A0A077ZP22_TRITR Loading...

DUF295 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZP22, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 178 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.2	Low	83.1	Confident	247 Å²	247	140.4 Å²	140.4	100%	1.217	77%	0.767	S	S	*	*				0	137.4	0	-70.7	-173.8	-176	0	0	108.2
2	A	65.3	Low	83.3	Confident	94 Å²	94	144.8 Å²	144.8	78%	0.777	78%	0.779	S	S	*	*			trans	-71	137.1	175.6	0	0	0	0	0	110.1	R4	A2-R4 PolarHBondContact O-N 3.34Å
3	S	82.6	Confident	83.6	Confident	118 Å²	118	139.5 Å²	139.5	83%	0.825	76%	0.76	S	S	*	*			trans	-56.5	131.3	170.2	167.7	0	0	0	0	109.7
4	R	81.1	Confident	84	Confident	223 Å²	223	137.7 Å²	137.7	84%	0.842	76%	0.762	S	S	*	*			trans	-107.1	129.1	174.6	-74	-174.9	173.5	-174.6	-1.6	109.2	A2	A2-R4 PolarHBondContact O-N 3.34Å
5	V	87.8	Confident	84.2	Confident	152 Å²	152	135.6 Å²	135.6	92%	0.921	75%	0.748	S	S	*	*			trans	-80	128.4	171.1	-179.8	0	0	0	0	108.4
6	G	87.7	Confident	84.4	Confident	28 Å²	28	131.3 Å²	131.3	29%	0.289	73%	0.726	S	S	.	*			trans	-145.2	164	175.7	0	0	0	0	0	111.5	W11	G6-W11 PolarHBondContact O-NE1 2.82Å
7	P	92.1	Very high	84.4	Confident	88 Å²	88	129.6 Å²	129.6	57%	0.571	73%	0.726	S	S	*	*			trans	-60.4	148	177.3	-19.7	32.3	0	0	0	111.7	G9 L10	P7-G9 PolarHBondContact O-N 3.23Å; P7-L10 HydrophobicContact CB-CB 4.49Å; P7-L10 HydrophobicContact CB-CD1 4.01Å; P7-L10 HydrophobicContact CB-CG 4.48Å; P7-L10 HydrophobicContact CG-CD1 4.03Å; P7-L10 PolarHBondContact O-N 2.87Å; P7-L10 VanDerWaalsContact O-N 3.11Å
8	Y	90.8	Very high	84.2	Confident	217 Å²	217	126.6 Å²	126.6	85%	0.851	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	132.8	175.4	-62.7	-66.8	0	0	0	110.9	L10 W11	Y8-L10 VanDerWaalsContact C-N 3.33Å; Y8-L10 PolarHBondContact O-N 3.37Å; Y8-W11 HydrophobicContact CD1-CZ2 4.36Å
9	G	90.6	Very high	84.2	Confident	81 Å²	81	126.4 Å²	126.4	84%	0.835	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	83.8	-4.8	-178.7	0	0	0	0	0	115.7	P7	P7-G9 PolarHBondContact O-N 3.23Å
10	L	89.7	Confident	84	Confident	131 Å²	131	123.3 Å²	123.3	69%	0.686	69%	0.687	S	S	*	*			trans	-112.1	12.5	179.7	-64.7	-179.3	0	0	0	113.8	P7 Y8 E12	P7-L10 HydrophobicContact CB-CB 4.49Å; P7-L10 HydrophobicContact CB-CD1 4.01Å; P7-L10 HydrophobicContact CB-CG 4.48Å; P7-L10 HydrophobicContact CG-CD1 4.03Å; P7-L10 PolarHBondContact O-N 2.87Å; P7-L10 VanDerWaalsContact O-N 3.11Å; Y8-L10 VanDerWaalsContact C-N 3.33Å; Y8-L10 PolarHBondContact O-N 3.37Å; L10-E12 PolarHBondContact O-N 2.86Å
11	W	90.2	Very high	83.6	Confident	165 Å²	165	120.9 Å²	120.9	63%	0.625	68%	0.676	S	S	*	*	S	Bend	trans	-72.6	128.7	172.8	-58	-18.5	0	0	0	109.6	G6 Y8 S13	G6-W11 PolarHBondContact O-NE1 2.82Å; Y8-W11 HydrophobicContact CD1-CZ2 4.36Å; W11-S13 PolarHBondContact O-N 2.69Å
12	E	85.9	Confident	84.7	Confident	194 Å²	194	112 Å²	112	91%	0.907	64%	0.638	S	S	*	*			trans	-60.6	122.3	172.4	-72.6	-178	169.2	0	0	109.4	L10	L10-E12 PolarHBondContact O-N 2.86Å
13	S	87.4	Confident	85.2	Confident	76 Å²	76	112.1 Å²	112.1	53%	0.531	63%	0.625	S	S	.	*			trans	-112.5	130.9	177.2	175.1	0	0	0	0	108.9	W11 I15	W11-S13 PolarHBondContact O-N 2.69Å; S13-I15 PolarHBondContact O-N 3.23Å; S13-I15 WeakPolarHBondContact OG-CB 3.37Å; S13-I15 PolarHBondContact OG-N 2.8Å; S13-I15 PolarHBondContact OG-O 2.84Å
14	S	88	Confident	85.2	Confident	114 Å²	114	108 Å²	108	80%	0.797	60%	0.596	S	S	*	*	S	Bend	trans	-71.2	-13.2	167.9	53.1	0	0	0	0	112.6	T16	S14-T16 PolarHBondContact O-N 2.86Å
15	I	87.7	Confident	85.6	Confident	106 Å²	106	103.2 Å²	103.2	54%	0.544	58%	0.578	S	S	.	*			trans	-85.7	96.8	177.3	-54.5	171.7	0	0	0	107.9	S13 Y19 V20	S13-I15 PolarHBondContact O-N 3.23Å; S13-I15 WeakPolarHBondContact OG-CB 3.37Å; S13-I15 PolarHBondContact OG-N 2.8Å; S13-I15 PolarHBondContact OG-O 2.84Å; I15-Y19 HydrophobicContact CG2-CD1 4.28Å; I15-V20 HydrophobicContact CG2-CG2 3.64Å
16	T	87.1	Confident	85.8	Confident	66 Å²	66	98.3 Å²	98.3	41%	0.405	55%	0.548	S	S	.	.			trans	-85.6	160.8	174	66.7	0	0	0	0	111.1	S14 S18 Y19 V20	S14-T16 PolarHBondContact O-N 2.86Å; T16-S18 PolarHBondContact O-N 3.18Å; T16-S18 PolarHBondContact OG1-OG 2.59Å; T16-Y19 WeakPolarHBondContact O-CB 3.27Å; T16-Y19 PolarHBondContact O-N 2.83Å; T16-Y19 VanDerWaalsContact O-N 3.17Å; T16-Y19 VanDerWaalsContact OG1-CB 3.32Å; T16-Y19 WeakPolarHBondContact OG1-CB 3.42Å; T16-Y19 PolarHBondContact OG1-N 2.86Å; T16-V20 WeakPolarHBondContact O-CG2 3.35Å; T16-V20 PolarHBondContact O-N 3.28Å
17	S	84	Confident	86.1	Confident	103 Å²	103	103.4 Å²	103.4	72%	0.72	56%	0.562	S	S	*	*	H	α-helix	trans	-59.2	-37.5	172	54.5	0	0	0	0	112.3	V20 T21	S17-V20 PolarHBondContact O-N 2.83Å; S17-T21 PolarHBondContact O-N 2.95Å; S17-T21 PolarHBondContact O-OG1 3.37Å
18	S	81.5	Confident	86.1	Confident	76 Å²	76	100.5 Å²	100.5	53%	0.531	54%	0.542	S	S	.	.	H	α-helix	trans	-65.2	-39	174.7	55.9	0	0	0	0	112.8	T16 T21 S22	T16-S18 PolarHBondContact O-N 3.18Å; T16-S18 PolarHBondContact OG1-OG 2.59Å; S18-T21 PolarHBondContact O-N 3.07Å; S18-T21 PolarHBondContact O-OG1 2.79Å; S18-T21 VanDerWaalsContact O-OG1 3.13Å; S18-S22 VanDerWaalsContact O-CB 3.31Å; S18-S22 WeakPolarHBondContact O-CB 3.46Å; S18-S22 PolarHBondContact O-N 3.34Å; S18-S22 PolarHBondContact O-OG 2.6Å
19	Y	84	Confident	86.2	Confident	123 Å²	123	91.3 Å²	91.3	48%	0.482	51%	0.507	S	S	.	.	H	α-helix	trans	-62	-49.4	175.1	-179.8	-105	0	0	0	110	I15 T16 T21 S22 I23	I15-Y19 HydrophobicContact CG2-CD1 4.28Å; T16-Y19 WeakPolarHBondContact O-CB 3.27Å; T16-Y19 PolarHBondContact O-N 2.83Å; T16-Y19 VanDerWaalsContact O-N 3.17Å; T16-Y19 VanDerWaalsContact OG1-CB 3.32Å; T16-Y19 WeakPolarHBondContact OG1-CB 3.42Å; T16-Y19 PolarHBondContact OG1-N 2.86Å; Y19-T21 PolarHBondContact O-N 3.03Å; Y19-S22 PolarHBondContact O-N 2.78Å; Y19-S22 PolarHBondContact O-OG 2.58Å; Y19-I23 HydrophobicContact CD1-CD1 4.11Å; Y19-I23 HydrophobicContact CD2-CG2 4.48Å; Y19-I23 HydrophobicContact CE1-CD1 3.49Å; Y19-I23 VanDerWaalsContact CE1-CD1 3.49Å; Y19-I23 HydrophobicContact CE1-CG1 4.45Å; Y19-I23 HydrophobicContact CE2-CG2 4.09Å; Y19-I23 WeakPolarHBondContact O-CG1 3.4Å; Y19-I23 PolarHBondContact O-N 2.83Å
20	V	79.9	Confident	86.5	Confident	64 Å²	64	93.1 Å²	93.1	39%	0.388	50%	0.497	S	S	.	.	H	α-helix	trans	-54.9	-52.1	177.6	175.8	0	0	0	0	110.8	I15 T16 S17 S22 I23 S24	I15-V20 HydrophobicContact CG2-CG2 3.64Å; T16-V20 WeakPolarHBondContact O-CG2 3.35Å; T16-V20 PolarHBondContact O-N 3.28Å; S17-V20 PolarHBondContact O-N 2.83Å; V20-S22 VanDerWaalsContact C-N 3.31Å; V20-S22 PolarHBondContact O-N 3.15Å; V20-I23 PolarHBondContact O-N 2.87Å; V20-S24 WeakPolarHBondContact O-CB 3.42Å; V20-S24 PolarHBondContact O-N 3.3Å; V20-S24 PolarHBondContact O-OG 3.25Å
21	T	76.7	Confident	86.7	Confident	73 Å²	73	89.9 Å²	89.9	45%	0.448	48%	0.475	S	S	.	.	H	α-helix	trans	-66.3	-31.6	-178.3	55.2	0	0	0	0	113.4	S17 S18 Y19 H50	S17-T21 PolarHBondContact O-N 2.95Å; S17-T21 PolarHBondContact O-OG1 3.37Å; S18-T21 PolarHBondContact O-N 3.07Å; S18-T21 PolarHBondContact O-OG1 2.79Å; S18-T21 VanDerWaalsContact O-OG1 3.13Å; Y19-T21 PolarHBondContact O-N 3.03Å; T21-H50 PolarHBondContact O-N 3.45Å
22	S	77.7	Confident	87	Confident	61 Å²	61	86.3 Å²	86.3	43%	0.427	47%	0.472	S	S	.	.	H	α-helix	trans	-67.7	-37.6	179.1	73	0	0	0	0	113.3	S18 Y19 V20	S18-S22 VanDerWaalsContact O-CB 3.31Å; S18-S22 WeakPolarHBondContact O-CB 3.46Å; S18-S22 PolarHBondContact O-N 3.34Å; S18-S22 PolarHBondContact O-OG 2.6Å; Y19-S22 PolarHBondContact O-N 2.78Å; Y19-S22 PolarHBondContact O-OG 2.58Å; V20-S22 VanDerWaalsContact C-N 3.31Å; V20-S22 PolarHBondContact O-N 3.15Å
23	I	77.4	Confident	87.6	Confident	96 Å²	96	77.4 Å²	77.4	49%	0.492	43%	0.43	S	S	.	.	H	α-helix	trans	-97.9	-14	-177.5	69.7	170.6	0	0	0	113.2	Y19 V20 R25	Y19-I23 HydrophobicContact CD1-CD1 4.11Å; Y19-I23 HydrophobicContact CD2-CG2 4.48Å; Y19-I23 HydrophobicContact CE1-CD1 3.49Å; Y19-I23 VanDerWaalsContact CE1-CD1 3.49Å; Y19-I23 HydrophobicContact CE1-CG1 4.45Å; Y19-I23 HydrophobicContact CE2-CG2 4.09Å; Y19-I23 WeakPolarHBondContact O-CG1 3.4Å; Y19-I23 PolarHBondContact O-N 2.83Å; V20-I23 PolarHBondContact O-N 2.87Å; I23-R25 PolarHBondContact O-N 3.14Å
24	S	81.6	Confident	88	Confident	31 Å²	31	78.6 Å²	78.6	22%	0.217	44%	0.436	C	S	.	.			trans	-70.9	122.9	-171.2	-76.9	0	0	0	0	112.2	V20 L49	V20-S24 WeakPolarHBondContact O-CB 3.42Å; V20-S24 PolarHBondContact O-N 3.3Å; V20-S24 PolarHBondContact O-OG 3.25Å; S24-L49 PolarHBondContact O-N 2.86Å
25	R	88.9	Confident	88.3	Confident	122 Å²	122	74.9 Å²	74.9	46%	0.46	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	133.7	166.8	-59.7	179	-175.1	178.8	-1.9	107.3	I23 E46 R47	I23-R25 PolarHBondContact O-N 3.14Å; R25-E46 IonicContact NH1-OE2 3.79Å; R25-R47 WeakPolarHBondContact CA-O 3.31Å
26	V	92	Very high	88.7	Confident	50 Å²	50	77.3 Å²	77.3	30%	0.303	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	120.4	171.7	-173	0	0	0	0	107.4	L28 E46 R47	V26-L28 HydrophobicContact CG1-CD2 3.96Å; V26-L28 HydrophobicContact CG1-CG 4.03Å; V26-E46 CarbonylContact O-C 3.59Å; V26-E46 WeakPolarHBondContact O-CA 3.33Å; V26-R47 HydrophobicContact CB-CB 4.19Å; V26-R47 PolarHBondContact N-O 2.8Å; V26-R47 PolarHBondContact O-N 2.99Å
27	F	93.9	Very high	89.1	Confident	134 Å²	134	76.9 Å²	76.9	59%	0.588	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	130.8	173.8	-63	-87.2	0	0	0	109.1	W44 E46	F27-W44 AromaticContact CD1-CD1 3.56Å; F27-W44 HydrophobicContact CD1-CG 4.46Å; F27-W44 AromaticContact CD1-NE1 3.64Å; F27-W44 AromaticContact CE1-NE1 3.6Å; F27-E46 HydrophobicContact CD1-CG 4.15Å; F27-E46 HydrophobicContact CE1-CG 4.07Å; F27-E46 WeakPolarHBondContact CE1-OE1 3.06Å
28	L	93.5	Very high	89.6	Confident	27 Å²	27	72.1 Å²	72.1	14%	0.141	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	160.5	-172.9	-63.5	165.1	0	0	0	108.8	V26 L45 R47 R177	V26-L28 HydrophobicContact CG1-CD2 3.96Å; V26-L28 HydrophobicContact CG1-CG 4.03Å; L28-L45 HydrophobicContact CB-CB 4.13Å; L28-L45 HydrophobicContact CB-CD2 4.26Å; L28-L45 HydrophobicContact CB-CG 4.37Å; L28-L45 HydrophobicContact CD1-CD2 4.32Å; L28-L45 PolarHBondContact N-O 2.81Å; L28-L45 WeakPolarHBondContact O-CB 3.21Å; L28-L45 PolarHBondContact O-N 2.75Å; L28-L45 VanDerWaalsContact O-O 3.1Å; L28-R47 HydrophobicContact CD1-CB 3.87Å; L28-R177 HydrophobicContact CD2-CG 4.36Å
29	E	92.9	Very high	90.2	Very high	25 Å²	25	76.5 Å²	76.5	12%	0.117	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	43.3	87.8	167.3	-64.4	-173.1	-127.2	0	0	114.4	W44 L45 G85 G86 S87 F88	E29-W44 WeakPolarHBondContact O-CA 3.27Å; E29-L45 HydrophobicContact CB-CB 4.18Å; E29-L45 PolarHBondContact O-N 2.89Å; E29-G85 WeakPolarHBondContact OE1-CA 3.48Å; E29-G86 PolarHBondContact OE2-N 3.13Å; E29-S87 WeakPolarHBondContact OE1-CB 3.49Å; E29-S87 PolarHBondContact OE1-OG 2.61Å; E29-S87 PolarHBondContact OE2-N 3.31Å; E29-S87 PolarHBondContact OE2-OG 2.93Å; E29-F88 HydrophobicContact CB-CD1 4.32Å; E29-F88 HydrophobicContact CB-CE1 3.64Å; E29-F88 WeakPolarHBondContact O-CE1 3.31Å; E29-F88 VanDerWaalsContact O-CZ 3.31Å; E29-F88 WeakPolarHBondContact O-CZ 3.34Å
30	L	95.4	Very high	90.7	Very high	119 Å²	119	72.7 Å²	72.7	62%	0.623	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	135.7	171.8	-156.7	91.2	0	0	0	110.4	V42 W44	L30-V42 HydrophobicContact CD1-CG1 3.68Å; L30-V42 HydrophobicContact CD2-CG1 4.28Å; L30-V42 HydrophobicContact CG-CG1 3.93Å; L30-W44 HydrophobicContact CD1-CB 4.37Å
31	R	95.9	Very high	91.5	Very high	63 Å²	63	71.1 Å²	71.1	24%	0.238	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	154.9	177.1	-61.9	-67.7	-179.3	-108	9.2	111.6	Y43 F88	R31-Y43 PolarHBondContact N-O 3.46Å; R31-Y43 PolarHBondContact O-N 3.35Å; R31-F88 HydrophobicContact CB-CE2 3.66Å; R31-F88 HydrophobicContact CB-CZ 3.85Å; R31-F88 HydrophobicContact CG-CD2 4.18Å; R31-F88 HydrophobicContact CG-CE1 4.09Å; R31-F88 HydrophobicContact CG-CE2 3.53Å; R31-F88 HydrophobicContact CG-CZ 3.47Å; R31-F88 VanDerWaalsContact CG-CZ 3.47Å; R31-F88 PolarHBondContact NE-O 2.98Å
32	V	96.4	Very high	92.5	Very high	90 Å²	90	69.9 Å²	69.9	55%	0.545	38%	0.377	S	S	.	.			trans	-128.1	149.5	167.6	-66.4	0	0	0	0	108.3
33	D	96.6	Very high	93.5	Very high	7 Å²	7	67.2 Å²	67.2	4%	0.037	36%	0.358	C	S	.	.			trans	-78.4	123.3	169	169.5	0.6	0	0	0	108.5	T35 V90 S92 G93	D33-T35 VanDerWaalsContact CG-OG1 3.28Å; D33-T35 PolarHBondContact O-N 3.07Å; D33-T35 WeakPolarHBondContact OD1-CB 3.23Å; D33-T35 WeakPolarHBondContact OD1-CG2 3.07Å; D33-T35 PolarHBondContact OD1-N 2.79Å; D33-T35 PolarHBondContact OD1-OG1 2.91Å; D33-T35 PolarHBondContact OD2-OG1 2.66Å; D33-V90 HydrophobicContact CB-CB 4Å; D33-V90 HydrophobicContact CB-CG1 3.75Å; D33-S92 VanDerWaalsContact CG-N 3.34Å; D33-S92 PolarHBondContact OD1-N 2.77Å; D33-S92 VanDerWaalsContact OD1-N 3.13Å; D33-S92 WeakPolarHBondContact OD2-CA 3.46Å; D33-S92 PolarHBondContact OD2-N 3.23Å; D33-G93 PolarHBondContact OD2-N 2.83Å
