanDerWaalsContact C-N 3.26Å; D75-N77 PolarHBondContact O-N 2.82Å; D75-N77 WeakPolarHBondContact OD1-CB 3.38Å; D75-N77 PolarHBondContact OD1-N 2.8Å; D75-N77 PolarHBondContact OD1-ND2 2.97Å; D75-S78 PolarHBondContact O-N 3.15Å
76	A	97.8	Very high	97.2	Very high	51 Å²	51	40.2 Å²	40.2	42%	0.421	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-69.7	-22.6	178.1	0	0	0	0	0	113	D74 S78 Y79	D74-A76 PolarHBondContact O-N 2.87Å; A76-S78 PolarHBondContact O-N 2.81Å; A76-Y79 WeakPolarHBondContact O-CD2 3.46Å; A76-Y79 PolarHBondContact O-N 2.6Å
77	N	98.6	Very high	96.7	Very high	24 Å²	24	44.5 Å²	44.5	13%	0.128	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-71.6	-0.2	173.8	-63.7	-30	0	0	0	113.3	H52 S53 D75 H106 K108	H52-N77 WeakPolarHBondContact CD2-CB 3.06Å; H52-N77 PolarHBondContact CD2-O 2.86Å; H52-N77 WeakPolarHBondContact NE2-CB 3.47Å; S53-N77 PolarHBondContact N-O 2.03Å; S53-N77 WeakPolarHBondContact O-CB 3.5Å; D75-N77 VanDerWaalsContact C-N 3.26Å; D75-N77 PolarHBondContact O-N 2.82Å; D75-N77 WeakPolarHBondContact OD1-CB 3.38Å; D75-N77 PolarHBondContact OD1-N 2.8Å; D75-N77 PolarHBondContact OD1-ND2 2.97Å; N77-H106 PolarHBondContact O-CD2 2.97Å; N77-H106 PolarHBondContact O-NE2 2.9Å; N77-K108 WeakPolarHBondContact OD1-CD 3.47Å; N77-K108 WeakPolarHBondContact OD1-CE 3.44Å; N77-K108 PolarHBondContact OD1-NZ 3.43Å
78	S	98.8	Very high	96.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-99.8	4.4	173.8	-66.5	0	0	0	0	113.4	K41 L51 V70 D75 A76	K41-S78 WeakPolarHBondContact CG-O 3.34Å; L51-S78 WeakPolarHBondContact O-CA 3.4Å; L51-S78 WeakPolarHBondContact O-CB 3.46Å; L51-S78 PolarHBondContact O-OG 2.82Å; V70-S78 WeakPolarHBondContact CG2-OG 3.41Å; D75-S78 PolarHBondContact O-N 3.15Å; A76-S78 PolarHBondContact O-N 2.81Å
79	Y	98.7	Very high	96.1	Very high	62 Å²	62	58.8 Å²	58.8	24%	0.243	32%	0.321	C	S	.	.			trans	-83.7	128.5	174.8	-77.4	-67.9	0	0	0	112.1	L39 K41 A76 M107	L39-Y79 HydrophobicContact CB-CD1 4.43Å; K41-Y79 HydrophobicContact CD-CE1 4.5Å; K41-Y79 HydrophobicContact CG-CD1 4.01Å; K41-Y79 HydrophobicContact CG-CE1 3.97Å; A76-Y79 WeakPolarHBondContact O-CD2 3.46Å; A76-Y79 PolarHBondContact O-N 2.6Å; Y79-M107 WeakPolarHBondContact O-CB 3.09Å; Y79-M107 PolarHBondContact O-N 2.75Å
80	W	98.9	Very high	95.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133	177.2	-59.8	83.8	0	0	0	110.2	L39 V40 L51 V67 I104 T105 H106 L113	L39-W80 WeakPolarHBondContact CA-O 3.27Å; V40-W80 PolarHBondContact N-O 3.34Å; V40-W80 PolarHBondContact O-N 2.86Å; L51-W80 HydrophobicContact CD2-CD2 3.98Å; L51-W80 HydrophobicContact CD2-CG 4.39Å; L51-W80 HydrophobicContact CD2-CH2 4.36Å; L51-W80 HydrophobicContact CD2-CZ2 3.84Å; L51-W80 HydrophobicContact CG-CH2 4.49Å; L51-W80 HydrophobicContact CG-CZ2 3.67Å; L51-W80 PolarHBondContact O-NE1 3.43Å; V67-W80 HydrophobicContact CG1-CH2 4.39Å; V67-W80 HydrophobicContact CG1-CZ2 4.46Å; V67-W80 HydrophobicContact CG2-CH2 4.19Å; W80-I104 HydrophobicContact CB-CG2 3.68Å; W80-I104 HydrophobicContact CD2-CG2 4.06Å; W80-I104 HydrophobicContact CE3-CG2 3.76Å; W80-I104 HydrophobicContact CG-CG2 4.04Å; W80-T105 CarbonylContact C-O 3.52Å; W80-T105 WeakPolarHBondContact CA-O 3.35Å; W80-H106 HydrophobicContact CD2-CB 4.35Å; W80-H106 VanDerWaalsContact CE3-CA 3.44Å; W80-H106 HydrophobicContact CE3-CB 3.75Å; W80-H106 VanDerWaalsContact CE3-N 3.26Å; W80-H106 HydrophobicContact CH2-CB 3.86Å; W80-H106 HydrophobicContact CZ2-CB 4.4Å; W80-H106 HydrophobicContact CZ3-CB 3.51Å; W80-L113 HydrophobicContact CH2-CD1 4.18Å; W80-L113 HydrophobicContact CZ3-CB 4.05Å; W80-L113 HydrophobicContact CZ3-CD1 4.29Å
81	Q	98.6	Very high	95.7	Very high	71 Å²	71	65 Å²	65	33%	0.332	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	130	173.9	-166.1	176.4	49.2	0	0	110.7	S38 L39 R83 T105	S38-Q81 WeakPolarHBondContact O-CA 3.44Å; L39-Q81 HydrophobicContact CD2-CB 3.63Å; L39-Q81 HydrophobicContact CD2-CG 4Å; Q81-R83 HydrophobicContact CG-CG 4.1Å; Q81-T105 PolarHBondContact N-O 3.11Å; Q81-T105 PolarHBondContact O-N 3.23Å
82	I	98.4	Very high	95.5	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	119.3	174.3	-53.4	-53.4	0	0	0	109.4	V34 G37 S38 V40 I96 I102 I104 W152	V34-I82 HydrophobicContact CG1-CG1 4.06Å; G37-I82 VanDerWaalsContact CA-O 3.32Å; G37-I82 WeakPolarHBondContact CA-O 3.31Å; G37-I82 PolarHBondContact N-O 2.92Å; S38-I82 PolarHBondContact O-N 2.93Å; V40-I82 HydrophobicContact CG2-CD1 3.87Å; V40-I82 HydrophobicContact CG2-CG1 3.94Å; I82-I96 HydrophobicContact CG2-CD1 4.12Å; I82-I96 HydrophobicContact CG2-CG1 4Å; I82-I102 HydrophobicContact CD1-CD1 4.43Å; I82-I102 HydrophobicContact CG2-CD1 3.99Å; I82-I102 HydrophobicContact CG2-CG2 4.49Å; I82-I104 HydrophobicContact CD1-CG1 4.26Å; I82-I104 HydrophobicContact CD1-CG2 4.39Å; I82-W152 HydrophobicContact CD1-CH2 3.91Å; I82-W152 HydrophobicContact CD1-CZ3 3.96Å; I82-W152 HydrophobicContact CG1-CH2 4.39Å; I82-W152 HydrophobicContact CG1-CZ3 4.15Å; I82-W152 HydrophobicContact CG2-CZ3 4.23Å
83	R	97.8	Very high	95.4	Very high	77 Å²	77	65.5 Å²	65.5	29%	0.291	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	159.8	-179.2	-62.2	179.7	72	-156.2	2.8	111	Q81 I102 R103 G135 E136	Q81-R83 HydrophobicContact CG-CG 4.1Å; R83-I102 CarbonylContact O-C 3.57Å; R83-I102 VanDerWaalsContact O-CA 3.31Å; R83-I102 WeakPolarHBondContact O-CA 3.36Å; R83-I102 VanDerWaalsContact O-CB 3.29Å; R83-I102 WeakPolarHBondContact O-CB 3.28Å; R83-R103 HydrophobicContact CB-CB 4.32Å; R83-R103 PolarHBondContact N-O 2.85Å; R83-R103 PolarHBondContact O-N 3.34Å; R83-G135 PolarHBondContact NH1-O 3.23Å; R83-G135 VanDerWaalsContact NH1-O 3.08Å; R83-E136 IonicContact NH2-OE1 2.75Å
84	G	96.3	Very high	95.4	Very high	13 Å²	13	65.2 Å²	65.2	13%	0.134	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	160	170.2	0	0	0	0	0	110.5	C90	G84-C90 WeakPolarHBondContact CA-SG 3.42Å; G84-C90 PolarHBondContact N-SG 2.99Å
85	K	93.5	Very high	95.4	Very high	72 Å²	72	60 Å²	60	31%	0.313	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-65.5	154.4	170.8	69	167.1	-171.9	161.8	0	111	A87 R88 P101 V142	K85-A87 PolarHBondContact O-N 2.8Å; K85-R88 HydrophobicContact CG-CB 4.02Å; K85-R88 CarbonylContact O-C 3.5Å; K85-R88 PolarHBondContact O-N 2.79Å; K85-R88 VanDerWaalsContact O-O 3.06Å; K85-P101 HydrophobicContact CD-CB 4.13Å; K85-P101 HydrophobicContact CD-CG 3.89Å; K85-P101 HydrophobicContact CG-CG 4.4Å; K85-V142 HydrophobicContact CB-CG1 4.13Å; K85-V142 HydrophobicContact CB-CG2 4.24Å
86	P	87.8	Confident	95.4	Very high	56 Å²	56	57.8 Å²	57.8	36%	0.364	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-47.8	-173.8	-27.1	34.4	0	0	0	114.3	R88 P89 R103	P86-R88 PolarHBondContact O-N 3.36Å; P86-P89 WeakPolarHBondContact O-CD 3.43Å; P86-R103 VanDerWaalsContact CG-NH1 3.34Å
87	A	89.3	Confident	95.4	Very high	90 Å²	90	60.7 Å²	60.7	74%	0.744	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-13.5	-179.4	0	0	0	0	0	113.4	K85	K85-A87 PolarHBondContact O-N 2.8Å
88	R	91.9	Very high	95.4	Very high	197 Å²	197	61 Å²	61	74%	0.743	31%	0.309	S	S	*	.	B	Isolated β-bridge	trans	-147.8	75.3	178.6	-168.4	177.3	-178.8	165.8	2.1	109.9	K85 P86	K85-R88 HydrophobicContact CG-CB 4.02Å; K85-R88 CarbonylContact O-C 3.5Å; K85-R88 PolarHBondContact O-N 2.79Å; K85-R88 VanDerWaalsContact O-O 3.06Å; P86-R88 PolarHBondContact O-N 3.36Å
89	P	92.3	Very high	95.4	Very high	104 Å²	104	63.3 Å²	63.3	68%	0.675	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-57.4	147.8	174.9	-21.1	34.1	0	0	0	110.1	P86	P86-P89 WeakPolarHBondContact O-CD 3.43Å
90	C	94.2	Very high	95.4	Very high	30 Å²	30	62.2 Å²	62.2	20%	0.203	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-99	149	172.4	50.5	0	0	0	0	110.7	C36 G84	C36-C90 HydrophobicContact CB-CB 3.7Å; C36-C90 WeakPolarHBondContact CB-SG 3.46Å; C36-C90 WeakPolarHBondContact SG-CB 3.2Å; C36-C90 PolarHBondContact SG-O 2.75Å; C36-C90 CovalentContact SG-SG 2.02Å; C36-C90 PolarHBondContact SG-SG 3.13Å; G84-C90 WeakPolarHBondContact CA-SG 3.42Å; G84-C90 PolarHBondContact N-SG 2.99Å
91	Q	94.6	Very high	95.3	Very high	114 Å²	114	64.1 Å²	64.1	53%	0.533	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-69.4	131.5	174.6	-178.9	-178.8	-31.4	0	0	109.4	C36 G93 S94	C36-Q91 VanDerWaalsContact CB-O 3.3Å; C36-Q91 WeakPolarHBondContact CB-O 3.34Å; Q91-G93 PolarHBondContact O-N 3.46Å; Q91-S94 VanDerWaalsContact O-CB 3.25Å; Q91-S94 WeakPolarHBondContact O-CB 3.32Å; Q91-S94 PolarHBondContact O-N 2.64Å; Q91-S94 PolarHBondContact O-OG 3.49Å
92	R	94.3	Very high	95.3	Very high	185 Å²	185	60.7 Å²	60.7	70%	0.698	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	130.6	174.5	-177.2	175.3	-176.1	-122.9	-6.3	110.7	C36 S94 I206	C36-R92 WeakPolarHBondContact O-CA 3.4Å; R92-S94 VanDerWaalsContact C-N 3.29Å; R92-S94 PolarHBondContact O-N 3.25Å; R92-I206 HydrophobicContact CG-CD1 3.68Å; R92-I206 HydrophobicContact CG-CG2 3.96Å
93	G	93.8	Very high	95.3	Very high	1 Å²	1	61 Å²	61	1%	0.01	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	-7.3	-177.2	0	0	0	0	0	115.3	T35 C36 Q91 P208	T35-G93 WeakPolarHBondContact CB-O 3.22Å; T35-G93 WeakPolarHBondContact CG2-O 3.41Å; C36-G93 PolarHBondContact O-N 3.05Å; Q91-G93 PolarHBondContact O-N 3.46Å; G93-P208 WeakPolarHBondContact O-CG 3.43Å
94	S	95	Very high	95.4	Very high	38 Å²	38	57.4 Å²	57.4	27%	0.266	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-70.6	137.4	172.4	64.3	0	0	0	0	111.6	T35 C36 Q91 R92	T35-S94 CarbonylContact C-O 3.5Å; T35-S94 WeakPolarHBondContact CA-O 3.41Å; T35-S94 WeakPolarHBondContact CB-O 3.32Å; C36-S94 PolarHBondContact N-O 2.85Å; Q91-S94 VanDerWaalsContact O-CB 3.25Å; Q91-S94 WeakPolarHBondContact O-CB 3.32Å; Q91-S94 PolarHBondContact O-N 2.64Å; Q91-S94 PolarHBondContact O-OG 3.49Å; R92-S94 VanDerWaalsContact C-N 3.29Å; R92-S94 PolarHBondContact O-N 3.25Å
95	A	96.2	Very high	95.5	Very high	29 Å²	29	57 Å²	57	24%	0.24	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-64.7	136.2	177.7	0	0	0	0	0	111.6	Y151	A95-Y151 HydrophobicContact CB-CD1 3.57Å; A95-Y151 HydrophobicContact CB-CE1 3.86Å; A95-Y151 HydrophobicContact CB-CG 4.07Å
96	I	97.7	Very high	95.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-79.4	124.5	176.8	-58.2	-60.4	0	0	0	109.2	V34 C36 I82 Q100 I102 V145 Y151 W152	V34-I96 PolarHBondContact O-N 3.18Å; C36-I96 HydrophobicContact CB-CD1 3.95Å; I82-I96 HydrophobicContact CG2-CD1 4.12Å; I82-I96 HydrophobicContact CG2-CG1 4Å; I96-Q100 HydrophobicContact CG2-CB 4.21Å; I96-I102 HydrophobicContact CD1-CG2 4.27Å; I96-I102 HydrophobicContact CG2-CG2 3.97Å; I96-V145 HydrophobicContact CG2-CG2 4.03Å; I96-Y151 CarbonylContact O-C 3.57Å; I96-Y151 WeakPolarHBondContact O-CA 3.43Å; I96-W152 HydrophobicContact CB-CB 4.38Å; I96-W152 HydrophobicContact CB-CE3 4.27Å; I96-W152 HydrophobicContact CG2-CE3 4.04Å; I96-W152 PolarHBondContact O-N 3.28Å
