A0A077ZJ84_TRITR Loading...

NlpE domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJ84, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 227 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	45.1	Very low	63.1	Low	249 Å²	249	149.2 Å²	149.2	100%	1.227	85%	0.848	S	S	*	*				0	87.7	0	-73	-77.2	-125.7	0	0	108
2	A	53	Low	63.5	Low	95 Å²	95	147.4 Å²	147.4	79%	0.785	85%	0.849	S	S	*	*			trans	-154.3	115.8	171.5	0	0	0	0	0	107.1
3	V	49.8	Very low	63.5	Low	135 Å²	135	147.6 Å²	147.6	82%	0.818	85%	0.846	S	S	*	*			trans	-89.1	123.6	-175.8	177.2	0	0	0	0	107.6
4	I	66	Low	63.3	Low	157 Å²	157	148.5 Å²	148.5	81%	0.805	85%	0.846	S	S	*	*			trans	-110	102.5	171.7	-62.3	176	0	0	0	106.8
5	S	65.2	Low	62.9	Low	92 Å²	92	154.3 Å²	154.3	64%	0.643	85%	0.849	S	S	*	*			trans	-79.1	124.9	174.6	-61.1	0	0	0	0	109.9
6	L	68.1	Low	62.5	Low	158 Å²	158	150 Å²	150	83%	0.827	84%	0.84	S	S	*	*			trans	-65	125.6	170.2	-99.1	75.7	0	0	0	110.3
7	F	70	Confident	61.7	Low	200 Å²	200	151.4 Å²	151.4	88%	0.877	84%	0.838	S	S	*	*			trans	-92	114.1	161.1	-88.8	-91.9	0	0	0	109
8	T	72.7	Confident	61.3	Low	124 Å²	124	149.6 Å²	149.6	76%	0.761	83%	0.832	S	S	*	*			trans	-83.2	119.9	166.9	41	0	0	0	0	109	M10	T8-M10 PolarHBondContact O-N 3.04Å
9	L	70.7	Confident	60.6	Low	175 Å²	175	148.7 Å²	148.7	92%	0.916	83%	0.826	S	S	*	*			trans	-71.5	113	173.3	-78.9	150.6	0	0	0	109.4	G11	L9-G11 PolarHBondContact O-N 2.98Å
10	M	69.4	Low	59.8	Low	181 Å²	181	147.5 Å²	147.5	89%	0.892	82%	0.823	S	S	*	*			trans	-71	107.6	163.7	-80.8	167.3	168.6	0	0	108.7	T8 C12	T8-M10 PolarHBondContact O-N 3.04Å; M10-C12 PolarHBondContact O-N 3.4Å
11	G	63.8	Low	59	Low	75 Å²	75	148.3 Å²	148.3	77%	0.773	83%	0.825	S	S	*	*			trans	-72.7	115.6	168.6	0	0	0	0	0	110.5	L9 N13	L9-G11 PolarHBondContact O-N 2.98Å; G11-N13 PolarHBondContact O-N 3.09Å
12	C	68.5	Low	58.7	Low	128 Å²	128	141 Å²	141	87%	0.865	80%	0.798	S	S	*	*			trans	-76.2	105.6	164.8	-67.8	0	0	0	0	108.8	M10	M10-C12 PolarHBondContact O-N 3.4Å
13	N	63.8	Low	58.3	Low	150 Å²	150	141.7 Å²	141.7	80%	0.802	79%	0.794	S	S	*	*			trans	-88.8	105.3	164.9	-158.4	13.4	0	0	0	107.7	G11 R15	G11-N13 PolarHBondContact O-N 3.09Å; N13-R15 VanDerWaalsContact C-N 3.32Å; N13-R15 PolarHBondContact O-N 2.8Å
14	N	60.3	Low	58	Low	160 Å²	160	139.6 Å²	139.6	86%	0.856	79%	0.791	S	S	*	*			trans	-65.8	91.5	171.2	-103.3	-7	0	0	0	108.4	A16	N14-A16 PolarHBondContact O-N 3.04Å
15	R	57.5	Low	56.7	Low	235 Å²	235	141 Å²	141	89%	0.887	79%	0.794	S	S	*	*			trans	-71.7	102.1	156	-96.1	-174.7	172.7	176.1	-1.7	106.2	N13 E17	N13-R15 VanDerWaalsContact C-N 3.32Å; N13-R15 PolarHBondContact O-N 2.8Å; R15-E17 PolarHBondContact O-N 3.16Å
16	A	55.6	Low	55.8	Low	86 Å²	86	141 Å²	141	71%	0.711	80%	0.801	S	S	*	*			trans	-54.3	111	159.8	0	0	0	0	0	107.1	N14 V18	N14-A16 PolarHBondContact O-N 3.04Å; A16-V18 PolarHBondContact O-N 2.98Å
17	E	48.8	Very low	55.1	Low	173 Å²	173	136.9 Å²	136.9	81%	0.808	79%	0.789	S	S	*	*			trans	-60.3	91.7	163.4	-169.5	164.1	171.1	0	0	105.8	R15 D19	R15-E17 PolarHBondContact O-N 3.16Å; E17-D19 PolarHBondContact O-N 2.84Å
18	V	55.4	Low	54.6	Low	119 Å²	119	136.2 Å²	136.2	72%	0.721	79%	0.789	S	S	*	*			trans	-67.9	93.6	163.1	-179	0	0	0	0	103.6	A16 T20	A16-V18 PolarHBondContact O-N 2.98Å; V18-T20 PolarHBondContact O-N 2.94Å
19	D	48.4	Very low	54.2	Low	133 Å²	133	134.4 Å²	134.4	71%	0.711	77%	0.774	S	S	*	*			trans	-48.6	99.6	160.7	-107.8	-31.4	0	0	0	105.9	E17 L21	E17-D19 PolarHBondContact O-N 2.84Å; D19-L21 PolarHBondContact O-N 3.47Å
20	T	43.5	Very low	54.2	Low	125 Å²	125	134.1 Å²	134.1	77%	0.767	77%	0.765	S	S	*	*			trans	-62.3	91	165.4	41.5	0	0	0	0	105.2	V18 S22	V18-T20 PolarHBondContact O-N 2.94Å; T20-S22 PolarHBondContact O-N 3.36Å
21	L	43.3	Very low	54.6	Low	165 Å²	165	131.9 Å²	131.9	86%	0.864	76%	0.764	S	S	*	*			trans	-50.6	97.5	154	-77.2	164.2	0	0	0	105.2	D19 P23	D19-L21 PolarHBondContact O-N 3.47Å; L21-P23 VanDerWaalsContact O-N 3.14Å
22	S	39.7	Very low	55.4	Low	95 Å²	95	130.5 Å²	130.5	66%	0.664	74%	0.738	S	S	*	*			trans	-45.3	123	165.9	-174.7	0	0	0	0	105.5	T20 A24	T20-S22 PolarHBondContact O-N 3.36Å; S22-A24 VanDerWaalsContact C-N 3.3Å; S22-A24 PolarHBondContact O-N 2.97Å
23	P	43.9	Very low	56.3	Low	109 Å²	109	127 Å²	127	71%	0.708	71%	0.714	S	S	*	*			trans	-58.4	107.9	174.5	23.4	-28.5	0	0	0	104.4	L21 Q25	L21-P23 VanDerWaalsContact O-N 3.14Å; P23-Q25 PolarHBondContact O-N 3.31Å
24	A	43.5	Very low	57.5	Low	92 Å²	92	124.1 Å²	124.1	76%	0.76	70%	0.695	S	S	*	*			trans	-44.2	113.8	173.2	0	0	0	0	0	105	S22 A26	S22-A24 VanDerWaalsContact C-N 3.3Å; S22-A24 PolarHBondContact O-N 2.97Å; A24-A26 PolarHBondContact O-N 2.93Å
25	Q	38.2	Very low	59.1	Low	185 Å²	185	117 Å²	117	86%	0.864	66%	0.658	S	S	*	*			trans	-37	104.7	-166.6	-70.2	148.2	8.1	0	0	107.9	P23 A27	P23-Q25 PolarHBondContact O-N 3.31Å; Q25-A27 PolarHBondContact O-N 2.79Å
26	A	46.1	Very low	60.9	Low	94 Å²	94	105.8 Å²	105.8	78%	0.777	62%	0.616	S	S	*	*			trans	-63.5	95.7	174.9	0	0	0	0	0	104	A24 E28	A24-A26 PolarHBondContact O-N 2.93Å; A26-E28 PolarHBondContact O-N 3.26Å
27	A	55	Low	62.9	Low	70 Å²	70	107.1 Å²	107.1	58%	0.579	60%	0.602	S	S	*	*			trans	-52.9	119.4	-179.9	0	0	0	0	0	106	Q25 L29	Q25-A27 PolarHBondContact O-N 2.79Å; A27-L29 PolarHBondContact O-N 2.89Å
28	E	58.3	Low	65.2	Low	187 Å²	187	99.8 Å²	99.8	87%	0.874	57%	0.573	S	S	*	*			trans	-55.1	115.6	-177.1	-170.9	177.4	171.8	0	0	108	A26 K30	A26-E28 PolarHBondContact O-N 3.26Å; E28-K30 PolarHBondContact O-N 2.89Å; E28-K30 VanDerWaalsContact O-N 3.1Å
29	L	64.9	Low	67.2	Low	86 Å²	86	97.4 Å²	97.4	45%	0.45	56%	0.559	S	S	.	*			trans	-66.3	115.6	-177.1	-67.1	176.1	0	0	0	107.9	A27 R84	A27-L29 PolarHBondContact O-N 2.89Å; L29-R84 HydrophobicContact CD1-CG 4.43Å
30	K	70.4	Confident	69.5	Low	169 Å²	169	91.5 Å²	91.5	74%	0.735	53%	0.527	S	S	*	.			trans	-54.5	140.2	174.1	-69.9	-176.6	179.3	179.6	0	110.2	E28 M32 R84	E28-K30 PolarHBondContact O-N 2.89Å; E28-K30 VanDerWaalsContact O-N 3.1Å; K30-M32 PolarHBondContact O-N 3.29Å; K30-R84 PolarHBondContact O-NH1 3.42Å
31	P	78.2	Confident	72	Confident	133 Å²	133	87.3 Å²	87.3	86%	0.864	50%	0.502	S	S	*	.			trans	-48.8	133.2	171.1	-26.5	34.2	0	0	0	110.5
32	M	79.2	Confident	74.3	Confident	47 Å²	47	80.7 Å²	80.7	23%	0.232	47%	0.469	C	S	.	.			trans	-104.5	143.8	-179.9	-139.7	172.6	37.1	0	0	108.9	K30 W36 L54 L89 L108	K30-M32 PolarHBondContact O-N 3.29Å; M32-W36 HydrophobicContact CE-CH2 3.93Å; M32-W36 HydrophobicContact CE-CZ2 3.91Å; M32-W36 HydrophobicContact CG-CZ2 3.86Å; M32-W36 HydrophobicContact SD-CZ2 4.07Å; M32-L54 HydrophobicContact CE-CD1 3.33Å; M32-L89 HydrophobicContact CE-CD1 4.36Å; M32-L89 HydrophobicContact CE-CD2 4.45Å; M32-L108 HydrophobicContact SD-CD2 4.38Å
33	P	87.8	Confident	76.6	Confident	55 Å²	55	81.5 Å²	81.5	36%	0.357	48%	0.482	S	S	.	.			trans	-50.7	154.6	166.2	-25.9	35.5	0	0	0	110.7	W36 P128	P33-W36 HydrophobicContact CB-CZ2 4.31Å; P33-W36 WeakPolarHBondContact O-CH2 3.27Å; P33-W36 WeakPolarHBondContact O-CZ2 3.19Å; P33-P128 HydrophobicContact CB-CB 4.07Å; P33-P128 HydrophobicContact CG-CB 3.87Å; P33-P128 HydrophobicContact CG-CG 3.94Å
34	Q	89.7	Confident	78.6	Confident	89 Å²	89	83.4 Å²	83.4	42%	0.416	49%	0.486	S	S	.	.	S	Bend	trans	-94.1	-13.7	177.2	-67.7	-167.1	-97.7	0	0	113	W36 F53 L54	Q34-W36 VanDerWaalsContact C-CZ3 3.49Å; Q34-W36 WeakPolarHBondContact O-CZ3 3.38Å; Q34-F53 CarbonylContact O-C 3.48Å; Q34-F53 WeakPolarHBondContact O-CA 3.35Å; Q34-L54 PolarHBondContact O-N 3.16Å
35	S	93.8	Very high	80.8	Confident	9 Å²	9	80.6 Å²	80.6	6%	0.063	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	136.6	-174.1	140.5	0	0	0	0	110.3	L52 A129 S131	S35-L52 CarbonylContact C-O 3.51Å; S35-L52 VanDerWaalsContact CA-O 3.27Å; S35-L52 WeakPolarHBondContact CA-O 3.32Å; S35-A129 WeakPolarHBondContact CB-O 2.9Å; S35-A129 PolarHBondContact O-N 2.87Å; S35-A129 VanDerWaalsContact O-O 3.11Å; S35-A129 PolarHBondContact OG-O 2.95Å; S35-S131 PolarHBondContact OG-OG 2.98Å
36	W	96	Very high	83.4	Confident	1 Å²	1	79.4 Å²	79.4	0%	0.004	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	152.9	177.9	-54.4	-95.8	0	0	0	111	M32 P33 Q34 S51 L52 L54 L108 L126 E127	M32-W36 HydrophobicContact CE-CH2 3.93Å; M32-W36 HydrophobicContact CE-CZ2 3.91Å; M32-W36 HydrophobicContact CG-CZ2 3.86Å; M32-W36 HydrophobicContact SD-CZ2 4.07Å; P33-W36 HydrophobicContact CB-CZ2 4.31Å; P33-W36 WeakPolarHBondContact O-CH2 3.27Å; P33-W36 WeakPolarHBondContact O-CZ2 3.19Å; Q34-W36 VanDerWaalsContact C-CZ3 3.49Å; Q34-W36 WeakPolarHBondContact O-CZ3 3.38Å; W36-S51 WeakPolarHBondContact O-CA 3.35Å; W36-L52 HydrophobicContact CE3-CB 4.14Å; W36-L52 HydrophobicContact CE3-CD2 3.89Å; W36-L52 HydrophobicContact CE3-CG 3.81Å; W36-L52 HydrophobicContact CZ3-CD2 4.37Å; W36-L52 HydrophobicContact CZ3-CG 4.25Å; W36-L52 PolarHBondContact N-O 3.42Å; W36-L52 PolarHBondContact O-N 2.89Å; W36-L54 HydrophobicContact CE3-CG 4.21Å; W36-L54 HydrophobicContact CH2-CB 3.61Å; W36-L54 HydrophobicContact CH2-CD1 3.1Å; W36-L54 HydrophobicContact CH2-CG 3.32Å; W36-L54 HydrophobicContact CZ2-CD1 4Å; W36-L54 HydrophobicContact CZ3-CB 3.53Å; W36-L54 HydrophobicContact CZ3-CD1 3.52Å; W36-L54 HydrophobicContact CZ3-CD2 4.39Å; W36-L54 HydrophobicContact CZ3-CG 3.16Å; W36-L108 HydrophobicContact CD2-CD1 3.48Å; W36-L108 VanDerWaalsContact CD2-CD1 3.48Å; W36-L108 HydrophobicContact CD2-CG 4.28Å; W36-L108 HydrophobicContact CE3-CD1 4.09Å; W36-L108 HydrophobicContact CG-CD1 3.8Å; W36-L108 HydrophobicContact CG-CG 4.26Å; W36-L108 HydrophobicContact CH2-CD1 4.39Å; W36-L108 HydrophobicContact CZ2-CD1 3.74Å; W36-L108 HydrophobicContact CZ2-CG 4.37Å; W36-L126 HydrophobicContact CB-CB 3.73Å; W36-L126 HydrophobicContact CB-CD1 4.43Å; W36-E127 CarbonylContact C-O 3.48Å; W36-E127 WeakPolarHBondContact CA-O 3.5Å
37	R	96.9	Very high	85.8	Confident	113 Å²	113	75 Å²	75	43%	0.426	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	150.3	175.1	-72.4	-175.3	170.7	154.6	-13.5	111.8	T50 L126 E127 A129	R37-T50 VanDerWaalsContact CA-O 3.26Å; R37-T50 WeakPolarHBondContact CA-O 3.17Å; R37-L126 CarbonylContact O-C 3.59Å; R37-L126 WeakPolarHBondContact O-CA 3.2Å; R37-E127 PolarHBondContact N-O 3.41Å; R37-E127 PolarHBondContact O-N 3.24Å; R37-A129 HydrophobicContact CB-CB 4.08Å; R37-A129 HydrophobicContact CG-CB 3.92Å
38	G	96.6	Very high	87.8	Confident	20 Å²	20	72.6 Å²	72.6	21%	0.206	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	175.2	173.4	0	0	0	0	0	110.9	T50	G38-T50 PolarHBondContact N-O 2.87Å; G38-T50 PolarHBondContact O-N 3.27Å
39	V	97.3	Very high	89.6	Confident	69 Å²	69	67.8 Å²	67.8	42%	0.418	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	109.2	170.2	-179.8	0	0	0	0	106.9	I48 L67	V39-I48 WeakPolarHBondContact CA-O 3.31Å; V39-L67 HydrophobicContact CG1-CD1 3.75Å; V39-L67 HydrophobicContact CG2-CD1 4.32Å
40	L	97.1	Very high	91.1	Very high	9 Å²	9	63.8 Å²	63.8	5%	0.047	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	152.8	177.4	-63.3	178.8	0	0	0	110.3	G47 I48 T50 M110 L126	L40-G47 CarbonylContact O-C 3.41Å; L40-G47 WeakPolarHBondContact O-CA 3.41Å; L40-I48 PolarHBondContact N-O 3.35Å; L40-I48 PolarHBondContact O-N 2.59Å; L40-T50 HydrophobicContact CD1-CG2 4.21Å; L40-M110 HydrophobicContact CD1-SD 3.95Å; L40-L126 HydrophobicContact CD1-CD2 4.35Å; L40-L126 HydrophobicContact CD2-CD2 3.93Å; L40-L126 HydrophobicContact CG-CD2 4.03Å
41	P	95.7	Very high	92.4	Very high	37 Å²	37	56.4 Å²	56.4	24%	0.24	32%	0.322	C	S	.	.			trans	-69.9	142.6	-177.6	-19.5	36.9	0	0	0	111	F122 N123 Y124	P41-F122 HydrophobicContact CB-CB 3.91Å; P41-F122 HydrophobicContact CB-CG 4.18Å; P41-F122 HydrophobicContact CG-CB 3.46Å; P41-F122 VanDerWaalsContact CG-CB 3.46Å; P41-F122 HydrophobicContact CG-CG 4.27Å; P41-N123 WeakPolarHBondContact CD-O 3.4Å; P41-N123 VanDerWaalsContact CG-O 3.24Å; P41-N123 WeakPolarHBondContact CG-O 3.35Å; P41-Y124 HydrophobicContact CB-CE1 4.42Å; P41-Y124 HydrophobicContact CG-CD1 4.15Å; P41-Y124 HydrophobicContact CG-CD2 4.15Å; P41-Y124 HydrophobicContact CG-CE1 3.82Å; P41-Y124 HydrophobicContact CG-CE2 3.8Å; P41-Y124 HydrophobicContact CG-CG 4.31Å
42	C	92.9	Very high	93.2	Very high	25 Å²	25	50 Å²	50	17%	0.169	28%	0.281	C	S	.	.			trans	-121.4	138.9	-179.5	-169.1	0	0	0	0	109.3	D44 C45 I48	C42-D44 VanDerWaalsContact C-N 3.35Å; C42-C45 HydrophobicContact CB-CB 4.03Å; C42-C45 WeakPolarHBondContact CB-SG 3.32Å; C42-C45 WeakPolarHBondContact SG-CB 3.38Å; C42-C45 PolarHBondContact SG-N 3.41Å; C42-C45 VanDerWaalsContact SG-N 3.38Å; C42-C45 CovalentContact SG-SG 2.03Å; C42-C45 PolarHBondContact SG-SG 2.99Å; C42-I48 HydrophobicContact CB-CD1 4.43Å; C42-I48 HydrophobicContact CB-CG1 3.9Å
43	A	88	Confident	94	Very high	113 Å²	113	48.5 Å²	48.5	93%	0.934	27%	0.273	S	S	*	.	S	Bend	trans	-70.6	-32.7	-175.8	0	0	0	0	0	112.9
44	D	85.7	Confident	94.3	Very high	149 Å²	149	46.1 Å²	46.1	80%	0.797	26%	0.257	S	S	*	.	S	Bend	trans	-136.3	16	-169.4	61.2	-19.3	0	0	0	113.1	C42	C42-D44 VanDerWaalsContact C-N 3.35Å
45	C	88.5	Confident	94.3	Very high	32 Å²	32	43.9 Å²	43.9	22%	0.216	25%	0.247	C	C	.	.	S	Bend	trans	-140.6	173	175	80.6	0	0	0	0	111.3	C42 G47 L67	C42-C45 HydrophobicContact CB-CB 4.03Å; C42-C45 WeakPolarHBondContact CB-SG 3.32Å; C42-C45 WeakPolarHBondContact SG-CB 3.38Å; C42-C45 PolarHBondContact SG-N 3.41Å; C42-C45 VanDerWaalsContact SG-N 3.38Å; C42-C45 CovalentContact SG-SG 2.03Å; C42-C45 PolarHBondContact SG-SG 2.99Å; C45-G47 PolarHBondContact O-N 2.58Å; C45-G47 PolarHBondContact SG-O 2.98Å; C45-L67 WeakPolarHBondContact CB-O 3.07Å
46	E	93.5	Very high	94.1	Very high	161 Å²	161	52 Å²	52	75%	0.752	28%	0.281	S	S	*	.	S	Bend	trans	-67.8	-20.3	-175.4	-65.2	172	-160.7	0	0	112.6	L67	E46-L67 HydrophobicContact CB-CB 3.82Å; E46-L67 PolarHBondContact N-O 3.46Å; E46-L67 VanDerWaalsContact N-O 3.08Å
47	G	96	Very high	93.9	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154.4	171.9	-178.4	0	0	0	0	0	110.8	L40 C45 L67	L40-G47 CarbonylContact O-C 3.41Å; L40-G47 WeakPolarHBondContact O-CA 3.41Å; C45-G47 PolarHBondContact O-N 2.58Å; C45-G47 PolarHBondContact SG-O 2.98Å; G47-L67 VanDerWaalsContact O-CB 3.27Å; G47-L67 WeakPolarHBondContact O-CB 3.47Å; G47-L67 VanDerWaalsContact O-CG 3.3Å; G47-L67 WeakPolarHBondContact O-CG 3.38Å; G47-L67 PolarHBondContact O-N 2.98Å
