A0A077YYQ1_TRITR Loading...

EMP24 GP25L domain containing protein

AlphaFold DB , UniProt , Accession A0A077YYQ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 166 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	62.9	Low	76.2	Confident	220 Å²	220	106.3 Å²	106.3	100%	1.084	59%	0.594	S	S	*	*				0	118.2	0	-103.9	147.6	58	0	0	108.2	V3	M1-V3 PolarHBondContact O-N 3.43Å
2	N	75.1	Confident	75.3	Confident	137 Å²	137	109.2 Å²	109.2	73%	0.733	60%	0.596	S	S	*	*			trans	-79.4	113	-171.8	-136.7	-7.9	0	0	0	109.1	L4 G5 V6	N2-L4 PolarHBondContact O-N 2.97Å; N2-L4 VanDerWaalsContact O-N 3.14Å; N2-G5 WeakPolarHBondContact O-CA 3.42Å; N2-G5 PolarHBondContact O-N 2.92Å; N2-V6 PolarHBondContact O-N 2.96Å
3	V	81.3	Confident	74.5	Confident	112 Å²	112	108.5 Å²	108.5	68%	0.679	59%	0.59	S	S	*	*	H	α-helix	trans	-54.7	-36	-173.8	-178	0	0	0	0	111.5	M1 G5 V6 L7	M1-V3 PolarHBondContact O-N 3.43Å; V3-G5 VanDerWaalsContact C-N 3.33Å; V3-G5 PolarHBondContact O-N 3.22Å; V3-V6 PolarHBondContact O-N 2.94Å; V3-L7 PolarHBondContact O-N 3.17Å
4	L	79.3	Confident	73.7	Confident	130 Å²	130	106.7 Å²	106.7	68%	0.681	59%	0.585	S	S	*	*	H	α-helix	trans	-62.3	-38.2	175.4	-162.6	70.6	0	0	0	112.6	N2 L7 V8	N2-L4 PolarHBondContact O-N 2.97Å; N2-L4 VanDerWaalsContact O-N 3.14Å; L4-L7 PolarHBondContact O-N 2.87Å; L4-V8 VanDerWaalsContact O-CG2 3.26Å; L4-V8 WeakPolarHBondContact O-CG2 3.18Å; L4-V8 PolarHBondContact O-N 2.51Å
5	G	78.6	Confident	72.8	Confident	38 Å²	38	105.7 Å²	105.7	39%	0.392	59%	0.587	S	S	.	*	H	α-helix	trans	-69	-37.3	176.9	0	0	0	0	0	112.7	N2 V3 V9	N2-G5 WeakPolarHBondContact O-CA 3.42Å; N2-G5 PolarHBondContact O-N 2.92Å; V3-G5 VanDerWaalsContact C-N 3.33Å; V3-G5 PolarHBondContact O-N 3.22Å; G5-V9 WeakPolarHBondContact O-CB 3.15Å; G5-V9 VanDerWaalsContact O-CG2 3.26Å; G5-V9 WeakPolarHBondContact O-CG2 3.43Å; G5-V9 PolarHBondContact O-N 3.13Å
6	V	82.3	Confident	71.5	Confident	69 Å²	69	112.6 Å²	112.6	42%	0.418	60%	0.601	S	S	.	*	H	α-helix	trans	-66.9	-40.6	174.8	179.5	0	0	0	0	110.7	N2 V3 V9 L10	N2-V6 PolarHBondContact O-N 2.96Å; V3-V6 PolarHBondContact O-N 2.94Å; V6-V9 PolarHBondContact O-N 3.44Å; V6-L10 HydrophobicContact CG1-CD1 3.89Å; V6-L10 HydrophobicContact CG1-CG 4.48Å; V6-L10 WeakPolarHBondContact O-CB 3.28Å; V6-L10 WeakPolarHBondContact O-CG 3.27Å; V6-L10 PolarHBondContact O-N 2.76Å
7	L	80.4	Confident	70.1	Confident	102 Å²	102	112.4 Å²	112.4	53%	0.534	61%	0.605	S	S	.	*	H	α-helix	trans	-65.2	-40.8	178.4	-143.7	108.3	0	0	0	112.1	V3 L4 L10 L11	V3-L7 PolarHBondContact O-N 3.17Å; L4-L7 PolarHBondContact O-N 2.87Å; L7-L10 PolarHBondContact O-N 3.31Å; L7-L11 HydrophobicContact CD2-CD1 4.39Å; L7-L11 WeakPolarHBondContact O-CG 3.48Å; L7-L11 PolarHBondContact O-N 2.6Å
8	V	81.1	Confident	69.2	Low	68 Å²	68	112.2 Å²	112.2	41%	0.412	61%	0.608	S	S	.	*	H	α-helix	trans	-66.3	-43.5	176.1	171.8	0	0	0	0	111	L4 L10 L11 F12	L4-V8 VanDerWaalsContact O-CG2 3.26Å; L4-V8 WeakPolarHBondContact O-CG2 3.18Å; L4-V8 PolarHBondContact O-N 2.51Å; V8-L10 PolarHBondContact O-N 3.22Å; V8-L11 PolarHBondContact O-N 3.41Å; V8-F12 HydrophobicContact CG1-CD2 3.8Å; V8-F12 HydrophobicContact CG1-CE2 3.92Å; V8-F12 WeakPolarHBondContact O-CD2 3.46Å; V8-F12 PolarHBondContact O-N 2.83Å
9	V	77.2	Confident	67.9	Low	87 Å²	87	109 Å²	109	53%	0.527	60%	0.604	S	S	.	*	H	α-helix	trans	-64	-40.9	176.8	171	0	0	0	0	111.5	G5 V6 L11 F12 I13	G5-V9 WeakPolarHBondContact O-CB 3.15Å; G5-V9 VanDerWaalsContact O-CG2 3.26Å; G5-V9 WeakPolarHBondContact O-CG2 3.43Å; G5-V9 PolarHBondContact O-N 3.13Å; V6-V9 PolarHBondContact O-N 3.44Å; V9-L11 PolarHBondContact O-N 3.45Å; V9-F12 PolarHBondContact O-N 3.37Å; V9-I13 HydrophobicContact CG1-CD1 3.72Å; V9-I13 HydrophobicContact CG1-CG1 4.42Å; V9-I13 VanDerWaalsContact O-CG1 3.26Å; V9-I13 WeakPolarHBondContact O-CG1 3.32Å; V9-I13 PolarHBondContact O-N 3.1Å
10	L	71.6	Confident	66.4	Low	99 Å²	99	114.1 Å²	114.1	52%	0.518	61%	0.614	S	S	.	*	H	α-helix	trans	-62.8	-40.2	174.7	-77.3	164.8	0	0	0	112.4	V6 L7 V8 I13 T14	V6-L10 HydrophobicContact CG1-CD1 3.89Å; V6-L10 HydrophobicContact CG1-CG 4.48Å; V6-L10 WeakPolarHBondContact O-CB 3.28Å; V6-L10 WeakPolarHBondContact O-CG 3.27Å; V6-L10 PolarHBondContact O-N 2.76Å; L7-L10 PolarHBondContact O-N 3.31Å; V8-L10 PolarHBondContact O-N 3.22Å; L10-I13 PolarHBondContact O-N 3.14Å; L10-T14 WeakPolarHBondContact O-CG2 3.09Å; L10-T14 PolarHBondContact O-N 2.9Å; L10-T14 VanDerWaalsContact O-N 3.07Å; L10-T14 PolarHBondContact O-OG1 2.89Å
11	L	68.4	Low	65.4	Low	107 Å²	107	112.8 Å²	112.8	56%	0.56	60%	0.604	S	S	*	*	H	α-helix	trans	-65.3	-37.7	174.6	-78.2	165	0	0	0	112.7	L7 V8 V9 T14 C15	L7-L11 HydrophobicContact CD2-CD1 4.39Å; L7-L11 WeakPolarHBondContact O-CG 3.48Å; L7-L11 PolarHBondContact O-N 2.6Å; V8-L11 PolarHBondContact O-N 3.41Å; V9-L11 PolarHBondContact O-N 3.45Å; L11-T14 PolarHBondContact O-OG1 3.27Å; L11-C15 WeakPolarHBondContact O-CB 3.15Å; L11-C15 PolarHBondContact O-N 2.88Å
12	F	64.7	Low	64.7	Low	141 Å²	141	105 Å²	105	62%	0.618	57%	0.565	S	S	*	*	H	α-helix	trans	-70.1	-34.8	175.9	-93.9	-79.9	0	0	0	112.7	V8 V9 R16	V8-F12 HydrophobicContact CG1-CD2 3.8Å; V8-F12 HydrophobicContact CG1-CE2 3.92Å; V8-F12 WeakPolarHBondContact O-CD2 3.46Å; V8-F12 PolarHBondContact O-N 2.83Å; V9-F12 PolarHBondContact O-N 3.37Å; F12-R16 VanDerWaalsContact O-CG 3.25Å; F12-R16 WeakPolarHBondContact O-CG 3.46Å; F12-R16 PolarHBondContact O-N 2.91Å
13	I	65.3	Low	63.7	Low	101 Å²	101	99.8 Å²	99.8	52%	0.518	54%	0.539	S	S	.	.	H	α-helix	trans	-70.7	-43.2	177.5	-68.3	166.1	0	0	0	110.9	V9 L10 C15 R16	V9-I13 HydrophobicContact CG1-CD1 3.72Å; V9-I13 HydrophobicContact CG1-CG1 4.42Å; V9-I13 VanDerWaalsContact O-CG1 3.26Å; V9-I13 WeakPolarHBondContact O-CG1 3.32Å; V9-I13 PolarHBondContact O-N 3.1Å; L10-I13 PolarHBondContact O-N 3.14Å; I13-C15 VanDerWaalsContact C-N 3.33Å; I13-C15 PolarHBondContact O-N 3.34Å; I13-R16 PolarHBondContact O-N 2.74Å
14	T	63.2	Low	62.9	Low	83 Å²	83	95 Å²	95	51%	0.509	51%	0.509	S	S	.	.	H	α-helix	trans	-70.3	-28.2	179.4	54.6	0	0	0	0	113.3	L10 L11 R16 T17	L10-T14 WeakPolarHBondContact O-CG2 3.09Å; L10-T14 PolarHBondContact O-N 2.9Å; L10-T14 VanDerWaalsContact O-N 3.07Å; L10-T14 PolarHBondContact O-OG1 2.89Å; L11-T14 PolarHBondContact O-OG1 3.27Å; T14-R16 VanDerWaalsContact C-N 3.34Å; T14-T17 PolarHBondContact O-OG1 2.84Å
15	C	60.4	Low	62.9	Low	92 Å²	92	89 Å²	89	62%	0.622	48%	0.478	S	S	*	.	H	α-helix	trans	-70.7	-30.3	174.7	-171	0	0	0	0	112.5	L11 I13 T17	L11-C15 WeakPolarHBondContact O-CB 3.15Å; L11-C15 PolarHBondContact O-N 2.88Å; I13-C15 VanDerWaalsContact C-N 3.33Å; I13-C15 PolarHBondContact O-N 3.34Å; C15-T17 VanDerWaalsContact C-N 3.34Å; C15-T17 PolarHBondContact O-N 2.66Å
16	R	51.4	Low	63.3	Low	215 Å²	215	87.2 Å²	87.2	81%	0.811	46%	0.459	S	S	*	.	H	α-helix	trans	-76.3	-17.8	-179.9	-69.8	-80.8	-177.8	177.4	-0.8	113.9	F12 I13 T14	F12-R16 VanDerWaalsContact O-CG 3.25Å; F12-R16 WeakPolarHBondContact O-CG 3.46Å; F12-R16 PolarHBondContact O-N 2.91Å; I13-R16 PolarHBondContact O-N 2.74Å; T14-R16 VanDerWaalsContact C-N 3.34Å
17	T	47.4	Very low	63.8	Low	109 Å²	109	86 Å²	86	67%	0.669	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	4.1	-179.6	53.5	0	0	0	0	113.8	T14 C15 G19	T14-T17 PolarHBondContact O-OG1 2.84Å; C15-T17 VanDerWaalsContact C-N 3.34Å; C15-T17 PolarHBondContact O-N 2.66Å; T17-G19 PolarHBondContact O-N 3.03Å
18	V	54.4	Low	64.4	Low	109 Å²	109	81.1 Å²	81.1	66%	0.661	43%	0.426	S	S	*	.			trans	-74.1	87.9	169.4	-175.5	0	0	0	0	107.3	R20	V18-R20 PolarHBondContact O-N 3.23Å
19	G	45.2	Very low	65.1	Low	52 Å²	52	80.3 Å²	80.3	54%	0.536	42%	0.423	S	S	.	.			trans	-53.5	136.4	166.8	0	0	0	0	0	108.9	T17 E21	T17-G19 PolarHBondContact O-N 3.03Å; G19-E21 PolarHBondContact O-N 2.9Å
20	R	38.1	Very low	66	Low	210 Å²	210	77.2 Å²	77.2	79%	0.792	41%	0.407	S	S	*	.			trans	-72.1	82.4	173	-179.7	178.9	151.3	111.4	-6	107.5	V18 E22	V18-R20 PolarHBondContact O-N 3.23Å; R20-E22 HydrophobicContact CG-CG 4.17Å; R20-E22 IonicContact CZ-OE1 2.59Å; R20-E22 IonicContact NE-OE1 3.82Å; R20-E22 PolarHBondContact NE-OE1 3.25Å; R20-E22 IonicContact NH1-OE1 2.99Å; R20-E22 IonicContact NH2-OE1 3.42Å; R20-E22 PolarHBondContact NH2-OE1 2.82Å; R20-E22 IonicContact NH2-OE2 3.65Å; R20-E22 PolarHBondContact O-N 3.02Å
21	E	45.4	Very low	67.1	Low	88 Å²	88	75.2 Å²	75.2	41%	0.411	40%	0.401	S	S	.	.			trans	-83.9	101	171.3	-70.6	-176.7	144.2	0	0	107.5	G19 S23 Y152 K156	G19-E21 PolarHBondContact O-N 2.9Å; E21-S23 PolarHBondContact O-N 2.83Å; E21-Y152 VanDerWaalsContact CD-CE1 3.49Å; E21-Y152 WeakPolarHBondContact OE1-CE1 3.49Å; E21-Y152 PolarHBondContact OE1-OH 3.23Å; E21-Y152 WeakPolarHBondContact OE2-CE1 3.44Å; E21-K156 IonicContact OE1-NZ 2.92Å; E21-K156 PolarHBondContact OE1-NZ 3.02Å
22	E	47	Very low	68.5	Low	57 Å²	57	77.4 Å²	77.4	27%	0.266	40%	0.402	S	S	.	.			trans	-78.8	108.2	173.9	-63.6	-153.6	137.7	0	0	109.2	R20 F24 F127	R20-E22 HydrophobicContact CG-CG 4.17Å; R20-E22 IonicContact CZ-OE1 2.59Å; R20-E22 IonicContact NE-OE1 3.82Å; R20-E22 PolarHBondContact NE-OE1 3.25Å; R20-E22 IonicContact NH1-OE1 2.99Å; R20-E22 IonicContact NH2-OE1 3.42Å; R20-E22 PolarHBondContact NH2-OE1 2.82Å; R20-E22 IonicContact NH2-OE2 3.65Å; R20-E22 PolarHBondContact O-N 3.02Å; E22-F24 HydrophobicContact CB-CE1 4.4Å; E22-F24 HydrophobicContact CB-CE2 3.79Å; E22-F24 HydrophobicContact CB-CZ 3.6Å; E22-F24 HydrophobicContact CG-CZ 4.47Å; E22-F127 WeakPolarHBondContact O-CE1 3.26Å
23	S	54.1	Low	70	Confident	27 Å²	27	75.3 Å²	75.3	19%	0.189	40%	0.396	C	S	.	.			trans	-106.8	132.6	173.4	40.3	0	0	0	0	108.6	E21 V148	E21-S23 PolarHBondContact O-N 2.83Å; S23-V148 VanDerWaalsContact CB-CG1 3.48Å; S23-V148 WeakPolarHBondContact OG-CG1 2.99Å
24	F	64.8	Low	71.3	Confident	11 Å²	11	71.7 Å²	71.7	5%	0.048	38%	0.377	C	S	.	.			trans	-114.1	139.4	-174.1	-58.9	-75.9	0	0	0	110.4	E22 F112 F127 L132 V139 H141	E22-F24 HydrophobicContact CB-CE1 4.4Å; E22-F24 HydrophobicContact CB-CE2 3.79Å; E22-F24 HydrophobicContact CB-CZ 3.6Å; E22-F24 HydrophobicContact CG-CZ 4.47Å; F24-F112 VanDerWaalsContact O-CD2 3.29Å; F24-F112 WeakPolarHBondContact O-CD2 3.42Å; F24-F127 AromaticContact CD2-CE1 3.81Å; F24-F127 HydrophobicContact CD2-CE1 3.81Å; F24-F127 HydrophobicContact CD2-CZ 4.21Å; F24-F127 AromaticContact CE2-CE1 3.89Å; F24-F127 HydrophobicContact CE2-CE1 3.89Å; F24-L132 HydrophobicContact CD1-CD2 4.3Å; F24-L132 HydrophobicContact CE1-CD2 3.71Å; F24-L132 HydrophobicContact CE2-CD2 4.46Å; F24-L132 HydrophobicContact CZ-CD2 3.8Å; F24-L132 HydrophobicContact CZ-CG 4.32Å; F24-V139 HydrophobicContact CB-CG1 4.03Å; F24-V139 HydrophobicContact CD1-CG1 3.57Å; F24-V139 HydrophobicContact CE1-CG1 4.43Å; F24-V139 HydrophobicContact CG-CG1 4.11Å; F24-H141 AromaticContact CE1-NE2 3.84Å
25	S	80.2	Confident	72.8	Confident	3 Å²	3	69.5 Å²	69.5	2%	0.021	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	145.2	169	56.5	0	0	0	0	109.2	V111 T140	S25-V111 WeakPolarHBondContact CA-O 3.18Å; S25-T140 PolarHBondContact O-N 3.27Å; S25-T140 VanDerWaalsContact O-O 3.14Å; S25-T140 PolarHBondContact OG-O 2.8Å
26	I	87.4	Confident	74.4	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.005	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	149.1	179.9	58.4	172.1	0	0	0	110	I28 F36 F99 T110 V111 F113 V139	I26-I28 HydrophobicContact CB-CD1 4.47Å; I26-I28 HydrophobicContact CD1-CD1 3.5Å; I26-I28 HydrophobicContact CD1-CG1 4.35Å; I26-I28 HydrophobicContact CG1-CD1 3.98Å; I26-F36 HydrophobicContact CB-CZ 4.34Å; I26-F36 HydrophobicContact CD1-CD2 4.21Å; I26-F36 HydrophobicContact CD1-CE2 3.29Å; I26-F36 HydrophobicContact CD1-CZ 3.59Å; I26-F36 HydrophobicContact CG2-CE1 4.29Å; I26-F36 HydrophobicContact CG2-CZ 3.88Å; I26-F99 HydrophobicContact CD1-CD2 3.61Å; I26-F99 HydrophobicContact CD1-CE2 3.84Å; I26-F99 HydrophobicContact CD1-CG 4.37Å; I26-T110 CarbonylContact O-C 3.5Å; I26-T110 WeakPolarHBondContact O-CA 3.34Å; I26-V111 HydrophobicContact CG1-CB 4.18Å; I26-V111 WeakPolarHBondContact CG1-O 3.24Å; I26-V111 PolarHBondContact N-O 3.48Å; I26-V111 PolarHBondContact O-N 3.43Å; I26-F113 HydrophobicContact CD1-CD1 3.88Å; I26-F113 HydrophobicContact CD1-CE1 3.74Å; I26-F113 HydrophobicContact CG1-CD1 4.11Å; I26-F113 HydrophobicContact CG1-CE1 4.11Å; I26-F113 HydrophobicContact CG2-CE1 3.86Å; I26-V139 HydrophobicContact CG2-CG2 4Å