97	K	97.6	Very high	96.2	Very high	111 Å²	111	55.1 Å²	55.1	48%	0.483	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-78.2	148.5	178.6	-67.2	179.4	-179.7	-174.7	0	111.8	G99 Q100 I150 Y151	K97-G99 PolarHBondContact O-N 2.79Å; K97-Q100 HydrophobicContact CB-CB 4.19Å; K97-Q100 VanDerWaalsContact N-OE1 3.09Å; K97-Q100 WeakPolarHBondContact O-CB 3.24Å; K97-Q100 PolarHBondContact O-N 3.44Å; K97-I150 WeakPolarHBondContact CA-O 3.19Å; K97-Y151 HydrophobicContact CB-CD1 4.42Å; K97-Y151 HydrophobicContact CD-CE1 4.34Å; K97-Y151 HydrophobicContact CG-CD1 3.69Å; K97-Y151 HydrophobicContact CG-CE1 3.49Å; K97-Y151 VanDerWaalsContact CG-CE1 3.49Å
98	C	98.2	Very high	96.7	Very high	31 Å²	31	57.3 Å²	57.3	21%	0.209	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	136	164	-60.9	0	0	0	0	109.5	Q100 C147 D148 I150 Y151	C98-Q100 VanDerWaalsContact C-N 3.3Å; C98-C147 WeakPolarHBondContact CA-SG 3.07Å; C98-C147 HydrophobicContact CB-CB 4.23Å; C98-C147 WeakPolarHBondContact CB-O 3.37Å; C98-C147 WeakPolarHBondContact CB-SG 3.41Å; C98-C147 VanDerWaalsContact SG-C 3.5Å; C98-C147 WeakPolarHBondContact SG-CB 3.4Å; C98-C147 PolarHBondContact SG-O 2.98Å; C98-C147 VanDerWaalsContact SG-O 3.39Å; C98-C147 CovalentContact SG-SG 2.03Å; C98-C147 PolarHBondContact SG-SG 2.82Å; C98-D148 PolarHBondContact SG-O 3.18Å; C98-D148 VanDerWaalsContact SG-O 3.39Å; C98-I150 PolarHBondContact N-O 3.28Å; C98-Y151 VanDerWaalsContact SG-C 3.56Å; C98-Y151 PolarHBondContact SG-O 3.32Å
99	G	98.3	Very high	97	Very high	49 Å²	49	49.6 Å²	49.6	51%	0.505	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	1	-171.6	0	0	0	0	0	114.8	K97 V145	K97-G99 PolarHBondContact O-N 2.79Å; G99-V145 WeakPolarHBondContact CA-O 3.37Å; G99-V145 PolarHBondContact N-O 3.19Å
100	Q	98.1	Very high	97.3	Very high	39 Å²	39	46.7 Å²	46.7	18%	0.182	25%	0.247	C	C	.	.			trans	-76.3	131.9	179.6	-173.4	172.4	-44.1	0	0	111.5	I96 K97 C98 I102 V145	I96-Q100 HydrophobicContact CG2-CB 4.21Å; K97-Q100 HydrophobicContact CB-CB 4.19Å; K97-Q100 VanDerWaalsContact N-OE1 3.09Å; K97-Q100 WeakPolarHBondContact O-CB 3.24Å; K97-Q100 PolarHBondContact O-N 3.44Å; C98-Q100 VanDerWaalsContact C-N 3.3Å; Q100-I102 HydrophobicContact CG-CG2 4.29Å; Q100-V145 PolarHBondContact O-N 3.09Å; Q100-V145 VanDerWaalsContact O-N 3.13Å
101	P	98.3	Very high	97.5	Very high	39 Å²	39	48.7 Å²	48.7	25%	0.253	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	130.1	169	29.6	-33.1	0	0	0	110.7	K85 V142 W143	K85-P101 HydrophobicContact CD-CB 4.13Å; K85-P101 HydrophobicContact CD-CG 3.89Å; K85-P101 HydrophobicContact CG-CG 4.4Å; P101-V142 HydrophobicContact CB-CG1 3.65Å; P101-W143 CarbonylContact C-O 3.48Å; P101-W143 WeakPolarHBondContact CA-O 3.45Å
102	I	98.4	Very high	97.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	165.8	-178.4	61.7	163.5	0	0	0	111	I82 R83 I96 Q100 I104 V142 W143 V145 W152 F160	I82-I102 HydrophobicContact CD1-CD1 4.43Å; I82-I102 HydrophobicContact CG2-CD1 3.99Å; I82-I102 HydrophobicContact CG2-CG2 4.49Å; R83-I102 CarbonylContact O-C 3.57Å; R83-I102 VanDerWaalsContact O-CA 3.31Å; R83-I102 WeakPolarHBondContact O-CA 3.36Å; R83-I102 VanDerWaalsContact O-CB 3.29Å; R83-I102 WeakPolarHBondContact O-CB 3.28Å; I96-I102 HydrophobicContact CD1-CG2 4.27Å; I96-I102 HydrophobicContact CG2-CG2 3.97Å; Q100-I102 HydrophobicContact CG-CG2 4.29Å; I102-I104 HydrophobicContact CD1-CD1 4.18Å; I102-I104 HydrophobicContact CD1-CG1 3.79Å; I102-I104 HydrophobicContact CG1-CG1 4.33Å; I102-V142 WeakPolarHBondContact O-CA 3.26Å; I102-W143 WeakPolarHBondContact CG1-O 3.37Å; I102-W143 PolarHBondContact N-O 2.75Å; I102-W143 PolarHBondContact O-N 3.09Å; I102-V145 HydrophobicContact CD1-CG2 3.39Å; I102-V145 HydrophobicContact CG1-CG2 3.73Å; I102-V145 HydrophobicContact CG2-CG2 4.26Å; I102-W152 HydrophobicContact CD1-CZ3 3.91Å; I102-F160 HydrophobicContact CD1-CE1 4.31Å
103	R	98.4	Very high	97.9	Very high	7 Å²	7	34.5 Å²	34.5	3%	0.026	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	142	160.1	-77.6	-174.8	167.7	176.4	-3	109	R83 P86 G135 E136 G137 D138 D141	R83-R103 HydrophobicContact CB-CB 4.32Å; R83-R103 PolarHBondContact N-O 2.85Å; R83-R103 PolarHBondContact O-N 3.34Å; P86-R103 VanDerWaalsContact CG-NH1 3.34Å; R103-G135 PolarHBondContact NH1-O 3.49Å; R103-E136 IonicContact NH1-OE2 3.98Å; R103-G137 VanDerWaalsContact NH2-C 3.29Å; R103-G137 PolarHBondContact NH2-O 3.42Å; R103-D138 PolarHBondContact NH2-O 2.84Å; R103-D141 HydrophobicContact CG-CB 4.18Å; R103-D141 IonicContact CZ-OD2 3.81Å; R103-D141 IonicContact NE-OD2 3.66Å; R103-D141 IonicContact NH2-OD2 3.8Å
104	I	98.8	Very high	98.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	103.2	176	-55.8	173.2	0	0	0	106.2	L42 W80 I82 I102 L113 F160	L42-I104 HydrophobicContact CD1-CD1 4.32Å; L42-I104 HydrophobicContact CD1-CG2 4.13Å; W80-I104 HydrophobicContact CB-CG2 3.68Å; W80-I104 HydrophobicContact CD2-CG2 4.06Å; W80-I104 HydrophobicContact CE3-CG2 3.76Å; W80-I104 HydrophobicContact CG-CG2 4.04Å; I82-I104 HydrophobicContact CD1-CG1 4.26Å; I82-I104 HydrophobicContact CD1-CG2 4.39Å; I102-I104 HydrophobicContact CD1-CD1 4.18Å; I102-I104 HydrophobicContact CD1-CG1 3.79Å; I102-I104 HydrophobicContact CG1-CG1 4.33Å; I104-L113 HydrophobicContact CB-CB 4.09Å; I104-L113 HydrophobicContact CB-CD2 4.33Å; I104-L113 HydrophobicContact CD1-CD2 4.06Å; I104-L113 WeakPolarHBondContact O-CB 3.39Å; I104-L113 PolarHBondContact O-N 3.07Å; I104-F160 HydrophobicContact CD1-CD1 3.77Å; I104-F160 HydrophobicContact CD1-CD2 4.43Å; I104-F160 HydrophobicContact CD1-CE1 3.92Å; I104-F160 HydrophobicContact CD1-CG 4.03Å; I104-F160 HydrophobicContact CD1-CZ 4.31Å
105	T	98.8	Very high	98.3	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.031	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124	-170.7	-54.1	0	0	0	0	110.3	W80 Q81 M107 R111 N112	W80-T105 CarbonylContact C-O 3.52Å; W80-T105 WeakPolarHBondContact CA-O 3.35Å; Q81-T105 PolarHBondContact N-O 3.11Å; Q81-T105 PolarHBondContact O-N 3.23Å; T105-M107 PolarHBondContact O-N 2.74Å; T105-R111 CarbonylContact C-O 3.14Å; T105-R111 WeakPolarHBondContact CA-O 3.48Å; T105-N112 PolarHBondContact OG1-OD1 2.96Å
106	H	98.9	Very high	98.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	123.7	176.5	-177.6	-134	0	0	0	109.9	S53 N77 W80 K108 T109 S110 R111	S53-H106 PolarHBondContact O-CE1 3.39Å; S53-H106 PolarHBondContact O-NE2 3Å; N77-H106 PolarHBondContact O-CD2 2.97Å; N77-H106 PolarHBondContact O-NE2 2.9Å; W80-H106 HydrophobicContact CD2-CB 4.35Å; W80-H106 VanDerWaalsContact CE3-CA 3.44Å; W80-H106 HydrophobicContact CE3-CB 3.75Å; W80-H106 VanDerWaalsContact CE3-N 3.26Å; W80-H106 HydrophobicContact CH2-CB 3.86Å; W80-H106 HydrophobicContact CZ2-CB 4.4Å; W80-H106 HydrophobicContact CZ3-CB 3.51Å; H106-K108 PolarHBondContact O-N 2.53Å; H106-T109 PolarHBondContact ND1-OG1 3.37Å; H106-S110 VanDerWaalsContact O-CA 3.26Å; H106-S110 WeakPolarHBondContact O-CA 3.46Å; H106-S110 PolarHBondContact O-N 2.89Å; H106-R111 PolarHBondContact N-O 3.4Å
107	M	98.2	Very high	98.5	Very high	89 Å²	89	39.6 Å²	39.6	44%	0.438	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-44	-169.9	-172.3	-81.3	-88.8	0	0	112.1	L39 Y79 T105	L39-M107 HydrophobicContact CD1-CG 4.44Å; L39-M107 HydrophobicContact CD2-CB 4.17Å; L39-M107 HydrophobicContact CD2-CG 3.9Å; Y79-M107 WeakPolarHBondContact O-CB 3.09Å; Y79-M107 PolarHBondContact O-N 2.75Å; T105-M107 PolarHBondContact O-N 2.74Å
108	K	98.3	Very high	98.5	Very high	136 Å²	136	39 Å²	39	59%	0.591	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-36.8	-171.3	-171.5	178.8	-179	173.3	0	113.9	N77 H106	N77-K108 WeakPolarHBondContact OD1-CD 3.47Å; N77-K108 WeakPolarHBondContact OD1-CE 3.44Å; N77-K108 PolarHBondContact OD1-NZ 3.43Å; H106-K108 PolarHBondContact O-N 2.53Å
109	T	98.5	Very high	98.5	Very high	35 Å²	35	40.9 Å²	40.9	22%	0.215	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-6.3	-177.2	64.3	0	0	0	0	112.6	Q65 H106 R111	Q65-T109 PolarHBondContact OE1-OG1 2.76Å; H106-T109 PolarHBondContact ND1-OG1 3.37Å; T109-R111 WeakPolarHBondContact O-CG 3.41Å; T109-R111 PolarHBondContact O-N 3.47Å; T109-R111 VanDerWaalsContact O-N 3.16Å
110	S	98.3	Very high	98.5	Very high	42 Å²	42	38.6 Å²	38.6	29%	0.294	19%	0.193	S	C	.	.			trans	52.2	33.1	-174.9	-55.6	0	0	0	0	112.8	H106 E133 N134 G135	H106-S110 VanDerWaalsContact O-CA 3.26Å; H106-S110 WeakPolarHBondContact O-CA 3.46Å; H106-S110 PolarHBondContact O-N 2.89Å; S110-E133 CarbonylContact O-C 3.56Å; S110-N134 PolarHBondContact O-N 3.38Å; S110-N134 VanDerWaalsContact O-N 3.16Å; S110-G135 WeakPolarHBondContact O-CA 3.29Å; S110-G135 PolarHBondContact O-N 3.18Å
111	R	98.8	Very high	98.4	Very high	73 Å²	73	38.3 Å²	38.3	28%	0.275	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-102.9	146.9	176.8	-64.5	-163.1	-176.3	-100.7	-2.4	110.4	T105 H106 T109 A130 F131 G132	T105-R111 CarbonylContact C-O 3.14Å; T105-R111 WeakPolarHBondContact CA-O 3.48Å; H106-R111 PolarHBondContact N-O 3.4Å; T109-R111 WeakPolarHBondContact O-CG 3.41Å; T109-R111 PolarHBondContact O-N 3.47Å; T109-R111 VanDerWaalsContact O-N 3.16Å; R111-A130 HydrophobicContact CB-CB 3.83Å; R111-F131 CarbonylContact C-O 3.48Å; R111-F131 WeakPolarHBondContact CA-O 3.31Å; R111-F131 WeakPolarHBondContact CB-O 3.09Å; R111-G132 WeakPolarHBondContact CG-O 3.45Å; R111-G132 PolarHBondContact NH1-O 3.01Å
112	N	98.8	Very high	98.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	143.2	179.3	-62.1	-38.6	0	0	0	110.9	T105 H114 A130 F131 G135 D141	T105-N112 PolarHBondContact OG1-OD1 2.96Å; N112-H114 PolarHBondContact O-N 2.85Å; N112-A130 CarbonylContact O-C 3.59Å; N112-A130 VanDerWaalsContact O-CA 3.3Å; N112-A130 WeakPolarHBondContact O-CA 3.45Å; N112-F131 PolarHBondContact N-O 2.86Å; N112-F131 PolarHBondContact O-N 3.07Å; N112-G135 PolarHBondContact ND2-O 3.22Å; N112-G135 PolarHBondContact OD1-O 2.89Å; N112-D141 HydrophobicContact CB-CB 3.76Å; N112-D141 VanDerWaalsContact CB-CG 3.44Å; N112-D141 WeakPolarHBondContact CB-OD2 3.5Å; N112-D141 PolarHBondContact ND2-OD2 2.85Å