48	I	96.9	Very high	93.7	Very high	20 Å²	20	50.3 Å²	50.3	10%	0.103	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	104	176.5	-52	178	0	0	0	107.8	V39 L40 C42 T50 E64 Y66	V39-I48 WeakPolarHBondContact CA-O 3.31Å; L40-I48 PolarHBondContact N-O 3.35Å; L40-I48 PolarHBondContact O-N 2.59Å; C42-I48 HydrophobicContact CB-CD1 4.43Å; C42-I48 HydrophobicContact CB-CG1 3.9Å; I48-T50 PolarHBondContact O-N 2.8Å; I48-T50 VanDerWaalsContact O-N 3.1Å; I48-T50 PolarHBondContact O-OG1 3.31Å; I48-E64 HydrophobicContact CG2-CB 3.7Å; I48-E64 HydrophobicContact CG2-CG 4.09Å; I48-Y66 HydrophobicContact CD1-CD1 4.38Å; I48-Y66 HydrophobicContact CD1-CE1 3.81Å; I48-Y66 HydrophobicContact CG1-CD1 4.18Å; I48-Y66 HydrophobicContact CG1-CE1 4.11Å
49	E	96.6	Very high	93.7	Very high	85 Å²	85	49.5 Å²	49.5	40%	0.397	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	112.1	171.7	178	177.5	-113.4	0	0	108.7	E64 R65 L67	E49-E64 CarbonylContact O-C 3.54Å; E49-E64 WeakPolarHBondContact O-CA 3.43Å; E49-R65 HydrophobicContact CB-CB 4.34Å; E49-R65 VanDerWaalsContact CD-NH2 3.34Å; E49-R65 PolarHBondContact N-O 2.87Å; E49-R65 PolarHBondContact O-N 2.99Å; E49-R65 IonicContact OE1-NH2 3.6Å; E49-R65 IonicContact OE2-CZ 3.19Å; E49-R65 IonicContact OE2-NE 2.78Å; E49-R65 PolarHBondContact OE2-NE 3.21Å; E49-R65 IonicContact OE2-NH2 2.76Å; E49-R65 PolarHBondContact OE2-NH2 3.15Å; E49-L67 HydrophobicContact CB-CD2 4Å; E49-L67 HydrophobicContact CB-CG 4.46Å
50	T	96.9	Very high	93.6	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	131.9	-171.3	-54.9	0	0	0	0	109.3	R37 G38 L40 I48 M62 N63 E64 L126	R37-T50 VanDerWaalsContact CA-O 3.26Å; R37-T50 WeakPolarHBondContact CA-O 3.17Å; G38-T50 PolarHBondContact N-O 2.87Å; G38-T50 PolarHBondContact O-N 3.27Å; L40-T50 HydrophobicContact CD1-CG2 4.21Å; I48-T50 PolarHBondContact O-N 2.8Å; I48-T50 VanDerWaalsContact O-N 3.1Å; I48-T50 PolarHBondContact O-OG1 3.31Å; T50-M62 HydrophobicContact CG2-CG 3.88Å; T50-M62 HydrophobicContact CG2-SD 3.77Å; T50-N63 CarbonylContact C-O 3.48Å; T50-N63 WeakPolarHBondContact CA-O 3.47Å; T50-E64 HydrophobicContact CG2-CG 4.32Å; T50-L126 HydrophobicContact CG2-CD1 4.28Å; T50-L126 HydrophobicContact CG2-CD2 4.12Å
51	S	95.9	Very high	93.6	Very high	14 Å²	14	46.3 Å²	46.3	10%	0.098	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.2	168.7	58.4	0	0	0	0	109.4	W36 M62 N63	W36-S51 WeakPolarHBondContact O-CA 3.35Å; S51-M62 CarbonylContact O-C 3.58Å; S51-M62 WeakPolarHBondContact O-CA 3.48Å; S51-M62 WeakPolarHBondContact O-CG 3.23Å; S51-N63 PolarHBondContact N-O 2.79Å; S51-N63 PolarHBondContact O-N 2.87Å; S51-N63 PolarHBondContact OG-O 2.81Å
52	L	96.6	Very high	93.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.5	-177.1	173	62.9	0	0	0	109.3	S35 W36 L54 W60 M62 L91 L108 L126	S35-L52 CarbonylContact C-O 3.51Å; S35-L52 VanDerWaalsContact CA-O 3.27Å; S35-L52 WeakPolarHBondContact CA-O 3.32Å; W36-L52 HydrophobicContact CE3-CB 4.14Å; W36-L52 HydrophobicContact CE3-CD2 3.89Å; W36-L52 HydrophobicContact CE3-CG 3.81Å; W36-L52 HydrophobicContact CZ3-CD2 4.37Å; W36-L52 HydrophobicContact CZ3-CG 4.25Å; W36-L52 PolarHBondContact N-O 3.42Å; W36-L52 PolarHBondContact O-N 2.89Å; L52-L54 HydrophobicContact CD1-CD2 3.98Å; L52-L54 HydrophobicContact CD2-CD2 4.31Å; L52-L54 HydrophobicContact CD2-CG 4.49Å; L52-L54 HydrophobicContact CG-CD2 4.22Å; L52-L54 HydrophobicContact CG-CG 4.43Å; L52-W60 HydrophobicContact CD1-CB 4.17Å; L52-W60 HydrophobicContact CD1-CD2 4.4Å; L52-W60 HydrophobicContact CD1-CE3 3.98Å; L52-M62 HydrophobicContact CB-CE 4.43Å; L52-M62 HydrophobicContact CD1-CB 4.34Å; L52-M62 HydrophobicContact CD1-CE 3.84Å; L52-M62 HydrophobicContact CD2-CE 4.5Å; L52-M62 HydrophobicContact CG-CE 4.47Å; L52-L91 HydrophobicContact CD1-CD1 3.83Å; L52-L91 HydrophobicContact CD2-CD1 3.97Å; L52-L108 HydrophobicContact CD2-CD1 4.13Å; L52-L126 HydrophobicContact CB-CD1 4.24Å; L52-L126 HydrophobicContact CD2-CD1 4.33Å
53	F	94.7	Very high	93.7	Very high	14 Å²	14	44.6 Å²	44.6	6%	0.061	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.4	172.6	-66.2	-91.4	0	0	0	109.2	Q34 W60 V61 S131 S132 L133	Q34-F53 CarbonylContact O-C 3.48Å; Q34-F53 WeakPolarHBondContact O-CA 3.35Å; F53-W60 CarbonylContact O-C 3.56Å; F53-W60 WeakPolarHBondContact O-CA 3.43Å; F53-W60 WeakPolarHBondContact O-CB 3.28Å; F53-V61 PolarHBondContact N-O 3.4Å; F53-V61 PolarHBondContact O-N 2.04Å; F53-S131 VanDerWaalsContact CE1-O 3.31Å; F53-S131 WeakPolarHBondContact CE1-O 3.39Å; F53-S131 WeakPolarHBondContact CE1-OG 3.42Å; F53-S131 WeakPolarHBondContact CZ-OG 3.39Å; F53-S132 WeakPolarHBondContact CZ-O 3.42Å; F53-L133 HydrophobicContact CB-CD2 4.36Å; F53-L133 HydrophobicContact CD1-CD2 4.28Å; F53-L133 HydrophobicContact CG-CD2 4.16Å
54	L	94.1	Very high	94.1	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117.2	171	-62.8	-174.8	0	0	0	109.3	M32 Q34 W36 L52 W60 W82 L89 L91	M32-L54 HydrophobicContact CE-CD1 3.33Å; Q34-L54 PolarHBondContact O-N 3.16Å; W36-L54 HydrophobicContact CE3-CG 4.21Å; W36-L54 HydrophobicContact CH2-CB 3.61Å; W36-L54 HydrophobicContact CH2-CD1 3.1Å; W36-L54 HydrophobicContact CH2-CG 3.32Å; W36-L54 HydrophobicContact CZ2-CD1 4Å; W36-L54 HydrophobicContact CZ3-CB 3.53Å; W36-L54 HydrophobicContact CZ3-CD1 3.52Å; W36-L54 HydrophobicContact CZ3-CD2 4.39Å; W36-L54 HydrophobicContact CZ3-CG 3.16Å; L52-L54 HydrophobicContact CD1-CD2 3.98Å; L52-L54 HydrophobicContact CD2-CD2 4.31Å; L52-L54 HydrophobicContact CD2-CG 4.49Å; L52-L54 HydrophobicContact CG-CD2 4.22Å; L52-L54 HydrophobicContact CG-CG 4.43Å; L54-W60 HydrophobicContact CD2-CB 3.4Å; L54-W60 HydrophobicContact CD2-CG 4.25Å; L54-W82 HydrophobicContact CD1-CD2 4.24Å; L54-W82 HydrophobicContact CD1-CE3 4.48Å; L54-W82 HydrophobicContact CD1-CG 4.43Å; L54-W82 HydrophobicContact CD2-CB 3.97Å; L54-W82 HydrophobicContact CD2-CD2 4.33Å; L54-W82 HydrophobicContact CD2-CG 3.72Å; L54-W82 HydrophobicContact CG-CG 4.44Å; L54-L89 HydrophobicContact CD1-CD1 3.88Å; L54-L89 HydrophobicContact CD1-CD2 3.59Å; L54-L89 HydrophobicContact CD1-CG 4.39Å; L54-L91 HydrophobicContact CD2-CD2 3.71Å
55	E	91.1	Very high	94.6	Very high	41 Å²	41	38.5 Å²	38.5	19%	0.192	19%	0.187	C	C	.	.			trans	-87	147.2	-179.7	-66.7	-75.4	-166.8	0	0	110.9	D57 G58 T59 W82 K206	E55-D57 WeakPolarHBondContact CB-OD1 3.32Å; E55-D57 PolarHBondContact O-N 2.93Å; E55-D57 VanDerWaalsContact O-N 3.13Å; E55-G58 PolarHBondContact O-N 2.97Å; E55-T59 WeakPolarHBondContact CA-O 3.46Å; E55-T59 VanDerWaalsContact CB-O 3.29Å; E55-T59 WeakPolarHBondContact CB-O 3.15Å; E55-T59 PolarHBondContact N-O 2.98Å; E55-W82 VanDerWaalsContact O-CZ2 3.29Å; E55-W82 WeakPolarHBondContact O-CZ2 3.39Å; E55-W82 PolarHBondContact O-NE1 3.31Å; E55-K206 IonicContact OE1-NZ 3.8Å
56	K	89.3	Confident	94.9	Very high	180 Å²	180	40.9 Å²	40.9	78%	0.783	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-19.9	179.9	-67.6	178.7	-177.9	175.1	0	113.1	G58	K56-G58 PolarHBondContact O-N 3.35Å
57	D	90.9	Very high	95	Very high	58 Å²	58	34.6 Å²	34.6	31%	0.31	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-2.1	177.2	68.2	1.9	0	0	0	113.3	E55 T59 K160 K206	E55-D57 WeakPolarHBondContact CB-OD1 3.32Å; E55-D57 PolarHBondContact O-N 2.93Å; E55-D57 VanDerWaalsContact O-N 3.13Å; D57-T59 WeakPolarHBondContact OD1-CB 3.22Å; D57-T59 PolarHBondContact OD1-N 3.29Å; D57-T59 PolarHBondContact OD1-OG1 3.09Å; D57-T59 PolarHBondContact OD2-OG1 3.13Å; D57-K160 WeakPolarHBondContact O-CE 3.12Å; D57-K160 PolarHBondContact O-NZ 2.87Å; D57-K206 IonicContact OD2-NZ 3.69Å
58	G	93.9	Very high	94.8	Very high	20 Å²	20	36.9 Å²	36.9	21%	0.206	19%	0.187	C	C	.	.	S	Bend	trans	89.5	9.6	-177.2	0	0	0	0	0	114.1	E55 K56 T81 W82	E55-G58 PolarHBondContact O-N 2.97Å; K56-G58 PolarHBondContact O-N 3.35Å; G58-T81 CarbonylContact O-C 3.49Å; G58-T81 VanDerWaalsContact O-CA 3.29Å; G58-T81 WeakPolarHBondContact O-CA 3.2Å; G58-W82 PolarHBondContact O-N 2.97Å
59	T	95.4	Very high	94.3	Very high	4 Å²	4	37.8 Å²	37.8	3%	0.025	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	159.7	172	63	0	0	0	0	112.6	E55 D57 G80 W82 T158 K160 F162 K206	E55-T59 WeakPolarHBondContact CA-O 3.46Å; E55-T59 VanDerWaalsContact CB-O 3.29Å; E55-T59 WeakPolarHBondContact CB-O 3.15Å; E55-T59 PolarHBondContact N-O 2.98Å; D57-T59 WeakPolarHBondContact OD1-CB 3.22Å; D57-T59 PolarHBondContact OD1-N 3.29Å; D57-T59 PolarHBondContact OD1-OG1 3.09Å; D57-T59 PolarHBondContact OD2-OG1 3.13Å; T59-G80 CarbonylContact C-O 3.56Å; T59-G80 WeakPolarHBondContact CA-O 3.11Å; T59-G80 WeakPolarHBondContact CB-O 3.01Å; T59-W82 PolarHBondContact O-NE1 3.14Å; T59-T158 HydrophobicContact CG2-CG2 4.1Å; T59-K160 HydrophobicContact CG2-CB 4.34Å; T59-K160 HydrophobicContact CG2-CD 4.49Å; T59-K160 HydrophobicContact CG2-CG 3.46Å; T59-K160 VanDerWaalsContact CG2-CG 3.46Å; T59-F162 HydrophobicContact CG2-CZ 4.39Å; T59-K206 PolarHBondContact OG1-NZ 2.88Å
60	W	96.2	Very high	93.6	Very high	9 Å²	9	45.7 Å²	45.7	3%	0.034	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	156.8	173.9	64.5	-91.1	0	0	0	111.3	L52 F53 L54 M62 S78 Y79 G80 T81 L91 T92 D93	L52-W60 HydrophobicContact CD1-CB 4.17Å; L52-W60 HydrophobicContact CD1-CD2 4.4Å; L52-W60 HydrophobicContact CD1-CE3 3.98Å; F53-W60 CarbonylContact O-C 3.56Å; F53-W60 WeakPolarHBondContact O-CA 3.43Å; F53-W60 WeakPolarHBondContact O-CB 3.28Å; L54-W60 HydrophobicContact CD2-CB 3.4Å; L54-W60 HydrophobicContact CD2-CG 4.25Å; W60-M62 HydrophobicContact CE3-CB 3.78Å; W60-M62 HydrophobicContact CH2-CB 4.45Å; W60-M62 HydrophobicContact CZ3-CB 3.36Å; W60-M62 HydrophobicContact CZ3-CE 4.42Å; W60-S78 WeakPolarHBondContact CH2-OG 3.48Å; W60-S78 WeakPolarHBondContact CZ3-O 3.23Å; W60-S78 WeakPolarHBondContact CZ3-OG 3.22Å; W60-Y79 WeakPolarHBondContact O-CA 3.28Å; W60-Y79 VanDerWaalsContact O-CB 3.29Å; W60-Y79 WeakPolarHBondContact O-CB 3.24Å; W60-G80 VanDerWaalsContact CD1-C 3.42Å; W60-G80 PolarHBondContact N-O 3.12Å; W60-G80 PolarHBondContact O-N 2.8Å; W60-G80 VanDerWaalsContact O-N 3.09Å; W60-T81 PolarHBondContact NE1-O 2.81Å; W60-L91 HydrophobicContact CD2-CB 4.49Å; W60-L91 HydrophobicContact CD2-CD1 4.34Å; W60-L91 HydrophobicContact CG-CD2 4.18Å; W60-L91 HydrophobicContact CZ2-CB 4.09Å; W60-T92 PolarHBondContact NE1-O 2.66Å; W60-D93 HydrophobicContact CH2-CB 3.99Å; W60-D93 HydrophobicContact CZ2-CB 3.7Å
61	V	96.1	Very high	92.9	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	133.1	170.8	-170.5	0	0	0	0	107.8	F53 S78 P134 M138 F193	F53-V61 PolarHBondContact N-O 3.4Å; F53-V61 PolarHBondContact O-N 2.04Å; V61-S78 CarbonylContact C-O 3.56Å; V61-S78 WeakPolarHBondContact CA-O 3.5Å; V61-P134 HydrophobicContact CB-CG 4.38Å; V61-P134 HydrophobicContact CG1-CG 3.42Å; V61-P134 VanDerWaalsContact CG1-CG 3.42Å; V61-M138 HydrophobicContact CG1-CE 3.89Å; V61-F193 HydrophobicContact CG2-CD2 3.66Å; V61-F193 HydrophobicContact CG2-CE2 4.03Å
62	M	96.4	Very high	92.6	Very high	7 Å²	7	59.9 Å²	59.9	3%	0.034	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	143.7	175.7	-168	-177.9	-69.9	0	0	109.5	T50 S51 L52 W60 E64 A77 S78 L91	T50-M62 HydrophobicContact CG2-CG 3.88Å; T50-M62 HydrophobicContact CG2-SD 3.77Å; S51-M62 CarbonylContact O-C 3.58Å; S51-M62 WeakPolarHBondContact O-CA 3.48Å; S51-M62 WeakPolarHBondContact O-CG 3.23Å; L52-M62 HydrophobicContact CB-CE 4.43Å; L52-M62 HydrophobicContact CD1-CB 4.34Å; L52-M62 HydrophobicContact CD1-CE 3.84Å; L52-M62 HydrophobicContact CD2-CE 4.5Å; L52-M62 HydrophobicContact CG-CE 4.47Å; W60-M62 HydrophobicContact CE3-CB 3.78Å; W60-M62 HydrophobicContact CH2-CB 4.45Å; W60-M62 HydrophobicContact CZ3-CB 3.36Å; W60-M62 HydrophobicContact CZ3-CE 4.42Å; M62-E64 HydrophobicContact CG-CG 4.11Å; M62-E64 HydrophobicContact SD-CG 3.93Å; M62-A77 VanDerWaalsContact O-CA 3.24Å; M62-A77 WeakPolarHBondContact O-CA 3.3Å; M62-S78 PolarHBondContact N-O 3.09Å; M62-S78 PolarHBondContact O-N 2.98Å; M62-L91 HydrophobicContact CE-CD1 3.69Å
63	N	96	Very high	92.3	Very high	20 Å²	20	63.9 Å²	63.9	11%	0.107	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.7	165.8	175.5	92.7	0	0	0	109.7	T50 S51 F76 P134 T136	T50-N63 CarbonylContact C-O 3.48Å; T50-N63 WeakPolarHBondContact CA-O 3.47Å; S51-N63 PolarHBondContact N-O 2.79Å; S51-N63 PolarHBondContact O-N 2.87Å; S51-N63 PolarHBondContact OG-O 2.81Å; N63-F76 WeakPolarHBondContact CA-O 3.49Å; N63-P134 HydrophobicContact CB-CB 3.53Å; N63-P134 HydrophobicContact CB-CG 4.12Å; N63-T136 WeakPolarHBondContact OD1-CB 3.34Å; N63-T136 PolarHBondContact OD1-OG1 3.39Å
64	E	96.1	Very high	92.2	Very high	49 Å²	49	64.1 Å²	64.1	23%	0.229	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124.7	-178.8	-67	179.8	118.7	0	0	109	I48 E49 T50 M62 S75 F76	I48-E64 HydrophobicContact CG2-CB 3.7Å; I48-E64 HydrophobicContact CG2-CG 4.09Å; E49-E64 CarbonylContact O-C 3.54Å; E49-E64 WeakPolarHBondContact O-CA 3.43Å; T50-E64 HydrophobicContact CG2-CG 4.32Å; M62-E64 HydrophobicContact CG-CG 4.11Å; M62-E64 HydrophobicContact SD-CG 3.93Å; E64-S75 CarbonylContact O-C 3.53Å; E64-S75 WeakPolarHBondContact O-CA 3.03Å; E64-F76 PolarHBondContact N-O 2.96Å; E64-F76 PolarHBondContact O-N 3.4Å
65	R	95.8	Very high	92.2	Very high	85 Å²	85	65.5 Å²	65.5	32%	0.321	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	119.3	175.1	-177.3	178.4	68.9	82.6	-0.8	110.1	E49 L67 S74 S75	E49-R65 HydrophobicContact CB-CB 4.34Å; E49-R65 VanDerWaalsContact CD-NH2 3.34Å; E49-R65 PolarHBondContact N-O 2.87Å; E49-R65 PolarHBondContact O-N 2.99Å; E49-R65 IonicContact OE1-NH2 3.6Å; E49-R65 IonicContact OE2-CZ 3.19Å; E49-R65 IonicContact OE2-NE 2.78Å; E49-R65 PolarHBondContact OE2-NE 3.21Å; E49-R65 IonicContact OE2-NH2 2.76Å; E49-R65 PolarHBondContact OE2-NH2 3.15Å; R65-L67 PolarHBondContact O-N 2.84Å; R65-S74 CarbonylContact C-O 3.54Å; R65-S74 WeakPolarHBondContact CA-O 3.24Å; R65-S75 VanDerWaalsContact CG-OG 3.31Å; R65-S75 WeakPolarHBondContact CG-OG 3.09Å
66	Y	95.4	Very high	92.4	Very high	82 Å²	82	68.2 Å²	68.2	32%	0.322	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	114.5	178.7	-71.1	-101.3	0	0	0	109.7	I48 A69 S74 F76	I48-Y66 HydrophobicContact CD1-CD1 4.38Å; I48-Y66 HydrophobicContact CD1-CE1 3.81Å; I48-Y66 HydrophobicContact CG1-CD1 4.18Å; I48-Y66 HydrophobicContact CG1-CE1 4.11Å; Y66-A69 WeakPolarHBondContact O-CB 3.43Å; Y66-S74 PolarHBondContact N-O 2.78Å; Y66-F76 AromaticContact CD2-CD2 3.85Å; Y66-F76 HydrophobicContact CD2-CD2 3.85Å; Y66-F76 AromaticContact CD2-CE2 3.85Å; Y66-F76 HydrophobicContact CD2-CE2 3.85Å; Y66-F76 AromaticContact CE2-CD2 3.7Å; Y66-F76 HydrophobicContact CE2-CD2 3.7Å; Y66-F76 AromaticContact CE2-CE2 3.91Å; Y66-F76 HydrophobicContact CE2-CE2 3.91Å