27	V	91.6	Very high	76.3	Confident	43 Å²	43	61.3 Å²	61.3	26%	0.261	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	107.1	174.9	-179.6	0	0	0	0	109.2	P29 A108 K109 T110 I138	V27-P29 VanDerWaalsContact O-CD 3.28Å; V27-P29 WeakPolarHBondContact O-CD 3.17Å; V27-A108 HydrophobicContact CG1-CB 3.95Å; V27-K109 CarbonylContact C-O 3.6Å; V27-K109 WeakPolarHBondContact CA-O 3.29Å; V27-T110 HydrophobicContact CG2-CG2 4.45Å; V27-I138 HydrophobicContact CB-CG2 4.21Å; V27-I138 WeakPolarHBondContact O-CG2 3.11Å
28	I	93.4	Very high	78.3	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	112.6	174.9	-48	-50.8	0	0	0	108.7	I26 Q34 F99 N101 A108 K109 V111	I26-I28 HydrophobicContact CB-CD1 4.47Å; I26-I28 HydrophobicContact CD1-CD1 3.5Å; I26-I28 HydrophobicContact CD1-CG1 4.35Å; I26-I28 HydrophobicContact CG1-CD1 3.98Å; I28-Q34 HydrophobicContact CD1-CB 3.9Å; I28-F99 HydrophobicContact CD1-CB 4.06Å; I28-F99 HydrophobicContact CG1-CB 3.89Å; I28-N101 HydrophobicContact CB-CB 4.25Å; I28-N101 HydrophobicContact CG2-CB 3.56Å; I28-N101 PolarHBondContact O-ND2 2.9Å; I28-A108 CarbonylContact O-C 3.38Å; I28-A108 VanDerWaalsContact O-CA 3.27Å; I28-A108 WeakPolarHBondContact O-CA 3.32Å; I28-K109 PolarHBondContact N-O 3.37Å; I28-K109 PolarHBondContact O-N 2.81Å; I28-V111 HydrophobicContact CG1-CG2 4.34Å
29	P	95.2	Very high	79.9	Confident	51 Å²	51	53.7 Å²	53.7	33%	0.331	28%	0.278	S	S	.	.			trans	-61.8	163.1	-179.8	-20.1	33.1	0	0	0	112.2	V27 R32 N101	V27-P29 VanDerWaalsContact O-CD 3.28Å; V27-P29 WeakPolarHBondContact O-CD 3.17Å; P29-R32 HydrophobicContact CB-CB 4.27Å; P29-R32 HydrophobicContact CB-CG 3.93Å; P29-R32 HydrophobicContact CG-CG 4.26Å; P29-N101 PolarHBondContact O-ND2 3.22Å
30	A	96.2	Very high	82.1	Confident	23 Å²	23	51.4 Å²	51.4	19%	0.19	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	146.3	170.2	0	0	0	0	0	110.6	R32	A30-R32 PolarHBondContact O-N 2.05Å
31	S	96.1	Very high	84.5	Confident	56 Å²	56	50.4 Å²	50.4	39%	0.392	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	32.7	176.4	-57.1	0	0	0	0	113.4	N101 S104	S31-N101 PolarHBondContact N-O 3.43Å; S31-N101 VanDerWaalsContact N-O 3.1Å; S31-S104 PolarHBondContact N-O 2.99Å; S31-S104 PolarHBondContact OG-O 3.37Å
32	R	96.8	Very high	86.4	Confident	154 Å²	154	50.3 Å²	50.3	58%	0.581	25%	0.249	S	C	*	.			trans	-133.6	147.8	-179.7	-72.2	-65.6	-168.4	-94.2	1.5	111.7	P29 A30 N101 T102	P29-R32 HydrophobicContact CB-CB 4.27Å; P29-R32 HydrophobicContact CB-CG 3.93Å; P29-R32 HydrophobicContact CG-CG 4.26Å; A30-R32 PolarHBondContact O-N 2.05Å; R32-N101 CarbonylContact O-C 3.58Å; R32-N101 WeakPolarHBondContact O-CA 3.12Å; R32-N101 PolarHBondContact O-N 3.01Å; R32-T102 PolarHBondContact O-N 2.89Å
33	L	95.6	Very high	88	Confident	97 Å²	97	53.7 Å²	53.7	51%	0.508	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.9	167.2	172	147.5	0	0	0	107.2	C35 F99 D100 T102	L33-C35 VanDerWaalsContact CD2-SG 3.53Å; L33-F99 WeakPolarHBondContact CA-O 3.47Å; L33-D100 HydrophobicContact CB-CB 4.42Å; L33-D100 HydrophobicContact CD1-CB 3.85Å; L33-D100 HydrophobicContact CG-CB 4.27Å; L33-T102 HydrophobicContact CB-CG2 4.12Å
34	Q	94.1	Very high	89.6	Confident	25 Å²	25	55 Å²	55	12%	0.117	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	132.9	179.8	-169.6	160.3	8.6	0	0	110.1	I28 F36 C98 F99 T136	I28-Q34 HydrophobicContact CD1-CB 3.9Å; Q34-F36 HydrophobicContact CB-CE2 4.43Å; Q34-F36 HydrophobicContact CG-CE2 3.82Å; Q34-F36 HydrophobicContact CG-CZ 3.83Å; Q34-C98 CarbonylContact O-C 3.54Å; Q34-C98 WeakPolarHBondContact O-CA 3.25Å; Q34-F99 PolarHBondContact N-O 2.65Å; Q34-F99 PolarHBondContact O-N 3.13Å; Q34-T136 PolarHBondContact NE2-OG1 2.86Å; Q34-T136 VanDerWaalsContact NE2-OG1 3.13Å
35	C	94.8	Very high	90.7	Very high	37 Å²	37	56 Å²	56	25%	0.25	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	146.9	-178.4	-55.2	0	0	0	0	111.3	L33 Q96 I97 C98	L33-C35 VanDerWaalsContact CD2-SG 3.53Å; C35-Q96 HydrophobicContact CB-CG 4.04Å; C35-Q96 PolarHBondContact SG-NE2 2.92Å; C35-Q96 VanDerWaalsContact SG-NE2 3.37Å; C35-I97 CarbonylContact C-O 3.52Å; C35-I97 VanDerWaalsContact CA-O 3.24Å; C35-I97 WeakPolarHBondContact CA-O 3.49Å; C35-C98 HydrophobicContact CB-CB 4.12Å; C35-C98 WeakPolarHBondContact CB-SG 3.35Å; C35-C98 WeakPolarHBondContact SG-CB 3.42Å; C35-C98 CovalentContact SG-SG 2.05Å; C35-C98 PolarHBondContact SG-SG 3.37Å
36	F	92.4	Very high	91.3	Very high	21 Å²	21	58.5 Å²	58.5	9%	0.092	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	156.4	176.3	-57.8	-90.7	0	0	0	108.2	I26 Q34 I97 F99 F113	I26-F36 HydrophobicContact CB-CZ 4.34Å; I26-F36 HydrophobicContact CD1-CD2 4.21Å; I26-F36 HydrophobicContact CD1-CE2 3.29Å; I26-F36 HydrophobicContact CD1-CZ 3.59Å; I26-F36 HydrophobicContact CG2-CE1 4.29Å; I26-F36 HydrophobicContact CG2-CZ 3.88Å; Q34-F36 HydrophobicContact CB-CE2 4.43Å; Q34-F36 HydrophobicContact CG-CE2 3.82Å; Q34-F36 HydrophobicContact CG-CZ 3.83Å; F36-I97 PolarHBondContact N-O 2.86Å; F36-I97 PolarHBondContact O-N 2.85Å; F36-F99 HydrophobicContact CD2-CD2 4.18Å; F36-F99 HydrophobicContact CD2-CE2 4.36Å; F36-F99 HydrophobicContact CE2-CD2 4.13Å; F36-F113 HydrophobicContact CD1-CZ 4.47Å; F36-F113 HydrophobicContact CD2-CZ 4.44Å; F36-F113 HydrophobicContact CG-CZ 4.25Å
37	F	91.6	Very high	91.5	Very high	113 Å²	113	59.5 Å²	59.5	50%	0.496	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	132.8	-177.1	-65.4	-91.6	0	0	0	110	D94 Y95 Q96	F37-D94 HydrophobicContact CD1-CB 4.2Å; F37-Y95 CarbonylContact C-O 3.56Å; F37-Y95 VanDerWaalsContact CA-O 3.29Å; F37-Y95 WeakPolarHBondContact CA-O 3.16Å; F37-Q96 HydrophobicContact CD1-CB 3.89Å; F37-Q96 HydrophobicContact CD1-CG 4.11Å; F37-Q96 HydrophobicContact CE1-CB 3.64Å; F37-Q96 HydrophobicContact CE1-CG 3.55Å; F37-Q96 HydrophobicContact CZ-CB 4.43Å; F37-Q96 HydrophobicContact CZ-CG 3.83Å
38	E	89.1	Confident	91.5	Very high	27 Å²	27	57.5 Å²	57.5	13%	0.126	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.4	169.7	-171.2	60.3	-134.3	0	0	109.4	D94 Y95 V115 L117 S130	E38-D94 WeakPolarHBondContact O-CA 3.15Å; E38-Y95 PolarHBondContact N-O 2.95Å; E38-Y95 PolarHBondContact O-N 3.33Å; E38-V115 HydrophobicContact CB-CG1 4.4Å; E38-V115 HydrophobicContact CG-CG1 3.91Å; E38-L117 HydrophobicContact CG-CD1 4.42Å; E38-L117 HydrophobicContact CG-CD2 4.4Å; E38-S130 PolarHBondContact OE1-OG 3.4Å; E38-S130 VanDerWaalsContact OE2-CB 3.28Å; E38-S130 WeakPolarHBondContact OE2-CB 2.92Å
39	S	90	Very high	91.4	Very high	31 Å²	31	58.2 Å²	58.2	22%	0.217	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	108.7	-176.5	-66.9	0	0	0	0	111.7	R41 D94	S39-R41 PolarHBondContact O-N 2.67Å; S39-R41 PolarHBondContact OG-NH2 2.81Å; S39-D94 WeakPolarHBondContact CA-OD1 3.28Å; S39-D94 WeakPolarHBondContact CB-OD1 3.3Å; S39-D94 PolarHBondContact OG-OD1 2.83Å
40	V	90.9	Very high	91.2	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.024	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	97.7	171.7	-177.3	0	0	0	0	109.2	Y45 L89 K92 G93 Y95 L117	V40-Y45 HydrophobicContact CG1-CD2 4.23Å; V40-L89 HydrophobicContact CG1-CD1 4.13Å; V40-L89 HydrophobicContact CG2-CD1 4.17Å; V40-L89 HydrophobicContact CG2-CD2 4.01Å; V40-K92 VanDerWaalsContact O-CA 3.29Å; V40-K92 WeakPolarHBondContact O-CA 3.43Å; V40-K92 WeakPolarHBondContact O-CB 3.28Å; V40-G93 PolarHBondContact N-O 2.86Å; V40-G93 PolarHBondContact O-N 3.5Å; V40-Y95 HydrophobicContact CB-CD2 4.43Å; V40-Y95 HydrophobicContact CB-CE2 4.3Å; V40-Y95 HydrophobicContact CG2-CD2 3.73Å; V40-Y95 HydrophobicContact CG2-CE2 3.84Å; V40-L117 HydrophobicContact CG2-CD1 4.26Å; V40-L117 HydrophobicContact CG2-CD2 3.95Å
41	R	87.3	Confident	90.9	Very high	189 Å²	189	55.2 Å²	55.2	71%	0.713	27%	0.269	S	S	*	.			trans	-99.2	-19	-175.5	-62	-164.6	-177.2	111	8.6	115.1	S39 K92	S39-R41 PolarHBondContact O-N 2.67Å; S39-R41 PolarHBondContact OG-NH2 2.81Å; R41-K92 WeakPolarHBondContact O-CE 3.42Å; R41-K92 PolarHBondContact O-NZ 2.76Å
42	E	85	Confident	90.7	Very high	86 Å²	86	52.6 Å²	52.6	40%	0.402	25%	0.251	S	S	.	.			trans	-106	147.5	-179.9	-58.9	-169.1	-173.4	0	0	111	N44 Y45 R119	E42-N44 VanDerWaalsContact C-N 3.28Å; E42-N44 WeakPolarHBondContact CB-OD1 3.42Å; E42-N44 PolarHBondContact OE2-ND2 2.88Å; E42-N44 PolarHBondContact OE2-OD1 3.16Å; E42-Y45 HydrophobicContact CB-CD2 3.99Å; E42-Y45 HydrophobicContact CB-CE2 3.88Å; E42-Y45 HydrophobicContact CG-CE2 4.27Å; E42-R119 IonicContact OE2-CZ 3.62Å; E42-R119 IonicContact OE2-NH1 2.93Å; E42-R119 PolarHBondContact OE2-NH1 2.79Å; E42-R119 IonicContact OE2-NH2 3.37Å; E42-R119 PolarHBondContact OE2-NH2 2.82Å
43	N	81.5	Confident	90.5	Very high	128 Å²	128	46.6 Å²	46.6	68%	0.684	23%	0.229	S	C	*	.	S	Bend	trans	-85.2	-2.5	-177	-93.8	-6.9	0	0	0	113	K92	N43-K92 VanDerWaalsContact N-CE 3.26Å; N43-K92 WeakPolarHBondContact OD1-CD 3.47Å; N43-K92 WeakPolarHBondContact OD1-CE 3.19Å; N43-K92 WeakPolarHBondContact OD1-CG 3.27Å; N43-K92 PolarHBondContact OD1-NZ 2.86Å
44	N	87.5	Confident	90.4	Very high	55 Å²	55	42.3 Å²	42.3	29%	0.294	21%	0.207	S	C	.	.			trans	-92.9	-18.5	-174.4	44.3	29.4	0	0	0	112.6	E42 T46 R119 A120	E42-N44 VanDerWaalsContact C-N 3.28Å; E42-N44 WeakPolarHBondContact CB-OD1 3.42Å; E42-N44 PolarHBondContact OE2-ND2 2.88Å; E42-N44 PolarHBondContact OE2-OD1 3.16Å; N44-T46 PolarHBondContact O-N 3.28Å; N44-R119 PolarHBondContact ND2-NH1 3.46Å; N44-R119 PolarHBondContact ND2-NH2 3.46Å; N44-R119 VanDerWaalsContact O-CA 3.28Å; N44-R119 WeakPolarHBondContact O-CA 3.45Å; N44-R119 PolarHBondContact OD1-NH1 3.12Å; N44-A120 PolarHBondContact O-N 3.45Å
45	Y	88.8	Confident	90.3	Very high	32 Å²	32	42.2 Å²	42.2	13%	0.125	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	125.3	166	-57.7	-62.8	0	0	0	109	V40 E42 L117 L118 R119 D125	V40-Y45 HydrophobicContact CG1-CD2 4.23Å; E42-Y45 HydrophobicContact CB-CD2 3.99Å; E42-Y45 HydrophobicContact CB-CE2 3.88Å; E42-Y45 HydrophobicContact CG-CE2 4.27Å; Y45-L117 HydrophobicContact CD1-CB 3.5Å; Y45-L117 HydrophobicContact CD2-CB 4.39Å; Y45-L117 HydrophobicContact CD2-CD1 4.13Å; Y45-L117 HydrophobicContact CE1-CB 3.7Å; Y45-L117 HydrophobicContact CE2-CD1 4.04Å; Y45-L117 HydrophobicContact CG-CB 3.88Å; Y45-L117 HydrophobicContact CG-CD1 4.41Å; Y45-L118 CarbonylContact C-O 3.51Å; Y45-L118 VanDerWaalsContact CA-O 3.31Å; Y45-L118 WeakPolarHBondContact CA-O 3.19Å; Y45-R119 HydrophobicContact CD1-CG 3.55Å; Y45-R119 HydrophobicContact CE1-CG 3.8Å; Y45-D125 VanDerWaalsContact CE1-OD2 3.26Å; Y45-D125 WeakPolarHBondContact CE1-OD2 3.4Å; Y45-D125 PolarHBondContact OH-OD2 3.28Å
46	T	92.1	Very high	90.1	Very high	56 Å²	56	45.4 Å²	45.4	34%	0.344	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-25.5	-178	53.5	0	0	0	0	112.2	N44 L89 L118 A120	N44-T46 PolarHBondContact O-N 3.28Å; T46-L89 PolarHBondContact O-N 2.75Å; T46-L118 PolarHBondContact N-O 2.87Å; T46-L118 PolarHBondContact OG1-O 2.91Å; T46-A120 HydrophobicContact CG2-CB 3.71Å