34	P	95.7	Very high	94.4	Very high	101 Å²	101	64.2 Å²	64.2	66%	0.656	34%	0.34	S	S	*	.	S	Bend	trans	-74.3	-1.2	-175.4	32.4	-37.1	0	0	0	113.8	V90	P34-V90 WeakPolarHBondContact CD-O 3.18Å
35	T	96	Very high	95.2	Very high	36 Å²	36	62.8 Å²	62.8	22%	0.221	33%	0.33	C	S	.	.	S	Bend	trans	-99.6	169.1	179.7	73.6	0	0	0	0	112.1	D33 A37 G38 S92	D33-T35 VanDerWaalsContact CG-OG1 3.28Å; D33-T35 PolarHBondContact O-N 3.07Å; D33-T35 WeakPolarHBondContact OD1-CB 3.23Å; D33-T35 WeakPolarHBondContact OD1-CG2 3.07Å; D33-T35 PolarHBondContact OD1-N 2.79Å; D33-T35 PolarHBondContact OD1-OG1 2.91Å; D33-T35 PolarHBondContact OD2-OG1 2.66Å; T35-A37 PolarHBondContact O-N 3.14Å; T35-A37 VanDerWaalsContact O-N 3.11Å; T35-G38 PolarHBondContact O-N 2.94Å; T35-S92 WeakPolarHBondContact OG1-CA 3.27Å; T35-S92 PolarHBondContact OG1-N 3.18Å
36	E	96.4	Very high	95.5	Very high	157 Å²	157	57.4 Å²	57.4	73%	0.734	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-56.7	-28.7	177.6	-68.4	-57.7	126	0	0	113.6	G38 K39	E36-G38 PolarHBondContact O-N 2.79Å; E36-K39 WeakPolarHBondContact O-CB 3.21Å; E36-K39 PolarHBondContact O-N 3.05Å
37	A	95.1	Very high	95.6	Very high	56 Å²	56	59.8 Å²	59.8	46%	0.463	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-63.8	-22.6	176.2	0	0	0	0	0	113.1	T35	T35-A37 PolarHBondContact O-N 3.14Å; T35-A37 VanDerWaalsContact O-N 3.11Å
38	G	93.7	Very high	95.6	Very high	4 Å²	4	53.8 Å²	53.8	4%	0.041	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-86.6	-8.1	179.9	0	0	0	0	0	115.4	T35 E36 G40 I41	T35-G38 PolarHBondContact O-N 2.94Å; E36-G38 PolarHBondContact O-N 2.79Å; G38-G40 PolarHBondContact O-N 2.77Å; G38-G40 VanDerWaalsContact O-N 3.1Å; G38-I41 PolarHBondContact O-N 3.28Å
39	K	94.1	Very high	95.4	Very high	167 Å²	167	55.9 Å²	55.9	73%	0.726	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	118.7	-167.4	-169.1	173.9	-175.2	170.3	0	111.4	E36 I41	E36-K39 WeakPolarHBondContact O-CB 3.21Å; E36-K39 PolarHBondContact O-N 3.05Å; K39-I41 VanDerWaalsContact C-N 3.31Å
40	G	94.7	Very high	95.3	Very high	43 Å²	43	58.7 Å²	58.7	44%	0.443	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	6.4	179.2	0	0	0	0	0	115.1	G38 I61 V62	G38-G40 PolarHBondContact O-N 2.77Å; G38-G40 VanDerWaalsContact O-N 3.1Å; G40-I61 WeakPolarHBondContact O-CA 3.4Å; G40-V62 PolarHBondContact O-N 3.38Å; G40-V62 VanDerWaalsContact O-N 3.15Å
41	I	97.5	Very high	95.1	Very high	31 Å²	31	56 Å²	56	16%	0.159	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130.1	177.6	-42.2	-173.2	0	0	0	109.5	G38 K39 Y43 K60 I61	G38-I41 PolarHBondContact O-N 3.28Å; K39-I41 VanDerWaalsContact C-N 3.31Å; I41-Y43 HydrophobicContact CB-CE2 3.9Å; I41-Y43 HydrophobicContact CG2-CD2 4.11Å; I41-Y43 HydrophobicContact CG2-CE2 3.44Å; I41-Y43 VanDerWaalsContact CG2-CE2 3.44Å; I41-K60 WeakPolarHBondContact CA-O 3.27Å; I41-I61 HydrophobicContact CD1-CG1 4.16Å; I41-I61 HydrophobicContact CG1-CG1 3.74Å
42	V	97.2	Very high	94.9	Very high	48 Å²	48	57 Å²	57	29%	0.291	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	139.4	172.1	-177.4	0	0	0	0	109	L30 S59 K60	L30-V42 HydrophobicContact CD1-CG1 3.68Å; L30-V42 HydrophobicContact CD2-CG1 4.28Å; L30-V42 HydrophobicContact CG-CG1 3.93Å; V42-S59 CarbonylContact O-C 3.6Å; V42-S59 WeakPolarHBondContact O-CA 3.44Å; V42-K60 PolarHBondContact N-O 2.92Å; V42-K60 PolarHBondContact O-N 3.49Å
43	Y	98	Very high	94.7	Very high	5 Å²	5	53.9 Å²	53.9	2%	0.02	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	143.1	176.1	-61.9	-106.2	0	0	0	109.9	R31 I41 V57 C58 S59 W69 V90	R31-Y43 PolarHBondContact N-O 3.46Å; R31-Y43 PolarHBondContact O-N 3.35Å; I41-Y43 HydrophobicContact CB-CE2 3.9Å; I41-Y43 HydrophobicContact CG2-CD2 4.11Å; I41-Y43 HydrophobicContact CG2-CE2 3.44Å; I41-Y43 VanDerWaalsContact CG2-CE2 3.44Å; Y43-V57 HydrophobicContact CD1-CG1 4.43Å; Y43-C58 CarbonylContact C-O 3.48Å; Y43-C58 VanDerWaalsContact CA-O 3.27Å; Y43-C58 WeakPolarHBondContact CA-O 3.32Å; Y43-S59 VanDerWaalsContact CD1-CB 3.41Å; Y43-S59 VanDerWaalsContact CE1-CB 3.46Å; Y43-W69 HydrophobicContact CE1-CD2 4.49Å; Y43-W69 AromaticContact CE1-CE2 3.67Å; Y43-W69 HydrophobicContact CE1-CH2 4.24Å; Y43-W69 AromaticContact CE1-CZ2 3.54Å; Y43-W69 HydrophobicContact CE1-CZ2 3.54Å; Y43-W69 AromaticContact CE1-NE1 3.83Å; Y43-V90 HydrophobicContact CD1-CG2 3.76Å; Y43-V90 HydrophobicContact CD2-CB 4.5Å; Y43-V90 HydrophobicContact CD2-CG1 4.5Å; Y43-V90 HydrophobicContact CD2-CG2 3.94Å; Y43-V90 HydrophobicContact CE1-CG1 4.09Å; Y43-V90 HydrophobicContact CE1-CG2 4.07Å; Y43-V90 HydrophobicContact CE2-CB 4.46Å; Y43-V90 HydrophobicContact CE2-CG1 4Å; Y43-V90 HydrophobicContact CE2-CG2 4.26Å; Y43-V90 HydrophobicContact CG-CG2 3.7Å
44	W	97.5	Very high	94.6	Very high	33 Å²	33	55 Å²	55	13%	0.125	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	158.5	176	66.6	93.5	0	0	0	111.4	F27 E29 L30 E46 V57 C58 K60 T66	F27-W44 AromaticContact CD1-CD1 3.56Å; F27-W44 HydrophobicContact CD1-CG 4.46Å; F27-W44 AromaticContact CD1-NE1 3.64Å; F27-W44 AromaticContact CE1-NE1 3.6Å; E29-W44 WeakPolarHBondContact O-CA 3.27Å; L30-W44 HydrophobicContact CD1-CB 4.37Å; W44-E46 VanDerWaalsContact CD1-CG 3.49Å; W44-E46 VanDerWaalsContact NE1-CG 3.28Å; W44-E46 PolarHBondContact NE1-OE1 2.99Å; W44-V57 WeakPolarHBondContact O-CA 3.48Å; W44-C58 HydrophobicContact CD2-CB 3.96Å; W44-C58 HydrophobicContact CE3-CB 4.47Å; W44-C58 HydrophobicContact CH2-CB 4.02Å; W44-C58 HydrophobicContact CZ2-CB 3.44Å; W44-C58 VanDerWaalsContact CZ2-CB 3.44Å; W44-C58 HydrophobicContact CZ3-CB 4.49Å; W44-C58 PolarHBondContact N-O 2.66Å; W44-C58 PolarHBondContact O-N 3.4Å; W44-K60 HydrophobicContact CH2-CB 3.73Å; W44-K60 HydrophobicContact CZ3-CB 3.68Å; W44-T66 HydrophobicContact CH2-CG2 3.74Å; W44-T66 HydrophobicContact CZ2-CG2 3.67Å
45	L	97.5	Very high	94.6	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.9	171.9	-179.1	66.4	0	0	0	110	L28 E29 V57 V76 F88	L28-L45 HydrophobicContact CB-CB 4.13Å; L28-L45 HydrophobicContact CB-CD2 4.26Å; L28-L45 HydrophobicContact CB-CG 4.37Å; L28-L45 HydrophobicContact CD1-CD2 4.32Å; L28-L45 PolarHBondContact N-O 2.81Å; L28-L45 WeakPolarHBondContact O-CB 3.21Å; L28-L45 PolarHBondContact O-N 2.75Å; L28-L45 VanDerWaalsContact O-O 3.1Å; E29-L45 HydrophobicContact CB-CB 4.18Å; E29-L45 PolarHBondContact O-N 2.89Å; L45-V57 HydrophobicContact CD1-CG2 4.05Å; L45-V76 HydrophobicContact CD1-CB 3.74Å; L45-V76 HydrophobicContact CD1-CG1 3.89Å; L45-F88 HydrophobicContact CB-CD1 4.39Å; L45-F88 HydrophobicContact CB-CE1 3.88Å
46	E	96.5	Very high	94.7	Very high	8 Å²	8	48.7 Å²	48.7	4%	0.037	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.8	168	-60.6	-173.5	170.5	0	0	109.8	R25 V26 F27 W44 R48 G55 V56	R25-E46 IonicContact NH1-OE2 3.79Å; V26-E46 CarbonylContact O-C 3.59Å; V26-E46 WeakPolarHBondContact O-CA 3.33Å; F27-E46 HydrophobicContact CD1-CG 4.15Å; F27-E46 HydrophobicContact CE1-CG 4.07Å; F27-E46 WeakPolarHBondContact CE1-OE1 3.06Å; W44-E46 VanDerWaalsContact CD1-CG 3.49Å; W44-E46 VanDerWaalsContact NE1-CG 3.28Å; W44-E46 PolarHBondContact NE1-OE1 2.99Å; E46-R48 HydrophobicContact CB-CG 4.28Å; E46-R48 IonicContact OE2-CZ 3.06Å; E46-R48 IonicContact OE2-NE 2.65Å; E46-R48 PolarHBondContact OE2-NE 2.75Å; E46-R48 VanDerWaalsContact OE2-NE 3.12Å; E46-R48 IonicContact OE2-NH2 3.49Å; E46-R48 PolarHBondContact OE2-NH2 3.48Å; E46-G55 CarbonylContact O-C 3.54Å; E46-G55 WeakPolarHBondContact O-CA 3.28Å; E46-V56 PolarHBondContact N-O 3.14Å; E46-V56 PolarHBondContact O-N 2.83Å
47	R	93.7	Very high	94.8	Very high	101 Å²	101	41.2 Å²	41.2	38%	0.381	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	111	163.7	-172.3	172.3	66.6	-177.6	0.4	109.1	R25 V26 L28 G53 R54	R25-R47 WeakPolarHBondContact CA-O 3.31Å; V26-R47 HydrophobicContact CB-CB 4.19Å; V26-R47 PolarHBondContact N-O 2.8Å; V26-R47 PolarHBondContact O-N 2.99Å; L28-R47 HydrophobicContact CD1-CB 3.87Å; R47-G53 WeakPolarHBondContact CG-O 3.41Å; R47-R54 WeakPolarHBondContact CA-O 3.48Å
48	R	94.1	Very high	95	Very high	7 Å²	7	38.6 Å²	38.6	3%	0.026	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	104.1	-175.2	-63.8	-173.6	177.9	177.3	-1	111	E46 H50 E51 G53 R54 V56 E68	E46-R48 HydrophobicContact CB-CG 4.28Å; E46-R48 IonicContact OE2-CZ 3.06Å; E46-R48 IonicContact OE2-NE 2.65Å; E46-R48 PolarHBondContact OE2-NE 2.75Å; E46-R48 VanDerWaalsContact OE2-NE 3.12Å; E46-R48 IonicContact OE2-NH2 3.49Å; E46-R48 PolarHBondContact OE2-NH2 3.48Å; R48-H50 VanDerWaalsContact C-N 3.34Å; R48-H50 PolarHBondContact O-N 3.2Å; R48-E51 HydrophobicContact CB-CB 4.02Å; R48-E51 HydrophobicContact CB-CG 4.01Å; R48-E51 VanDerWaalsContact CD-CD 3.48Å; R48-E51 WeakPolarHBondContact CD-OE1 3.27Å; R48-E51 IonicContact CZ-OE1 3.54Å; R48-E51 IonicContact NE-OE1 3.58Å; R48-E51 IonicContact NH1-OE1 3.12Å; R48-E51 PolarHBondContact NH1-OE1 3.01Å; R48-E51 CarbonylContact O-C 3.59Å; R48-E51 PolarHBondContact O-N 2.92Å; R48-E51 VanDerWaalsContact O-N 3.12Å; R48-G53 WeakPolarHBondContact O-CA 3.1Å; R48-G53 PolarHBondContact O-N 2.83Å; R48-R54 PolarHBondContact N-O 2.89Å; R48-R54 PolarHBondContact O-N 2.7Å; R48-V56 HydrophobicContact CG-CG2 4.32Å; R48-E68 IonicContact CZ-OE1 3.98Å; R48-E68 VanDerWaalsContact CZ-OE1 3.3Å; R48-E68 IonicContact CZ-OE2 3.1Å; R48-E68 VanDerWaalsContact NH1-CD 3.32Å; R48-E68 IonicContact NH1-OE1 3.18Å; R48-E68 PolarHBondContact NH1-OE1 3.21Å; R48-E68 VanDerWaalsContact NH1-OE1 3.1Å; R48-E68 IonicContact NH1-OE2 3Å; R48-E68 PolarHBondContact NH1-OE2 2.7Å; R48-E68 IonicContact NH2-OE1 2.69Å; R48-E68 PolarHBondContact NH2-OE1 3.11Å; R48-E68 IonicContact NH2-OE2 3.3Å; R48-E68 PolarHBondContact NH2-OE2 3.34Å
49	L	89.6	Confident	95.2	Very high	71 Å²	71	38.6 Å²	38.6	37%	0.372	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-65.2	-37.3	-176.3	-68.2	-176	0	0	0	112.6	S24 E51 G52	S24-L49 PolarHBondContact O-N 2.86Å; L49-E51 PolarHBondContact O-N 3.43Å; L49-G52 PolarHBondContact O-N 3.01Å
50	H	88.8	Confident	95.3	Very high	85 Å²	85	34.3 Å²	34.3	39%	0.394	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-66.1	-13.2	175.7	61.7	-81.4	0	0	0	113.9	T21 R48	T21-H50 PolarHBondContact O-N 3.45Å; R48-H50 VanDerWaalsContact C-N 3.34Å; R48-H50 PolarHBondContact O-N 3.2Å
51	E	92.7	Very high	95.4	Very high	63 Å²	63	37.1 Å²	37.1	29%	0.294	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-108.7	35	175	-55.8	-177.2	-163.9	0	0	111.3	R48 L49 G53 R54	R48-E51 HydrophobicContact CB-CB 4.02Å; R48-E51 HydrophobicContact CB-CG 4.01Å; R48-E51 VanDerWaalsContact CD-CD 3.48Å; R48-E51 WeakPolarHBondContact CD-OE1 3.27Å; R48-E51 IonicContact CZ-OE1 3.54Å; R48-E51 IonicContact NE-OE1 3.58Å; R48-E51 IonicContact NH1-OE1 3.12Å; R48-E51 PolarHBondContact NH1-OE1 3.01Å; R48-E51 CarbonylContact O-C 3.59Å; R48-E51 PolarHBondContact O-N 2.92Å; R48-E51 VanDerWaalsContact O-N 3.12Å; L49-E51 PolarHBondContact O-N 3.43Å; E51-G53 PolarHBondContact O-N 2.87Å; E51-R54 HydrophobicContact CB-CB 4.02Å; E51-R54 WeakPolarHBondContact O-CB 3.39Å; E51-R54 PolarHBondContact O-N 3.23Å; E51-R54 IonicContact OE1-NH2 2.79Å; E51-R54 IonicContact OE2-CZ 3.95Å; E51-R54 IonicContact OE2-NE 3.98Å; E51-R54 PolarHBondContact OE2-NE 2.83Å; E51-R54 IonicContact OE2-NH2 3.29Å; E51-R54 PolarHBondContact OE2-NH2 3.37Å
52	G	90.9	Very high	94.9	Very high	82 Å²	82	41.6 Å²	41.6	85%	0.845	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.8	22.3	-179.8	0	0	0	0	0	114	L49	L49-G52 PolarHBondContact O-N 3.01Å
53	G	91.6	Very high	94.5	Very high	26 Å²	26	43 Å²	43	27%	0.268	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	20.4	-176.7	0	0	0	0	0	113.9	R47 R48 E51	R47-G53 WeakPolarHBondContact CG-O 3.41Å; R48-G53 WeakPolarHBondContact O-CA 3.1Å; R48-G53 PolarHBondContact O-N 2.83Å; E51-G53 PolarHBondContact O-N 2.87Å