67	L	95.6	Very high	92.7	Very high	28 Å²	28	60.6 Å²	60.6	15%	0.147	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	130.2	-178.9	-57.2	-176.4	0	0	0	110.3	V39 C45 E46 G47 E49 R65 A69	V39-L67 HydrophobicContact CG1-CD1 3.75Å; V39-L67 HydrophobicContact CG2-CD1 4.32Å; C45-L67 WeakPolarHBondContact CB-O 3.07Å; E46-L67 HydrophobicContact CB-CB 3.82Å; E46-L67 PolarHBondContact N-O 3.46Å; E46-L67 VanDerWaalsContact N-O 3.08Å; G47-L67 VanDerWaalsContact O-CB 3.27Å; G47-L67 WeakPolarHBondContact O-CB 3.47Å; G47-L67 VanDerWaalsContact O-CG 3.3Å; G47-L67 WeakPolarHBondContact O-CG 3.38Å; G47-L67 PolarHBondContact O-N 2.98Å; E49-L67 HydrophobicContact CB-CD2 4Å; E49-L67 HydrophobicContact CB-CG 4.46Å; R65-L67 PolarHBondContact O-N 2.84Å; L67-A69 VanDerWaalsContact C-N 3.28Å; L67-A69 PolarHBondContact O-N 3.5Å
68	G	91.4	Very high	93	Very high	49 Å²	49	59.2 Å²	59.2	51%	0.505	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	12.4	-177.9	0	0	0	0	0	114.4	R70	G68-R70 PolarHBondContact O-N 2.85Å
69	A	86	Confident	93.1	Very high	40 Å²	40	58.7 Å²	58.7	33%	0.331	30%	0.297	S	S	.	.			trans	-58.3	132.8	174.3	0	0	0	0	0	110.8	Y66 L67	Y66-A69 WeakPolarHBondContact O-CB 3.43Å; L67-A69 VanDerWaalsContact C-N 3.28Å; L67-A69 PolarHBondContact O-N 3.5Å
70	R	82.8	Confident	93.2	Very high	251 Å²	251	58.6 Å²	58.6	95%	0.947	30%	0.296	S	S	*	.	S	Bend	trans	-88.9	-18.7	177.5	-65	-178	-178.1	172.9	1.8	112.9	G68	G68-R70 PolarHBondContact O-N 2.85Å
71	E	82.4	Confident	93.3	Very high	165 Å²	165	60.5 Å²	60.5	77%	0.771	31%	0.309	S	S	*	.	S	Bend	trans	-117	144.3	-175.6	-63.7	-177.6	-178.6	0	0	109.5
72	E	87.9	Confident	93.4	Very high	148 Å²	148	63.4 Å²	63.4	69%	0.692	32%	0.32	S	S	*	.	S	Bend	trans	-100.1	149.2	173.6	-68	-63.6	161.4	0	0	110	S74	E72-S74 PolarHBondContact OE1-OG 3.09Å; E72-S74 PolarHBondContact OE2-N 3.04Å; E72-S74 PolarHBondContact OE2-OG 3.15Å
73	P	90	Very high	93.3	Very high	85 Å²	85	66 Å²	66	55%	0.552	34%	0.342	S	S	*	.			cis	-74.7	136.9	0.4	30.6	-33.8	0	0	0	112.2	F76	P73-F76 HydrophobicContact CG-CE1 3.76Å; P73-F76 HydrophobicContact CG-CZ 3.96Å; P73-F76 VanDerWaalsContact O-CE2 3.25Å; P73-F76 WeakPolarHBondContact O-CE2 3.37Å; P73-F76 WeakPolarHBondContact O-CZ 3.4Å
74	S	92.6	Very high	93.2	Very high	19 Å²	19	68.2 Å²	68.2	13%	0.133	35%	0.349	C	S	.	.			trans	-89	-12.2	175.3	56.8	0	0	0	0	113.2	R65 Y66 E72	R65-S74 CarbonylContact C-O 3.54Å; R65-S74 WeakPolarHBondContact CA-O 3.24Å; Y66-S74 PolarHBondContact N-O 2.78Å; E72-S74 PolarHBondContact OE1-OG 3.09Å; E72-S74 PolarHBondContact OE2-N 3.04Å; E72-S74 PolarHBondContact OE2-OG 3.15Å
75	S	94.6	Very high	92.8	Very high	34 Å²	34	69.5 Å²	69.5	24%	0.238	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	137.5	-179.9	-55.4	0	0	0	0	111.7	E64 R65	E64-S75 CarbonylContact O-C 3.53Å; E64-S75 WeakPolarHBondContact O-CA 3.03Å; R65-S75 VanDerWaalsContact CG-OG 3.31Å; R65-S75 WeakPolarHBondContact CG-OG 3.09Å
76	F	95	Very high	92.3	Very high	98 Å²	98	68.9 Å²	68.9	43%	0.43	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	140.8	-179.5	-56.5	-90	0	0	0	109.7	N63 E64 Y66 P73	N63-F76 WeakPolarHBondContact CA-O 3.49Å; E64-F76 PolarHBondContact N-O 2.96Å; E64-F76 PolarHBondContact O-N 3.4Å; Y66-F76 AromaticContact CD2-CD2 3.85Å; Y66-F76 HydrophobicContact CD2-CD2 3.85Å; Y66-F76 AromaticContact CD2-CE2 3.85Å; Y66-F76 HydrophobicContact CD2-CE2 3.85Å; Y66-F76 AromaticContact CE2-CD2 3.7Å; Y66-F76 HydrophobicContact CE2-CD2 3.7Å; Y66-F76 AromaticContact CE2-CE2 3.91Å; Y66-F76 HydrophobicContact CE2-CE2 3.91Å; P73-F76 HydrophobicContact CG-CE1 3.76Å; P73-F76 HydrophobicContact CG-CZ 3.96Å; P73-F76 VanDerWaalsContact O-CE2 3.25Å; P73-F76 WeakPolarHBondContact O-CE2 3.37Å; P73-F76 WeakPolarHBondContact O-CZ 3.4Å
77	A	95.7	Very high	92	Very high	20 Å²	20	71 Å²	71	17%	0.165	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	147.6	171.8	0	0	0	0	0	111.6	M62 T136 M138	M62-A77 VanDerWaalsContact O-CA 3.24Å; M62-A77 WeakPolarHBondContact O-CA 3.3Å; A77-T136 HydrophobicContact CB-CG2 3.96Å; A77-T136 WeakPolarHBondContact CB-O 3.29Å; A77-M138 HydrophobicContact CB-CB 4.17Å
78	S	96.8	Very high	91.9	Very high	30 Å²	30	73 Å²	73	21%	0.21	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	161.4	173.9	61.2	0	0	0	0	109.7	W60 V61 M62	W60-S78 WeakPolarHBondContact CH2-OG 3.48Å; W60-S78 WeakPolarHBondContact CZ3-O 3.23Å; W60-S78 WeakPolarHBondContact CZ3-OG 3.22Å; V61-S78 CarbonylContact C-O 3.56Å; V61-S78 WeakPolarHBondContact CA-O 3.5Å; M62-S78 PolarHBondContact N-O 3.09Å; M62-S78 PolarHBondContact O-N 2.98Å
79	Y	97	Very high	92.2	Very high	9 Å²	9	70.8 Å²	70.8	4%	0.035	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	166.9	-179.3	76.1	-75.4	0	0	0	109.9	W60 D93 S94 M138 L140 D155 T158	W60-Y79 WeakPolarHBondContact O-CA 3.28Å; W60-Y79 VanDerWaalsContact O-CB 3.29Å; W60-Y79 WeakPolarHBondContact O-CB 3.24Å; Y79-D93 CarbonylContact O-C 3.57Å; Y79-D93 WeakPolarHBondContact O-CA 3.39Å; Y79-S94 PolarHBondContact O-N 3.46Å; Y79-M138 HydrophobicContact CD1-CG 3.99Å; Y79-M138 HydrophobicContact CD1-SD 3.39Å; Y79-M138 WeakPolarHBondContact CD1-SD 3.32Å; Y79-M138 HydrophobicContact CE1-CG 4.34Å; Y79-M138 HydrophobicContact CE1-SD 4.23Å; Y79-M138 HydrophobicContact CG-SD 3.76Å; Y79-L140 HydrophobicContact CE1-CD2 4.2Å; Y79-L140 HydrophobicContact CE1-CG 3.89Å; Y79-L140 HydrophobicContact CE2-CD2 4.23Å; Y79-D155 WeakPolarHBondContact CE2-OD2 3.46Å; Y79-D155 PolarHBondContact OH-OD1 3.03Å; Y79-T158 HydrophobicContact CD2-CG2 4.18Å; Y79-T158 HydrophobicContact CE2-CG2 4.14Å
80	G	97.5	Very high	92.7	Very high	1 Å²	1	70.2 Å²	70.2	1%	0.01	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.7	-147.6	172.5	0	0	0	0	0	112.6	T59 W60 T92	T59-G80 CarbonylContact C-O 3.56Å; T59-G80 WeakPolarHBondContact CA-O 3.11Å; T59-G80 WeakPolarHBondContact CB-O 3.01Å; W60-G80 VanDerWaalsContact CD1-C 3.42Å; W60-G80 PolarHBondContact N-O 3.12Å; W60-G80 PolarHBondContact O-N 2.8Å; W60-G80 VanDerWaalsContact O-N 3.09Å; G80-T92 CarbonylContact C-O 3.57Å; G80-T92 VanDerWaalsContact CA-O 3.26Å; G80-T92 WeakPolarHBondContact CA-O 3.47Å
81	T	98.1	Very high	93.4	Very high	49 Å²	49	58.3 Å²	58.3	30%	0.301	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	148.3	177.9	60.7	0	0	0	0	111.7	G58 W60 T92 T158	G58-T81 CarbonylContact O-C 3.49Å; G58-T81 VanDerWaalsContact O-CA 3.29Å; G58-T81 WeakPolarHBondContact O-CA 3.2Å; W60-T81 PolarHBondContact NE1-O 2.81Å; T81-T92 PolarHBondContact N-O 2.84Å; T81-T92 PolarHBondContact O-N 3.23Å; T81-T158 HydrophobicContact CG2-CG2 3.84Å
82	W	97.3	Very high	94.2	Very high	63 Å²	63	52 Å²	52	24%	0.239	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	149.2	172	65.4	-88.6	0	0	0	111.3	L54 E55 G58 T59 R84 L89 V90 L91	L54-W82 HydrophobicContact CD1-CD2 4.24Å; L54-W82 HydrophobicContact CD1-CE3 4.48Å; L54-W82 HydrophobicContact CD1-CG 4.43Å; L54-W82 HydrophobicContact CD2-CB 3.97Å; L54-W82 HydrophobicContact CD2-CD2 4.33Å; L54-W82 HydrophobicContact CD2-CG 3.72Å; L54-W82 HydrophobicContact CG-CG 4.44Å; E55-W82 VanDerWaalsContact O-CZ2 3.29Å; E55-W82 WeakPolarHBondContact O-CZ2 3.39Å; E55-W82 PolarHBondContact O-NE1 3.31Å; G58-W82 PolarHBondContact O-N 2.97Å; T59-W82 PolarHBondContact O-NE1 3.14Å; W82-R84 HydrophobicContact CE3-CB 4.26Å; W82-R84 HydrophobicContact CZ3-CB 3.92Å; W82-L89 HydrophobicContact CB-CD1 4.12Å; W82-L89 HydrophobicContact CD2-CD1 4.32Å; W82-L89 HydrophobicContact CE3-CD1 3.71Å; W82-V90 CarbonylContact C-O 3.55Å; W82-V90 VanDerWaalsContact CA-O 3.23Å; W82-V90 WeakPolarHBondContact CA-O 3.3Å; W82-L91 HydrophobicContact CB-CD2 3.58Å
83	A	95.7	Very high	94.7	Very high	61 Å²	61	46.7 Å²	46.7	50%	0.504	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	141.2	172.4	0	0	0	0	0	109.3	V90	A83-V90 PolarHBondContact N-O 2.74Å; A83-V90 PolarHBondContact O-N 2.97Å
84	R	93.1	Very high	94.9	Very high	67 Å²	67	44.5 Å²	44.5	25%	0.253	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.7	179.2	-177	175.1	179.5	-162.2	2.6	110.5	L29 K30 W82 K88 L89	L29-R84 HydrophobicContact CD1-CG 4.43Å; K30-R84 PolarHBondContact O-NH1 3.42Å; W82-R84 HydrophobicContact CE3-CB 4.26Å; W82-R84 HydrophobicContact CZ3-CB 3.92Å; R84-K88 WeakPolarHBondContact CA-O 3.31Å; R84-L89 HydrophobicContact CB-CD1 4.31Å
85	T	88.6	Confident	95	Very high	75 Å²	75	52 Å²	52	46%	0.46	29%	0.288	S	S	.	.			trans	-107	-177.6	168.9	62.3	0	0	0	0	109.3	D87 K88	T85-D87 PolarHBondContact O-N 3.04Å; T85-D87 PolarHBondContact OG1-N 2.84Å; T85-K88 PolarHBondContact N-O 2.88Å; T85-K88 PolarHBondContact OG1-N 3.12Å; T85-K88 PolarHBondContact OG1-O 2.85Å
86	A	85.7	Confident	95.1	Very high	73 Å²	73	52.5 Å²	52.5	60%	0.603	30%	0.299	S	S	*	.	S	Bend	trans	-57.3	-36.6	173.2	0	0	0	0	0	112.2
87	D	87.6	Confident	95.1	Very high	126 Å²	126	54.2 Å²	54.2	67%	0.674	31%	0.308	S	S	*	.	S	Bend	trans	-105.9	-33	-170.4	-59	-30.5	0	0	0	113.8	T85 R102	T85-D87 PolarHBondContact O-N 3.04Å; T85-D87 PolarHBondContact OG1-N 2.84Å; D87-R102 VanDerWaalsContact O-CB 3.3Å; D87-R102 WeakPolarHBondContact O-CB 3.03Å
88	K	94.5	Very high	95.2	Very high	69 Å²	69	58.8 Å²	58.8	30%	0.3	32%	0.324	S	S	.	.			trans	-130.7	143.4	-168.4	-57.1	-173.9	-169.2	-175.5	0	112.6	R84 T85 Y101 L111 G115	R84-K88 WeakPolarHBondContact CA-O 3.31Å; T85-K88 PolarHBondContact N-O 2.88Å; T85-K88 PolarHBondContact OG1-N 3.12Å; T85-K88 PolarHBondContact OG1-O 2.85Å; K88-Y101 CarbonylContact C-O 3.52Å; K88-Y101 WeakPolarHBondContact CA-O 3.47Å; K88-L111 HydrophobicContact CD-CD1 4.3Å; K88-L111 HydrophobicContact CG-CD1 4.27Å; K88-G115 WeakPolarHBondContact CE-O 3.32Å; K88-G115 PolarHBondContact NZ-O 2.83Å
89	L	96.6	Very high	95.2	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.016	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128.1	160.6	171.9	68.4	0	0	0	107.9	M32 L54 W82 R84 L91 Y101 L108	M32-L89 HydrophobicContact CE-CD1 4.36Å; M32-L89 HydrophobicContact CE-CD2 4.45Å; L54-L89 HydrophobicContact CD1-CD1 3.88Å; L54-L89 HydrophobicContact CD1-CD2 3.59Å; L54-L89 HydrophobicContact CD1-CG 4.39Å; W82-L89 HydrophobicContact CB-CD1 4.12Å; W82-L89 HydrophobicContact CD2-CD1 4.32Å; W82-L89 HydrophobicContact CE3-CD1 3.71Å; R84-L89 HydrophobicContact CB-CD1 4.31Å; L89-L91 HydrophobicContact CD1-CD2 4.24Å; L89-L91 HydrophobicContact CD2-CD2 4.18Å; L89-L91 HydrophobicContact CG-CD2 4.07Å; L89-Y101 PolarHBondContact N-O 2.85Å; L89-Y101 PolarHBondContact O-N 2.85Å; L89-L108 HydrophobicContact CD2-CD1 3.79Å; L89-L108 HydrophobicContact CD2-CD2 4.21Å
90	V	97.8	Very high	95.3	Very high	29 Å²	29	61.4 Å²	61.4	18%	0.176	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.4	177.8	-173.3	0	0	0	0	108	W82 A83 K98 Y100	W82-V90 CarbonylContact C-O 3.55Å; W82-V90 VanDerWaalsContact CA-O 3.23Å; W82-V90 WeakPolarHBondContact CA-O 3.3Å; A83-V90 PolarHBondContact N-O 2.74Å; A83-V90 PolarHBondContact O-N 2.97Å; V90-K98 HydrophobicContact CG1-CD 4.28Å; V90-K98 HydrophobicContact CG1-CG 4.46Å; V90-Y100 HydrophobicContact CG1-CD1 4.24Å; V90-Y100 HydrophobicContact CG1-CE1 4Å; V90-Y100 HydrophobicContact CG2-CD1 3.96Å; V90-Y100 HydrophobicContact CG2-CE1 4.12Å
91	L	98.2	Very high	95.3	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.6	168.7	-51.5	-171.8	0	0	0	107.6	L52 L54 W60 M62 W82 L89 K98 S99 Y101	L52-L91 HydrophobicContact CD1-CD1 3.83Å; L52-L91 HydrophobicContact CD2-CD1 3.97Å; L54-L91 HydrophobicContact CD2-CD2 3.71Å; W60-L91 HydrophobicContact CD2-CB 4.49Å; W60-L91 HydrophobicContact CD2-CD1 4.34Å; W60-L91 HydrophobicContact CG-CD2 4.18Å; W60-L91 HydrophobicContact CZ2-CB 4.09Å; M62-L91 HydrophobicContact CE-CD1 3.69Å; W82-L91 HydrophobicContact CB-CD2 3.58Å; L89-L91 HydrophobicContact CD1-CD2 4.24Å; L89-L91 HydrophobicContact CD2-CD2 4.18Å; L89-L91 HydrophobicContact CG-CD2 4.07Å; L91-K98 VanDerWaalsContact O-CA 3.24Å; L91-K98 WeakPolarHBondContact O-CA 3.44Å; L91-S99 PolarHBondContact N-O 2.95Å; L91-S99 PolarHBondContact O-N 2.84Å; L91-Y101 HydrophobicContact CD1-CD2 4.18Å; L91-Y101 HydrophobicContact CD1-CE2 3.65Å; L91-Y101 HydrophobicContact CG-CD2 4.21Å; L91-Y101 HydrophobicContact CG-CE2 4.1Å
92	T	98.2	Very high	95.2	Very high	33 Å²	33	63.4 Å²	63.4	20%	0.202	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	117.8	169.2	-55.5	0	0	0	0	107.2	W60 G80 T81 E97 K98	W60-T92 PolarHBondContact NE1-O 2.66Å; G80-T92 CarbonylContact C-O 3.57Å; G80-T92 VanDerWaalsContact CA-O 3.26Å; G80-T92 WeakPolarHBondContact CA-O 3.47Å; T81-T92 PolarHBondContact N-O 2.84Å; T81-T92 PolarHBondContact O-N 3.23Å; T92-E97 CarbonylContact C-O 3.57Å; T92-E97 VanDerWaalsContact CA-O 3.29Å; T92-E97 WeakPolarHBondContact CA-O 3.33Å; T92-K98 HydrophobicContact CG2-CG 4.46Å
93	D	97.4	Very high	95	Very high	35 Å²	35	63.2 Å²	63.2	19%	0.187	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	177.8	-178.1	81.7	-2	0	0	0	112.3	W60 Y79 K95 G96 E97	W60-D93 HydrophobicContact CH2-CB 3.99Å; W60-D93 HydrophobicContact CZ2-CB 3.7Å; Y79-D93 CarbonylContact O-C 3.57Å; Y79-D93 WeakPolarHBondContact O-CA 3.39Å; D93-K95 PolarHBondContact O-N 2.88Å; D93-K95 VanDerWaalsContact O-N 3.12Å; D93-K95 VanDerWaalsContact OD1-CA 3.31Å; D93-K95 WeakPolarHBondContact OD1-CA 3.31Å; D93-K95 WeakPolarHBondContact OD1-CB 3.39Å; D93-K95 PolarHBondContact OD1-N 2.63Å; D93-G96 PolarHBondContact O-N 2.84Å; D93-G96 PolarHBondContact OD1-N 2.86Å; D93-E97 PolarHBondContact N-O 2.88Å; D93-E97 PolarHBondContact OD1-N 3.25Å
94	S	95.4	Very high	94.8	Very high	40 Å²	40	65.8 Å²	65.8	28%	0.28	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-11	-178.9	64	0	0	0	0	114.6	Y79	Y79-S94 PolarHBondContact O-N 3.46Å
95	K	94.7	Very high	94.7	Very high	177 Å²	177	66 Å²	66	77%	0.77	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-6.5	176.3	-58.5	173	-173.9	169.8	0	112.2	D93	D93-K95 PolarHBondContact O-N 2.88Å; D93-K95 VanDerWaalsContact O-N 3.12Å; D93-K95 VanDerWaalsContact OD1-CA 3.31Å; D93-K95 WeakPolarHBondContact OD1-CA 3.31Å; D93-K95 WeakPolarHBondContact OD1-CB 3.39Å; D93-K95 PolarHBondContact OD1-N 2.63Å
96	G	95.3	Very high	94.8	Very high	44 Å²	44	69.1 Å²	69.1	45%	0.454	39%	0.388	S	S	.	.	S	Bend	trans	92.4	2.3	-179.1	0	0	0	0	0	114.5	D93	D93-G96 PolarHBondContact O-N 2.84Å; D93-G96 PolarHBondContact OD1-N 2.86Å
97	E	96.6	Very high	95.2	Very high	134 Å²	134	66 Å²	66	63%	0.626	36%	0.362	S	S	*	.			trans	-72.9	144.6	177.4	-64.2	-59.2	141.4	0	0	110.7	T92 D93	T92-E97 CarbonylContact C-O 3.57Å; T92-E97 VanDerWaalsContact CA-O 3.29Å; T92-E97 WeakPolarHBondContact CA-O 3.33Å; D93-E97 PolarHBondContact N-O 2.88Å; D93-E97 PolarHBondContact OD1-N 3.25Å