113	L	98.9	Very high	98.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	123	166.2	-173	70.6	0	0	0	108.8	L51 V67 W80 I104 V128 W143 L169	L51-L113 HydrophobicContact CD2-CD1 4.3Å; L51-L113 HydrophobicContact CD2-CD2 4.21Å; V67-L113 HydrophobicContact CG1-CD1 3.9Å; V67-L113 HydrophobicContact CG2-CD1 4.15Å; W80-L113 HydrophobicContact CH2-CD1 4.18Å; W80-L113 HydrophobicContact CZ3-CB 4.05Å; W80-L113 HydrophobicContact CZ3-CD1 4.29Å; I104-L113 HydrophobicContact CB-CB 4.09Å; I104-L113 HydrophobicContact CB-CD2 4.33Å; I104-L113 HydrophobicContact CD1-CD2 4.06Å; I104-L113 WeakPolarHBondContact O-CB 3.39Å; I104-L113 PolarHBondContact O-N 3.07Å; L113-V128 HydrophobicContact CD1-CG1 3.5Å; L113-V128 HydrophobicContact CG-CG1 4.23Å; L113-W143 HydrophobicContact CD2-CD2 4.36Å; L113-W143 HydrophobicContact CD2-CZ2 4.07Å; L113-W143 HydrophobicContact CG-CZ2 3.96Å; L113-W143 PolarHBondContact O-NE1 2.02Å; L113-L169 HydrophobicContact CD1-CD1 4.45Å; L113-L169 HydrophobicContact CD2-CD1 4.07Å; L113-L169 HydrophobicContact CD2-CD2 3.8Å
114	H	98.9	Very high	98.2	Very high	3 Å²	3	47 Å²	47	1%	0.014	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.3	-165.4	-175.9	91.8	0	0	0	110.8	N112 H116 V128 S129 F131 D138 L140 D141	N112-H114 PolarHBondContact O-N 2.85Å; H114-H116 AromaticContact CD2-ND1 3.82Å; H114-H116 AromaticContact NE2-CG 3.97Å; H114-H116 AromaticContact NE2-ND1 3.53Å; H114-V128 WeakPolarHBondContact O-CA 3.2Å; H114-S129 PolarHBondContact N-O 2.58Å; H114-S129 PolarHBondContact O-N 2.87Å; H114-F131 HydrophobicContact CB-CB 3.46Å; H114-F131 VanDerWaalsContact CB-CB 3.46Å; H114-F131 AromaticContact CE1-CD1 3.6Å; H114-F131 AromaticContact CE1-CG 3.91Å; H114-F131 VanDerWaalsContact CG-CB 3.43Å; H114-F131 AromaticContact CG-CG 4Å; H114-F131 AromaticContact ND1-CD1 3.55Å; H114-F131 AromaticContact ND1-CG 3.81Å; H114-D138 IonicContact CE1-OD1 3.32Å; H114-D138 PolarHBondContact CE1-OD1 2.95Å; H114-D138 VanDerWaalsContact CE1-OD1 3.32Å; H114-D138 IonicContact CE1-OD2 3.75Å; H114-D138 IonicContact ND1-OD1 3.16Å; H114-L140 VanDerWaalsContact CE1-CB 3.42Å; H114-L140 WeakPolarHBondContact CE1-CB 3.37Å; H114-L140 PolarHBondContact ND1-O 3.4Å; H114-D141 IonicContact CE1-OD1 3.7Å; H114-D141 IonicContact CG-OD1 3.81Å; H114-D141 IonicContact ND1-OD1 3.56Å; H114-D141 PolarHBondContact ND1-OD1 2.93Å
115	T	98.8	Very high	98.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	152.3	170.3	-168.7	0	0	0	0	112.1	Q126 E127 L140 W143 H162 V167	T115-Q126 PolarHBondContact OG1-NE2 3.05Å; T115-E127 WeakPolarHBondContact CB-O 3.38Å; T115-E127 PolarHBondContact OG1-O 3.25Å; T115-L140 PolarHBondContact N-O 3.25Å; T115-W143 HydrophobicContact CG2-CH2 3.59Å; T115-W143 HydrophobicContact CG2-CZ2 3.69Å; T115-W143 HydrophobicContact CG2-CZ3 4.48Å; T115-H162 HydrophobicContact CG2-CB 3.67Å; T115-H162 WeakPolarHBondContact CG2-ND1 3.32Å; T115-H162 PolarHBondContact O-CE1 2.95Å; T115-H162 VanDerWaalsContact O-CE1 3.28Å; T115-V167 HydrophobicContact CG2-CG2 4.03Å
116	H	98.4	Very high	98.2	Very high	16 Å²	16	50.8 Å²	50.8	7%	0.074	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	177.3	-167.6	51	-169.2	0	0	0	110.1	S62 Q64 H114 F118 Q126 E127 L140	S62-H116 WeakPolarHBondContact CB-CE1 3.25Å; S62-H116 PolarHBondContact OG-CE1 3.02Å; Q64-H116 PolarHBondContact NE2-CE1 3.32Å; Q64-H116 PolarHBondContact OE1-CE1 3.11Å; H114-H116 AromaticContact CD2-ND1 3.82Å; H114-H116 AromaticContact NE2-CG 3.97Å; H114-H116 AromaticContact NE2-ND1 3.53Å; H116-F118 HydrophobicContact CB-CD2 4.48Å; H116-F118 AromaticContact CD2-CD2 3.64Å; H116-F118 AromaticContact CE1-CD2 3.68Å; H116-F118 AromaticContact CG-CD2 3.67Å; H116-F118 AromaticContact ND1-CD2 3.66Å; H116-F118 AromaticContact ND1-CE2 4Å; H116-F118 AromaticContact NE2-CD2 3.65Å; H116-F118 PolarHBondContact O-N 3.26Å; H116-Q126 VanDerWaalsContact O-CD 3.27Å; H116-Q126 WeakPolarHBondContact O-CG 3.48Å; H116-Q126 PolarHBondContact O-NE2 2.86Å; H116-E127 IonicContact CD2-OE1 3.81Å; H116-E127 IonicContact CE1-OE1 3.52Å; H116-E127 IonicContact NE2-OE1 2.72Å; H116-E127 PolarHBondContact NE2-OE1 2.81Å; H116-L140 HydrophobicContact CB-CD1 4.15Å
117	H	98.3	Very high	98.2	Very high	156 Å²	156	50.8 Å²	50.8	72%	0.722	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	55.6	-176.4	-62.3	-56.2	0	0	0	113.8
118	F	98.6	Very high	98.2	Very high	99 Å²	99	46.6 Å²	46.6	43%	0.434	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	150	166.8	-76.5	-90.3	0	0	0	110.2	H116 E127	H116-F118 HydrophobicContact CB-CD2 4.48Å; H116-F118 AromaticContact CD2-CD2 3.64Å; H116-F118 AromaticContact CE1-CD2 3.68Å; H116-F118 AromaticContact CG-CD2 3.67Å; H116-F118 AromaticContact ND1-CD2 3.66Å; H116-F118 AromaticContact ND1-CE2 4Å; H116-F118 AromaticContact NE2-CD2 3.65Å; H116-F118 PolarHBondContact O-N 3.26Å; F118-E127 HydrophobicContact CB-CB 3.97Å; F118-E127 WeakPolarHBondContact O-CB 3.21Å; F118-E127 PolarHBondContact O-N 3.43Å
119	S	98.4	Very high	98.3	Very high	70 Å²	70	40.1 Å²	40.1	49%	0.49	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	136.6	173.8	-62.7	0	0	0	0	111.2	N125	S119-N125 CarbonylContact C-O 3.6Å; S119-N125 VanDerWaalsContact CA-O 3.31Å; S119-N125 WeakPolarHBondContact CA-O 3.37Å
120	S	98.1	Very high	98.3	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.007	20%	0.202	C	C	.	.			trans	-67.6	147.8	175.4	81.5	0	0	0	0	110.8	L122 S123 N124 N125 E185	S120-L122 PolarHBondContact O-N 2.82Å; S120-S123 PolarHBondContact OG-OG 3.46Å; S120-N124 PolarHBondContact O-N 2.76Å; S120-N124 PolarHBondContact OG-N 2.96Å; S120-N125 PolarHBondContact N-O 3.32Å; S120-N125 PolarHBondContact OG-N 2.78Å; S120-N125 VanDerWaalsContact OG-N 3.11Å; S120-E185 WeakPolarHBondContact CB-OE1 3.45Å; S120-E185 PolarHBondContact OG-OE1 3.11Å
121	P	96.8	Very high	98.3	Very high	34 Å²	34	39.4 Å²	39.4	22%	0.221	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-28.8	-166.5	-25.3	34.8	0	0	0	116.6	Y58 Y176 E185	Y58-P121 HydrophobicContact CD1-CG 3.49Å; Y58-P121 VanDerWaalsContact CD1-CG 3.49Å; Y58-P121 HydrophobicContact CE1-CG 3.7Å; Y58-P121 HydrophobicContact CG-CG 3.97Å; P121-Y176 HydrophobicContact CB-CE1 4.02Å; P121-Y176 HydrophobicContact CG-CE1 4.33Å; P121-E185 WeakPolarHBondContact CD-OE1 3.37Å; P121-E185 VanDerWaalsContact N-OE1 3.15Å
122	L	97.6	Very high	98.2	Very high	71 Å²	71	36.5 Å²	36.5	37%	0.372	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-41	-172.7	-51.7	-174.9	0	0	0	113.1	S120 E174 Y176 E185	S120-L122 PolarHBondContact O-N 2.82Å; L122-E174 HydrophobicContact CB-CB 3.92Å; L122-E174 HydrophobicContact CB-CG 4.31Å; L122-E174 HydrophobicContact CD1-CB 3.81Å; L122-Y176 HydrophobicContact CD1-CD1 3.83Å; L122-Y176 HydrophobicContact CD1-CD2 4.37Å; L122-Y176 HydrophobicContact CD1-CE1 3.84Å; L122-Y176 HydrophobicContact CD1-CE2 4.39Å; L122-Y176 HydrophobicContact CD1-CG 4.09Å; L122-Y176 HydrophobicContact CD2-CD1 3.99Å; L122-Y176 HydrophobicContact CD2-CE1 3.93Å; L122-Y176 HydrophobicContact CG-CD1 4.07Å; L122-Y176 HydrophobicContact CG-CE1 3.72Å; L122-E185 HydrophobicContact CD1-CB 4.09Å; L122-E185 HydrophobicContact CG-CB 4.45Å; L122-E185 PolarHBondContact N-OE1 3.41Å
123	S	96.6	Very high	98.1	Very high	28 Å²	28	42.7 Å²	42.7	20%	0.196	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-0.5	-173.7	61.4	0	0	0	0	115	S120 N125 E185	S120-S123 PolarHBondContact OG-OG 3.46Å; S123-N125 WeakPolarHBondContact CB-ND2 3.44Å; S123-N125 PolarHBondContact O-N 2.78Å; S123-N125 PolarHBondContact OG-ND2 2.68Å; S123-E185 WeakPolarHBondContact CB-OE2 3.46Å; S123-E185 PolarHBondContact N-OE1 3.36Å; S123-E185 PolarHBondContact N-OE2 3.35Å; S123-E185 VanDerWaalsContact N-OE2 3.09Å; S123-E185 PolarHBondContact OG-OE2 3.45Å
124	N	96.3	Very high	97.9	Very high	128 Å²	128	48.4 Å²	48.4	68%	0.684	25%	0.253	S	S	*	.			trans	56.3	24.7	-175.9	-60.2	-55	0	0	0	114.2	S120	S120-N124 PolarHBondContact O-N 2.76Å; S120-N124 PolarHBondContact OG-N 2.96Å
125	N	98.1	Very high	97.6	Very high	60 Å²	60	48.3 Å²	48.3	32%	0.321	25%	0.253	S	S	.	.	S	Bend	trans	-77.9	-164.7	167.4	-76.1	-68.6	0	0	0	109.9	S119 S120 S123 H187	S119-N125 CarbonylContact C-O 3.6Å; S119-N125 VanDerWaalsContact CA-O 3.31Å; S119-N125 WeakPolarHBondContact CA-O 3.37Å; S120-N125 PolarHBondContact N-O 3.32Å; S120-N125 PolarHBondContact OG-N 2.78Å; S120-N125 VanDerWaalsContact OG-N 3.11Å; S123-N125 WeakPolarHBondContact CB-ND2 3.44Å; S123-N125 PolarHBondContact O-N 2.78Å; S123-N125 PolarHBondContact OG-ND2 2.68Å; N125-H187 HydrophobicContact CB-CB 4Å; N125-H187 WeakPolarHBondContact CB-ND1 3.31Å; N125-H187 VanDerWaalsContact CG-ND1 3.28Å; N125-H187 PolarHBondContact ND2-CE1 2.9Å; N125-H187 PolarHBondContact ND2-ND1 2.85Å
126	Q	98.7	Very high	97.5	Very high	26 Å²	26	53.4 Å²	53.4	12%	0.121	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	130.2	175.1	-163.9	174.8	-66.8	0	0	110.9	T115 H116 V128 T165 V167 H187 G188	T115-Q126 PolarHBondContact OG1-NE2 3.05Å; H116-Q126 VanDerWaalsContact O-CD 3.27Å; H116-Q126 WeakPolarHBondContact O-CG 3.48Å; H116-Q126 PolarHBondContact O-NE2 2.86Å; Q126-V128 PolarHBondContact O-N 3.2Å; Q126-T165 PolarHBondContact NE2-OG1 3.01Å; Q126-V167 HydrophobicContact CB-CG1 4.22Å; Q126-H187 CarbonylContact O-C 3.54Å; Q126-H187 WeakPolarHBondContact O-CA 3.49Å; Q126-H187 WeakPolarHBondContact O-CB 3.16Å; Q126-G188 PolarHBondContact N-O 2.94Å; Q126-G188 PolarHBondContact O-N 3.13Å
127	E	98.9	Very high	97.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	131.6	-179.9	-168.3	-167.2	85.6	0	0	111.2	Y58 G61 S62 T115 H116 F118	Y58-E127 HydrophobicContact CD2-CG 3.99Å; Y58-E127 HydrophobicContact CE2-CG 3.69Å; G61-E127 WeakPolarHBondContact CA-OE2 3.19Å; S62-E127 VanDerWaalsContact CB-OE1 3.23Å; S62-E127 WeakPolarHBondContact CB-OE1 2.95Å; S62-E127 PolarHBondContact N-OE2 2.84Å; S62-E127 PolarHBondContact OG-OE1 3.45Å; S62-E127 PolarHBondContact OG-OE2 3.3Å; T115-E127 WeakPolarHBondContact CB-O 3.38Å; T115-E127 PolarHBondContact OG1-O 3.25Å; H116-E127 IonicContact CD2-OE1 3.81Å; H116-E127 IonicContact CE1-OE1 3.52Å; H116-E127 IonicContact NE2-OE1 2.72Å; H116-E127 PolarHBondContact NE2-OE1 2.81Å; F118-E127 HydrophobicContact CB-CB 3.97Å; F118-E127 WeakPolarHBondContact O-CB 3.21Å; F118-E127 PolarHBondContact O-N 3.43Å
128	V	98.9	Very high	97.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	130.5	166.8	172.8	0	0	0	0	108.3	Y58 V67 L113 H114 Q126 W143 L169 V186 H187	Y58-V128 WeakPolarHBondContact CE2-O 3.47Å; Y58-V128 PolarHBondContact OH-O 2.87Å; V67-V128 HydrophobicContact CB-CG1 4.32Å; V67-V128 HydrophobicContact CG1-CG1 4.29Å; L113-V128 HydrophobicContact CD1-CG1 3.5Å; L113-V128 HydrophobicContact CG-CG1 4.23Å; H114-V128 WeakPolarHBondContact O-CA 3.2Å; Q126-V128 PolarHBondContact O-N 3.2Å; V128-W143 HydrophobicContact CG2-CH2 4.17Å; V128-L169 HydrophobicContact CB-CD1 4.49Å; V128-L169 HydrophobicContact CG1-CD1 3.83Å; V128-L169 HydrophobicContact CG2-CD1 4.11Å; V128-V186 HydrophobicContact CB-CG1 4.14Å; V128-V186 HydrophobicContact CG1-CG1 3.97Å; V128-H187 VanDerWaalsContact CG2-C 3.45Å
