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Cytotoxic T-lymphocyte protein 4

Inhibitory receptor acting as a major negative regulator of T-cell responses. The affinity of CTLA4 for its natural B7 family ligands, CD80 and CD86, is considerably stronger than the affinity of their cognate stimulatory coreceptor CD28.

AlphaFold DB , UniProt , Accession A0A093I912, Species STRCA (Struthio camelus australis), Gene n/a, Length 205 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	49.5	Very low	50.4	Low	200 Å²	200	121 Å²	121	99%	0.985	68%	0.681	S	S	*	*				0	-43	0	-64	-97.1	85.5	0	0	112
2	L	48	Very low	50.6	Low	151 Å²	151	119.6 Å²	119.6	79%	0.791	68%	0.682	S	S	*	*	H	α-helix	trans	-69.4	-34.7	176.2	-118.7	74.5	0	0	0	115	V4 L5	L2-V4 VanDerWaalsContact C-N 3.27Å; L2-V4 PolarHBondContact O-N 3.19Å; L2-L5 PolarHBondContact O-N 3.47Å
3	S	48.4	Very low	50.7	Low	94 Å²	94	119.9 Å²	119.9	66%	0.657	69%	0.688	S	S	*	*	H	α-helix	trans	-69	-20.7	-176.9	-169.5	0	0	0	0	114.5	T7	S3-T7 PolarHBondContact O-OG1 3.17Å
4	V	51.8	Low	50.8	Low	93 Å²	93	118.1 Å²	118.1	56%	0.564	70%	0.695	S	S	*	*	H	α-helix	trans	-84.9	-28.6	-179	-177.1	0	0	0	0	111.1	L2 T7 V8	L2-V4 VanDerWaalsContact C-N 3.27Å; L2-V4 PolarHBondContact O-N 3.19Å; V4-T7 PolarHBondContact O-OG1 3.16Å; V4-V8 WeakPolarHBondContact O-CG2 3.49Å; V4-V8 PolarHBondContact O-N 3.33Å
5	L	51.4	Low	51.1	Low	134 Å²	134	118.2 Å²	118.2	70%	0.702	70%	0.698	S	S	*	*	H	α-helix	trans	-71.3	-33.9	174.6	-92.7	113.1	0	0	0	112.6	L2 V8 G9	L2-L5 PolarHBondContact O-N 3.47Å; L5-V8 PolarHBondContact O-N 3.47Å; L5-G9 PolarHBondContact O-N 3.29Å
6	V	52.4	Low	51.3	Low	94 Å²	94	116.8 Å²	116.8	57%	0.57	70%	0.704	S	S	*	*	H	α-helix	trans	-70.8	-34.3	180	-178	0	0	0	0	111.5
7	T	51.7	Low	51.7	Low	84 Å²	84	118.9 Å²	118.9	52%	0.515	71%	0.708	S	S	.	*	H	α-helix	trans	-73.4	-31.3	176.7	48.8	0	0	0	0	112.8	S3 V4	S3-T7 PolarHBondContact O-OG1 3.17Å; V4-T7 PolarHBondContact O-OG1 3.16Å
8	V	51.7	Low	52.2	Low	102 Å²	102	116.7 Å²	116.7	62%	0.618	71%	0.705	S	S	*	*	H	α-helix	trans	-79.2	-27.1	176.1	178.5	0	0	0	0	111.7	V4 L5 F10	V4-V8 WeakPolarHBondContact O-CG2 3.49Å; V4-V8 PolarHBondContact O-N 3.33Å; L5-V8 PolarHBondContact O-N 3.47Å; V8-F10 PolarHBondContact O-N 3.02Å
9	G	48.7	Very low	53.1	Low	49 Å²	49	118 Å²	118	51%	0.505	70%	0.703	S	S	.	*	H	α-helix	trans	-72.3	-21.5	176.1	0	0	0	0	0	115.2	L5	L5-G9 PolarHBondContact O-N 3.29Å
10	F	50.4	Low	54.5	Low	174 Å²	174	117.6 Å²	117.6	76%	0.763	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-9.5	-176.9	-108.3	-87.8	0	0	0	114.9	V8	V8-F10 PolarHBondContact O-N 3.02Å
11	L	50.7	Low	56.1	Low	156 Å²	156	112.4 Å²	112.4	82%	0.817	67%	0.67	S	S	*	*	S	Bend	trans	-89.5	-0.6	-177.9	-89.9	145.7	0	0	0	114.2
12	C	52.8	Low	58.1	Low	104 Å²	104	106.9 Å²	106.9	70%	0.703	64%	0.642	S	S	*	*	S	Bend	trans	-113.5	1.2	-169.4	-101.6	0	0	0	0	117.1
13	T	51.3	Low	60.3	Low	124 Å²	124	100 Å²	100	76%	0.761	61%	0.606	S	S	*	*	S	Bend	trans	-109.2	15.8	-171.7	59.7	0	0	0	0	115.7
14	A	52.5	Low	62.5	Low	94 Å²	94	98 Å²	98	78%	0.777	59%	0.59	S	S	*	*			trans	-128.6	47.4	174.2	0	0	0	0	0	111.8	A16	A14-A16 PolarHBondContact O-N 3.29Å
15	T	54.5	Low	64.6	Low	120 Å²	120	94.9 Å²	94.9	74%	0.736	57%	0.569	S	S	*	*			trans	-73.1	86.8	156.3	54.7	0	0	0	0	106.9	I17	T15-I17 PolarHBondContact O-N 3.37Å
16	A	54.8	Low	66.7	Low	96 Å²	96	90.7 Å²	90.7	79%	0.793	55%	0.55	S	S	*	.			trans	-57.1	106.5	161	0	0	0	0	0	106.3	A14 A18	A14-A16 PolarHBondContact O-N 3.29Å; A16-A18 PolarHBondContact O-N 3.19Å
17	I	57.6	Low	68.7	Low	152 Å²	152	90.2 Å²	90.2	78%	0.779	56%	0.555	S	S	*	*			trans	-64.6	104.4	174.2	-58.7	171	0	0	0	104.8	T15 E19	T15-I17 PolarHBondContact O-N 3.37Å; I17-E19 PolarHBondContact O-N 2.9Å; I17-E19 VanDerWaalsContact O-N 3.1Å
18	A	60.7	Low	70.7	Confident	80 Å²	80	92.4 Å²	92.4	66%	0.661	56%	0.561	S	S	*	*			trans	-63.2	114.3	173.5	0	0	0	0	0	107.1	A16 V20	A16-A18 PolarHBondContact O-N 3.19Å; A18-V20 PolarHBondContact O-N 3.18Å
19	E	69.6	Low	72.8	Confident	141 Å²	141	88.6 Å²	88.6	66%	0.659	54%	0.538	S	S	*	.			trans	-67.2	106.7	174	-65	-169.8	154.2	0	0	108.4	I17 H45	I17-E19 PolarHBondContact O-N 2.9Å; I17-E19 VanDerWaalsContact O-N 3.1Å; E19-H45 HydrophobicContact CB-CB 3.95Å; E19-H45 IonicContact OE1-CE1 2.76Å; E19-H45 PolarHBondContact OE1-CE1 2.79Å; E19-H45 IonicContact OE1-ND1 3.75Å; E19-H45 IonicContact OE2-CE1 3.21Å; E19-H45 PolarHBondContact OE2-CE1 3.03Å; E19-H45 IonicContact OE2-CG 2.74Å; E19-H45 IonicContact OE2-ND1 2.85Å; E19-H45 PolarHBondContact OE2-ND1 3.18Å
20	V	80.8	Confident	75	Confident	109 Å²	109	91.1 Å²	91.1	66%	0.661	54%	0.54	S	S	*	.			trans	-82.7	135.2	176.9	179.9	0	0	0	0	108.3	A18 E22	A18-V20 PolarHBondContact O-N 3.18Å; V20-E22 PolarHBondContact O-N 3.36Å
21	M	87.8	Confident	77	Confident	10 Å²	10	83.1 Å²	83.1	5%	0.049	51%	0.506	C	S	.	.			trans	-53.5	124.1	174.1	178	173.6	72.6	0	0	109.3	K44 I46 M115 F124 N126	M21-K44 WeakPolarHBondContact CA-O 3.43Å; M21-I46 HydrophobicContact SD-CD1 3.89Å; M21-I46 HydrophobicContact SD-CG1 3.88Å; M21-M115 HydrophobicContact CE-CB 4.31Å; M21-M115 WeakPolarHBondContact CE-O 3.41Å; M21-F124 HydrophobicContact CE-CB 4.48Å; M21-N126 HydrophobicContact CE-CB 3.72Å; M21-N126 WeakPolarHBondContact O-CB 3.36Å; M21-N126 PolarHBondContact O-ND2 3.08Å
22	E	91.6	Very high	78.9	Confident	84 Å²	84	80 Å²	80	39%	0.393	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.2	-178.9	-171.1	-169.7	179.6	0	0	109	V20 T24 Y43 K44	V20-E22 PolarHBondContact O-N 3.36Å; E22-T24 HydrophobicContact CG-CG2 4.32Å; E22-Y43 CarbonylContact O-C 3.57Å; E22-Y43 WeakPolarHBondContact O-CA 3.42Å; E22-K44 HydrophobicContact CB-CB 4.41Å; E22-K44 PolarHBondContact N-O 3.08Å; E22-K44 VanDerWaalsContact N-O 3.09Å; E22-K44 PolarHBondContact O-N 3.07Å; E22-K44 IonicContact OE2-NZ 3.81Å
23	V	94.4	Very high	80.4	Confident	7 Å²	7	83.6 Å²	83.6	4%	0.042	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.5	175.5	-177.6	0	0	0	0	108.7	C41 K42 M115 N126 G128	V23-C41 HydrophobicContact CG1-CB 4.46Å; V23-K42 CarbonylContact C-O 3.57Å; V23-K42 WeakPolarHBondContact CA-O 3.46Å; V23-M115 HydrophobicContact CG1-CG 4.28Å; V23-M115 HydrophobicContact CG1-SD 4.39Å; V23-M115 HydrophobicContact CG2-CB 3.84Å; V23-M115 HydrophobicContact CG2-CG 3.9Å; V23-M115 HydrophobicContact CG2-SD 4.13Å; V23-N126 HydrophobicContact CG2-CB 4.22Å; V23-G128 WeakPolarHBondContact O-CA 3.14Å
24	T	94.7	Very high	82.1	Confident	51 Å²	51	85.2 Å²	85.2	31%	0.313	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.5	179.1	55.2	0	0	0	0	109.8	E22 K42	E22-T24 HydrophobicContact CG-CG2 4.32Å; T24-K42 PolarHBondContact N-O 2.95Å; T24-K42 PolarHBondContact O-N 2.92Å; T24-K42 WeakPolarHBondContact OG1-CB 3.45Å; T24-K42 PolarHBondContact OG1-O 3.27Å
25	Q	95.9	Very high	83.8	Confident	28 Å²	28	81.1 Å²	81.1	13%	0.131	45%	0.454	C	S	.	.			trans	-131.3	154	-176.8	-68.1	-175.7	-97	0	0	109.9	Y111 C113 G128 T131	Q25-Y111 PolarHBondContact NE2-O 3.45Å; Q25-C113 HydrophobicContact CG-CB 3.93Å; Q25-C113 VanDerWaalsContact NE2-N 3.15Å; Q25-G128 VanDerWaalsContact OE1-C 3.29Å; Q25-T131 PolarHBondContact NE2-OG1 3.09Å
26	P	95.3	Very high	85.5	Confident	46 Å²	46	77.4 Å²	77.4	30%	0.299	43%	0.431	S	S	.	.			trans	-64.9	143.5	169.5	27.6	-33.6	0	0	0	110.2	M28 V29 V40 T131	P26-M28 VanDerWaalsContact C-N 3.34Å; P26-M28 PolarHBondContact O-N 3.39Å; P26-V29 HydrophobicContact CB-CG2 4.2Å; P26-V29 HydrophobicContact CG-CG2 3.74Å; P26-V40 WeakPolarHBondContact CD-O 3.48Å; P26-T131 HydrophobicContact CG-CG2 4.01Å; P26-T131 VanDerWaalsContact O-CA 3.31Å; P26-T131 WeakPolarHBondContact O-CA 2.85Å; P26-T131 VanDerWaalsContact O-CB 3.23Å; P26-T131 WeakPolarHBondContact O-CB 3.37Å; P26-T131 WeakPolarHBondContact O-CG2 3.29Å; P26-T131 PolarHBondContact O-OG1 3.29Å
27	A	94.8	Very high	87.4	Confident	83 Å²	83	72.9 Å²	72.9	69%	0.686	39%	0.394	S	S	*	.	S	Bend	trans	-67.9	-35.1	179	0	0	0	0	0	112.5	H132	A27-H132 PolarHBondContact O-N 3.41Å
28	M	93.8	Very high	89.1	Confident	131 Å²	131	68.6 Å²	68.6	65%	0.645	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.7	145.8	-179.6	58.7	178.9	-86.4	0	0	111.3	P26 H132	P26-M28 VanDerWaalsContact C-N 3.34Å; P26-M28 PolarHBondContact O-N 3.39Å; M28-H132 VanDerWaalsContact CA-O 3.28Å; M28-H132 WeakPolarHBondContact CA-O 3.49Å
29	V	95.6	Very high	90.6	Very high	22 Å²	22	64.9 Å²	64.9	13%	0.133	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	138.7	172.4	172.5	0	0	0	0	108.4	P26 A37 T131 H132 L133 Y134	P26-V29 HydrophobicContact CB-CG2 4.2Å; P26-V29 HydrophobicContact CG-CG2 3.74Å; V29-A37 HydrophobicContact CG1-CB 4.29Å; V29-T131 HydrophobicContact CB-CG2 3.97Å; V29-T131 HydrophobicContact CG2-CG2 3.6Å; V29-H132 PolarHBondContact N-O 2.89Å; V29-L133 HydrophobicContact CB-CD1 4.23Å; V29-L133 HydrophobicContact CG1-CD1 4.06Å; V29-L133 WeakPolarHBondContact O-CA 3.35Å; V29-Y134 PolarHBondContact O-N 2.85Å
30	L	94.4	Very high	91.8	Very high	101 Å²	101	60.3 Å²	60.3	53%	0.529	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.9	174.9	-170.4	69.3	0	0	0	109.4	I136	L30-I136 HydrophobicContact CD1-CD1 3.76Å; L30-I136 HydrophobicContact CD1-CG1 3.98Å; L30-I136 HydrophobicContact CD2-CD1 4.16Å; L30-I136 HydrophobicContact CG-CD1 4.37Å
31	A	93.3	Very high	92.5	Very high	6 Å²	6	55.1 Å²	55.1	5%	0.05	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-71.6	144.3	171	0	0	0	0	0	110.6	V36 A37 L103 Y134 V135	A31-V36 WeakPolarHBondContact CA-O 3.35Å; A31-A37 HydrophobicContact CB-CB 4Å; A31-L103 HydrophobicContact CB-CD1 4.16Å; A31-Y134 PolarHBondContact N-O 2.98Å; A31-V135 HydrophobicContact CB-CB 4.29Å; A31-V135 HydrophobicContact CB-CG1 4.11Å; A31-V135 HydrophobicContact CB-CG2 4.03Å