98	K	97.5	Very high	95.6	Very high	115 Å²	115	60.1 Å²	60.1	50%	0.5	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136.8	-173.8	-67.4	-178.1	-178.4	175	0	112.8	V90 L91 T92 Y100	V90-K98 HydrophobicContact CG1-CD 4.28Å; V90-K98 HydrophobicContact CG1-CG 4.46Å; L91-K98 VanDerWaalsContact O-CA 3.24Å; L91-K98 WeakPolarHBondContact O-CA 3.44Å; T92-K98 HydrophobicContact CG2-CG 4.46Å; K98-Y100 HydrophobicContact CB-CE2 3.91Å; K98-Y100 WeakPolarHBondContact CD-OH 3.32Å
99	S	97.6	Very high	95.7	Very high	47 Å²	47	57.9 Å²	57.9	33%	0.329	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.6	167.8	-61.2	0	0	0	0	109.7	L91	L91-S99 PolarHBondContact N-O 2.95Å; L91-S99 PolarHBondContact O-N 2.84Å
100	Y	98.1	Very high	95.8	Very high	48 Å²	48	60 Å²	60	19%	0.188	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136.9	-172.3	-59.3	-89.3	0	0	0	109.8	V90 K98 L111 D112 R113	V90-Y100 HydrophobicContact CG1-CD1 4.24Å; V90-Y100 HydrophobicContact CG1-CE1 4Å; V90-Y100 HydrophobicContact CG2-CD1 3.96Å; V90-Y100 HydrophobicContact CG2-CE1 4.12Å; K98-Y100 HydrophobicContact CB-CE2 3.91Å; K98-Y100 WeakPolarHBondContact CD-OH 3.32Å; Y100-L111 PolarHBondContact O-N 3.21Å; Y100-D112 WeakPolarHBondContact CD2-O 3.35Å; Y100-R113 WeakPolarHBondContact CE2-O 3.29Å
101	Y	97.9	Very high	95.8	Very high	3 Å²	3	59 Å²	59	1%	0.012	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	160	175.3	-63.7	-99.5	0	0	0	109.6	K88 L89 L91 L108 E109 M110 L126	K88-Y101 CarbonylContact C-O 3.52Å; K88-Y101 WeakPolarHBondContact CA-O 3.47Å; L89-Y101 PolarHBondContact N-O 2.85Å; L89-Y101 PolarHBondContact O-N 2.85Å; L91-Y101 HydrophobicContact CD1-CD2 4.18Å; L91-Y101 HydrophobicContact CD1-CE2 3.65Å; L91-Y101 HydrophobicContact CG-CD2 4.21Å; L91-Y101 HydrophobicContact CG-CE2 4.1Å; Y101-L108 HydrophobicContact CD1-CB 4.13Å; Y101-E109 CarbonylContact C-O 3.6Å; Y101-E109 WeakPolarHBondContact CA-O 3.33Å; Y101-M110 HydrophobicContact CD1-CB 3.99Å; Y101-M110 HydrophobicContact CE1-CB 3.7Å; Y101-M110 HydrophobicContact CE1-CG 4.02Å; Y101-L126 HydrophobicContact CE1-CD1 3.9Å; Y101-L126 HydrophobicContact CE1-CG 4.41Å
102	R	95.5	Very high	95.7	Very high	88 Å²	88	61.1 Å²	61.1	33%	0.332	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	156.5	164	66.5	-178.6	176.6	177.4	-1.3	110.6	D87 L108 E109 L111	D87-R102 VanDerWaalsContact O-CB 3.3Å; D87-R102 WeakPolarHBondContact O-CB 3.03Å; R102-L108 WeakPolarHBondContact O-CA 3.25Å; R102-E109 HydrophobicContact CG-CB 4.25Å; R102-E109 IonicContact CZ-OE2 3.11Å; R102-E109 PolarHBondContact N-O 2.88Å; R102-E109 IonicContact NE-OE2 2.71Å; R102-E109 PolarHBondContact NE-OE2 3.42Å; R102-E109 IonicContact NH2-OE2 2.68Å; R102-E109 PolarHBondContact NH2-OE2 2.89Å; R102-E109 PolarHBondContact O-N 3.02Å; R102-L111 HydrophobicContact CB-CD1 4.17Å; R102-L111 HydrophobicContact CG-CD1 4.43Å; R102-L111 HydrophobicContact CG-CD2 3.9Å; R102-L111 HydrophobicContact CG-CG 4.44Å
103	A	92.7	Very high	95.5	Very high	60 Å²	60	69.8 Å²	69.8	50%	0.496	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	132.5	168.6	0	0	0	0	0	109.9	A107	A103-A107 WeakPolarHBondContact CA-O 3.41Å
104	K	91.5	Very high	95.4	Very high	114 Å²	114	74.5 Å²	74.5	50%	0.496	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	92.8	173.3	-177	178.8	-177	178.9	0	108.3	D106 A107 E109	K104-D106 PolarHBondContact O-N 2.84Å; K104-A107 PolarHBondContact N-O 3.13Å; K104-A107 PolarHBondContact O-N 3.37Å; K104-E109 HydrophobicContact CB-CB 4.1Å; K104-E109 HydrophobicContact CD-CB 4.18Å; K104-E109 HydrophobicContact CD-CG 4.39Å; K104-E109 VanDerWaalsContact CD-OE1 3.28Å; K104-E109 WeakPolarHBondContact CD-OE1 3.49Å; K104-E109 IonicContact NZ-OE1 2.71Å; K104-E109 PolarHBondContact NZ-OE1 2.81Å
105	G	90.7	Very high	95.4	Very high	73 Å²	73	72.8 Å²	72.8	75%	0.753	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	-126.7	-163.9	0	0	0	0	0	109.6
106	D	90.9	Very high	95.5	Very high	139 Å²	139	68.2 Å²	68.2	74%	0.743	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-12.3	175.3	-63.2	-37.4	0	0	0	113.1	K104 P128	K104-D106 PolarHBondContact O-N 2.84Å; D106-P128 HydrophobicContact CB-CG 4.11Å; D106-P128 WeakPolarHBondContact O-CD 3.21Å; D106-P128 WeakPolarHBondContact O-CG 3.33Å
107	A	94.9	Very high	95.5	Very high	7 Å²	7	69 Å²	69	6%	0.058	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	159.4	-179.6	0	0	0	0	0	112.7	A103 K104 L126	A103-A107 WeakPolarHBondContact CA-O 3.41Å; K104-A107 PolarHBondContact N-O 3.13Å; K104-A107 PolarHBondContact O-N 3.37Å; A107-L126 WeakPolarHBondContact CA-O 3.38Å
108	L	95.9	Very high	95.4	Very high	4 Å²	4	65.1 Å²	65.1	2%	0.021	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.2	163.1	-72	-178.5	0	0	0	109.6	M32 W36 L52 L89 Y101 R102 T125 L126	M32-L108 HydrophobicContact SD-CD2 4.38Å; W36-L108 HydrophobicContact CD2-CD1 3.48Å; W36-L108 VanDerWaalsContact CD2-CD1 3.48Å; W36-L108 HydrophobicContact CD2-CG 4.28Å; W36-L108 HydrophobicContact CE3-CD1 4.09Å; W36-L108 HydrophobicContact CG-CD1 3.8Å; W36-L108 HydrophobicContact CG-CG 4.26Å; W36-L108 HydrophobicContact CH2-CD1 4.39Å; W36-L108 HydrophobicContact CZ2-CD1 3.74Å; W36-L108 HydrophobicContact CZ2-CG 4.37Å; L52-L108 HydrophobicContact CD2-CD1 4.13Å; L89-L108 HydrophobicContact CD2-CD1 3.79Å; L89-L108 HydrophobicContact CD2-CD2 4.21Å; Y101-L108 HydrophobicContact CD1-CB 4.13Å; R102-L108 WeakPolarHBondContact O-CA 3.25Å; L108-T125 CarbonylContact O-C 3.54Å; L108-T125 VanDerWaalsContact O-CA 3.26Å; L108-T125 WeakPolarHBondContact O-CA 3.45Å; L108-L126 HydrophobicContact CB-CB 4.41Å; L108-L126 PolarHBondContact N-O 2.83Å; L108-L126 PolarHBondContact O-N 3.38Å
109	E	97.1	Very high	95.3	Very high	22 Å²	22	69 Å²	69	10%	0.103	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125.4	172.7	-174.6	-179.5	-114.4	0	0	109.7	Y101 R102 K104 Y124 T125	Y101-E109 CarbonylContact C-O 3.6Å; Y101-E109 WeakPolarHBondContact CA-O 3.33Å; R102-E109 HydrophobicContact CG-CB 4.25Å; R102-E109 IonicContact CZ-OE2 3.11Å; R102-E109 PolarHBondContact N-O 2.88Å; R102-E109 IonicContact NE-OE2 2.71Å; R102-E109 PolarHBondContact NE-OE2 3.42Å; R102-E109 IonicContact NH2-OE2 2.68Å; R102-E109 PolarHBondContact NH2-OE2 2.89Å; R102-E109 PolarHBondContact O-N 3.02Å; K104-E109 HydrophobicContact CB-CB 4.1Å; K104-E109 HydrophobicContact CD-CB 4.18Å; K104-E109 HydrophobicContact CD-CG 4.39Å; K104-E109 VanDerWaalsContact CD-OE1 3.28Å; K104-E109 WeakPolarHBondContact CD-OE1 3.49Å; K104-E109 IonicContact NZ-OE1 2.71Å; K104-E109 PolarHBondContact NZ-OE1 2.81Å; E109-Y124 WeakPolarHBondContact CA-O 3.21Å; E109-T125 HydrophobicContact CB-CG2 4.31Å; E109-T125 HydrophobicContact CG-CG2 4.43Å
110	M	98	Very high	95	Very high	48 Å²	48	69.4 Å²	69.4	24%	0.236	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	140.6	173.6	-171.2	-178.7	-178.3	0	0	110.5	L40 Y101 I118 Y124	L40-M110 HydrophobicContact CD1-SD 3.95Å; Y101-M110 HydrophobicContact CD1-CB 3.99Å; Y101-M110 HydrophobicContact CE1-CB 3.7Å; Y101-M110 HydrophobicContact CE1-CG 4.02Å; M110-I118 HydrophobicContact CG-CD1 4.47Å; M110-Y124 HydrophobicContact CB-CD1 4.39Å; M110-Y124 PolarHBondContact N-O 2.85Å; M110-Y124 HydrophobicContact SD-CD1 4.24Å
111	L	97.8	Very high	94.8	Very high	6 Å²	6	76.8 Å²	76.8	3%	0.031	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-111.8	166.1	-179.8	-56.3	177.6	0	0	0	110.1	K88 Y100 R102 N116	K88-L111 HydrophobicContact CD-CD1 4.3Å; K88-L111 HydrophobicContact CG-CD1 4.27Å; Y100-L111 PolarHBondContact O-N 3.21Å; R102-L111 HydrophobicContact CB-CD1 4.17Å; R102-L111 HydrophobicContact CG-CD1 4.43Å; R102-L111 HydrophobicContact CG-CD2 3.9Å; R102-L111 HydrophobicContact CG-CG 4.44Å; L111-N116 WeakPolarHBondContact CA-O 3.41Å; L111-N116 VanDerWaalsContact CB-O 3.32Å; L111-N116 WeakPolarHBondContact CB-O 3.29Å
112	D	96.3	Very high	94.6	Very high	46 Å²	46	83.5 Å²	83.5	25%	0.246	43%	0.427	C	S	.	.			trans	-68.5	-179.3	174.2	70.8	18.9	0	0	0	112.2	Y100 E114 G115 N116 I118	Y100-D112 WeakPolarHBondContact CD2-O 3.35Å; D112-E114 PolarHBondContact O-N 3.17Å; D112-E114 WeakPolarHBondContact OD1-CA 3.35Å; D112-E114 WeakPolarHBondContact OD1-CB 3.26Å; D112-E114 PolarHBondContact OD1-N 3.09Å; D112-G115 WeakPolarHBondContact O-CA 3.31Å; D112-G115 PolarHBondContact O-N 3.28Å; D112-G115 PolarHBondContact OD1-N 2.91Å; D112-N116 PolarHBondContact N-O 2.94Å; D112-N116 PolarHBondContact OD1-N 2.82Å; D112-N116 WeakPolarHBondContact OD2-CB 3.24Å; D112-I118 HydrophobicContact CB-CG1 4.17Å
113	R	94.3	Very high	94.5	Very high	216 Å²	216	83.8 Å²	83.8	82%	0.815	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-20.1	-177.1	-67.9	-179.9	175.4	173	-2	113.1	Y100	Y100-R113 WeakPolarHBondContact CE2-O 3.29Å
114	E	94.9	Very high	94.8	Very high	134 Å²	134	83.4 Å²	83.4	63%	0.626	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-5.8	175.1	-63.9	69.5	-146.5	0	0	111.6	D112 N116	D112-E114 PolarHBondContact O-N 3.17Å; D112-E114 WeakPolarHBondContact OD1-CA 3.35Å; D112-E114 WeakPolarHBondContact OD1-CB 3.26Å; D112-E114 PolarHBondContact OD1-N 3.09Å; E114-N116 WeakPolarHBondContact CB-ND2 3.2Å
115	G	95.4	Very high	95	Very high	3 Å²	3	78.6 Å²	78.6	3%	0.031	40%	0.402	C	S	.	.	S	Bend	trans	76.5	27.9	-178.3	0	0	0	0	0	113.7	K88 D112	K88-G115 WeakPolarHBondContact CE-O 3.32Å; K88-G115 PolarHBondContact NZ-O 2.83Å; D112-G115 WeakPolarHBondContact O-CA 3.31Å; D112-G115 PolarHBondContact O-N 3.28Å; D112-G115 PolarHBondContact OD1-N 2.91Å
116	N	96.2	Very high	95.4	Very high	81 Å²	81	75.1 Å²	75.1	43%	0.433	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-96.3	161.6	170.9	-47.4	-62.3	0	0	0	111.1	L111 D112 E114 I118	L111-N116 WeakPolarHBondContact CA-O 3.41Å; L111-N116 VanDerWaalsContact CB-O 3.32Å; L111-N116 WeakPolarHBondContact CB-O 3.29Å; D112-N116 PolarHBondContact N-O 2.94Å; D112-N116 PolarHBondContact OD1-N 2.82Å; D112-N116 WeakPolarHBondContact OD2-CB 3.24Å; E114-N116 WeakPolarHBondContact CB-ND2 3.2Å; N116-I118 PolarHBondContact O-N 3.35Å
117	P	95.4	Very high	95.7	Very high	62 Å²	62	73.1 Å²	73.1	40%	0.403	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-59.5	135.9	175.4	-22.9	35.9	0	0	0	111.8	E119	P117-E119 PolarHBondContact O-N 2.86Å
118	I	95.9	Very high	95.7	Very high	51 Å²	51	75.4 Å²	75.4	26%	0.262	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-78.7	117.1	173.7	-59.7	172.2	0	0	0	108.7	M110 D112 N116 S120 Y124	M110-I118 HydrophobicContact CG-CD1 4.47Å; D112-I118 HydrophobicContact CB-CG1 4.17Å; N116-I118 PolarHBondContact O-N 3.35Å; I118-S120 PolarHBondContact O-N 2.99Å; I118-Y124 HydrophobicContact CB-CD2 4.45Å; I118-Y124 HydrophobicContact CD1-CD1 3.65Å; I118-Y124 HydrophobicContact CD1-CE1 3.82Å; I118-Y124 HydrophobicContact CD1-CG 4.04Å; I118-Y124 HydrophobicContact CG2-CD2 4.09Å; I118-Y124 HydrophobicContact CG2-CE2 3.76Å
119	E	93.6	Very high	95.6	Very high	197 Å²	197	76.7 Å²	76.7	92%	0.921	38%	0.378	S	S	*	.			trans	-83.2	99.4	172.2	-66.5	-171.9	-177.6	0	0	110.1	P117	P117-E119 PolarHBondContact O-N 2.86Å
120	S	92.5	Very high	95	Very high	56 Å²	56	85 Å²	85	39%	0.392	42%	0.416	S	S	.	.			trans	-152.1	158.7	-178.7	-176.1	0	0	0	0	111.5	I118 F122	I118-S120 PolarHBondContact O-N 2.99Å; S120-F122 VanDerWaalsContact C-N 3.29Å; S120-F122 WeakPolarHBondContact OG-CD2 3.47Å; S120-F122 PolarHBondContact OG-N 3.23Å; S120-F122 VanDerWaalsContact OG-N 3.15Å
121	Q	92.6	Very high	94	Very high	202 Å²	202	84.3 Å²	84.3	94%	0.944	42%	0.416	S	S	*	.	S	Bend	trans	-79.6	-15.2	169.4	-63.6	-174.1	-3.1	0	0	112.4
122	F	94	Very high	93.3	Very high	145 Å²	145	88.3 Å²	88.3	64%	0.636	45%	0.445	S	S	*	.	S	Bend	trans	-81.4	155.7	-179.9	-60.7	-64.6	0	0	0	112.2	P41 S120 Y124	P41-F122 HydrophobicContact CB-CB 3.91Å; P41-F122 HydrophobicContact CB-CG 4.18Å; P41-F122 HydrophobicContact CG-CB 3.46Å; P41-F122 VanDerWaalsContact CG-CB 3.46Å; P41-F122 HydrophobicContact CG-CG 4.27Å; S120-F122 VanDerWaalsContact C-N 3.29Å; S120-F122 WeakPolarHBondContact OG-CD2 3.47Å; S120-F122 PolarHBondContact OG-N 3.23Å; S120-F122 VanDerWaalsContact OG-N 3.15Å; F122-Y124 HydrophobicContact CB-CE2 3.97Å; F122-Y124 WeakPolarHBondContact O-CD2 3.17Å
123	N	94.8	Very high	92.8	Very high	93 Å²	93	87.1 Å²	87.1	50%	0.497	44%	0.438	S	S	.	.			trans	-84.5	124.3	178.8	-171.9	29.5	0	0	0	111.5	P41 T125	P41-N123 WeakPolarHBondContact CD-O 3.4Å; P41-N123 VanDerWaalsContact CG-O 3.24Å; P41-N123 WeakPolarHBondContact CG-O 3.35Å; N123-T125 PolarHBondContact ND2-OG1 2.96Å; N123-T125 WeakPolarHBondContact OD1-CG2 3.24Å; N123-T125 PolarHBondContact OD1-N 2.03Å; N123-T125 PolarHBondContact OD1-OG1 2.91Å
124	Y	97.2	Very high	92.5	Very high	53 Å²	53	77.3 Å²	77.3	21%	0.208	40%	0.403	C	S	.	.			trans	-113.6	27.4	177.5	-75.1	-88.9	0	0	0	112	P41 E109 M110 I118 F122	P41-Y124 HydrophobicContact CB-CE1 4.42Å; P41-Y124 HydrophobicContact CG-CD1 4.15Å; P41-Y124 HydrophobicContact CG-CD2 4.15Å; P41-Y124 HydrophobicContact CG-CE1 3.82Å; P41-Y124 HydrophobicContact CG-CE2 3.8Å; P41-Y124 HydrophobicContact CG-CG 4.31Å; E109-Y124 WeakPolarHBondContact CA-O 3.21Å; M110-Y124 HydrophobicContact CB-CD1 4.39Å; M110-Y124 PolarHBondContact N-O 2.85Å; M110-Y124 HydrophobicContact SD-CD1 4.24Å; I118-Y124 HydrophobicContact CB-CD2 4.45Å; I118-Y124 HydrophobicContact CD1-CD1 3.65Å; I118-Y124 HydrophobicContact CD1-CE1 3.82Å; I118-Y124 HydrophobicContact CD1-CG 4.04Å; I118-Y124 HydrophobicContact CG2-CD2 4.09Å; I118-Y124 HydrophobicContact CG2-CE2 3.76Å; F122-Y124 HydrophobicContact CB-CE2 3.97Å; F122-Y124 WeakPolarHBondContact O-CD2 3.17Å
125	T	97.4	Very high	92.3	Very high	13 Å²	13	76.3 Å²	76.3	8%	0.08	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	145	-178.4	69.1	0	0	0	0	113.7	L108 E109 N123 E127	L108-T125 CarbonylContact O-C 3.54Å; L108-T125 VanDerWaalsContact O-CA 3.26Å; L108-T125 WeakPolarHBondContact O-CA 3.45Å; E109-T125 HydrophobicContact CB-CG2 4.31Å; E109-T125 HydrophobicContact CG-CG2 4.43Å; N123-T125 PolarHBondContact ND2-OG1 2.96Å; N123-T125 WeakPolarHBondContact OD1-CG2 3.24Å; N123-T125 PolarHBondContact OD1-N 2.03Å; N123-T125 PolarHBondContact OD1-OG1 2.91Å; T125-E127 PolarHBondContact OG1-OE1 2.63Å