129	S	98.9	Very high	97.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	174.3	-173.7	61.2	0	0	0	0	111	Q64 Q65 H114	Q64-S129 PolarHBondContact OE1-OG 3.18Å; Q65-S129 WeakPolarHBondContact O-CA 3.19Å; Q65-S129 WeakPolarHBondContact O-CB 3.25Å; H114-S129 PolarHBondContact N-O 2.58Å; H114-S129 PolarHBondContact O-N 2.87Å
130	A	98.8	Very high	97.1	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.008	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	117.5	166.4	0	0	0	0	0	108.9	Q65 V67 R111 N112	Q65-A130 HydrophobicContact CB-CB 4.05Å; Q65-A130 WeakPolarHBondContact CB-O 3.41Å; Q65-A130 HydrophobicContact CG-CB 4.01Å; Q65-A130 PolarHBondContact O-N 3.44Å; V67-A130 HydrophobicContact CG2-CB 3.88Å; R111-A130 HydrophobicContact CB-CB 3.83Å; N112-A130 CarbonylContact O-C 3.59Å; N112-A130 VanDerWaalsContact O-CA 3.3Å; N112-A130 WeakPolarHBondContact O-CA 3.45Å
131	F	98.7	Very high	97.1	Very high	61 Å²	61	50.5 Å²	50.5	27%	0.268	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	165	-171.3	-179.4	-107.2	0	0	0	112.5	Q64 R111 N112 H114	Q64-F131 HydrophobicContact CG-CD2 4.33Å; Q64-F131 VanDerWaalsContact NE2-CD2 3.26Å; R111-F131 CarbonylContact C-O 3.48Å; R111-F131 WeakPolarHBondContact CA-O 3.31Å; R111-F131 WeakPolarHBondContact CB-O 3.09Å; N112-F131 PolarHBondContact N-O 2.86Å; N112-F131 PolarHBondContact O-N 3.07Å; H114-F131 HydrophobicContact CB-CB 3.46Å; H114-F131 VanDerWaalsContact CB-CB 3.46Å; H114-F131 AromaticContact CE1-CD1 3.6Å; H114-F131 AromaticContact CE1-CG 3.91Å; H114-F131 VanDerWaalsContact CG-CB 3.43Å; H114-F131 AromaticContact CG-CG 4Å; H114-F131 AromaticContact ND1-CD1 3.55Å; H114-F131 AromaticContact ND1-CG 3.81Å
132	G	97.8	Very high	97.2	Very high	12 Å²	12	49.2 Å²	49.2	12%	0.124	27%	0.265	C	S	.	.	S	Bend	trans	77.5	-166.2	176.6	0	0	0	0	0	113.5	R111 E136	R111-G132 WeakPolarHBondContact CG-O 3.45Å; R111-G132 PolarHBondContact NH1-O 3.01Å; G132-E136 CarbonylContact C-O 3.44Å; G132-E136 WeakPolarHBondContact CA-O 3.33Å
133	E	96.3	Very high	97.3	Very high	130 Å²	130	45.8 Å²	45.8	61%	0.607	25%	0.247	S	C	*	.	B	Isolated β-bridge	trans	-153.4	141.8	-175.6	-170.8	172.5	-173	0	0	110.2	S110 G135 E136	S110-E133 CarbonylContact O-C 3.56Å; E133-G135 PolarHBondContact O-N 2.98Å; E133-G135 VanDerWaalsContact O-N 3.1Å; E133-E136 PolarHBondContact N-O 3.16Å; E133-E136 WeakPolarHBondContact O-CA 2.88Å; E133-E136 WeakPolarHBondContact O-CB 3.34Å; E133-E136 PolarHBondContact O-N 3.39Å
134	N	94.9	Very high	97.4	Very high	121 Å²	121	46.1 Å²	46.1	65%	0.647	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	29.5	-179.6	-60	-42	0	0	0	114.4	S110 E136	S110-N134 PolarHBondContact O-N 3.38Å; S110-N134 VanDerWaalsContact O-N 3.16Å; N134-E136 PolarHBondContact O-N 3.28Å
135	G	92.6	Very high	97.5	Very high	1 Å²	1	40 Å²	40	1%	0.01	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	3.6	-176.9	0	0	0	0	0	114	R83 R103 S110 N112 E133	R83-G135 PolarHBondContact NH1-O 3.23Å; R83-G135 VanDerWaalsContact NH1-O 3.08Å; R103-G135 PolarHBondContact NH1-O 3.49Å; S110-G135 WeakPolarHBondContact O-CA 3.29Å; S110-G135 PolarHBondContact O-N 3.18Å; N112-G135 PolarHBondContact ND2-O 3.22Å; N112-G135 PolarHBondContact OD1-O 2.89Å; E133-G135 PolarHBondContact O-N 2.98Å; E133-G135 VanDerWaalsContact O-N 3.1Å
136	E	95.6	Very high	97.5	Very high	106 Å²	106	40.7 Å²	40.7	50%	0.495	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-93.3	148.8	172.1	-59.1	-50.1	135	0	0	110.8	R83 R103 G132 E133 N134	R83-E136 IonicContact NH2-OE1 2.75Å; R103-E136 IonicContact NH1-OE2 3.98Å; G132-E136 CarbonylContact C-O 3.44Å; G132-E136 WeakPolarHBondContact CA-O 3.33Å; E133-E136 PolarHBondContact N-O 3.16Å; E133-E136 WeakPolarHBondContact O-CA 2.88Å; E133-E136 WeakPolarHBondContact O-CB 3.34Å; E133-E136 PolarHBondContact O-N 3.39Å; N134-E136 PolarHBondContact O-N 3.28Å
137	G	95.2	Very high	97.5	Very high	33 Å²	33	40.6 Å²	40.6	34%	0.34	22%	0.218	S	C	.	.			trans	174.5	-157.2	-174.3	0	0	0	0	0	108.5	R103 D141	R103-G137 VanDerWaalsContact NH2-C 3.29Å; R103-G137 PolarHBondContact NH2-O 3.42Å; G137-D141 VanDerWaalsContact C-OD2 3.32Å; G137-D141 WeakPolarHBondContact CA-OD2 3.34Å
138	D	96.4	Very high	97.2	Very high	63 Å²	63	47.7 Å²	47.7	34%	0.337	26%	0.256	S	S	.	.			trans	-110.8	-166.6	-170.6	63	31.1	0	0	0	113.3	R103 H114 L140 D141	R103-D138 PolarHBondContact NH2-O 2.84Å; H114-D138 IonicContact CE1-OD1 3.32Å; H114-D138 PolarHBondContact CE1-OD1 2.95Å; H114-D138 VanDerWaalsContact CE1-OD1 3.32Å; H114-D138 IonicContact CE1-OD2 3.75Å; H114-D138 IonicContact ND1-OD1 3.16Å; D138-L140 PolarHBondContact O-N 2.83Å; D138-L140 WeakPolarHBondContact OD1-CA 3.27Å; D138-L140 VanDerWaalsContact OD1-CB 3.27Å; D138-L140 WeakPolarHBondContact OD1-CB 3.43Å; D138-L140 PolarHBondContact OD1-N 3.5Å; D138-D141 PolarHBondContact N-OD2 3.46Å; D138-D141 VanDerWaalsContact N-OD2 3.13Å; D138-D141 WeakPolarHBondContact O-CB 3.4Å; D138-D141 PolarHBondContact O-N 2.94Å
139	D	96.2	Very high	96.9	Very high	127 Å²	127	51 Å²	51	68%	0.679	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-73.5	-12	-179.4	-72.8	-31.4	0	0	0	113.1	D141	D139-D141 PolarHBondContact O-N 3.3Å
140	L	98.2	Very high	96.7	Very high	58 Å²	58	57 Å²	57	30%	0.304	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-86.9	9.4	175.5	-54.7	178.4	0	0	0	112.8	H114 T115 H116 D138 H162	H114-L140 VanDerWaalsContact CE1-CB 3.42Å; H114-L140 WeakPolarHBondContact CE1-CB 3.37Å; H114-L140 PolarHBondContact ND1-O 3.4Å; T115-L140 PolarHBondContact N-O 3.25Å; H116-L140 HydrophobicContact CB-CD1 4.15Å; D138-L140 PolarHBondContact O-N 2.83Å; D138-L140 WeakPolarHBondContact OD1-CA 3.27Å; D138-L140 VanDerWaalsContact OD1-CB 3.27Å; D138-L140 WeakPolarHBondContact OD1-CB 3.43Å; D138-L140 PolarHBondContact OD1-N 3.5Å; L140-H162 VanDerWaalsContact C-NE2 3.32Å; L140-H162 WeakPolarHBondContact CA-NE2 3.34Å; L140-H162 PolarHBondContact O-NE2 3.17Å
141	D	98.6	Very high	96.6	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-92.7	-0.9	169.6	-64.1	-21.4	0	0	0	112.7	R103 N112 H114 G137 D138 D139 W143	R103-D141 HydrophobicContact CG-CB 4.18Å; R103-D141 IonicContact CZ-OD2 3.81Å; R103-D141 IonicContact NE-OD2 3.66Å; R103-D141 IonicContact NH2-OD2 3.8Å; N112-D141 HydrophobicContact CB-CB 3.76Å; N112-D141 VanDerWaalsContact CB-CG 3.44Å; N112-D141 WeakPolarHBondContact CB-OD2 3.5Å; N112-D141 PolarHBondContact ND2-OD2 2.85Å; H114-D141 IonicContact CE1-OD1 3.7Å; H114-D141 IonicContact CG-OD1 3.81Å; H114-D141 IonicContact ND1-OD1 3.56Å; H114-D141 PolarHBondContact ND1-OD1 2.93Å; G137-D141 VanDerWaalsContact C-OD2 3.32Å; G137-D141 WeakPolarHBondContact CA-OD2 3.34Å; D138-D141 PolarHBondContact N-OD2 3.46Å; D138-D141 VanDerWaalsContact N-OD2 3.13Å; D138-D141 WeakPolarHBondContact O-CB 3.4Å; D138-D141 PolarHBondContact O-N 2.94Å; D139-D141 PolarHBondContact O-N 3.3Å; D141-W143 VanDerWaalsContact O-CD1 3.31Å
142	V	98.6	Very high	96.6	Very high	7 Å²	7	57.7 Å²	57.7	4%	0.042	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.1	-165.8	-172.1	0	0	0	0	111.4	K85 P101 I102 H162 V163	K85-V142 HydrophobicContact CB-CG1 4.13Å; K85-V142 HydrophobicContact CB-CG2 4.24Å; P101-V142 HydrophobicContact CB-CG1 3.65Å; I102-V142 WeakPolarHBondContact O-CA 3.26Å; V142-H162 PolarHBondContact O-CD2 2.87Å; V142-V163 HydrophobicContact CB-CB 4.36Å; V142-V163 HydrophobicContact CB-CG2 4.28Å; V142-V163 HydrophobicContact CG1-CB 4.35Å; V142-V163 HydrophobicContact CG1-CG2 3.8Å; V142-V163 WeakPolarHBondContact O-CB 3.24Å; V142-V163 WeakPolarHBondContact O-CG2 3.27Å; V142-V163 PolarHBondContact O-N 2.84Å
143	W	98.8	Very high	96.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.5	-179.8	-58.6	79.5	0	0	0	110.4	P101 I102 L113 T115 V128 D141 F160 H162 L169	P101-W143 CarbonylContact C-O 3.48Å; P101-W143 WeakPolarHBondContact CA-O 3.45Å; I102-W143 WeakPolarHBondContact CG1-O 3.37Å; I102-W143 PolarHBondContact N-O 2.75Å; I102-W143 PolarHBondContact O-N 3.09Å; L113-W143 HydrophobicContact CD2-CD2 4.36Å; L113-W143 HydrophobicContact CD2-CZ2 4.07Å; L113-W143 HydrophobicContact CG-CZ2 3.96Å; L113-W143 PolarHBondContact O-NE1 2.02Å; T115-W143 HydrophobicContact CG2-CH2 3.59Å; T115-W143 HydrophobicContact CG2-CZ2 3.69Å; T115-W143 HydrophobicContact CG2-CZ3 4.48Å; V128-W143 HydrophobicContact CG2-CH2 4.17Å; D141-W143 VanDerWaalsContact O-CD1 3.31Å; W143-F160 HydrophobicContact CB-CB 4.28Å; W143-F160 HydrophobicContact CD2-CB 4.46Å; W143-F160 HydrophobicContact CE3-CB 3.91Å; W143-H162 HydrophobicContact CD2-CB 4.28Å; W143-H162 AromaticContact CE2-CD2 3.94Å; W143-H162 HydrophobicContact CE3-CB 3.77Å; W143-H162 HydrophobicContact CH2-CB 4Å; W143-H162 HydrophobicContact CZ2-CB 4.47Å; W143-H162 HydrophobicContact CZ3-CB 3.62Å; W143-L169 HydrophobicContact CE3-CB 4.35Å; W143-L169 HydrophobicContact CH2-CB 4.33Å; W143-L169 HydrophobicContact CH2-CD1 4.23Å; W143-L169 HydrophobicContact CZ3-CB 3.82Å
144	T	98.7	Very high	96.3	Very high	34 Å²	34	55.3 Å²	55.3	21%	0.209	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	125.3	170.9	-65.9	0	0	0	0	109.6	Q146 K161 V163	T144-Q146 HydrophobicContact CG2-CG 4.45Å; T144-Q146 PolarHBondContact O-N 2.87Å; T144-K161 PolarHBondContact N-O 2.73Å; T144-K161 PolarHBondContact O-N 2.54Å; T144-V163 WeakPolarHBondContact OG1-CG2 3.15Å
145	V	98.6	Very high	96.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	116	171.4	-171.4	0	0	0	0	108.9	I96 G99 Q100 I102 W152 V158 F160	I96-V145 HydrophobicContact CG2-CG2 4.03Å; G99-V145 WeakPolarHBondContact CA-O 3.37Å; G99-V145 PolarHBondContact N-O 3.19Å; Q100-V145 PolarHBondContact O-N 3.09Å; Q100-V145 VanDerWaalsContact O-N 3.13Å; I102-V145 HydrophobicContact CD1-CG2 3.39Å; I102-V145 HydrophobicContact CG1-CG2 3.73Å; I102-V145 HydrophobicContact CG2-CG2 4.26Å; V145-W152 HydrophobicContact CG1-CB 4.16Å; V145-W152 HydrophobicContact CG1-CD2 3.78Å; V145-W152 HydrophobicContact CG1-CE3 3.87Å; V145-W152 HydrophobicContact CG1-CG 3.92Å; V145-W152 HydrophobicContact CG2-CE3 3.89Å; V145-W152 HydrophobicContact CG2-CZ3 4.08Å; V145-V158 HydrophobicContact CG1-CB 4.4Å; V145-F160 HydrophobicContact CG1-CE1 4.37Å; V145-F160 HydrophobicContact CG2-CD1 4.3Å; V145-F160 HydrophobicContact CG2-CE1 4.11Å