47	T	92.1	Very high	90.1	Very high	22 Å²	22	45.6 Å²	45.6	14%	0.135	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	136.8	-175.8	-54.1	0	0	0	0	109.7	Q86 I87 L118	T47-Q86 HydrophobicContact CG2-CB 4.17Å; T47-I87 CarbonylContact C-O 3.6Å; T47-I87 WeakPolarHBondContact CA-O 3.46Å; T47-L118 HydrophobicContact CG2-CD1 4.47Å; T47-L118 PolarHBondContact N-O 3.02Å; T47-L118 PolarHBondContact O-N 2.85Å
48	M	91.3	Very high	90	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	126.1	167.6	171	-177.9	144.7	0	0	108.6	F50 V66 Q86 I87 L89 Y95 I97 V115 E116 L117	M48-F50 HydrophobicContact CE-CB 3.77Å; M48-F50 HydrophobicContact CE-CG 4.46Å; M48-V66 HydrophobicContact CE-CG1 4.31Å; M48-Q86 WeakPolarHBondContact O-CA 3.19Å; M48-I87 HydrophobicContact CB-CB 4.42Å; M48-I87 HydrophobicContact CE-CD1 4.07Å; M48-I87 PolarHBondContact N-O 2.84Å; M48-I87 PolarHBondContact O-N 3.48Å; M48-L89 HydrophobicContact CB-CD1 4.16Å; M48-L89 HydrophobicContact CB-CD2 3.79Å; M48-L89 HydrophobicContact CB-CG 4.09Å; M48-Y95 HydrophobicContact SD-CD1 4.4Å; M48-Y95 HydrophobicContact SD-CG 4.3Å; M48-I97 HydrophobicContact CE-CD1 3.75Å; M48-I97 HydrophobicContact CE-CG1 4.17Å; M48-V115 HydrophobicContact CE-CG1 3.9Å; M48-V115 HydrophobicContact CG-CG1 3.73Å; M48-V115 HydrophobicContact SD-CG1 4.01Å; M48-E116 CarbonylContact C-O 3.53Å; M48-E116 WeakPolarHBondContact CA-O 3.08Å; M48-L117 HydrophobicContact CB-CD2 3.85Å; M48-L117 HydrophobicContact CG-CD2 3.97Å
49	V	90.4	Very high	90.4	Very high	15 Å²	15	47.3 Å²	47.3	9%	0.091	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	123.4	169.8	-170.6	0	0	0	0	107.9	D51 Y85 Q86 V115 E116 L118	V49-D51 WeakPolarHBondContact CG1-OD2 3.34Å; V49-Y85 CarbonylContact C-O 3.56Å; V49-Y85 WeakPolarHBondContact CA-O 3.41Å; V49-Q86 HydrophobicContact CG2-CG 4.24Å; V49-V115 CarbonylContact O-C 3.55Å; V49-V115 WeakPolarHBondContact O-CA 3.47Å; V49-E116 HydrophobicContact CB-CB 4.3Å; V49-E116 PolarHBondContact N-O 2.92Å; V49-E116 PolarHBondContact O-N 3.41Å; V49-L118 HydrophobicContact CG2-CD1 3.54Å; V49-L118 HydrophobicContact CG2-CG 4.03Å
50	F	91.1	Very high	90.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.9	176	165.1	-115.7	0	0	0	110	M48 Y52 V64 V66 S84 Y85 I97 F99 F113 V115	M48-F50 HydrophobicContact CE-CB 3.77Å; M48-F50 HydrophobicContact CE-CG 4.46Å; F50-Y52 AromaticContact CE1-CD1 3.73Å; F50-Y52 HydrophobicContact CE1-CD1 3.73Å; F50-Y52 HydrophobicContact CE1-CE1 4.34Å; F50-Y52 AromaticContact CZ-CD1 3.72Å; F50-Y52 HydrophobicContact CZ-CD1 3.72Å; F50-Y52 HydrophobicContact CZ-CG 4.2Å; F50-V64 HydrophobicContact CE1-CG1 3.65Å; F50-V64 HydrophobicContact CZ-CG1 3.87Å; F50-V66 HydrophobicContact CD1-CG2 3.78Å; F50-V66 HydrophobicContact CE1-CG2 3.8Å; F50-S84 CarbonylContact O-C 3.57Å; F50-S84 WeakPolarHBondContact O-CA 3.1Å; F50-Y85 AromaticContact CD1-CD2 3.9Å; F50-Y85 HydrophobicContact CD1-CD2 3.9Å; F50-Y85 HydrophobicContact CE1-CD2 4.28Å; F50-Y85 PolarHBondContact N-O 2.78Å; F50-Y85 PolarHBondContact O-N 3.43Å; F50-I97 HydrophobicContact CD2-CD1 4.05Å; F50-I97 HydrophobicContact CD2-CG2 4.34Å; F50-I97 HydrophobicContact CE1-CG2 4.35Å; F50-I97 HydrophobicContact CE2-CD1 4.34Å; F50-I97 HydrophobicContact CE2-CG2 3.64Å; F50-I97 HydrophobicContact CZ-CG2 3.65Å; F50-F99 AromaticContact CE2-CZ 3.96Å; F50-F99 HydrophobicContact CE2-CZ 3.96Å; F50-F99 HydrophobicContact CZ-CE1 4.11Å; F50-F99 AromaticContact CZ-CZ 3.79Å; F50-F99 HydrophobicContact CZ-CZ 3.79Å; F50-F113 HydrophobicContact CE2-CB 4.13Å; F50-F113 HydrophobicContact CE2-CD2 4.3Å; F50-V115 HydrophobicContact CD2-CG2 4.11Å
51	D	90.4	Very high	90.9	Very high	12 Å²	12	49.9 Å²	49.9	6%	0.064	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	134.7	-172.1	-84.5	-46	0	0	0	109	V49 S84 F113 Q114 F155	V49-D51 WeakPolarHBondContact CG1-OD2 3.34Å; D51-S84 VanDerWaalsContact OD1-CA 3.29Å; D51-S84 WeakPolarHBondContact OD1-CA 3.46Å; D51-S84 WeakPolarHBondContact OD1-CB 3.3Å; D51-S84 PolarHBondContact OD1-OG 3.42Å; D51-F113 CarbonylContact O-C 3.48Å; D51-F113 WeakPolarHBondContact O-CA 3.09Å; D51-F113 WeakPolarHBondContact O-CB 3.02Å; D51-Q114 PolarHBondContact N-O 2.98Å; D51-Q114 PolarHBondContact O-N 2.59Å; D51-F155 HydrophobicContact CB-CD1 3.53Å; D51-F155 HydrophobicContact CB-CE1 3.27Å; D51-F155 HydrophobicContact CB-CG 4.31Å; D51-F155 HydrophobicContact CB-CZ 3.82Å; D51-F155 VanDerWaalsContact OD1-CE1 3.28Å; D51-F155 WeakPolarHBondContact OD1-CE1 3.24Å
52	Y	91.7	Very high	91.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	154.6	175.7	76.3	-87.1	0	0	0	112.7	F50 I62 V64 D77 K80 E82 G83 Y85 F99 V111 F112	F50-Y52 AromaticContact CE1-CD1 3.73Å; F50-Y52 HydrophobicContact CE1-CD1 3.73Å; F50-Y52 HydrophobicContact CE1-CE1 4.34Å; F50-Y52 AromaticContact CZ-CD1 3.72Å; F50-Y52 HydrophobicContact CZ-CD1 3.72Å; F50-Y52 HydrophobicContact CZ-CG 4.2Å; Y52-I62 HydrophobicContact CD2-CG2 4.1Å; Y52-I62 HydrophobicContact CE2-CG2 3.74Å; Y52-V64 HydrophobicContact CD1-CG2 4.13Å; Y52-V64 HydrophobicContact CD2-CG2 4.12Å; Y52-V64 HydrophobicContact CE1-CB 4.22Å; Y52-V64 HydrophobicContact CE1-CG1 4.36Å; Y52-V64 HydrophobicContact CE1-CG2 3.71Å; Y52-V64 HydrophobicContact CE2-CG2 3.72Å; Y52-V64 HydrophobicContact CG-CG2 4.32Å; Y52-D77 WeakPolarHBondContact OH-CB 3.47Å; Y52-D77 VanDerWaalsContact OH-CG 3.28Å; Y52-D77 PolarHBondContact OH-OD2 2.88Å; Y52-K80 WeakPolarHBondContact OH-CB 3.38Å; Y52-E82 VanDerWaalsContact O-CA 3.28Å; Y52-E82 WeakPolarHBondContact O-CA 3.4Å; Y52-E82 WeakPolarHBondContact O-CB 3.29Å; Y52-G83 VanDerWaalsContact CE1-CA 3.42Å; Y52-G83 PolarHBondContact N-O 3.5Å; Y52-G83 PolarHBondContact O-N 2.94Å; Y52-G83 VanDerWaalsContact O-N 3.07Å; Y52-Y85 HydrophobicContact CE1-CE2 4.23Å; Y52-F99 HydrophobicContact CD2-CE1 4.32Å; Y52-F99 HydrophobicContact CG-CE1 4.08Å; Y52-V111 HydrophobicContact CD2-CG1 4.48Å; Y52-F112 CarbonylContact C-O 3.54Å; Y52-F112 VanDerWaalsContact CA-O 3.27Å; Y52-F112 WeakPolarHBondContact CA-O 3.42Å
53	Q	94.1	Very high	92.1	Very high	29 Å²	29	38.1 Å²	38.1	14%	0.136	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	129.8	173.6	-174.3	171.6	-4.7	0	0	111	L55 S81 E82 F112 V151 F155	Q53-L55 HydrophobicContact CG-CD2 4.32Å; Q53-L55 PolarHBondContact O-N 3.06Å; Q53-S81 CarbonylContact C-O 3.52Å; Q53-S81 WeakPolarHBondContact CA-O 3.24Å; Q53-E82 HydrophobicContact CB-CB 4.31Å; Q53-E82 HydrophobicContact CG-CB 4.23Å; Q53-F112 PolarHBondContact N-O 2.75Å; Q53-F112 PolarHBondContact O-N 2.61Å; Q53-V151 HydrophobicContact CB-CG1 4.21Å; Q53-F155 HydrophobicContact CB-CE2 4.26Å; Q53-F155 HydrophobicContact CB-CZ 4.42Å
54	V	92.8	Very high	92.9	Very high	7 Å²	7	32.2 Å²	32.2	4%	0.042	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	117.7	170.8	-171.4	0	0	0	0	108.3	L60 I62 S81 K109 V111	V54-L60 HydrophobicContact CG1-CB 4.4Å; V54-L60 HydrophobicContact CG1-CD2 4.45Å; V54-I62 HydrophobicContact CG2-CB 3.87Å; V54-I62 HydrophobicContact CG2-CG2 3.56Å; V54-S81 PolarHBondContact N-O 2.86Å; V54-K109 HydrophobicContact CG1-CB 4.49Å; V54-K109 HydrophobicContact CG1-CD 4.19Å; V54-V111 HydrophobicContact CG2-CG2 4.3Å
55	L	90.9	Very high	93.4	Very high	23 Å²	23	32 Å²	32	12%	0.12	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-40.9	-178	-57.2	-175.1	0	0	0	111.9	Q53 T110 F112 V148 V151	Q53-L55 HydrophobicContact CG-CD2 4.32Å; Q53-L55 PolarHBondContact O-N 3.06Å; L55-T110 HydrophobicContact CB-CG2 4.42Å; L55-T110 HydrophobicContact CD1-CG2 4.45Å; L55-T110 PolarHBondContact N-O 2.75Å; L55-F112 HydrophobicContact CD1-CB 3.96Å; L55-F112 HydrophobicContact CD2-CB 4.13Å; L55-F112 HydrophobicContact CG-CB 4.03Å; L55-V148 HydrophobicContact CD1-CG2 4.39Å; L55-V151 HydrophobicContact CD2-CG2 3.79Å
56	Y	91.9	Very high	93.8	Very high	104 Å²	104	30.4 Å²	30.4	41%	0.408	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	155	-174.2	-61.8	-77.9	0	0	0	112.6	K109 T110	Y56-K109 WeakPolarHBondContact O-CA 2.98Å; Y56-T110 HydrophobicContact CD2-CG2 4.44Å; Y56-T110 PolarHBondContact N-O 2.76Å; Y56-T110 PolarHBondContact O-N 3.46Å
57	G	90.9	Very high	94	Very high	25 Å²	25	28.9 Å²	28.9	26%	0.258	16%	0.163	S	C	.	.	S	Bend	trans	104.7	136.7	170.1	0	0	0	0	0	114.5	L60 A108 K109	G57-L60 WeakPolarHBondContact O-CA 3.4Å; G57-L60 PolarHBondContact O-N 2.9Å; G57-A108 WeakPolarHBondContact CA-O 3.33Å; G57-K109 WeakPolarHBondContact O-CD 3.28Å; G57-K109 WeakPolarHBondContact O-CE 3.46Å
58	G	91.5	Very high	94.3	Very high	44 Å²	44	28.8 Å²	28.8	45%	0.454	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	-137.3	175.4	0	0	0	0	0	114.1	L60	G58-L60 PolarHBondContact O-N 3.05Å
59	D	95.5	Very high	94.5	Very high	131 Å²	131	31 Å²	31	70%	0.701	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	14.2	177.2	-58	-38.7	0	0	0	113.1	D61 R79	D59-D61 VanDerWaalsContact C-N 3.32Å; D59-D61 PolarHBondContact O-N 2.92Å; D59-R79 IonicContact OD2-NH2 3.78Å
60	L	95.3	Very high	94.8	Very high	76 Å²	76	37 Å²	37	40%	0.398	20%	0.201	S	C	.	.	S	Bend	trans	57.2	41.8	-175.6	-56.3	174.5	0	0	0	113.2	V54 G57 G58 S81	V54-L60 HydrophobicContact CG1-CB 4.4Å; V54-L60 HydrophobicContact CG1-CD2 4.45Å; G57-L60 WeakPolarHBondContact O-CA 3.4Å; G57-L60 PolarHBondContact O-N 2.9Å; G58-L60 PolarHBondContact O-N 3.05Å; L60-S81 WeakPolarHBondContact O-CA 3.41Å; L60-S81 WeakPolarHBondContact O-CB 3.42Å
61	D	97.8	Very high	95	Very high	13 Å²	13	40.1 Å²	40.1	7%	0.07	23%	0.227	C	C	.	.			trans	-123.1	152.2	-177.6	57.3	0.6	0	0	0	113.3	D59 R79 K80 F103 K109	D59-D61 VanDerWaalsContact C-N 3.32Å; D59-D61 PolarHBondContact O-N 2.92Å; D61-R79 HydrophobicContact CB-CB 4.36Å; D61-R79 IonicContact OD2-CZ 3.12Å; D61-R79 IonicContact OD2-NE 2.67Å; D61-R79 PolarHBondContact OD2-NE 3.34Å; D61-R79 IonicContact OD2-NH2 2.76Å; D61-R79 PolarHBondContact OD2-NH2 3.21Å; D61-K80 CarbonylContact C-O 3.59Å; D61-K80 WeakPolarHBondContact CA-O 3.02Å; D61-F103 WeakPolarHBondContact OD1-CE2 3.14Å; D61-K109 WeakPolarHBondContact O-CE 3.26Å; D61-K109 VanDerWaalsContact OD1-CE 3.24Å; D61-K109 WeakPolarHBondContact OD1-CE 3.43Å; D61-K109 IonicContact OD1-NZ 3.62Å
62	I	98.1	Very high	95.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	150.3	173.8	-162	69.6	0	0	0	109.7	Y52 V54 V64 R79 K80 F99 D100 N101 K109 V111	Y52-I62 HydrophobicContact CD2-CG2 4.1Å; Y52-I62 HydrophobicContact CE2-CG2 3.74Å; V54-I62 HydrophobicContact CG2-CB 3.87Å; V54-I62 HydrophobicContact CG2-CG2 3.56Å; I62-V64 HydrophobicContact CG2-CG2 3.78Å; I62-R79 PolarHBondContact O-N 2.76Å; I62-K80 PolarHBondContact N-O 2.84Å; I62-K80 PolarHBondContact O-N 2.83Å; I62-F99 HydrophobicContact CG1-CB 4.14Å; I62-F99 HydrophobicContact CG1-CD1 4.21Å; I62-F99 HydrophobicContact CG2-CD1 4.39Å; I62-D100 VanDerWaalsContact CD1-O 3.3Å; I62-D100 WeakPolarHBondContact CD1-O 3.26Å; I62-N101 HydrophobicContact CD1-CB 3.68Å; I62-K109 HydrophobicContact CD1-CB 4.22Å; I62-K109 HydrophobicContact CD1-CG 4.16Å; I62-V111 HydrophobicContact CG1-CG2 4.45Å
63	N	98.5	Very high	95.7	Very high	29 Å²	29	48.3 Å²	48.3	16%	0.155	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	138.8	164.8	-67.8	-16	0	0	0	108.2	D77 T78 R79 D100 F103	N63-D77 WeakPolarHBondContact CA-O 3.1Å; N63-T78 WeakPolarHBondContact OD1-CA 3.41Å; N63-R79 PolarHBondContact OD1-N 2.78Å; N63-D100 HydrophobicContact CB-CB 3.75Å; N63-D100 WeakPolarHBondContact CB-O 3.36Å; N63-D100 PolarHBondContact N-O 2.87Å; N63-D100 VanDerWaalsContact N-O 3.13Å; N63-D100 PolarHBondContact ND2-OD2 3.03Å; N63-D100 PolarHBondContact O-N 2.68Å; N63-F103 HydrophobicContact CB-CE1 4.47Å