126	L	97.8	Very high	92.3	Very high	0 Å²	0	77.7 Å²	77.7	0%	0	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.5	163.6	-51.4	178.4	0	0	0	108.5	W36 R37 L40 T50 L52 Y101 A107 L108	W36-L126 HydrophobicContact CB-CB 3.73Å; W36-L126 HydrophobicContact CB-CD1 4.43Å; R37-L126 CarbonylContact O-C 3.59Å; R37-L126 WeakPolarHBondContact O-CA 3.2Å; L40-L126 HydrophobicContact CD1-CD2 4.35Å; L40-L126 HydrophobicContact CD2-CD2 3.93Å; L40-L126 HydrophobicContact CG-CD2 4.03Å; T50-L126 HydrophobicContact CG2-CD1 4.28Å; T50-L126 HydrophobicContact CG2-CD2 4.12Å; L52-L126 HydrophobicContact CB-CD1 4.24Å; L52-L126 HydrophobicContact CD2-CD1 4.33Å; Y101-L126 HydrophobicContact CE1-CD1 3.9Å; Y101-L126 HydrophobicContact CE1-CG 4.41Å; A107-L126 WeakPolarHBondContact CA-O 3.38Å; L108-L126 HydrophobicContact CB-CB 4.41Å; L108-L126 PolarHBondContact N-O 2.83Å; L108-L126 PolarHBondContact O-N 3.38Å
127	E	97	Very high	92.3	Very high	97 Å²	97	76.7 Å²	76.7	45%	0.453	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	147.4	179.8	-61.8	-59	151.6	0	0	110.8	W36 R37 T125 A129	W36-E127 CarbonylContact C-O 3.48Å; W36-E127 WeakPolarHBondContact CA-O 3.5Å; R37-E127 PolarHBondContact N-O 3.41Å; R37-E127 PolarHBondContact O-N 3.24Å; T125-E127 PolarHBondContact OG1-OE1 2.63Å; E127-A129 PolarHBondContact O-N 2.87Å
128	P	95.8	Very high	92.3	Very high	55 Å²	55	74 Å²	74	36%	0.357	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	133.2	171.9	-23.7	34.4	0	0	0	111.4	P33 D106	P33-P128 HydrophobicContact CB-CB 4.07Å; P33-P128 HydrophobicContact CG-CB 3.87Å; P33-P128 HydrophobicContact CG-CG 3.94Å; D106-P128 HydrophobicContact CB-CG 4.11Å; D106-P128 WeakPolarHBondContact O-CD 3.21Å; D106-P128 WeakPolarHBondContact O-CG 3.33Å
129	A	93.5	Very high	92.3	Very high	31 Å²	31	75.6 Å²	75.6	26%	0.256	40%	0.401	S	S	.	.			trans	-138.7	153.9	179.3	0	0	0	0	0	110.5	S35 R37 E127	S35-A129 WeakPolarHBondContact CB-O 2.9Å; S35-A129 PolarHBondContact O-N 2.87Å; S35-A129 VanDerWaalsContact O-O 3.11Å; S35-A129 PolarHBondContact OG-O 2.95Å; R37-A129 HydrophobicContact CB-CB 4.08Å; R37-A129 HydrophobicContact CG-CB 3.92Å; E127-A129 PolarHBondContact O-N 2.87Å
130	Q	85.4	Confident	92.5	Very high	196 Å²	196	66.2 Å²	66.2	92%	0.916	36%	0.357	S	S	*	.			trans	-93.1	119.2	161.1	-69.5	-177.9	3.5	0	0	107.8
131	S	76.8	Confident	92.6	Very high	33 Å²	33	66.2 Å²	66.2	23%	0.231	35%	0.349	C	S	.	.			trans	-146.5	161.1	-179.1	60.1	0	0	0	0	113.4	S35 F53	S35-S131 PolarHBondContact OG-OG 2.98Å; F53-S131 VanDerWaalsContact CE1-O 3.31Å; F53-S131 WeakPolarHBondContact CE1-O 3.39Å; F53-S131 WeakPolarHBondContact CE1-OG 3.42Å; F53-S131 WeakPolarHBondContact CZ-OG 3.39Å
132	S	82.5	Confident	92.9	Very high	91 Å²	91	56.6 Å²	56.6	64%	0.636	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-89.9	148.1	174.9	54.6	0	0	0	0	110.4	F53	F53-S132 WeakPolarHBondContact CZ-O 3.42Å
133	L	86.2	Confident	93.1	Very high	20 Å²	20	51.4 Å²	51.4	11%	0.105	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-48.7	141.8	174.2	-71.2	169.1	0	0	0	111.3	F53 F193 L195 K206	F53-L133 HydrophobicContact CB-CD2 4.36Å; F53-L133 HydrophobicContact CD1-CD2 4.28Å; F53-L133 HydrophobicContact CG-CD2 4.16Å; L133-F193 WeakPolarHBondContact CB-O 3.4Å; L133-F193 HydrophobicContact CD1-CB 4.07Å; L133-L195 HydrophobicContact CD1-CD2 4.28Å; L133-L195 HydrophobicContact CD1-CG 4.34Å; L133-K206 HydrophobicContact CD1-CD 4.44Å; L133-K206 HydrophobicContact CD1-CG 4.21Å
134	P	86.6	Confident	93.2	Very high	11 Å²	11	47 Å²	47	7%	0.071	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-69	139.8	-179.6	29.1	-32.5	0	0	0	110.3	V61 N63	V61-P134 HydrophobicContact CB-CG 4.38Å; V61-P134 HydrophobicContact CG1-CG 3.42Å; V61-P134 VanDerWaalsContact CG1-CG 3.42Å; N63-P134 HydrophobicContact CB-CB 3.53Å; N63-P134 HydrophobicContact CB-CG 4.12Å
135	L	92.4	Very high	93.2	Very high	113 Å²	113	46 Å²	46	59%	0.592	26%	0.255	S	S	*	.			trans	-93.4	-1.2	177.2	-56.7	-179.5	0	0	0	112.5	P137	L135-P137 WeakPolarHBondContact O-CD 3.46Å
136	T	94.6	Very high	93.2	Very high	32 Å²	32	46.9 Å²	46.9	20%	0.196	26%	0.257	C	S	.	.	S	Bend	trans	-66.3	123.6	178.1	-55.4	0	0	0	0	109.1	N63 A77	N63-T136 WeakPolarHBondContact OD1-CB 3.34Å; N63-T136 PolarHBondContact OD1-OG1 3.39Å; A77-T136 HydrophobicContact CB-CG2 3.96Å; A77-T136 WeakPolarHBondContact CB-O 3.29Å
137	P	96.2	Very high	93	Very high	59 Å²	59	51.5 Å²	51.5	38%	0.383	28%	0.28	S	S	.	.			trans	-61.2	141.7	180	-23.2	33.5	0	0	0	111.7	L135 E190 D211	L135-P137 WeakPolarHBondContact O-CD 3.46Å; P137-E190 HydrophobicContact CB-CB 4.4Å; P137-D211 HydrophobicContact CB-CB 4.08Å; P137-D211 HydrophobicContact CG-CB 3.98Å
138	M	95.6	Very high	92.7	Very high	7 Å²	7	51.1 Å²	51.1	3%	0.034	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	150.7	171.7	70.4	-162.6	96.1	0	0	109.1	V61 A77 Y79 L140 E190 G191 F193	V61-M138 HydrophobicContact CG1-CE 3.89Å; A77-M138 HydrophobicContact CB-CB 4.17Å; Y79-M138 HydrophobicContact CD1-CG 3.99Å; Y79-M138 HydrophobicContact CD1-SD 3.39Å; Y79-M138 WeakPolarHBondContact CD1-SD 3.32Å; Y79-M138 HydrophobicContact CE1-CG 4.34Å; Y79-M138 HydrophobicContact CE1-SD 4.23Å; Y79-M138 HydrophobicContact CG-SD 3.76Å; M138-L140 HydrophobicContact CG-CD1 3.66Å; M138-L140 HydrophobicContact CG-CG 4.05Å; M138-L140 VanDerWaalsContact O-CD1 3.24Å; M138-L140 WeakPolarHBondContact O-CD1 3.09Å; M138-L140 PolarHBondContact O-N 2.85Å; M138-E190 VanDerWaalsContact O-CA 3.28Å; M138-E190 WeakPolarHBondContact O-CA 3.49Å; M138-G191 WeakPolarHBondContact CG-O 2.89Å; M138-G191 PolarHBondContact N-O 2.99Å; M138-G191 PolarHBondContact O-N 3.33Å; M138-F193 HydrophobicContact CE-CD2 3.61Å; M138-F193 HydrophobicContact CE-CE2 3.94Å; M138-F193 HydrophobicContact SD-CD2 4.29Å; M138-F193 HydrophobicContact SD-CE2 4.01Å
139	T	95.7	Very high	92.4	Very high	84 Å²	84	54.2 Å²	54.2	52%	0.515	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	123.3	173.4	-50.5	0	0	0	0	109.7
140	L	97	Very high	92.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	149.9	171.8	-53.4	94.7	0	0	0	110.2	Y79 M138 F153 S188 V189 F193 L208	Y79-L140 HydrophobicContact CE1-CD2 4.2Å; Y79-L140 HydrophobicContact CE1-CG 3.89Å; Y79-L140 HydrophobicContact CE2-CD2 4.23Å; M138-L140 HydrophobicContact CG-CD1 3.66Å; M138-L140 HydrophobicContact CG-CG 4.05Å; M138-L140 VanDerWaalsContact O-CD1 3.24Å; M138-L140 WeakPolarHBondContact O-CD1 3.09Å; M138-L140 PolarHBondContact O-N 2.85Å; L140-F153 HydrophobicContact CB-CE1 3.99Å; L140-F153 HydrophobicContact CB-CZ 3.82Å; L140-F153 HydrophobicContact CD2-CE1 4.42Å; L140-S188 WeakPolarHBondContact O-CA 3.19Å; L140-V189 PolarHBondContact N-O 2.78Å; L140-V189 PolarHBondContact O-N 2.78Å; L140-F193 HydrophobicContact CD2-CE2 4.27Å; L140-F193 HydrophobicContact CD2-CZ 3.89Å; L140-L208 HydrophobicContact CD1-CD1 3.63Å; L140-L208 HydrophobicContact CD1-CD2 4.41Å; L140-L208 HydrophobicContact CD2-CD1 3.98Å; L140-L208 HydrophobicContact CD2-CD2 4.24Å; L140-L208 HydrophobicContact CG-CD1 4.47Å
141	R	96.6	Very high	92.9	Very high	55 Å²	55	46.1 Å²	46.1	21%	0.208	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	131.3	170.9	-177	157.2	166.6	-160.4	-5.3	110.1	C156 L186 L187 S224 L225	R141-C156 VanDerWaalsContact O-CB 3.24Å; R141-C156 WeakPolarHBondContact O-CB 3.27Å; R141-C156 PolarHBondContact O-N 3.08Å; R141-C156 PolarHBondContact O-SG 3.39Å; R141-C156 VanDerWaalsContact O-SG 3.4Å; R141-L186 HydrophobicContact CG-CD1 3.87Å; R141-L186 HydrophobicContact CG-CG 4.38Å; R141-L186 VanDerWaalsContact NH2-CD2 3.27Å; R141-L187 VanDerWaalsContact CA-O 3.28Å; R141-L187 WeakPolarHBondContact CA-O 3.31Å; R141-S224 PolarHBondContact NH2-OG 3.01Å; R141-L225 HydrophobicContact CG-CD1 4.4Å
142	G	97.8	Very high	93.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.8	168.6	-168.5	0	0	0	0	0	113.1	Y144 T154 C156 L187	G142-Y144 PolarHBondContact O-N 3.48Å; G142-T154 CarbonylContact C-O 3.51Å; G142-T154 WeakPolarHBondContact CA-O 3.45Å; G142-C156 VanDerWaalsContact CA-SG 3.58Å; G142-L187 PolarHBondContact N-O 3.22Å; G142-L187 PolarHBondContact O-N 2.86Å
143	M	97.8	Very high	94.6	Very high	36 Å²	36	41.1 Å²	41.1	18%	0.177	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	108.5	177.8	-56.3	-53.7	-61.9	0	0	109.2	F153 T154 P184 L186 D221	M143-F153 WeakPolarHBondContact O-CA 3.42Å; M143-T154 PolarHBondContact N-O 2.92Å; M143-T154 PolarHBondContact O-N 3.33Å; M143-P184 HydrophobicContact CB-CB 3.9Å; M143-P184 HydrophobicContact CE-CB 4.15Å; M143-L186 HydrophobicContact CE-CB 4.34Å; M143-L186 HydrophobicContact SD-CB 3.91Å; M143-L186 HydrophobicContact SD-CD1 3.71Å; M143-L186 HydrophobicContact SD-CG 4.43Å; M143-D221 HydrophobicContact SD-CB 4.4Å
144	Y	98.2	Very high	95.1	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	136.6	177.3	-179.9	-86.2	0	0	0	110.5	G142 A151 T152 V164 L170 Y174 P184 V185 L187 F216	G142-Y144 PolarHBondContact O-N 3.48Å; Y144-A151 HydrophobicContact CE2-CB 3.85Å; Y144-A151 VanDerWaalsContact OH-CB 3.3Å; Y144-A151 WeakPolarHBondContact OH-CB 3.33Å; Y144-T152 CarbonylContact C-O 3.52Å; Y144-T152 WeakPolarHBondContact CA-O 3.47Å; Y144-V164 HydrophobicContact CD2-CG2 4.13Å; Y144-V164 HydrophobicContact CE2-CB 4.2Å; Y144-V164 HydrophobicContact CE2-CG1 4.21Å; Y144-V164 HydrophobicContact CE2-CG2 3.98Å; Y144-L170 HydrophobicContact CD2-CD2 4.3Å; Y144-L170 HydrophobicContact CE2-CD2 3.66Å; Y144-L170 HydrophobicContact CE2-CG 4.13Å; Y144-Y174 HydrophobicContact CD1-CD1 4.45Å; Y144-Y174 AromaticContact CD1-CD2 3.64Å; Y144-Y174 HydrophobicContact CD1-CD2 3.64Å; Y144-Y174 HydrophobicContact CD1-CE2 4.31Å; Y144-Y174 AromaticContact CD1-CG 3.7Å; Y144-Y174 HydrophobicContact CD1-CG 3.7Å; Y144-Y174 HydrophobicContact CE1-CD1 4.04Å; Y144-Y174 HydrophobicContact CE1-CD2 4.05Å; Y144-Y174 AromaticContact CE1-CG 3.61Å; Y144-Y174 HydrophobicContact CE1-CG 3.61Å; Y144-P184 CarbonylContact O-C 3.57Å; Y144-P184 WeakPolarHBondContact O-CA 2.93Å; Y144-V185 PolarHBondContact N-O 2.61Å; Y144-V185 PolarHBondContact O-N 2.66Å; Y144-L187 HydrophobicContact CD2-CD2 3.75Å; Y144-L187 HydrophobicContact CG-CD2 3.98Å; Y144-F216 AromaticContact CD1-CE1 3.73Å; Y144-F216 HydrophobicContact CD1-CE1 3.73Å; Y144-F216 AromaticContact CD1-CZ 3.92Å; Y144-F216 HydrophobicContact CD1-CZ 3.92Å; Y144-F216 HydrophobicContact CE1-CZ 4.29Å; Y144-F216 AromaticContact CG-CE1 3.99Å; Y144-F216 HydrophobicContact CG-CE1 3.99Å; Y144-F216 HydrophobicContact CG-CZ 4.28Å
145	F	97.4	Very high	95.7	Very high	33 Å²	33	41.4 Å²	41.4	15%	0.145	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	125.2	177.7	-179.5	-103.7	0	0	0	110.1	M147 T152 Y174 P184	F145-M147 HydrophobicContact CD1-CB 4.49Å; F145-M147 HydrophobicContact CE1-CB 3.65Å; F145-M147 HydrophobicContact CE1-CE 3.94Å; F145-M147 HydrophobicContact CE1-SD 4.24Å; F145-M147 HydrophobicContact CZ-CB 3.8Å; F145-M147 HydrophobicContact CZ-CE 4.04Å; F145-M147 HydrophobicContact CZ-CG 4.44Å; F145-M147 HydrophobicContact CZ-SD 3.83Å; F145-T152 PolarHBondContact N-O 2.86Å; F145-T152 PolarHBondContact O-N 2.95Å; F145-T152 PolarHBondContact O-OG1 2.82Å; F145-T152 VanDerWaalsContact O-OG1 3.04Å; F145-Y174 WeakPolarHBondContact CD2-OH 3.32Å; F145-Y174 WeakPolarHBondContact CE2-OH 3.32Å; F145-P184 HydrophobicContact CB-CB 4.09Å; F145-P184 HydrophobicContact CB-CG 4.05Å; F145-P184 HydrophobicContact CD2-CG 4.08Å; F145-P184 HydrophobicContact CG-CG 4.28Å
146	Y	96.4	Very high	95.9	Very high	30 Å²	30	37.5 Å²	37.5	12%	0.118	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.5	176.9	169.1	-105.1	0	0	0	110.4	D149 V150 A151 E171 Y174 L175	Y146-D149 PolarHBondContact OH-OD1 3.26Å; Y146-V150 WeakPolarHBondContact CA-O 3.36Å; Y146-V150 WeakPolarHBondContact CD2-O 3.37Å; Y146-A151 HydrophobicContact CD2-CB 4Å; Y146-E171 HydrophobicContact CD1-CB 4.24Å; Y146-E171 HydrophobicContact CD1-CG 4.19Å; Y146-E171 HydrophobicContact CD2-CG 3.88Å; Y146-E171 HydrophobicContact CE1-CB 4.16Å; Y146-E171 HydrophobicContact CE1-CG 4.16Å; Y146-E171 HydrophobicContact CE2-CG 3.84Å; Y146-E171 HydrophobicContact CG-CG 4.05Å; Y146-Y174 HydrophobicContact CD1-CD1 4.26Å; Y146-Y174 HydrophobicContact CD1-CE1 4.37Å; Y146-Y174 HydrophobicContact CG-CD1 4.49Å; Y146-Y174 VanDerWaalsContact O-CE1 3.23Å; Y146-Y174 WeakPolarHBondContact O-CE1 3.19Å; Y146-Y174 PolarHBondContact O-OH 2.83Å; Y146-L175 HydrophobicContact CD1-CD2 4.46Å
147	M	93.3	Very high	95.9	Very high	97 Å²	97	38.3 Å²	38.3	48%	0.478	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	140.6	178.4	-175.1	171.2	71.9	0	0	109.6	F145 D149 V150	F145-M147 HydrophobicContact CD1-CB 4.49Å; F145-M147 HydrophobicContact CE1-CB 3.65Å; F145-M147 HydrophobicContact CE1-CE 3.94Å; F145-M147 HydrophobicContact CE1-SD 4.24Å; F145-M147 HydrophobicContact CZ-CB 3.8Å; F145-M147 HydrophobicContact CZ-CE 4.04Å; F145-M147 HydrophobicContact CZ-CG 4.44Å; F145-M147 HydrophobicContact CZ-SD 3.83Å; M147-D149 PolarHBondContact O-N 2.87Å; M147-V150 PolarHBondContact N-O 2.99Å; M147-V150 VanDerWaalsContact N-O 3.09Å; M147-V150 PolarHBondContact O-N 2.96Å; M147-V150 VanDerWaalsContact O-N 3.15Å
148	A	91	Very high	95.9	Very high	89 Å²	89	36.4 Å²	36.4	74%	0.736	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	50.6	178.1	0	0	0	0	0	113.2	V150	A148-V150 PolarHBondContact O-N 3.28Å; A148-V150 VanDerWaalsContact O-N 3.09Å
149	D	89.6	Confident	96	Very high	120 Å²	120	38.7 Å²	38.7	64%	0.642	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	17.9	179.7	-58.3	-40.8	0	0	0	115.6	Y146 M147	Y146-D149 PolarHBondContact OH-OD1 3.26Å; M147-D149 PolarHBondContact O-N 2.87Å
150	V	92.6	Very high	95.9	Very high	57 Å²	57	38.2 Å²	38.2	35%	0.345	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	122.9	176.1	-179.9	0	0	0	0	110.2	Y146 M147 A148 T152 M163	Y146-V150 WeakPolarHBondContact CA-O 3.36Å; Y146-V150 WeakPolarHBondContact CD2-O 3.37Å; M147-V150 PolarHBondContact N-O 2.99Å; M147-V150 VanDerWaalsContact N-O 3.09Å; M147-V150 PolarHBondContact O-N 2.96Å; M147-V150 VanDerWaalsContact O-N 3.15Å; A148-V150 PolarHBondContact O-N 3.28Å; A148-V150 VanDerWaalsContact O-N 3.09Å; V150-T152 HydrophobicContact CG1-CG2 4.28Å; V150-M163 HydrophobicContact CG1-CE 4.47Å
151	A	96.4	Very high	95.9	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.008	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	136.4	173.1	0	0	0	0	0	111	Y144 Y146 M163 V164	Y144-A151 HydrophobicContact CE2-CB 3.85Å; Y144-A151 VanDerWaalsContact OH-CB 3.3Å; Y144-A151 WeakPolarHBondContact OH-CB 3.33Å; Y146-A151 HydrophobicContact CD2-CB 4Å; A151-M163 WeakPolarHBondContact O-CA 3.38Å; A151-V164 HydrophobicContact CB-CB 3.83Å; A151-V164 HydrophobicContact CB-CG2 4.43Å; A151-V164 PolarHBondContact O-N 3.44Å