146	Q	98.5	Very high	96.3	Very high	75 Å²	75	59.7 Å²	59.7	35%	0.35	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	111.6	172.4	-64.4	-166.6	-12	0	0	109.3	T144 V158 R159 K161	T144-Q146 HydrophobicContact CG2-CG 4.45Å; T144-Q146 PolarHBondContact O-N 2.87Å; Q146-V158 CarbonylContact O-C 3.53Å; Q146-V158 WeakPolarHBondContact O-CA 3.49Å; Q146-V158 WeakPolarHBondContact O-CB 3.49Å; Q146-R159 HydrophobicContact CB-CB 4.19Å; Q146-R159 PolarHBondContact N-O 2.97Å; Q146-R159 PolarHBondContact O-N 2.87Å; Q146-K161 HydrophobicContact CG-CB 4.33Å
147	C	97.4	Very high	96.4	Very high	24 Å²	24	56.3 Å²	56.3	16%	0.162	31%	0.314	C	S	.	.			trans	-141.7	163.2	179.8	45.7	0	0	0	0	110.2	C98 V158	C98-C147 WeakPolarHBondContact CA-SG 3.07Å; C98-C147 HydrophobicContact CB-CB 4.23Å; C98-C147 WeakPolarHBondContact CB-O 3.37Å; C98-C147 WeakPolarHBondContact CB-SG 3.41Å; C98-C147 VanDerWaalsContact SG-C 3.5Å; C98-C147 WeakPolarHBondContact SG-CB 3.4Å; C98-C147 PolarHBondContact SG-O 2.98Å; C98-C147 VanDerWaalsContact SG-O 3.39Å; C98-C147 CovalentContact SG-SG 2.03Å; C98-C147 PolarHBondContact SG-SG 2.82Å; C147-V158 HydrophobicContact CB-CB 4.26Å; C147-V158 HydrophobicContact CB-CG1 3.54Å
148	D	92.8	Very high	96.6	Very high	149 Å²	149	54.9 Å²	54.9	80%	0.797	30%	0.298	S	S	*	.	S	Bend	trans	-81.8	151.5	171.9	-63.3	-33.3	0	0	0	110.1	C98	C98-D148 PolarHBondContact SG-O 3.18Å; C98-D148 VanDerWaalsContact SG-O 3.39Å
149	G	93.3	Very high	96.7	Very high	69 Å²	69	54.9 Å²	54.9	71%	0.711	29%	0.294	S	S	*	.	S	Bend	trans	83.5	-154.2	-179.2	0	0	0	0	0	114.3
150	I	95.4	Very high	96.8	Very high	126 Å²	126	48.8 Å²	48.8	65%	0.646	26%	0.261	S	S	*	.	S	Bend	trans	-96.8	-38.6	-172.9	-57.7	176.2	0	0	0	111.3	K97 C98	K97-I150 WeakPolarHBondContact CA-O 3.19Å; C98-I150 PolarHBondContact N-O 3.28Å
151	Y	96.9	Very high	96.8	Very high	76 Å²	76	48.7 Å²	48.7	30%	0.298	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-127.6	156.2	-175.5	-61.8	-73.3	0	0	0	110.5	Y33 A95 I96 K97 C98 D153	Y33-Y151 VanDerWaalsContact CD1-CB 3.46Å; Y33-Y151 HydrophobicContact CD1-CG 4.45Å; Y33-Y151 HydrophobicContact CD2-CD2 4.45Å; Y33-Y151 HydrophobicContact CE1-CD2 4.45Å; Y33-Y151 HydrophobicContact CE2-CD2 4.22Å; Y33-Y151 HydrophobicContact CG-CG 4.42Å; A95-Y151 HydrophobicContact CB-CD1 3.57Å; A95-Y151 HydrophobicContact CB-CE1 3.86Å; A95-Y151 HydrophobicContact CB-CG 4.07Å; I96-Y151 CarbonylContact O-C 3.57Å; I96-Y151 WeakPolarHBondContact O-CA 3.43Å; K97-Y151 HydrophobicContact CB-CD1 4.42Å; K97-Y151 HydrophobicContact CD-CE1 4.34Å; K97-Y151 HydrophobicContact CG-CD1 3.69Å; K97-Y151 HydrophobicContact CG-CE1 3.49Å; K97-Y151 VanDerWaalsContact CG-CE1 3.49Å; C98-Y151 VanDerWaalsContact SG-C 3.56Å; C98-Y151 PolarHBondContact SG-O 3.32Å; Y151-D153 PolarHBondContact O-N 2.95Å
152	W	97.2	Very high	96.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.258	C	S	.	.			trans	-68.7	98.6	174.1	-178.9	3.7	0	0	0	110	Y33 V34 L42 I82 I96 I102 V145 V158 F160 T200	Y33-W152 CarbonylContact C-O 3.55Å; Y33-W152 VanDerWaalsContact CA-O 3.27Å; Y33-W152 WeakPolarHBondContact CA-O 3.45Å; V34-W152 HydrophobicContact CB-CB 4.37Å; V34-W152 HydrophobicContact CB-CD2 3.76Å; V34-W152 HydrophobicContact CB-CE3 3.81Å; V34-W152 HydrophobicContact CB-CG 4.02Å; V34-W152 HydrophobicContact CB-CZ3 4.37Å; V34-W152 HydrophobicContact CG1-CD2 4.2Å; V34-W152 HydrophobicContact CG1-CE3 3.81Å; V34-W152 HydrophobicContact CG1-CH2 4.35Å; V34-W152 HydrophobicContact CG1-CZ3 3.89Å; V34-W152 HydrophobicContact CG2-CD2 3.63Å; V34-W152 HydrophobicContact CG2-CE3 4.13Å; V34-W152 HydrophobicContact CG2-CG 3.82Å; V34-W152 HydrophobicContact CG2-CZ2 4.24Å; V34-W152 PolarHBondContact N-O 2.78Å; L42-W152 HydrophobicContact CD2-CH2 4.11Å; L42-W152 HydrophobicContact CD2-CZ2 3.94Å; I82-W152 HydrophobicContact CD1-CH2 3.91Å; I82-W152 HydrophobicContact CD1-CZ3 3.96Å; I82-W152 HydrophobicContact CG1-CH2 4.39Å; I82-W152 HydrophobicContact CG1-CZ3 4.15Å; I82-W152 HydrophobicContact CG2-CZ3 4.23Å; I96-W152 HydrophobicContact CB-CB 4.38Å; I96-W152 HydrophobicContact CB-CE3 4.27Å; I96-W152 HydrophobicContact CG2-CE3 4.04Å; I96-W152 PolarHBondContact O-N 3.28Å; I102-W152 HydrophobicContact CD1-CZ3 3.91Å; V145-W152 HydrophobicContact CG1-CB 4.16Å; V145-W152 HydrophobicContact CG1-CD2 3.78Å; V145-W152 HydrophobicContact CG1-CE3 3.87Å; V145-W152 HydrophobicContact CG1-CG 3.92Å; V145-W152 HydrophobicContact CG2-CE3 3.89Å; V145-W152 HydrophobicContact CG2-CZ3 4.08Å; W152-V158 HydrophobicContact CG-CG1 4.24Å; W152-V158 HydrophobicContact CZ2-CG2 3.98Å; W152-F160 AromaticContact CH2-CE1 3.5Å; W152-F160 HydrophobicContact CH2-CE1 3.5Å; W152-F160 AromaticContact CH2-CZ 3.42Å; W152-F160 HydrophobicContact CH2-CZ 3.42Å; W152-F160 VanDerWaalsContact CH2-CZ 3.42Å; W152-F160 AromaticContact CZ2-CE1 3.86Å; W152-F160 HydrophobicContact CZ2-CE1 3.86Å; W152-F160 AromaticContact CZ2-CZ 3.46Å; W152-F160 HydrophobicContact CZ2-CZ 3.46Å; W152-F160 VanDerWaalsContact CZ2-CZ 3.46Å; W152-F160 AromaticContact CZ3-CE1 3.98Å; W152-F160 HydrophobicContact CZ3-CE1 3.98Å; W152-F160 HydrophobicContact CZ3-CZ 4.34Å; W152-T200 HydrophobicContact CH2-CG2 4.11Å; W152-T200 HydrophobicContact CZ2-CG2 3.37Å
153	D	95.5	Very high	96.8	Very high	44 Å²	44	51.8 Å²	51.8	24%	0.235	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-69.5	141.2	173.1	-163.9	-61.1	0	0	0	111.2	N32 Y33 Y151 D155 E156	N32-D153 CarbonylContact O-C 3.6Å; N32-D153 WeakPolarHBondContact O-CA 3.31Å; Y33-D153 HydrophobicContact CD1-CB 4.42Å; Y151-D153 PolarHBondContact O-N 2.95Å; D153-D155 PolarHBondContact OD1-N 3.31Å; D153-E156 HydrophobicContact CB-CB 4.11Å; D153-E156 HydrophobicContact CB-CG 4.06Å
154	R	93.3	Very high	96.8	Very high	48 Å²	48	54 Å²	54	18%	0.181	30%	0.299	C	S	.	.	S	Bend	trans	-68.7	-33.5	-175.2	-67.6	175.1	-166.3	175.6	7.6	112.8	L31 N32 Y33 V34 T200 F205	L31-R154 PolarHBondContact O-NH2 2.82Å; N32-R154 WeakPolarHBondContact O-CG 3.39Å; N32-R154 PolarHBondContact O-N 3.18Å; Y33-R154 PolarHBondContact O-NE 2.94Å; Y33-R154 PolarHBondContact O-NH2 2.95Å; V34-R154 HydrophobicContact CG2-CG 4.05Å; R154-T200 VanDerWaalsContact CA-OG1 3.22Å; R154-T200 WeakPolarHBondContact CA-OG1 3.48Å; R154-T200 PolarHBondContact O-OG1 3.17Å; R154-F205 HydrophobicContact CG-CD1 4.21Å; R154-F205 HydrophobicContact CG-CE1 3.75Å; R154-F205 HydrophobicContact CG-CZ 4.06Å; R154-F205 VanDerWaalsContact CZ-CB 3.48Å; R154-F205 VanDerWaalsContact CZ-CG 3.41Å
155	D	91.3	Very high	96.8	Very high	102 Å²	102	53.3 Å²	53.3	55%	0.545	30%	0.296	S	S	.	.	S	Bend	trans	-93.8	-14.7	-172.9	-65.8	-38.6	0	0	0	112.5	D153 R199	D153-D155 PolarHBondContact OD1-N 3.31Å; D155-R199 VanDerWaalsContact O-CD 3.31Å; D155-R199 WeakPolarHBondContact O-CD 3.4Å; D155-R199 PolarHBondContact O-NE 3.01Å
156	E	95.8	Very high	96.8	Very high	112 Å²	112	57.8 Å²	57.8	52%	0.523	32%	0.32	S	S	.	.	S	Bend	trans	-87.3	140.8	-177.3	-68.3	-59.1	150.1	0	0	113.2	D153	D153-E156 HydrophobicContact CB-CB 4.11Å; D153-E156 HydrophobicContact CB-CG 4.06Å
157	P	97.6	Very high	96.8	Very high	36 Å²	36	54.7 Å²	54.7	23%	0.234	31%	0.306	C	S	.	.			trans	-64.2	138.9	171.4	-20.7	33.6	0	0	0	112.4	T45 L197 W198	T45-P157 HydrophobicContact CG2-CB 4.44Å; T45-P157 HydrophobicContact CG2-CG 4.5Å; P157-L197 HydrophobicContact CB-CB 4.46Å; P157-L197 HydrophobicContact CB-CD2 3.99Å; P157-W198 CarbonylContact C-O 3.5Å; P157-W198 VanDerWaalsContact CA-O 3.31Å; P157-W198 WeakPolarHBondContact CA-O 3.42Å
158	V	98.6	Very high	96.8	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.012	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-129.6	165.3	177.2	-53.3	0	0	0	0	111	V145 Q146 C147 W152 F160 W198	V145-V158 HydrophobicContact CG1-CB 4.4Å; Q146-V158 CarbonylContact O-C 3.53Å; Q146-V158 WeakPolarHBondContact O-CA 3.49Å; Q146-V158 WeakPolarHBondContact O-CB 3.49Å; C147-V158 HydrophobicContact CB-CB 4.26Å; C147-V158 HydrophobicContact CB-CG1 3.54Å; W152-V158 HydrophobicContact CG-CG1 4.24Å; W152-V158 HydrophobicContact CZ2-CG2 3.98Å; V158-F160 HydrophobicContact CG2-CE1 4.15Å; V158-F160 HydrophobicContact CG2-CE2 4.01Å; V158-F160 HydrophobicContact CG2-CZ 3.66Å; V158-W198 PolarHBondContact N-O 3.42Å; V158-W198 PolarHBondContact O-N 3.44Å
159	R	98.8	Very high	97.1	Very high	63 Å²	63	47.2 Å²	47.2	24%	0.238	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	152.3	166	-53.5	-172.7	166.6	75.8	3.7	110	Q146 F168 N193 N196 L197	Q146-R159 HydrophobicContact CB-CB 4.19Å; Q146-R159 PolarHBondContact N-O 2.97Å; Q146-R159 PolarHBondContact O-N 2.87Å; R159-F168 HydrophobicContact CB-CD1 4.06Å; R159-N193 PolarHBondContact NH2-O 3.08Å; R159-N196 WeakPolarHBondContact CD-OD1 3.41Å; R159-N196 WeakPolarHBondContact CG-O 3.25Å; R159-N196 PolarHBondContact NE-OD1 2.95Å; R159-L197 HydrophobicContact CG-CD2 3.99Å; R159-L197 VanDerWaalsContact CZ-CD2 3.47Å
160	F	98.9	Very high	97.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	110.6	168.8	-56.7	-73.4	0	0	0	108	L42 I102 I104 W143 V145 W152 V158 F168 L169 W198	L42-F160 HydrophobicContact CD1-CE2 3.87Å; L42-F160 HydrophobicContact CD1-CZ 4.04Å; L42-F160 HydrophobicContact CD2-CE2 4.05Å; L42-F160 HydrophobicContact CD2-CZ 3.85Å; I102-F160 HydrophobicContact CD1-CE1 4.31Å; I104-F160 HydrophobicContact CD1-CD1 3.77Å; I104-F160 HydrophobicContact CD1-CD2 4.43Å; I104-F160 HydrophobicContact CD1-CE1 3.92Å; I104-F160 HydrophobicContact CD1-CG 4.03Å; I104-F160 HydrophobicContact CD1-CZ 4.31Å; W143-F160 HydrophobicContact CB-CB 4.28Å; W143-F160 HydrophobicContact CD2-CB 4.46Å; W143-F160 HydrophobicContact CE3-CB 3.91Å; V145-F160 HydrophobicContact CG1-CE1 4.37Å; V145-F160 HydrophobicContact CG2-CD1 4.3Å; V145-F160 HydrophobicContact CG2-CE1 4.11Å; W152-F160 AromaticContact CH2-CE1 3.5Å; W152-F160 HydrophobicContact CH2-CE1 3.5Å; W152-F160 AromaticContact CH2-CZ 3.42Å; W152-F160 HydrophobicContact CH2-CZ 3.42Å; W152-F160 VanDerWaalsContact CH2-CZ 3.42Å; W152-F160 AromaticContact CZ2-CE1 3.86Å; W152-F160 HydrophobicContact CZ2-CE1 3.86Å; W152-F160 AromaticContact CZ2-CZ 3.46Å; W152-F160 HydrophobicContact CZ2-CZ 3.46Å; W152-F160 VanDerWaalsContact CZ2-CZ 3.46Å; W152-F160 AromaticContact CZ3-CE1 3.98Å; W152-F160 HydrophobicContact CZ3-CE1 3.98Å; W152-F160 HydrophobicContact CZ3-CZ 4.34Å; V158-F160 HydrophobicContact CG2-CE1 4.15Å; V158-F160 HydrophobicContact CG2-CE2 4.01Å; V158-F160 HydrophobicContact CG2-CZ 3.66Å; F160-F168 WeakPolarHBondContact O-CA 3.39Å; F160-L169 HydrophobicContact CB-CB 4.09Å; F160-L169 HydrophobicContact CB-CD2 4.5Å; F160-L169 HydrophobicContact CD2-CD2 3.89Å; F160-L169 PolarHBondContact O-N 3.2Å; F160-W198 HydrophobicContact CD2-CB 4.36Å; F160-W198 AromaticContact CD2-CD1 3.97Å; F160-W198 HydrophobicContact CD2-CG 4.18Å; F160-W198 HydrophobicContact CE2-CB 3.79Å; F160-W198 HydrophobicContact CE2-CG 4.02Å