32	N	90.6	Very high	92.8	Very high	90 Å²	90	60.5 Å²	60.5	48%	0.481	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-66.4	161.9	170.9	-169.6	9.3	0	0	0	110.4	Q34 G35 V36	N32-Q34 PolarHBondContact O-N 3.19Å; N32-G35 PolarHBondContact O-N 3.43Å; N32-V36 WeakPolarHBondContact CB-O 3.39Å; N32-V36 PolarHBondContact N-O 3.15Å
33	R	85.2	Confident	92.8	Very high	180 Å²	180	57.3 Å²	57.3	68%	0.679	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-18.2	176.2	-63.3	-174.4	178.9	-175.7	-1.7	114.4	G35 P138	R33-G35 VanDerWaalsContact C-N 3.3Å; R33-P138 HydrophobicContact CB-CB 4.4Å; R33-P138 WeakPolarHBondContact O-CG 3.08Å
34	Q	86.2	Confident	92.6	Very high	158 Å²	158	62.4 Å²	62.4	74%	0.738	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	7.2	175.1	-65.8	-179.1	-24.7	0	0	113.2	N32 V36	N32-Q34 PolarHBondContact O-N 3.19Å; Q34-V36 HydrophobicContact CB-CG2 4.21Å
35	G	87.4	Confident	92.3	Very high	8 Å²	8	64 Å²	64	8%	0.082	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	34	-176.2	0	0	0	0	0	112.8	N32 R33 G102 L103	N32-G35 PolarHBondContact O-N 3.43Å; R33-G35 VanDerWaalsContact C-N 3.3Å; G35-G102 PolarHBondContact O-N 3.15Å; G35-L103 WeakPolarHBondContact CA-O 3.31Å; G35-L103 WeakPolarHBondContact O-CB 3.5Å; G35-L103 PolarHBondContact O-N 3.05Å
36	V	92	Very high	91.8	Very high	42 Å²	42	63.8 Å²	63.8	26%	0.255	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.4	-179.9	-177.8	0	0	0	0	110	A31 N32 Q34 T99 L100 T101	A31-V36 WeakPolarHBondContact CA-O 3.35Å; N32-V36 WeakPolarHBondContact CB-O 3.39Å; N32-V36 PolarHBondContact N-O 3.15Å; Q34-V36 HydrophobicContact CB-CG2 4.21Å; V36-T99 HydrophobicContact CG1-CG2 3.93Å; V36-L100 CarbonylContact C-O 3.53Å; V36-L100 VanDerWaalsContact CA-O 3.3Å; V36-L100 WeakPolarHBondContact CA-O 3.24Å; V36-T101 HydrophobicContact CG1-CG2 4.01Å; V36-T101 HydrophobicContact CG2-CG2 3.95Å
37	A	93.6	Very high	91.2	Very high	2 Å²	2	64.1 Å²	64.1	2%	0.017	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	142.1	176.6	0	0	0	0	0	111.5	V29 A31 T99 L100 L103 L133	V29-A37 HydrophobicContact CG1-CB 4.29Å; A31-A37 HydrophobicContact CB-CB 4Å; A37-T99 CarbonylContact O-C 3.46Å; A37-T99 WeakPolarHBondContact O-CA 3.43Å; A37-L100 PolarHBondContact N-O 3.37Å; A37-L100 PolarHBondContact O-N 2.83Å; A37-L103 HydrophobicContact CB-CD1 3.52Å; A37-L133 HydrophobicContact CB-CD1 3.47Å; A37-L133 VanDerWaalsContact CB-CD1 3.47Å
38	S	93.4	Very high	90.6	Very high	62 Å²	62	67.2 Å²	67.2	43%	0.434	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118	177.5	-62.8	0	0	0	0	110.4	L98 T99	S38-L98 CarbonylContact C-O 3.51Å; S38-L98 WeakPolarHBondContact CA-O 3.32Å; S38-T99 PolarHBondContact OG-OG1 3.34Å
39	L	93.4	Very high	90.2	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.1	177	-57.7	95.9	0	0	0	108.9	T97 L98 L100 T131	L39-T97 CarbonylContact O-C 3.56Å; L39-T97 WeakPolarHBondContact O-CA 3.31Å; L39-L98 PolarHBondContact N-O 3.34Å; L39-L98 PolarHBondContact O-N 3.28Å; L39-L100 HydrophobicContact CD1-CD1 3.55Å; L39-L100 HydrophobicContact CD1-CG 3.93Å; L39-T131 HydrophobicContact CD2-CG2 3.92Å
40	V	94.6	Very high	89.7	Confident	46 Å²	46	66 Å²	66	28%	0.279	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	113.9	179.4	-177.1	0	0	0	0	109.4	P26 K42 N95 V96 T97	P26-V40 WeakPolarHBondContact CD-O 3.48Å; V40-K42 HydrophobicContact CG1-CG 4.23Å; V40-N95 HydrophobicContact CG1-CB 4.09Å; V40-V96 WeakPolarHBondContact CA-O 3.5Å; V40-T97 HydrophobicContact CG2-CG2 4.26Å
41	C	94.1	Very high	89.5	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	116.2	171.3	-44.8	0	0	0	0	108.7	V23 N95 V96 L98 C113	V23-C41 HydrophobicContact CG1-CB 4.46Å; C41-N95 CarbonylContact O-C 3.6Å; C41-N95 WeakPolarHBondContact O-CA 3.35Å; C41-N95 WeakPolarHBondContact O-CB 3.17Å; C41-V96 PolarHBondContact N-O 3.3Å; C41-V96 PolarHBondContact O-N 3.13Å; C41-L98 WeakPolarHBondContact SG-CD1 3.39Å; C41-C113 HydrophobicContact CB-CB 3.88Å; C41-C113 WeakPolarHBondContact CB-SG 3.33Å; C41-C113 WeakPolarHBondContact SG-CB 3.3Å; C41-C113 CovalentContact SG-SG 2.03Å; C41-C113 PolarHBondContact SG-SG 3.25Å
42	K	94.6	Very high	89.3	Confident	122 Å²	122	64.7 Å²	64.7	53%	0.53	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	141.8	172.9	-53.2	178.7	179.1	175.2	0	108.8	V23 T24 V40 N94 N95	V23-K42 CarbonylContact C-O 3.57Å; V23-K42 WeakPolarHBondContact CA-O 3.46Å; T24-K42 PolarHBondContact N-O 2.95Å; T24-K42 PolarHBondContact O-N 2.92Å; T24-K42 WeakPolarHBondContact OG1-CB 3.45Å; T24-K42 PolarHBondContact OG1-O 3.27Å; V40-K42 HydrophobicContact CG1-CG 4.23Å; K42-N94 WeakPolarHBondContact CA-O 3.49Å; K42-N95 HydrophobicContact CB-CB 4.33Å; K42-N95 HydrophobicContact CG-CB 3.96Å
43	Y	92.1	Very high	89.3	Confident	17 Å²	17	63.7 Å²	63.7	7%	0.067	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	150.1	178.7	57	-90.1	0	0	0	111.7	E22 I46 S92 R93 N94 N95 V96 M115	E22-Y43 CarbonylContact O-C 3.57Å; E22-Y43 WeakPolarHBondContact O-CA 3.42Å; Y43-I46 HydrophobicContact CD2-CB 3.89Å; Y43-I46 HydrophobicContact CD2-CD1 3.69Å; Y43-I46 HydrophobicContact CD2-CG1 4.42Å; Y43-I46 HydrophobicContact CD2-CG2 3.95Å; Y43-I46 HydrophobicContact CE2-CB 4.17Å; Y43-I46 HydrophobicContact CE2-CD1 3.88Å; Y43-I46 HydrophobicContact CE2-CG2 3.75Å; Y43-I46 HydrophobicContact CG-CD1 4.22Å; Y43-S92 PolarHBondContact OH-O 3.48Å; Y43-R93 PolarHBondContact OH-O 3.45Å; Y43-N94 VanDerWaalsContact CE1-C 3.42Å; Y43-N94 PolarHBondContact N-O 3.3Å; Y43-N95 VanDerWaalsContact CE1-N 3.34Å; Y43-V96 HydrophobicContact CE1-CG2 3.94Å; Y43-M115 VanDerWaalsContact CB-SD 3.59Å; Y43-M115 HydrophobicContact CD1-CE 3.31Å; Y43-M115 HydrophobicContact CD1-SD 3.39Å; Y43-M115 WeakPolarHBondContact CD1-SD 3.32Å; Y43-M115 HydrophobicContact CE1-CE 3.63Å; Y43-M115 HydrophobicContact CE1-SD 4.3Å; Y43-M115 HydrophobicContact CG-CE 3.89Å; Y43-M115 HydrophobicContact CG-SD 3.74Å
44	K	90.6	Very high	89.6	Confident	115 Å²	115	55.1 Å²	55.1	50%	0.5	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	160.2	173.7	-62.6	-179.9	-173.4	164	0	110	M21 E22 I46	M21-K44 WeakPolarHBondContact CA-O 3.43Å; E22-K44 HydrophobicContact CB-CB 4.41Å; E22-K44 PolarHBondContact N-O 3.08Å; E22-K44 VanDerWaalsContact N-O 3.09Å; E22-K44 PolarHBondContact O-N 3.07Å; E22-K44 IonicContact OE2-NZ 3.81Å; K44-I46 PolarHBondContact O-N 3.14Å
45	H	87.7	Confident	89.8	Confident	85 Å²	85	47.7 Å²	47.7	39%	0.394	25%	0.25	S	C	.	.			trans	57	33.9	173	-51.2	-69.6	0	0	0	114.2	E19 G47	E19-H45 HydrophobicContact CB-CB 3.95Å; E19-H45 IonicContact OE1-CE1 2.76Å; E19-H45 PolarHBondContact OE1-CE1 2.79Å; E19-H45 IonicContact OE1-ND1 3.75Å; E19-H45 IonicContact OE2-CE1 3.21Å; E19-H45 PolarHBondContact OE2-CE1 3.03Å; E19-H45 IonicContact OE2-CG 2.74Å; E19-H45 IonicContact OE2-ND1 2.85Å; E19-H45 PolarHBondContact OE2-ND1 3.18Å; H45-G47 PolarHBondContact O-N 3.34Å
46	I	84.8	Confident	90.1	Very high	23 Å²	23	47.3 Å²	47.3	12%	0.118	25%	0.246	C	C	.	.			trans	-74	-13.2	177.2	-154.8	149.4	0	0	0	112.8	M21 Y43 K44 A49 I52 M115 R117	M21-I46 HydrophobicContact SD-CD1 3.89Å; M21-I46 HydrophobicContact SD-CG1 3.88Å; Y43-I46 HydrophobicContact CD2-CB 3.89Å; Y43-I46 HydrophobicContact CD2-CD1 3.69Å; Y43-I46 HydrophobicContact CD2-CG1 4.42Å; Y43-I46 HydrophobicContact CD2-CG2 3.95Å; Y43-I46 HydrophobicContact CE2-CB 4.17Å; Y43-I46 HydrophobicContact CE2-CD1 3.88Å; Y43-I46 HydrophobicContact CE2-CG2 3.75Å; Y43-I46 HydrophobicContact CG-CD1 4.22Å; K44-I46 PolarHBondContact O-N 3.14Å; I46-A49 HydrophobicContact CG1-CB 3.94Å; I46-A49 HydrophobicContact CG2-CB 4.38Å; I46-I52 HydrophobicContact CD1-CD1 3.63Å; I46-I52 HydrophobicContact CD1-CG1 3.98Å; I46-I52 HydrophobicContact CD1-CG2 4.22Å; I46-I52 HydrophobicContact CG1-CD1 4.33Å; I46-M115 HydrophobicContact CD1-CE 4.38Å; I46-R117 WeakPolarHBondContact O-CD 3.26Å
47	G	82.6	Confident	90.1	Very high	52 Å²	52	46.5 Å²	46.5	54%	0.536	24%	0.24	S	C	.	.			trans	66.7	-153	-178	0	0	0	0	0	112.9	H45 A49	H45-G47 PolarHBondContact O-N 3.34Å; G47-A49 PolarHBondContact O-N 3.44Å
48	N	82.9	Confident	90	Very high	148 Å²	148	48 Å²	48	79%	0.791	25%	0.246	S	C	*	.	S	Bend	trans	-80.9	53.7	177.4	-69	-25.1	0	0	0	111.9	P120	N48-P120 WeakPolarHBondContact O-CD 3.34Å; N48-P120 WeakPolarHBondContact O-CG 3.44Å
49	A	85.2	Confident	90	Very high	10 Å²	10	48.1 Å²	48.1	8%	0.083	24%	0.24	C	C	.	.			trans	-66.1	131.6	176.7	0	0	0	0	0	110.8	I46 G47 I52 T74 R117	I46-A49 HydrophobicContact CG1-CB 3.94Å; I46-A49 HydrophobicContact CG2-CB 4.38Å; G47-A49 PolarHBondContact O-N 3.44Å; A49-I52 HydrophobicContact CB-CD1 3.96Å; A49-I52 HydrophobicContact CB-CG1 3.77Å; A49-T74 WeakPolarHBondContact O-CG2 3.21Å; A49-R117 HydrophobicContact CB-CG 3.74Å
50	K	85.9	Confident	89.9	Confident	117 Å²	117	51.9 Å²	51.9	51%	0.509	26%	0.263	S	S	.	.	S	Bend	trans	-104.2	-30.5	173.7	-74.4	179.6	175.6	-174.9	0	111.9	T73 T74 Y119	K50-T73 CarbonylContact O-C 3.47Å; K50-T73 WeakPolarHBondContact O-CA 3.26Å; K50-T74 PolarHBondContact O-N 3.41Å; K50-Y119 HydrophobicContact CB-CD1 3.91Å; K50-Y119 HydrophobicContact CD-CD1 3.91Å; K50-Y119 HydrophobicContact CD-CE1 3.72Å; K50-Y119 PolarHBondContact N-O 3.49Å
51	E	88.7	Confident	89.5	Confident	75 Å²	75	52.3 Å²	52.3	35%	0.35	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	120	179.4	-169.3	176.2	-170.2	0	0	109.5	T71 M118 Y119	E51-T71 HydrophobicContact CG-CG2 3.59Å; E51-T71 WeakPolarHBondContact OE1-CG2 3.15Å; E51-M118 HydrophobicContact CB-CB 4.28Å; E51-M118 HydrophobicContact CG-CB 4.11Å; E51-M118 PolarHBondContact O-N 3.11Å; E51-Y119 PolarHBondContact N-O 2.94Å; E51-Y119 PolarHBondContact O-N 3.49Å