152	T	97.2	Very high	95.6	Very high	18 Å²	18	42.6 Å²	42.6	11%	0.11	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	146	178.1	56.9	0	0	0	0	110.7	Y144 F145 V150 R161 F162	Y144-T152 CarbonylContact C-O 3.52Å; Y144-T152 WeakPolarHBondContact CA-O 3.47Å; F145-T152 PolarHBondContact N-O 2.86Å; F145-T152 PolarHBondContact O-N 2.95Å; F145-T152 PolarHBondContact O-OG1 2.82Å; F145-T152 VanDerWaalsContact O-OG1 3.04Å; V150-T152 HydrophobicContact CG1-CG2 4.28Å; T152-R161 VanDerWaalsContact CB-NH1 3.34Å; T152-R161 PolarHBondContact OG1-NH1 2.97Å; T152-F162 CarbonylContact C-O 3.55Å; T152-F162 WeakPolarHBondContact CA-O 3.49Å
153	F	97.8	Very high	95.5	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	119	179.2	-174.6	-90.4	0	0	0	109.3	L140 M143 D155 R161 F162 V164 L187 V189 L208	L140-F153 HydrophobicContact CB-CE1 3.99Å; L140-F153 HydrophobicContact CB-CZ 3.82Å; L140-F153 HydrophobicContact CD2-CE1 4.42Å; M143-F153 WeakPolarHBondContact O-CA 3.42Å; F153-D155 HydrophobicContact CD1-CB 4.17Å; F153-D155 HydrophobicContact CE1-CB 3.91Å; F153-R161 CarbonylContact O-C 3.56Å; F153-R161 VanDerWaalsContact O-CA 3.31Å; F153-R161 WeakPolarHBondContact O-CA 3.45Å; F153-F162 PolarHBondContact N-O 3.39Å; F153-F162 PolarHBondContact O-N 3.34Å; F153-V164 HydrophobicContact CB-CG2 3.53Å; F153-L187 HydrophobicContact CD2-CD2 4.18Å; F153-L187 HydrophobicContact CE2-CB 4.19Å; F153-L187 HydrophobicContact CE2-CD2 4.07Å; F153-L187 HydrophobicContact CE2-CG 4.28Å; F153-V189 HydrophobicContact CE2-CG1 4.33Å; F153-L208 HydrophobicContact CB-CD2 4.36Å; F153-L208 HydrophobicContact CD1-CD2 4.13Å; F153-L208 HydrophobicContact CD2-CD2 4.3Å; F153-L208 HydrophobicContact CE1-CD2 4.41Å; F153-L208 HydrophobicContact CG-CD2 4.04Å
154	T	97.8	Very high	95.4	Very high	36 Å²	36	43.5 Å²	43.5	22%	0.221	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	103.6	173.8	-49.3	0	0	0	0	108.3	G142 M143 K160 R161	G142-T154 CarbonylContact C-O 3.51Å; G142-T154 WeakPolarHBondContact CA-O 3.45Å; M143-T154 PolarHBondContact N-O 2.92Å; M143-T154 PolarHBondContact O-N 3.33Å; T154-K160 CarbonylContact C-O 3.57Å; T154-K160 WeakPolarHBondContact CA-O 3.39Å; T154-R161 PolarHBondContact OG1-NE 2.8Å; T154-R161 PolarHBondContact OG1-NH2 2.88Å
155	D	97.5	Very high	95.3	Very high	2 Å²	2	44 Å²	44	1%	0.011	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	133.8	-174.2	173.5	63.8	0	0	0	111.9	Y79 F153 A157 T158 G159 K160 F162	Y79-D155 WeakPolarHBondContact CE2-OD2 3.46Å; Y79-D155 PolarHBondContact OH-OD1 3.03Å; F153-D155 HydrophobicContact CD1-CB 4.17Å; F153-D155 HydrophobicContact CE1-CB 3.91Å; D155-A157 PolarHBondContact OD2-N 2.71Å; D155-T158 VanDerWaalsContact OD2-CB 3.3Å; D155-T158 WeakPolarHBondContact OD2-CB 3.24Å; D155-T158 VanDerWaalsContact OD2-CG2 3.32Å; D155-T158 WeakPolarHBondContact OD2-CG2 3.36Å; D155-T158 PolarHBondContact OD2-N 3.25Å; D155-T158 PolarHBondContact OD2-OG1 3.06Å; D155-G159 WeakPolarHBondContact O-CA 3.3Å; D155-G159 PolarHBondContact O-N 3.02Å; D155-K160 PolarHBondContact N-O 2.8Å; D155-F162 HydrophobicContact CB-CE2 4.09Å
156	C	97.2	Very high	95.1	Very high	31 Å²	31	48.1 Å²	48.1	21%	0.209	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-28.9	-176.6	-68.6	0	0	0	0	113	R141 G142 C222 L225	R141-C156 VanDerWaalsContact O-CB 3.24Å; R141-C156 WeakPolarHBondContact O-CB 3.27Å; R141-C156 PolarHBondContact O-N 3.08Å; R141-C156 PolarHBondContact O-SG 3.39Å; R141-C156 VanDerWaalsContact O-SG 3.4Å; G142-C156 VanDerWaalsContact CA-SG 3.58Å; C156-C222 WeakPolarHBondContact CA-SG 3.26Å; C156-C222 HydrophobicContact CB-CB 3.62Å; C156-C222 WeakPolarHBondContact CB-SG 3.41Å; C156-C222 WeakPolarHBondContact SG-CA 3.48Å; C156-C222 WeakPolarHBondContact SG-CB 3.47Å; C156-C222 CovalentContact SG-SG 2.04Å; C156-C222 PolarHBondContact SG-SG 3.02Å; C156-L225 HydrophobicContact CB-CD1 3.76Å
157	A	95.8	Very high	95.1	Very high	49 Å²	49	48.9 Å²	48.9	41%	0.405	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-42.3	-175.3	0	0	0	0	0	112.7	D155	D155-A157 PolarHBondContact OD2-N 2.71Å
158	T	96	Very high	95.2	Very high	19 Å²	19	47.2 Å²	47.2	12%	0.117	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-16.3	-175.4	65.4	0	0	0	0	113.1	T59 Y79 T81 D155 K160	T59-T158 HydrophobicContact CG2-CG2 4.1Å; Y79-T158 HydrophobicContact CD2-CG2 4.18Å; Y79-T158 HydrophobicContact CE2-CG2 4.14Å; T81-T158 HydrophobicContact CG2-CG2 3.84Å; D155-T158 VanDerWaalsContact OD2-CB 3.3Å; D155-T158 WeakPolarHBondContact OD2-CB 3.24Å; D155-T158 VanDerWaalsContact OD2-CG2 3.32Å; D155-T158 WeakPolarHBondContact OD2-CG2 3.36Å; D155-T158 PolarHBondContact OD2-N 3.25Å; D155-T158 PolarHBondContact OD2-OG1 3.06Å; T158-K160 PolarHBondContact O-N 3.33Å; T158-K160 VanDerWaalsContact O-N 3.17Å; T158-K160 PolarHBondContact OG1-N 2.61Å
159	G	96	Very high	95.4	Very high	55 Å²	55	48 Å²	48	57%	0.567	28%	0.275	S	S	*	.			trans	68.5	2.6	-172.4	0	0	0	0	0	114.2	D155	D155-G159 WeakPolarHBondContact O-CA 3.3Å; D155-G159 PolarHBondContact O-N 3.02Å
160	K	95.4	Very high	95.8	Very high	74 Å²	74	42.4 Å²	42.4	32%	0.322	25%	0.245	S	C	.	.			trans	-79.6	148.5	-178.6	-63.9	-54.8	-174.5	173.1	0	111.6	D57 T59 T154 D155 T158 F162	D57-K160 WeakPolarHBondContact O-CE 3.12Å; D57-K160 PolarHBondContact O-NZ 2.87Å; T59-K160 HydrophobicContact CG2-CB 4.34Å; T59-K160 HydrophobicContact CG2-CD 4.49Å; T59-K160 HydrophobicContact CG2-CG 3.46Å; T59-K160 VanDerWaalsContact CG2-CG 3.46Å; T154-K160 CarbonylContact C-O 3.57Å; T154-K160 WeakPolarHBondContact CA-O 3.39Å; D155-K160 PolarHBondContact N-O 2.8Å; T158-K160 PolarHBondContact O-N 3.33Å; T158-K160 VanDerWaalsContact O-N 3.17Å; T158-K160 PolarHBondContact OG1-N 2.61Å; K160-F162 HydrophobicContact CB-CE1 3.79Å; K160-F162 HydrophobicContact CB-CE2 3.93Å; K160-F162 HydrophobicContact CB-CZ 3.37Å; K160-F162 HydrophobicContact CG-CZ 4.21Å
161	R	95.7	Very high	96	Very high	133 Å²	133	40.9 Å²	40.9	50%	0.502	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	127	174.9	175.9	174.7	-90.9	-115.6	-8.1	109.7	T152 F153 T154	T152-R161 VanDerWaalsContact CB-NH1 3.34Å; T152-R161 PolarHBondContact OG1-NH1 2.97Å; F153-R161 CarbonylContact O-C 3.56Å; F153-R161 VanDerWaalsContact O-CA 3.31Å; F153-R161 WeakPolarHBondContact O-CA 3.45Å; T154-R161 PolarHBondContact OG1-NE 2.8Å; T154-R161 PolarHBondContact OG1-NH2 2.88Å
162	F	91.7	Very high	95.9	Very high	14 Å²	14	49 Å²	49	6%	0.061	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	154.9	175.8	-48.6	-64.5	0	0	0	110.3	T59 T152 F153 D155 K160 F193	T59-F162 HydrophobicContact CG2-CZ 4.39Å; T152-F162 CarbonylContact C-O 3.55Å; T152-F162 WeakPolarHBondContact CA-O 3.49Å; F153-F162 PolarHBondContact N-O 3.39Å; F153-F162 PolarHBondContact O-N 3.34Å; D155-F162 HydrophobicContact CB-CE2 4.09Å; K160-F162 HydrophobicContact CB-CE1 3.79Å; K160-F162 HydrophobicContact CB-CE2 3.93Å; K160-F162 HydrophobicContact CB-CZ 3.37Å; K160-F162 HydrophobicContact CG-CZ 4.21Å; F162-F193 HydrophobicContact CD1-CE1 4.37Å; F162-F193 AromaticContact CD2-CE1 3.85Å; F162-F193 HydrophobicContact CD2-CE1 3.85Å; F162-F193 HydrophobicContact CD2-CZ 4.15Å; F162-F193 HydrophobicContact CE2-CE1 4.06Å; F162-F193 AromaticContact CE2-CZ 3.95Å; F162-F193 HydrophobicContact CE2-CZ 3.95Å; F162-F193 AromaticContact CG-CE1 4Å; F162-F193 HydrophobicContact CG-CE1 4Å; F162-F193 HydrophobicContact CZ-CE1 4.4Å; F162-F193 HydrophobicContact CZ-CZ 4.34Å
163	M	95	Very high	95.8	Very high	49 Å²	49	50.3 Å²	50.3	24%	0.241	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	149.5	162.7	-71	177.3	67.7	0	0	109	V150 A151 T205 V207 L208	V150-M163 HydrophobicContact CG1-CE 4.47Å; A151-M163 WeakPolarHBondContact O-CA 3.38Å; M163-T205 HydrophobicContact SD-CG2 4.35Å; M163-V207 HydrophobicContact CB-CB 4.46Å; M163-V207 HydrophobicContact CB-CG1 3.92Å; M163-V207 CarbonylContact O-C 3.52Å; M163-V207 WeakPolarHBondContact O-CA 3.23Å; M163-L208 PolarHBondContact O-N 2.92Å
164	V	96.7	Very high	95.8	Very high	6 Å²	6	50.3 Å²	50.3	4%	0.036	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136	172.2	-172.2	0	0	0	0	107.5	Y144 A151 F153 L170 L208	Y144-V164 HydrophobicContact CD2-CG2 4.13Å; Y144-V164 HydrophobicContact CE2-CB 4.2Å; Y144-V164 HydrophobicContact CE2-CG1 4.21Å; Y144-V164 HydrophobicContact CE2-CG2 3.98Å; A151-V164 HydrophobicContact CB-CB 3.83Å; A151-V164 HydrophobicContact CB-CG2 4.43Å; A151-V164 PolarHBondContact O-N 3.44Å; F153-V164 HydrophobicContact CB-CG2 3.53Å; V164-L170 HydrophobicContact CG1-CD2 4.2Å; V164-L208 CarbonylContact C-O 3.47Å; V164-L208 WeakPolarHBondContact CA-O 3.24Å; V164-L208 VanDerWaalsContact CG1-O 3.32Å; V164-L208 WeakPolarHBondContact CG1-O 3.29Å
165	A	95.7	Very high	95.7	Very high	10 Å²	10	52 Å²	52	8%	0.083	28%	0.282	C	S	.	.			trans	-56.2	142.9	173.1	0	0	0	0	0	110.1	N167 E196 V207 L208 A209	A165-N167 PolarHBondContact O-N 2.81Å; A165-E196 WeakPolarHBondContact CB-OE1 3.18Å; A165-V207 HydrophobicContact CB-CG2 4.34Å; A165-L208 PolarHBondContact N-O 3.18Å; A165-A209 HydrophobicContact CB-CB 4.34Å
166	N	93	Very high	95.5	Very high	120 Å²	120	56 Å²	56	64%	0.642	32%	0.315	S	S	*	.			trans	-59.9	129.4	-177.1	-72.5	-8.9	0	0	0	110.8
167	N	95.5	Very high	95.4	Very high	47 Å²	47	55.5 Å²	55.5	25%	0.251	31%	0.313	S	S	.	.			trans	-150.7	101.1	-177.7	-175.2	-52.1	0	0	0	109.7	A165 E169 L170 E171 P210	A165-N167 PolarHBondContact O-N 2.81Å; N167-E169 PolarHBondContact O-N 3.02Å; N167-E169 VanDerWaalsContact O-N 3.13Å; N167-E169 PolarHBondContact OD1-N 3.1Å; N167-E169 VanDerWaalsContact OD1-N 3.09Å; N167-L170 HydrophobicContact CB-CB 4.03Å; N167-L170 PolarHBondContact O-N 2.81Å; N167-L170 VanDerWaalsContact O-N 3.14Å; N167-L170 PolarHBondContact OD1-N 2.89Å; N167-E171 PolarHBondContact N-OE1 3.42Å; N167-E171 WeakPolarHBondContact O-CB 2.97Å; N167-E171 VanDerWaalsContact O-CD 3.3Å; N167-E171 VanDerWaalsContact O-CG 3.23Å; N167-E171 WeakPolarHBondContact O-CG 3.2Å; N167-E171 PolarHBondContact O-N 2.84Å; N167-P210 HydrophobicContact CB-CG 4Å
168	A	95.4	Very high	95.2	Very high	61 Å²	61	56.1 Å²	56.1	50%	0.504	31%	0.305	S	S	.	.	H	α-helix	trans	-61.1	-24.5	-175	0	0	0	0	0	114.2	R172	A168-R172 WeakPolarHBondContact O-CB 3.06Å; A168-R172 WeakPolarHBondContact O-CG 3.49Å; A168-R172 PolarHBondContact O-N 3.03Å; A168-R172 PolarHBondContact O-NE 3.24Å
169	E	95.9	Very high	94.9	Very high	105 Å²	105	57.3 Å²	57.3	49%	0.491	32%	0.321	S	S	.	.	H	α-helix	trans	-76.4	-45.8	175.5	-175.5	176.6	172.2	0	0	111.5	N167 R172 S173	N167-E169 PolarHBondContact O-N 3.02Å; N167-E169 VanDerWaalsContact O-N 3.13Å; N167-E169 PolarHBondContact OD1-N 3.1Å; N167-E169 VanDerWaalsContact OD1-N 3.09Å; E169-R172 PolarHBondContact O-N 2.89Å; E169-S173 WeakPolarHBondContact O-CB 3.29Å; E169-S173 PolarHBondContact O-N 3.13Å; E169-S173 PolarHBondContact O-OG 2.93Å
170	L	97.1	Very high	94.5	Very high	3 Å²	3	64.4 Å²	64.4	2%	0.016	34%	0.339	C	S	.	.	H	α-helix	trans	-63.6	-43	177.4	-173.9	65.4	0	0	0	111.2	Y144 V164 N167 S173 Y174 L187 P210 A213 F216	Y144-L170 HydrophobicContact CD2-CD2 4.3Å; Y144-L170 HydrophobicContact CE2-CD2 3.66Å; Y144-L170 HydrophobicContact CE2-CG 4.13Å; V164-L170 HydrophobicContact CG1-CD2 4.2Å; N167-L170 HydrophobicContact CB-CB 4.03Å; N167-L170 PolarHBondContact O-N 2.81Å; N167-L170 VanDerWaalsContact O-N 3.14Å; N167-L170 PolarHBondContact OD1-N 2.89Å; L170-S173 PolarHBondContact O-N 2.78Å; L170-Y174 PolarHBondContact O-N 3.47Å; L170-L187 HydrophobicContact CD1-CD1 3.97Å; L170-L187 HydrophobicContact CD1-CD2 3.92Å; L170-L187 HydrophobicContact CD2-CD2 4.23Å; L170-P210 HydrophobicContact CD2-CB 4.38Å; L170-P210 HydrophobicContact CD2-CG 4.28Å; L170-A213 WeakPolarHBondContact CD1-O 3.17Å; L170-F216 HydrophobicContact CD1-CE2 3.72Å; L170-F216 HydrophobicContact CD1-CZ 3.69Å; L170-F216 HydrophobicContact CG-CZ 4.25Å
171	E	96.7	Very high	94.1	Very high	26 Å²	26	63 Å²	63	12%	0.121	34%	0.339	C	S	.	.	H	α-helix	trans	-60.2	-49	176.1	-70.1	156.9	-157.2	0	0	111.4	Y146 N167 S173 Y174 L175	Y146-E171 HydrophobicContact CD1-CB 4.24Å; Y146-E171 HydrophobicContact CD1-CG 4.19Å; Y146-E171 HydrophobicContact CD2-CG 3.88Å; Y146-E171 HydrophobicContact CE1-CB 4.16Å; Y146-E171 HydrophobicContact CE1-CG 4.16Å; Y146-E171 HydrophobicContact CE2-CG 3.84Å; Y146-E171 HydrophobicContact CG-CG 4.05Å; N167-E171 PolarHBondContact N-OE1 3.42Å; N167-E171 WeakPolarHBondContact O-CB 2.97Å; N167-E171 VanDerWaalsContact O-CD 3.3Å; N167-E171 VanDerWaalsContact O-CG 3.23Å; N167-E171 WeakPolarHBondContact O-CG 3.2Å; N167-E171 PolarHBondContact O-N 2.84Å; E171-S173 VanDerWaalsContact C-N 3.31Å; E171-S173 PolarHBondContact O-N 2.76Å; E171-Y174 WeakPolarHBondContact O-CB 3.36Å; E171-Y174 PolarHBondContact O-N 2.75Å; E171-L175 VanDerWaalsContact O-CG 3.31Å; E171-L175 WeakPolarHBondContact O-CG 3.41Å; E171-L175 PolarHBondContact O-N 2.85Å
172	R	95.2	Very high	93.8	Very high	170 Å²	170	63.3 Å²	63.3	64%	0.642	35%	0.346	S	S	*	.	H	α-helix	trans	-59.8	-42.1	175.8	-78	-177.3	-64.1	163.1	2.5	111.9	A168 E169 L175 A176	A168-R172 WeakPolarHBondContact O-CB 3.06Å; A168-R172 WeakPolarHBondContact O-CG 3.49Å; A168-R172 PolarHBondContact O-N 3.03Å; A168-R172 PolarHBondContact O-NE 3.24Å; E169-R172 PolarHBondContact O-N 2.89Å; R172-L175 PolarHBondContact O-N 2.81Å; R172-A176 WeakPolarHBondContact O-CB 3.38Å; R172-A176 PolarHBondContact O-N 2.81Å
173	S	95.8	Very high	93.9	Very high	47 Å²	47	69.5 Å²	69.5	33%	0.329	37%	0.372	S	S	.	.	H	α-helix	trans	-64.9	-39.4	178.5	-63.1	0	0	0	0	112	E169 L170 E171 A176 A177	E169-S173 WeakPolarHBondContact O-CB 3.29Å; E169-S173 PolarHBondContact O-N 3.13Å; E169-S173 PolarHBondContact O-OG 2.93Å; L170-S173 PolarHBondContact O-N 2.78Å; E171-S173 VanDerWaalsContact C-N 3.31Å; E171-S173 PolarHBondContact O-N 2.76Å; S173-A176 PolarHBondContact O-N 2.72Å; S173-A177 WeakPolarHBondContact O-CB 3.42Å; S173-A177 PolarHBondContact O-N 2.94Å