161	K	98.9	Very high	97.5	Very high	55 Å²	55	38 Å²	38	24%	0.239	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	120.6	176	-172.3	-178.6	175.3	-163.7	0	108.7	T144 Q146 V163 D166 V167 F168	T144-K161 PolarHBondContact N-O 2.73Å; T144-K161 PolarHBondContact O-N 2.54Å; Q146-K161 HydrophobicContact CG-CB 4.33Å; K161-V163 PolarHBondContact O-N 3.11Å; K161-D166 WeakPolarHBondContact CE-O 3.3Å; K161-D166 WeakPolarHBondContact CE-OD1 3.35Å; K161-D166 IonicContact NZ-OD1 3.45Å; K161-D166 PolarHBondContact NZ-OD1 3.12Å; K161-V167 CarbonylContact C-O 3.47Å; K161-V167 WeakPolarHBondContact CA-O 3.39Å; K161-F168 HydrophobicContact CB-CD1 4Å; K161-F168 HydrophobicContact CB-CE1 3.83Å; K161-F168 HydrophobicContact CD-CE1 4.04Å; K161-F168 HydrophobicContact CD-CZ 3.94Å; K161-F168 HydrophobicContact CG-CD1 4.27Å; K161-F168 HydrophobicContact CG-CE1 3.93Å; K161-F168 HydrophobicContact CG-CZ 4.16Å
162	H	98.8	Very high	96.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	132.7	177.3	-174.5	-123.9	0	0	0	110.4	T115 L140 V142 W143 G164 T165 D166 V167	T115-H162 HydrophobicContact CG2-CB 3.67Å; T115-H162 WeakPolarHBondContact CG2-ND1 3.32Å; T115-H162 PolarHBondContact O-CE1 2.95Å; T115-H162 VanDerWaalsContact O-CE1 3.28Å; L140-H162 VanDerWaalsContact C-NE2 3.32Å; L140-H162 WeakPolarHBondContact CA-NE2 3.34Å; L140-H162 PolarHBondContact O-NE2 3.17Å; V142-H162 PolarHBondContact O-CD2 2.87Å; W143-H162 HydrophobicContact CD2-CB 4.28Å; W143-H162 AromaticContact CE2-CD2 3.94Å; W143-H162 HydrophobicContact CE3-CB 3.77Å; W143-H162 HydrophobicContact CH2-CB 4Å; W143-H162 HydrophobicContact CZ2-CB 4.47Å; W143-H162 HydrophobicContact CZ3-CB 3.62Å; H162-G164 PolarHBondContact ND1-N 2.83Å; H162-T165 PolarHBondContact ND1-N 3.47Å; H162-T165 VanDerWaalsContact ND1-N 3.17Å; H162-T165 PolarHBondContact ND1-OG1 3.19Å; H162-D166 WeakPolarHBondContact O-CA 3.35Å; H162-D166 PolarHBondContact O-N 3.03Å; H162-D166 VanDerWaalsContact O-N 3.11Å; H162-V167 HydrophobicContact CB-CG2 3.99Å; H162-V167 PolarHBondContact N-O 3.45Å
163	V	98.3	Very high	96.4	Very high	73 Å²	73	37.2 Å²	37.2	44%	0.442	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-38.6	-175.7	174.8	0	0	0	0	111.8	V142 T144 K161	V142-V163 HydrophobicContact CB-CB 4.36Å; V142-V163 HydrophobicContact CB-CG2 4.28Å; V142-V163 HydrophobicContact CG1-CB 4.35Å; V142-V163 HydrophobicContact CG1-CG2 3.8Å; V142-V163 WeakPolarHBondContact O-CB 3.24Å; V142-V163 WeakPolarHBondContact O-CG2 3.27Å; V142-V163 PolarHBondContact O-N 2.84Å; T144-V163 WeakPolarHBondContact OG1-CG2 3.15Å; K161-V163 PolarHBondContact O-N 3.11Å
164	G	97.7	Very high	96.5	Very high	45 Å²	45	38.5 Å²	38.5	46%	0.464	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-27	-173.5	0	0	0	0	0	115.1	H162	H162-G164 PolarHBondContact ND1-N 2.83Å
165	T	98.4	Very high	96.7	Very high	21 Å²	21	41.4 Å²	41.4	13%	0.129	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.5	3.5	-171.4	68.2	0	0	0	0	114	Q126 H162 V167	Q126-T165 PolarHBondContact NE2-OG1 3.01Å; H162-T165 PolarHBondContact ND1-N 3.47Å; H162-T165 VanDerWaalsContact ND1-N 3.17Å; H162-T165 PolarHBondContact ND1-OG1 3.19Å; T165-V167 PolarHBondContact O-N 2.79Å; T165-V167 WeakPolarHBondContact OG1-CG2 3.48Å
166	D	98.6	Very high	97	Very high	94 Å²	94	37.8 Å²	37.8	50%	0.503	21%	0.205	S	C	.	.			trans	60.6	4.6	177.9	-71.7	-56.6	0	0	0	117.3	K161 H162	K161-D166 WeakPolarHBondContact CE-O 3.3Å; K161-D166 WeakPolarHBondContact CE-OD1 3.35Å; K161-D166 IonicContact NZ-OD1 3.45Å; K161-D166 PolarHBondContact NZ-OD1 3.12Å; H162-D166 WeakPolarHBondContact O-CA 3.35Å; H162-D166 PolarHBondContact O-N 3.03Å; H162-D166 VanDerWaalsContact O-N 3.11Å
167	V	98.8	Very high	97.1	Very high	10 Å²	10	34.6 Å²	34.6	6%	0.061	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-75.8	154	177	-57.8	0	0	0	0	112.1	T115 Q126 K161 H162 T165 M189	T115-V167 HydrophobicContact CG2-CG2 4.03Å; Q126-V167 HydrophobicContact CB-CG1 4.22Å; K161-V167 CarbonylContact C-O 3.47Å; K161-V167 WeakPolarHBondContact CA-O 3.39Å; H162-V167 HydrophobicContact CB-CG2 3.99Å; H162-V167 PolarHBondContact N-O 3.45Å; T165-V167 PolarHBondContact O-N 2.79Å; T165-V167 WeakPolarHBondContact OG1-CG2 3.48Å; V167-M189 CarbonylContact C-O 3.4Å; V167-M189 WeakPolarHBondContact CA-O 2.97Å
168	F	98.9	Very high	97	Very high	16 Å²	16	40.5 Å²	40.5	7%	0.07	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	133.8	174.9	-61.9	-87.7	0	0	0	110.5	R159 F160 K161 G170 G188 M189 P192 N196	R159-F168 HydrophobicContact CB-CD1 4.06Å; F160-F168 WeakPolarHBondContact O-CA 3.39Å; K161-F168 HydrophobicContact CB-CD1 4Å; K161-F168 HydrophobicContact CB-CE1 3.83Å; K161-F168 HydrophobicContact CD-CE1 4.04Å; K161-F168 HydrophobicContact CD-CZ 3.94Å; K161-F168 HydrophobicContact CG-CD1 4.27Å; K161-F168 HydrophobicContact CG-CE1 3.93Å; K161-F168 HydrophobicContact CG-CZ 4.16Å; F168-G170 PolarHBondContact O-N 2.73Å; F168-G188 WeakPolarHBondContact O-CA 3.46Å; F168-M189 WeakPolarHBondContact CD2-O 3.27Å; F168-M189 PolarHBondContact N-O 2.91Å; F168-M189 PolarHBondContact O-N 3.37Å; F168-P192 HydrophobicContact CE1-CB 4.33Å; F168-P192 HydrophobicContact CE2-CB 4.22Å; F168-P192 HydrophobicContact CE2-CG 4.32Å; F168-P192 HydrophobicContact CZ-CB 4.08Å; F168-P192 HydrophobicContact CZ-CG 4.29Å; F168-N196 HydrophobicContact CB-CB 3.85Å
169	L	98.9	Very high	96.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	120.1	171.3	-175.9	69	0	0	0	109.7	L51 L113 V128 W143 F160 V186 N196 W198	L51-L169 HydrophobicContact CD1-CD2 4.39Å; L51-L169 HydrophobicContact CD2-CD2 4.25Å; L113-L169 HydrophobicContact CD1-CD1 4.45Å; L113-L169 HydrophobicContact CD2-CD1 4.07Å; L113-L169 HydrophobicContact CD2-CD2 3.8Å; V128-L169 HydrophobicContact CB-CD1 4.49Å; V128-L169 HydrophobicContact CG1-CD1 3.83Å; V128-L169 HydrophobicContact CG2-CD1 4.11Å; W143-L169 HydrophobicContact CE3-CB 4.35Å; W143-L169 HydrophobicContact CH2-CB 4.33Å; W143-L169 HydrophobicContact CH2-CD1 4.23Å; W143-L169 HydrophobicContact CZ3-CB 3.82Å; F160-L169 HydrophobicContact CB-CB 4.09Å; F160-L169 HydrophobicContact CB-CD2 4.5Å; F160-L169 HydrophobicContact CD2-CD2 3.89Å; F160-L169 PolarHBondContact O-N 3.2Å; L169-V186 HydrophobicContact CD1-CG1 3.46Å; L169-V186 VanDerWaalsContact CD1-CG1 3.46Å; L169-V186 HydrophobicContact CG-CG1 4.37Å; L169-N196 VanDerWaalsContact O-CA 3.31Å; L169-N196 WeakPolarHBondContact O-CA 3.4Å; L169-N196 WeakPolarHBondContact O-CB 3.37Å; L169-W198 HydrophobicContact CD2-CD2 4.42Å; L169-W198 HydrophobicContact CD2-CZ2 3.92Å; L169-W198 HydrophobicContact CG-CZ2 3.78Å; L169-W198 PolarHBondContact O-NE1 3.31Å
170	G	98.5	Very high	96.7	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	173.4	-174.9	0	0	0	0	0	114.5	F168 V186 H187 H195	F168-G170 PolarHBondContact O-N 2.73Å; G170-V186 WeakPolarHBondContact O-CA 3.04Å; G170-H187 PolarHBondContact N-O 3.35Å; G170-H187 PolarHBondContact O-N 2.82Å; G170-H195 WeakPolarHBondContact CA-O 3.41Å
171	I	98.1	Very high	96.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	130.8	177.4	-64.8	-176.3	0	0	0	108.8	N44 H47 V49 R184 V186 H195 W198	N44-I171 HydrophobicContact CB-CD1 4.01Å; H47-I171 HydrophobicContact CB-CG2 4.28Å; H47-I171 PolarHBondContact CD2-O 2.66Å; H47-I171 PolarHBondContact NE2-O 3.3Å; V49-I171 HydrophobicContact CG2-CD1 3.35Å; I171-R184 HydrophobicContact CG2-CB 4Å; I171-V186 HydrophobicContact CD1-CG2 3.81Å; I171-V186 HydrophobicContact CG1-CB 4.5Å; I171-V186 HydrophobicContact CG1-CG2 3.78Å; I171-H195 PolarHBondContact N-O 3.39Å; I171-H195 VanDerWaalsContact N-O 3.15Å; I171-H195 VanDerWaalsContact O-CB 3.25Å; I171-H195 WeakPolarHBondContact O-CB 3.43Å; I171-H195 PolarHBondContact O-ND1 2.83Å; I171-W198 HydrophobicContact CD1-CH2 3.59Å; I171-W198 HydrophobicContact CD1-CZ2 4.17Å; I171-W198 HydrophobicContact CD1-CZ3 4.39Å; I171-W198 HydrophobicContact CG1-CH2 3.97Å; I171-W198 HydrophobicContact CG1-CZ2 4.04Å
172	T	80.4	Confident	96.6	Very high	41 Å²	41	51.1 Å²	51.1	25%	0.252	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-14.1	179.4	41.6	0	0	0	0	114.5	H47 E174 H187 M189	H47-T172 PolarHBondContact CE1-O 3.5Å; H47-T172 VanDerWaalsContact CE1-O 3.32Å; T172-E174 VanDerWaalsContact C-OE2 3.22Å; T172-E174 VanDerWaalsContact CB-OE2 3.24Å; T172-E174 WeakPolarHBondContact CB-OE2 3.5Å; T172-E174 PolarHBondContact OG1-OE1 2.8Å; T172-E174 PolarHBondContact OG1-OE2 3.16Å; T172-H187 WeakPolarHBondContact CG2-NE2 3.38Å; T172-H187 PolarHBondContact N-NE2 3.31Å; T172-H187 PolarHBondContact OG1-CE1 2.86Å; T172-H187 PolarHBondContact OG1-NE2 2.82Å; T172-M189 HydrophobicContact CG2-CE 3.73Å; T172-M189 HydrophobicContact CG2-SD 4.28Å
173	G	89.9	Confident	96.6	Very high	19 Å²	19	52.8 Å²	52.8	20%	0.196	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	117.2	-7.5	166.4	0	0	0	0	0	115.2
174	E	97.5	Very high	96.6	Very high	72 Å²	72	51.2 Å²	51.2	34%	0.336	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	137.7	170.9	-63.6	74.5	-170.6	0	0	109.7	L122 T172 R184 E185	L122-E174 HydrophobicContact CB-CB 3.92Å; L122-E174 HydrophobicContact CB-CG 4.31Å; L122-E174 HydrophobicContact CD1-CB 3.81Å; T172-E174 VanDerWaalsContact C-OE2 3.22Å; T172-E174 VanDerWaalsContact CB-OE2 3.24Å; T172-E174 WeakPolarHBondContact CB-OE2 3.5Å; T172-E174 PolarHBondContact OG1-OE1 2.8Å; T172-E174 PolarHBondContact OG1-OE2 3.16Å; E174-R184 CarbonylContact O-C 2.94Å; E174-R184 VanDerWaalsContact O-CA 3.24Å; E174-R184 WeakPolarHBondContact O-CA 3.37Å; E174-E185 HydrophobicContact CB-CB 4.32Å; E174-E185 PolarHBondContact O-N 3.26Å
175	Q	98	Very high	96.7	Very high	108 Å²	108	49.1 Å²	49.1	51%	0.505	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	141.3	-175.8	-71.5	173.7	41.2	0	0	111	Q183 R184	Q175-Q183 CarbonylContact C-O 3.56Å; Q175-Q183 VanDerWaalsContact CA-O 3.27Å; Q175-Q183 WeakPolarHBondContact CA-O 3.48Å; Q175-R184 HydrophobicContact CG-CG 4Å