54	R	95.4	Very high	94.3	Very high	31 Å²	31	44 Å²	44	12%	0.117	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	135.7	177	-166.4	169.2	74.1	93.5	-1.2	111.3	R47 R48 E51 V56 T70 P71 Y74 S75	R47-R54 WeakPolarHBondContact CA-O 3.48Å; R48-R54 PolarHBondContact N-O 2.89Å; R48-R54 PolarHBondContact O-N 2.7Å; E51-R54 HydrophobicContact CB-CB 4.02Å; E51-R54 WeakPolarHBondContact O-CB 3.39Å; E51-R54 PolarHBondContact O-N 3.23Å; E51-R54 IonicContact OE1-NH2 2.79Å; E51-R54 IonicContact OE2-CZ 3.95Å; E51-R54 IonicContact OE2-NE 3.98Å; E51-R54 PolarHBondContact OE2-NE 2.83Å; E51-R54 IonicContact OE2-NH2 3.29Å; E51-R54 PolarHBondContact OE2-NH2 3.37Å; R54-V56 HydrophobicContact CG-CG2 4.39Å; R54-V56 VanDerWaalsContact CZ-CG2 3.43Å; R54-T70 PolarHBondContact NH1-O 3.36Å; R54-P71 PolarHBondContact NH1-O 2.76Å; R54-Y74 VanDerWaalsContact CD-O 3.23Å; R54-Y74 WeakPolarHBondContact CD-O 3.32Å; R54-Y74 WeakPolarHBondContact CG-O 3.3Å; R54-Y74 PolarHBondContact NH1-O 3.24Å; R54-S75 WeakPolarHBondContact CA-OG 3.43Å
55	G	96.5	Very high	94.2	Very high	4 Å²	4	50.2 Å²	50.2	4%	0.041	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	118	172.9	0	0	0	0	0	110.5	E46 S75 V76	E46-G55 CarbonylContact O-C 3.54Å; E46-G55 WeakPolarHBondContact O-CA 3.28Å; G55-S75 PolarHBondContact N-OG 2.95Å; G55-V76 PolarHBondContact O-N 3.02Å
56	V	97.9	Very high	94.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	118.2	-178.5	-176.6	0	0	0	0	109.3	E46 R48 R54 E68	E46-V56 PolarHBondContact N-O 3.14Å; E46-V56 PolarHBondContact O-N 2.83Å; R48-V56 HydrophobicContact CG-CG2 4.32Å; R54-V56 HydrophobicContact CG-CG2 4.39Å; R54-V56 VanDerWaalsContact CZ-CG2 3.43Å; V56-E68 HydrophobicContact CG1-CB 4.41Å
57	V	98.4	Very high	94.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	128.5	171.2	174.9	0	0	0	0	108.9	Y43 W44 L45 W69 T70 V76 F88 L95	Y43-V57 HydrophobicContact CD1-CG1 4.43Å; W44-V57 WeakPolarHBondContact O-CA 3.48Å; L45-V57 HydrophobicContact CD1-CG2 4.05Å; V57-W69 HydrophobicContact CB-CB 4.36Å; V57-W69 HydrophobicContact CG1-CB 4.43Å; V57-W69 HydrophobicContact CG1-CG 4.49Å; V57-W69 WeakPolarHBondContact O-CB 3.34Å; V57-W69 PolarHBondContact O-N 3.09Å; V57-T70 PolarHBondContact N-OG1 3Å; V57-V76 HydrophobicContact CG2-CB 4.14Å; V57-V76 HydrophobicContact CG2-CG1 3.95Å; V57-V76 HydrophobicContact CG2-CG2 3.88Å; V57-F88 HydrophobicContact CG1-CD2 4.32Å; V57-F88 HydrophobicContact CG1-CE2 4.14Å; V57-F88 HydrophobicContact CG2-CB 4.32Å; V57-F88 HydrophobicContact CG2-CD1 3.99Å; V57-F88 HydrophobicContact CG2-CD2 4.16Å; V57-F88 HydrophobicContact CG2-CE1 4.33Å; V57-F88 HydrophobicContact CG2-CE2 4.47Å; V57-F88 HydrophobicContact CG2-CG 3.89Å; V57-L95 HydrophobicContact CB-CD1 4.42Å; V57-L95 HydrophobicContact CB-CD2 3.84Å; V57-L95 HydrophobicContact CG1-CD1 3.87Å; V57-L95 HydrophobicContact CG1-CD2 3.87Å; V57-L95 HydrophobicContact CG2-CD1 4.29Å; V57-L95 HydrophobicContact CG2-CD2 4.19Å
58	C	98.1	Very high	94.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	157.3	174.3	-61.8	0	0	0	0	109.7	Y43 W44 T66 L67	Y43-C58 CarbonylContact C-O 3.48Å; Y43-C58 VanDerWaalsContact CA-O 3.27Å; Y43-C58 WeakPolarHBondContact CA-O 3.32Å; W44-C58 HydrophobicContact CD2-CB 3.96Å; W44-C58 HydrophobicContact CE3-CB 4.47Å; W44-C58 HydrophobicContact CH2-CB 4.02Å; W44-C58 HydrophobicContact CZ2-CB 3.44Å; W44-C58 VanDerWaalsContact CZ2-CB 3.44Å; W44-C58 HydrophobicContact CZ3-CB 4.49Å; W44-C58 PolarHBondContact N-O 2.66Å; W44-C58 PolarHBondContact O-N 3.4Å; C58-T66 HydrophobicContact CB-CG2 4.08Å; C58-L67 CarbonylContact C-O 3.54Å; C58-L67 VanDerWaalsContact CA-O 3.23Å; C58-L67 WeakPolarHBondContact CA-O 3.4Å
59	S	98.1	Very high	94.7	Very high	4 Å²	4	56 Å²	56	3%	0.028	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	154.7	173.4	73.2	0	0	0	0	111.8	V42 Y43 L67 W69	V42-S59 CarbonylContact O-C 3.6Å; V42-S59 WeakPolarHBondContact O-CA 3.44Å; Y43-S59 VanDerWaalsContact CD1-CB 3.41Å; Y43-S59 VanDerWaalsContact CE1-CB 3.46Å; S59-L67 PolarHBondContact N-O 2.91Å; S59-L67 PolarHBondContact O-N 3.37Å; S59-W69 VanDerWaalsContact CB-NE1 3.32Å; S59-W69 PolarHBondContact OG-NE1 2.87Å
60	K	97.7	Very high	95.1	Very high	78 Å²	78	52.9 Å²	52.9	34%	0.339	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	133.1	175	177.1	163.9	175.1	140.2	0	110.9	I41 V42 W44 G64	I41-K60 WeakPolarHBondContact CA-O 3.27Å; V42-K60 PolarHBondContact N-O 2.92Å; V42-K60 PolarHBondContact O-N 3.49Å; W44-K60 HydrophobicContact CH2-CB 3.73Å; W44-K60 HydrophobicContact CZ3-CB 3.68Å; K60-G64 WeakPolarHBondContact CE-O 3.34Å; K60-G64 PolarHBondContact NZ-O 2.74Å
61	I	96.1	Very high	95.5	Very high	102 Å²	102	50.3 Å²	50.3	52%	0.523	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	139.7	160.9	-70.1	160	0	0	0	107.6	G40 I41 G63 G64	G40-I61 WeakPolarHBondContact O-CA 3.4Å; I41-I61 HydrophobicContact CD1-CG1 4.16Å; I41-I61 HydrophobicContact CG1-CG1 3.74Å; I61-G63 PolarHBondContact O-N 2.91Å; I61-G64 PolarHBondContact O-N 2.89Å
62	V	86.4	Confident	95.6	Very high	124 Å²	124	52.4 Å²	52.4	75%	0.752	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	118.1	175.2	179.9	0	0	0	0	110.4	G40 G64	G40-V62 PolarHBondContact O-N 3.38Å; G40-V62 VanDerWaalsContact O-N 3.15Å; V62-G64 VanDerWaalsContact C-N 3.33Å; V62-G64 PolarHBondContact O-N 2.94Å
63	G	88.8	Confident	95.8	Very high	78 Å²	78	53.5 Å²	53.5	80%	0.804	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	-6.2	-177.2	0	0	0	0	0	116.2	I61	I61-G63 PolarHBondContact O-N 2.91Å
64	G	94.2	Very high	96.1	Very high	27 Å²	27	54 Å²	54	28%	0.278	31%	0.312	S	S	.	.	S	Bend	trans	-88.1	-174.1	177.8	0	0	0	0	0	114.5	K60 I61 V62	K60-G64 WeakPolarHBondContact CE-O 3.34Å; K60-G64 PolarHBondContact NZ-O 2.74Å; I61-G64 PolarHBondContact O-N 2.89Å; V62-G64 VanDerWaalsContact C-N 3.33Å; V62-G64 PolarHBondContact O-N 2.94Å
65	E	96.3	Very high	96.2	Very high	163 Å²	163	53.8 Å²	53.8	76%	0.762	32%	0.316	S	S	*	.			trans	-75.8	155.2	172	-68.7	-60.2	150	0	0	111.9
66	T	97.1	Very high	96.3	Very high	65 Å²	65	53.7 Å²	53.7	40%	0.399	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	129.8	170.6	-62.6	0	0	0	0	109.4	W44 C58	W44-T66 HydrophobicContact CH2-CG2 3.74Å; W44-T66 HydrophobicContact CZ2-CG2 3.67Å; C58-T66 HydrophobicContact CB-CG2 4.08Å
67	L	97.7	Very high	96.1	Very high	68 Å²	68	60 Å²	60	36%	0.356	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.7	174.1	-57.6	176.4	0	0	0	110	C58 S59 H111	C58-L67 CarbonylContact C-O 3.54Å; C58-L67 VanDerWaalsContact CA-O 3.23Å; C58-L67 WeakPolarHBondContact CA-O 3.4Å; S59-L67 PolarHBondContact N-O 2.91Å; S59-L67 PolarHBondContact O-N 3.37Å; L67-H111 HydrophobicContact CB-CB 4.5Å
68	E	97.7	Very high	95.9	Very high	92 Å²	92	60 Å²	60	43%	0.43	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.1	170.3	-60.2	-170	-175.6	0	0	109.9	R48 V56	R48-E68 IonicContact CZ-OE1 3.98Å; R48-E68 VanDerWaalsContact CZ-OE1 3.3Å; R48-E68 IonicContact CZ-OE2 3.1Å; R48-E68 VanDerWaalsContact NH1-CD 3.32Å; R48-E68 IonicContact NH1-OE1 3.18Å; R48-E68 PolarHBondContact NH1-OE1 3.21Å; R48-E68 VanDerWaalsContact NH1-OE1 3.1Å; R48-E68 IonicContact NH1-OE2 3Å; R48-E68 PolarHBondContact NH1-OE2 2.7Å; R48-E68 IonicContact NH2-OE1 2.69Å; R48-E68 PolarHBondContact NH2-OE1 3.11Å; R48-E68 IonicContact NH2-OE2 3.3Å; R48-E68 PolarHBondContact NH2-OE2 3.34Å; V56-E68 HydrophobicContact CG1-CB 4.41Å
69	W	98.4	Very high	95.5	Very high	14 Å²	14	61 Å²	61	5%	0.053	35%	0.345	C	S	.	.			trans	-99.9	-43.8	179.3	-71.4	64.4	0	0	0	111.5	Y43 V57 S59 P71 G93 L95 Q108 H111	Y43-W69 HydrophobicContact CE1-CD2 4.49Å; Y43-W69 AromaticContact CE1-CE2 3.67Å; Y43-W69 HydrophobicContact CE1-CH2 4.24Å; Y43-W69 AromaticContact CE1-CZ2 3.54Å; Y43-W69 HydrophobicContact CE1-CZ2 3.54Å; Y43-W69 AromaticContact CE1-NE1 3.83Å; V57-W69 HydrophobicContact CB-CB 4.36Å; V57-W69 HydrophobicContact CG1-CB 4.43Å; V57-W69 HydrophobicContact CG1-CG 4.49Å; V57-W69 WeakPolarHBondContact O-CB 3.34Å; V57-W69 PolarHBondContact O-N 3.09Å; S59-W69 VanDerWaalsContact CB-NE1 3.32Å; S59-W69 PolarHBondContact OG-NE1 2.87Å; W69-P71 WeakPolarHBondContact O-CD 3.32Å; W69-G93 VanDerWaalsContact CH2-O 3.31Å; W69-G93 WeakPolarHBondContact CH2-O 3.37Å; W69-L95 HydrophobicContact CB-CD2 3.69Å; W69-L95 HydrophobicContact CD2-CB 4.28Å; W69-L95 HydrophobicContact CD2-CD2 4.28Å; W69-L95 HydrophobicContact CE3-CB 3.48Å; W69-L95 VanDerWaalsContact CE3-CB 3.48Å; W69-L95 HydrophobicContact CE3-CD2 4.04Å; W69-L95 HydrophobicContact CE3-CG 4.39Å; W69-L95 HydrophobicContact CG-CD2 4.17Å; W69-L95 HydrophobicContact CZ3-CB 3.76Å; W69-Q108 HydrophobicContact CE3-CG 4.35Å; W69-Q108 PolarHBondContact O-NE2 2.69Å; W69-Q108 PolarHBondContact O-OE1 2.86Å; W69-Q108 VanDerWaalsContact O-OE1 3.09Å; W69-H111 HydrophobicContact CD2-CB 3.79Å; W69-H111 HydrophobicContact CE3-CB 4.32Å; W69-H111 HydrophobicContact CG-CB 3.95Å; W69-H111 HydrophobicContact CZ2-CB 4.23Å
70	T	98.2	Very high	94.9	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.031	34%	0.344	C	S	.	.	S	Bend	trans	-78.5	113.4	-167.1	-49.6	0	0	0	0	112.5	R54 V57 Y74 V76	R54-T70 PolarHBondContact NH1-O 3.36Å; V57-T70 PolarHBondContact N-OG1 3Å; T70-Y74 WeakPolarHBondContact CG2-O 3.3Å; T70-V76 HydrophobicContact CG2-CG2 3.87Å; T70-V76 WeakPolarHBondContact OG1-CG2 3.4Å
71	P	97.3	Very high	94.2	Very high	31 Å²	31	59.6 Å²	59.6	20%	0.201	34%	0.339	C	S	.	.			trans	-64.4	160.9	176.7	-18.4	33.7	0	0	0	112.1	R54 W69 D73 Y74 P115	R54-P71 PolarHBondContact NH1-O 2.76Å; W69-P71 WeakPolarHBondContact O-CD 3.32Å; P71-D73 WeakPolarHBondContact CB-OD1 3.43Å; P71-D73 PolarHBondContact O-N 3.1Å; P71-Y74 HydrophobicContact CB-CD2 4.16Å; P71-Y74 HydrophobicContact CG-CD2 4.22Å; P71-Y74 PolarHBondContact O-N 3.13Å; P71-P115 HydrophobicContact CG-CG 4.15Å
72	S	95.2	Very high	93.4	Very high	106 Å²	106	61.1 Å²	61.1	74%	0.741	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-25	-169.4	52	0	0	0	0	115.1	Y74	S72-Y74 VanDerWaalsContact C-N 3.29Å
73	D	95.6	Very high	92.6	Very high	105 Å²	105	64.2 Å²	64.2	56%	0.561	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-7.9	176.5	56.4	-34.2	0	0	0	113.6	P71	P71-D73 WeakPolarHBondContact CB-OD1 3.43Å; P71-D73 PolarHBondContact O-N 3.1Å
74	Y	97.6	Very high	91.7	Very high	37 Å²	37	60.6 Å²	60.6	15%	0.145	31%	0.306	C	S	.	.			trans	-113.6	149.1	179	-65.5	-87.6	0	0	0	112.6	R54 T70 P71 S72 F97 Y106 P115	R54-Y74 VanDerWaalsContact CD-O 3.23Å; R54-Y74 WeakPolarHBondContact CD-O 3.32Å; R54-Y74 WeakPolarHBondContact CG-O 3.3Å; R54-Y74 PolarHBondContact NH1-O 3.24Å; T70-Y74 WeakPolarHBondContact CG2-O 3.3Å; P71-Y74 HydrophobicContact CB-CD2 4.16Å; P71-Y74 HydrophobicContact CG-CD2 4.22Å; P71-Y74 PolarHBondContact O-N 3.13Å; S72-Y74 VanDerWaalsContact C-N 3.29Å; Y74-F97 HydrophobicContact CD1-CE2 4.01Å; Y74-F97 HydrophobicContact CD1-CZ 4.04Å; Y74-F97 HydrophobicContact CG-CE2 4.41Å; Y74-F97 HydrophobicContact CG-CZ 4.25Å; Y74-Y106 AromaticContact CE1-CD1 3.87Å; Y74-Y106 HydrophobicContact CE1-CD1 3.87Å; Y74-Y106 HydrophobicContact CE1-CD2 4.46Å; Y74-Y106 AromaticContact CE1-CE1 3.57Å; Y74-Y106 HydrophobicContact CE1-CE1 3.57Å; Y74-Y106 HydrophobicContact CE1-CE2 4.2Å; Y74-Y106 HydrophobicContact CE1-CG 4.32Å; Y74-Y106 AromaticContact CE1-CZ 3.76Å; Y74-P115 HydrophobicContact CD2-CG 4.01Å; Y74-P115 HydrophobicContact CE1-CB 4.43Å; Y74-P115 HydrophobicContact CE2-CB 4.4Å; Y74-P115 HydrophobicContact CE2-CG 3.88Å; Y74-P115 HydrophobicContact CG-CG 4.4Å
75	S	97.2	Very high	91.2	Very high	27 Å²	27	59.3 Å²	59.3	19%	0.189	29%	0.294	C	S	.	.			trans	-133.9	115.7	171.6	-174	0	0	0	0	108.9	R54 G55 R77 A100	R54-S75 WeakPolarHBondContact CA-OG 3.43Å; G55-S75 PolarHBondContact N-OG 2.95Å; S75-R77 PolarHBondContact O-N 2.65Å; S75-A100 WeakPolarHBondContact O-CB 3.13Å; S75-A100 PolarHBondContact O-N 3.31Å
76	V	97.6	Very high	91	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.006	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-77.4	109.5	-179.8	177.9	0	0	0	0	109.8	L45 G55 V57 T70 F88 F97	L45-V76 HydrophobicContact CD1-CB 3.74Å; L45-V76 HydrophobicContact CD1-CG1 3.89Å; G55-V76 PolarHBondContact O-N 3.02Å; V57-V76 HydrophobicContact CG2-CB 4.14Å; V57-V76 HydrophobicContact CG2-CG1 3.95Å; V57-V76 HydrophobicContact CG2-CG2 3.88Å; T70-V76 HydrophobicContact CG2-CG2 3.87Å; T70-V76 WeakPolarHBondContact OG1-CG2 3.4Å; V76-F88 HydrophobicContact CG1-CB 4.09Å; V76-F88 HydrophobicContact CG1-CD1 4.5Å; V76-F97 HydrophobicContact CB-CD2 4.48Å; V76-F97 HydrophobicContact CG1-CB 3.9Å; V76-F97 HydrophobicContact CG2-CB 3.96Å; V76-F97 HydrophobicContact CG2-CD2 3.61Å; V76-F97 HydrophobicContact CG2-CE2 4.19Å; V76-F97 HydrophobicContact CG2-CG 3.79Å
77	R	95.3	Very high	90.9	Very high	132 Å²	132	48.6 Å²	48.6	50%	0.498	24%	0.239	S	C	.	.			trans	-167.4	131.9	175.5	171.9	171.3	77.3	139.1	6.1	110.4	S75 V98 A100	S75-R77 PolarHBondContact O-N 2.65Å; R77-V98 PolarHBondContact N-O 3.43Å; R77-A100 HydrophobicContact CB-CB 4.01Å