174	Y	96.8	Very high	94	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-63.1	-47.1	171.9	160.8	-104.7	0	0	0	112.1	Y144 F145 Y146 L170 E171 A176 A177 R178 V185 F216	Y144-Y174 HydrophobicContact CD1-CD1 4.45Å; Y144-Y174 AromaticContact CD1-CD2 3.64Å; Y144-Y174 HydrophobicContact CD1-CD2 3.64Å; Y144-Y174 HydrophobicContact CD1-CE2 4.31Å; Y144-Y174 AromaticContact CD1-CG 3.7Å; Y144-Y174 HydrophobicContact CD1-CG 3.7Å; Y144-Y174 HydrophobicContact CE1-CD1 4.04Å; Y144-Y174 HydrophobicContact CE1-CD2 4.05Å; Y144-Y174 AromaticContact CE1-CG 3.61Å; Y144-Y174 HydrophobicContact CE1-CG 3.61Å; F145-Y174 WeakPolarHBondContact CD2-OH 3.32Å; F145-Y174 WeakPolarHBondContact CE2-OH 3.32Å; Y146-Y174 HydrophobicContact CD1-CD1 4.26Å; Y146-Y174 HydrophobicContact CD1-CE1 4.37Å; Y146-Y174 HydrophobicContact CG-CD1 4.49Å; Y146-Y174 VanDerWaalsContact O-CE1 3.23Å; Y146-Y174 WeakPolarHBondContact O-CE1 3.19Å; Y146-Y174 PolarHBondContact O-OH 2.83Å; L170-Y174 PolarHBondContact O-N 3.47Å; E171-Y174 WeakPolarHBondContact O-CB 3.36Å; E171-Y174 PolarHBondContact O-N 2.75Å; Y174-A176 VanDerWaalsContact C-N 3.26Å; Y174-A176 PolarHBondContact O-N 2.82Å; Y174-A177 PolarHBondContact O-N 3.13Å; Y174-A177 VanDerWaalsContact O-N 3.09Å; Y174-R178 HydrophobicContact CD2-CB 4.48Å; Y174-R178 VanDerWaalsContact CE1-CD 3.48Å; Y174-R178 HydrophobicContact CE2-CB 4.08Å; Y174-R178 PolarHBondContact O-N 2.89Å; Y174-V185 HydrophobicContact CD2-CB 4.28Å; Y174-V185 HydrophobicContact CD2-CG2 4.08Å; Y174-V185 HydrophobicContact CE2-CB 4.46Å; Y174-V185 HydrophobicContact CE2-CG2 3.97Å; Y174-F216 HydrophobicContact CD2-CE1 4.2Å; Y174-F216 HydrophobicContact CG-CE1 4.5Å
175	L	94.7	Very high	94	Very high	72 Å²	72	70.2 Å²	70.2	38%	0.377	38%	0.38	S	S	.	.	H	α-helix	trans	-60.9	-38	179.3	-68.6	176.6	0	0	0	111.5	Y146 E171 R172 R178	Y146-L175 HydrophobicContact CD1-CD2 4.46Å; E171-L175 VanDerWaalsContact O-CG 3.31Å; E171-L175 WeakPolarHBondContact O-CG 3.41Å; E171-L175 PolarHBondContact O-N 2.85Å; R172-L175 PolarHBondContact O-N 2.81Å; L175-R178 VanDerWaalsContact CD2-CZ 3.44Å; L175-R178 VanDerWaalsContact CD2-NE 3.31Å
176	A	94.2	Very high	94.1	Very high	84 Å²	84	69.7 Å²	69.7	69%	0.694	38%	0.377	S	S	*	.	H	α-helix	trans	-67	-39.7	173.4	0	0	0	0	0	112.3	R172 S173 Y174	R172-A176 WeakPolarHBondContact O-CB 3.38Å; R172-A176 PolarHBondContact O-N 2.81Å; S173-A176 PolarHBondContact O-N 2.72Å; Y174-A176 VanDerWaalsContact C-N 3.26Å; Y174-A176 PolarHBondContact O-N 2.82Å
177	A	94.4	Very high	94.4	Very high	21 Å²	21	64 Å²	64	17%	0.174	35%	0.346	C	S	.	.	H	α-helix	trans	-70.5	-49	180	0	0	0	0	0	112.5	S173 Y174 G179 V185 F216 L218	S173-A177 WeakPolarHBondContact O-CB 3.42Å; S173-A177 PolarHBondContact O-N 2.94Å; Y174-A177 PolarHBondContact O-N 3.13Å; Y174-A177 VanDerWaalsContact O-N 3.09Å; A177-G179 PolarHBondContact O-N 3.15Å; A177-V185 HydrophobicContact CB-CG1 4.3Å; A177-F216 HydrophobicContact CB-CB 3.82Å; A177-F216 HydrophobicContact CB-CG 4.11Å; A177-L218 HydrophobicContact CB-CD2 3.93Å; A177-L218 WeakPolarHBondContact O-CD2 3.35Å
178	R	93	Very high	94.4	Very high	63 Å²	63	63.2 Å²	63.2	24%	0.238	34%	0.344	C	S	.	.	H	α-helix	trans	-64.6	-16.7	-173.4	79.4	-175	-172.1	151	-1.8	114.2	Y174 L175 H180 S181 V185	Y174-R178 HydrophobicContact CD2-CB 4.48Å; Y174-R178 VanDerWaalsContact CE1-CD 3.48Å; Y174-R178 HydrophobicContact CE2-CB 4.08Å; Y174-R178 PolarHBondContact O-N 2.89Å; L175-R178 VanDerWaalsContact CD2-CZ 3.44Å; L175-R178 VanDerWaalsContact CD2-NE 3.31Å; R178-H180 PolarHBondContact O-N 2.77Å; R178-S181 PolarHBondContact O-N 2.83Å; R178-S181 VanDerWaalsContact O-N 3.16Å; R178-V185 HydrophobicContact CB-CG2 3.85Å
179	G	88.5	Confident	94.6	Very high	43 Å²	43	60.6 Å²	60.6	44%	0.443	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	-128.9	-173.7	0	0	0	0	0	111.4	A177 S181	A177-G179 PolarHBondContact O-N 3.15Å; G179-S181 VanDerWaalsContact C-N 3.35Å
180	H	88	Confident	94.6	Very high	204 Å²	204	59.8 Å²	59.8	94%	0.944	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	0.4	178.8	-58.7	94.3	0	0	0	113.6	R178	R178-H180 PolarHBondContact O-N 2.77Å
181	S	86.6	Confident	94.7	Very high	46 Å²	46	59.7 Å²	59.7	32%	0.322	32%	0.317	S	S	.	.			trans	-93.4	128.7	-175.8	-176.9	0	0	0	0	111	R178 G179 K183	R178-S181 PolarHBondContact O-N 2.83Å; R178-S181 VanDerWaalsContact O-N 3.16Å; G179-S181 VanDerWaalsContact C-N 3.35Å; S181-K183 PolarHBondContact O-N 2.84Å; S181-K183 VanDerWaalsContact OG-CD 3.27Å; S181-K183 WeakPolarHBondContact OG-CD 3.26Å; S181-K183 WeakPolarHBondContact OG-CG 3.37Å
182	E	90.6	Very high	94.7	Very high	139 Å²	139	59.8 Å²	59.8	65%	0.65	32%	0.318	S	S	*	.			trans	-82.5	59.9	170.3	-63.8	-172.8	160.3	0	0	110.9
183	K	93.8	Very high	94.6	Very high	143 Å²	143	51.9 Å²	51.9	62%	0.622	29%	0.288	S	S	*	.	S	Bend	trans	-122.6	149.2	-179.6	-71.8	179.5	-171.1	180	0	111.3	S181	S181-K183 PolarHBondContact O-N 2.84Å; S181-K183 VanDerWaalsContact OG-CD 3.27Å; S181-K183 WeakPolarHBondContact OG-CD 3.26Å; S181-K183 WeakPolarHBondContact OG-CG 3.37Å
184	P	96.6	Very high	94.5	Very high	56 Å²	56	51.6 Å²	51.6	36%	0.364	28%	0.284	S	S	.	.			trans	-57.5	144.3	169.4	-21.2	31.8	0	0	0	111.5	M143 Y144 F145	M143-P184 HydrophobicContact CB-CB 3.9Å; M143-P184 HydrophobicContact CE-CB 4.15Å; Y144-P184 CarbonylContact O-C 3.57Å; Y144-P184 WeakPolarHBondContact O-CA 2.93Å; F145-P184 HydrophobicContact CB-CB 4.09Å; F145-P184 HydrophobicContact CB-CG 4.05Å; F145-P184 HydrophobicContact CD2-CG 4.08Å; F145-P184 HydrophobicContact CG-CG 4.28Å
185	V	97.1	Very high	94.2	Very high	14 Å²	14	56.6 Å²	56.6	9%	0.085	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.4	176.8	-175.8	0	0	0	0	108.9	Y144 Y174 A177 R178 L187 F216	Y144-V185 PolarHBondContact N-O 2.61Å; Y144-V185 PolarHBondContact O-N 2.66Å; Y174-V185 HydrophobicContact CD2-CB 4.28Å; Y174-V185 HydrophobicContact CD2-CG2 4.08Å; Y174-V185 HydrophobicContact CE2-CB 4.46Å; Y174-V185 HydrophobicContact CE2-CG2 3.97Å; A177-V185 HydrophobicContact CB-CG1 4.3Å; R178-V185 HydrophobicContact CB-CG2 3.85Å; V185-L187 PolarHBondContact O-N 3.48Å; V185-F216 HydrophobicContact CB-CD1 3.99Å; V185-F216 HydrophobicContact CG1-CB 4.06Å; V185-F216 HydrophobicContact CG1-CD1 3.82Å; V185-F216 HydrophobicContact CG1-CG 4.38Å
186	L	97.6	Very high	93.9	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	126.2	177.7	-175.6	66.9	0	0	0	110.2	R141 M143 F216 Y217 K220 D221	R141-L186 HydrophobicContact CG-CD1 3.87Å; R141-L186 HydrophobicContact CG-CG 4.38Å; R141-L186 VanDerWaalsContact NH2-CD2 3.27Å; M143-L186 HydrophobicContact CE-CB 4.34Å; M143-L186 HydrophobicContact SD-CB 3.91Å; M143-L186 HydrophobicContact SD-CD1 3.71Å; M143-L186 HydrophobicContact SD-CG 4.43Å; L186-F216 CarbonylContact O-C 3.46Å; L186-F216 VanDerWaalsContact O-CA 3.32Å; L186-F216 WeakPolarHBondContact O-CA 2.86Å; L186-Y217 HydrophobicContact CG-CD2 4.49Å; L186-Y217 PolarHBondContact O-N 3.28Å; L186-K220 HydrophobicContact CB-CB 4.49Å; L186-K220 WeakPolarHBondContact CB-O 3.49Å; L186-K220 HydrophobicContact CD2-CB 3.64Å; L186-D221 WeakPolarHBondContact CD2-O 3.28Å
187	L	98	Very high	93.6	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.2	179.6	172.7	64.1	0	0	0	109.1	R141 G142 Y144 F153 L170 V185 V189 F216	R141-L187 VanDerWaalsContact CA-O 3.28Å; R141-L187 WeakPolarHBondContact CA-O 3.31Å; G142-L187 PolarHBondContact N-O 3.22Å; G142-L187 PolarHBondContact O-N 2.86Å; Y144-L187 HydrophobicContact CD2-CD2 3.75Å; Y144-L187 HydrophobicContact CG-CD2 3.98Å; F153-L187 HydrophobicContact CD2-CD2 4.18Å; F153-L187 HydrophobicContact CE2-CB 4.19Å; F153-L187 HydrophobicContact CE2-CD2 4.07Å; F153-L187 HydrophobicContact CE2-CG 4.28Å; L170-L187 HydrophobicContact CD1-CD1 3.97Å; L170-L187 HydrophobicContact CD1-CD2 3.92Å; L170-L187 HydrophobicContact CD2-CD2 4.23Å; V185-L187 PolarHBondContact O-N 3.48Å; L187-V189 HydrophobicContact CD1-CB 4.25Å; L187-V189 HydrophobicContact CD2-CB 4.16Å; L187-V189 HydrophobicContact CD2-CG1 3.95Å; L187-V189 HydrophobicContact CG-CB 4.04Å; L187-V189 HydrophobicContact CG-CG1 4.11Å; L187-F216 HydrophobicContact CB-CD1 4.08Å; L187-F216 HydrophobicContact CB-CE1 3.9Å; L187-F216 HydrophobicContact CD1-CD1 4.16Å; L187-F216 HydrophobicContact CD1-CD2 4.26Å; L187-F216 HydrophobicContact CD1-CE1 3.95Å; L187-F216 HydrophobicContact CD1-CE2 4.03Å; L187-F216 HydrophobicContact CD1-CG 4.31Å; L187-F216 HydrophobicContact CD1-CZ 3.86Å; L187-F216 HydrophobicContact CD2-CE1 4.33Å; L187-F216 HydrophobicContact CD2-CZ 4.28Å; L187-F216 HydrophobicContact CG-CE1 4.28Å; L187-F216 HydrophobicContact CG-CZ 4.46Å
188	S	97.5	Very high	93	Very high	30 Å²	30	56.8 Å²	56.8	21%	0.21	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127	161	-170.1	0	0	0	0	108.1	L140 G214 K215	L140-S188 WeakPolarHBondContact O-CA 3.19Å; S188-G214 CarbonylContact O-C 3.58Å; S188-G214 WeakPolarHBondContact O-CA 3.38Å; S188-K215 PolarHBondContact N-O 3.39Å; S188-K215 PolarHBondContact O-N 3.18Å
189	V	97.9	Very high	92.2	Very high	5 Å²	5	58.3 Å²	58.3	3%	0.03	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	145.2	-174.7	65.4	0	0	0	0	109.7	L140 F153 L187 L208 P210	L140-V189 PolarHBondContact N-O 2.78Å; L140-V189 PolarHBondContact O-N 2.78Å; F153-V189 HydrophobicContact CE2-CG1 4.33Å; L187-V189 HydrophobicContact CD1-CB 4.25Å; L187-V189 HydrophobicContact CD2-CB 4.16Å; L187-V189 HydrophobicContact CD2-CG1 3.95Å; L187-V189 HydrophobicContact CG-CB 4.04Å; L187-V189 HydrophobicContact CG-CG1 4.11Å; V189-L208 HydrophobicContact CG1-CD2 4.45Å; V189-P210 HydrophobicContact CG2-CB 3.97Å
190	E	97.6	Very high	91.7	Very high	89 Å²	89	63.3 Å²	63.3	42%	0.416	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	134.2	162.3	-63.8	-179.5	-178.1	0	0	109.5	P137 M138 D211 T212	P137-E190 HydrophobicContact CB-CB 4.4Å; M138-E190 VanDerWaalsContact O-CA 3.28Å; M138-E190 WeakPolarHBondContact O-CA 3.49Å; E190-D211 PolarHBondContact O-N 2.97Å; E190-T212 HydrophobicContact CB-CG2 3.75Å; E190-T212 HydrophobicContact CG-CG2 4.23Å; E190-T212 PolarHBondContact N-OG1 3Å; E190-T212 PolarHBondContact O-N 3.1Å; E190-T212 PolarHBondContact O-OG1 2.85Å
191	G	97.4	Very high	91.7	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	172	-179.5	0	0	0	0	0	112	M138 A209 D211	M138-G191 WeakPolarHBondContact CG-O 2.89Å; M138-G191 PolarHBondContact N-O 2.99Å; M138-G191 PolarHBondContact O-N 3.33Å; G191-A209 CarbonylContact C-O 3.4Å; G191-A209 WeakPolarHBondContact CA-O 3.38Å; G191-D211 WeakPolarHBondContact CA-OD2 3.45Å
192	H	97.1	Very high	91.6	Very high	28 Å²	28	58.5 Å²	58.5	13%	0.13	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	162.6	172.3	63.6	-85.1	0	0	0	110.7	A209 D211	H192-A209 PolarHBondContact N-O 2.93Å; H192-A209 PolarHBondContact O-N 2.89Å; H192-D211 IonicContact CE1-OD1 3.88Å; H192-D211 PolarHBondContact CE1-OD1 2.79Å; H192-D211 IonicContact CE1-OD2 3.55Å; H192-D211 IonicContact CG-OD2 3.13Å; H192-D211 PolarHBondContact N-OD2 2.8Å; H192-D211 VanDerWaalsContact N-OD2 3.12Å; H192-D211 VanDerWaalsContact ND1-CG 3.33Å; H192-D211 IonicContact ND1-OD1 2.8Å; H192-D211 PolarHBondContact ND1-OD1 3.32Å; H192-D211 VanDerWaalsContact ND1-OD1 3.13Å; H192-D211 IonicContact ND1-OD2 3.42Å; H192-D211 PolarHBondContact ND1-OD2 2.98Å
193	F	94.6	Very high	91.4	Very high	4 Å²	4	54 Å²	54	2%	0.018	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	134.1	174.2	-68.1	-74.5	0	0	0	110.4	V61 L133 M138 L140 F162 K206 V207 L208	V61-F193 HydrophobicContact CG2-CD2 3.66Å; V61-F193 HydrophobicContact CG2-CE2 4.03Å; L133-F193 WeakPolarHBondContact CB-O 3.4Å; L133-F193 HydrophobicContact CD1-CB 4.07Å; M138-F193 HydrophobicContact CE-CD2 3.61Å; M138-F193 HydrophobicContact CE-CE2 3.94Å; M138-F193 HydrophobicContact SD-CD2 4.29Å; M138-F193 HydrophobicContact SD-CE2 4.01Å; L140-F193 HydrophobicContact CD2-CE2 4.27Å; L140-F193 HydrophobicContact CD2-CZ 3.89Å; F162-F193 HydrophobicContact CD1-CE1 4.37Å; F162-F193 AromaticContact CD2-CE1 3.85Å; F162-F193 HydrophobicContact CD2-CE1 3.85Å; F162-F193 HydrophobicContact CD2-CZ 4.15Å; F162-F193 HydrophobicContact CE2-CE1 4.06Å; F162-F193 AromaticContact CE2-CZ 3.95Å; F162-F193 HydrophobicContact CE2-CZ 3.95Å; F162-F193 AromaticContact CG-CE1 4Å; F162-F193 HydrophobicContact CG-CE1 4Å; F162-F193 HydrophobicContact CZ-CE1 4.4Å; F162-F193 HydrophobicContact CZ-CZ 4.34Å; F193-K206 HydrophobicContact CB-CD 4.25Å; F193-K206 HydrophobicContact CB-CG 4.1Å; F193-K206 HydrophobicContact CD1-CD 3.88Å; F193-K206 HydrophobicContact CD1-CG 3.81Å; F193-K206 HydrophobicContact CE1-CD 4.49Å; F193-K206 HydrophobicContact CG-CD 4.13Å; F193-K206 HydrophobicContact CG-CG 4.24Å; F193-V207 WeakPolarHBondContact CA-O 3.2Å; F193-L208 HydrophobicContact CE1-CB 4.37Å
194	T	92.7	Very high	91	Very high	41 Å²	41	51.9 Å²	51.9	25%	0.252	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	172.3	174.1	-170.5	0	0	0	0	110.2	E196 K206 V207 A209	T194-E196 HydrophobicContact CG2-CG 4.36Å; T194-K206 CarbonylContact O-C 3.56Å; T194-K206 WeakPolarHBondContact O-CA 2.79Å; T194-V207 HydrophobicContact CG2-CG2 3.53Å; T194-V207 PolarHBondContact N-O 3.37Å; T194-V207 PolarHBondContact O-N 3.04Å; T194-A209 HydrophobicContact CG2-CB 4.06Å
195	L	90.1	Very high	90.6	Very high	105 Å²	105	51.4 Å²	51.4	55%	0.55	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.5	174.3	-64	176.9	0	0	0	109.2	L133 P204 T205 K206	L133-L195 HydrophobicContact CD1-CD2 4.28Å; L133-L195 HydrophobicContact CD1-CG 4.34Å; L195-P204 HydrophobicContact CB-CB 4.43Å; L195-T205 WeakPolarHBondContact CA-O 3.4Å; L195-K206 HydrophobicContact CD2-CB 4.39Å
196	E	89.6	Confident	90.2	Very high	80 Å²	80	52 Å²	52	37%	0.374	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	152.6	170.9	-73.9	-175.6	-158.9	0	0	110.4	A165 T194 N198 P204 T205 V207	A165-E196 WeakPolarHBondContact CB-OE1 3.18Å; T194-E196 HydrophobicContact CG2-CG 4.36Å; E196-N198 PolarHBondContact O-N 3.43Å; E196-P204 CarbonylContact O-C 3.58Å; E196-P204 WeakPolarHBondContact O-CA 3.32Å; E196-T205 PolarHBondContact N-O 2.85Å; E196-T205 PolarHBondContact O-N 2.81Å; E196-V207 HydrophobicContact CB-CG1 4.01Å; E196-V207 HydrophobicContact CB-CG2 3.95Å; E196-V207 HydrophobicContact CG-CG2 3.64Å
197	A	86.3	Confident	90.1	Very high	72 Å²	72	52.2 Å²	52.2	60%	0.595	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	124.9	174.3	0	0	0	0	0	109.4
198	N	82.5	Confident	90	Very high	29 Å²	29	52.2 Å²	52.2	16%	0.155	32%	0.319	C	S	.	.			trans	-59.6	129.9	171.1	175.2	-79.7	0	0	0	109.2	E196 D200 T201 G202 A203	E196-N198 PolarHBondContact O-N 3.43Å; N198-D200 PolarHBondContact O-N 2.71Å; N198-D200 WeakPolarHBondContact OD1-CB 3.27Å; N198-D200 PolarHBondContact OD1-N 2.89Å; N198-T201 VanDerWaalsContact CB-OG1 3.29Å; N198-T201 WeakPolarHBondContact CB-OG1 3.29Å; N198-T201 VanDerWaalsContact CG-OG1 3.26Å; N198-T201 PolarHBondContact O-N 2.85Å; N198-T201 PolarHBondContact OD1-N 2.68Å; N198-T201 PolarHBondContact OD1-OG1 2.71Å; N198-G202 VanDerWaalsContact O-CA 3.24Å; N198-G202 WeakPolarHBondContact O-CA 3.39Å; N198-G202 PolarHBondContact O-N 3.32Å; N198-A203 WeakPolarHBondContact CB-O 3.37Å; N198-A203 PolarHBondContact N-O 2.8Å