52	I	89.2	Confident	89.3	Confident	5 Å²	5	60 Å²	60	3%	0.026	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.6	-178.8	-59.6	165.7	0	0	0	107.3	I46 A49 V54 T71 Y72 M115 E116	I46-I52 HydrophobicContact CD1-CD1 3.63Å; I46-I52 HydrophobicContact CD1-CG1 3.98Å; I46-I52 HydrophobicContact CD1-CG2 4.22Å; I46-I52 HydrophobicContact CG1-CD1 4.33Å; A49-I52 HydrophobicContact CB-CD1 3.96Å; A49-I52 HydrophobicContact CB-CG1 3.77Å; I52-V54 HydrophobicContact CG2-CG2 4.16Å; I52-T71 WeakPolarHBondContact O-CA 3.23Å; I52-Y72 HydrophobicContact CB-CE1 4.23Å; I52-Y72 HydrophobicContact CB-CE2 4.07Å; I52-Y72 HydrophobicContact CD1-CE2 3.93Å; I52-Y72 HydrophobicContact CG2-CE1 4.1Å; I52-Y72 PolarHBondContact N-O 3.41Å; I52-Y72 PolarHBondContact O-N 2.96Å; I52-M115 HydrophobicContact CG2-CE 3.82Å; I52-E116 CarbonylContact C-O 3.58Å; I52-E116 VanDerWaalsContact CA-O 3.31Å; I52-E116 WeakPolarHBondContact CA-O 3.37Å
53	R	90.5	Very high	89.1	Confident	69 Å²	69	61 Å²	61	26%	0.26	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	132.3	168.3	-167.5	173.5	83.1	157.9	13.5	109.3	S70 T71 E116 M118	R53-S70 WeakPolarHBondContact CA-O 3.4Å; R53-T71 HydrophobicContact CB-CG2 4.5Å; R53-T71 WeakPolarHBondContact CG-OG1 3.39Å; R53-E116 HydrophobicContact CB-CB 4.19Å; R53-E116 IonicContact CZ-OE2 3.38Å; R53-E116 PolarHBondContact N-O 3.43Å; R53-E116 IonicContact NE-OE2 3.52Å; R53-E116 PolarHBondContact NE-OE2 3.36Å; R53-E116 IonicContact NH2-OE1 2.73Å; R53-E116 IonicContact NH2-OE2 3.45Å; R53-E116 PolarHBondContact NH2-OE2 2.81Å; R53-E116 PolarHBondContact O-N 3.31Å; R53-M118 HydrophobicContact CB-CE 3.8Å; R53-M118 HydrophobicContact CB-CG 4.13Å; R53-M118 HydrophobicContact CG-CE 4.32Å; R53-M118 VanDerWaalsContact NE-CE 3.33Å
54	V	91.6	Very high	89.1	Confident	1 Å²	1	65.5 Å²	65.5	1%	0.006	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.7	174.8	178	0	0	0	0	108	I52 A69 S70 Y72 V96 L98 K114 M115	I52-V54 HydrophobicContact CG2-CG2 4.16Å; V54-A69 CarbonylContact O-C 3.55Å; V54-A69 VanDerWaalsContact O-CA 3.32Å; V54-A69 WeakPolarHBondContact O-CA 3.35Å; V54-S70 PolarHBondContact N-O 2.9Å; V54-S70 PolarHBondContact O-N 3.46Å; V54-Y72 HydrophobicContact CG2-CE1 3.66Å; V54-V96 HydrophobicContact CG1-CG1 4.34Å; V54-V96 HydrophobicContact CG2-CG1 4.43Å; V54-V96 HydrophobicContact CG2-CG2 4.09Å; V54-L98 HydrophobicContact CG1-CD2 4.24Å; V54-K114 WeakPolarHBondContact CA-O 3.45Å; V54-M115 HydrophobicContact CG2-CE 3.59Å; V54-M115 HydrophobicContact CG2-CG 4.25Å
55	T	91.9	Very high	89	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.006	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	129.2	178.8	-57.3	0	0	0	0	108.7	L57 E66 C68 A69 K114	T55-L57 HydrophobicContact CG2-CD2 3.75Å; T55-L57 HydrophobicContact CG2-CG 4.3Å; T55-E66 HydrophobicContact CG2-CB 4.4Å; T55-E66 HydrophobicContact CG2-CG 3.55Å; T55-E66 WeakPolarHBondContact CG2-OE2 3.4Å; T55-C68 CarbonylContact C-O 3.54Å; T55-C68 WeakPolarHBondContact CA-O 3.25Å; T55-A69 HydrophobicContact CG2-CB 4.29Å; T55-K114 PolarHBondContact N-O 3.05Å; T55-K114 WeakPolarHBondContact O-CB 3.47Å; T55-K114 PolarHBondContact O-N 3.47Å
56	L	92.3	Very high	89.1	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	121.6	171.2	-169	66.7	0	0	0	109.1	I67 C68 L98 L100 Y111	L56-I67 PolarHBondContact O-N 3.42Å; L56-C68 PolarHBondContact N-O 2.86Å; L56-L98 HydrophobicContact CB-CD2 3.87Å; L56-L98 HydrophobicContact CD1-CD2 4.3Å; L56-L98 HydrophobicContact CD2-CD2 4.35Å; L56-L98 HydrophobicContact CG-CD2 4.4Å; L56-L100 HydrophobicContact CD2-CD1 3.92Å; L56-L100 HydrophobicContact CD2-CD2 3.78Å; L56-L100 HydrophobicContact CD2-CG 4.24Å; L56-Y111 HydrophobicContact CD1-CD1 4.42Å; L56-Y111 HydrophobicContact CD2-CD1 3.91Å; L56-Y111 HydrophobicContact CD2-CE1 4.46Å; L56-Y111 HydrophobicContact CG-CD1 4.05Å
57	L	92.4	Very high	89.1	Confident	26 Å²	26	62 Å²	62	14%	0.136	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	133.9	179.6	-57.1	172.9	0	0	0	109.1	T55 T65 E66 Y111 I112 K114	T55-L57 HydrophobicContact CG2-CD2 3.75Å; T55-L57 HydrophobicContact CG2-CG 4.3Å; L57-T65 CarbonylContact C-O 3.43Å; L57-T65 WeakPolarHBondContact CA-O 3.49Å; L57-E66 HydrophobicContact CD2-CB 4.26Å; L57-Y111 CarbonylContact O-C 3.57Å; L57-Y111 VanDerWaalsContact O-CA 3.27Å; L57-Y111 WeakPolarHBondContact O-CA 3.43Å; L57-I112 HydrophobicContact CB-CB 4.39Å; L57-I112 PolarHBondContact N-O 2.84Å; L57-I112 PolarHBondContact O-N 2.87Å; L57-K114 HydrophobicContact CD1-CB 4.14Å; L57-K114 HydrophobicContact CD1-CD 4.41Å
58	K	92.1	Very high	89.3	Confident	33 Å²	33	59.8 Å²	59.8	14%	0.143	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.5	166.2	179.6	-177.9	-175.3	178.8	0	108.5	F64 T65 I67 N106 D107 Y111	K58-F64 WeakPolarHBondContact O-CA 3.45Å; K58-T65 PolarHBondContact N-O 3.43Å; K58-T65 PolarHBondContact O-N 3.43Å; K58-T65 PolarHBondContact O-OG1 3.04Å; K58-I67 HydrophobicContact CB-CD1 3.82Å; K58-I67 HydrophobicContact CB-CG1 3.67Å; K58-I67 HydrophobicContact CD-CD1 4.27Å; K58-N106 PolarHBondContact NZ-O 3.48Å; K58-D107 IonicContact NZ-OD1 3.52Å; K58-Y111 HydrophobicContact CB-CD1 4.22Å; K58-Y111 HydrophobicContact CB-CE1 3.98Å; K58-Y111 HydrophobicContact CD-CE1 4.41Å; K58-Y111 HydrophobicContact CG-CE1 4.26Å; K58-Y111 HydrophobicContact CG-CE2 4.43Å
59	Q	93.4	Very high	89.5	Confident	64 Å²	64	53 Å²	53	30%	0.299	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	124.1	174.9	-174.4	175.4	-19.1	0	0	109.8	G61 F64 L110	Q59-G61 WeakPolarHBondContact CG-O 3.29Å; Q59-G61 PolarHBondContact NE2-O 3.03Å; Q59-F64 HydrophobicContact CB-CD1 3.96Å; Q59-F64 HydrophobicContact CB-CE1 3.77Å; Q59-F64 HydrophobicContact CG-CD1 4.13Å; Q59-F64 HydrophobicContact CG-CE1 3.64Å; Q59-F64 HydrophobicContact CG-CZ 4.22Å; Q59-L110 HydrophobicContact CB-CB 4.36Å; Q59-L110 PolarHBondContact N-O 3.32Å
60	T	90.1	Very high	89.5	Confident	80 Å²	80	52.7 Å²	52.7	49%	0.491	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	94.7	175.3	-53.3	0	0	0	0	108.2	D62 Q63	T60-D62 PolarHBondContact O-N 2.93Å; T60-Q63 PolarHBondContact N-O 2.95Å; T60-Q63 PolarHBondContact O-N 3.17Å; T60-Q63 VanDerWaalsContact O-N 3.15Å
61	G	87.9	Confident	89.6	Confident	56 Å²	56	48.8 Å²	48.8	58%	0.577	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	-121.1	-169.9	0	0	0	0	0	111.3	Q59	Q59-G61 WeakPolarHBondContact CG-O 3.29Å; Q59-G61 PolarHBondContact NE2-O 3.03Å
62	D	89.1	Confident	89.2	Confident	160 Å²	160	45.4 Å²	45.4	86%	0.856	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-3.2	177	-68.6	-22.7	0	0	0	113.4	T60	T60-D62 PolarHBondContact O-N 2.93Å
63	Q	91.1	Very high	88.7	Confident	144 Å²	144	47.3 Å²	47.3	67%	0.673	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	141.8	-178.3	-66.8	-176.6	-20.5	0	0	111.7	T60	T60-Q63 PolarHBondContact N-O 2.95Å; T60-Q63 PolarHBondContact O-N 3.17Å; T60-Q63 VanDerWaalsContact O-N 3.15Å
64	F	90.8	Very high	87.4	Confident	112 Å²	112	48 Å²	48	49%	0.491	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	120.9	172.5	-62.2	-78.6	0	0	0	109.4	K58 Q59 I112	K58-F64 WeakPolarHBondContact O-CA 3.45Å; Q59-F64 HydrophobicContact CB-CD1 3.96Å; Q59-F64 HydrophobicContact CB-CE1 3.77Å; Q59-F64 HydrophobicContact CG-CD1 4.13Å; Q59-F64 HydrophobicContact CG-CE1 3.64Å; Q59-F64 HydrophobicContact CG-CZ 4.22Å; F64-I112 HydrophobicContact CD1-CD1 4.26Å; F64-I112 HydrophobicContact CE1-CD1 3.54Å; F64-I112 HydrophobicContact CZ-CD1 4.41Å
65	T	89.3	Confident	85.8	Confident	59 Å²	59	54.5 Å²	54.5	36%	0.362	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.9	174.3	55.1	0	0	0	0	109.4	L57 K58 I67	L57-T65 CarbonylContact C-O 3.43Å; L57-T65 WeakPolarHBondContact CA-O 3.49Å; K58-T65 PolarHBondContact N-O 3.43Å; K58-T65 PolarHBondContact O-N 3.43Å; K58-T65 PolarHBondContact O-OG1 3.04Å; T65-I67 PolarHBondContact O-N 2.84Å
66	E	89.3	Confident	84.2	Confident	74 Å²	74	59.7 Å²	59.7	35%	0.346	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	127.5	170.5	-176.9	162.6	145.7	0	0	109	T55 L57 A69	T55-E66 HydrophobicContact CG2-CB 4.4Å; T55-E66 HydrophobicContact CG2-CG 3.55Å; T55-E66 WeakPolarHBondContact CG2-OE2 3.4Å; L57-E66 HydrophobicContact CD2-CB 4.26Å; E66-A69 WeakPolarHBondContact OE1-CB 3.41Å
67	I	85.8	Confident	82.2	Confident	17 Å²	17	65.8 Å²	65.8	9%	0.087	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-41.8	179.1	-60.2	-62.7	0	0	0	110.2	L56 K58 T65 I85 Y111	L56-I67 PolarHBondContact O-N 3.42Å; K58-I67 HydrophobicContact CB-CD1 3.82Å; K58-I67 HydrophobicContact CB-CG1 3.67Å; K58-I67 HydrophobicContact CD-CD1 4.27Å; T65-I67 PolarHBondContact O-N 2.84Å; I67-I85 HydrophobicContact CG2-CB 4.39Å; I67-I85 HydrophobicContact CG2-CD1 4.22Å; I67-Y111 HydrophobicContact CG1-CE1 4.1Å
68	C	86	Confident	80.6	Confident	4 Å²	4	68.5 Å²	68.5	3%	0.027	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	144.9	171.4	51.1	0	0	0	0	110.4	T55 L56 C87	T55-C68 CarbonylContact C-O 3.54Å; T55-C68 WeakPolarHBondContact CA-O 3.25Å; L56-C68 PolarHBondContact N-O 2.86Å; C68-C87 HydrophobicContact CB-CB 3.29Å; C68-C87 WeakPolarHBondContact CB-SG 3.33Å; C68-C87 WeakPolarHBondContact SG-CB 3.28Å; C68-C87 CovalentContact SG-SG 2.06Å; C68-C87 PolarHBondContact SG-SG 3.43Å