78	S	93.3	Very high	90.9	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.014	22%	0.223	C	C	.	.			trans	-85.2	146.7	163.7	-178.7	0	0	0	0	111.3	V80 G84 G85 Y127	S78-V80 WeakPolarHBondContact OG-CG2 3.47Å; S78-V80 PolarHBondContact OG-N 3Å; S78-V80 VanDerWaalsContact OG-N 3.1Å; S78-G84 VanDerWaalsContact O-CA 3.26Å; S78-G84 WeakPolarHBondContact O-CA 3.38Å; S78-G85 WeakPolarHBondContact CB-O 3.17Å; S78-Y127 VanDerWaalsContact CB-O 3.28Å; S78-Y127 WeakPolarHBondContact CB-O 3.27Å; S78-Y127 PolarHBondContact OG-O 2.82Å
79	S	89.1	Confident	90.9	Very high	20 Å²	20	41.8 Å²	41.8	14%	0.14	21%	0.206	C	C	.	.			trans	-106.3	6.2	173.3	53.6	0	0	0	0	112.6	H81 E82 N103 R126	S79-H81 PolarHBondContact O-N 3.18Å; S79-E82 PolarHBondContact O-N 2.92Å; S79-N103 PolarHBondContact OG-OD1 2.97Å; S79-R126 PolarHBondContact O-NH1 2.91Å; S79-R126 WeakPolarHBondContact OG-CD 3.47Å; S79-R126 WeakPolarHBondContact OG-CG 3.26Å
80	V	87	Confident	90.9	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	133.1	173.2	172.6	0	0	0	0	109.3	S78 E82 G84 R126 A128 V140 E142 T174	S78-V80 WeakPolarHBondContact OG-CG2 3.47Å; S78-V80 PolarHBondContact OG-N 3Å; S78-V80 VanDerWaalsContact OG-N 3.1Å; V80-E82 PolarHBondContact O-N 2.89Å; V80-G84 PolarHBondContact O-N 2.87Å; V80-R126 HydrophobicContact CG2-CB 3.82Å; V80-A128 HydrophobicContact CB-CB 3.86Å; V80-A128 HydrophobicContact CG1-CB 4.25Å; V80-A128 HydrophobicContact CG2-CB 3.8Å; V80-V140 HydrophobicContact CG1-CG1 4.38Å; V80-E142 WeakPolarHBondContact CA-OE2 3.32Å; V80-E142 HydrophobicContact CG1-CG 3.99Å; V80-E142 HydrophobicContact CG2-CG 4.35Å; V80-T174 HydrophobicContact CB-CG2 4.28Å; V80-T174 HydrophobicContact CG1-CG2 3.46Å; V80-T174 VanDerWaalsContact CG1-CG2 3.46Å
81	H	82.7	Confident	90.8	Very high	51 Å²	51	43.2 Å²	43.2	24%	0.236	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	13.4	-172.6	-54.6	132.3	0	0	0	115.6	S79 Y83 E142 N151 W172 T174	S79-H81 PolarHBondContact O-N 3.18Å; H81-Y83 HydrophobicContact CB-CD2 4.22Å; H81-Y83 WeakPolarHBondContact O-CD2 3.32Å; H81-Y83 PolarHBondContact O-N 3.07Å; H81-E142 WeakPolarHBondContact CA-OE1 3.46Å; H81-E142 IonicContact CD2-OE1 3.63Å; H81-E142 PolarHBondContact CD2-OE1 3.33Å; H81-E142 IonicContact CG-OE1 3.99Å; H81-E142 PolarHBondContact N-OE1 3Å; H81-E142 PolarHBondContact N-OE2 2.94Å; H81-E142 IonicContact NE2-OE1 2.98Å; H81-N151 PolarHBondContact NE2-OD1 2.99Å; H81-W172 PolarHBondContact CE1-O 3.29Å; H81-W172 PolarHBondContact NE2-O 3.5Å; H81-T174 PolarHBondContact ND1-OG1 2.84Å
82	E	79	Confident	90.8	Very high	135 Å²	135	44.9 Å²	44.9	63%	0.631	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	-15.7	-176.1	-59.6	-66.9	164	0	0	116.3	S79 V80 R126	S79-E82 PolarHBondContact O-N 2.92Å; V80-E82 PolarHBondContact O-N 2.89Å; E82-R126 IonicContact OE1-CZ 2.91Å; E82-R126 VanDerWaalsContact OE1-CZ 3.32Å; E82-R126 IonicContact OE1-NH1 3.36Å; E82-R126 PolarHBondContact OE1-NH1 3.03Å; E82-R126 IonicContact OE1-NH2 3.73Å; E82-R126 PolarHBondContact OE1-NH2 3.48Å; E82-R126 VanDerWaalsContact OE1-NH2 3.08Å
83	Y	68.9	Low	90.8	Very high	188 Å²	188	40.9 Å²	40.9	74%	0.737	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-27.7	172.7	-62.8	-74.5	0	0	0	111.8	H81 R177	H81-Y83 HydrophobicContact CB-CD2 4.22Å; H81-Y83 WeakPolarHBondContact O-CD2 3.32Å; H81-Y83 PolarHBondContact O-N 3.07Å; Y83-R177 PolarHBondContact O-NE 3.36Å
84	G	70.5	Confident	90.9	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.021	18%	0.178	C	C	.	.			trans	65.5	-171.5	-172	0	0	0	0	0	113.2	S78 V80	S78-G84 VanDerWaalsContact O-CA 3.26Å; S78-G84 WeakPolarHBondContact O-CA 3.38Å; V80-G84 PolarHBondContact O-N 2.87Å
85	G	82.6	Confident	91	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.01	17%	0.171	C	C	.	.			trans	115.5	163.5	-165	0	0	0	0	0	110	E29 S78 S87	E29-G85 WeakPolarHBondContact OE1-CA 3.48Å; S78-G85 WeakPolarHBondContact CB-O 3.17Å; G85-S87 PolarHBondContact O-N 2.83Å; G85-S87 VanDerWaalsContact O-N 3.09Å
86	G	92.3	Very high	91	Very high	2 Å²	2	33.7 Å²	33.7	2%	0.021	16%	0.163	C	C	.	.			trans	57.9	27.7	-178.3	0	0	0	0	0	113.5	E29 F88 A128 D129	E29-G86 PolarHBondContact OE2-N 3.13Å; G86-F88 VanDerWaalsContact C-N 3.32Å; G86-F88 PolarHBondContact O-N 3.03Å; G86-A128 CarbonylContact O-C 3.59Å; G86-A128 WeakPolarHBondContact O-CA 3.36Å; G86-D129 WeakPolarHBondContact CA-OD1 3.31Å; G86-D129 PolarHBondContact O-N 2.84Å
87	S	95.5	Very high	91	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.163	C	C	.	.			trans	-80.5	-17.6	-167.9	62.4	0	0	0	0	112.9	E29 G85 F97 V98	E29-S87 WeakPolarHBondContact OE1-CB 3.49Å; E29-S87 PolarHBondContact OE1-OG 2.61Å; E29-S87 PolarHBondContact OE2-N 3.31Å; E29-S87 PolarHBondContact OE2-OG 2.93Å; G85-S87 PolarHBondContact O-N 2.83Å; G85-S87 VanDerWaalsContact O-N 3.09Å; S87-F97 CarbonylContact O-C 3.55Å; S87-F97 VanDerWaalsContact O-CA 3.31Å; S87-F97 WeakPolarHBondContact O-CA 3.29Å; S87-V98 PolarHBondContact O-N 3.37Å
88	F	97.8	Very high	91.1	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.009	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	161.1	174	81.8	-80.5	0	0	0	113	E29 R31 L45 V57 V76 G86 V90 L95 Y96 F97	E29-F88 HydrophobicContact CB-CD1 4.32Å; E29-F88 HydrophobicContact CB-CE1 3.64Å; E29-F88 WeakPolarHBondContact O-CE1 3.31Å; E29-F88 VanDerWaalsContact O-CZ 3.31Å; E29-F88 WeakPolarHBondContact O-CZ 3.34Å; R31-F88 HydrophobicContact CB-CE2 3.66Å; R31-F88 HydrophobicContact CB-CZ 3.85Å; R31-F88 HydrophobicContact CG-CD2 4.18Å; R31-F88 HydrophobicContact CG-CE1 4.09Å; R31-F88 HydrophobicContact CG-CE2 3.53Å; R31-F88 HydrophobicContact CG-CZ 3.47Å; R31-F88 VanDerWaalsContact CG-CZ 3.47Å; R31-F88 PolarHBondContact NE-O 2.98Å; L45-F88 HydrophobicContact CB-CD1 4.39Å; L45-F88 HydrophobicContact CB-CE1 3.88Å; V57-F88 HydrophobicContact CG1-CD2 4.32Å; V57-F88 HydrophobicContact CG1-CE2 4.14Å; V57-F88 HydrophobicContact CG2-CB 4.32Å; V57-F88 HydrophobicContact CG2-CD1 3.99Å; V57-F88 HydrophobicContact CG2-CD2 4.16Å; V57-F88 HydrophobicContact CG2-CE1 4.33Å; V57-F88 HydrophobicContact CG2-CE2 4.47Å; V57-F88 HydrophobicContact CG2-CG 3.89Å; V76-F88 HydrophobicContact CG1-CB 4.09Å; V76-F88 HydrophobicContact CG1-CD1 4.5Å; G86-F88 VanDerWaalsContact C-N 3.32Å; G86-F88 PolarHBondContact O-N 3.03Å; F88-V90 HydrophobicContact CD2-CG2 4.27Å; F88-V90 HydrophobicContact CE2-CG2 4.2Å; F88-L95 HydrophobicContact CB-CD1 4.05Å; F88-L95 HydrophobicContact CD2-CD1 3.49Å; F88-L95 VanDerWaalsContact CD2-CD1 3.49Å; F88-L95 HydrophobicContact CE2-CD1 4.33Å; F88-L95 HydrophobicContact CG-CD1 4.14Å; F88-Y96 CarbonylContact C-O 3.6Å; F88-Y96 WeakPolarHBondContact CA-O 3.43Å; F88-Y96 VanDerWaalsContact CB-O 3.29Å; F88-Y96 WeakPolarHBondContact CB-O 3.39Å; F88-F97 HydrophobicContact CB-CB 3.83Å
89	F	97.7	Very high	91.3	Very high	15 Å²	15	27.2 Å²	27.2	7%	0.066	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	167	166.7	68	-84.9	0	0	0	109.5	H91 Y96 F105 G130 L132 I137	F89-H91 HydrophobicContact CE2-CB 4.49Å; F89-Y96 HydrophobicContact CD2-CD2 4.01Å; F89-Y96 HydrophobicContact CD2-CG 4.33Å; F89-Y96 HydrophobicContact CE1-CG 4.05Å; F89-Y96 HydrophobicContact CE2-CD1 4.37Å; F89-Y96 AromaticContact CE2-CD2 3.42Å; F89-Y96 HydrophobicContact CE2-CD2 3.42Å; F89-Y96 VanDerWaalsContact CE2-CD2 3.42Å; F89-Y96 HydrophobicContact CE2-CE2 4.13Å; F89-Y96 AromaticContact CE2-CG 3.58Å; F89-Y96 HydrophobicContact CE2-CG 3.58Å; F89-Y96 AromaticContact CZ-CD1 3.97Å; F89-Y96 HydrophobicContact CZ-CD1 3.97Å; F89-Y96 AromaticContact CZ-CD2 3.82Å; F89-Y96 HydrophobicContact CZ-CD2 3.82Å; F89-Y96 AromaticContact CZ-CG 3.42Å; F89-Y96 HydrophobicContact CZ-CG 3.42Å; F89-Y96 VanDerWaalsContact CZ-CG 3.42Å; F89-Y96 PolarHBondContact N-O 2.64Å; F89-Y96 PolarHBondContact O-N 3.08Å; F89-Y96 VanDerWaalsContact O-O 3.08Å; F89-F105 HydrophobicContact CD1-CE1 4.41Å; F89-F105 AromaticContact CE1-CE1 3.95Å; F89-F105 HydrophobicContact CE1-CE1 3.95Å; F89-F105 HydrophobicContact CE1-CZ 4.41Å; F89-G130 WeakPolarHBondContact CB-O 3.34Å; F89-G130 WeakPolarHBondContact CD1-O 3.47Å; F89-G130 WeakPolarHBondContact CG-O 3.34Å; F89-L132 HydrophobicContact CE2-CB 3.99Å; F89-I137 HydrophobicContact CE1-CG2 3.87Å; F89-I137 HydrophobicContact CZ-CD1 4.13Å; F89-I137 HydrophobicContact CZ-CG1 4.06Å; F89-I137 HydrophobicContact CZ-CG2 3.88Å
90	V	98	Very high	91.5	Very high	6 Å²	6	27.7 Å²	27.7	4%	0.036	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	139.7	-180	-167.1	0	0	0	0	108.5	D33 P34 Y43 F88 S94 L95	D33-V90 HydrophobicContact CB-CB 4Å; D33-V90 HydrophobicContact CB-CG1 3.75Å; P34-V90 WeakPolarHBondContact CD-O 3.18Å; Y43-V90 HydrophobicContact CD1-CG2 3.76Å; Y43-V90 HydrophobicContact CD2-CB 4.5Å; Y43-V90 HydrophobicContact CD2-CG1 4.5Å; Y43-V90 HydrophobicContact CD2-CG2 3.94Å; Y43-V90 HydrophobicContact CE1-CG1 4.09Å; Y43-V90 HydrophobicContact CE1-CG2 4.07Å; Y43-V90 HydrophobicContact CE2-CB 4.46Å; Y43-V90 HydrophobicContact CE2-CG1 4Å; Y43-V90 HydrophobicContact CE2-CG2 4.26Å; Y43-V90 HydrophobicContact CG-CG2 3.7Å; F88-V90 HydrophobicContact CD2-CG2 4.27Å; F88-V90 HydrophobicContact CE2-CG2 4.2Å; V90-S94 WeakPolarHBondContact CA-O 3.47Å; V90-S94 VanDerWaalsContact CG1-O 3.27Å; V90-S94 WeakPolarHBondContact CG1-O 3.41Å; V90-L95 HydrophobicContact CG2-CD1 4.12Å
91	H	97.5	Very high	91.8	Very high	44 Å²	44	30.7 Å²	30.7	20%	0.204	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	128.5	175.4	-167.6	-67.4	0	0	0	110.6	F89 G93 S94 Y96 L132	F89-H91 HydrophobicContact CE2-CB 4.49Å; H91-G93 VanDerWaalsContact C-N 3.32Å; H91-G93 PolarHBondContact O-N 2.85Å; H91-S94 PolarHBondContact N-O 3.47Å; H91-S94 PolarHBondContact O-N 2.98Å; H91-S94 VanDerWaalsContact O-N 3.1Å; H91-Y96 HydrophobicContact CB-CE2 4.08Å; H91-L132 HydrophobicContact CB-CB 4.12Å; H91-L132 HydrophobicContact CB-CD2 4.15Å
92	S	96	Very high	92.3	Very high	66 Å²	66	29.4 Å²	29.4	46%	0.462	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	48.7	179.9	-54.5	0	0	0	0	113.1	D33 T35 S94	D33-S92 VanDerWaalsContact CG-N 3.34Å; D33-S92 PolarHBondContact OD1-N 2.77Å; D33-S92 VanDerWaalsContact OD1-N 3.13Å; D33-S92 WeakPolarHBondContact OD2-CA 3.46Å; D33-S92 PolarHBondContact OD2-N 3.23Å; T35-S92 WeakPolarHBondContact OG1-CA 3.27Å; T35-S92 PolarHBondContact OG1-N 3.18Å; S92-S94 PolarHBondContact O-N 2.83Å; S92-S94 VanDerWaalsContact O-N 3.14Å
93	G	96.4	Very high	93	Very high	22 Å²	22	23.9 Å²	23.9	23%	0.227	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	1.3	179.1	0	0	0	0	0	115	D33 W69 H91	D33-G93 PolarHBondContact OD2-N 2.83Å; W69-G93 VanDerWaalsContact CH2-O 3.31Å; W69-G93 WeakPolarHBondContact CH2-O 3.37Å; H91-G93 VanDerWaalsContact C-N 3.32Å; H91-G93 PolarHBondContact O-N 2.85Å
94	S	97.5	Very high	94.3	Very high	11 Å²	11	16.1 Å²	16.1	8%	0.077	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	135.7	177.2	-60	0	0	0	0	110.9	V90 H91 S92 Y96 K107 Q108	V90-S94 WeakPolarHBondContact CA-O 3.47Å; V90-S94 VanDerWaalsContact CG1-O 3.27Å; V90-S94 WeakPolarHBondContact CG1-O 3.41Å; H91-S94 PolarHBondContact N-O 3.47Å; H91-S94 PolarHBondContact O-N 2.98Å; H91-S94 VanDerWaalsContact O-N 3.1Å; S92-S94 PolarHBondContact O-N 2.83Å; S92-S94 VanDerWaalsContact O-N 3.14Å; S94-Y96 WeakPolarHBondContact O-CD2 3.43Å; S94-K107 WeakPolarHBondContact OG-CE 3.1Å; S94-Q108 WeakPolarHBondContact CA-O 3.46Å
95	L	98.4	Very high	95.5	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	134.5	170	176	65.3	0	0	0	109.6	V57 W69 F88 V90 F97 K107 Q108	V57-L95 HydrophobicContact CB-CD1 4.42Å; V57-L95 HydrophobicContact CB-CD2 3.84Å; V57-L95 HydrophobicContact CG1-CD1 3.87Å; V57-L95 HydrophobicContact CG1-CD2 3.87Å; V57-L95 HydrophobicContact CG2-CD1 4.29Å; V57-L95 HydrophobicContact CG2-CD2 4.19Å; W69-L95 HydrophobicContact CB-CD2 3.69Å; W69-L95 HydrophobicContact CD2-CB 4.28Å; W69-L95 HydrophobicContact CD2-CD2 4.28Å; W69-L95 HydrophobicContact CE3-CB 3.48Å; W69-L95 VanDerWaalsContact CE3-CB 3.48Å; W69-L95 HydrophobicContact CE3-CD2 4.04Å; W69-L95 HydrophobicContact CE3-CG 4.39Å; W69-L95 HydrophobicContact CG-CD2 4.17Å; W69-L95 HydrophobicContact CZ3-CB 3.76Å; F88-L95 HydrophobicContact CB-CD1 4.05Å; F88-L95 HydrophobicContact CD2-CD1 3.49Å; F88-L95 VanDerWaalsContact CD2-CD1 3.49Å; F88-L95 HydrophobicContact CE2-CD1 4.33Å; F88-L95 HydrophobicContact CG-CD1 4.14Å; V90-L95 HydrophobicContact CG2-CD1 4.12Å; L95-F97 HydrophobicContact CD2-CD1 3.92Å; L95-F97 HydrophobicContact CG-CD1 4Å; L95-K107 CarbonylContact O-C 3.55Å; L95-K107 WeakPolarHBondContact O-CA 3.31Å; L95-Q108 HydrophobicContact CB-CB 4.37Å; L95-Q108 PolarHBondContact N-O 2.86Å; L95-Q108 PolarHBondContact O-N 2.97Å