64	V	98.3	Very high	95.8	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.018	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	139	178	-176.2	0	0	0	0	109.7	F50 Y52 I62 V66 Q76 D77 C98 F99	F50-V64 HydrophobicContact CE1-CG1 3.65Å; F50-V64 HydrophobicContact CZ-CG1 3.87Å; Y52-V64 HydrophobicContact CD1-CG2 4.13Å; Y52-V64 HydrophobicContact CD2-CG2 4.12Å; Y52-V64 HydrophobicContact CE1-CB 4.22Å; Y52-V64 HydrophobicContact CE1-CG1 4.36Å; Y52-V64 HydrophobicContact CE1-CG2 3.71Å; Y52-V64 HydrophobicContact CE2-CG2 3.72Å; Y52-V64 HydrophobicContact CG-CG2 4.32Å; I62-V64 HydrophobicContact CG2-CG2 3.78Å; V64-V66 HydrophobicContact CG1-CG2 4.39Å; V64-Q76 CarbonylContact O-C 3.59Å; V64-Q76 VanDerWaalsContact O-CA 3.3Å; V64-Q76 WeakPolarHBondContact O-CA 3.29Å; V64-D77 HydrophobicContact CB-CB 4.26Å; V64-D77 PolarHBondContact N-O 3.04Å; V64-D77 PolarHBondContact O-N 3Å; V64-C98 WeakPolarHBondContact CA-O 3.39Å; V64-F99 HydrophobicContact CG1-CE1 4.47Å; V64-F99 HydrophobicContact CG2-CD1 3.85Å; V64-F99 HydrophobicContact CG2-CE1 3.94Å
65	L	98.1	Very high	96.1	Very high	50 Å²	50	49.5 Å²	49.5	26%	0.262	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	127.8	174.1	-177.8	69.9	0	0	0	108.7	L67 V73 Q76 C98	L65-L67 HydrophobicContact CD1-CD2 4.14Å; L65-L67 HydrophobicContact CD2-CD1 4.48Å; L65-L67 HydrophobicContact CD2-CD2 4.03Å; L65-L67 HydrophobicContact CD2-CG 4.3Å; L65-L67 HydrophobicContact CG-CD2 3.93Å; L65-L67 HydrophobicContact CG-CG 4.27Å; L65-V73 HydrophobicContact CD1-CB 4.48Å; L65-V73 HydrophobicContact CD1-CG1 3.72Å; L65-V73 HydrophobicContact CD1-CG2 4Å; L65-Q76 HydrophobicContact CD1-CB 4.34Å; L65-Q76 HydrophobicContact CD1-CG 4.17Å; L65-C98 HydrophobicContact CB-CB 4.34Å; L65-C98 PolarHBondContact N-O 2.88Å; L65-C98 PolarHBondContact O-N 2.93Å
66	V	96.8	Very high	96.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.1	172	-171.1	0	0	0	0	108.7	M48 F50 V64 V74 A75 I87 Q96 I97	M48-V66 HydrophobicContact CE-CG1 4.31Å; F50-V66 HydrophobicContact CD1-CG2 3.78Å; F50-V66 HydrophobicContact CE1-CG2 3.8Å; V64-V66 HydrophobicContact CG1-CG2 4.39Å; V66-V74 HydrophobicContact CB-CG2 3.95Å; V66-V74 HydrophobicContact CG1-CG2 3.66Å; V66-V74 WeakPolarHBondContact O-CG2 3.35Å; V66-V74 PolarHBondContact O-N 2.8Å; V66-A75 HydrophobicContact CB-CB 3.92Å; V66-A75 HydrophobicContact CG2-CB 3.91Å; V66-A75 PolarHBondContact N-O 3.28Å; V66-A75 PolarHBondContact O-N 3.32Å; V66-I87 HydrophobicContact CB-CD1 4.48Å; V66-I87 HydrophobicContact CG1-CD1 3.95Å; V66-Q96 CarbonylContact C-O 3.56Å; V66-Q96 VanDerWaalsContact CA-O 3.28Å; V66-Q96 WeakPolarHBondContact CA-O 3.49Å; V66-I97 HydrophobicContact CG1-CG1 4.07Å; V66-I97 HydrophobicContact CG2-CG1 4.29Å; V66-I97 HydrophobicContact CG2-CG2 4.4Å
67	L	97.4	Very high	96.7	Very high	23 Å²	23	49.9 Å²	49.9	12%	0.12	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	143.2	177.3	-52.6	178.1	0	0	0	110.2	L65 D72 V73 Y95 Q96	L65-L67 HydrophobicContact CD1-CD2 4.14Å; L65-L67 HydrophobicContact CD2-CD1 4.48Å; L65-L67 HydrophobicContact CD2-CD2 4.03Å; L65-L67 HydrophobicContact CD2-CG 4.3Å; L65-L67 HydrophobicContact CG-CD2 3.93Å; L65-L67 HydrophobicContact CG-CG 4.27Å; L67-D72 VanDerWaalsContact CA-O 3.29Å; L67-D72 WeakPolarHBondContact CA-O 3.21Å; L67-V73 HydrophobicContact CD2-CB 4.36Å; L67-V73 HydrophobicContact CD2-CG2 3.75Å; L67-Y95 WeakPolarHBondContact O-CA 3.41Å; L67-Q96 HydrophobicContact CB-CB 4.25Å; L67-Q96 PolarHBondContact N-O 2.57Å; L67-Q96 PolarHBondContact O-N 2.88Å
68	D	96.7	Very high	97.1	Very high	21 Å²	21	53.3 Å²	53.3	11%	0.112	31%	0.305	C	S	.	.			trans	-78.2	176.6	169.6	86.4	-13.7	0	0	0	111.7	K70 A71 D72 V74 Y95	D68-K70 PolarHBondContact O-N 2.86Å; D68-K70 VanDerWaalsContact OD1-CA 3.28Å; D68-K70 WeakPolarHBondContact OD1-CA 3.28Å; D68-K70 WeakPolarHBondContact OD1-CB 3.3Å; D68-K70 PolarHBondContact OD1-N 3Å; D68-A71 WeakPolarHBondContact O-CA 3.36Å; D68-A71 PolarHBondContact O-N 2.67Å; D68-A71 PolarHBondContact OD1-N 3.47Å; D68-D72 PolarHBondContact N-O 2.83Å; D68-D72 PolarHBondContact OD1-N 2.84Å; D68-V74 HydrophobicContact CB-CG1 3.88Å; D68-Y95 HydrophobicContact CB-CD1 4.19Å; D68-Y95 HydrophobicContact CB-CE1 3.73Å
69	P	96.5	Very high	97.4	Very high	46 Å²	46	56.8 Å²	56.8	30%	0.299	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-12.4	178.3	-26.4	36.9	0	0	0	115.4	M91 Y95	P69-M91 HydrophobicContact CB-SD 4.32Å; P69-M91 HydrophobicContact CG-CG 4.16Å; P69-Y95 HydrophobicContact CG-CD2 3.95Å; P69-Y95 HydrophobicContact CG-CE2 3.74Å
70	K	96.6	Very high	97.5	Very high	140 Å²	140	55.3 Å²	55.3	61%	0.609	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	4.3	174	-70.7	178.1	173.5	177.8	0	112.9	D68 D72 M91	D68-K70 PolarHBondContact O-N 2.86Å; D68-K70 VanDerWaalsContact OD1-CA 3.28Å; D68-K70 WeakPolarHBondContact OD1-CA 3.28Å; D68-K70 WeakPolarHBondContact OD1-CB 3.3Å; D68-K70 PolarHBondContact OD1-N 3Å; K70-D72 VanDerWaalsContact C-N 3.26Å; K70-M91 HydrophobicContact CD-CE 3.74Å; K70-M91 HydrophobicContact CD-SD 3.85Å; K70-M91 HydrophobicContact CG-CE 4.35Å; K70-M91 HydrophobicContact CG-SD 3.78Å
71	A	96.2	Very high	97.5	Very high	66 Å²	66	54.7 Å²	54.7	55%	0.545	29%	0.294	S	S	.	.			trans	67.2	20.2	-174.3	0	0	0	0	0	114.5	D68	D68-A71 WeakPolarHBondContact O-CA 3.36Å; D68-A71 PolarHBondContact O-N 2.67Å; D68-A71 PolarHBondContact OD1-N 3.47Å
72	D	97.6	Very high	97.5	Very high	99 Å²	99	57.2 Å²	57.2	53%	0.529	31%	0.305	S	S	.	.			trans	-78.8	141	171.6	-70.6	-43	0	0	0	110.2	L67 D68 K70 V74	L67-D72 VanDerWaalsContact CA-O 3.29Å; L67-D72 WeakPolarHBondContact CA-O 3.21Å; D68-D72 PolarHBondContact N-O 2.83Å; D68-D72 PolarHBondContact OD1-N 2.84Å; K70-D72 VanDerWaalsContact C-N 3.26Å; D72-V74 PolarHBondContact O-N 3.07Å
73	V	97.8	Very high	97.3	Very high	85 Å²	85	57.9 Å²	57.9	52%	0.515	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	117	-179.7	-177.3	0	0	0	0	110.1	L65 L67 Q76	L65-V73 HydrophobicContact CD1-CB 4.48Å; L65-V73 HydrophobicContact CD1-CG1 3.72Å; L65-V73 HydrophobicContact CD1-CG2 4Å; L67-V73 HydrophobicContact CD2-CB 4.36Å; L67-V73 HydrophobicContact CD2-CG2 3.75Å; V73-Q76 HydrophobicContact CG1-CB 4.07Å
74	V	97.4	Very high	97.1	Very high	57 Å²	57	58.8 Å²	58.8	35%	0.345	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-21.4	178.5	-65.5	0	0	0	0	113.4	V66 D68 D72 I87	V66-V74 HydrophobicContact CB-CG2 3.95Å; V66-V74 HydrophobicContact CG1-CG2 3.66Å; V66-V74 WeakPolarHBondContact O-CG2 3.35Å; V66-V74 PolarHBondContact O-N 2.8Å; D68-V74 HydrophobicContact CB-CG1 3.88Å; D72-V74 PolarHBondContact O-N 3.07Å; V74-I87 HydrophobicContact CB-CG2 4.12Å; V74-I87 HydrophobicContact CG2-CD1 3.92Å; V74-I87 HydrophobicContact CG2-CG1 4.37Å; V74-I87 HydrophobicContact CG2-CG2 4.1Å
75	A	97.5	Very high	96.9	Very high	5 Å²	5	61.1 Å²	61.1	4%	0.041	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	144.8	168.9	0	0	0	0	0	110.7	V66 Y85	V66-A75 HydrophobicContact CB-CB 3.92Å; V66-A75 HydrophobicContact CG2-CB 3.91Å; V66-A75 PolarHBondContact N-O 3.28Å; V66-A75 PolarHBondContact O-N 3.32Å; A75-Y85 HydrophobicContact CB-CD1 3.5Å; A75-Y85 HydrophobicContact CB-CD2 3.98Å; A75-Y85 HydrophobicContact CB-CE1 3.7Å; A75-Y85 HydrophobicContact CB-CE2 4.15Å; A75-Y85 HydrophobicContact CB-CG 3.66Å
76	Q	98.2	Very high	96.7	Very high	125 Å²	125	63.3 Å²	63.3	58%	0.584	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.5	134	177.5	-171.6	175.3	37.2	0	0	111	V64 L65 V73 Y85	V64-Q76 CarbonylContact O-C 3.59Å; V64-Q76 VanDerWaalsContact O-CA 3.3Å; V64-Q76 WeakPolarHBondContact O-CA 3.29Å; L65-Q76 HydrophobicContact CD1-CB 4.34Å; L65-Q76 HydrophobicContact CD1-CG 4.17Å; V73-Q76 HydrophobicContact CG1-CB 4.07Å; Q76-Y85 PolarHBondContact O-OH 3.41Å
77	D	98.5	Very high	96.6	Very high	9 Å²	9	63.8 Å²	63.8	5%	0.048	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	147.5	169.4	-81.1	-44.9	0	0	0	110.9	Y52 N63 V64 K80 Y85	Y52-D77 WeakPolarHBondContact OH-CB 3.47Å; Y52-D77 VanDerWaalsContact OH-CG 3.28Å; Y52-D77 PolarHBondContact OH-OD2 2.88Å; N63-D77 WeakPolarHBondContact CA-O 3.1Å; V64-D77 HydrophobicContact CB-CB 4.26Å; V64-D77 PolarHBondContact N-O 3.04Å; V64-D77 PolarHBondContact O-N 3Å; D77-K80 HydrophobicContact CB-CB 4.24Å; D77-K80 HydrophobicContact CB-CD 4.2Å; D77-K80 HydrophobicContact CB-CG 4.2Å; D77-K80 VanDerWaalsContact OD1-CD 3.26Å; D77-K80 WeakPolarHBondContact OD1-CD 3.4Å; D77-K80 WeakPolarHBondContact OD1-CE 3.28Å; D77-K80 IonicContact OD1-NZ 2.68Å; D77-K80 PolarHBondContact OD1-NZ 2.76Å; D77-Y85 PolarHBondContact OD1-OH 3.3Å; D77-Y85 WeakPolarHBondContact OD2-CE2 3.49Å; D77-Y85 PolarHBondContact OD2-OH 2.91Å
78	T	98.2	Very high	96.5	Very high	98 Å²	98	67.3 Å²	67.3	60%	0.601	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.2	172.9	-59.6	0	0	0	0	108.9	N63 K80	N63-T78 WeakPolarHBondContact OD1-CA 3.41Å; T78-K80 PolarHBondContact O-N 3.37Å
79	R	97.3	Very high	96.3	Very high	116 Å²	116	67.3 Å²	67.3	44%	0.438	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.9	46.5	173.4	-54.8	-73.5	-63.8	-114.5	1.6	113.7	D59 D61 I62 N63 F103	D59-R79 IonicContact OD2-NH2 3.78Å; D61-R79 HydrophobicContact CB-CB 4.36Å; D61-R79 IonicContact OD2-CZ 3.12Å; D61-R79 IonicContact OD2-NE 2.67Å; D61-R79 PolarHBondContact OD2-NE 3.34Å; D61-R79 IonicContact OD2-NH2 2.76Å; D61-R79 PolarHBondContact OD2-NH2 3.21Å; I62-R79 PolarHBondContact O-N 2.76Å; N63-R79 PolarHBondContact OD1-N 2.78Å; R79-F103 VanDerWaalsContact CZ-CD2 3.43Å; R79-F103 VanDerWaalsContact CZ-CE2 3.47Å; R79-F103 VanDerWaalsContact NE-CE2 3.34Å
80	K	98.3	Very high	96	Very high	100 Å²	100	72.7 Å²	72.7	44%	0.435	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	153.1	178.2	-75.3	-156.4	-171.5	156	0	113	Y52 D61 I62 D77 T78	Y52-K80 WeakPolarHBondContact OH-CB 3.38Å; D61-K80 CarbonylContact C-O 3.59Å; D61-K80 WeakPolarHBondContact CA-O 3.02Å; I62-K80 PolarHBondContact N-O 2.84Å; I62-K80 PolarHBondContact O-N 2.83Å; D77-K80 HydrophobicContact CB-CB 4.24Å; D77-K80 HydrophobicContact CB-CD 4.2Å; D77-K80 HydrophobicContact CB-CG 4.2Å; D77-K80 VanDerWaalsContact OD1-CD 3.26Å; D77-K80 WeakPolarHBondContact OD1-CD 3.4Å; D77-K80 WeakPolarHBondContact OD1-CE 3.28Å; D77-K80 IonicContact OD1-NZ 2.68Å; D77-K80 PolarHBondContact OD1-NZ 2.76Å; T78-K80 PolarHBondContact O-N 3.37Å
81	S	96.6	Very high	95.8	Very high	64 Å²	64	68.8 Å²	68.8	45%	0.448	37%	0.365	S	S	.	.	S	Bend	trans	-91.1	-27.2	178.7	58.2	0	0	0	0	114.2	Q53 V54 L60	Q53-S81 CarbonylContact C-O 3.52Å; Q53-S81 WeakPolarHBondContact CA-O 3.24Å; V54-S81 PolarHBondContact N-O 2.86Å; L60-S81 WeakPolarHBondContact O-CA 3.41Å; L60-S81 WeakPolarHBondContact O-CB 3.42Å
82	E	95.9	Very high	95.6	Very high	65 Å²	65	70.3 Å²	70.3	30%	0.304	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	159.5	173.3	65.6	170.8	-130.8	0	0	110.8	Y52 Q53 K158	Y52-E82 VanDerWaalsContact O-CA 3.28Å; Y52-E82 WeakPolarHBondContact O-CA 3.4Å; Y52-E82 WeakPolarHBondContact O-CB 3.29Å; Q53-E82 HydrophobicContact CB-CB 4.31Å; Q53-E82 HydrophobicContact CG-CB 4.23Å; E82-K158 IonicContact OE1-NZ 2.89Å; E82-K158 PolarHBondContact OE1-NZ 3.24Å
83	G	95.1	Very high	95.5	Very high	14 Å²	14	66.7 Å²	66.7	14%	0.144	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	158.6	174.2	0	0	0	0	0	112.2	Y52	Y52-G83 VanDerWaalsContact CE1-CA 3.42Å; Y52-G83 PolarHBondContact N-O 3.5Å; Y52-G83 PolarHBondContact O-N 2.94Å; Y52-G83 VanDerWaalsContact O-N 3.07Å
84	S	93.6	Very high	95.2	Very high	49 Å²	49	66.7 Å²	66.7	34%	0.343	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	120.1	179.8	-175.7	0	0	0	0	109.6	F50 D51	F50-S84 CarbonylContact O-C 3.57Å; F50-S84 WeakPolarHBondContact O-CA 3.1Å; D51-S84 VanDerWaalsContact OD1-CA 3.29Å; D51-S84 WeakPolarHBondContact OD1-CA 3.46Å; D51-S84 WeakPolarHBondContact OD1-CB 3.3Å; D51-S84 PolarHBondContact OD1-OG 3.42Å