69	A	86.4	Confident	78.7	Confident	6 Å²	6	74.3 Å²	74.3	5%	0.05	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.2	167.4	0	0	0	0	0	110	V54 T55 E66 V81	V54-A69 CarbonylContact O-C 3.55Å; V54-A69 VanDerWaalsContact O-CA 3.32Å; V54-A69 WeakPolarHBondContact O-CA 3.35Å; T55-A69 HydrophobicContact CG2-CB 4.29Å; E66-A69 WeakPolarHBondContact OE1-CB 3.41Å; A69-V81 PolarHBondContact O-N 2.92Å
70	S	86.6	Confident	76.8	Confident	3 Å²	3	75 Å²	75	2%	0.021	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	131.3	169.2	-167.1	0	0	0	0	111.7	R53 V54 F79	R53-S70 WeakPolarHBondContact CA-O 3.4Å; V54-S70 PolarHBondContact N-O 2.9Å; V54-S70 PolarHBondContact O-N 3.46Å; S70-F79 WeakPolarHBondContact CA-O 3.39Å; S70-F79 WeakPolarHBondContact CB-O 3.29Å; S70-F79 PolarHBondContact OG-O 3.44Å
71	T	86.2	Confident	75.1	Confident	35 Å²	35	75.6 Å²	75.6	22%	0.215	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	128.3	167.9	-52.5	0	0	0	0	107.8	E51 I52 R53 F79	E51-T71 HydrophobicContact CG-CG2 3.59Å; E51-T71 WeakPolarHBondContact OE1-CG2 3.15Å; I52-T71 WeakPolarHBondContact O-CA 3.23Å; R53-T71 HydrophobicContact CB-CG2 4.5Å; R53-T71 WeakPolarHBondContact CG-OG1 3.39Å; T71-F79 PolarHBondContact N-O 3.44Å; T71-F79 PolarHBondContact O-N 3.49Å
72	Y	82.3	Confident	73.2	Confident	5 Å²	5	81.8 Å²	81.8	2%	0.02	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141.3	170.7	65.1	-88.6	0	0	0	111.2	I52 V54 K77 P91 V96	I52-Y72 HydrophobicContact CB-CE1 4.23Å; I52-Y72 HydrophobicContact CB-CE2 4.07Å; I52-Y72 HydrophobicContact CD1-CE2 3.93Å; I52-Y72 HydrophobicContact CG2-CE1 4.1Å; I52-Y72 PolarHBondContact N-O 3.41Å; I52-Y72 PolarHBondContact O-N 2.96Å; V54-Y72 HydrophobicContact CG2-CE1 3.66Å; Y72-K77 VanDerWaalsContact CA-O 3.26Å; Y72-K77 WeakPolarHBondContact CA-O 3.36Å; Y72-P91 HydrophobicContact CD1-CB 4.05Å; Y72-P91 HydrophobicContact CD1-CG 3.88Å; Y72-P91 HydrophobicContact CD2-CB 3.68Å; Y72-P91 HydrophobicContact CD2-CG 3.84Å; Y72-P91 HydrophobicContact CE1-CB 3.95Å; Y72-P91 HydrophobicContact CE1-CG 4.27Å; Y72-P91 HydrophobicContact CE2-CB 3.6Å; Y72-P91 HydrophobicContact CE2-CG 4.27Å; Y72-P91 HydrophobicContact CG-CB 3.92Å; Y72-P91 HydrophobicContact CG-CG 3.65Å; Y72-V96 HydrophobicContact CE1-CG2 3.92Å; Y72-V96 WeakPolarHBondContact OH-CG2 3.36Å
73	T	78.7	Confident	71.7	Confident	45 Å²	45	79.4 Å²	79.4	28%	0.276	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	164.8	166.7	61	0	0	0	0	109.4	K50 E75 F76	K50-T73 CarbonylContact O-C 3.47Å; K50-T73 WeakPolarHBondContact O-CA 3.26Å; T73-E75 PolarHBondContact O-N 3.31Å; T73-E75 PolarHBondContact OG1-N 3.04Å; T73-F76 PolarHBondContact O-N 3.07Å
74	T	62.5	Low	70.2	Confident	83 Å²	83	79.7 Å²	79.7	51%	0.509	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-9.3	168.1	46.7	0	0	0	0	113.8	A49 K50 F76	A49-T74 WeakPolarHBondContact O-CG2 3.21Å; K50-T74 PolarHBondContact O-N 3.41Å; T74-F76 VanDerWaalsContact C-N 3.33Å
75	E	58.3	Low	69.1	Low	137 Å²	137	75.3 Å²	75.3	64%	0.64	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	10.4	170.9	-55.5	-177.3	170.8	0	0	113.4	T73 K77	T73-E75 PolarHBondContact O-N 3.31Å; T73-E75 PolarHBondContact OG1-N 3.04Å; E75-K77 VanDerWaalsContact C-N 3.29Å; E75-K77 PolarHBondContact O-N 3.45Å; E75-K77 IonicContact OE2-NZ 3.8Å
76	F	57.1	Low	68.7	Low	110 Å²	110	79.6 Å²	79.6	48%	0.482	41%	0.406	S	S	.	.			trans	58.7	28.3	174.8	-55.7	-85.6	0	0	0	115.6	T73 T74 P91	T73-F76 PolarHBondContact O-N 3.07Å; T74-F76 VanDerWaalsContact C-N 3.33Å; F76-P91 HydrophobicContact CD1-CB 3.85Å; F76-P91 HydrophobicContact CD1-CG 3.94Å; F76-P91 HydrophobicContact CE1-CB 4.07Å; F76-P91 WeakPolarHBondContact CE1-O 3.07Å
77	K	50.9	Low	68.5	Low	129 Å²	129	77 Å²	77	56%	0.561	40%	0.396	S	S	*	.			trans	-81.4	120.9	170.7	-70.5	178.4	-178.1	162.4	0	109.6	Y72 E75	Y72-K77 VanDerWaalsContact CA-O 3.26Å; Y72-K77 WeakPolarHBondContact CA-O 3.36Å; E75-K77 VanDerWaalsContact C-N 3.29Å; E75-K77 PolarHBondContact O-N 3.45Å; E75-K77 IonicContact OE2-NZ 3.8Å
78	M	58.6	Low	68.6	Low	83 Å²	83	81.5 Å²	81.5	41%	0.409	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	137	-178.1	-58.9	173.2	-164.8	0	0	110.9	V89 P91	M78-V89 WeakPolarHBondContact CE-O 3.07Å; M78-P91 HydrophobicContact CE-CG 4.2Å
79	F	51.7	Low	68.6	Low	154 Å²	154	81.6 Å²	81.6	68%	0.675	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.4	159.7	-69	-86.3	0	0	0	107.1	S70 T71	S70-F79 WeakPolarHBondContact CA-O 3.39Å; S70-F79 WeakPolarHBondContact CB-O 3.29Å; S70-F79 PolarHBondContact OG-O 3.44Å; T71-F79 PolarHBondContact N-O 3.44Å; T71-F79 PolarHBondContact O-N 3.49Å
80	S	55	Low	68.7	Low	78 Å²	78	83.8 Å²	83.8	55%	0.545	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	132.5	175.2	-171.6	0	0	0	0	108.5
81	V	53.7	Low	68.8	Low	93 Å²	93	84.2 Å²	84.2	56%	0.564	43%	0.434	S	S	*	.			trans	-89.4	134.8	165.5	-178.1	0	0	0	0	107.9	A69	A69-V81 PolarHBondContact O-N 2.92Å
82	E	48.3	Very low	68.8	Low	187 Å²	187	85 Å²	85	87%	0.874	44%	0.441	S	S	*	.			trans	-85.8	121.2	-167.2	-150.3	170	-156.6	0	0	110.5
83	E	56.3	Low	68.8	Low	109 Å²	109	95.2 Å²	95.2	51%	0.509	48%	0.48	S	S	.	.			trans	-140.5	173.1	167.9	-76.4	-159.8	-175.5	0	0	111	I85	E83-I85 CarbonylContact O-C 3.52Å; E83-I85 PolarHBondContact O-N 3.12Å
84	V	59.4	Low	69.2	Low	151 Å²	151	98.3 Å²	98.3	92%	0.915	50%	0.495	S	S	*	.	S	Bend	trans	-49.3	-24.6	-165.5	-173.3	0	0	0	0	115.1
85	I	68.3	Low	70.6	Confident	19 Å²	19	96.2 Å²	96.2	10%	0.097	48%	0.48	C	S	.	.	S	Bend	trans	-107.8	125.2	177.7	-58.5	170.7	0	0	0	108.8	I67 E83 C87 L100 L103	I67-I85 HydrophobicContact CG2-CB 4.39Å; I67-I85 HydrophobicContact CG2-CD1 4.22Å; E83-I85 CarbonylContact O-C 3.52Å; E83-I85 PolarHBondContact O-N 3.12Å; I85-C87 PolarHBondContact O-N 3.46Å; I85-L100 HydrophobicContact CG2-CB 4.3Å; I85-L100 HydrophobicContact CG2-CD2 4.23Å; I85-L103 HydrophobicContact CD1-CD2 4.3Å; I85-L103 HydrophobicContact CG2-CD2 4.33Å
86	Q	80.8	Confident	72.2	Confident	150 Å²	150	89.7 Å²	89.7	70%	0.701	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	111.5	174.4	-79.4	-179.9	-12.1	0	0	109.6	T101	Q86-T101 WeakPolarHBondContact CB-OG1 3.32Å; Q86-T101 PolarHBondContact O-N 3.03Å; Q86-T101 PolarHBondContact O-OG1 3.3Å; Q86-T101 PolarHBondContact OE1-OG1 3.02Å
87	C	85.4	Confident	73.9	Confident	19 Å²	19	86.2 Å²	86.2	13%	0.128	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	119.6	-179.9	175	0	0	0	0	109.6	C68 I85 T99 L100	C68-C87 HydrophobicContact CB-CB 3.29Å; C68-C87 WeakPolarHBondContact CB-SG 3.33Å; C68-C87 WeakPolarHBondContact SG-CB 3.28Å; C68-C87 CovalentContact SG-SG 2.06Å; C68-C87 PolarHBondContact SG-SG 3.43Å; I85-C87 PolarHBondContact O-N 3.46Å; C87-T99 WeakPolarHBondContact CA-O 3.44Å; C87-L100 HydrophobicContact CB-CD2 3.83Å
88	H	87.2	Confident	75.9	Confident	111 Å²	111	80.1 Å²	80.1	51%	0.514	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	117.3	174.6	-177.5	-72.1	0	0	0	109.8	T99	H88-T99 PolarHBondContact N-O 3.4Å; H88-T99 PolarHBondContact O-N 3.01Å
89	V	87.1	Confident	77.5	Confident	7 Å²	7	77.7 Å²	77.7	4%	0.042	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	119.2	-179.5	-176.8	0	0	0	0	109.3	M78 V96 L98	M78-V89 WeakPolarHBondContact CE-O 3.07Å; V89-V96 HydrophobicContact CG1-CG1 3.37Å; V89-L98 HydrophobicContact CG2-CD2 4.19Å; V89-L98 HydrophobicContact CG2-CG 4.39Å
90	S	88.7	Confident	79.4	Confident	52 Å²	52	70.4 Å²	70.4	36%	0.364	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	104.5	176	-173.7	0	0	0	0	109.9	T97	S90-T97 PolarHBondContact N-O 3.15Å; S90-T97 PolarHBondContact O-N 2.7Å
91	P	87.7	Confident	81	Confident	11 Å²	11	68.6 Å²	68.6	7%	0.071	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	143.4	175.1	5.8	7.1	0	0	0	110.9	Y72 F76 M78	Y72-P91 HydrophobicContact CD1-CB 4.05Å; Y72-P91 HydrophobicContact CD1-CG 3.88Å; Y72-P91 HydrophobicContact CD2-CB 3.68Å; Y72-P91 HydrophobicContact CD2-CG 3.84Å; Y72-P91 HydrophobicContact CE1-CB 3.95Å; Y72-P91 HydrophobicContact CE1-CG 4.27Å; Y72-P91 HydrophobicContact CE2-CB 3.6Å; Y72-P91 HydrophobicContact CE2-CG 4.27Å; Y72-P91 HydrophobicContact CG-CB 3.92Å; Y72-P91 HydrophobicContact CG-CG 3.65Å; F76-P91 HydrophobicContact CD1-CB 3.85Å; F76-P91 HydrophobicContact CD1-CG 3.94Å; F76-P91 HydrophobicContact CE1-CB 4.07Å; F76-P91 WeakPolarHBondContact CE1-O 3.07Å; M78-P91 HydrophobicContact CE-CG 4.2Å
92	S	86.3	Confident	82.6	Confident	53 Å²	53	66.7 Å²	66.7	37%	0.371	35%	0.354	S	S	.	.			trans	-133.7	178.2	172.5	159.9	0	0	0	0	108.2	Y43 N94 N95	Y43-S92 PolarHBondContact OH-O 3.48Å; S92-N94 PolarHBondContact O-N 2.94Å; S92-N95 CarbonylContact C-O 3.59Å; S92-N95 WeakPolarHBondContact CA-O 3.35Å; S92-N95 WeakPolarHBondContact CB-O 3.36Å; S92-N95 WeakPolarHBondContact CB-OD1 3.45Å; S92-N95 PolarHBondContact N-O 3.47Å; S92-N95 PolarHBondContact OG-OD1 3.37Å
93	R	82.9	Confident	84.5	Confident	218 Å²	218	58.3 Å²	58.3	82%	0.823	32%	0.315	S	S	*	.	S	Bend	trans	-55.5	-46.8	-169.5	-73.5	-169.4	-174.1	-155	2.4	113.8	Y43	Y43-R93 PolarHBondContact OH-O 3.45Å
94	N	86.9	Confident	86.1	Confident	111 Å²	111	59.5 Å²	59.5	59%	0.594	32%	0.321	S	S	*	.	S	Bend	trans	-128.4	12.6	-173.7	-61.5	5.7	0	0	0	112.3	K42 Y43 S92	K42-N94 WeakPolarHBondContact CA-O 3.49Å; Y43-N94 VanDerWaalsContact CE1-C 3.42Å; Y43-N94 PolarHBondContact N-O 3.3Å; S92-N94 PolarHBondContact O-N 2.94Å