199	P	75.8	Confident	90	Very high	95 Å²	95	51.4 Å²	51.4	62%	0.617	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-28.4	-173	23.7	-33.6	0	0	0	113.4
200	D	79.3	Confident	90	Very high	148 Å²	148	52.3 Å²	52.3	79%	0.791	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-36.7	-177.3	-56	-47.7	0	0	0	112.7	N198	N198-D200 PolarHBondContact O-N 2.71Å; N198-D200 WeakPolarHBondContact OD1-CB 3.27Å; N198-D200 PolarHBondContact OD1-N 2.89Å
201	T	86.4	Confident	90	Very high	100 Å²	100	51.5 Å²	51.5	61%	0.613	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-16.6	-170.6	61.1	0	0	0	0	114.1	N198 A203	N198-T201 VanDerWaalsContact CB-OG1 3.29Å; N198-T201 WeakPolarHBondContact CB-OG1 3.29Å; N198-T201 VanDerWaalsContact CG-OG1 3.26Å; N198-T201 PolarHBondContact O-N 2.85Å; N198-T201 PolarHBondContact OD1-N 2.68Å; N198-T201 PolarHBondContact OD1-OG1 2.71Å; T201-A203 PolarHBondContact O-N 2.78Å; T201-A203 VanDerWaalsContact O-N 3.13Å; T201-A203 PolarHBondContact OG1-N 2.86Å
202	G	85.4	Confident	90	Very high	50 Å²	50	54 Å²	54	52%	0.515	33%	0.334	S	S	.	.			trans	68.8	-4.3	-170.6	0	0	0	0	0	114.6	N198	N198-G202 VanDerWaalsContact O-CA 3.24Å; N198-G202 WeakPolarHBondContact O-CA 3.39Å; N198-G202 PolarHBondContact O-N 3.32Å
203	A	86.8	Confident	89.9	Confident	45 Å²	45	55 Å²	55	37%	0.372	35%	0.348	S	S	.	.			trans	-71.5	139.7	-178.6	0	0	0	0	0	111	N198 T201 T205	N198-A203 WeakPolarHBondContact CB-O 3.37Å; N198-A203 PolarHBondContact N-O 2.8Å; T201-A203 PolarHBondContact O-N 2.78Å; T201-A203 VanDerWaalsContact O-N 3.13Å; T201-A203 PolarHBondContact OG1-N 2.86Å; A203-T205 PolarHBondContact O-N 3.28Å; A203-T205 PolarHBondContact O-OG1 3.03Å
204	P	85.8	Confident	90	Very high	98 Å²	98	56.3 Å²	56.3	64%	0.636	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	124.8	176.1	26.1	-33.5	0	0	0	110	L195 E196	L195-P204 HydrophobicContact CB-CB 4.43Å; E196-P204 CarbonylContact O-C 3.58Å; E196-P204 WeakPolarHBondContact O-CA 3.32Å
205	T	87.8	Confident	90.2	Very high	45 Å²	45	60.2 Å²	60.2	28%	0.276	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	139.8	179.9	-60.6	0	0	0	0	109.2	M163 L195 E196 A203 V207	M163-T205 HydrophobicContact SD-CG2 4.35Å; L195-T205 WeakPolarHBondContact CA-O 3.4Å; E196-T205 PolarHBondContact N-O 2.85Å; E196-T205 PolarHBondContact O-N 2.81Å; A203-T205 PolarHBondContact O-N 3.28Å; A203-T205 PolarHBondContact O-OG1 3.03Å; T205-V207 PolarHBondContact O-N 3.43Å
206	K	89.1	Confident	90.5	Very high	27 Å²	27	56.7 Å²	56.7	12%	0.117	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	122.4	174.3	-175.1	178.8	68.5	-174.8	0	109.7	E55 D57 T59 L133 F193 T194 L195	E55-K206 IonicContact OE1-NZ 3.8Å; D57-K206 IonicContact OD2-NZ 3.69Å; T59-K206 PolarHBondContact OG1-NZ 2.88Å; L133-K206 HydrophobicContact CD1-CD 4.44Å; L133-K206 HydrophobicContact CD1-CG 4.21Å; F193-K206 HydrophobicContact CB-CD 4.25Å; F193-K206 HydrophobicContact CB-CG 4.1Å; F193-K206 HydrophobicContact CD1-CD 3.88Å; F193-K206 HydrophobicContact CD1-CG 3.81Å; F193-K206 HydrophobicContact CE1-CD 4.49Å; F193-K206 HydrophobicContact CG-CD 4.13Å; F193-K206 HydrophobicContact CG-CG 4.24Å; T194-K206 CarbonylContact O-C 3.56Å; T194-K206 WeakPolarHBondContact O-CA 2.79Å; L195-K206 HydrophobicContact CD2-CB 4.39Å
207	V	94.3	Very high	90.7	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.024	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	151.6	176.6	-53.2	0	0	0	0	110.3	M163 A165 F193 T194 E196 T205	M163-V207 HydrophobicContact CB-CB 4.46Å; M163-V207 HydrophobicContact CB-CG1 3.92Å; M163-V207 CarbonylContact O-C 3.52Å; M163-V207 WeakPolarHBondContact O-CA 3.23Å; A165-V207 HydrophobicContact CB-CG2 4.34Å; F193-V207 WeakPolarHBondContact CA-O 3.2Å; T194-V207 HydrophobicContact CG2-CG2 3.53Å; T194-V207 PolarHBondContact N-O 3.37Å; T194-V207 PolarHBondContact O-N 3.04Å; E196-V207 HydrophobicContact CB-CG1 4.01Å; E196-V207 HydrophobicContact CB-CG2 3.95Å; E196-V207 HydrophobicContact CG-CG2 3.64Å; T205-V207 PolarHBondContact O-N 3.43Å
208	L	97	Very high	90.8	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	115.9	169.3	175.7	62.9	0	0	0	109	L140 F153 M163 V164 A165 V189 F193	L140-L208 HydrophobicContact CD1-CD1 3.63Å; L140-L208 HydrophobicContact CD1-CD2 4.41Å; L140-L208 HydrophobicContact CD2-CD1 3.98Å; L140-L208 HydrophobicContact CD2-CD2 4.24Å; L140-L208 HydrophobicContact CG-CD1 4.47Å; F153-L208 HydrophobicContact CB-CD2 4.36Å; F153-L208 HydrophobicContact CD1-CD2 4.13Å; F153-L208 HydrophobicContact CD2-CD2 4.3Å; F153-L208 HydrophobicContact CE1-CD2 4.41Å; F153-L208 HydrophobicContact CG-CD2 4.04Å; M163-L208 PolarHBondContact O-N 2.92Å; V164-L208 CarbonylContact C-O 3.47Å; V164-L208 WeakPolarHBondContact CA-O 3.24Å; V164-L208 VanDerWaalsContact CG1-O 3.32Å; V164-L208 WeakPolarHBondContact CG1-O 3.29Å; A165-L208 PolarHBondContact N-O 3.18Å; V189-L208 HydrophobicContact CG1-CD2 4.45Å; F193-L208 HydrophobicContact CE1-CB 4.37Å
209	A	97.2	Very high	90.9	Very high	13 Å²	13	64.1 Å²	64.1	11%	0.107	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	119.9	171.8	0	0	0	0	0	109.3	A165 G191 H192 T194	A165-A209 HydrophobicContact CB-CB 4.34Å; G191-A209 CarbonylContact C-O 3.4Å; G191-A209 WeakPolarHBondContact CA-O 3.38Å; H192-A209 PolarHBondContact N-O 2.93Å; H192-A209 PolarHBondContact O-N 2.89Å; T194-A209 HydrophobicContact CG2-CB 4.06Å
210	P	97.8	Very high	91.7	Very high	24 Å²	24	64.5 Å²	64.5	16%	0.156	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	128.7	177.4	29.6	-33.1	0	0	0	111.1	N167 L170 V189	N167-P210 HydrophobicContact CB-CG 4Å; L170-P210 HydrophobicContact CD2-CB 4.38Å; L170-P210 HydrophobicContact CD2-CG 4.28Å; V189-P210 HydrophobicContact CG2-CB 3.97Å
211	D	97.3	Very high	92.4	Very high	72 Å²	72	61 Å²	61	39%	0.385	36%	0.357	S	S	.	.	S	Bend	trans	-96.2	-11.4	174.6	-67.4	-68	0	0	0	112.2	P137 E190 G191 H192	P137-D211 HydrophobicContact CB-CB 4.08Å; P137-D211 HydrophobicContact CG-CB 3.98Å; E190-D211 PolarHBondContact O-N 2.97Å; G191-D211 WeakPolarHBondContact CA-OD2 3.45Å; H192-D211 IonicContact CE1-OD1 3.88Å; H192-D211 PolarHBondContact CE1-OD1 2.79Å; H192-D211 IonicContact CE1-OD2 3.55Å; H192-D211 IonicContact CG-OD2 3.13Å; H192-D211 PolarHBondContact N-OD2 2.8Å; H192-D211 VanDerWaalsContact N-OD2 3.12Å; H192-D211 VanDerWaalsContact ND1-CG 3.33Å; H192-D211 IonicContact ND1-OD1 2.8Å; H192-D211 PolarHBondContact ND1-OD1 3.32Å; H192-D211 VanDerWaalsContact ND1-OD1 3.13Å; H192-D211 IonicContact ND1-OD2 3.42Å; H192-D211 PolarHBondContact ND1-OD2 2.98Å
212	T	96.8	Very high	92.7	Very high	52 Å²	52	58.2 Å²	58.2	32%	0.319	34%	0.341	S	S	.	.	S	Bend	trans	-133.1	163.2	178	56.9	0	0	0	0	111.1	E190 G214	E190-T212 HydrophobicContact CB-CG2 3.75Å; E190-T212 HydrophobicContact CG-CG2 4.23Å; E190-T212 PolarHBondContact N-OG1 3Å; E190-T212 PolarHBondContact O-N 3.1Å; E190-T212 PolarHBondContact O-OG1 2.85Å; T212-G214 PolarHBondContact O-N 3.33Å; T212-G214 VanDerWaalsContact O-N 3.16Å
213	A	96.1	Very high	92.9	Very high	51 Å²	51	60.4 Å²	60.4	42%	0.421	35%	0.348	S	S	.	.			trans	-61.3	-22.8	176.5	0	0	0	0	0	113.5	L170	L170-A213 WeakPolarHBondContact CD1-O 3.17Å
214	G	95.7	Very high	92.7	Very high	30 Å²	30	59.7 Å²	59.7	31%	0.309	34%	0.34	S	S	.	.			trans	70.2	175.7	-176.2	0	0	0	0	0	113.9	S188 T212	S188-G214 CarbonylContact O-C 3.58Å; S188-G214 WeakPolarHBondContact O-CA 3.38Å; T212-G214 PolarHBondContact O-N 3.33Å; T212-G214 VanDerWaalsContact O-N 3.16Å
215	K	96.5	Very high	91.6	Very high	123 Å²	123	59 Å²	59	54%	0.535	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	119.5	179.6	-178.8	171.4	172.2	-173.8	0	110.8	S188 Y217	S188-K215 PolarHBondContact N-O 3.39Å; S188-K215 PolarHBondContact O-N 3.18Å; K215-Y217 HydrophobicContact CB-CE2 4.26Å; K215-Y217 HydrophobicContact CD-CE1 4.18Å; K215-Y217 HydrophobicContact CD-CE2 4.36Å; K215-Y217 WeakPolarHBondContact CD-OH 3.3Å; K215-Y217 HydrophobicContact CG-CE1 4.4Å; K215-Y217 HydrophobicContact CG-CE2 4Å; K215-Y217 WeakPolarHBondContact O-CD2 3.22Å; K215-Y217 VanDerWaalsContact O-CE2 3.32Å; K215-Y217 WeakPolarHBondContact O-CE2 3.16Å
216	F	96.8	Very high	90	Very high	32 Å²	32	60.4 Å²	60.4	14%	0.14	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	143.7	174.1	-68.9	-81.5	0	0	0	111.6	Y144 L170 Y174 A177 V185 L186 L187	Y144-F216 AromaticContact CD1-CE1 3.73Å; Y144-F216 HydrophobicContact CD1-CE1 3.73Å; Y144-F216 AromaticContact CD1-CZ 3.92Å; Y144-F216 HydrophobicContact CD1-CZ 3.92Å; Y144-F216 HydrophobicContact CE1-CZ 4.29Å; Y144-F216 AromaticContact CG-CE1 3.99Å; Y144-F216 HydrophobicContact CG-CE1 3.99Å; Y144-F216 HydrophobicContact CG-CZ 4.28Å; L170-F216 HydrophobicContact CD1-CE2 3.72Å; L170-F216 HydrophobicContact CD1-CZ 3.69Å; L170-F216 HydrophobicContact CG-CZ 4.25Å; Y174-F216 HydrophobicContact CD2-CE1 4.2Å; Y174-F216 HydrophobicContact CG-CE1 4.5Å; A177-F216 HydrophobicContact CB-CB 3.82Å; A177-F216 HydrophobicContact CB-CG 4.11Å; V185-F216 HydrophobicContact CB-CD1 3.99Å; V185-F216 HydrophobicContact CG1-CB 4.06Å; V185-F216 HydrophobicContact CG1-CD1 3.82Å; V185-F216 HydrophobicContact CG1-CG 4.38Å; L186-F216 CarbonylContact O-C 3.46Å; L186-F216 VanDerWaalsContact O-CA 3.32Å; L186-F216 WeakPolarHBondContact O-CA 2.86Å; L187-F216 HydrophobicContact CB-CD1 4.08Å; L187-F216 HydrophobicContact CB-CE1 3.9Å; L187-F216 HydrophobicContact CD1-CD1 4.16Å; L187-F216 HydrophobicContact CD1-CD2 4.26Å; L187-F216 HydrophobicContact CD1-CE1 3.95Å; L187-F216 HydrophobicContact CD1-CE2 4.03Å; L187-F216 HydrophobicContact CD1-CG 4.31Å; L187-F216 HydrophobicContact CD1-CZ 3.86Å; L187-F216 HydrophobicContact CD2-CE1 4.33Å; L187-F216 HydrophobicContact CD2-CZ 4.28Å; L187-F216 HydrophobicContact CG-CE1 4.28Å; L187-F216 HydrophobicContact CG-CZ 4.46Å
217	Y	94.3	Very high	87.3	Confident	57 Å²	57	71.1 Å²	71.1	22%	0.224	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	112.1	177.4	-62.1	-90.9	0	0	0	109.9	L186 K215 K220	L186-Y217 HydrophobicContact CG-CD2 4.49Å; L186-Y217 PolarHBondContact O-N 3.28Å; K215-Y217 HydrophobicContact CB-CE2 4.26Å; K215-Y217 HydrophobicContact CD-CE1 4.18Å; K215-Y217 HydrophobicContact CD-CE2 4.36Å; K215-Y217 WeakPolarHBondContact CD-OH 3.3Å; K215-Y217 HydrophobicContact CG-CE1 4.4Å; K215-Y217 HydrophobicContact CG-CE2 4Å; K215-Y217 WeakPolarHBondContact O-CD2 3.22Å; K215-Y217 VanDerWaalsContact O-CE2 3.32Å; K215-Y217 WeakPolarHBondContact O-CE2 3.16Å; Y217-K220 HydrophobicContact CD1-CD 4.33Å; Y217-K220 HydrophobicContact CG-CD 4.5Å
218	L	88.5	Confident	86.9	Confident	103 Å²	103	74.5 Å²	74.5	54%	0.539	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	143	178.4	-61.4	171.2	0	0	0	111.1	A177 K220	A177-L218 HydrophobicContact CB-CD2 3.93Å; A177-L218 WeakPolarHBondContact O-CD2 3.35Å; L218-K220 PolarHBondContact O-N 3.42Å
219	N	85	Confident	86.4	Confident	177 Å²	177	78.3 Å²	78.3	95%	0.947	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	24.5	177.5	-52.3	-40.1	0	0	0	113.8
220	K	92.5	Very high	85.8	Confident	102 Å²	102	81.9 Å²	81.9	44%	0.443	47%	0.465	S	S	.	.			trans	-118.1	151.1	172.3	-67.5	-158.3	179.1	-163	0	109.2	L186 Y217 L218	L186-K220 HydrophobicContact CB-CB 4.49Å; L186-K220 WeakPolarHBondContact CB-O 3.49Å; L186-K220 HydrophobicContact CD2-CB 3.64Å; Y217-K220 HydrophobicContact CD1-CD 4.33Å; Y217-K220 HydrophobicContact CG-CD 4.5Å; L218-K220 PolarHBondContact O-N 3.42Å
221	D	93.1	Very high	85.1	Confident	75 Å²	75	85.4 Å²	85.4	40%	0.401	48%	0.483	S	S	.	.			trans	-133.1	-173.5	174.5	60.8	28.1	0	0	0	110.3	M143 L186 S223 S224	M143-D221 HydrophobicContact SD-CB 4.4Å; L186-D221 WeakPolarHBondContact CD2-O 3.28Å; D221-S223 PolarHBondContact O-N 3.35Å; D221-S223 WeakPolarHBondContact OD1-CA 2.91Å; D221-S223 VanDerWaalsContact OD1-CB 3.32Å; D221-S223 WeakPolarHBondContact OD1-CB 3.49Å; D221-S223 PolarHBondContact OD1-N 2.92Å; D221-S223 PolarHBondContact OD1-OG 2.77Å; D221-S223 PolarHBondContact OD2-OG 2.77Å; D221-S224 WeakPolarHBondContact O-CB 3.36Å; D221-S224 PolarHBondContact O-N 2.85Å; D221-S224 PolarHBondContact O-OG 3.32Å; D221-S224 PolarHBondContact OD1-N 2.72Å; D221-S224 VanDerWaalsContact OD1-N 3.15Å
222	C	93.8	Very high	84.3	Confident	41 Å²	41	86.2 Å²	86.2	28%	0.277	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-63.9	-22	177.4	-64.6	0	0	0	0	114	C156 S224 L225	C156-C222 WeakPolarHBondContact CA-SG 3.26Å; C156-C222 HydrophobicContact CB-CB 3.62Å; C156-C222 WeakPolarHBondContact CB-SG 3.41Å; C156-C222 WeakPolarHBondContact SG-CA 3.48Å; C156-C222 WeakPolarHBondContact SG-CB 3.47Å; C156-C222 CovalentContact SG-SG 2.04Å; C156-C222 PolarHBondContact SG-SG 3.02Å; C222-S224 VanDerWaalsContact C-N 3.32Å; C222-L225 WeakPolarHBondContact O-CB 3.05Å; C222-L225 WeakPolarHBondContact O-CD1 3.44Å
223	S	89.8	Confident	83.5	Confident	96 Å²	96	88.5 Å²	88.5	67%	0.671	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-76.5	-22.4	177.3	76.6	0	0	0	0	112.7	D221 L225	D221-S223 PolarHBondContact O-N 3.35Å; D221-S223 WeakPolarHBondContact OD1-CA 2.91Å; D221-S223 VanDerWaalsContact OD1-CB 3.32Å; D221-S223 WeakPolarHBondContact OD1-CB 3.49Å; D221-S223 PolarHBondContact OD1-N 2.92Å; D221-S223 PolarHBondContact OD1-OG 2.77Å; D221-S223 PolarHBondContact OD2-OG 2.77Å; S223-L225 PolarHBondContact O-N 2.79Å
224	S	81.6	Confident	82.6	Confident	30 Å²	30	91.1 Å²	91.1	21%	0.21	51%	0.506	C	S	.	.	G	3₁₀ helix	trans	-67.2	3.7	174.6	74.3	0	0	0	0	114.9	R141 D221 C222	R141-S224 PolarHBondContact NH2-OG 3.01Å; D221-S224 WeakPolarHBondContact O-CB 3.36Å; D221-S224 PolarHBondContact O-N 2.85Å; D221-S224 PolarHBondContact O-OG 3.32Å; D221-S224 PolarHBondContact OD1-N 2.72Å; D221-S224 VanDerWaalsContact OD1-N 3.15Å; C222-S224 VanDerWaalsContact C-N 3.32Å
225	L	61.7	Low	81.6	Confident	83 Å²	83	95.8 Å²	95.8	44%	0.435	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-84.7	-14.1	-179.7	-85.9	160.6	0	0	0	114.2	R141 C156 C222 S223	R141-L225 HydrophobicContact CG-CD1 4.4Å; C156-L225 HydrophobicContact CB-CD1 3.76Å; C222-L225 WeakPolarHBondContact O-CB 3.05Å; C222-L225 WeakPolarHBondContact O-CD1 3.44Å; S223-L225 PolarHBondContact O-N 2.79Å
226	G	54.2	Low	80.4	Confident	76 Å²	76	93.6 Å²	93.6	78%	0.784	52%	0.52	S	S	*	.			trans	-96.8	13.1	-179.8	0	0	0	0	0	115.5
227	Q	33.2	Very low	78.9	Confident	251 Å²	251	99.2 Å²	99.2	100%	1.173	56%	0.555	S	S	*	*			trans	-124.5	0	177.8	-71	-175.3	14.1	0	0	111.7

Retrieved 227 of 227 residues in 132.1 ms (Link to these results)

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