85	Y	95.1	Very high	95.1	Very high	51 Å²	51	64.2 Å²	64.2	20%	0.2	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.2	-176.5	-67.9	-82.3	0	0	0	110.4	V49 F50 Y52 A75 Q76 D77	V49-Y85 CarbonylContact C-O 3.56Å; V49-Y85 WeakPolarHBondContact CA-O 3.41Å; F50-Y85 AromaticContact CD1-CD2 3.9Å; F50-Y85 HydrophobicContact CD1-CD2 3.9Å; F50-Y85 HydrophobicContact CE1-CD2 4.28Å; F50-Y85 PolarHBondContact N-O 2.78Å; F50-Y85 PolarHBondContact O-N 3.43Å; Y52-Y85 HydrophobicContact CE1-CE2 4.23Å; A75-Y85 HydrophobicContact CB-CD1 3.5Å; A75-Y85 HydrophobicContact CB-CD2 3.98Å; A75-Y85 HydrophobicContact CB-CE1 3.7Å; A75-Y85 HydrophobicContact CB-CE2 4.15Å; A75-Y85 HydrophobicContact CB-CG 3.66Å; Q76-Y85 PolarHBondContact O-OH 3.41Å; D77-Y85 PolarHBondContact OD1-OH 3.3Å; D77-Y85 WeakPolarHBondContact OD2-CE2 3.49Å; D77-Y85 PolarHBondContact OD2-OH 2.91Å
86	Q	94.1	Very high	94.9	Very high	96 Å²	96	66.7 Å²	66.7	45%	0.449	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	116.8	163.5	-75	173.7	111.5	0	0	106.5	T47 M48 V49	T47-Q86 HydrophobicContact CG2-CB 4.17Å; M48-Q86 WeakPolarHBondContact O-CA 3.19Å; V49-Q86 HydrophobicContact CG2-CG 4.24Å
87	I	94.5	Very high	94.8	Very high	11 Å²	11	60.9 Å²	60.9	6%	0.056	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.7	-176	-63.1	160.9	0	0	0	106.9	T47 M48 V66 V74 L89 Y95	T47-I87 CarbonylContact C-O 3.6Å; T47-I87 WeakPolarHBondContact CA-O 3.46Å; M48-I87 HydrophobicContact CB-CB 4.42Å; M48-I87 HydrophobicContact CE-CD1 4.07Å; M48-I87 PolarHBondContact N-O 2.84Å; M48-I87 PolarHBondContact O-N 3.48Å; V66-I87 HydrophobicContact CB-CD1 4.48Å; V66-I87 HydrophobicContact CG1-CD1 3.95Å; V74-I87 HydrophobicContact CB-CG2 4.12Å; V74-I87 HydrophobicContact CG2-CD1 3.92Å; V74-I87 HydrophobicContact CG2-CG1 4.37Å; V74-I87 HydrophobicContact CG2-CG2 4.1Å; I87-L89 PolarHBondContact O-N 2.86Å; I87-Y95 HydrophobicContact CG2-CE1 4.2Å
88	D	93.9	Very high	94.7	Very high	97 Å²	97	60.7 Å²	60.7	52%	0.519	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	127.7	175.3	-68.2	-30.4	0	0	0	109.8	H90	D88-H90 PolarHBondContact O-N 3.46Å
89	L	93.4	Very high	94.6	Very high	20 Å²	20	56 Å²	56	11%	0.105	28%	0.282	C	S	.	.			trans	-87.9	103	-177.1	-64.2	174.7	0	0	0	109.1	V40 T46 M48 I87 Y95 L117	V40-L89 HydrophobicContact CG1-CD1 4.13Å; V40-L89 HydrophobicContact CG2-CD1 4.17Å; V40-L89 HydrophobicContact CG2-CD2 4.01Å; T46-L89 PolarHBondContact O-N 2.75Å; M48-L89 HydrophobicContact CB-CD1 4.16Å; M48-L89 HydrophobicContact CB-CD2 3.79Å; M48-L89 HydrophobicContact CB-CG 4.09Å; I87-L89 PolarHBondContact O-N 2.86Å; L89-Y95 HydrophobicContact CD2-CD2 4.28Å; L89-Y95 HydrophobicContact CD2-CE1 4.01Å; L89-Y95 HydrophobicContact CD2-CE2 3.54Å; L89-Y95 WeakPolarHBondContact CD2-OH 3.31Å; L89-L117 HydrophobicContact CD1-CD2 4.05Å
90	H	90.1	Very high	94.7	Very high	160 Å²	160	51.9 Å²	51.9	74%	0.741	27%	0.269	S	S	*	.			trans	-95.3	-13.3	180	-59.1	-51.2	0	0	0	113.6	D88	D88-H90 PolarHBondContact O-N 3.46Å
91	M	91.6	Very high	94.6	Very high	57 Å²	57	47.1 Å²	47.1	28%	0.281	25%	0.248	S	C	.	.	S	Bend	trans	-154.7	159.6	179.5	61.2	-172.4	56.4	0	0	112.6	P69 K70	P69-M91 HydrophobicContact CB-SD 4.32Å; P69-M91 HydrophobicContact CG-CG 4.16Å; K70-M91 HydrophobicContact CD-CE 3.74Å; K70-M91 HydrophobicContact CD-SD 3.85Å; K70-M91 HydrophobicContact CG-CE 4.35Å; K70-M91 HydrophobicContact CG-SD 3.78Å
92	K	93.6	Very high	94.7	Very high	98 Å²	98	47.7 Å²	47.7	43%	0.426	25%	0.249	S	C	.	.			trans	-75.3	151.7	168.3	-70.9	172.3	165	172.6	0	111	V40 R41 N43	V40-K92 VanDerWaalsContact O-CA 3.29Å; V40-K92 WeakPolarHBondContact O-CA 3.43Å; V40-K92 WeakPolarHBondContact O-CB 3.28Å; R41-K92 WeakPolarHBondContact O-CE 3.42Å; R41-K92 PolarHBondContact O-NZ 2.76Å; N43-K92 VanDerWaalsContact N-CE 3.26Å; N43-K92 WeakPolarHBondContact OD1-CD 3.47Å; N43-K92 WeakPolarHBondContact OD1-CE 3.19Å; N43-K92 WeakPolarHBondContact OD1-CG 3.27Å; N43-K92 PolarHBondContact OD1-NZ 2.86Å
93	G	94	Very high	94.8	Very high	24 Å²	24	47.4 Å²	47.4	25%	0.247	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.2	-171.5	175.1	0	0	0	0	0	111.5	V40	V40-G93 PolarHBondContact N-O 2.86Å; V40-G93 PolarHBondContact O-N 3.5Å
94	D	92.8	Very high	94.8	Very high	85 Å²	85	47.2 Å²	47.2	46%	0.455	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	116.2	-178.1	-62.5	-27	0	0	0	109.6	F37 E38 S39	F37-D94 HydrophobicContact CD1-CB 4.2Å; E38-D94 WeakPolarHBondContact O-CA 3.15Å; S39-D94 WeakPolarHBondContact CA-OD1 3.28Å; S39-D94 WeakPolarHBondContact CB-OD1 3.3Å; S39-D94 PolarHBondContact OG-OD1 2.83Å
95	Y	94.3	Very high	94.8	Very high	4 Å²	4	54 Å²	54	2%	0.016	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	132.8	169.8	-76.7	-103.5	0	0	0	108.5	F37 E38 V40 M48 L67 D68 P69 I87 L89	F37-Y95 CarbonylContact C-O 3.56Å; F37-Y95 VanDerWaalsContact CA-O 3.29Å; F37-Y95 WeakPolarHBondContact CA-O 3.16Å; E38-Y95 PolarHBondContact N-O 2.95Å; E38-Y95 PolarHBondContact O-N 3.33Å; V40-Y95 HydrophobicContact CB-CD2 4.43Å; V40-Y95 HydrophobicContact CB-CE2 4.3Å; V40-Y95 HydrophobicContact CG2-CD2 3.73Å; V40-Y95 HydrophobicContact CG2-CE2 3.84Å; M48-Y95 HydrophobicContact SD-CD1 4.4Å; M48-Y95 HydrophobicContact SD-CG 4.3Å; L67-Y95 WeakPolarHBondContact O-CA 3.41Å; D68-Y95 HydrophobicContact CB-CD1 4.19Å; D68-Y95 HydrophobicContact CB-CE1 3.73Å; P69-Y95 HydrophobicContact CG-CD2 3.95Å; P69-Y95 HydrophobicContact CG-CE2 3.74Å; I87-Y95 HydrophobicContact CG2-CE1 4.2Å; L89-Y95 HydrophobicContact CD2-CD2 4.28Å; L89-Y95 HydrophobicContact CD2-CE1 4.01Å; L89-Y95 HydrophobicContact CD2-CE2 3.54Å; L89-Y95 WeakPolarHBondContact CD2-OH 3.31Å
96	Q	94.9	Very high	94.6	Very high	57 Å²	57	59 Å²	59	27%	0.266	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	121.1	-176.8	-176.9	178.9	-23	0	0	110.1	C35 F37 V66 L67 C98	C35-Q96 HydrophobicContact CB-CG 4.04Å; C35-Q96 PolarHBondContact SG-NE2 2.92Å; C35-Q96 VanDerWaalsContact SG-NE2 3.37Å; F37-Q96 HydrophobicContact CD1-CB 3.89Å; F37-Q96 HydrophobicContact CD1-CG 4.11Å; F37-Q96 HydrophobicContact CE1-CB 3.64Å; F37-Q96 HydrophobicContact CE1-CG 3.55Å; F37-Q96 HydrophobicContact CZ-CB 4.43Å; F37-Q96 HydrophobicContact CZ-CG 3.83Å; V66-Q96 CarbonylContact C-O 3.56Å; V66-Q96 VanDerWaalsContact CA-O 3.28Å; V66-Q96 WeakPolarHBondContact CA-O 3.49Å; L67-Q96 HydrophobicContact CB-CB 4.25Å; L67-Q96 PolarHBondContact N-O 2.57Å; L67-Q96 PolarHBondContact O-N 2.88Å; Q96-C98 PolarHBondContact NE2-SG 3.37Å
97	I	95.1	Very high	94.7	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.015	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	116.1	178.4	-58.7	166	0	0	0	108.1	C35 F36 M48 F50 V66 F99 V115	C35-I97 CarbonylContact C-O 3.52Å; C35-I97 VanDerWaalsContact CA-O 3.24Å; C35-I97 WeakPolarHBondContact CA-O 3.49Å; F36-I97 PolarHBondContact N-O 2.86Å; F36-I97 PolarHBondContact O-N 2.85Å; M48-I97 HydrophobicContact CE-CD1 3.75Å; M48-I97 HydrophobicContact CE-CG1 4.17Å; F50-I97 HydrophobicContact CD2-CD1 4.05Å; F50-I97 HydrophobicContact CD2-CG2 4.34Å; F50-I97 HydrophobicContact CE1-CG2 4.35Å; F50-I97 HydrophobicContact CE2-CD1 4.34Å; F50-I97 HydrophobicContact CE2-CG2 3.64Å; F50-I97 HydrophobicContact CZ-CG2 3.65Å; V66-I97 HydrophobicContact CG1-CG1 4.07Å; V66-I97 HydrophobicContact CG2-CG1 4.29Å; V66-I97 HydrophobicContact CG2-CG2 4.4Å; I97-F99 HydrophobicContact CG2-CE2 3.94Å; I97-F99 HydrophobicContact CG2-CZ 4.14Å; I97-V115 HydrophobicContact CD1-CG2 3.42Å; I97-V115 VanDerWaalsContact CD1-CG2 3.42Å
98	C	96.6	Very high	94.7	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.034	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133.7	-179.2	-61.4	0	0	0	0	111.7	Q34 C35 V64 L65 Q96	Q34-C98 CarbonylContact O-C 3.54Å; Q34-C98 WeakPolarHBondContact O-CA 3.25Å; C35-C98 HydrophobicContact CB-CB 4.12Å; C35-C98 WeakPolarHBondContact CB-SG 3.35Å; C35-C98 WeakPolarHBondContact SG-CB 3.42Å; C35-C98 CovalentContact SG-SG 2.05Å; C35-C98 PolarHBondContact SG-SG 3.37Å; V64-C98 WeakPolarHBondContact CA-O 3.39Å; L65-C98 HydrophobicContact CB-CB 4.34Å; L65-C98 PolarHBondContact N-O 2.88Å; L65-C98 PolarHBondContact O-N 2.93Å; Q96-C98 PolarHBondContact NE2-SG 3.37Å
99	F	96.8	Very high	94.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122.9	167.9	-63.2	-79.5	0	0	0	109.1	I26 I28 L33 Q34 F36 F50 Y52 I62 V64 I97 V111 F113	I26-F99 HydrophobicContact CD1-CD2 3.61Å; I26-F99 HydrophobicContact CD1-CE2 3.84Å; I26-F99 HydrophobicContact CD1-CG 4.37Å; I28-F99 HydrophobicContact CD1-CB 4.06Å; I28-F99 HydrophobicContact CG1-CB 3.89Å; L33-F99 WeakPolarHBondContact CA-O 3.47Å; Q34-F99 PolarHBondContact N-O 2.65Å; Q34-F99 PolarHBondContact O-N 3.13Å; F36-F99 HydrophobicContact CD2-CD2 4.18Å; F36-F99 HydrophobicContact CD2-CE2 4.36Å; F36-F99 HydrophobicContact CE2-CD2 4.13Å; F50-F99 AromaticContact CE2-CZ 3.96Å; F50-F99 HydrophobicContact CE2-CZ 3.96Å; F50-F99 HydrophobicContact CZ-CE1 4.11Å; F50-F99 AromaticContact CZ-CZ 3.79Å; F50-F99 HydrophobicContact CZ-CZ 3.79Å; Y52-F99 HydrophobicContact CD2-CE1 4.32Å; Y52-F99 HydrophobicContact CG-CE1 4.08Å; I62-F99 HydrophobicContact CG1-CB 4.14Å; I62-F99 HydrophobicContact CG1-CD1 4.21Å; I62-F99 HydrophobicContact CG2-CD1 4.39Å; V64-F99 HydrophobicContact CG1-CE1 4.47Å; V64-F99 HydrophobicContact CG2-CD1 3.85Å; V64-F99 HydrophobicContact CG2-CE1 3.94Å; I97-F99 HydrophobicContact CG2-CE2 3.94Å; I97-F99 HydrophobicContact CG2-CZ 4.14Å; F99-V111 HydrophobicContact CD1-CG1 4.06Å; F99-V111 HydrophobicContact CE1-CG1 3.74Å; F99-V111 HydrophobicContact CZ-CG1 4.21Å; F99-F113 HydrophobicContact CE2-CB 4.28Å; F99-F113 AromaticContact CE2-CD1 3.91Å; F99-F113 HydrophobicContact CE2-CD1 3.91Å; F99-F113 HydrophobicContact CE2-CD2 4.44Å; F99-F113 HydrophobicContact CE2-CE1 4.38Å; F99-F113 AromaticContact CE2-CG 3.95Å; F99-F113 HydrophobicContact CE2-CG 3.95Å; F99-F113 HydrophobicContact CZ-CB 3.68Å; F99-F113 HydrophobicContact CZ-CD1 4.15Å; F99-F113 HydrophobicContact CZ-CD2 4.49Å; F99-F113 AromaticContact CZ-CG 3.86Å; F99-F113 HydrophobicContact CZ-CG 3.86Å
100	D	97.9	Very high	94.8	Very high	30 Å²	30	54.4 Å²	54.4	16%	0.16	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	113.1	-175.5	168.4	32.2	0	0	0	110.8	L33 I62 N63 T102 F103	L33-D100 HydrophobicContact CB-CB 4.42Å; L33-D100 HydrophobicContact CD1-CB 3.85Å; L33-D100 HydrophobicContact CG-CB 4.27Å; I62-D100 VanDerWaalsContact CD1-O 3.3Å; I62-D100 WeakPolarHBondContact CD1-O 3.26Å; N63-D100 HydrophobicContact CB-CB 3.75Å; N63-D100 WeakPolarHBondContact CB-O 3.36Å; N63-D100 PolarHBondContact N-O 2.87Å; N63-D100 VanDerWaalsContact N-O 3.13Å; N63-D100 PolarHBondContact ND2-OD2 3.03Å; N63-D100 PolarHBondContact O-N 2.68Å; D100-T102 WeakPolarHBondContact OD1-CB 3.37Å; D100-T102 WeakPolarHBondContact OD1-CG2 3.26Å; D100-T102 PolarHBondContact OD1-N 2.98Å; D100-T102 PolarHBondContact OD1-OG1 2.8Å; D100-T102 PolarHBondContact OD2-OG1 3.04Å; D100-F103 VanDerWaalsContact O-CE1 3.24Å; D100-F103 WeakPolarHBondContact O-CE1 3.28Å
101	N	97.4	Very high	94.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.24	C	C	.	.			trans	-114.1	24	173.4	-167.4	32.5	0	0	0	111.1	I28 P29 S31 R32 I62 F103 S104 T107 K109	I28-N101 HydrophobicContact CB-CB 4.25Å; I28-N101 HydrophobicContact CG2-CB 3.56Å; I28-N101 PolarHBondContact O-ND2 2.9Å; P29-N101 PolarHBondContact O-ND2 3.22Å; S31-N101 PolarHBondContact N-O 3.43Å; S31-N101 VanDerWaalsContact N-O 3.1Å; R32-N101 CarbonylContact O-C 3.58Å; R32-N101 WeakPolarHBondContact O-CA 3.12Å; R32-N101 PolarHBondContact O-N 3.01Å; I62-N101 HydrophobicContact CD1-CB 3.68Å; N101-F103 PolarHBondContact O-N 2.89Å; N101-S104 PolarHBondContact O-N 3.31Å; N101-S104 VanDerWaalsContact O-N 3.14Å; N101-S104 WeakPolarHBondContact OD1-CB 3.37Å; N101-S104 PolarHBondContact OD1-OG 3.32Å; N101-T107 PolarHBondContact ND2-O 3.12Å; N101-K109 WeakPolarHBondContact OD1-CG 3.29Å; N101-K109 PolarHBondContact OD1-NZ 3.05Å