95	N	91.9	Very high	87.4	Confident	39 Å²	39	53.9 Å²	53.9	21%	0.209	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	158.2	-176.8	62.3	-31.4	0	0	0	111.1	V40 C41 K42 Y43 S92	V40-N95 HydrophobicContact CG1-CB 4.09Å; C41-N95 CarbonylContact O-C 3.6Å; C41-N95 WeakPolarHBondContact O-CA 3.35Å; C41-N95 WeakPolarHBondContact O-CB 3.17Å; K42-N95 HydrophobicContact CB-CB 4.33Å; K42-N95 HydrophobicContact CG-CB 3.96Å; Y43-N95 VanDerWaalsContact CE1-N 3.34Å; S92-N95 CarbonylContact C-O 3.59Å; S92-N95 WeakPolarHBondContact CA-O 3.35Å; S92-N95 WeakPolarHBondContact CB-O 3.36Å; S92-N95 WeakPolarHBondContact CB-OD1 3.45Å; S92-N95 PolarHBondContact N-O 3.47Å; S92-N95 PolarHBondContact OG-OD1 3.37Å
96	V	91.6	Very high	88.4	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.1	174.8	-177	0	0	0	0	107.8	V40 C41 Y43 V54 Y72 V89 L98 M115	V40-V96 WeakPolarHBondContact CA-O 3.5Å; C41-V96 PolarHBondContact N-O 3.3Å; C41-V96 PolarHBondContact O-N 3.13Å; Y43-V96 HydrophobicContact CE1-CG2 3.94Å; V54-V96 HydrophobicContact CG1-CG1 4.34Å; V54-V96 HydrophobicContact CG2-CG1 4.43Å; V54-V96 HydrophobicContact CG2-CG2 4.09Å; Y72-V96 HydrophobicContact CE1-CG2 3.92Å; Y72-V96 WeakPolarHBondContact OH-CG2 3.36Å; V89-V96 HydrophobicContact CG1-CG1 3.37Å; V96-L98 HydrophobicContact CG1-CD1 4.27Å; V96-L98 HydrophobicContact CG1-CG 4.48Å; V96-M115 HydrophobicContact CG2-CE 3.94Å
97	T	93.6	Very high	88.8	Confident	36 Å²	36	53.9 Å²	53.9	22%	0.221	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	117.9	176	-55.9	0	0	0	0	108.4	L39 V40 S90	L39-T97 CarbonylContact O-C 3.56Å; L39-T97 WeakPolarHBondContact O-CA 3.31Å; V40-T97 HydrophobicContact CG2-CG2 4.26Å; S90-T97 PolarHBondContact N-O 3.15Å; S90-T97 PolarHBondContact O-N 2.7Å
98	L	91.9	Very high	89.1	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.7	173.9	-58.1	96	0	0	0	108.2	S38 L39 C41 V54 L56 V89 V96	S38-L98 CarbonylContact C-O 3.51Å; S38-L98 WeakPolarHBondContact CA-O 3.32Å; L39-L98 PolarHBondContact N-O 3.34Å; L39-L98 PolarHBondContact O-N 3.28Å; C41-L98 WeakPolarHBondContact SG-CD1 3.39Å; V54-L98 HydrophobicContact CG1-CD2 4.24Å; L56-L98 HydrophobicContact CB-CD2 3.87Å; L56-L98 HydrophobicContact CD1-CD2 4.3Å; L56-L98 HydrophobicContact CD2-CD2 4.35Å; L56-L98 HydrophobicContact CG-CD2 4.4Å; V89-L98 HydrophobicContact CG2-CD2 4.19Å; V89-L98 HydrophobicContact CG2-CG 4.39Å; V96-L98 HydrophobicContact CG1-CD1 4.27Å; V96-L98 HydrophobicContact CG1-CG 4.48Å
99	T	92.1	Very high	89.4	Confident	33 Å²	33	50.7 Å²	50.7	20%	0.202	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	114.7	176.1	-58.1	0	0	0	0	108.6	V36 A37 S38 C87 H88 T101	V36-T99 HydrophobicContact CG1-CG2 3.93Å; A37-T99 CarbonylContact O-C 3.46Å; A37-T99 WeakPolarHBondContact O-CA 3.43Å; S38-T99 PolarHBondContact OG-OG1 3.34Å; C87-T99 WeakPolarHBondContact CA-O 3.44Å; H88-T99 PolarHBondContact N-O 3.4Å; H88-T99 PolarHBondContact O-N 3.01Å; T99-T101 HydrophobicContact CG2-CG2 4.31Å
100	L	91.4	Very high	89.8	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	132.3	175	-58.6	174.8	0	0	0	108.7	V36 A37 L39 L56 I85 C87 L103 Y111 L133	V36-L100 CarbonylContact C-O 3.53Å; V36-L100 VanDerWaalsContact CA-O 3.3Å; V36-L100 WeakPolarHBondContact CA-O 3.24Å; A37-L100 PolarHBondContact N-O 3.37Å; A37-L100 PolarHBondContact O-N 2.83Å; L39-L100 HydrophobicContact CD1-CD1 3.55Å; L39-L100 HydrophobicContact CD1-CG 3.93Å; L56-L100 HydrophobicContact CD2-CD1 3.92Å; L56-L100 HydrophobicContact CD2-CD2 3.78Å; L56-L100 HydrophobicContact CD2-CG 4.24Å; I85-L100 HydrophobicContact CG2-CB 4.3Å; I85-L100 HydrophobicContact CG2-CD2 4.23Å; C87-L100 HydrophobicContact CB-CD2 3.83Å; L100-L103 HydrophobicContact CB-CD1 3.88Å; L100-L103 HydrophobicContact CB-CD2 4.18Å; L100-L103 HydrophobicContact CB-CG 4.08Å; L100-L103 HydrophobicContact CD1-CD1 4.48Å; L100-L103 HydrophobicContact CD1-CD2 4.2Å; L100-Y111 HydrophobicContact CD1-CE1 4.27Å; L100-L133 HydrophobicContact CD1-CD2 4.13Å
101	T	89.8	Confident	90.1	Very high	40 Å²	40	50.5 Å²	50.5	25%	0.245	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	146.3	176.8	55.8	0	0	0	0	110.8	V36 Q86 T99	V36-T101 HydrophobicContact CG1-CG2 4.01Å; V36-T101 HydrophobicContact CG2-CG2 3.95Å; Q86-T101 WeakPolarHBondContact CB-OG1 3.32Å; Q86-T101 PolarHBondContact O-N 3.03Å; Q86-T101 PolarHBondContact O-OG1 3.3Å; Q86-T101 PolarHBondContact OE1-OG1 3.02Å; T99-T101 HydrophobicContact CG2-CG2 4.31Å
102	G	87.1	Confident	90.5	Very high	53 Å²	53	50.9 Å²	50.9	55%	0.546	28%	0.281	S	S	.	.	S	Bend	trans	81.7	24.2	-178.2	0	0	0	0	0	114.1	G35	G35-G102 PolarHBondContact O-N 3.15Å
103	L	89.3	Confident	90.9	Very high	11 Å²	11	48.3 Å²	48.3	6%	0.058	26%	0.263	C	S	.	.			trans	-67.9	137.9	175.7	-67.3	165.1	0	0	0	111.4	A31 G35 A37 I85 L100 D107 L133 V135	A31-L103 HydrophobicContact CB-CD1 4.16Å; G35-L103 WeakPolarHBondContact CA-O 3.31Å; G35-L103 WeakPolarHBondContact O-CB 3.5Å; G35-L103 PolarHBondContact O-N 3.05Å; A37-L103 HydrophobicContact CB-CD1 3.52Å; I85-L103 HydrophobicContact CD1-CD2 4.3Å; I85-L103 HydrophobicContact CG2-CD2 4.33Å; L100-L103 HydrophobicContact CB-CD1 3.88Å; L100-L103 HydrophobicContact CB-CD2 4.18Å; L100-L103 HydrophobicContact CB-CG 4.08Å; L100-L103 HydrophobicContact CD1-CD1 4.48Å; L100-L103 HydrophobicContact CD1-CD2 4.2Å; L103-D107 HydrophobicContact CD2-CB 3.87Å; L103-L133 HydrophobicContact CD1-CD2 3.87Å; L103-L133 HydrophobicContact CD2-CD2 4.03Å; L103-V135 HydrophobicContact CB-CG1 4.05Å; L103-V135 HydrophobicContact CB-CG2 3.95Å; L103-V135 HydrophobicContact CD1-CG2 4.3Å
104	Q	88.8	Confident	91.4	Very high	134 Å²	134	39.8 Å²	39.8	63%	0.626	23%	0.232	S	C	*	.			trans	-110.9	165.4	173.1	-63.4	177.1	53.3	0	0	110.8	N106 D107 V135	Q104-N106 PolarHBondContact O-N 2.89Å; Q104-N106 VanDerWaalsContact O-N 3.12Å; Q104-D107 PolarHBondContact N-OD2 2.98Å; Q104-D107 VanDerWaalsContact O-CB 3.32Å; Q104-D107 WeakPolarHBondContact O-CB 3.23Å; Q104-D107 PolarHBondContact O-N 3.38Å; Q104-V135 WeakPolarHBondContact O-CB 3.4Å; Q104-V135 WeakPolarHBondContact O-CG1 3.03Å
105	A	87.5	Confident	91.7	Very high	33 Å²	33	34.5 Å²	34.5	27%	0.273	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-54.7	-32.8	177.9	0	0	0	0	0	114.1	D107 T108 D137	A105-D107 PolarHBondContact O-N 3.4Å; A105-T108 VanDerWaalsContact O-CB 3.23Å; A105-T108 WeakPolarHBondContact O-CB 3.27Å; A105-T108 PolarHBondContact O-N 3.4Å; A105-T108 VanDerWaalsContact O-N 3.12Å; A105-T108 PolarHBondContact O-OG1 3.37Å; A105-D137 HydrophobicContact CB-CB 4.46Å; A105-D137 WeakPolarHBondContact CB-OD1 3.33Å; A105-D137 WeakPolarHBondContact CB-OD2 3.28Å; A105-D137 PolarHBondContact N-OD1 2.87Å
106	N	88.6	Confident	91.7	Very high	144 Å²	144	32.9 Å²	32.9	77%	0.77	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-68.6	-12.9	176.6	-163.3	29.7	0	0	0	113.7	K58 Q104 T108	K58-N106 PolarHBondContact NZ-O 3.48Å; Q104-N106 PolarHBondContact O-N 2.89Å; Q104-N106 VanDerWaalsContact O-N 3.12Å; N106-T108 VanDerWaalsContact C-N 3.27Å
107	D	88.9	Confident	91.7	Very high	26 Å²	26	34 Å²	34	14%	0.139	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-83.8	-4.7	174.2	-60.7	-46.3	0	0	0	112.8	K58 L103 Q104 A105 G109 Y111	K58-D107 IonicContact NZ-OD1 3.52Å; L103-D107 HydrophobicContact CD2-CB 3.87Å; Q104-D107 PolarHBondContact N-OD2 2.98Å; Q104-D107 VanDerWaalsContact O-CB 3.32Å; Q104-D107 WeakPolarHBondContact O-CB 3.23Å; Q104-D107 PolarHBondContact O-N 3.38Å; A105-D107 PolarHBondContact O-N 3.4Å; D107-G109 PolarHBondContact O-N 3.16Å; D107-Y111 VanDerWaalsContact O-CE2 3.32Å; D107-Y111 WeakPolarHBondContact O-CE2 3.32Å; D107-Y111 PolarHBondContact O-OH 3.41Å
108	T	92.4	Very high	91.6	Very high	50 Å²	50	35 Å²	35	31%	0.307	20%	0.202	S	C	.	.			trans	-57.2	131.9	172.5	-62.6	0	0	0	0	110.9	A105 N106 L133 Y134 V135	A105-T108 VanDerWaalsContact O-CB 3.23Å; A105-T108 WeakPolarHBondContact O-CB 3.27Å; A105-T108 PolarHBondContact O-N 3.4Å; A105-T108 VanDerWaalsContact O-N 3.12Å; A105-T108 PolarHBondContact O-OG1 3.37Å; N106-T108 VanDerWaalsContact C-N 3.27Å; T108-L133 WeakPolarHBondContact CA-O 3.44Å; T108-L133 WeakPolarHBondContact CG2-O 3.06Å; T108-Y134 HydrophobicContact CG2-CD1 3.98Å; T108-V135 PolarHBondContact OG1-N 2.89Å; T108-V135 VanDerWaalsContact OG1-N 3.12Å
109	G	93.4	Very high	91.4	Very high	13 Å²	13	40.5 Å²	40.5	13%	0.134	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.9	-168.5	-179.5	0	0	0	0	0	114	D107 Y111 L133	D107-G109 PolarHBondContact O-N 3.16Å; G109-Y111 WeakPolarHBondContact O-CD2 3.47Å; G109-L133 PolarHBondContact N-O 2.86Å; G109-L133 VanDerWaalsContact N-O 3.09Å; G109-L133 PolarHBondContact O-N 2.92Å
110	L	95.3	Very high	91.3	Very high	54 Å²	54	40.6 Å²	40.6	28%	0.283	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	122.5	-179.4	-171.8	70.9	0	0	0	110.9	Q59	Q59-L110 HydrophobicContact CB-CB 4.36Å; Q59-L110 PolarHBondContact N-O 3.32Å
111	Y	94.9	Very high	91.2	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.9	179.8	-73.2	-100.9	0	0	0	111	Q25 L56 L57 K58 I67 L100 D107 G109 G130 T131 L133	Q25-Y111 PolarHBondContact NE2-O 3.45Å; L56-Y111 HydrophobicContact CD1-CD1 4.42Å; L56-Y111 HydrophobicContact CD2-CD1 3.91Å; L56-Y111 HydrophobicContact CD2-CE1 4.46Å; L56-Y111 HydrophobicContact CG-CD1 4.05Å; L57-Y111 CarbonylContact O-C 3.57Å; L57-Y111 VanDerWaalsContact O-CA 3.27Å; L57-Y111 WeakPolarHBondContact O-CA 3.43Å; K58-Y111 HydrophobicContact CB-CD1 4.22Å; K58-Y111 HydrophobicContact CB-CE1 3.98Å; K58-Y111 HydrophobicContact CD-CE1 4.41Å; K58-Y111 HydrophobicContact CG-CE1 4.26Å; K58-Y111 HydrophobicContact CG-CE2 4.43Å; I67-Y111 HydrophobicContact CG1-CE1 4.1Å; L100-Y111 HydrophobicContact CD1-CE1 4.27Å; D107-Y111 VanDerWaalsContact O-CE2 3.32Å; D107-Y111 WeakPolarHBondContact O-CE2 3.32Å; D107-Y111 PolarHBondContact O-OH 3.41Å; G109-Y111 WeakPolarHBondContact O-CD2 3.47Å; Y111-G130 CarbonylContact O-C 3.57Å; Y111-G130 VanDerWaalsContact O-CA 3.32Å; Y111-G130 WeakPolarHBondContact O-CA 3.4Å; Y111-T131 PolarHBondContact N-O 2.94Å; Y111-T131 PolarHBondContact O-N 2.83Å; Y111-L133 HydrophobicContact CD2-CB 3.56Å; Y111-L133 HydrophobicContact CD2-CD2 3.98Å; Y111-L133 HydrophobicContact CD2-CG 4.43Å; Y111-L133 HydrophobicContact CE2-CB 3.72Å; Y111-L133 HydrophobicContact CE2-CD2 3.54Å; Y111-L133 HydrophobicContact CE2-CG 4.24Å