176	Y	98.1	Very high	96.7	Very high	27 Å²	27	48.1 Å²	48.1	11%	0.106	26%	0.255	C	S	.	.			trans	-74.2	152.7	174	-66.4	-78.8	0	0	0	112	Y58 T68 P121 L122 I180 R181 G182 Q183 E185	Y58-Y176 WeakPolarHBondContact CE1-OH 3.33Å; T68-Y176 HydrophobicContact CG2-CD2 4.03Å; T68-Y176 HydrophobicContact CG2-CE2 3.76Å; P121-Y176 HydrophobicContact CB-CE1 4.02Å; P121-Y176 HydrophobicContact CG-CE1 4.33Å; L122-Y176 HydrophobicContact CD1-CD1 3.83Å; L122-Y176 HydrophobicContact CD1-CD2 4.37Å; L122-Y176 HydrophobicContact CD1-CE1 3.84Å; L122-Y176 HydrophobicContact CD1-CE2 4.39Å; L122-Y176 HydrophobicContact CD1-CG 4.09Å; L122-Y176 HydrophobicContact CD2-CD1 3.99Å; L122-Y176 HydrophobicContact CD2-CE1 3.93Å; L122-Y176 HydrophobicContact CG-CD1 4.07Å; L122-Y176 HydrophobicContact CG-CE1 3.72Å; Y176-I180 HydrophobicContact CD1-CD1 4.12Å; Y176-I180 HydrophobicContact CD2-CD1 3.62Å; Y176-I180 HydrophobicContact CE2-CD1 4.26Å; Y176-I180 HydrophobicContact CG-CD1 3.55Å; Y176-I180 HydrophobicContact CG-CG1 4.1Å; Y176-R181 WeakPolarHBondContact O-CA 3.36Å; Y176-G182 PolarHBondContact O-N 2.79Å; Y176-Q183 WeakPolarHBondContact CD2-O 3.48Å; Y176-Q183 PolarHBondContact N-O 2.72Å; Y176-E185 HydrophobicContact CE2-CB 4.12Å
177	G	97.4	Very high	96.7	Very high	45 Å²	45	43.6 Å²	43.6	46%	0.464	23%	0.231	S	C	.	.			trans	-86.5	-152.1	164.9	0	0	0	0	0	111.9	I180 R181	G177-I180 CarbonylContact O-C 3.49Å; G177-I180 PolarHBondContact O-N 2.67Å; G177-R181 VanDerWaalsContact O-CA 3.3Å; G177-R181 WeakPolarHBondContact O-CA 3.34Å; G177-R181 PolarHBondContact O-N 2.86Å
178	H	94.9	Very high	96.7	Very high	159 Å²	159	43.2 Å²	43.2	74%	0.736	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	144.9	174.8	-65.4	96	0	0	0	111.6
179	P	95.6	Very high	96.6	Very high	101 Å²	101	43.4 Å²	43.4	66%	0.656	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	cis	-85.6	-3.5	2.5	34	-35.2	0	0	0	114.9	V56	V56-P179 HydrophobicContact CG1-CG 4.01Å; V56-P179 HydrophobicContact CG2-CG 4.32Å
180	I	97.2	Very high	96.6	Very high	18 Å²	18	48.1 Å²	48.1	9%	0.092	26%	0.263	C	S	.	.	S	Bend	trans	-113.3	49.1	-171.2	49.8	159.7	0	0	0	111.8	H54 V56 T68 Y176 G177 G182 Q183	H54-I180 WeakPolarHBondContact NE2-CG2 3.3Å; V56-I180 HydrophobicContact CG2-CG2 4.25Å; T68-I180 HydrophobicContact CG2-CD1 3.96Å; Y176-I180 HydrophobicContact CD1-CD1 4.12Å; Y176-I180 HydrophobicContact CD2-CD1 3.62Å; Y176-I180 HydrophobicContact CE2-CD1 4.26Å; Y176-I180 HydrophobicContact CG-CD1 3.55Å; Y176-I180 HydrophobicContact CG-CG1 4.1Å; G177-I180 CarbonylContact O-C 3.49Å; G177-I180 PolarHBondContact O-N 2.67Å; I180-G182 PolarHBondContact O-N 3.16Å; I180-Q183 HydrophobicContact CB-CG 4.18Å; I180-Q183 WeakPolarHBondContact O-CB 3.48Å; I180-Q183 WeakPolarHBondContact O-CG 3.43Å; I180-Q183 PolarHBondContact O-N 3.05Å
181	R	97.6	Very high	96.5	Very high	191 Å²	191	51.8 Å²	51.8	72%	0.721	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	129.5	-169.7	-175.2	178.4	179.9	177.2	-0.5	111.6	Y176 G177 Q183	Y176-R181 WeakPolarHBondContact O-CA 3.36Å; G177-R181 VanDerWaalsContact O-CA 3.3Å; G177-R181 WeakPolarHBondContact O-CA 3.34Å; G177-R181 PolarHBondContact O-N 2.86Å; R181-Q183 VanDerWaalsContact C-N 3.28Å; R181-Q183 PolarHBondContact O-N 3.46Å
182	G	97.4	Very high	96.5	Very high	33 Å²	33	55.5 Å²	55.5	34%	0.34	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	-8.1	174.9	0	0	0	0	0	114.9	Y176 I180	Y176-G182 PolarHBondContact O-N 2.79Å; I180-G182 PolarHBondContact O-N 3.16Å
183	Q	98.4	Very high	97.3	Very high	35 Å²	35	55.6 Å²	55.6	16%	0.164	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-70.1	141.1	172	-55.7	-169.3	10.4	0	0	109.8	H52 H54 T68 G69 V70 Q175 Y176 I180 R181	H52-Q183 PolarHBondContact ND1-OE1 3.1Å; H54-Q183 PolarHBondContact CE1-OE1 3.38Å; T68-Q183 HydrophobicContact CG2-CB 4.24Å; T68-Q183 PolarHBondContact OG1-OE1 3.33Å; G69-Q183 WeakPolarHBondContact O-CA 3.26Å; V70-Q183 HydrophobicContact CG1-CB 4.46Å; V70-Q183 HydrophobicContact CG1-CG 3.89Å; Q175-Q183 CarbonylContact C-O 3.56Å; Q175-Q183 VanDerWaalsContact CA-O 3.27Å; Q175-Q183 WeakPolarHBondContact CA-O 3.48Å; Y176-Q183 WeakPolarHBondContact CD2-O 3.48Å; Y176-Q183 PolarHBondContact N-O 2.72Å; I180-Q183 HydrophobicContact CB-CG 4.18Å; I180-Q183 WeakPolarHBondContact O-CB 3.48Å; I180-Q183 WeakPolarHBondContact O-CG 3.43Å; I180-Q183 PolarHBondContact O-N 3.05Å; R181-Q183 VanDerWaalsContact C-N 3.28Å; R181-Q183 PolarHBondContact O-N 3.46Å
184	R	98.6	Very high	97.7	Very high	41 Å²	41	60.1 Å²	60.1	16%	0.155	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	145.2	-176.5	-61.4	-175.2	-169.9	-120.8	-3.1	111.7	H47 V49 T68 G69 E71 I171 E174 Q175 V186	H47-R184 PolarHBondContact ND1-NH1 2.74Å; V49-R184 HydrophobicContact CG1-CG 4.35Å; T68-R184 CarbonylContact C-O 3.54Å; T68-R184 VanDerWaalsContact CA-O 3.27Å; T68-R184 WeakPolarHBondContact CA-O 3.13Å; T68-R184 WeakPolarHBondContact CB-O 3.3Å; G69-R184 PolarHBondContact N-O 2.79Å; G69-R184 PolarHBondContact O-N 3.13Å; E71-R184 IonicContact OE1-NH2 2.68Å; E71-R184 PolarHBondContact OE1-NH2 2.83Å; E71-R184 VanDerWaalsContact OE1-NH2 3.16Å; I171-R184 HydrophobicContact CG2-CB 4Å; E174-R184 CarbonylContact O-C 2.94Å; E174-R184 VanDerWaalsContact O-CA 3.24Å; E174-R184 WeakPolarHBondContact O-CA 3.37Å; Q175-R184 HydrophobicContact CG-CG 4Å; R184-V186 PolarHBondContact O-N 2.6Å
185	E	98.6	Very high	97.7	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	129.1	173.1	-177.7	-178.6	-132.2	0	0	111.1	S120 P121 L122 S123 E174 Y176 H187	S120-E185 WeakPolarHBondContact CB-OE1 3.45Å; S120-E185 PolarHBondContact OG-OE1 3.11Å; P121-E185 WeakPolarHBondContact CD-OE1 3.37Å; P121-E185 VanDerWaalsContact N-OE1 3.15Å; L122-E185 HydrophobicContact CD1-CB 4.09Å; L122-E185 HydrophobicContact CG-CB 4.45Å; L122-E185 PolarHBondContact N-OE1 3.41Å; S123-E185 WeakPolarHBondContact CB-OE2 3.46Å; S123-E185 PolarHBondContact N-OE1 3.36Å; S123-E185 PolarHBondContact N-OE2 3.35Å; S123-E185 VanDerWaalsContact N-OE2 3.09Å; S123-E185 PolarHBondContact OG-OE2 3.45Å; E174-E185 HydrophobicContact CB-CB 4.32Å; E174-E185 PolarHBondContact O-N 3.26Å; Y176-E185 HydrophobicContact CE2-CB 4.12Å; E185-H187 HydrophobicContact CG-CB 4.45Å
186	V	98.8	Very high	97.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	135.4	166.6	175.7	0	0	0	0	108.1	L51 V67 V128 L169 G170 I171 R184	L51-V186 HydrophobicContact CD1-CG1 3.93Å; L51-V186 HydrophobicContact CD1-CG2 3.97Å; V67-V186 HydrophobicContact CG1-CB 4.11Å; V67-V186 HydrophobicContact CG1-CG1 4.05Å; V67-V186 HydrophobicContact CG1-CG2 4.33Å; V128-V186 HydrophobicContact CB-CG1 4.14Å; V128-V186 HydrophobicContact CG1-CG1 3.97Å; L169-V186 HydrophobicContact CD1-CG1 3.46Å; L169-V186 VanDerWaalsContact CD1-CG1 3.46Å; L169-V186 HydrophobicContact CG-CG1 4.37Å; G170-V186 WeakPolarHBondContact O-CA 3.04Å; I171-V186 HydrophobicContact CD1-CG2 3.81Å; I171-V186 HydrophobicContact CG1-CB 4.5Å; I171-V186 HydrophobicContact CG1-CG2 3.78Å; R184-V186 PolarHBondContact O-N 2.6Å
187	H	98.8	Very high	97.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	170.4	-174.9	60.3	107.8	0	0	0	111.6	N125 Q126 V128 G170 T172 E185	N125-H187 HydrophobicContact CB-CB 4Å; N125-H187 WeakPolarHBondContact CB-ND1 3.31Å; N125-H187 VanDerWaalsContact CG-ND1 3.28Å; N125-H187 PolarHBondContact ND2-CE1 2.9Å; N125-H187 PolarHBondContact ND2-ND1 2.85Å; Q126-H187 CarbonylContact O-C 3.54Å; Q126-H187 WeakPolarHBondContact O-CA 3.49Å; Q126-H187 WeakPolarHBondContact O-CB 3.16Å; V128-H187 VanDerWaalsContact CG2-C 3.45Å; G170-H187 PolarHBondContact N-O 3.35Å; G170-H187 PolarHBondContact O-N 2.82Å; T172-H187 WeakPolarHBondContact CG2-NE2 3.38Å; T172-H187 PolarHBondContact N-NE2 3.31Å; T172-H187 PolarHBondContact OG1-CE1 2.86Å; T172-H187 PolarHBondContact OG1-NE2 2.82Å; E185-H187 HydrophobicContact CG-CB 4.45Å
188	G	98.7	Very high	97.8	Very high	2 Å²	2	52.4 Å²	52.4	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.2	175.9	0	0	0	0	0	111.4	Q126 F168	Q126-G188 PolarHBondContact N-O 2.94Å; Q126-G188 PolarHBondContact O-N 3.13Å; F168-G188 WeakPolarHBondContact O-CA 3.46Å
189	M	98.3	Very high	97.9	Very high	20 Å²	20	48.9 Å²	48.9	10%	0.099	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.4	177.1	-57.2	-178.6	80.7	0	0	110.9	V167 F168 T172 T191 N193 H195	V167-M189 CarbonylContact C-O 3.4Å; V167-M189 WeakPolarHBondContact CA-O 2.97Å; F168-M189 WeakPolarHBondContact CD2-O 3.27Å; F168-M189 PolarHBondContact N-O 2.91Å; F168-M189 PolarHBondContact O-N 3.37Å; T172-M189 HydrophobicContact CG2-CE 3.73Å; T172-M189 HydrophobicContact CG2-SD 4.28Å; M189-T191 VanDerWaalsContact C-N 3.3Å; M189-T191 PolarHBondContact O-N 3Å; M189-N193 VanDerWaalsContact CE-ND2 3.26Å; M189-N193 WeakPolarHBondContact CE-ND2 3.42Å; M189-H195 HydrophobicContact CE-CB 4.19Å; M189-H195 HydrophobicContact SD-CB 3.85Å
190	S	97.5	Very high	98	Very high	98 Å²	98	44.3 Å²	44.3	69%	0.685	23%	0.229	S	C	*	.	S	Bend	trans	-72.3	-19.3	-179.3	55.9	0	0	0	0	114.6
191	T	97.2	Very high	97.8	Very high	78 Å²	78	46.5 Å²	46.5	48%	0.479	24%	0.24	S	C	.	.	S	Bend	trans	-123.8	141.2	-173.6	57	0	0	0	0	112.3	M189 N193 N196	M189-T191 VanDerWaalsContact C-N 3.3Å; M189-T191 PolarHBondContact O-N 3Å; T191-N193 PolarHBondContact O-ND2 2.76Å; T191-N196 PolarHBondContact O-ND2 3.28Å
192	P	97.6	Very high	97.5	Very high	78 Å²	78	40.6 Å²	40.6	51%	0.506	22%	0.22	S	C	.	.			trans	-71.6	132.6	173	30.3	-33	0	0	0	110.2	F168	F168-P192 HydrophobicContact CE1-CB 4.33Å; F168-P192 HydrophobicContact CE2-CB 4.22Å; F168-P192 HydrophobicContact CE2-CG 4.32Å; F168-P192 HydrophobicContact CZ-CB 4.08Å; F168-P192 HydrophobicContact CZ-CG 4.29Å
193	N	97.3	Very high	97	Very high	42 Å²	42	40.5 Å²	40.5	23%	0.225	22%	0.219	C	C	.	.	S	Bend	trans	-157.1	-162.3	178.2	60	56.6	0	0	0	109.9	R159 M189 T191 H195 N196	R159-N193 PolarHBondContact NH2-O 3.08Å; M189-N193 VanDerWaalsContact CE-ND2 3.26Å; M189-N193 WeakPolarHBondContact CE-ND2 3.42Å; T191-N193 PolarHBondContact O-ND2 2.76Å; N193-H195 WeakPolarHBondContact OD1-CA 3.42Å; N193-H195 WeakPolarHBondContact OD1-CB 3.49Å; N193-H195 PolarHBondContact OD1-N 2.8Å; N193-N196 PolarHBondContact N-ND2 3.32Å; N193-N196 PolarHBondContact N-OD1 2.75Å; N193-N196 PolarHBondContact O-OD1 3.19Å
194	Q	97.4	Very high	96.7	Very high	115 Å²	115	43.4 Å²	43.4	54%	0.537	24%	0.239	S	C	.	.	S	Bend	trans	-76.7	-22.5	-179.6	-65	-175.4	-7.1	0	0	113.4	R46 N196	R46-Q194 WeakPolarHBondContact CB-O 3.32Å; R46-Q194 VanDerWaalsContact NH1-OE1 3.17Å; Q194-N196 VanDerWaalsContact C-N 3.3Å; Q194-N196 PolarHBondContact O-N 2.6Å