102	T	97.7	Very high	94.7	Very high	75 Å²	75	44.2 Å²	44.2	46%	0.46	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.6	-179.7	56.3	0	0	0	0	112.8	R32 L33 D100 S104	R32-T102 PolarHBondContact O-N 2.89Å; L33-T102 HydrophobicContact CB-CG2 4.12Å; D100-T102 WeakPolarHBondContact OD1-CB 3.37Å; D100-T102 WeakPolarHBondContact OD1-CG2 3.26Å; D100-T102 PolarHBondContact OD1-N 2.98Å; D100-T102 PolarHBondContact OD1-OG1 2.8Å; D100-T102 PolarHBondContact OD2-OG1 3.04Å; T102-S104 VanDerWaalsContact C-N 3.3Å; T102-S104 PolarHBondContact O-N 2.59Å
103	F	97.3	Very high	94.5	Very high	59 Å²	59	40.4 Å²	40.4	26%	0.259	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-15.8	178.1	64.7	-96.5	0	0	0	114.1	D61 N63 R79 D100 N101	D61-F103 WeakPolarHBondContact OD1-CE2 3.14Å; N63-F103 HydrophobicContact CB-CE1 4.47Å; R79-F103 VanDerWaalsContact CZ-CD2 3.43Å; R79-F103 VanDerWaalsContact CZ-CE2 3.47Å; R79-F103 VanDerWaalsContact NE-CE2 3.34Å; D100-F103 VanDerWaalsContact O-CE1 3.24Å; D100-F103 WeakPolarHBondContact O-CE1 3.28Å; N101-F103 PolarHBondContact O-N 2.89Å
104	S	96.1	Very high	94	Very high	10 Å²	10	40.7 Å²	40.7	7%	0.07	21%	0.206	C	C	.	.			trans	-89.9	128.3	178.1	-63.5	0	0	0	0	111	S31 N101 T102 T107 K109	S31-S104 PolarHBondContact N-O 2.99Å; S31-S104 PolarHBondContact OG-O 3.37Å; N101-S104 PolarHBondContact O-N 3.31Å; N101-S104 VanDerWaalsContact O-N 3.14Å; N101-S104 WeakPolarHBondContact OD1-CB 3.37Å; N101-S104 PolarHBondContact OD1-OG 3.32Å; T102-S104 VanDerWaalsContact C-N 3.3Å; T102-S104 PolarHBondContact O-N 2.59Å; S104-T107 WeakPolarHBondContact CB-O 3.29Å; S104-K109 PolarHBondContact OG-NZ 2.84Å
105	Y	92.9	Very high	93.7	Very high	193 Å²	193	37.4 Å²	37.4	76%	0.757	19%	0.189	S	C	*	.	S	Bend	trans	-76.9	-43.3	-180	-178.5	-115.1	0	0	0	113.1
106	Q	92.6	Very high	93.3	Very high	156 Å²	156	39.6 Å²	39.6	73%	0.729	20%	0.199	S	C	*	.	S	Bend	trans	-129.3	-21.8	-172.6	-82.1	171	-8.7	0	0	114.6
107	T	95.6	Very high	92.9	Very high	61 Å²	61	37.8 Å²	37.8	37%	0.374	19%	0.191	S	C	.	.			trans	-94.1	120.7	-172.4	55	0	0	0	0	111.6	N101 S104	N101-T107 PolarHBondContact ND2-O 3.12Å; S104-T107 WeakPolarHBondContact CB-O 3.29Å
108	A	95.1	Very high	92.6	Very high	42 Å²	42	39.4 Å²	39.4	35%	0.347	20%	0.2	S	C	.	.			trans	-70.2	155.7	164.4	0	0	0	0	0	110.3	V27 I28 G57	V27-A108 HydrophobicContact CG1-CB 3.95Å; I28-A108 CarbonylContact O-C 3.38Å; I28-A108 VanDerWaalsContact O-CA 3.27Å; I28-A108 WeakPolarHBondContact O-CA 3.32Å; G57-A108 WeakPolarHBondContact CA-O 3.33Å
109	K	94.9	Very high	92.1	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.9	175.5	-64.2	-61.5	-169.4	-55.2	0	109.8	V27 I28 V54 Y56 G57 D61 I62 N101 S104 V111	V27-K109 CarbonylContact C-O 3.6Å; V27-K109 WeakPolarHBondContact CA-O 3.29Å; I28-K109 PolarHBondContact N-O 3.37Å; I28-K109 PolarHBondContact O-N 2.81Å; V54-K109 HydrophobicContact CG1-CB 4.49Å; V54-K109 HydrophobicContact CG1-CD 4.19Å; Y56-K109 WeakPolarHBondContact O-CA 2.98Å; G57-K109 WeakPolarHBondContact O-CD 3.28Å; G57-K109 WeakPolarHBondContact O-CE 3.46Å; D61-K109 WeakPolarHBondContact O-CE 3.26Å; D61-K109 VanDerWaalsContact OD1-CE 3.24Å; D61-K109 WeakPolarHBondContact OD1-CE 3.43Å; D61-K109 IonicContact OD1-NZ 3.62Å; I62-K109 HydrophobicContact CD1-CB 4.22Å; I62-K109 HydrophobicContact CD1-CG 4.16Å; N101-K109 WeakPolarHBondContact OD1-CG 3.29Å; N101-K109 PolarHBondContact OD1-NZ 3.05Å; S104-K109 PolarHBondContact OG-NZ 2.84Å; K109-V111 HydrophobicContact CB-CG2 4.28Å
110	T	92.6	Very high	91.3	Very high	22 Å²	22	45.8 Å²	45.8	14%	0.135	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	119.6	169.5	-56.3	0	0	0	0	108.2	I26 V27 L55 Y56	I26-T110 CarbonylContact O-C 3.5Å; I26-T110 WeakPolarHBondContact O-CA 3.34Å; V27-T110 HydrophobicContact CG2-CG2 4.45Å; L55-T110 HydrophobicContact CB-CG2 4.42Å; L55-T110 HydrophobicContact CD1-CG2 4.45Å; L55-T110 PolarHBondContact N-O 2.75Å; Y56-T110 HydrophobicContact CD2-CG2 4.44Å; Y56-T110 PolarHBondContact N-O 2.76Å; Y56-T110 PolarHBondContact O-N 3.46Å
111	V	91.5	Very high	90.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.7	-176.1	-172.7	0	0	0	0	108.9	S25 I26 I28 Y52 V54 I62 F99 K109	S25-V111 WeakPolarHBondContact CA-O 3.18Å; I26-V111 HydrophobicContact CG1-CB 4.18Å; I26-V111 WeakPolarHBondContact CG1-O 3.24Å; I26-V111 PolarHBondContact N-O 3.48Å; I26-V111 PolarHBondContact O-N 3.43Å; I28-V111 HydrophobicContact CG1-CG2 4.34Å; Y52-V111 HydrophobicContact CD2-CG1 4.48Å; V54-V111 HydrophobicContact CG2-CG2 4.3Å; I62-V111 HydrophobicContact CG1-CG2 4.45Å; F99-V111 HydrophobicContact CD1-CG1 4.06Å; F99-V111 HydrophobicContact CE1-CG1 3.74Å; F99-V111 HydrophobicContact CZ-CG1 4.21Å; K109-V111 HydrophobicContact CB-CG2 4.28Å
112	F	88.5	Confident	88.9	Confident	4 Å²	4	52 Å²	52	2%	0.018	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	136.4	163.2	173.3	-94.1	0	0	0	108.3	F24 Y52 Q53 L55 Q114 V148 V151 F155	F24-F112 VanDerWaalsContact O-CD2 3.29Å; F24-F112 WeakPolarHBondContact O-CD2 3.42Å; Y52-F112 CarbonylContact C-O 3.54Å; Y52-F112 VanDerWaalsContact CA-O 3.27Å; Y52-F112 WeakPolarHBondContact CA-O 3.42Å; Q53-F112 PolarHBondContact N-O 2.75Å; Q53-F112 PolarHBondContact O-N 2.61Å; L55-F112 HydrophobicContact CD1-CB 3.96Å; L55-F112 HydrophobicContact CD2-CB 4.13Å; L55-F112 HydrophobicContact CG-CB 4.03Å; F112-Q114 HydrophobicContact CE1-CB 4.35Å; F112-Q114 HydrophobicContact CZ-CB 4.39Å; F112-V148 HydrophobicContact CD2-CG1 4.19Å; F112-V148 HydrophobicContact CE2-CG1 4.21Å; F112-V151 HydrophobicContact CD1-CG1 3.5Å; F112-V151 VanDerWaalsContact CD1-CG1 3.5Å; F112-V151 HydrophobicContact CE1-CG1 3.92Å; F112-V151 HydrophobicContact CG-CG1 4.09Å; F112-F155 HydrophobicContact CD1-CD2 4.17Å; F112-F155 AromaticContact CD1-CE2 3.87Å; F112-F155 HydrophobicContact CD1-CE2 3.87Å; F112-F155 AromaticContact CE1-CD2 3.69Å; F112-F155 HydrophobicContact CE1-CD2 3.69Å; F112-F155 AromaticContact CE1-CE2 3.84Å; F112-F155 HydrophobicContact CE1-CE2 3.84Å
113	F	88.9	Confident	87.5	Confident	18 Å²	18	51.7 Å²	51.7	8%	0.079	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	155.2	171.7	77.4	-82.8	0	0	0	111.4	I26 F36 F50 D51 F99 V115 A131	I26-F113 HydrophobicContact CD1-CD1 3.88Å; I26-F113 HydrophobicContact CD1-CE1 3.74Å; I26-F113 HydrophobicContact CG1-CD1 4.11Å; I26-F113 HydrophobicContact CG1-CE1 4.11Å; I26-F113 HydrophobicContact CG2-CE1 3.86Å; F36-F113 HydrophobicContact CD1-CZ 4.47Å; F36-F113 HydrophobicContact CD2-CZ 4.44Å; F36-F113 HydrophobicContact CG-CZ 4.25Å; F50-F113 HydrophobicContact CE2-CB 4.13Å; F50-F113 HydrophobicContact CE2-CD2 4.3Å; D51-F113 CarbonylContact O-C 3.48Å; D51-F113 WeakPolarHBondContact O-CA 3.09Å; D51-F113 WeakPolarHBondContact O-CB 3.02Å; F99-F113 HydrophobicContact CE2-CB 4.28Å; F99-F113 AromaticContact CE2-CD1 3.91Å; F99-F113 HydrophobicContact CE2-CD1 3.91Å; F99-F113 HydrophobicContact CE2-CD2 4.44Å; F99-F113 HydrophobicContact CE2-CE1 4.38Å; F99-F113 AromaticContact CE2-CG 3.95Å; F99-F113 HydrophobicContact CE2-CG 3.95Å; F99-F113 HydrophobicContact CZ-CB 3.68Å; F99-F113 HydrophobicContact CZ-CD1 4.15Å; F99-F113 HydrophobicContact CZ-CD2 4.49Å; F99-F113 AromaticContact CZ-CG 3.86Å; F99-F113 HydrophobicContact CZ-CG 3.86Å; F113-V115 HydrophobicContact CD2-CG2 4.31Å; F113-V115 HydrophobicContact CE2-CG2 4.4Å; F113-A131 HydrophobicContact CZ-CB 4.38Å
114	Q	83.5	Confident	86	Confident	30 Å²	30	51.1 Å²	51.1	14%	0.14	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	143	177.8	-179.6	174.8	-7.2	0	0	109.3	D51 F112 F127	D51-Q114 PolarHBondContact N-O 2.98Å; D51-Q114 PolarHBondContact O-N 2.59Å; F112-Q114 HydrophobicContact CE1-CB 4.35Å; F112-Q114 HydrophobicContact CZ-CB 4.39Å; Q114-F127 HydrophobicContact CG-CD2 4.24Å; Q114-F127 HydrophobicContact CG-CE2 3.98Å
115	V	86.7	Confident	84.4	Confident	16 Å²	16	54.5 Å²	54.5	10%	0.097	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	133.1	169.7	-172.3	0	0	0	0	107.9	E38 M48 V49 F50 I97 F113	E38-V115 HydrophobicContact CB-CG1 4.4Å; E38-V115 HydrophobicContact CG-CG1 3.91Å; M48-V115 HydrophobicContact CE-CG1 3.9Å; M48-V115 HydrophobicContact CG-CG1 3.73Å; M48-V115 HydrophobicContact SD-CG1 4.01Å; V49-V115 CarbonylContact O-C 3.55Å; V49-V115 WeakPolarHBondContact O-CA 3.47Å; F50-V115 HydrophobicContact CD2-CG2 4.11Å; I97-V115 HydrophobicContact CD1-CG2 3.42Å; I97-V115 VanDerWaalsContact CD1-CG2 3.42Å; F113-V115 HydrophobicContact CD2-CG2 4.31Å; F113-V115 HydrophobicContact CE2-CG2 4.4Å
116	E	85.7	Confident	82.4	Confident	49 Å²	49	53.1 Å²	53.1	23%	0.229	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	127.6	175.9	-176.2	176.2	-167.3	0	0	109	M48 V49 L118 S124	M48-E116 CarbonylContact C-O 3.53Å; M48-E116 WeakPolarHBondContact CA-O 3.08Å; V49-E116 HydrophobicContact CB-CB 4.3Å; V49-E116 PolarHBondContact N-O 2.92Å; V49-E116 PolarHBondContact O-N 3.41Å; E116-L118 HydrophobicContact CG-CD2 3.9Å; E116-S124 WeakPolarHBondContact OE1-CB 3.25Å; E116-S124 PolarHBondContact OE1-OG 3.39Å
117	L	87.5	Confident	80.4	Confident	20 Å²	20	49.1 Å²	49.1	11%	0.105	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	115.5	174.6	-59.3	179.1	0	0	0	108.6	E38 V40 Y45 M48 L89	E38-L117 HydrophobicContact CG-CD1 4.42Å; E38-L117 HydrophobicContact CG-CD2 4.4Å; V40-L117 HydrophobicContact CG2-CD1 4.26Å; V40-L117 HydrophobicContact CG2-CD2 3.95Å; Y45-L117 HydrophobicContact CD1-CB 3.5Å; Y45-L117 HydrophobicContact CD2-CB 4.39Å; Y45-L117 HydrophobicContact CD2-CD1 4.13Å; Y45-L117 HydrophobicContact CE1-CB 3.7Å; Y45-L117 HydrophobicContact CE2-CD1 4.04Å; Y45-L117 HydrophobicContact CG-CB 3.88Å; Y45-L117 HydrophobicContact CG-CD1 4.41Å; M48-L117 HydrophobicContact CB-CD2 3.85Å; M48-L117 HydrophobicContact CG-CD2 3.97Å; L89-L117 HydrophobicContact CD1-CD2 4.05Å
118	L	87.9	Confident	77.9	Confident	37 Å²	37	48.3 Å²	48.3	19%	0.194	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	136.7	179.5	-58.1	178.2	0	0	0	110.3	Y45 T46 T47 V49 E116	Y45-L118 CarbonylContact C-O 3.51Å; Y45-L118 VanDerWaalsContact CA-O 3.31Å; Y45-L118 WeakPolarHBondContact CA-O 3.19Å; T46-L118 PolarHBondContact N-O 2.87Å; T46-L118 PolarHBondContact OG1-O 2.91Å; T47-L118 HydrophobicContact CG2-CD1 4.47Å; T47-L118 PolarHBondContact N-O 3.02Å; T47-L118 PolarHBondContact O-N 2.85Å; V49-L118 HydrophobicContact CG2-CD1 3.54Å; V49-L118 HydrophobicContact CG2-CG 4.03Å; E116-L118 HydrophobicContact CG-CD2 3.9Å
119	R	87.2	Confident	75.4	Confident	52 Å²	52	50.1 Å²	50.1	20%	0.196	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	166.1	173.7	-57.9	171.1	85	94.9	-18.3	110.6	E42 N44 Y45 D121 G122 T123 D125	E42-R119 IonicContact OE2-CZ 3.62Å; E42-R119 IonicContact OE2-NH1 2.93Å; E42-R119 PolarHBondContact OE2-NH1 2.79Å; E42-R119 IonicContact OE2-NH2 3.37Å; E42-R119 PolarHBondContact OE2-NH2 2.82Å; N44-R119 PolarHBondContact ND2-NH1 3.46Å; N44-R119 PolarHBondContact ND2-NH2 3.46Å; N44-R119 VanDerWaalsContact O-CA 3.28Å; N44-R119 WeakPolarHBondContact O-CA 3.45Å; N44-R119 PolarHBondContact OD1-NH1 3.12Å; Y45-R119 HydrophobicContact CD1-CG 3.55Å; Y45-R119 HydrophobicContact CE1-CG 3.8Å; R119-D121 VanDerWaalsContact CB-OD1 3.32Å; R119-D121 WeakPolarHBondContact CB-OD1 3.36Å; R119-D121 PolarHBondContact O-N 3.29Å; R119-D121 VanDerWaalsContact O-N 3.13Å; R119-G122 PolarHBondContact O-N 3.44Å; R119-T123 WeakPolarHBondContact CB-O 3.44Å; R119-T123 WeakPolarHBondContact CG-O 3.06Å; R119-T123 PolarHBondContact N-O 3.16Å; R119-D125 IonicContact NH1-OD2 3.57Å
120	A	78.9	Confident	72.9	Confident	86 Å²	86	52.4 Å²	52.4	71%	0.711	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.2	180	0	0	0	0	0	113.9	N44 T46 G122	N44-A120 PolarHBondContact O-N 3.45Å; T46-A120 HydrophobicContact CG2-CB 3.71Å; A120-G122 VanDerWaalsContact C-N 3.26Å