112	I	95.8	Very high	91.1	Very high	19 Å²	19	46.9 Å²	46.9	10%	0.097	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129.6	-176.5	-56.4	-177.8	0	0	0	109.5	L57 F64 T127	L57-I112 HydrophobicContact CB-CB 4.39Å; L57-I112 PolarHBondContact N-O 2.84Å; L57-I112 PolarHBondContact O-N 2.87Å; F64-I112 HydrophobicContact CD1-CD1 4.26Å; F64-I112 HydrophobicContact CE1-CD1 3.54Å; F64-I112 HydrophobicContact CZ-CD1 4.41Å; I112-T127 HydrophobicContact CG2-CG2 4.31Å
113	C	94.8	Very high	91.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	116.2	176.6	-161.1	0	0	0	0	109.2	Q25 C41 T127 G128	Q25-C113 HydrophobicContact CG-CB 3.93Å; Q25-C113 VanDerWaalsContact NE2-N 3.15Å; C41-C113 HydrophobicContact CB-CB 3.88Å; C41-C113 WeakPolarHBondContact CB-SG 3.33Å; C41-C113 WeakPolarHBondContact SG-CB 3.3Å; C41-C113 CovalentContact SG-SG 2.03Å; C41-C113 PolarHBondContact SG-SG 3.25Å; C113-T127 WeakPolarHBondContact O-CA 3.4Å; C113-G128 PolarHBondContact O-N 2.9Å
114	K	93.9	Very high	91.3	Very high	39 Å²	39	53.8 Å²	53.8	17%	0.17	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	126.2	174.4	-173.1	-166.2	-168.6	-163.2	0	108.4	V54 T55 L57 E116 M125 T127	V54-K114 WeakPolarHBondContact CA-O 3.45Å; T55-K114 PolarHBondContact N-O 3.05Å; T55-K114 WeakPolarHBondContact O-CB 3.47Å; T55-K114 PolarHBondContact O-N 3.47Å; L57-K114 HydrophobicContact CD1-CB 4.14Å; L57-K114 HydrophobicContact CD1-CD 4.41Å; K114-E116 HydrophobicContact CD-CG 4.32Å; K114-E116 WeakPolarHBondContact CE-OE1 3.21Å; K114-E116 HydrophobicContact CG-CG 4.3Å; K114-E116 IonicContact NZ-OE1 3.9Å; K114-E116 PolarHBondContact NZ-OE1 2.84Å; K114-E116 IonicContact NZ-OE2 3.91Å; K114-M125 HydrophobicContact CD-SD 4.46Å; K114-M125 WeakPolarHBondContact CE-SD 3.49Å; K114-M125 HydrophobicContact CG-CG 4.3Å; K114-T127 HydrophobicContact CB-CG2 4.13Å; K114-T127 HydrophobicContact CG-CG2 3.99Å
115	M	92.6	Very high	91.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.5	173.8	-64.1	-160.2	75.8	0	0	110.3	M21 V23 Y43 I46 I52 V54 V96 M125 N126	M21-M115 HydrophobicContact CE-CB 4.31Å; M21-M115 WeakPolarHBondContact CE-O 3.41Å; V23-M115 HydrophobicContact CG1-CG 4.28Å; V23-M115 HydrophobicContact CG1-SD 4.39Å; V23-M115 HydrophobicContact CG2-CB 3.84Å; V23-M115 HydrophobicContact CG2-CG 3.9Å; V23-M115 HydrophobicContact CG2-SD 4.13Å; Y43-M115 VanDerWaalsContact CB-SD 3.59Å; Y43-M115 HydrophobicContact CD1-CE 3.31Å; Y43-M115 HydrophobicContact CD1-SD 3.39Å; Y43-M115 WeakPolarHBondContact CD1-SD 3.32Å; Y43-M115 HydrophobicContact CE1-CE 3.63Å; Y43-M115 HydrophobicContact CE1-SD 4.3Å; Y43-M115 HydrophobicContact CG-CE 3.89Å; Y43-M115 HydrophobicContact CG-SD 3.74Å; I46-M115 HydrophobicContact CD1-CE 4.38Å; I52-M115 HydrophobicContact CG2-CE 3.82Å; V54-M115 HydrophobicContact CG2-CE 3.59Å; V54-M115 HydrophobicContact CG2-CG 4.25Å; V96-M115 HydrophobicContact CG2-CE 3.94Å; M115-M125 WeakPolarHBondContact O-CA 2.99Å; M115-N126 PolarHBondContact N-O 2.72Å; M115-N126 PolarHBondContact O-N 3.02Å
116	E	92.2	Very high	91.7	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.019	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	123.9	-175	-65.1	173	118.3	0	0	109.3	I52 R53 K114 M118 Y123 F124 M125	I52-E116 CarbonylContact C-O 3.58Å; I52-E116 VanDerWaalsContact CA-O 3.31Å; I52-E116 WeakPolarHBondContact CA-O 3.37Å; R53-E116 HydrophobicContact CB-CB 4.19Å; R53-E116 IonicContact CZ-OE2 3.38Å; R53-E116 PolarHBondContact N-O 3.43Å; R53-E116 IonicContact NE-OE2 3.52Å; R53-E116 PolarHBondContact NE-OE2 3.36Å; R53-E116 IonicContact NH2-OE1 2.73Å; R53-E116 IonicContact NH2-OE2 3.45Å; R53-E116 PolarHBondContact NH2-OE2 2.81Å; R53-E116 PolarHBondContact O-N 3.31Å; K114-E116 HydrophobicContact CD-CG 4.32Å; K114-E116 WeakPolarHBondContact CE-OE1 3.21Å; K114-E116 HydrophobicContact CG-CG 4.3Å; K114-E116 IonicContact NZ-OE1 3.9Å; K114-E116 PolarHBondContact NZ-OE1 2.84Å; K114-E116 IonicContact NZ-OE2 3.91Å; E116-M118 HydrophobicContact CB-CE 4.26Å; E116-Y123 HydrophobicContact CB-CE2 3.92Å; E116-Y123 HydrophobicContact CG-CE2 4.17Å; E116-Y123 WeakPolarHBondContact CG-OH 3.43Å; E116-Y123 PolarHBondContact OE1-OH 3.12Å; E116-F124 CarbonylContact C-O 3.52Å; E116-F124 WeakPolarHBondContact CA-O 3.46Å; E116-M125 HydrophobicContact CG-CB 4.29Å; E116-M125 HydrophobicContact CG-CG 3.95Å
117	R	91.3	Very high	92	Very high	24 Å²	24	49.2 Å²	49.2	9%	0.091	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	106.2	166.1	-174.3	-175.4	82.9	178.9	11.6	108.4	I46 A49 P120 P122 Y123 F124	I46-R117 WeakPolarHBondContact O-CD 3.26Å; A49-R117 HydrophobicContact CB-CG 3.74Å; R117-P120 PolarHBondContact NE-O 3.48Å; R117-P120 PolarHBondContact NH2-O 3.43Å; R117-P122 VanDerWaalsContact CZ-O 3.3Å; R117-P122 PolarHBondContact NE-O 3.16Å; R117-P122 VanDerWaalsContact NE-O 3.13Å; R117-P122 PolarHBondContact NH2-O 2.86Å; R117-Y123 WeakPolarHBondContact O-CA 3.48Å; R117-Y123 WeakPolarHBondContact O-CD2 3.09Å; R117-F124 HydrophobicContact CB-CB 4.34Å; R117-F124 PolarHBondContact N-O 3.32Å; R117-F124 VanDerWaalsContact NH2-CD2 3.29Å; R117-F124 PolarHBondContact O-N 3.24Å
118	M	90.7	Very high	92.2	Very high	58 Å²	58	48.2 Å²	48.2	29%	0.286	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-45.7	178.8	-66	-63.3	-169.2	0	0	111.3	E51 R53 E116 Y123	E51-M118 HydrophobicContact CB-CB 4.28Å; E51-M118 HydrophobicContact CG-CB 4.11Å; E51-M118 PolarHBondContact O-N 3.11Å; R53-M118 HydrophobicContact CB-CE 3.8Å; R53-M118 HydrophobicContact CB-CG 4.13Å; R53-M118 HydrophobicContact CG-CE 4.32Å; R53-M118 VanDerWaalsContact NE-CE 3.33Å; E116-M118 HydrophobicContact CB-CE 4.26Å; M118-Y123 HydrophobicContact CE-CE2 4.27Å; M118-Y123 HydrophobicContact SD-CD2 3.9Å; M118-Y123 HydrophobicContact SD-CE2 3.7Å
119	Y	89.6	Confident	92.3	Very high	116 Å²	116	53.2 Å²	53.2	46%	0.455	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	143.1	-175.9	-169.7	-98.1	0	0	0	111.2	K50 E51 P121	K50-Y119 HydrophobicContact CB-CD1 3.91Å; K50-Y119 HydrophobicContact CD-CD1 3.91Å; K50-Y119 HydrophobicContact CD-CE1 3.72Å; K50-Y119 PolarHBondContact N-O 3.49Å; E51-Y119 PolarHBondContact N-O 2.94Å; E51-Y119 PolarHBondContact O-N 3.49Å; Y119-P121 HydrophobicContact CD2-CG 4.44Å
120	P	89.8	Confident	92.3	Very high	34 Å²	34	52.9 Å²	52.9	22%	0.221	27%	0.272	C	S	.	.	S	Bend	cis	-74.5	153.4	-4.3	31.6	-32.6	0	0	0	112.7	N48 R117	N48-P120 WeakPolarHBondContact O-CD 3.34Å; N48-P120 WeakPolarHBondContact O-CG 3.44Å; R117-P120 PolarHBondContact NE-O 3.48Å; R117-P120 PolarHBondContact NH2-O 3.43Å
121	P	87.9	Confident	92.4	Very high	94 Å²	94	50.3 Å²	50.3	61%	0.61	26%	0.258	S	S	*	.	S	Bend	trans	-56.8	155.3	174.3	-24	34.1	0	0	0	111.9	Y119	Y119-P121 HydrophobicContact CD2-CG 4.44Å
122	P	88.3	Confident	92.4	Very high	79 Å²	79	53.2 Å²	53.2	51%	0.513	27%	0.272	S	S	.	.	S	Bend	cis	-71.1	158.3	3.1	25.9	-35.4	0	0	0	114.5	R117 F124	R117-P122 VanDerWaalsContact CZ-O 3.3Å; R117-P122 PolarHBondContact NE-O 3.16Å; R117-P122 VanDerWaalsContact NE-O 3.13Å; R117-P122 PolarHBondContact NH2-O 2.86Å; P122-F124 HydrophobicContact CB-CZ 4.46Å; P122-F124 HydrophobicContact CG-CE1 4.43Å; P122-F124 HydrophobicContact CG-CE2 3.74Å; P122-F124 HydrophobicContact CG-CZ 3.64Å
123	Y	89.8	Confident	92.4	Very high	110 Å²	110	52.3 Å²	52.3	43%	0.431	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-72.8	130.9	172.7	169.2	-95.9	0	0	0	109.7	E116 R117 M118 M125	E116-Y123 HydrophobicContact CB-CE2 3.92Å; E116-Y123 HydrophobicContact CG-CE2 4.17Å; E116-Y123 WeakPolarHBondContact CG-OH 3.43Å; E116-Y123 PolarHBondContact OE1-OH 3.12Å; R117-Y123 WeakPolarHBondContact O-CA 3.48Å; R117-Y123 WeakPolarHBondContact O-CD2 3.09Å; M118-Y123 HydrophobicContact CE-CE2 4.27Å; M118-Y123 HydrophobicContact SD-CD2 3.9Å; M118-Y123 HydrophobicContact SD-CE2 3.7Å; Y123-M125 HydrophobicContact CE1-CB 3.77Å
124	F	89.8	Confident	92.3	Very high	99 Å²	99	57.5 Å²	57.5	43%	0.434	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140.9	172.8	-68.8	-62.3	0	0	0	109.9	M21 E116 R117 P122	M21-F124 HydrophobicContact CE-CB 4.48Å; E116-F124 CarbonylContact C-O 3.52Å; E116-F124 WeakPolarHBondContact CA-O 3.46Å; R117-F124 HydrophobicContact CB-CB 4.34Å; R117-F124 PolarHBondContact N-O 3.32Å; R117-F124 VanDerWaalsContact NH2-CD2 3.29Å; R117-F124 PolarHBondContact O-N 3.24Å; P122-F124 HydrophobicContact CB-CZ 4.46Å; P122-F124 HydrophobicContact CG-CE1 4.43Å; P122-F124 HydrophobicContact CG-CE2 3.74Å; P122-F124 HydrophobicContact CG-CZ 3.64Å
125	M	92	Very high	92.2	Very high	100 Å²	100	56.2 Å²	56.2	49%	0.493	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	136.2	178.6	178	-169.7	84.8	0	0	108.6	K114 M115 E116 Y123	K114-M125 HydrophobicContact CD-SD 4.46Å; K114-M125 WeakPolarHBondContact CE-SD 3.49Å; K114-M125 HydrophobicContact CG-CG 4.3Å; M115-M125 WeakPolarHBondContact O-CA 2.99Å; E116-M125 HydrophobicContact CG-CB 4.29Å; E116-M125 HydrophobicContact CG-CG 3.95Å; Y123-M125 HydrophobicContact CE1-CB 3.77Å