195	H	98.1	Very high	96.4	Very high	55 Å²	55	43.9 Å²	43.9	26%	0.255	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-13.3	-177.2	-65.3	-69.6	0	0	0	114	N44 H47 G170 I171 M189 N193	N44-H195 PolarHBondContact ND2-O 2.86Å; H47-H195 AromaticContact CD2-ND1 3.82Å; H47-H195 AromaticContact CE1-ND1 3.87Å; H47-H195 AromaticContact NE2-CE1 3.72Å; H47-H195 AromaticContact NE2-ND1 3.04Å; H47-H195 PolarHBondContact NE2-ND1 3.47Å; G170-H195 WeakPolarHBondContact CA-O 3.41Å; I171-H195 PolarHBondContact N-O 3.39Å; I171-H195 VanDerWaalsContact N-O 3.15Å; I171-H195 VanDerWaalsContact O-CB 3.25Å; I171-H195 WeakPolarHBondContact O-CB 3.43Å; I171-H195 PolarHBondContact O-ND1 2.83Å; M189-H195 HydrophobicContact CE-CB 4.19Å; M189-H195 HydrophobicContact SD-CB 3.85Å; N193-H195 WeakPolarHBondContact OD1-CA 3.42Å; N193-H195 WeakPolarHBondContact OD1-CB 3.49Å; N193-H195 PolarHBondContact OD1-N 2.8Å
196	N	98.5	Very high	96	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	20	177.8	50.2	47.8	0	0	0	113.8	R159 F168 L169 T191 N193 Q194	R159-N196 WeakPolarHBondContact CD-OD1 3.41Å; R159-N196 WeakPolarHBondContact CG-O 3.25Å; R159-N196 PolarHBondContact NE-OD1 2.95Å; F168-N196 HydrophobicContact CB-CB 3.85Å; L169-N196 VanDerWaalsContact O-CA 3.31Å; L169-N196 WeakPolarHBondContact O-CA 3.4Å; L169-N196 WeakPolarHBondContact O-CB 3.37Å; T191-N196 PolarHBondContact O-ND2 3.28Å; N193-N196 PolarHBondContact N-ND2 3.32Å; N193-N196 PolarHBondContact N-OD1 2.75Å; N193-N196 PolarHBondContact O-OD1 3.19Å; Q194-N196 VanDerWaalsContact C-N 3.3Å; Q194-N196 PolarHBondContact O-N 2.6Å
197	L	98.6	Very high	95.4	Very high	35 Å²	35	52.6 Å²	52.6	18%	0.183	28%	0.283	C	S	.	.			trans	-92	123.4	170.9	-75.9	172.7	0	0	0	111	T45 P157 R159	T45-L197 PolarHBondContact N-O 2.92Å; T45-L197 WeakPolarHBondContact OG1-CB 3.49Å; T45-L197 PolarHBondContact OG1-O 3.29Å; P157-L197 HydrophobicContact CB-CB 4.46Å; P157-L197 HydrophobicContact CB-CD2 3.99Å; R159-L197 HydrophobicContact CG-CD2 3.99Å; R159-L197 VanDerWaalsContact CZ-CD2 3.47Å
198	W	98.7	Very high	94.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	146.3	-179.2	-61.5	85.8	0	0	0	110.6	L42 L43 N44 L51 P157 V158 F160 L169 I171	L42-W198 HydrophobicContact CB-CE3 3.97Å; L42-W198 WeakPolarHBondContact O-CZ3 3.02Å; L43-W198 CarbonylContact O-C 3.57Å; L43-W198 VanDerWaalsContact O-CA 3.23Å; L43-W198 WeakPolarHBondContact O-CA 3.31Å; N44-W198 HydrophobicContact CB-CD2 4.33Å; N44-W198 HydrophobicContact CB-CE3 3.92Å; N44-W198 HydrophobicContact CB-CH2 3.99Å; N44-W198 HydrophobicContact CB-CZ2 4.35Å; N44-W198 HydrophobicContact CB-CZ3 3.74Å; N44-W198 VanDerWaalsContact N-CE3 3.31Å; L51-W198 HydrophobicContact CB-CH2 4.22Å; L51-W198 HydrophobicContact CB-CZ3 3.83Å; L51-W198 HydrophobicContact CD1-CH2 3.91Å; L51-W198 HydrophobicContact CD1-CZ3 4.37Å; P157-W198 CarbonylContact C-O 3.5Å; P157-W198 VanDerWaalsContact CA-O 3.31Å; P157-W198 WeakPolarHBondContact CA-O 3.42Å; V158-W198 PolarHBondContact N-O 3.42Å; V158-W198 PolarHBondContact O-N 3.44Å; F160-W198 HydrophobicContact CD2-CB 4.36Å; F160-W198 AromaticContact CD2-CD1 3.97Å; F160-W198 HydrophobicContact CD2-CG 4.18Å; F160-W198 HydrophobicContact CE2-CB 3.79Å; F160-W198 HydrophobicContact CE2-CG 4.02Å; L169-W198 HydrophobicContact CD2-CD2 4.42Å; L169-W198 HydrophobicContact CD2-CZ2 3.92Å; L169-W198 HydrophobicContact CG-CZ2 3.78Å; L169-W198 PolarHBondContact O-NE1 3.31Å; I171-W198 HydrophobicContact CD1-CH2 3.59Å; I171-W198 HydrophobicContact CD1-CZ2 4.17Å; I171-W198 HydrophobicContact CD1-CZ3 4.39Å; I171-W198 HydrophobicContact CG1-CH2 3.97Å; I171-W198 HydrophobicContact CG1-CZ2 4.04Å
199	R	98.1	Very high	93	Very high	84 Å²	84	58.7 Å²	58.7	32%	0.317	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	141.1	171.9	-173.8	-174.8	-73.4	133.9	-0.3	109	L43 T45 D155 M201	L43-R199 PolarHBondContact N-O 3.41Å; L43-R199 PolarHBondContact O-N 2.84Å; T45-R199 HydrophobicContact CG2-CB 3.96Å; D155-R199 VanDerWaalsContact O-CD 3.31Å; D155-R199 WeakPolarHBondContact O-CD 3.4Å; D155-R199 PolarHBondContact O-NE 3.01Å; R199-M201 HydrophobicContact CG-SD 4.27Å; R199-M201 PolarHBondContact O-N 2.91Å
200	T	97	Very high	91.3	Very high	5 Å²	5	67.2 Å²	67.2	3%	0.031	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	131.7	167.5	37.7	0	0	0	0	110	V34 V40 L42 W152 R154	V34-T200 HydrophobicContact CG2-CG2 3.71Å; V40-T200 HydrophobicContact CB-CG2 4.11Å; V40-T200 HydrophobicContact CG1-CG2 4.17Å; V40-T200 HydrophobicContact CG2-CG2 4.15Å; L42-T200 HydrophobicContact CD2-CG2 3.87Å; W152-T200 HydrophobicContact CH2-CG2 4.11Å; W152-T200 HydrophobicContact CZ2-CG2 3.37Å; R154-T200 VanDerWaalsContact CA-OG1 3.22Å; R154-T200 WeakPolarHBondContact CA-OG1 3.48Å; R154-T200 PolarHBondContact O-OG1 3.17Å
201	M	93.1	Very high	89.3	Confident	65 Å²	65	70.4 Å²	70.4	32%	0.32	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	-145.4	175.1	-63.3	-60.5	-58.8	0	0	108.5	K41 L43 R199 G203	K41-M201 PolarHBondContact O-N 2.87Å; L43-M201 HydrophobicContact CB-CB 4.46Å; L43-M201 HydrophobicContact CB-CG 3.42Å; L43-M201 VanDerWaalsContact CB-CG 3.42Å; L43-M201 HydrophobicContact CD2-CG 3.8Å; L43-M201 HydrophobicContact CD2-SD 4.05Å; L43-M201 HydrophobicContact CG-CG 4.22Å; R199-M201 HydrophobicContact CG-SD 4.27Å; R199-M201 PolarHBondContact O-N 2.91Å; M201-G203 PolarHBondContact O-N 2.71Å
202	E	90.6	Very high	87.1	Confident	67 Å²	67	72.1 Å²	72.1	31%	0.313	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-35.6	129.8	-176.4	-54.1	80.7	-168.7	0	0	112.1	K41 R50	K41-E202 HydrophobicContact CD-CB 4.1Å; K41-E202 HydrophobicContact CG-CB 4.22Å; K41-E202 WeakPolarHBondContact CG-O 3.12Å; K41-E202 PolarHBondContact N-O 3.5Å; R50-E202 IonicContact CZ-OE1 3.56Å; R50-E202 IonicContact CZ-OE2 3.54Å; R50-E202 IonicContact NE-OE1 2.85Å; R50-E202 IonicContact NE-OE2 3.6Å; R50-E202 PolarHBondContact NE-OE2 2.85Å; R50-E202 IonicContact NH2-OE1 3.41Å; R50-E202 PolarHBondContact NH2-OE1 2.9Å; R50-E202 IonicContact NH2-OE2 2.69Å; R50-E202 PolarHBondContact NH2-OE2 2.94Å
203	G	86.8	Confident	84.9	Confident	30 Å²	30	75.2 Å²	75.2	31%	0.309	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.8	168.4	-172.5	0	0	0	0	0	114.5	L39 M201	L39-G203 CarbonylContact O-C 3.59Å; L39-G203 WeakPolarHBondContact O-CA 3.37Å; M201-G203 PolarHBondContact O-N 2.71Å
204	V	93.1	Very high	82.7	Confident	96 Å²	96	83.7 Å²	83.7	58%	0.582	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	107	169	-179	0	0	0	0	106.9	S38 L39	S38-V204 WeakPolarHBondContact CA-O 3.23Å; S38-V204 WeakPolarHBondContact CB-O 3.22Å; L39-V204 PolarHBondContact N-O 2.93Å; L39-V204 PolarHBondContact O-N 2.87Å
205	F	92.1	Very high	80.7	Confident	51 Å²	51	85.8 Å²	85.8	22%	0.224	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-94.4	128.7	-178.3	-60.7	-84.2	0	0	0	110.7	V34 S38 V40 R154	V34-F205 HydrophobicContact CG2-CE1 4.28Å; S38-F205 WeakPolarHBondContact OG-CA 3.28Å; V40-F205 HydrophobicContact CG1-CD1 4.28Å; V40-F205 HydrophobicContact CG1-CE1 3.59Å; V40-F205 HydrophobicContact CG1-CZ 4.04Å; R154-F205 HydrophobicContact CG-CD1 4.21Å; R154-F205 HydrophobicContact CG-CE1 3.75Å; R154-F205 HydrophobicContact CG-CZ 4.06Å; R154-F205 VanDerWaalsContact CZ-CB 3.48Å; R154-F205 VanDerWaalsContact CZ-CG 3.41Å
206	I	90.6	Very high	78.8	Confident	24 Å²	24	89.5 Å²	89.5	12%	0.123	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-83.1	125.1	-177.9	-60	178.2	0	0	0	109.3	T35 G37 S38 R92	T35-I206 WeakPolarHBondContact CB-O 3.2Å; T35-I206 WeakPolarHBondContact CG2-O 3.43Å; T35-I206 PolarHBondContact OG1-N 3.49Å; T35-I206 PolarHBondContact OG1-O 2.52Å; G37-I206 VanDerWaalsContact O-CD1 3.24Å; G37-I206 WeakPolarHBondContact O-CD1 3.1Å; S38-I206 PolarHBondContact OG-N 2.72Å; S38-I206 VanDerWaalsContact OG-N 3.13Å; R92-I206 HydrophobicContact CG-CD1 3.68Å; R92-I206 HydrophobicContact CG-CG2 3.96Å
207	Q	85.9	Confident	76.4	Confident	159 Å²	159	98 Å²	98	74%	0.743	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-72.8	142.2	172.4	-67	-176.5	-11.4	0	0	110.7	S209	Q207-S209 PolarHBondContact O-N 3.24Å
208	P	77.9	Confident	74.1	Confident	56 Å²	56	108 Å²	108	36%	0.364	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-59.4	139.4	172.1	-17	27.8	0	0	0	110.8	L31 G93 Q210	L31-P208 HydrophobicContact CD1-CG 3.47Å; L31-P208 VanDerWaalsContact CD1-CG 3.47Å; G93-P208 WeakPolarHBondContact O-CG 3.43Å; P208-Q210 PolarHBondContact O-N 3.31Å
209	S	68.4	Low	72.9	Confident	75 Å²	75	113.4 Å²	113.4	52%	0.524	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-63.9	122.6	171.6	52.5	0	0	0	0	109.7	Q207 E211	Q207-S209 PolarHBondContact O-N 3.24Å; S209-E211 VanDerWaalsContact C-N 3.28Å; S209-E211 PolarHBondContact O-N 3.39Å
210	Q	62	Low	71.6	Confident	199 Å²	199	114.9 Å²	114.9	93%	0.93	59%	0.585	S	S	*	*			trans	-76.4	-12.4	178.6	-68.9	-169.9	-13.7	0	0	113.6	P208	P208-Q210 PolarHBondContact O-N 3.31Å
211	E	56.8	Low	70.2	Confident	164 Å²	164	121.1 Å²	121.1	77%	0.766	62%	0.616	S	S	*	*	S	Bend	trans	-93	128.4	178.7	-66.2	-139.7	153.5	0	0	112.2	S209 L213	S209-E211 VanDerWaalsContact C-N 3.28Å; S209-E211 PolarHBondContact O-N 3.39Å; E211-L213 PolarHBondContact O-N 3.44Å
212	P	50.1	Low	68.8	Low	115 Å²	115	124.4 Å²	124.4	75%	0.747	63%	0.633	S	S	*	*			trans	-59.1	133.2	164.3	-13.9	26.9	0	0	0	108.7	R214	P212-R214 PolarHBondContact O-N 3.34Å
213	L	52.8	Low	67.5	Low	142 Å²	142	127.9 Å²	127.9	74%	0.743	65%	0.653	S	S	*	*			trans	-55.8	100	170.1	-71.1	163.3	0	0	0	108.4	E211 H215	E211-L213 PolarHBondContact O-N 3.44Å; L213-H215 PolarHBondContact O-N 3.14Å; L213-H215 VanDerWaalsContact O-N 3.11Å
214	R	51.3	Low	66.2	Low	220 Å²	220	134.5 Å²	134.5	83%	0.83	68%	0.676	S	S	*	*			trans	-65.2	110	161.7	-86.3	-176.5	166.9	173.2	-3	105.9	P212 D216	P212-R214 PolarHBondContact O-N 3.34Å; R214-D216 PolarHBondContact O-N 3.43Å
215	H	54.8	Low	64.3	Low	159 Å²	159	137.2 Å²	137.2	74%	0.736	68%	0.683	S	S	*	*			trans	-65	93	157.6	-85.1	-140.2	0	0	0	105.9	L213 E217	L213-H215 PolarHBondContact O-N 3.14Å; L213-H215 VanDerWaalsContact O-N 3.11Å; H215-E217 VanDerWaalsContact C-N 3.26Å; H215-E217 PolarHBondContact O-N 2.86Å
216	D	58.2	Low	62.1	Low	133 Å²	133	143.8 Å²	143.8	71%	0.711	72%	0.718	S	S	*	*			trans	-70.7	95.1	161.6	-70.6	-22.9	0	0	0	105.6	R214 L218	R214-D216 PolarHBondContact O-N 3.43Å; D216-L218 PolarHBondContact O-N 3.32Å
217	E	48.7	Very low	59.7	Low	180 Å²	180	153.8 Å²	153.8	84%	0.841	77%	0.768	S	S	*	*			trans	-68.3	113.2	166.5	-59.7	-145.9	142.4	0	0	107.4	H215	H215-E217 VanDerWaalsContact C-N 3.26Å; H215-E217 PolarHBondContact O-N 2.86Å
218	L	50.3	Low	57.4	Low	244 Å²	244	153.4 Å²	153.4	100%	1.277	77%	0.77	S	S	*	*			trans	-93.7	0	166.3	-74.1	172.3	0	0	0	109.8	D216	D216-L218 PolarHBondContact O-N 3.32Å

Retrieved 218 of 218 residues in 218.8 ms (Link to these results)

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