121	D	78.8	Confident	70.6	Confident	115 Å²	115	52.3 Å²	52.3	62%	0.615	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	3.7	177	63.9	0.8	0	0	0	113.4	R119 T123	R119-D121 VanDerWaalsContact CB-OD1 3.32Å; R119-D121 WeakPolarHBondContact CB-OD1 3.36Å; R119-D121 PolarHBondContact O-N 3.29Å; R119-D121 VanDerWaalsContact O-N 3.13Å; D121-T123 VanDerWaalsContact CG-OG1 3.29Å; D121-T123 PolarHBondContact O-N 3.15Å; D121-T123 WeakPolarHBondContact OD1-CB 3.25Å; D121-T123 PolarHBondContact OD1-N 3.2Å; D121-T123 PolarHBondContact OD1-OG1 3.07Å; D121-T123 PolarHBondContact OD2-OG1 2.98Å
122	G	66.6	Low	68.3	Low	46 Å²	46	56.4 Å²	56.4	47%	0.474	34%	0.34	S	S	.	.	S	Bend	trans	77.5	4.7	-178.5	0	0	0	0	0	114.2	R119 A120	R119-G122 PolarHBondContact O-N 3.44Å; A120-G122 VanDerWaalsContact C-N 3.26Å
123	T	68	Low	66.1	Low	68 Å²	68	63.5 Å²	63.5	42%	0.417	38%	0.378	S	S	.	.			trans	-81.5	139.7	173.1	65	0	0	0	0	110.4	R119 D121	R119-T123 WeakPolarHBondContact CB-O 3.44Å; R119-T123 WeakPolarHBondContact CG-O 3.06Å; R119-T123 PolarHBondContact N-O 3.16Å; D121-T123 VanDerWaalsContact CG-OG1 3.29Å; D121-T123 PolarHBondContact O-N 3.15Å; D121-T123 WeakPolarHBondContact OD1-CB 3.25Å; D121-T123 PolarHBondContact OD1-N 3.2Å; D121-T123 PolarHBondContact OD1-OG1 3.07Å; D121-T123 PolarHBondContact OD2-OG1 2.98Å
124	S	67	Low	64	Low	47 Å²	47	63.9 Å²	63.9	33%	0.329	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-108.3	146.4	166	36	0	0	0	0	109.2	E116	E116-S124 WeakPolarHBondContact OE1-CB 3.25Å; E116-S124 PolarHBondContact OE1-OG 3.39Å
125	D	61	Low	62	Low	82 Å²	82	68.5 Å²	68.5	44%	0.439	41%	0.413	S	S	.	.			trans	-76.8	131.7	165	-62.6	-50.5	0	0	0	108	Y45 R119 F127	Y45-D125 VanDerWaalsContact CE1-OD2 3.26Å; Y45-D125 WeakPolarHBondContact CE1-OD2 3.4Å; Y45-D125 PolarHBondContact OH-OD2 3.28Å; R119-D125 IonicContact NH1-OD2 3.57Å; D125-F127 PolarHBondContact O-N 2.97Å
126	D	52.2	Low	60.4	Low	163 Å²	163	71.6 Å²	71.6	87%	0.872	43%	0.433	S	S	*	.	S	Bend	trans	-52.4	129	-175.1	-147.6	7.2	0	0	0	109.8	G128	D126-G128 PolarHBondContact O-N 3.49Å
127	F	50.3	Low	58.7	Low	73 Å²	73	72.3 Å²	72.3	32%	0.32	45%	0.453	S	S	.	.			trans	-21.9	97.2	-167.5	-178.1	-110.7	0	0	0	114.1	E22 F24 Q114 D125 T129	E22-F127 WeakPolarHBondContact O-CE1 3.26Å; F24-F127 AromaticContact CD2-CE1 3.81Å; F24-F127 HydrophobicContact CD2-CE1 3.81Å; F24-F127 HydrophobicContact CD2-CZ 4.21Å; F24-F127 AromaticContact CE2-CE1 3.89Å; F24-F127 HydrophobicContact CE2-CE1 3.89Å; Q114-F127 HydrophobicContact CG-CD2 4.24Å; Q114-F127 HydrophobicContact CG-CE2 3.98Å; D125-F127 PolarHBondContact O-N 2.97Å; F127-T129 PolarHBondContact O-N 3.29Å
128	G	43.2	Very low	57.1	Low	44 Å²	44	73.2 Å²	73.2	45%	0.454	46%	0.457	S	S	.	.			trans	-65.4	124.5	179.3	0	0	0	0	0	110.8	D126 S130	D126-G128 PolarHBondContact O-N 3.49Å; G128-S130 PolarHBondContact O-N 3.01Å
129	T	41.8	Very low	55.6	Low	79 Å²	79	73.1 Å²	73.1	49%	0.485	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-65.4	29.1	-179.4	-36.7	0	0	0	0	113.9	F127 A131 L132	F127-T129 PolarHBondContact O-N 3.29Å; T129-A131 PolarHBondContact O-N 3.02Å; T129-L132 HydrophobicContact CG2-CB 3.96Å; T129-L132 HydrophobicContact CG2-CD1 3.07Å; T129-L132 HydrophobicContact CG2-CG 3.33Å; T129-L132 PolarHBondContact O-N 3.5Å; T129-L132 VanDerWaalsContact O-N 3.12Å
130	S	42.9	Very low	53.9	Low	50 Å²	50	72.8 Å²	72.8	35%	0.35	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-62.7	-28	179.5	-56.9	0	0	0	0	112	E38 G128 L132 N133	E38-S130 PolarHBondContact OE1-OG 3.4Å; E38-S130 VanDerWaalsContact OE2-CB 3.28Å; E38-S130 WeakPolarHBondContact OE2-CB 2.92Å; G128-S130 PolarHBondContact O-N 3.01Å; S130-L132 PolarHBondContact O-N 3.47Å; S130-L132 VanDerWaalsContact O-N 3.16Å; S130-N133 PolarHBondContact O-N 2.93Å
131	A	44.8	Very low	52.6	Low	20 Å²	20	74.9 Å²	74.9	17%	0.165	46%	0.457	C	S	.	.	G	3₁₀ helix	trans	-66.9	-8.6	175	0	0	0	0	0	114.5	F113 T129	F113-A131 HydrophobicContact CZ-CB 4.38Å; T129-A131 PolarHBondContact O-N 3.02Å
132	L	43	Very low	50.9	Low	85 Å²	85	74.4 Å²	74.4	45%	0.445	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-86.4	-5.9	179.1	-70.5	-167.7	0	0	0	115	F24 T129 S130 D134	F24-L132 HydrophobicContact CD1-CD2 4.3Å; F24-L132 HydrophobicContact CE1-CD2 3.71Å; F24-L132 HydrophobicContact CE2-CD2 4.46Å; F24-L132 HydrophobicContact CZ-CD2 3.8Å; F24-L132 HydrophobicContact CZ-CG 4.32Å; T129-L132 HydrophobicContact CG2-CB 3.96Å; T129-L132 HydrophobicContact CG2-CD1 3.07Å; T129-L132 HydrophobicContact CG2-CG 3.33Å; T129-L132 PolarHBondContact O-N 3.5Å; T129-L132 VanDerWaalsContact O-N 3.12Å; S130-L132 PolarHBondContact O-N 3.47Å; S130-L132 VanDerWaalsContact O-N 3.16Å; L132-D134 PolarHBondContact O-N 3.05Å
133	N	41.4	Very low	50.1	Low	153 Å²	153	72.9 Å²	72.9	82%	0.818	44%	0.442	S	S	*	.			trans	-79	56.7	166.1	-81.8	-13.8	0	0	0	110.2	S130 P135	S130-N133 PolarHBondContact O-N 2.93Å; N133-P135 WeakPolarHBondContact O-CD 3.38Å
134	D	45.8	Very low	49.2	Very low	26 Å²	26	75.1 Å²	75.1	14%	0.139	45%	0.451	C	S	.	.			trans	-99.2	95.6	170	-179.2	17.6	0	0	0	109.9	L132 T136 G137 I138 V139	L132-D134 PolarHBondContact O-N 3.05Å; D134-T136 PolarHBondContact O-N 3.42Å; D134-T136 VanDerWaalsContact O-N 3.17Å; D134-T136 WeakPolarHBondContact OD1-CA 3.26Å; D134-T136 WeakPolarHBondContact OD1-CB 3.49Å; D134-T136 PolarHBondContact OD1-N 3.02Å; D134-T136 PolarHBondContact OD1-OG1 3.43Å; D134-T136 PolarHBondContact OD2-OG1 3.14Å; D134-G137 PolarHBondContact OD2-N 3.37Å; D134-I138 WeakPolarHBondContact OD2-CA 2.86Å; D134-I138 PolarHBondContact OD2-N 3.45Å; D134-V139 HydrophobicContact CB-CG2 3.71Å; D134-V139 PolarHBondContact OD2-N 2.8Å
135	P	41.6	Very low	48.6	Very low	128 Å²	128	80.2 Å²	80.2	83%	0.831	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-6.6	174.4	28.9	-33.8	0	0	0	112.9	N133	N133-P135 WeakPolarHBondContact O-CD 3.38Å
136	T	52.1	Low	48.2	Very low	81 Å²	81	78.9 Å²	78.9	50%	0.497	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-12.7	-175.3	69.1	0	0	0	0	114.1	Q34 D134 I138	Q34-T136 PolarHBondContact NE2-OG1 2.86Å; Q34-T136 VanDerWaalsContact NE2-OG1 3.13Å; D134-T136 PolarHBondContact O-N 3.42Å; D134-T136 VanDerWaalsContact O-N 3.17Å; D134-T136 WeakPolarHBondContact OD1-CA 3.26Å; D134-T136 WeakPolarHBondContact OD1-CB 3.49Å; D134-T136 PolarHBondContact OD1-N 3.02Å; D134-T136 PolarHBondContact OD1-OG1 3.43Å; D134-T136 PolarHBondContact OD2-OG1 3.14Å; T136-I138 VanDerWaalsContact C-N 3.29Å; T136-I138 PolarHBondContact O-N 2.84Å; T136-I138 WeakPolarHBondContact OG1-CD1 3.44Å; T136-I138 WeakPolarHBondContact OG1-CG1 2.98Å
137	G	50.1	Low	48.6	Very low	63 Å²	63	74 Å²	74	65%	0.649	44%	0.437	S	S	*	.			trans	68.2	26.1	178	0	0	0	0	0	114	D134	D134-G137 PolarHBondContact OD2-N 3.37Å
138	I	55	Low	49	Very low	40 Å²	40	71 Å²	71	21%	0.205	42%	0.424	C	S	.	.			trans	-93.8	-20	-175	-60.2	-178.5	0	0	0	111.1	V27 D134 T136 T140	V27-I138 HydrophobicContact CB-CG2 4.21Å; V27-I138 WeakPolarHBondContact O-CG2 3.11Å; D134-I138 WeakPolarHBondContact OD2-CA 2.86Å; D134-I138 PolarHBondContact OD2-N 3.45Å; T136-I138 VanDerWaalsContact C-N 3.29Å; T136-I138 PolarHBondContact O-N 2.84Å; T136-I138 WeakPolarHBondContact OG1-CD1 3.44Å; T136-I138 WeakPolarHBondContact OG1-CG1 2.98Å; I138-T140 PolarHBondContact O-N 3.47Å
139	V	55.5	Low	50.1	Low	34 Å²	34	70.9 Å²	70.9	21%	0.206	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	106.4	167.2	-179.6	0	0	0	0	108.6	F24 I26 D134	F24-V139 HydrophobicContact CB-CG1 4.03Å; F24-V139 HydrophobicContact CD1-CG1 3.57Å; F24-V139 HydrophobicContact CE1-CG1 4.43Å; F24-V139 HydrophobicContact CG-CG1 4.11Å; I26-V139 HydrophobicContact CG2-CG2 4Å; D134-V139 HydrophobicContact CB-CG2 3.71Å; D134-V139 PolarHBondContact OD2-N 2.8Å
140	T	51.7	Low	51.2	Low	46 Å²	46	72.6 Å²	72.6	28%	0.282	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.5	178.8	51	0	0	0	0	108.4	S25 I138 V142	S25-T140 PolarHBondContact O-N 3.27Å; S25-T140 VanDerWaalsContact O-O 3.14Å; S25-T140 PolarHBondContact OG-O 2.8Å; I138-T140 PolarHBondContact O-N 3.47Å; T140-V142 PolarHBondContact O-N 2.77Å
141	H	50.7	Low	52.2	Low	129 Å²	129	70.4 Å²	70.4	60%	0.597	40%	0.398	S	S	*	.			trans	-67.9	26.7	169	-93.3	-72.1	0	0	0	112.6	F24 G143	F24-H141 AromaticContact CE1-NE2 3.84Å; H141-G143 PolarHBondContact O-N 2.79Å
142	V	44.3	Very low	53.1	Low	105 Å²	105	71 Å²	71	64%	0.636	40%	0.397	S	S	*	.			trans	-108.1	65.4	-167.6	-169.7	0	0	0	0	109	T140	T140-V142 PolarHBondContact O-N 2.77Å
143	G	48.6	Very low	54.2	Low	15 Å²	15	72.7 Å²	72.7	16%	0.155	40%	0.401	C	S	.	.	S	Bend	trans	-115.5	138.8	149.4	0	0	0	0	0	107.4	H141 F145	H141-G143 PolarHBondContact O-N 2.79Å; G143-F145 PolarHBondContact O-N 2.92Å
144	L	49.8	Very low	55.5	Low	115 Å²	115	72 Å²	72	60%	0.602	39%	0.386	S	S	*	.			trans	-49	116.1	171	-152	92.8	0	0	0	106.4	S146 E147 V148	L144-S146 CarbonylContact O-C 3.5Å; L144-S146 PolarHBondContact O-N 2.73Å; L144-E147 HydrophobicContact CB-CG 4.35Å; L144-E147 PolarHBondContact O-N 3.26Å; L144-V148 PolarHBondContact O-N 2.93Å
145	F	55	Low	56.5	Low	154 Å²	154	71 Å²	71	68%	0.675	38%	0.381	S	S	*	.	H	α-helix	trans	-45.9	-37.8	-170	-174.3	-108.6	0	0	0	111.9	G143 L149	G143-F145 PolarHBondContact O-N 2.92Å; F145-L149 HydrophobicContact CD1-CD1 3.33Å; F145-L149 HydrophobicContact CD2-CD1 3.83Å; F145-L149 HydrophobicContact CE1-CD1 3.1Å; F145-L149 HydrophobicContact CE2-CD1 3.62Å; F145-L149 HydrophobicContact CG-CD1 3.7Å; F145-L149 HydrophobicContact CZ-CD1 3.27Å; F145-L149 VanDerWaalsContact O-CB 3.3Å; F145-L149 WeakPolarHBondContact O-CB 3.31Å; F145-L149 VanDerWaalsContact O-CD1 3.31Å; F145-L149 WeakPolarHBondContact O-CD1 3.21Å; F145-L149 PolarHBondContact O-N 2.61Å
146	S	52.9	Low	57.6	Low	54 Å²	54	69.8 Å²	69.8	38%	0.378	36%	0.363	S	S	.	.	H	α-helix	trans	-54.9	-52.2	170.8	161.1	0	0	0	0	115.2	L144 L149 K150	L144-S146 CarbonylContact O-C 3.5Å; L144-S146 PolarHBondContact O-N 2.73Å; S146-L149 PolarHBondContact O-N 2.94Å; S146-K150 WeakPolarHBondContact O-CB 3.38Å; S146-K150 VanDerWaalsContact O-CG 3.25Å; S146-K150 WeakPolarHBondContact O-CG 3.39Å; S146-K150 PolarHBondContact O-N 3.01Å; S146-K150 WeakPolarHBondContact OG-CE 3.35Å
147	E	59.6	Low	58	Low	61 Å²	61	73.3 Å²	73.3	29%	0.285	37%	0.371	S	S	.	.	H	α-helix	trans	-70.4	-40	-176.9	-64.7	-51.1	132.9	0	0	111.2	L144 L149 K150 V151	L144-E147 HydrophobicContact CB-CG 4.35Å; L144-E147 PolarHBondContact O-N 3.26Å; E147-L149 PolarHBondContact O-N 2.71Å; E147-K150 PolarHBondContact O-N 3.28Å; E147-K150 IonicContact OE1-NZ 3.77Å; E147-K150 PolarHBondContact OE1-NZ 2.92Å; E147-K150 IonicContact OE2-NZ 2.75Å; E147-V151 WeakPolarHBondContact O-CB 3.39Å; E147-V151 VanDerWaalsContact O-CG2 3.28Å; E147-V151 WeakPolarHBondContact O-CG2 3.26Å; E147-V151 PolarHBondContact O-N 3.37Å
148	V	59.8	Low	58.4	Low	9 Å²	9	74 Å²	74	6%	0.055	36%	0.356	C	S	.	.	H	α-helix	trans	-63.3	-44.2	174.7	-174.6	0	0	0	0	110.6	S23 L55 F112 L144 V151 Y152	S23-V148 VanDerWaalsContact CB-CG1 3.48Å; S23-V148 WeakPolarHBondContact OG-CG1 2.99Å; L55-V148 HydrophobicContact CD1-CG2 4.39Å; F112-V148 HydrophobicContact CD2-CG1 4.19Å; F112-V148 HydrophobicContact CE2-CG1 4.21Å; L144-V148 PolarHBondContact O-N 2.93Å; V148-V151 PolarHBondContact O-N 2.49Å; V148-Y152 WeakPolarHBondContact O-CB 3.49Å; V148-Y152 PolarHBondContact O-N 2.81Å