96	Y	98.3	Very high	96.2	Very high	6 Å²	6	17.1 Å²	17.1	2%	0.024	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.7	170.4	-62	-96.7	0	0	0	108.4	F88 F89 H91 S94 Y106 K107 I118 I137 L158	F88-Y96 CarbonylContact C-O 3.6Å; F88-Y96 WeakPolarHBondContact CA-O 3.43Å; F88-Y96 VanDerWaalsContact CB-O 3.29Å; F88-Y96 WeakPolarHBondContact CB-O 3.39Å; F89-Y96 HydrophobicContact CD2-CD2 4.01Å; F89-Y96 HydrophobicContact CD2-CG 4.33Å; F89-Y96 HydrophobicContact CE1-CG 4.05Å; F89-Y96 HydrophobicContact CE2-CD1 4.37Å; F89-Y96 AromaticContact CE2-CD2 3.42Å; F89-Y96 HydrophobicContact CE2-CD2 3.42Å; F89-Y96 VanDerWaalsContact CE2-CD2 3.42Å; F89-Y96 HydrophobicContact CE2-CE2 4.13Å; F89-Y96 AromaticContact CE2-CG 3.58Å; F89-Y96 HydrophobicContact CE2-CG 3.58Å; F89-Y96 AromaticContact CZ-CD1 3.97Å; F89-Y96 HydrophobicContact CZ-CD1 3.97Å; F89-Y96 AromaticContact CZ-CD2 3.82Å; F89-Y96 HydrophobicContact CZ-CD2 3.82Å; F89-Y96 AromaticContact CZ-CG 3.42Å; F89-Y96 HydrophobicContact CZ-CG 3.42Å; F89-Y96 VanDerWaalsContact CZ-CG 3.42Å; F89-Y96 PolarHBondContact N-O 2.64Å; F89-Y96 PolarHBondContact O-N 3.08Å; F89-Y96 VanDerWaalsContact O-O 3.08Å; H91-Y96 HydrophobicContact CB-CE2 4.08Å; S94-Y96 WeakPolarHBondContact O-CD2 3.43Å; Y96-Y106 CarbonylContact C-O 3.53Å; Y96-Y106 VanDerWaalsContact CA-O 3.27Å; Y96-Y106 WeakPolarHBondContact CA-O 3.36Å; Y96-K107 HydrophobicContact CD1-CB 4.02Å; Y96-K107 HydrophobicContact CD1-CG 4.17Å; Y96-K107 HydrophobicContact CE1-CB 3.89Å; Y96-K107 HydrophobicContact CE1-CD 3.74Å; Y96-K107 HydrophobicContact CE1-CG 3.69Å; Y96-K107 WeakPolarHBondContact OH-CE 3.29Å; Y96-I118 HydrophobicContact CD1-CD1 3.79Å; Y96-I118 HydrophobicContact CE1-CD1 4.13Å; Y96-I137 HydrophobicContact CD1-CD1 3.84Å; Y96-I137 HydrophobicContact CE1-CD1 4.36Å; Y96-L158 HydrophobicContact CE1-CD2 3.94Å
97	F	98.2	Very high	96.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	155.8	-173.9	70	-93.6	0	0	0	112.8	Y74 V76 S87 F88 L95 F105 Y106 Q108 P115	Y74-F97 HydrophobicContact CD1-CE2 4.01Å; Y74-F97 HydrophobicContact CD1-CZ 4.04Å; Y74-F97 HydrophobicContact CG-CE2 4.41Å; Y74-F97 HydrophobicContact CG-CZ 4.25Å; V76-F97 HydrophobicContact CB-CD2 4.48Å; V76-F97 HydrophobicContact CG1-CB 3.9Å; V76-F97 HydrophobicContact CG2-CB 3.96Å; V76-F97 HydrophobicContact CG2-CD2 3.61Å; V76-F97 HydrophobicContact CG2-CE2 4.19Å; V76-F97 HydrophobicContact CG2-CG 3.79Å; S87-F97 CarbonylContact O-C 3.55Å; S87-F97 VanDerWaalsContact O-CA 3.31Å; S87-F97 WeakPolarHBondContact O-CA 3.29Å; F88-F97 HydrophobicContact CB-CB 3.83Å; L95-F97 HydrophobicContact CD2-CD1 3.92Å; L95-F97 HydrophobicContact CG-CD1 4Å; F97-F105 CarbonylContact O-C 3.54Å; F97-F105 WeakPolarHBondContact O-CA 3.41Å; F97-Y106 HydrophobicContact CE2-CD2 4.2Å; F97-Y106 HydrophobicContact CE2-CG 4.19Å; F97-Y106 HydrophobicContact CZ-CG 4.09Å; F97-Y106 PolarHBondContact N-O 3Å; F97-Y106 PolarHBondContact O-N 3.1Å; F97-Q108 HydrophobicContact CE1-CB 4.36Å; F97-P115 HydrophobicContact CE1-CB 3.79Å; F97-P115 HydrophobicContact CE1-CG 3.83Å; F97-P115 HydrophobicContact CZ-CB 3.65Å; F97-P115 HydrophobicContact CZ-CG 3.64Å
98	V	96.9	Very high	96.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	125.1	171.4	-179.6	0	0	0	0	109.5	R77 S87 H104 F105	R77-V98 PolarHBondContact N-O 3.43Å; S87-V98 PolarHBondContact O-N 3.37Å; V98-H104 VanDerWaalsContact CA-O 3.32Å; V98-H104 WeakPolarHBondContact CA-O 3.16Å; V98-F105 HydrophobicContact CG2-CD1 3.72Å; V98-F105 HydrophobicContact CG2-CD2 4.31Å; V98-F105 HydrophobicContact CG2-CE1 3.49Å; V98-F105 VanDerWaalsContact CG2-CE1 3.49Å; V98-F105 HydrophobicContact CG2-CE2 4.13Å; V98-F105 HydrophobicContact CG2-CG 4.12Å; V98-F105 HydrophobicContact CG2-CZ 3.71Å
99	S	96.2	Very high	96.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-83.1	130.1	175.1	-177	0	0	0	0	111	S101 D102 N103 H104	S99-S101 PolarHBondContact O-N 2.77Å; S99-S101 PolarHBondContact OG-N 3.5Å; S99-S101 PolarHBondContact OG-OG 3.27Å; S99-D102 WeakPolarHBondContact CB-OD1 3.41Å; S99-D102 PolarHBondContact O-N 3.24Å; S99-N103 VanDerWaalsContact O-CA 3.3Å; S99-N103 WeakPolarHBondContact O-CA 3.18Å; S99-N103 PolarHBondContact O-N 2.84Å; S99-H104 PolarHBondContact N-O 2.88Å
100	A	94.2	Very high	96.6	Very high	29 Å²	29	23.3 Å²	23.3	24%	0.24	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.2	178	0	0	0	0	0	113.4	S75 R77	S75-A100 WeakPolarHBondContact O-CB 3.13Å; S75-A100 PolarHBondContact O-N 3.31Å; R77-A100 HydrophobicContact CB-CB 4.01Å
101	S	93.3	Very high	96.5	Very high	64 Å²	64	26.6 Å²	26.6	45%	0.448	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-26.8	-175	59.2	0	0	0	0	113	S99 R123	S99-S101 PolarHBondContact O-N 2.77Å; S99-S101 PolarHBondContact OG-N 3.5Å; S99-S101 PolarHBondContact OG-OG 3.27Å; S101-R123 PolarHBondContact O-NH1 3.35Å; S101-R123 PolarHBondContact O-NH2 3.01Å
102	D	94.2	Very high	96.5	Very high	24 Å²	24	30.4 Å²	30.4	13%	0.128	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.2	-6.6	-172.9	60.4	13.9	0	0	0	114.5	S99 H104 Y106	S99-D102 WeakPolarHBondContact CB-OD1 3.41Å; S99-D102 PolarHBondContact O-N 3.24Å; D102-H104 PolarHBondContact O-CD2 3.49Å; D102-H104 VanDerWaalsContact O-CD2 3.25Å; D102-H104 PolarHBondContact O-N 2.93Å; D102-H104 IonicContact OD1-CD2 3.72Å; D102-H104 PolarHBondContact OD1-N 3.2Å; D102-Y106 PolarHBondContact OD2-OH 2.85Å
103	N	93.7	Very high	96.5	Very high	20 Å²	20	32 Å²	32	11%	0.107	18%	0.183	C	C	.	.			trans	64.5	17	-173.6	-56.7	-50.2	0	0	0	114.4	S79 S99 R123 S125 R126 Y127	S79-N103 PolarHBondContact OG-OD1 2.97Å; S99-N103 VanDerWaalsContact O-CA 3.3Å; S99-N103 WeakPolarHBondContact O-CA 3.18Å; S99-N103 PolarHBondContact O-N 2.84Å; N103-R123 PolarHBondContact ND2-O 2.83Å; N103-S125 WeakPolarHBondContact CB-O 3.23Å; N103-R126 HydrophobicContact CB-CG 4.39Å; N103-Y127 WeakPolarHBondContact O-CD2 3.13Å
104	H	95.4	Very high	96.6	Very high	25 Å²	25	37.3 Å²	37.3	12%	0.116	21%	0.205	C	C	.	.			trans	-86.4	151.5	177.8	-75.8	-110.4	0	0	0	112.4	V98 S99 D102 Y106 T119 S121	V98-H104 VanDerWaalsContact CA-O 3.32Å; V98-H104 WeakPolarHBondContact CA-O 3.16Å; S99-H104 PolarHBondContact N-O 2.88Å; D102-H104 PolarHBondContact O-CD2 3.49Å; D102-H104 VanDerWaalsContact O-CD2 3.25Å; D102-H104 PolarHBondContact O-N 2.93Å; D102-H104 IonicContact OD1-CD2 3.72Å; D102-H104 PolarHBondContact OD1-N 3.2Å; H104-Y106 HydrophobicContact CB-CD2 4.32Å; H104-Y106 HydrophobicContact CB-CE2 3.77Å; H104-Y106 WeakPolarHBondContact O-CD2 3.32Å; H104-T119 VanDerWaalsContact CA-OG1 3.27Å; H104-T119 WeakPolarHBondContact CA-OG1 3.41Å; H104-T119 WeakPolarHBondContact CB-OG1 3.45Å; H104-T119 PolarHBondContact CE1-O 3.48Å; H104-T119 VanDerWaalsContact CG-OG1 3.28Å; H104-T119 PolarHBondContact ND1-O 2.92Å; H104-T119 PolarHBondContact ND1-OG1 3.49Å; H104-S121 PolarHBondContact CE1-O 2.93Å; H104-S121 PolarHBondContact NE2-O 2.7Å
105	F	96.3	Very high	96.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	134.4	163.2	-92.5	-66.2	0	0	0	110.4	F89 F97 V98 I118 T119 Y127 I137 C139 I156	F89-F105 HydrophobicContact CD1-CE1 4.41Å; F89-F105 AromaticContact CE1-CE1 3.95Å; F89-F105 HydrophobicContact CE1-CE1 3.95Å; F89-F105 HydrophobicContact CE1-CZ 4.41Å; F97-F105 CarbonylContact O-C 3.54Å; F97-F105 WeakPolarHBondContact O-CA 3.41Å; V98-F105 HydrophobicContact CG2-CD1 3.72Å; V98-F105 HydrophobicContact CG2-CD2 4.31Å; V98-F105 HydrophobicContact CG2-CE1 3.49Å; V98-F105 VanDerWaalsContact CG2-CE1 3.49Å; V98-F105 HydrophobicContact CG2-CE2 4.13Å; V98-F105 HydrophobicContact CG2-CG 4.12Å; V98-F105 HydrophobicContact CG2-CZ 3.71Å; F105-I118 HydrophobicContact CB-CB 4.39Å; F105-I118 HydrophobicContact CB-CD1 4.37Å; F105-I118 WeakPolarHBondContact O-CB 3.42Å; F105-I118 PolarHBondContact O-N 3.27Å; F105-T119 HydrophobicContact CB-CG2 4.11Å; F105-T119 HydrophobicContact CD2-CG2 4.4Å; F105-T119 PolarHBondContact N-OG1 3.17Å; F105-Y127 HydrophobicContact CD2-CD1 4.23Å; F105-Y127 AromaticContact CD2-CG 3.96Å; F105-Y127 HydrophobicContact CD2-CG 3.96Å; F105-Y127 HydrophobicContact CE2-CD1 4.18Å; F105-Y127 AromaticContact CE2-CG 3.96Å; F105-Y127 HydrophobicContact CE2-CG 3.96Å; F105-I137 HydrophobicContact CE2-CG2 4.2Å; F105-I137 HydrophobicContact CG-CD1 4.46Å; F105-I137 HydrophobicContact CZ-CG2 4.33Å; F105-C139 HydrophobicContact CE2-CB 3.82Å; F105-C139 HydrophobicContact CZ-CB 4.16Å; F105-I156 HydrophobicContact CD2-CD1 3.72Å; F105-I156 HydrophobicContact CE2-CD1 4.16Å
106	Y	97.5	Very high	96.6	Very high	24 Å²	24	42 Å²	42	9%	0.094	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	147.2	172.8	-73.8	-98.3	0	0	0	110.1	Y74 Y96 F97 D102 H104 P115 V116 C117	Y74-Y106 AromaticContact CE1-CD1 3.87Å; Y74-Y106 HydrophobicContact CE1-CD1 3.87Å; Y74-Y106 HydrophobicContact CE1-CD2 4.46Å; Y74-Y106 AromaticContact CE1-CE1 3.57Å; Y74-Y106 HydrophobicContact CE1-CE1 3.57Å; Y74-Y106 HydrophobicContact CE1-CE2 4.2Å; Y74-Y106 HydrophobicContact CE1-CG 4.32Å; Y74-Y106 AromaticContact CE1-CZ 3.76Å; Y96-Y106 CarbonylContact C-O 3.53Å; Y96-Y106 VanDerWaalsContact CA-O 3.27Å; Y96-Y106 WeakPolarHBondContact CA-O 3.36Å; F97-Y106 HydrophobicContact CE2-CD2 4.2Å; F97-Y106 HydrophobicContact CE2-CG 4.19Å; F97-Y106 HydrophobicContact CZ-CG 4.09Å; F97-Y106 PolarHBondContact N-O 3Å; F97-Y106 PolarHBondContact O-N 3.1Å; D102-Y106 PolarHBondContact OD2-OH 2.85Å; H104-Y106 HydrophobicContact CB-CD2 4.32Å; H104-Y106 HydrophobicContact CB-CE2 3.77Å; H104-Y106 WeakPolarHBondContact O-CD2 3.32Å; Y106-P115 HydrophobicContact CD1-CB 3.8Å; Y106-P115 HydrophobicContact CG-CB 4.22Å; Y106-V116 CarbonylContact C-O 3.56Å; Y106-V116 VanDerWaalsContact CA-O 3.31Å; Y106-V116 WeakPolarHBondContact CA-O 3.17Å; Y106-C117 HydrophobicContact CD1-CB 3.99Å; Y106-C117 HydrophobicContact CE1-CB 3.53Å
107	K	97.7	Very high	96.5	Very high	65 Å²	65	44.3 Å²	44.3	28%	0.283	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.6	167.7	178.8	-179.1	177.4	-179.8	0	109.4	S94 L95 Y96 P115 V116 I118	S94-K107 WeakPolarHBondContact OG-CE 3.1Å; L95-K107 CarbonylContact O-C 3.55Å; L95-K107 WeakPolarHBondContact O-CA 3.31Å; Y96-K107 HydrophobicContact CD1-CB 4.02Å; Y96-K107 HydrophobicContact CD1-CG 4.17Å; Y96-K107 HydrophobicContact CE1-CB 3.89Å; Y96-K107 HydrophobicContact CE1-CD 3.74Å; Y96-K107 HydrophobicContact CE1-CG 3.69Å; Y96-K107 WeakPolarHBondContact OH-CE 3.29Å; K107-P115 CarbonylContact O-C 3.58Å; K107-P115 WeakPolarHBondContact O-CA 3.3Å; K107-V116 PolarHBondContact N-O 3.22Å; K107-V116 PolarHBondContact O-N 3.12Å; K107-I118 HydrophobicContact CB-CD1 3.77Å; K107-I118 HydrophobicContact CB-CG1 4.14Å
108	Q	98.2	Very high	96.5	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	112.3	170.7	-173.6	178.7	8.6	0	0	108.9	W69 S94 L95 F97 A110 H111 Q113 P115	W69-Q108 HydrophobicContact CE3-CG 4.35Å; W69-Q108 PolarHBondContact O-NE2 2.69Å; W69-Q108 PolarHBondContact O-OE1 2.86Å; W69-Q108 VanDerWaalsContact O-OE1 3.09Å; S94-Q108 WeakPolarHBondContact CA-O 3.46Å; L95-Q108 HydrophobicContact CB-CB 4.37Å; L95-Q108 PolarHBondContact N-O 2.86Å; L95-Q108 PolarHBondContact O-N 2.97Å; F97-Q108 HydrophobicContact CE1-CB 4.36Å; Q108-A110 VanDerWaalsContact C-N 3.33Å; Q108-A110 VanDerWaalsContact CG-O 3.28Å; Q108-A110 WeakPolarHBondContact CG-O 3.28Å; Q108-A110 PolarHBondContact NE2-O 3.12Å; Q108-A110 PolarHBondContact O-N 3.18Å; Q108-H111 PolarHBondContact NE2-O 2.8Å; Q108-Q113 VanDerWaalsContact CG-O 3.32Å; Q108-Q113 WeakPolarHBondContact CG-O 3.46Å; Q108-Q113 PolarHBondContact NE2-O 3.19Å; Q108-P115 HydrophobicContact CB-CB 4.44Å; Q108-P115 HydrophobicContact CB-CG 4.4Å; Q108-P115 HydrophobicContact CG-CG 4.43Å
109	S	97.4	Very high	96.4	Very high	57 Å²	57	45.2 Å²	45.2	40%	0.399	25%	0.254	S	S	.	.	S	Bend	trans	-79.5	-15	-170.8	-43.6	0	0	0	0	113.8
110	A	97	Very high	96.1	Very high	26 Å²	26	53 Å²	53	22%	0.215	29%	0.288	C	S	.	.	S	Bend	trans	-158	154.5	171.3	0	0	0	0	0	110.2	Q108 N112 Q113	Q108-A110 VanDerWaalsContact C-N 3.33Å; Q108-A110 VanDerWaalsContact CG-O 3.28Å; Q108-A110 WeakPolarHBondContact CG-O 3.28Å; Q108-A110 PolarHBondContact NE2-O 3.12Å; Q108-A110 PolarHBondContact O-N 3.18Å; A110-N112 WeakPolarHBondContact CB-OD1 3.37Å; A110-N112 PolarHBondContact O-N 2.81Å; A110-Q113 HydrophobicContact CB-CG 4.15Å; A110-Q113 PolarHBondContact O-N 3.19Å