126	N	94	Very high	91.9	Very high	52 Å²	52	61.2 Å²	61.2	28%	0.278	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	157	166.5	-158.3	7.4	0	0	0	110.7	M21 V23 M115	M21-N126 HydrophobicContact CE-CB 3.72Å; M21-N126 WeakPolarHBondContact O-CB 3.36Å; M21-N126 PolarHBondContact O-ND2 3.08Å; V23-N126 HydrophobicContact CG2-CB 4.22Å; M115-N126 PolarHBondContact N-O 2.72Å; M115-N126 PolarHBondContact O-N 3.02Å
127	T	94.6	Very high	91.2	Very high	62 Å²	62	65.9 Å²	65.9	38%	0.38	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	145.3	179.3	50	0	0	0	0	109.4	I112 C113 K114	I112-T127 HydrophobicContact CG2-CG2 4.31Å; C113-T127 WeakPolarHBondContact O-CA 3.4Å; K114-T127 HydrophobicContact CB-CG2 4.13Å; K114-T127 HydrophobicContact CG-CG2 3.99Å
128	G	93.6	Very high	90.2	Very high	5 Å²	5	68.4 Å²	68.4	5%	0.052	35%	0.353	C	S	.	.			trans	-76.4	173.2	168.3	0	0	0	0	0	112.3	V23 Q25 C113 G130	V23-G128 WeakPolarHBondContact O-CA 3.14Å; Q25-G128 VanDerWaalsContact OE1-C 3.29Å; C113-G128 PolarHBondContact O-N 2.9Å; G128-G130 PolarHBondContact O-N 2.94Å; G128-G130 VanDerWaalsContact O-N 3.14Å
129	N	93.3	Very high	89.2	Confident	156 Å²	156	73.7 Å²	73.7	83%	0.834	38%	0.377	S	S	*	.	S	Bend	trans	-68.9	-7	179.8	-68	-10.1	0	0	0	114.1
130	G	94.3	Very high	88.1	Confident	6 Å²	6	74.2 Å²	74.2	6%	0.062	40%	0.395	C	S	.	.			trans	90.2	154.7	-173.9	0	0	0	0	0	113.9	Y111 G128	Y111-G130 CarbonylContact O-C 3.57Å; Y111-G130 VanDerWaalsContact O-CA 3.32Å; Y111-G130 WeakPolarHBondContact O-CA 3.4Å; G128-G130 PolarHBondContact O-N 2.94Å; G128-G130 VanDerWaalsContact O-N 3.14Å
131	T	96.5	Very high	86.8	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	123.1	177.9	-60.8	0	0	0	0	108.4	Q25 P26 V29 L39 Y111 L133	Q25-T131 PolarHBondContact NE2-OG1 3.09Å; P26-T131 HydrophobicContact CG-CG2 4.01Å; P26-T131 VanDerWaalsContact O-CA 3.31Å; P26-T131 WeakPolarHBondContact O-CA 2.85Å; P26-T131 VanDerWaalsContact O-CB 3.23Å; P26-T131 WeakPolarHBondContact O-CB 3.37Å; P26-T131 WeakPolarHBondContact O-CG2 3.29Å; P26-T131 PolarHBondContact O-OG1 3.29Å; V29-T131 HydrophobicContact CB-CG2 3.97Å; V29-T131 HydrophobicContact CG2-CG2 3.6Å; L39-T131 HydrophobicContact CD2-CG2 3.92Å; Y111-T131 PolarHBondContact N-O 2.94Å; Y111-T131 PolarHBondContact O-N 2.83Å; T131-L133 PolarHBondContact O-N 3.12Å
132	H	95.8	Very high	85.6	Confident	61 Å²	61	76.4 Å²	76.4	28%	0.282	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	109.4	172.5	-158.5	-74.4	0	0	0	109.5	A27 M28 V29 Y134	A27-H132 PolarHBondContact O-N 3.41Å; M28-H132 VanDerWaalsContact CA-O 3.28Å; M28-H132 WeakPolarHBondContact CA-O 3.49Å; V29-H132 PolarHBondContact N-O 2.89Å; H132-Y134 HydrophobicContact CB-CE2 4.21Å; H132-Y134 AromaticContact CE1-CD1 3.9Å; H132-Y134 AromaticContact CE1-CE1 3.28Å; H132-Y134 WeakPolarHBondContact CE1-CE1 3.49Å; H132-Y134 AromaticContact CE1-CE2 3.83Å; H132-Y134 AromaticContact CE1-CZ 3.26Å; H132-Y134 PolarHBondContact CE1-OH 3.38Å; H132-Y134 AromaticContact CG-CE2 3.84Å; H132-Y134 AromaticContact CG-CZ 3.9Å; H132-Y134 AromaticContact ND1-CD1 3.85Å; H132-Y134 AromaticContact ND1-CD2 3.54Å; H132-Y134 AromaticContact ND1-CE1 3.41Å; H132-Y134 WeakPolarHBondContact ND1-CE1 3.32Å; H132-Y134 AromaticContact ND1-CE2 3.07Å; H132-Y134 WeakPolarHBondContact ND1-CE2 3.43Å; H132-Y134 AromaticContact ND1-CG 3.92Å; H132-Y134 AromaticContact ND1-CZ 3Å; H132-Y134 PolarHBondContact ND1-OH 3.03Å
133	L	95.1	Very high	84.7	Confident	0 Å²	0	78.7 Å²	78.7	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	121.1	178.7	-179.5	66	0	0	0	109	V29 A37 L100 L103 T108 G109 Y111 T131 V135	V29-L133 HydrophobicContact CB-CD1 4.23Å; V29-L133 HydrophobicContact CG1-CD1 4.06Å; V29-L133 WeakPolarHBondContact O-CA 3.35Å; A37-L133 HydrophobicContact CB-CD1 3.47Å; A37-L133 VanDerWaalsContact CB-CD1 3.47Å; L100-L133 HydrophobicContact CD1-CD2 4.13Å; L103-L133 HydrophobicContact CD1-CD2 3.87Å; L103-L133 HydrophobicContact CD2-CD2 4.03Å; T108-L133 WeakPolarHBondContact CA-O 3.44Å; T108-L133 WeakPolarHBondContact CG2-O 3.06Å; G109-L133 PolarHBondContact N-O 2.86Å; G109-L133 VanDerWaalsContact N-O 3.09Å; G109-L133 PolarHBondContact O-N 2.92Å; Y111-L133 HydrophobicContact CD2-CB 3.56Å; Y111-L133 HydrophobicContact CD2-CD2 3.98Å; Y111-L133 HydrophobicContact CD2-CG 4.43Å; Y111-L133 HydrophobicContact CE2-CB 3.72Å; Y111-L133 HydrophobicContact CE2-CD2 3.54Å; Y111-L133 HydrophobicContact CE2-CG 4.24Å; T131-L133 PolarHBondContact O-N 3.12Å; L133-V135 HydrophobicContact CD2-CG2 4.29Å; L133-V135 HydrophobicContact CG-CG2 4.18Å
134	Y	93.8	Very high	83.7	Confident	108 Å²	108	78.7 Å²	78.7	42%	0.424	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124	173.1	-69.6	-79.4	0	0	0	110	V29 A31 T108 H132	V29-Y134 PolarHBondContact O-N 2.85Å; A31-Y134 PolarHBondContact N-O 2.98Å; T108-Y134 HydrophobicContact CG2-CD1 3.98Å; H132-Y134 HydrophobicContact CB-CE2 4.21Å; H132-Y134 AromaticContact CE1-CD1 3.9Å; H132-Y134 AromaticContact CE1-CE1 3.28Å; H132-Y134 WeakPolarHBondContact CE1-CE1 3.49Å; H132-Y134 AromaticContact CE1-CE2 3.83Å; H132-Y134 AromaticContact CE1-CZ 3.26Å; H132-Y134 PolarHBondContact CE1-OH 3.38Å; H132-Y134 AromaticContact CG-CE2 3.84Å; H132-Y134 AromaticContact CG-CZ 3.9Å; H132-Y134 AromaticContact ND1-CD1 3.85Å; H132-Y134 AromaticContact ND1-CD2 3.54Å; H132-Y134 AromaticContact ND1-CE1 3.41Å; H132-Y134 WeakPolarHBondContact ND1-CE1 3.32Å; H132-Y134 AromaticContact ND1-CE2 3.07Å; H132-Y134 WeakPolarHBondContact ND1-CE2 3.43Å; H132-Y134 AromaticContact ND1-CG 3.92Å; H132-Y134 AromaticContact ND1-CZ 3Å; H132-Y134 PolarHBondContact ND1-OH 3.03Å
135	V	92	Very high	83	Confident	13 Å²	13	76.3 Å²	76.3	8%	0.079	42%	0.424	C	S	.	.			trans	-111.5	117.8	175.1	-171.2	0	0	0	0	107.8	A31 L103 Q104 T108 L133	A31-V135 HydrophobicContact CB-CB 4.29Å; A31-V135 HydrophobicContact CB-CG1 4.11Å; A31-V135 HydrophobicContact CB-CG2 4.03Å; L103-V135 HydrophobicContact CB-CG1 4.05Å; L103-V135 HydrophobicContact CB-CG2 3.95Å; L103-V135 HydrophobicContact CD1-CG2 4.3Å; Q104-V135 WeakPolarHBondContact O-CB 3.4Å; Q104-V135 WeakPolarHBondContact O-CG1 3.03Å; T108-V135 PolarHBondContact OG1-N 2.89Å; T108-V135 VanDerWaalsContact OG1-N 3.12Å; L133-V135 HydrophobicContact CD2-CG2 4.29Å; L133-V135 HydrophobicContact CG-CG2 4.18Å
136	I	86.2	Confident	82.4	Confident	104 Å²	104	76 Å²	76	53%	0.533	42%	0.423	S	S	.	.			trans	-91.7	125.6	175.7	-59.4	171.2	0	0	0	107.1	L30 P138	L30-I136 HydrophobicContact CD1-CD1 3.76Å; L30-I136 HydrophobicContact CD1-CG1 3.98Å; L30-I136 HydrophobicContact CD2-CD1 4.16Å; L30-I136 HydrophobicContact CG-CD1 4.37Å; I136-P138 WeakPolarHBondContact O-CD 3.45Å
137	D	77.9	Confident	81.8	Confident	103 Å²	103	80.5 Å²	80.5	55%	0.551	44%	0.437	S	S	*	.			trans	-64.8	119.2	167.6	-80.2	-25.1	0	0	0	108.5	A105 E139	A105-D137 HydrophobicContact CB-CB 4.46Å; A105-D137 WeakPolarHBondContact CB-OD1 3.33Å; A105-D137 WeakPolarHBondContact CB-OD2 3.28Å; A105-D137 PolarHBondContact N-OD1 2.87Å; D137-E139 PolarHBondContact O-N 3.12Å
138	P	69.9	Low	81.3	Confident	76 Å²	76	83.3 Å²	83.3	49%	0.494	45%	0.45	S	S	.	.			trans	-64.1	114.3	175.9	28.1	-33.8	0	0	0	107.8	R33 I136	R33-P138 HydrophobicContact CB-CB 4.4Å; R33-P138 WeakPolarHBondContact O-CG 3.08Å; I136-P138 WeakPolarHBondContact O-CD 3.45Å
139	E	69.3	Low	81	Confident	169 Å²	169	92.9 Å²	92.9	79%	0.79	48%	0.484	S	S	*	.			trans	-54.2	135.4	162.5	-71.4	-179.4	153.1	0	0	107.7	D137 C141	D137-E139 PolarHBondContact O-N 3.12Å; E139-C141 VanDerWaalsContact C-N 3.29Å; E139-C141 PolarHBondContact O-N 2.88Å
140	P	65.8	Low	80.8	Confident	127 Å²	127	89.2 Å²	89.2	83%	0.825	47%	0.467	S	S	*	.			trans	-62	96.4	-179.4	25.1	-32.8	0	0	0	108.2	P142	P140-P142 WeakPolarHBondContact O-CD 3.05Å
141	C	62.3	Low	80.6	Confident	86 Å²	86	94 Å²	94	58%	0.581	49%	0.491	S	S	*	.			trans	-62.6	121.9	171.2	-66.5	0	0	0	0	105.6	E139 E143	E139-C141 VanDerWaalsContact C-N 3.29Å; E139-C141 PolarHBondContact O-N 2.88Å; C141-E143 PolarHBondContact O-N 3.32Å; C141-E143 VanDerWaalsContact O-N 3.08Å
142	P	63.8	Low	80.4	Confident	88 Å²	88	96 Å²	96	57%	0.571	51%	0.511	S	S	*	.			trans	-56.1	124	176.4	21.8	-30.5	0	0	0	107.4	P140 T144 Y147	P140-P142 WeakPolarHBondContact O-CD 3.05Å; P142-T144 PolarHBondContact O-N 3.15Å; P142-Y147 HydrophobicContact CB-CD2 4.11Å; P142-Y147 HydrophobicContact CB-CE2 3.96Å
143	E	69.1	Low	80.3	Confident	128 Å²	128	96 Å²	96	60%	0.598	52%	0.522	S	S	*	.			trans	-53.8	104.9	-178	-70.9	-173.6	-175.1	0	0	108.7	C141 A145 I146 Y147	C141-E143 PolarHBondContact O-N 3.32Å; C141-E143 VanDerWaalsContact O-N 3.08Å; E143-A145 PolarHBondContact O-N 2.87Å; E143-A145 VanDerWaalsContact O-N 3.11Å; E143-I146 HydrophobicContact CB-CB 4.18Å; E143-I146 HydrophobicContact CB-CD1 3.9Å; E143-I146 HydrophobicContact CB-CG1 3.82Å; E143-I146 HydrophobicContact CG-CD1 4.3Å; E143-I146 PolarHBondContact O-N 3.45Å; E143-I146 WeakPolarHBondContact OE2-CD1 3.42Å; E143-I146 WeakPolarHBondContact OE2-CG1 3.18Å; E143-Y147 PolarHBondContact O-N 3.49Å; E143-Y147 VanDerWaalsContact O-N 3.16Å
144	T	69.1	Low	80.2	Confident	110 Å²	110	99.3 Å²	99.3	68%	0.675	54%	0.543	S	S	*	.	H	α-helix	trans	-59.1	-28	-176.6	47.7	0	0	0	0	110.9	P142 Y147 L148	P142-T144 PolarHBondContact O-N 3.15Å; T144-Y147 PolarHBondContact O-N 2.86Å; T144-L148 WeakPolarHBondContact O-CB 3.47Å; T144-L148 VanDerWaalsContact O-CG 3.29Å; T144-L148 WeakPolarHBondContact O-CG 3.49Å; T144-L148 PolarHBondContact O-N 3.42Å