149	L	64.6	Low	58.4	Low	41 Å²	41	73.9 Å²	73.9	22%	0.215	36%	0.361	C	S	.	.	H	α-helix	trans	-63.6	-40.2	173.8	-98.7	125.5	0	0	0	112.8	F145 S146 E147 V151 Y152 F153	F145-L149 HydrophobicContact CD1-CD1 3.33Å; F145-L149 HydrophobicContact CD2-CD1 3.83Å; F145-L149 HydrophobicContact CE1-CD1 3.1Å; F145-L149 HydrophobicContact CE2-CD1 3.62Å; F145-L149 HydrophobicContact CG-CD1 3.7Å; F145-L149 HydrophobicContact CZ-CD1 3.27Å; F145-L149 VanDerWaalsContact O-CB 3.3Å; F145-L149 WeakPolarHBondContact O-CB 3.31Å; F145-L149 VanDerWaalsContact O-CD1 3.31Å; F145-L149 WeakPolarHBondContact O-CD1 3.21Å; F145-L149 PolarHBondContact O-N 2.61Å; S146-L149 PolarHBondContact O-N 2.94Å; E147-L149 PolarHBondContact O-N 2.71Å; L149-V151 VanDerWaalsContact C-N 3.34Å; L149-Y152 PolarHBondContact O-N 3.21Å; L149-F153 HydrophobicContact CB-CD2 4.27Å; L149-F153 HydrophobicContact CB-CE2 4.29Å; L149-F153 HydrophobicContact CD2-CD2 3.94Å; L149-F153 HydrophobicContact CD2-CE2 3.2Å; L149-F153 HydrophobicContact CD2-CZ 3.67Å; L149-F153 HydrophobicContact CG-CE2 4.31Å; L149-F153 VanDerWaalsContact O-CB 3.25Å; L149-F153 WeakPolarHBondContact O-CB 3.5Å; L149-F153 WeakPolarHBondContact O-CD2 3.31Å; L149-F153 WeakPolarHBondContact O-CG 3.11Å; L149-F153 PolarHBondContact O-N 3.36Å
150	K	65.7	Low	58.2	Low	115 Å²	115	78.8 Å²	78.8	50%	0.5	38%	0.38	S	S	.	.	H	α-helix	trans	-62	-44.5	176	-78.4	173.1	-168.1	169.4	0	111	S146 E147 R154	S146-K150 WeakPolarHBondContact O-CB 3.38Å; S146-K150 VanDerWaalsContact O-CG 3.25Å; S146-K150 WeakPolarHBondContact O-CG 3.39Å; S146-K150 PolarHBondContact O-N 3.01Å; S146-K150 WeakPolarHBondContact OG-CE 3.35Å; E147-K150 PolarHBondContact O-N 3.28Å; E147-K150 IonicContact OE1-NZ 3.77Å; E147-K150 PolarHBondContact OE1-NZ 2.92Å; E147-K150 IonicContact OE2-NZ 2.75Å; K150-R154 WeakPolarHBondContact O-CB 3.11Å; K150-R154 PolarHBondContact O-N 3.45Å
151	V	64.7	Low	58.1	Low	5 Å²	5	80.2 Å²	80.2	3%	0.03	39%	0.388	C	S	.	.	H	α-helix	trans	-65.5	-48.6	177.9	169.2	0	0	0	0	110.3	Q53 L55 F112 E147 V148 L149 F153 R154 F155	Q53-V151 HydrophobicContact CB-CG1 4.21Å; L55-V151 HydrophobicContact CD2-CG2 3.79Å; F112-V151 HydrophobicContact CD1-CG1 3.5Å; F112-V151 VanDerWaalsContact CD1-CG1 3.5Å; F112-V151 HydrophobicContact CE1-CG1 3.92Å; F112-V151 HydrophobicContact CG-CG1 4.09Å; E147-V151 WeakPolarHBondContact O-CB 3.39Å; E147-V151 VanDerWaalsContact O-CG2 3.28Å; E147-V151 WeakPolarHBondContact O-CG2 3.26Å; E147-V151 PolarHBondContact O-N 3.37Å; V148-V151 PolarHBondContact O-N 2.49Å; L149-V151 VanDerWaalsContact C-N 3.34Å; V151-F153 PolarHBondContact O-N 3.37Å; V151-R154 CarbonylContact O-C 3.5Å; V151-R154 WeakPolarHBondContact O-CA 3.34Å; V151-R154 WeakPolarHBondContact O-CB 3.48Å; V151-R154 PolarHBondContact O-N 2.82Å; V151-F155 HydrophobicContact CG1-CD2 3.61Å; V151-F155 HydrophobicContact CG1-CE2 3.46Å; V151-F155 VanDerWaalsContact CG1-CE2 3.46Å; V151-F155 VanDerWaalsContact O-CD2 3.26Å; V151-F155 WeakPolarHBondContact O-CD2 3.35Å; V151-F155 PolarHBondContact O-N 3.48Å
152	Y	63.5	Low	58.2	Low	33 Å²	33	78 Å²	78	13%	0.129	38%	0.377	C	S	.	.	H	α-helix	trans	-56.7	-49.6	174.7	177.3	-102.8	0	0	0	112.3	E21 V148 L149 R154 F155 K156	E21-Y152 VanDerWaalsContact CD-CE1 3.49Å; E21-Y152 WeakPolarHBondContact OE1-CE1 3.49Å; E21-Y152 PolarHBondContact OE1-OH 3.23Å; E21-Y152 WeakPolarHBondContact OE2-CE1 3.44Å; V148-Y152 WeakPolarHBondContact O-CB 3.49Å; V148-Y152 PolarHBondContact O-N 2.81Å; L149-Y152 PolarHBondContact O-N 3.21Å; Y152-R154 VanDerWaalsContact C-N 3.27Å; Y152-R154 PolarHBondContact O-N 3.22Å; Y152-F155 CarbonylContact O-C 3.57Å; Y152-F155 PolarHBondContact O-N 2.63Å; Y152-F155 VanDerWaalsContact O-N 3.12Å; Y152-K156 HydrophobicContact CE1-CD 3.74Å; Y152-K156 HydrophobicContact CE1-CG 4.23Å; Y152-K156 PolarHBondContact O-N 2.83Å; Y152-K156 WeakPolarHBondContact OH-CE 3.48Å; Y152-K156 PolarHBondContact OH-NZ 3.29Å
153	F	65.7	Low	58.5	Low	120 Å²	120	78.7 Å²	78.7	53%	0.526	38%	0.376	S	S	.	.	H	α-helix	trans	-63.7	-33.8	175	-77.9	-52.4	0	0	0	112.1	L149 V151 F155 K157	L149-F153 HydrophobicContact CB-CD2 4.27Å; L149-F153 HydrophobicContact CB-CE2 4.29Å; L149-F153 HydrophobicContact CD2-CD2 3.94Å; L149-F153 HydrophobicContact CD2-CE2 3.2Å; L149-F153 HydrophobicContact CD2-CZ 3.67Å; L149-F153 HydrophobicContact CG-CE2 4.31Å; L149-F153 VanDerWaalsContact O-CB 3.25Å; L149-F153 WeakPolarHBondContact O-CB 3.5Å; L149-F153 WeakPolarHBondContact O-CD2 3.31Å; L149-F153 WeakPolarHBondContact O-CG 3.11Å; L149-F153 PolarHBondContact O-N 3.36Å; V151-F153 PolarHBondContact O-N 3.37Å; F153-F155 VanDerWaalsContact C-N 3.34Å; F153-K157 WeakPolarHBondContact O-CB 3.28Å; F153-K157 PolarHBondContact O-N 2.91Å
154	R	69.6	Low	58.7	Low	137 Å²	137	83.9 Å²	83.9	52%	0.517	40%	0.4	S	S	.	.	H	α-helix	trans	-65.4	-39.7	173.9	-167.1	-173.5	-88.1	-176.1	-4.9	110.4	K150 V151 Y152 K158	K150-R154 WeakPolarHBondContact O-CB 3.11Å; K150-R154 PolarHBondContact O-N 3.45Å; V151-R154 CarbonylContact O-C 3.5Å; V151-R154 WeakPolarHBondContact O-CA 3.34Å; V151-R154 WeakPolarHBondContact O-CB 3.48Å; V151-R154 PolarHBondContact O-N 2.82Å; Y152-R154 VanDerWaalsContact C-N 3.27Å; Y152-R154 PolarHBondContact O-N 3.22Å; R154-K158 WeakPolarHBondContact O-CB 3.39Å; R154-K158 WeakPolarHBondContact O-CG 3.45Å; R154-K158 PolarHBondContact O-N 2.9Å
155	F	66.8	Low	58.8	Low	6 Å²	6	83.8 Å²	83.8	3%	0.026	41%	0.405	C	S	.	.	H	α-helix	trans	-68.2	-51.3	172.8	-79.3	-64	0	0	0	112.4	D51 Q53 F112 V151 Y152 F153 K157 K158 A159	D51-F155 HydrophobicContact CB-CD1 3.53Å; D51-F155 HydrophobicContact CB-CE1 3.27Å; D51-F155 HydrophobicContact CB-CG 4.31Å; D51-F155 HydrophobicContact CB-CZ 3.82Å; D51-F155 VanDerWaalsContact OD1-CE1 3.28Å; D51-F155 WeakPolarHBondContact OD1-CE1 3.24Å; Q53-F155 HydrophobicContact CB-CE2 4.26Å; Q53-F155 HydrophobicContact CB-CZ 4.42Å; F112-F155 HydrophobicContact CD1-CD2 4.17Å; F112-F155 AromaticContact CD1-CE2 3.87Å; F112-F155 HydrophobicContact CD1-CE2 3.87Å; F112-F155 AromaticContact CE1-CD2 3.69Å; F112-F155 HydrophobicContact CE1-CD2 3.69Å; F112-F155 AromaticContact CE1-CE2 3.84Å; F112-F155 HydrophobicContact CE1-CE2 3.84Å; V151-F155 HydrophobicContact CG1-CD2 3.61Å; V151-F155 HydrophobicContact CG1-CE2 3.46Å; V151-F155 VanDerWaalsContact CG1-CE2 3.46Å; V151-F155 VanDerWaalsContact O-CD2 3.26Å; V151-F155 WeakPolarHBondContact O-CD2 3.35Å; V151-F155 PolarHBondContact O-N 3.48Å; Y152-F155 CarbonylContact O-C 3.57Å; Y152-F155 PolarHBondContact O-N 2.63Å; Y152-F155 VanDerWaalsContact O-N 3.12Å; F153-F155 VanDerWaalsContact C-N 3.34Å; F155-K157 PolarHBondContact O-N 3.42Å; F155-K158 CarbonylContact O-C 3.59Å; F155-K158 WeakPolarHBondContact O-CA 3.32Å; F155-K158 PolarHBondContact O-N 3.13Å; F155-A159 WeakPolarHBondContact O-CB 3.4Å; F155-A159 PolarHBondContact O-N 3.33Å
156	K	64.1	Low	58.3	Low	103 Å²	103	87.8 Å²	87.8	45%	0.448	42%	0.422	S	S	.	.	H	α-helix	trans	-53.8	-40.4	173.2	-99.1	-163.8	171	170	0	112	E21 Y152 F160	E21-K156 IonicContact OE1-NZ 2.92Å; E21-K156 PolarHBondContact OE1-NZ 3.02Å; Y152-K156 HydrophobicContact CE1-CD 3.74Å; Y152-K156 HydrophobicContact CE1-CG 4.23Å; Y152-K156 PolarHBondContact O-N 2.83Å; Y152-K156 WeakPolarHBondContact OH-CE 3.48Å; Y152-K156 PolarHBondContact OH-NZ 3.29Å; K156-F160 VanDerWaalsContact O-CB 3.31Å; K156-F160 WeakPolarHBondContact O-CB 3.43Å; K156-F160 PolarHBondContact O-N 2.99Å
157	K	60	Low	58.5	Low	154 Å²	154	89.5 Å²	89.5	67%	0.67	42%	0.424	S	S	*	.	H	α-helix	trans	-67.3	-43.6	175.3	-171.1	176.1	-178.2	179.4	0	112.1	F153 F155 T161	F153-K157 WeakPolarHBondContact O-CB 3.28Å; F153-K157 PolarHBondContact O-N 2.91Å; F155-K157 PolarHBondContact O-N 3.42Å; K157-T161 WeakPolarHBondContact O-CB 3.47Å; K157-T161 PolarHBondContact O-N 3.31Å; K157-T161 PolarHBondContact O-OG1 2.68Å
158	K	58	Low	58.5	Low	79 Å²	79	91 Å²	91	34%	0.343	43%	0.431	S	S	.	.	H	α-helix	trans	-60.6	-46.6	174.4	-81.6	-178.9	179.2	177.2	0	110.9	E82 R154 F155 T161 K162	E82-K158 IonicContact OE1-NZ 2.89Å; E82-K158 PolarHBondContact OE1-NZ 3.24Å; R154-K158 WeakPolarHBondContact O-CB 3.39Å; R154-K158 WeakPolarHBondContact O-CG 3.45Å; R154-K158 PolarHBondContact O-N 2.9Å; F155-K158 CarbonylContact O-C 3.59Å; F155-K158 WeakPolarHBondContact O-CA 3.32Å; F155-K158 PolarHBondContact O-N 3.13Å; K158-T161 PolarHBondContact O-N 3.07Å; K158-K162 PolarHBondContact O-N 2.99Å
159	A	56	Low	58.4	Low	37 Å²	37	95.6 Å²	95.6	31%	0.306	45%	0.452	S	S	.	.	H	α-helix	trans	-59.7	-48.7	177.1	0	0	0	0	0	112	F155 T161 K162 L163	F155-A159 WeakPolarHBondContact O-CB 3.4Å; F155-A159 PolarHBondContact O-N 3.33Å; A159-T161 VanDerWaalsContact C-N 3.29Å; A159-T161 PolarHBondContact O-N 3.13Å; A159-K162 WeakPolarHBondContact O-CB 3.45Å; A159-K162 PolarHBondContact O-N 3.01Å; A159-K162 VanDerWaalsContact O-N 3.13Å; A159-L163 PolarHBondContact O-N 3.24Å; A159-L163 VanDerWaalsContact O-N 3.07Å
160	F	51.3	Low	58	Low	137 Å²	137	98.8 Å²	98.8	60%	0.601	47%	0.466	S	S	*	.	H	α-helix	trans	-60.3	-37.9	176.3	-167.5	-99	0	0	0	112.5	K156 L163 L164	K156-F160 VanDerWaalsContact O-CB 3.31Å; K156-F160 WeakPolarHBondContact O-CB 3.43Å; K156-F160 PolarHBondContact O-N 2.99Å; F160-L163 PolarHBondContact O-N 3.48Å; F160-L164 HydrophobicContact CD1-CD1 3.87Å; F160-L164 HydrophobicContact CE1-CD1 3.53Å; F160-L164 HydrophobicContact CE1-CG 4.29Å; F160-L164 HydrophobicContact CZ-CD1 4.29Å; F160-L164 WeakPolarHBondContact O-CG 3.48Å; F160-L164 PolarHBondContact O-N 3.41Å
161	T	49.9	Very low	57.6	Low	75 Å²	75	97.8 Å²	97.8	46%	0.46	46%	0.464	S	S	.	.	H	α-helix	trans	-68.7	-35.1	177.3	-49	0	0	0	0	111.9	K157 K158 A159 L164 T165	K157-T161 WeakPolarHBondContact O-CB 3.47Å; K157-T161 PolarHBondContact O-N 3.31Å; K157-T161 PolarHBondContact O-OG1 2.68Å; K158-T161 PolarHBondContact O-N 3.07Å; A159-T161 VanDerWaalsContact C-N 3.29Å; A159-T161 PolarHBondContact O-N 3.13Å; T161-L164 PolarHBondContact O-N 3.31Å; T161-T165 PolarHBondContact O-N 3.43Å; T161-T165 PolarHBondContact O-OG1 2.97Å
162	K	53.4	Low	57.1	Low	83 Å²	83	103.9 Å²	103.9	36%	0.361	49%	0.493	S	S	.	.	H	α-helix	trans	-66.6	-39.6	174.8	-113.4	178.3	-172	173.3	0	112.4	K158 A159 L164 T165	K158-K162 PolarHBondContact O-N 2.99Å; A159-K162 WeakPolarHBondContact O-CB 3.45Å; A159-K162 PolarHBondContact O-N 3.01Å; A159-K162 VanDerWaalsContact O-N 3.13Å; K162-L164 VanDerWaalsContact C-N 3.29Å; K162-L164 PolarHBondContact O-N 3.43Å; K162-T165 PolarHBondContact O-N 3.12Å; K162-T165 PolarHBondContact O-OG1 3.28Å; K162-T165 VanDerWaalsContact O-OG1 3.12Å
163	L	49.8	Very low	56.6	Low	119 Å²	119	109 Å²	109	62%	0.623	52%	0.519	S	S	*	.	H	α-helix	trans	-64.4	-30.9	176.2	-83.8	157.4	0	0	0	113.1	A159 F160 T165	A159-L163 PolarHBondContact O-N 3.24Å; A159-L163 VanDerWaalsContact O-N 3.07Å; F160-L163 PolarHBondContact O-N 3.48Å; L163-T165 VanDerWaalsContact C-N 3.34Å
164	L	52	Low	55.9	Low	124 Å²	124	108.2 Å²	108.2	65%	0.649	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-6.9	178.5	-68.3	176.2	0	0	0	114.4	F160 T161 K162	F160-L164 HydrophobicContact CD1-CD1 3.87Å; F160-L164 HydrophobicContact CE1-CD1 3.53Å; F160-L164 HydrophobicContact CE1-CG 4.29Å; F160-L164 HydrophobicContact CZ-CD1 4.29Å; F160-L164 WeakPolarHBondContact O-CG 3.48Å; F160-L164 PolarHBondContact O-N 3.41Å; T161-L164 PolarHBondContact O-N 3.31Å; K162-L164 VanDerWaalsContact C-N 3.29Å; K162-L164 PolarHBondContact O-N 3.43Å
165	T	53.2	Low	54.8	Low	114 Å²	114	105.8 Å²	105.8	70%	0.699	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	4.3	-177.5	43.6	0	0	0	0	113.6	T161 K162 L163	T161-T165 PolarHBondContact O-N 3.43Å; T161-T165 PolarHBondContact O-OG1 2.97Å; K162-T165 PolarHBondContact O-N 3.12Å; K162-T165 PolarHBondContact O-OG1 3.28Å; K162-T165 VanDerWaalsContact O-OG1 3.12Å; L163-T165 VanDerWaalsContact C-N 3.34Å
166	K	43.4	Very low	53.7	Low	238 Å²	238	114.8 Å²	114.8	100%	1.035	56%	0.563	S	S	*	*			trans	-107.6	0	163.3	-95.3	-175.6	173.9	178.9	0	109.4

Retrieved 166 of 166 residues in 80.8 ms (Link to these results)

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