111	H	97	Very high	95.5	Very high	75 Å²	75	53.1 Å²	53.1	35%	0.347	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-28.4	-177.5	73.8	-79	0	0	0	114.6	L67 W69 Q108	L67-H111 HydrophobicContact CB-CB 4.5Å; W69-H111 HydrophobicContact CD2-CB 3.79Å; W69-H111 HydrophobicContact CE3-CB 4.32Å; W69-H111 HydrophobicContact CG-CB 3.95Å; W69-H111 HydrophobicContact CZ2-CB 4.23Å; Q108-H111 PolarHBondContact NE2-O 2.8Å
112	N	95.9	Very high	95.1	Very high	125 Å²	125	53.5 Å²	53.5	67%	0.668	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	5.1	-179.5	67	-21.1	0	0	0	114	A110	A110-N112 WeakPolarHBondContact CB-OD1 3.37Å; A110-N112 PolarHBondContact O-N 2.81Å
113	Q	97.7	Very high	94.4	Very high	100 Å²	100	59.7 Å²	59.7	47%	0.467	31%	0.306	S	S	.	.	S	Bend	trans	-101	151.5	176.3	-71.5	-171.4	-17.5	0	0	111.3	Q108 A110	Q108-Q113 VanDerWaalsContact CG-O 3.32Å; Q108-Q113 WeakPolarHBondContact CG-O 3.46Å; Q108-Q113 PolarHBondContact NE2-O 3.19Å; A110-Q113 HydrophobicContact CB-CG 4.15Å; A110-Q113 PolarHBondContact O-N 3.19Å
114	L	97.8	Very high	94.2	Very high	132 Å²	132	65.1 Å²	65.1	69%	0.691	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-71.1	141.3	174.9	-69.5	174.5	0	0	0	111.3
115	P	98.2	Very high	94.2	Very high	10 Å²	10	64.3 Å²	64.3	7%	0.065	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-63.4	142.1	172.4	-21	31.9	0	0	0	112.6	P71 Y74 F97 Y106 K107 Q108	P71-P115 HydrophobicContact CG-CG 4.15Å; Y74-P115 HydrophobicContact CD2-CG 4.01Å; Y74-P115 HydrophobicContact CE1-CB 4.43Å; Y74-P115 HydrophobicContact CE2-CB 4.4Å; Y74-P115 HydrophobicContact CE2-CG 3.88Å; Y74-P115 HydrophobicContact CG-CG 4.4Å; F97-P115 HydrophobicContact CE1-CB 3.79Å; F97-P115 HydrophobicContact CE1-CG 3.83Å; F97-P115 HydrophobicContact CZ-CB 3.65Å; F97-P115 HydrophobicContact CZ-CG 3.64Å; Y106-P115 HydrophobicContact CD1-CB 3.8Å; Y106-P115 HydrophobicContact CG-CB 4.22Å; K107-P115 CarbonylContact O-C 3.58Å; K107-P115 WeakPolarHBondContact O-CA 3.3Å; Q108-P115 HydrophobicContact CB-CB 4.44Å; Q108-P115 HydrophobicContact CB-CG 4.4Å; Q108-P115 HydrophobicContact CG-CG 4.43Å
116	V	97.4	Very high	94	Very high	99 Å²	99	66.3 Å²	66.3	60%	0.6	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.3	175.4	-178.4	0	0	0	0	109.2	Y106 K107	Y106-V116 CarbonylContact C-O 3.56Å; Y106-V116 VanDerWaalsContact CA-O 3.31Å; Y106-V116 WeakPolarHBondContact CA-O 3.17Å; K107-V116 PolarHBondContact N-O 3.22Å; K107-V116 PolarHBondContact O-N 3.12Å
117	C	96.8	Very high	93.9	Very high	56 Å²	56	65.2 Å²	65.2	38%	0.378	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	136	178.7	-170.2	0	0	0	0	111.1	Y106 T119	Y106-C117 HydrophobicContact CD1-CB 3.99Å; Y106-C117 HydrophobicContact CE1-CB 3.53Å; C117-T119 PolarHBondContact SG-O 3.48Å; C117-T119 VanDerWaalsContact SG-O 3.34Å
118	I	96.7	Very high	93.8	Very high	15 Å²	15	62.1 Å²	62.1	8%	0.077	31%	0.312	C	S	.	.			trans	-105.5	-50.8	-177.5	-54.4	173.6	0	0	0	110.6	Y96 F105 K107 I137 I156 L158 G161	Y96-I118 HydrophobicContact CD1-CD1 3.79Å; Y96-I118 HydrophobicContact CE1-CD1 4.13Å; F105-I118 HydrophobicContact CB-CB 4.39Å; F105-I118 HydrophobicContact CB-CD1 4.37Å; F105-I118 WeakPolarHBondContact O-CB 3.42Å; F105-I118 PolarHBondContact O-N 3.27Å; K107-I118 HydrophobicContact CB-CD1 3.77Å; K107-I118 HydrophobicContact CB-CG1 4.14Å; I118-I137 HydrophobicContact CD1-CD1 3.54Å; I118-I137 HydrophobicContact CG2-CD1 4.42Å; I118-I156 HydrophobicContact CG2-CG2 4.03Å; I118-L158 HydrophobicContact CD1-CD2 4.08Å; I118-L158 HydrophobicContact CG2-CD2 4.24Å; I118-G161 WeakPolarHBondContact O-CA 3.21Å
119	T	95	Very high	93.6	Very high	3 Å²	3	64 Å²	64	2%	0.018	32%	0.322	C	S	.	.			trans	-77.1	148.7	-176.6	44.9	0	0	0	0	111	H104 F105 C117 Y127 I156	H104-T119 VanDerWaalsContact CA-OG1 3.27Å; H104-T119 WeakPolarHBondContact CA-OG1 3.41Å; H104-T119 WeakPolarHBondContact CB-OG1 3.45Å; H104-T119 PolarHBondContact CE1-O 3.48Å; H104-T119 VanDerWaalsContact CG-OG1 3.28Å; H104-T119 PolarHBondContact ND1-O 2.92Å; H104-T119 PolarHBondContact ND1-OG1 3.49Å; F105-T119 HydrophobicContact CB-CG2 4.11Å; F105-T119 HydrophobicContact CD2-CG2 4.4Å; F105-T119 PolarHBondContact N-OG1 3.17Å; C117-T119 PolarHBondContact SG-O 3.48Å; C117-T119 VanDerWaalsContact SG-O 3.34Å; T119-Y127 HydrophobicContact CG2-CE1 4.25Å; T119-Y127 HydrophobicContact CG2-CE2 4.29Å; T119-I156 HydrophobicContact CG2-CD1 3.57Å; T119-I156 HydrophobicContact CG2-CG1 4.21Å; T119-I156 HydrophobicContact CG2-CG2 3.97Å
120	K	90.1	Very high	93.5	Very high	164 Å²	164	61.9 Å²	61.9	71%	0.713	31%	0.309	S	S	*	.			trans	-118.4	7.7	177.4	-66	176.9	178.8	165.7	0	113.2	S160	K120-S160 WeakPolarHBondContact CE-O 3.31Å; K120-S160 PolarHBondContact NZ-O 2.57Å
121	S	82.2	Confident	93.4	Very high	32 Å²	32	65.8 Å²	65.8	22%	0.224	32%	0.321	C	S	.	.			trans	-70.6	169.4	-173.9	-63.6	0	0	0	0	112.5	H104 Y127 E163	H104-S121 PolarHBondContact CE1-O 2.93Å; H104-S121 PolarHBondContact NE2-O 2.7Å; S121-Y127 WeakPolarHBondContact CB-OH 3.36Å; S121-Y127 PolarHBondContact OG-OH 2.67Å; S121-Y127 VanDerWaalsContact OG-OH 3.07Å; S121-E163 VanDerWaalsContact OG-CD 3.22Å; S121-E163 PolarHBondContact OG-OE1 3.05Å
122	D	84	Confident	93.4	Very high	71 Å²	71	63.6 Å²	63.6	38%	0.38	31%	0.312	S	S	.	.			trans	-72.7	163.9	175.2	77.7	28.7	0	0	0	111.2	R124 S125	D122-R124 PolarHBondContact O-N 2.85Å; D122-R124 VanDerWaalsContact O-N 3.13Å; D122-R124 VanDerWaalsContact OD1-CA 3.27Å; D122-R124 WeakPolarHBondContact OD1-CA 3.37Å; D122-R124 WeakPolarHBondContact OD1-CB 3.2Å; D122-R124 PolarHBondContact OD1-N 3.21Å; D122-R124 IonicContact OD1-NE 3.61Å; D122-R124 IonicContact OD2-CZ 3.63Å; D122-R124 VanDerWaalsContact OD2-CZ 3.29Å; D122-R124 IonicContact OD2-NE 3.49Å; D122-R124 PolarHBondContact OD2-NE 3.1Å; D122-R124 IonicContact OD2-NH2 3.82Å; D122-R124 PolarHBondContact OD2-NH2 3.32Å; D122-S125 PolarHBondContact O-N 3.09Å; D122-S125 VanDerWaalsContact O-N 3.14Å; D122-S125 PolarHBondContact OD1-N 2.86Å
123	R	80.5	Confident	93.4	Very high	155 Å²	155	59.3 Å²	59.3	59%	0.585	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-9.9	-179.1	-66.2	178	63.4	98.5	5.3	114.1	S101 N103 S125	S101-R123 PolarHBondContact O-NH1 3.35Å; S101-R123 PolarHBondContact O-NH2 3.01Å; N103-R123 PolarHBondContact ND2-O 2.83Å; R123-S125 VanDerWaalsContact C-N 3.34Å
124	R	90.2	Very high	93.1	Very high	134 Å²	134	61.3 Å²	61.3	51%	0.506	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-21.6	176.7	-54.9	178.2	-74.3	-167.6	-4.8	111.1	D122 H144	D122-R124 PolarHBondContact O-N 2.85Å; D122-R124 VanDerWaalsContact O-N 3.13Å; D122-R124 VanDerWaalsContact OD1-CA 3.27Å; D122-R124 WeakPolarHBondContact OD1-CA 3.37Å; D122-R124 WeakPolarHBondContact OD1-CB 3.2Å; D122-R124 PolarHBondContact OD1-N 3.21Å; D122-R124 IonicContact OD1-NE 3.61Å; D122-R124 IonicContact OD2-CZ 3.63Å; D122-R124 VanDerWaalsContact OD2-CZ 3.29Å; D122-R124 IonicContact OD2-NE 3.49Å; D122-R124 PolarHBondContact OD2-NE 3.1Å; D122-R124 IonicContact OD2-NH2 3.82Å; D122-R124 PolarHBondContact OD2-NH2 3.32Å; R124-H144 HydrophobicContact CB-CB 4.16Å; R124-H144 WeakPolarHBondContact CB-O 3.48Å; R124-H144 WeakPolarHBondContact CD-O 3.35Å; R124-H144 PolarHBondContact O-CD2 3.06Å; R124-H144 PolarHBondContact O-N 2.72Å; R124-H144 VanDerWaalsContact O-N 3.14Å
125	S	93.5	Very high	92.8	Very high	8 Å²	8	61.2 Å²	61.2	6%	0.056	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	130.2	166.2	-65.4	0	0	0	0	110.6	N103 D122 R123 Y127 E142 D143	N103-S125 WeakPolarHBondContact CB-O 3.23Å; D122-S125 PolarHBondContact O-N 3.09Å; D122-S125 VanDerWaalsContact O-N 3.14Å; D122-S125 PolarHBondContact OD1-N 2.86Å; R123-S125 VanDerWaalsContact C-N 3.34Å; S125-Y127 WeakPolarHBondContact CB-OH 3.23Å; S125-E142 CarbonylContact C-O 3.48Å; S125-E142 VanDerWaalsContact CA-O 3.26Å; S125-E142 WeakPolarHBondContact CA-O 3.44Å; S125-D143 PolarHBondContact OG-OD1 3.24Å
126	R	93.8	Very high	92.7	Very high	41 Å²	41	60.8 Å²	60.8	16%	0.155	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	142.1	175.3	-55.8	172	179.1	-172	-0.3	109.4	S79 V80 E82 N103 R141 E142 H144	S79-R126 PolarHBondContact O-NH1 2.91Å; S79-R126 WeakPolarHBondContact OG-CD 3.47Å; S79-R126 WeakPolarHBondContact OG-CG 3.26Å; V80-R126 HydrophobicContact CG2-CB 3.82Å; E82-R126 IonicContact OE1-CZ 2.91Å; E82-R126 VanDerWaalsContact OE1-CZ 3.32Å; E82-R126 IonicContact OE1-NH1 3.36Å; E82-R126 PolarHBondContact OE1-NH1 3.03Å; E82-R126 IonicContact OE1-NH2 3.73Å; E82-R126 PolarHBondContact OE1-NH2 3.48Å; E82-R126 VanDerWaalsContact OE1-NH2 3.08Å; N103-R126 HydrophobicContact CB-CG 4.39Å; R126-R141 CarbonylContact O-C 3.52Å; R126-R141 WeakPolarHBondContact O-CA 3.48Å; R126-E142 HydrophobicContact CB-CB 4.29Å; R126-E142 PolarHBondContact N-O 3.41Å; R126-E142 IonicContact NH1-OE2 3.37Å; R126-E142 PolarHBondContact O-N 3.43Å; R126-H144 WeakPolarHBondContact CD-NE2 3.46Å; R126-H144 PolarHBondContact NE-NE2 2.96Å; R126-H144 PolarHBondContact NH1-CE1 3.03Å
127	Y	94.9	Very high	92.7	Very high	2 Å²	2	56 Å²	56	1%	0.008	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	150.3	-172.6	-52.3	-97.7	0	0	0	112.3	S78 N103 F105 T119 S121 S125 V140 R141 V154 I156 E163	S78-Y127 VanDerWaalsContact CB-O 3.28Å; S78-Y127 WeakPolarHBondContact CB-O 3.27Å; S78-Y127 PolarHBondContact OG-O 2.82Å; N103-Y127 WeakPolarHBondContact O-CD2 3.13Å; F105-Y127 HydrophobicContact CD2-CD1 4.23Å; F105-Y127 AromaticContact CD2-CG 3.96Å; F105-Y127 HydrophobicContact CD2-CG 3.96Å; F105-Y127 HydrophobicContact CE2-CD1 4.18Å; F105-Y127 AromaticContact CE2-CG 3.96Å; F105-Y127 HydrophobicContact CE2-CG 3.96Å; T119-Y127 HydrophobicContact CG2-CE1 4.25Å; T119-Y127 HydrophobicContact CG2-CE2 4.29Å; S121-Y127 WeakPolarHBondContact CB-OH 3.36Å; S121-Y127 PolarHBondContact OG-OH 2.67Å; S121-Y127 VanDerWaalsContact OG-OH 3.07Å; S125-Y127 WeakPolarHBondContact CB-OH 3.23Å; Y127-V140 VanDerWaalsContact CA-O 3.3Å; Y127-V140 WeakPolarHBondContact CA-O 3.2Å; Y127-R141 HydrophobicContact CD1-CB 3.96Å; Y127-R141 HydrophobicContact CD1-CG 3.84Å; Y127-R141 HydrophobicContact CE1-CB 4.05Å; Y127-R141 VanDerWaalsContact CE1-CD 3.41Å; Y127-R141 HydrophobicContact CE1-CG 3.57Å; Y127-V154 HydrophobicContact CE1-CG2 4.41Å; Y127-I156 HydrophobicContact CD1-CD1 3.96Å; Y127-I156 HydrophobicContact CE1-CD1 3.89Å; Y127-E163 VanDerWaalsContact OH-CD 3.3Å; Y127-E163 PolarHBondContact OH-OE1 3.29Å; Y127-E163 PolarHBondContact OH-OE2 3.41Å
128	A	95	Very high	92.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	168.7	173.1	0	0	0	0	0	110.7	V80 G86 G130 C139 V140 T174	V80-A128 HydrophobicContact CB-CB 3.86Å; V80-A128 HydrophobicContact CG1-CB 4.25Å; V80-A128 HydrophobicContact CG2-CB 3.8Å; G86-A128 CarbonylContact O-C 3.59Å; G86-A128 WeakPolarHBondContact O-CA 3.36Å; A128-G130 VanDerWaalsContact C-N 3.33Å; A128-G130 PolarHBondContact O-N 2.8Å; A128-C139 WeakPolarHBondContact O-CB 3.26Å; A128-V140 PolarHBondContact N-O 3.42Å; A128-V140 PolarHBondContact O-N 2.98Å; A128-T174 HydrophobicContact CB-CG2 3.8Å
129	D	94.4	Very high	92.6	Very high	40 Å²	40	54.7 Å²	54.7	21%	0.214	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	53.6	47.9	170.9	-69.2	-37.7	0	0	0	113	G86 V140 T174 L175	G86-D129 WeakPolarHBondContact CA-OD1 3.31Å; G86-D129 PolarHBondContact O-N 2.84Å; D129-V140 HydrophobicContact CB-CG2 4.4Å; D129-T174 WeakPolarHBondContact OD2-CA 3.32Å; D129-T174 WeakPolarHBondContact OD2-CB 3.34Å; D129-T174 WeakPolarHBondContact OD2-CG2 3.37Å; D129-L175 PolarHBondContact OD2-N 3.26Å
130	G	95.7	Very high	92.6	Very high	11 Å²	11	55.1 Å²	55.1	11%	0.113	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	143.4	176.4	0	0	0	0	0	113.1	F89 A128 Y138	F89-G130 WeakPolarHBondContact CB-O 3.34Å; F89-G130 WeakPolarHBondContact CD1-O 3.47Å; F89-G130 WeakPolarHBondContact CG-O 3.34Å; A128-G130 VanDerWaalsContact C-N 3.33Å; A128-G130 PolarHBondContact O-N 2.8Å; G130-Y138 CarbonylContact C-O 3.49Å; G130-Y138 VanDerWaalsContact CA-O 3.29Å; G130-Y138 WeakPolarHBondContact CA-O 3.49Å
131	F	95.7	Very high	92.7	Very high	108 Å²	108	48.5 Å²	48.5	47%	0.474	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	150	163.6	77.3	-92.6	0	0	0	110.4	A133 I137 Y138	F131-A133 HydrophobicContact CD2-CB 4.09Å; F131-A133 HydrophobicContact CE2-CB 3.65Å; F131-I137 CarbonylContact O-C 3.54Å; F131-I137 WeakPolarHBondContact O-CA 3.15Å; F131-Y138 WeakPolarHBondContact CD1-O 3.06Å; F131-Y138 HydrophobicContact CE1-CD1 4.45Å; F131-Y138 AromaticContact CE1-CG 3.9Å; F131-Y138 HydrophobicContact CE1-CG 3.9Å; F131-Y138 AromaticContact CE2-CD2 3.91Å; F131-Y138 HydrophobicContact CE2-CD2 3.91Å; F131-Y138 AromaticContact CE2-CG 3.9Å; F131-Y138 HydrophobicContact CE2-CG 3.9Å; F131-Y138 AromaticContact CZ-CD1 3.95Å; F131-Y138 HydrophobicContact CZ-CD1 3.95Å; F131-Y138 AromaticContact CZ-CD2 3.98Å; F131-Y138 HydrophobicContact CZ-CD2 3.98Å; F131-Y138 AromaticContact CZ-CG 3.48Å; F131-Y138 HydrophobicContact CZ-CG 3.48Å; F131-Y138 VanDerWaalsContact CZ-CG 3.48Å; F131-Y138 PolarHBondContact N-O 2.88Å; F131-Y138 PolarHBondContact O-N 2.95Å
132	L	96.7	Very high	93.2	Very high	30 Å²	30	47.3 Å²	47.3	16%	0.157	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	128.3	179	-165.3	73.2	0	0	0	111.2	F89 H91 G136 I137 L158	F89-L132 HydrophobicContact CE2-CB 3.99Å; H91-L132 HydrophobicContact CB-CB 4.12Å; H91-L132 HydrophobicContact CB-CD2 4.15Å; L132-G136 WeakPolarHBondContact CD1-O 3.43Å; L132-I137 HydrophobicContact CD1-CG1 4.01Å; L132-L158 HydrophobicContact CD1-CD1 3.51Å; L132-L158 HydrophobicContact CD1-CD2 4.14Å; L132-L158 HydrophobicContact CD1-CG 3.92Å; L132-L158 HydrophobicContact CD2-CD1 4.36Å
133	A	94.8	Very high	93.5	Very high	34 Å²	34	45.8 Å²	45.8	28%	0.281	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	151.4	168.8	0	0	0	0	0	110.3	F131 N135 G136 Y138	F131-A133 HydrophobicContact CD2-CB 4.09Å; F131-A133 HydrophobicContact CE2-CB 3.65Å; A133-N135 PolarHBondContact O-N 3.04Å; A133-G136 PolarHBondContact N-O 2.81Å; A133-G136 PolarHBondContact O-N 3.1Å; A133-Y138 HydrophobicContact CB-CD2 4.09Å; A133-Y138 HydrophobicContact CB-CE2 3.91Å; A133-Y138 WeakPolarHBondContact O-CE2 3.47Å
134	L	92.9	Very high	94	Very high	142 Å²	142	40.4 Å²	40.4	74%	0.743	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.3	44.3	173.3	-55.6	176.9	0	0	0	113.6	G136 R155	L134-G136 PolarHBondContact O-N 2.91Å; L134-R155 PolarHBondContact O-NH2 3.48Å
135	N	90.2	Very high	93.8	Very high	131 Å²	131	38.6 Å²	38.6	70%	0.701	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	26.3	-176.6	-63.9	-24.7	0	0	0	115.6	A133 L158	A133-N135 PolarHBondContact O-N 3.04Å; N135-L158 PolarHBondContact O-N 3.15Å
136	G	96.3	Very high	93.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	154.4	174	0	0	0	0	0	112.5	L132 A133 L134 I156	L132-G136 WeakPolarHBondContact CD1-O 3.43Å; A133-G136 PolarHBondContact N-O 2.81Å; A133-G136 PolarHBondContact O-N 3.1Å; L134-G136 PolarHBondContact O-N 2.91Å; G136-I156 CarbonylContact C-O 3.55Å; G136-I156 WeakPolarHBondContact CA-O 3.48Å
137	I	97.7	Very high	93	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	121.7	170.2	-55.7	177.7	0	0	0	107.3	F89 Y96 F105 I118 F131 L132 C139 R155 I156 L158	F89-I137 HydrophobicContact CE1-CG2 3.87Å; F89-I137 HydrophobicContact CZ-CD1 4.13Å; F89-I137 HydrophobicContact CZ-CG1 4.06Å; F89-I137 HydrophobicContact CZ-CG2 3.88Å; Y96-I137 HydrophobicContact CD1-CD1 3.84Å; Y96-I137 HydrophobicContact CE1-CD1 4.36Å; F105-I137 HydrophobicContact CE2-CG2 4.2Å; F105-I137 HydrophobicContact CG-CD1 4.46Å; F105-I137 HydrophobicContact CZ-CG2 4.33Å; I118-I137 HydrophobicContact CD1-CD1 3.54Å; I118-I137 HydrophobicContact CG2-CD1 4.42Å; F131-I137 CarbonylContact O-C 3.54Å; F131-I137 WeakPolarHBondContact O-CA 3.15Å; L132-I137 HydrophobicContact CD1-CG1 4.01Å; I137-C139 HydrophobicContact CG2-CB 4.29Å; I137-R155 CarbonylContact O-C 3.58Å; I137-R155 VanDerWaalsContact O-CA 3.3Å; I137-R155 WeakPolarHBondContact O-CA 3.45Å; I137-I156 HydrophobicContact CB-CB 4.33Å; I137-I156 HydrophobicContact CB-CD1 4.47Å; I137-I156 PolarHBondContact N-O 3.36Å; I137-I156 PolarHBondContact O-N 2.96Å; I137-L158 HydrophobicContact CD1-CD2 3.83Å; I137-L158 HydrophobicContact CG1-CD2 3.74Å
138	Y	96.7	Very high	92.7	Very high	42 Å²	42	55.7 Å²	55.7	17%	0.165	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.4	169.7	-70.8	-108.4	0	0	0	107.4	G130 F131 A133 V154 R155 I166	G130-Y138 CarbonylContact C-O 3.49Å; G130-Y138 VanDerWaalsContact CA-O 3.29Å; G130-Y138 WeakPolarHBondContact CA-O 3.49Å; F131-Y138 WeakPolarHBondContact CD1-O 3.06Å; F131-Y138 HydrophobicContact CE1-CD1 4.45Å; F131-Y138 AromaticContact CE1-CG 3.9Å; F131-Y138 HydrophobicContact CE1-CG 3.9Å; F131-Y138 AromaticContact CE2-CD2 3.91Å; F131-Y138 HydrophobicContact CE2-CD2 3.91Å; F131-Y138 AromaticContact CE2-CG 3.9Å; F131-Y138 HydrophobicContact CE2-CG 3.9Å; F131-Y138 AromaticContact CZ-CD1 3.95Å; F131-Y138 HydrophobicContact CZ-CD1 3.95Å; F131-Y138 AromaticContact CZ-CD2 3.98Å; F131-Y138 HydrophobicContact CZ-CD2 3.98Å; F131-Y138 AromaticContact CZ-CG 3.48Å; F131-Y138 HydrophobicContact CZ-CG 3.48Å; F131-Y138 VanDerWaalsContact CZ-CG 3.48Å; F131-Y138 PolarHBondContact N-O 2.88Å; F131-Y138 PolarHBondContact O-N 2.95Å; A133-Y138 HydrophobicContact CB-CD2 4.09Å; A133-Y138 HydrophobicContact CB-CE2 3.91Å; A133-Y138 WeakPolarHBondContact O-CE2 3.47Å; Y138-V154 WeakPolarHBondContact CA-O 3.36Å; Y138-R155 HydrophobicContact CD1-CB 4.38Å; Y138-R155 HydrophobicContact CD2-CG 4.34Å; Y138-R155 HydrophobicContact CE1-CB 4.24Å; Y138-R155 HydrophobicContact CE1-CG 4.35Å; Y138-R155 HydrophobicContact CE2-CG 3.97Å; Y138-I166 HydrophobicContact CD1-CD1 3.27Å; Y138-I166 HydrophobicContact CE1-CD1 3.38Å; Y138-I166 HydrophobicContact CG-CD1 4.46Å
139	C	95.3	Very high	92.5	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.007	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	162.5	-173.6	58.8	0	0	0	0	111.7	F105 A128 I137 V154 I156	F105-C139 HydrophobicContact CE2-CB 3.82Å; F105-C139 HydrophobicContact CZ-CB 4.16Å; A128-C139 WeakPolarHBondContact O-CB 3.26Å; I137-C139 HydrophobicContact CG2-CB 4.29Å; C139-V154 PolarHBondContact N-O 3.49Å; C139-V154 PolarHBondContact O-N 2.92Å; C139-V154 WeakPolarHBondContact SG-CG2 3.48Å; C139-I156 VanDerWaalsContact SG-CD1 3.51Å
140	V	93.1	Very high	92.2	Very high	11 Å²	11	60.7 Å²	60.7	7%	0.067	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	135.5	164.1	178.9	0	0	0	0	108.3	V80 Y127 A128 D129 L152 W172	V80-V140 HydrophobicContact CG1-CG1 4.38Å; Y127-V140 VanDerWaalsContact CA-O 3.3Å; Y127-V140 WeakPolarHBondContact CA-O 3.2Å; A128-V140 PolarHBondContact N-O 3.42Å; A128-V140 PolarHBondContact O-N 2.98Å; D129-V140 HydrophobicContact CB-CG2 4.4Å; V140-L152 CarbonylContact C-O 3.49Å; V140-L152 WeakPolarHBondContact CA-O 3.2Å; V140-W172 HydrophobicContact CG2-CB 4.42Å
141	R	93.3	Very high	92	Very high	26 Å²	26	61.6 Å²	61.6	10%	0.098	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.2	169.9	-171.3	-177.6	83.8	-167.6	3.6	109.8	R126 Y127 D143 L152 V154 E163	R126-R141 CarbonylContact O-C 3.52Å; R126-R141 WeakPolarHBondContact O-CA 3.48Å; Y127-R141 HydrophobicContact CD1-CB 3.96Å; Y127-R141 HydrophobicContact CD1-CG 3.84Å; Y127-R141 HydrophobicContact CE1-CB 4.05Å; Y127-R141 VanDerWaalsContact CE1-CD 3.41Å; Y127-R141 HydrophobicContact CE1-CG 3.57Å; R141-D143 WeakPolarHBondContact CD-OD1 2.91Å; R141-D143 IonicContact CZ-OD1 3.86Å; R141-D143 IonicContact CZ-OD2 3.68Å; R141-D143 IonicContact NE-OD1 3.68Å; R141-D143 PolarHBondContact NE-OD1 3.47Å; R141-D143 IonicContact NE-OD2 2.66Å; R141-D143 PolarHBondContact NE-OD2 3.5Å; R141-D143 IonicContact NH2-OD1 2.7Å; R141-D143 PolarHBondContact NH2-OD1 2.8Å; R141-D143 IonicContact NH2-OD2 2.93Å; R141-D143 PolarHBondContact NH2-OD2 3.34Å; R141-L152 HydrophobicContact CB-CB 4.47Å; R141-L152 PolarHBondContact N-O 2.78Å; R141-L152 PolarHBondContact O-N 2.88Å; R141-V154 HydrophobicContact CB-CG1 3.91Å; R141-V154 HydrophobicContact CB-CG2 3.8Å; R141-E163 WeakPolarHBondContact CD-OE2 3.32Å; R141-E163 IonicContact CZ-OE2 4Å; R141-E163 IonicContact NE-OE2 2.77Å; R141-E163 IonicContact NH1-OE2 2.64Å; R141-E163 PolarHBondContact NH1-OE2 3.4Å
142	E	92.1	Very high	91.8	Very high	6 Å²	6	57.2 Å²	57.2	3%	0.028	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.8	161.4	-77.4	179.7	167.7	0	0	109	V80 H81 S125 R126 H144 V149 N150 N151	V80-E142 WeakPolarHBondContact CA-OE2 3.32Å; V80-E142 HydrophobicContact CG1-CG 3.99Å; V80-E142 HydrophobicContact CG2-CG 4.35Å; H81-E142 WeakPolarHBondContact CA-OE1 3.46Å; H81-E142 IonicContact CD2-OE1 3.63Å; H81-E142 PolarHBondContact CD2-OE1 3.33Å; H81-E142 IonicContact CG-OE1 3.99Å; H81-E142 PolarHBondContact N-OE1 3Å; H81-E142 PolarHBondContact N-OE2 2.94Å; H81-E142 IonicContact NE2-OE1 2.98Å; S125-E142 CarbonylContact C-O 3.48Å; S125-E142 VanDerWaalsContact CA-O 3.26Å; S125-E142 WeakPolarHBondContact CA-O 3.44Å; R126-E142 HydrophobicContact CB-CB 4.29Å; R126-E142 PolarHBondContact N-O 3.41Å; R126-E142 IonicContact NH1-OE2 3.37Å; R126-E142 PolarHBondContact O-N 3.43Å; E142-H144 IonicContact OE2-CD2 2.66Å; E142-H144 IonicContact OE2-CE1 2.76Å; E142-H144 IonicContact OE2-NE2 3.36Å; E142-H144 PolarHBondContact OE2-NE2 3.41Å; E142-V149 HydrophobicContact CB-CG1 3.83Å; E142-V149 HydrophobicContact CG-CG1 3.69Å; E142-N150 WeakPolarHBondContact CA-O 3.41Å; E142-N151 WeakPolarHBondContact CG-OD1 3.38Å
143	D	90.9	Very high	91.6	Very high	39 Å²	39	57.8 Å²	57.8	21%	0.209	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	114.5	163.3	-70.8	-21.8	0	0	0	109.3	S125 R141 V149 N150 L152	S125-D143 PolarHBondContact OG-OD1 3.24Å; R141-D143 WeakPolarHBondContact CD-OD1 2.91Å; R141-D143 IonicContact CZ-OD1 3.86Å; R141-D143 IonicContact CZ-OD2 3.68Å; R141-D143 IonicContact NE-OD1 3.68Å; R141-D143 PolarHBondContact NE-OD1 3.47Å; R141-D143 IonicContact NE-OD2 2.66Å; R141-D143 PolarHBondContact NE-OD2 3.5Å; R141-D143 IonicContact NH2-OD1 2.7Å; R141-D143 PolarHBondContact NH2-OD1 2.8Å; R141-D143 IonicContact NH2-OD2 2.93Å; R141-D143 PolarHBondContact NH2-OD2 3.34Å; D143-V149 WeakPolarHBondContact O-CA 3.48Å; D143-N150 HydrophobicContact CB-CB 4.41Å; D143-N150 PolarHBondContact N-O 2.99Å; D143-N150 PolarHBondContact O-N 2.82Å; D143-L152 WeakPolarHBondContact OD2-CD1 3.41Å
144	H	90.6	Very high	91.6	Very high	43 Å²	43	56.1 Å²	56.1	20%	0.199	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	120.6	176.8	-71.7	-115.6	0	0	0	109.9	R124 R126 E142	R124-H144 HydrophobicContact CB-CB 4.16Å; R124-H144 WeakPolarHBondContact CB-O 3.48Å; R124-H144 WeakPolarHBondContact CD-O 3.35Å; R124-H144 PolarHBondContact O-CD2 3.06Å; R124-H144 PolarHBondContact O-N 2.72Å; R124-H144 VanDerWaalsContact O-N 3.14Å; R126-H144 WeakPolarHBondContact CD-NE2 3.46Å; R126-H144 PolarHBondContact NE-NE2 2.96Å; R126-H144 PolarHBondContact NH1-CE1 3.03Å; E142-H144 IonicContact OE2-CD2 2.66Å; E142-H144 IonicContact OE2-CE1 2.76Å; E142-H144 IonicContact OE2-NE2 3.36Å; E142-H144 PolarHBondContact OE2-NE2 3.41Å
145	D	87	Confident	91.8	Very high	95 Å²	95	51.4 Å²	51.4	51%	0.508	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	168.3	164.3	-167.2	14.6	0	0	0	108.9	K147 S148	D145-K147 PolarHBondContact O-N 3.29Å; D145-S148 PolarHBondContact N-O 3.17Å; D145-S148 PolarHBondContact O-N 2.82Å
146	D	83.5	Confident	92.1	Very high	156 Å²	156	45.1 Å²	45.1	83%	0.834	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-20.3	-174.5	-72.3	-18.7	0	0	0	113.6
147	K	87.1	Confident	92.1	Very high	203 Å²	203	47 Å²	47	88%	0.883	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.2	-7.7	-173	-61.9	-177.4	-177.6	177.3	0	114.7	D145	D145-K147 PolarHBondContact O-N 3.29Å
148	S	88.2	Confident	91.9	Very high	52 Å²	52	49.5 Å²	49.5	36%	0.364	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	156.7	-173.3	62.7	0	0	0	0	112.2	D145	D145-S148 PolarHBondContact N-O 3.17Å; D145-S148 PolarHBondContact O-N 2.82Å
149	V	89.6	Confident	91.7	Very high	64 Å²	64	52.1 Å²	52.1	39%	0.388	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.1	171.5	-178.4	0	0	0	0	107.5	E142 D143	E142-V149 HydrophobicContact CB-CG1 3.83Å; E142-V149 HydrophobicContact CG-CG1 3.69Å; D143-V149 WeakPolarHBondContact O-CA 3.48Å
150	N	89.6	Confident	91.6	Very high	81 Å²	81	54.4 Å²	54.4	43%	0.433	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	117.8	176.5	-65.1	-64.2	0	0	0	109.9	E142 D143	E142-N150 WeakPolarHBondContact CA-O 3.41Å; D143-N150 HydrophobicContact CB-CB 4.41Å; D143-N150 PolarHBondContact N-O 2.99Å; D143-N150 PolarHBondContact O-N 2.82Å
151	N	90.2	Very high	91.6	Very high	30 Å²	30	54.1 Å²	54.1	16%	0.16	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124.9	174.2	-72.4	-62.8	0	0	0	110.9	H81 E142	H81-N151 PolarHBondContact NE2-OD1 2.99Å; E142-N151 WeakPolarHBondContact CG-OD1 3.38Å
152	L	92.1	Very high	91.7	Very high	15 Å²	15	59.8 Å²	59.8	8%	0.079	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.2	-172.8	-55	174.9	0	0	0	110.5	V140 R141 D143 V154 V165 V167	V140-L152 CarbonylContact C-O 3.49Å; V140-L152 WeakPolarHBondContact CA-O 3.2Å; R141-L152 HydrophobicContact CB-CB 4.47Å; R141-L152 PolarHBondContact N-O 2.78Å; R141-L152 PolarHBondContact O-N 2.88Å; D143-L152 WeakPolarHBondContact OD2-CD1 3.41Å; L152-V154 HydrophobicContact CB-CG1 3.87Å; L152-V154 HydrophobicContact CD1-CG1 4.49Å; L152-V165 HydrophobicContact CD1-CG2 4.26Å; L152-V165 HydrophobicContact CD2-CG1 4.2Å; L152-V167 WeakPolarHBondContact CA-O 3.49Å
153	L	93.4	Very high	91.8	Very high	42 Å²	42	61.2 Å²	61.2	22%	0.22	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	122.6	159.4	-175.8	70.9	0	0	0	107.6	I166 V167 W172	L153-I166 HydrophobicContact CD2-CB 4.32Å; L153-I166 HydrophobicContact CD2-CD1 4.25Å; L153-I166 HydrophobicContact CD2-CG2 4.35Å; L153-I166 HydrophobicContact CG-CB 4.38Å; L153-I166 HydrophobicContact CG-CD1 4.19Å; L153-I166 WeakPolarHBondContact O-CB 3.47Å; L153-I166 PolarHBondContact O-N 3.03Å; L153-V167 HydrophobicContact CB-CB 4.27Å; L153-V167 PolarHBondContact N-O 3.13Å; L153-V167 PolarHBondContact O-N 3.46Å; L153-W172 HydrophobicContact CB-CZ2 4.43Å
154	V	94.8	Very high	91.9	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	153.3	-176.6	-55.4	0	0	0	0	111.4	Y127 Y138 C139 R141 L152 I156 I164 V165	Y127-V154 HydrophobicContact CE1-CG2 4.41Å; Y138-V154 WeakPolarHBondContact CA-O 3.36Å; C139-V154 PolarHBondContact N-O 3.49Å; C139-V154 PolarHBondContact O-N 2.92Å; C139-V154 WeakPolarHBondContact SG-CG2 3.48Å; R141-V154 HydrophobicContact CB-CG1 3.91Å; R141-V154 HydrophobicContact CB-CG2 3.8Å; L152-V154 HydrophobicContact CB-CG1 3.87Å; L152-V154 HydrophobicContact CD1-CG1 4.49Å; V154-I156 HydrophobicContact CG2-CG1 4.33Å; V154-I164 CarbonylContact C-O 3.54Å; V154-I164 WeakPolarHBondContact CA-O 3.46Å; V154-V165 HydrophobicContact CG1-CG2 4.24Å
155	R	96.2	Very high	92.1	Very high	42 Å²	42	64.8 Å²	64.8	16%	0.158	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126.2	164.5	-179.1	-174.3	176.3	-80.7	-0.9	109	L134 I137 Y138 D157 E163 I164 I166	L134-R155 PolarHBondContact O-NH2 3.48Å; I137-R155 CarbonylContact O-C 3.58Å; I137-R155 VanDerWaalsContact O-CA 3.3Å; I137-R155 WeakPolarHBondContact O-CA 3.45Å; Y138-R155 HydrophobicContact CD1-CB 4.38Å; Y138-R155 HydrophobicContact CD2-CG 4.34Å; Y138-R155 HydrophobicContact CE1-CB 4.24Å; Y138-R155 HydrophobicContact CE1-CG 4.35Å; Y138-R155 HydrophobicContact CE2-CG 3.97Å; R155-D157 IonicContact NH1-OD2 3.08Å; R155-D157 IonicContact NH2-OD2 3.32Å; R155-E163 CarbonylContact O-C 3.43Å; R155-E163 WeakPolarHBondContact O-CA 3.46Å; R155-I164 PolarHBondContact N-O 2.96Å; R155-I164 PolarHBondContact O-N 3.32Å; R155-I166 HydrophobicContact CB-CD1 4.04Å; R155-I166 HydrophobicContact CB-CG1 4.28Å
156	I	96.9	Very high	92.4	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	119.9	173.8	-53.4	156.9	0	0	0	108	F105 I118 T119 Y127 G136 I137 C139 V154 E163	F105-I156 HydrophobicContact CD2-CD1 3.72Å; F105-I156 HydrophobicContact CE2-CD1 4.16Å; I118-I156 HydrophobicContact CG2-CG2 4.03Å; T119-I156 HydrophobicContact CG2-CD1 3.57Å; T119-I156 HydrophobicContact CG2-CG1 4.21Å; T119-I156 HydrophobicContact CG2-CG2 3.97Å; Y127-I156 HydrophobicContact CD1-CD1 3.96Å; Y127-I156 HydrophobicContact CE1-CD1 3.89Å; G136-I156 CarbonylContact C-O 3.55Å; G136-I156 WeakPolarHBondContact CA-O 3.48Å; I137-I156 HydrophobicContact CB-CB 4.33Å; I137-I156 HydrophobicContact CB-CD1 4.47Å; I137-I156 PolarHBondContact N-O 3.36Å; I137-I156 PolarHBondContact O-N 2.96Å; C139-I156 VanDerWaalsContact SG-CD1 3.51Å; V154-I156 HydrophobicContact CG2-CG1 4.33Å; I156-E163 HydrophobicContact CG1-CG 3.97Å; I156-E163 HydrophobicContact CG2-CG 4.38Å
157	D	95.8	Very high	92.8	Very high	39 Å²	39	58.6 Å²	58.6	21%	0.209	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	127.3	174.9	-177.1	-100.9	0	0	0	111.3	R155 A159 S160 G161 K162	R155-D157 IonicContact NH1-OD2 3.08Å; R155-D157 IonicContact NH2-OD2 3.32Å; D157-A159 VanDerWaalsContact C-N 3.32Å; D157-A159 PolarHBondContact O-N 3.3Å; D157-A159 PolarHBondContact OD1-N 3.4Å; D157-S160 WeakPolarHBondContact CB-OG 3.08Å; D157-S160 VanDerWaalsContact CG-OG 3.31Å; D157-S160 WeakPolarHBondContact OD1-CB 3.45Å; D157-S160 PolarHBondContact OD1-N 3.05Å; D157-S160 PolarHBondContact OD1-OG 2.96Å; D157-G161 VanDerWaalsContact O-CA 3.23Å; D157-G161 WeakPolarHBondContact O-CA 2.98Å; D157-G161 PolarHBondContact O-N 3.36Å; D157-K162 PolarHBondContact N-O 3.18Å
158	L	93.7	Very high	92.7	Very high	52 Å²	52	51.5 Å²	51.5	27%	0.272	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-31.1	-174.1	-80.1	-176.7	0	0	0	114.2	Y96 I118 L132 N135 I137	Y96-L158 HydrophobicContact CE1-CD2 3.94Å; I118-L158 HydrophobicContact CD1-CD2 4.08Å; I118-L158 HydrophobicContact CG2-CD2 4.24Å; L132-L158 HydrophobicContact CD1-CD1 3.51Å; L132-L158 HydrophobicContact CD1-CD2 4.14Å; L132-L158 HydrophobicContact CD1-CG 3.92Å; L132-L158 HydrophobicContact CD2-CD1 4.36Å; N135-L158 PolarHBondContact O-N 3.15Å; I137-L158 HydrophobicContact CD1-CD2 3.83Å; I137-L158 HydrophobicContact CG1-CD2 3.74Å
159	A	92.2	Very high	91.7	Very high	97 Å²	97	58.1 Å²	58.1	80%	0.802	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-43.4	-174.6	0	0	0	0	0	111.5	D157	D157-A159 VanDerWaalsContact C-N 3.32Å; D157-A159 PolarHBondContact O-N 3.3Å; D157-A159 PolarHBondContact OD1-N 3.4Å
160	S	93.4	Very high	90.4	Very high	49 Å²	49	62.4 Å²	62.4	34%	0.343	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-21.2	-174.8	62.4	0	0	0	0	113.8	K120 D157 K162	K120-S160 WeakPolarHBondContact CE-O 3.31Å; K120-S160 PolarHBondContact NZ-O 2.57Å; D157-S160 WeakPolarHBondContact CB-OG 3.08Å; D157-S160 VanDerWaalsContact CG-OG 3.31Å; D157-S160 WeakPolarHBondContact OD1-CB 3.45Å; D157-S160 PolarHBondContact OD1-N 3.05Å; D157-S160 PolarHBondContact OD1-OG 2.96Å; S160-K162 PolarHBondContact O-N 3.25Å; S160-K162 VanDerWaalsContact OG-CB 3.27Å; S160-K162 WeakPolarHBondContact OG-CB 3.07Å; S160-K162 PolarHBondContact OG-N 3.17Å
161	G	93.8	Very high	88.9	Confident	6 Å²	6	64.7 Å²	64.7	6%	0.062	34%	0.344	C	S	.	.			trans	70	8.1	-167.7	0	0	0	0	0	113.1	I118 D157	I118-G161 WeakPolarHBondContact O-CA 3.21Å; D157-G161 VanDerWaalsContact O-CA 3.23Å; D157-G161 WeakPolarHBondContact O-CA 2.98Å; D157-G161 PolarHBondContact O-N 3.36Å
162	K	94	Very high	87.4	Confident	145 Å²	145	67.2 Å²	67.2	63%	0.63	35%	0.352	S	S	*	.			trans	-71.5	135.1	-178.7	-176.5	179.7	177.6	-178.7	0	110.1	D157 S160	D157-K162 PolarHBondContact N-O 3.18Å; S160-K162 PolarHBondContact O-N 3.25Å; S160-K162 VanDerWaalsContact OG-CB 3.27Å; S160-K162 WeakPolarHBondContact OG-CB 3.07Å; S160-K162 PolarHBondContact OG-N 3.17Å
163	E	94.5	Very high	85.7	Confident	35 Å²	35	71.9 Å²	71.9	16%	0.164	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	142.7	-179.2	-52.8	-166.5	-164.3	0	0	111.8	S121 Y127 R141 R155 I156	S121-E163 VanDerWaalsContact OG-CD 3.22Å; S121-E163 PolarHBondContact OG-OE1 3.05Å; Y127-E163 VanDerWaalsContact OH-CD 3.3Å; Y127-E163 PolarHBondContact OH-OE1 3.29Å; Y127-E163 PolarHBondContact OH-OE2 3.41Å; R141-E163 WeakPolarHBondContact CD-OE2 3.32Å; R141-E163 IonicContact CZ-OE2 4Å; R141-E163 IonicContact NE-OE2 2.77Å; R141-E163 IonicContact NH1-OE2 2.64Å; R141-E163 PolarHBondContact NH1-OE2 3.4Å; R155-E163 CarbonylContact O-C 3.43Å; R155-E163 WeakPolarHBondContact O-CA 3.46Å; I156-E163 HydrophobicContact CG1-CG 3.97Å; I156-E163 HydrophobicContact CG2-CG 4.38Å
164	I	94.1	Very high	83.9	Confident	88 Å²	88	70.4 Å²	70.4	45%	0.451	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.1	173.5	-58.4	174.2	0	0	0	107.2	V154 R155 I166	V154-I164 CarbonylContact C-O 3.54Å; V154-I164 WeakPolarHBondContact CA-O 3.46Å; R155-I164 PolarHBondContact N-O 2.96Å; R155-I164 PolarHBondContact O-N 3.32Å; I164-I166 PolarHBondContact O-N 3.21Å
165	V	94.2	Very high	82.1	Confident	70 Å²	70	75.5 Å²	75.5	42%	0.424	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	120.3	171.3	-179.5	0	0	0	0	108.3	L152 V154	L152-V165 HydrophobicContact CD1-CG2 4.26Å; L152-V165 HydrophobicContact CD2-CG1 4.2Å; V154-V165 HydrophobicContact CG1-CG2 4.24Å
166	I	94.1	Very high	79.9	Confident	76 Å²	76	77.5 Å²	77.5	39%	0.39	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-48	177.3	-51	179	0	0	0	109.2	Y138 L153 R155 I164	Y138-I166 HydrophobicContact CD1-CD1 3.27Å; Y138-I166 HydrophobicContact CE1-CD1 3.38Å; Y138-I166 HydrophobicContact CG-CD1 4.46Å; L153-I166 HydrophobicContact CD2-CB 4.32Å; L153-I166 HydrophobicContact CD2-CD1 4.25Å; L153-I166 HydrophobicContact CD2-CG2 4.35Å; L153-I166 HydrophobicContact CG-CB 4.38Å; L153-I166 HydrophobicContact CG-CD1 4.19Å; L153-I166 WeakPolarHBondContact O-CB 3.47Å; L153-I166 PolarHBondContact O-N 3.03Å; R155-I166 HydrophobicContact CB-CD1 4.04Å; R155-I166 HydrophobicContact CB-CG1 4.28Å; I164-I166 PolarHBondContact O-N 3.21Å
167	V	91.3	Very high	77.8	Confident	45 Å²	45	80.5 Å²	80.5	27%	0.273	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	142.2	-179.8	-179	0	0	0	0	109.6	L152 L153 Y170 W172	L152-V167 WeakPolarHBondContact CA-O 3.49Å; L153-V167 HydrophobicContact CB-CB 4.27Å; L153-V167 PolarHBondContact N-O 3.13Å; L153-V167 PolarHBondContact O-N 3.46Å; V167-Y170 HydrophobicContact CG1-CD2 3.4Å; V167-Y170 HydrophobicContact CG1-CE2 3.65Å; V167-W172 HydrophobicContact CB-CZ2 4.13Å; V167-W172 HydrophobicContact CG1-CZ2 3.82Å
168	S	84.5	Confident	75.2	Confident	54 Å²	54	88.8 Å²	88.8	38%	0.378	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	161.7	172.2	64.7	0	0	0	0	111.2	Y170	S168-Y170 WeakPolarHBondContact O-CD2 3.47Å
169	K	66.9	Low	74.3	Confident	191 Å²	191	90.6 Å²	90.6	83%	0.83	49%	0.488	S	S	*	.	S	Bend	trans	73.5	18.9	168.8	-54.2	-177.8	177.1	-177.3	0	117.6
170	Y	63.5	Low	73.3	Confident	153 Å²	153	90.3 Å²	90.3	60%	0.6	47%	0.471	S	S	*	.			trans	-107.2	147.4	169.4	-66.3	-91	0	0	0	110.1	V167 S168 W172	V167-Y170 HydrophobicContact CG1-CD2 3.4Å; V167-Y170 HydrophobicContact CG1-CE2 3.65Å; S168-Y170 WeakPolarHBondContact O-CD2 3.47Å; Y170-W172 HydrophobicContact CD2-CZ2 4.38Å; Y170-W172 HydrophobicContact CG-CZ2 4.38Å; Y170-W172 PolarHBondContact O-N 2.9Å; Y170-W172 PolarHBondContact O-NE1 3.11Å
171	V	57	Low	72.2	Confident	130 Å²	130	92.6 Å²	92.6	79%	0.788	48%	0.479	S	S	*	.			trans	-76.9	106.1	170.4	-179.2	0	0	0	0	106.6
172	W	58.7	Low	70.9	Confident	82 Å²	82	97.6 Å²	97.6	31%	0.311	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-96.2	127	174.4	-57.3	98	0	0	0	107.5	H81 V140 L153 V167 Y170	H81-W172 PolarHBondContact CE1-O 3.29Å; H81-W172 PolarHBondContact NE2-O 3.5Å; V140-W172 HydrophobicContact CG2-CB 4.42Å; L153-W172 HydrophobicContact CB-CZ2 4.43Å; V167-W172 HydrophobicContact CB-CZ2 4.13Å; V167-W172 HydrophobicContact CG1-CZ2 3.82Å; Y170-W172 HydrophobicContact CD2-CZ2 4.38Å; Y170-W172 HydrophobicContact CG-CZ2 4.38Å; Y170-W172 PolarHBondContact O-N 2.9Å; Y170-W172 PolarHBondContact O-NE1 3.11Å
173	C	56.1	Low	69.5	Low	114 Å²	114	94.7 Å²	94.7	77%	0.77	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-88	128.1	170	-67.5	0	0	0	0	108.3
174	T	57	Low	67.8	Low	10 Å²	10	98.7 Å²	98.7	6%	0.061	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-74.4	156.3	163.6	48.6	0	0	0	0	109.6	V80 H81 A128 D129 P176	V80-T174 HydrophobicContact CB-CG2 4.28Å; V80-T174 HydrophobicContact CG1-CG2 3.46Å; V80-T174 VanDerWaalsContact CG1-CG2 3.46Å; H81-T174 PolarHBondContact ND1-OG1 2.84Å; A128-T174 HydrophobicContact CB-CG2 3.8Å; D129-T174 WeakPolarHBondContact OD2-CA 3.32Å; D129-T174 WeakPolarHBondContact OD2-CB 3.34Å; D129-T174 WeakPolarHBondContact OD2-CG2 3.37Å; T174-P176 WeakPolarHBondContact O-CD 3.39Å
175	L	56.8	Low	66	Low	107 Å²	107	99.4 Å²	99.4	56%	0.56	52%	0.522	S	S	*	.			trans	-61.5	108.3	168.8	-72.4	171.1	0	0	0	108.8	D129	D129-L175 PolarHBondContact OD2-N 3.26Å
176	P	50.1	Low	63.8	Low	84 Å²	84	101.7 Å²	101.7	55%	0.545	53%	0.529	S	S	.	.			trans	-65.8	154.1	-178.1	-10.9	26.6	0	0	0	109.9	T174 D178	T174-P176 WeakPolarHBondContact O-CD 3.39Å; P176-D178 PolarHBondContact O-N 3.45Å
177	R	52.2	Low	61.3	Low	63 Å²	63	103.8 Å²	103.8	24%	0.238	54%	0.541	C	S	.	.			trans	-77.3	102	162	-70.7	-169.1	-107.1	-149.3	-15.1	107.8	L28 Y83	L28-R177 HydrophobicContact CD2-CG 4.36Å; Y83-R177 PolarHBondContact O-NE 3.36Å
178	D	41.1	Very low	58.5	Low	213 Å²	213	109.2 Å²	109.2	100%	1.139	57%	0.566	S	S	*	*			trans	-65.9	0	168.8	-51	-23.1	0	0	0	111.3	P176	P176-D178 PolarHBondContact O-N 3.45Å

Retrieved 178 of 178 residues in 32.6 ms (Link to these results)

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