145	A	74.3	Confident	80.3	Confident	49 Å²	49	96.7 Å²	96.7	41%	0.405	54%	0.543	S	S	.	.	H	α-helix	trans	-58.5	-53.6	169.3	0	0	0	0	0	111.8	E143 Y147 L148 W149	E143-A145 PolarHBondContact O-N 2.87Å; E143-A145 VanDerWaalsContact O-N 3.11Å; A145-Y147 VanDerWaalsContact C-N 3.3Å; A145-Y147 PolarHBondContact O-N 2.99Å; A145-L148 PolarHBondContact O-N 3.43Å; A145-L148 VanDerWaalsContact O-N 3.16Å; A145-W149 PolarHBondContact O-N 2.65Å
146	I	79.4	Confident	80.4	Confident	92 Å²	92	99.2 Å²	99.2	47%	0.472	56%	0.562	S	S	.	*	H	α-helix	trans	-58.8	-44.5	179.1	-63.3	-179.3	0	0	0	110.3	E143 L148 W149 V150	E143-I146 HydrophobicContact CB-CB 4.18Å; E143-I146 HydrophobicContact CB-CD1 3.9Å; E143-I146 HydrophobicContact CB-CG1 3.82Å; E143-I146 HydrophobicContact CG-CD1 4.3Å; E143-I146 PolarHBondContact O-N 3.45Å; E143-I146 WeakPolarHBondContact OE2-CD1 3.42Å; E143-I146 WeakPolarHBondContact OE2-CG1 3.18Å; I146-L148 PolarHBondContact O-N 2.95Å; I146-W149 PolarHBondContact O-N 2.86Å; I146-V150 HydrophobicContact CG2-CG2 4.21Å; I146-V150 WeakPolarHBondContact O-CB 3.05Å; I146-V150 VanDerWaalsContact O-CG2 3.25Å; I146-V150 WeakPolarHBondContact O-CG2 3.35Å; I146-V150 PolarHBondContact O-N 2.81Å
147	Y	81.4	Confident	80.8	Confident	148 Å²	148	96.1 Å²	96.1	58%	0.58	56%	0.555	S	S	*	*	H	α-helix	trans	-61.8	-40.8	177.4	-103.5	-85.7	0	0	0	112.9	P142 E143 T144 A145 V150 L151	P142-Y147 HydrophobicContact CB-CD2 4.11Å; P142-Y147 HydrophobicContact CB-CE2 3.96Å; E143-Y147 PolarHBondContact O-N 3.49Å; E143-Y147 VanDerWaalsContact O-N 3.16Å; T144-Y147 PolarHBondContact O-N 2.86Å; A145-Y147 VanDerWaalsContact C-N 3.3Å; A145-Y147 PolarHBondContact O-N 2.99Å; Y147-V150 PolarHBondContact O-N 2.85Å; Y147-L151 WeakPolarHBondContact O-CB 3.4Å; Y147-L151 VanDerWaalsContact O-CG 3.26Å; Y147-L151 WeakPolarHBondContact O-CG 3.41Å; Y147-L151 PolarHBondContact O-N 2.77Å
148	L	83.8	Confident	81.7	Confident	121 Å²	121	98.1 Å²	98.1	63%	0.634	56%	0.559	S	S	*	*	H	α-helix	trans	-64.1	-41.7	175.3	-78.9	165.6	0	0	0	112	T144 A145 I146 L151 G152	T144-L148 WeakPolarHBondContact O-CB 3.47Å; T144-L148 VanDerWaalsContact O-CG 3.29Å; T144-L148 WeakPolarHBondContact O-CG 3.49Å; T144-L148 PolarHBondContact O-N 3.42Å; A145-L148 PolarHBondContact O-N 3.43Å; A145-L148 VanDerWaalsContact O-N 3.16Å; I146-L148 PolarHBondContact O-N 2.95Å; L148-L151 PolarHBondContact O-N 2.8Å; L148-G152 PolarHBondContact O-N 3.25Å
149	W	87.8	Confident	82.9	Confident	205 Å²	205	101.8 Å²	101.8	78%	0.777	57%	0.567	S	S	*	*	H	α-helix	trans	-64.3	-42.4	175	-72.6	112.6	0	0	0	111.9	A145 I146 G152 A153	A145-W149 PolarHBondContact O-N 2.65Å; I146-W149 PolarHBondContact O-N 2.86Å; W149-G152 PolarHBondContact O-N 3.14Å; W149-A153 VanDerWaalsContact O-CB 3.29Å; W149-A153 WeakPolarHBondContact O-CB 3.39Å; W149-A153 PolarHBondContact O-N 2.88Å
150	V	90.3	Very high	84.1	Confident	79 Å²	79	99 Å²	99	48%	0.479	56%	0.557	S	S	.	*	H	α-helix	trans	-64.1	-45	177	171.4	0	0	0	0	111	I146 Y147 A153 T154	I146-V150 HydrophobicContact CG2-CG2 4.21Å; I146-V150 WeakPolarHBondContact O-CB 3.05Å; I146-V150 VanDerWaalsContact O-CG2 3.25Å; I146-V150 WeakPolarHBondContact O-CG2 3.35Å; I146-V150 PolarHBondContact O-N 2.81Å; Y147-V150 PolarHBondContact O-N 2.85Å; V150-A153 PolarHBondContact O-N 2.96Å; V150-T154 VanDerWaalsContact O-CB 3.32Å; V150-T154 WeakPolarHBondContact O-CB 3.14Å; V150-T154 PolarHBondContact O-N 3.03Å; V150-T154 PolarHBondContact O-OG1 2.85Å
151	L	89.4	Confident	85.6	Confident	107 Å²	107	100.2 Å²	100.2	56%	0.56	55%	0.546	S	S	*	.	H	α-helix	trans	-64.3	-42.2	176.7	-72.9	172.4	0	0	0	111.6	Y147 L148 T154 A155	Y147-L151 WeakPolarHBondContact O-CB 3.4Å; Y147-L151 VanDerWaalsContact O-CG 3.26Å; Y147-L151 WeakPolarHBondContact O-CG 3.41Å; Y147-L151 PolarHBondContact O-N 2.77Å; L148-L151 PolarHBondContact O-N 2.8Å; L151-T154 PolarHBondContact O-N 2.91Å; L151-A155 WeakPolarHBondContact O-CB 3.16Å; L151-A155 PolarHBondContact O-N 2.86Å
152	G	92.4	Very high	87.1	Confident	42 Å²	42	99.3 Å²	99.3	43%	0.433	54%	0.541	S	S	.	.	H	α-helix	trans	-62.6	-46.3	175.9	0	0	0	0	0	112.6	L148 W149 T154 A155 S156	L148-G152 PolarHBondContact O-N 3.25Å; W149-G152 PolarHBondContact O-N 3.14Å; G152-T154 VanDerWaalsContact C-N 3.34Å; G152-T154 PolarHBondContact O-N 2.83Å; G152-A155 PolarHBondContact O-N 2.81Å; G152-S156 WeakPolarHBondContact O-CB 3.33Å; G152-S156 PolarHBondContact O-N 3.06Å; G152-S156 PolarHBondContact O-OG 2.93Å
153	A	93.3	Very high	88.6	Confident	62 Å²	62	100 Å²	100	51%	0.512	54%	0.539	S	S	.	.	H	α-helix	trans	-60.5	-45.8	176.1	0	0	0	0	0	110.9	W149 V150 S156 G157	W149-A153 VanDerWaalsContact O-CB 3.29Å; W149-A153 WeakPolarHBondContact O-CB 3.39Å; W149-A153 PolarHBondContact O-N 2.88Å; V150-A153 PolarHBondContact O-N 2.96Å; A153-S156 PolarHBondContact O-N 3.42Å; A153-S156 PolarHBondContact O-OG 2.76Å; A153-G157 PolarHBondContact O-N 2.8Å
154	T	94.1	Very high	89.9	Confident	69 Å²	69	98.6 Å²	98.6	42%	0.423	54%	0.535	S	S	.	.	H	α-helix	trans	-62.8	-47.7	179.6	-55.7	0	0	0	0	111.6	V150 L151 G152 S156 G157 F158	V150-T154 VanDerWaalsContact O-CB 3.32Å; V150-T154 WeakPolarHBondContact O-CB 3.14Å; V150-T154 PolarHBondContact O-N 3.03Å; V150-T154 PolarHBondContact O-OG1 2.85Å; L151-T154 PolarHBondContact O-N 2.91Å; G152-T154 VanDerWaalsContact C-N 3.34Å; G152-T154 PolarHBondContact O-N 2.83Å; T154-S156 PolarHBondContact O-N 2.89Å; T154-G157 PolarHBondContact O-N 3.41Å; T154-F158 HydrophobicContact CG2-CD2 3.85Å; T154-F158 HydrophobicContact CG2-CE2 3.52Å; T154-F158 WeakPolarHBondContact O-CD2 3.49Å; T154-F158 PolarHBondContact O-N 3.28Å; T154-F158 VanDerWaalsContact O-N 3.15Å
155	A	94.7	Very high	91.1	Very high	53 Å²	53	96.7 Å²	96.7	44%	0.438	52%	0.519	S	S	.	.	H	α-helix	trans	-62.8	-42.3	178.9	0	0	0	0	0	112.5	L151 G152 G157 F158 F159	L151-A155 WeakPolarHBondContact O-CB 3.16Å; L151-A155 PolarHBondContact O-N 2.86Å; G152-A155 PolarHBondContact O-N 2.81Å; A155-G157 PolarHBondContact O-N 2.89Å; A155-F158 PolarHBondContact O-N 3.48Å; A155-F159 PolarHBondContact O-N 3.24Å; A155-F159 VanDerWaalsContact O-N 3.07Å
156	S	94.6	Very high	92.1	Very high	66 Å²	66	97.3 Å²	97.3	46%	0.462	52%	0.521	S	S	.	.	H	α-helix	trans	-63.9	-40.4	177.6	70.4	0	0	0	0	112.3	G152 A153 T154 F159 L160	G152-S156 WeakPolarHBondContact O-CB 3.33Å; G152-S156 PolarHBondContact O-N 3.06Å; G152-S156 PolarHBondContact O-OG 2.93Å; A153-S156 PolarHBondContact O-N 3.42Å; A153-S156 PolarHBondContact O-OG 2.76Å; T154-S156 PolarHBondContact O-N 2.89Å; S156-F159 PolarHBondContact O-N 2.77Å; S156-L160 WeakPolarHBondContact O-CG 3.48Å; S156-L160 PolarHBondContact O-N 2.88Å
157	G	95.1	Very high	92.8	Very high	38 Å²	38	96 Å²	96	39%	0.392	52%	0.523	S	S	.	.	H	α-helix	trans	-60.2	-46.8	175.9	0	0	0	0	0	112.6	A153 T154 A155 F159 L160 Y161	A153-G157 PolarHBondContact O-N 2.8Å; T154-G157 PolarHBondContact O-N 3.41Å; A155-G157 PolarHBondContact O-N 2.89Å; G157-F159 VanDerWaalsContact C-N 3.35Å; G157-F159 PolarHBondContact O-N 2.87Å; G157-L160 PolarHBondContact O-N 2.82Å; G157-Y161 WeakPolarHBondContact O-CB 3.41Å; G157-Y161 PolarHBondContact O-N 2.03Å
158	F	95.5	Very high	93.4	Very high	146 Å²	146	93.5 Å²	93.5	64%	0.64	52%	0.519	S	S	*	.	H	α-helix	trans	-63.8	-37.9	176.8	-78.2	-64.5	0	0	0	112.9	T154 A155 Y161 S162	T154-F158 HydrophobicContact CG2-CD2 3.85Å; T154-F158 HydrophobicContact CG2-CE2 3.52Å; T154-F158 WeakPolarHBondContact O-CD2 3.49Å; T154-F158 PolarHBondContact O-N 3.28Å; T154-F158 VanDerWaalsContact O-N 3.15Å; A155-F158 PolarHBondContact O-N 3.48Å; F158-Y161 PolarHBondContact O-N 2.69Å; F158-S162 PolarHBondContact O-N 2.79Å
159	F	95.3	Very high	93.8	Very high	153 Å²	153	92.1 Å²	92.1	67%	0.671	52%	0.516	S	S	*	.	H	α-helix	trans	-62.9	-47.7	176	-106.2	-82.8	0	0	0	112.2	A155 S156 G157 Y161 S162 I163	A155-F159 PolarHBondContact O-N 3.24Å; A155-F159 VanDerWaalsContact O-N 3.07Å; S156-F159 PolarHBondContact O-N 2.77Å; G157-F159 VanDerWaalsContact C-N 3.35Å; G157-F159 PolarHBondContact O-N 2.87Å; F159-Y161 VanDerWaalsContact C-N 3.32Å; F159-Y161 PolarHBondContact O-N 2.87Å; F159-S162 PolarHBondContact O-N 2.82Å; F159-I163 WeakPolarHBondContact O-CG1 3.32Å; F159-I163 PolarHBondContact O-N 2.82Å; F159-I163 VanDerWaalsContact O-N 3.12Å
160	L	95.6	Very high	94	Very high	110 Å²	110	86.2 Å²	86.2	58%	0.576	50%	0.502	S	S	*	.	H	α-helix	trans	-62	-41.4	177.7	-68.7	174.8	0	0	0	111.5	S156 G157 S162 I163 I164	S156-L160 WeakPolarHBondContact O-CG 3.48Å; S156-L160 PolarHBondContact O-N 2.88Å; G157-L160 PolarHBondContact O-N 2.82Å; L160-S162 PolarHBondContact O-N 2.76Å; L160-I163 PolarHBondContact O-N 2.76Å; L160-I164 VanDerWaalsContact O-CG1 3.26Å; L160-I164 WeakPolarHBondContact O-CG1 3.13Å; L160-I164 PolarHBondContact O-N 2.06Å
161	Y	95.6	Very high	93.9	Very high	152 Å²	152	84.2 Å²	84.2	60%	0.596	50%	0.498	S	S	*	.	H	α-helix	trans	-60.2	-44.2	177	-174.9	-108.7	0	0	0	112.5	G157 F158 F159 I163 I164 I165	G157-Y161 WeakPolarHBondContact O-CB 3.41Å; G157-Y161 PolarHBondContact O-N 2.03Å; F158-Y161 PolarHBondContact O-N 2.69Å; F159-Y161 VanDerWaalsContact C-N 3.32Å; F159-Y161 PolarHBondContact O-N 2.87Å; Y161-I163 PolarHBondContact O-N 2.89Å; Y161-I164 PolarHBondContact O-N 2.88Å; Y161-I165 HydrophobicContact CD1-CD1 3.65Å; Y161-I165 HydrophobicContact CD2-CD1 4.48Å; Y161-I165 HydrophobicContact CE1-CD1 3.16Å; Y161-I165 HydrophobicContact CE1-CG1 4.33Å; Y161-I165 HydrophobicContact CE2-CD1 4.07Å; Y161-I165 HydrophobicContact CG-CD1 4.29Å; Y161-I165 WeakPolarHBondContact O-CG1 3.36Å; Y161-I165 PolarHBondContact O-N 3.19Å
162	S	95.4	Very high	93.8	Very high	67 Å²	67	86.2 Å²	86.2	47%	0.469	50%	0.502	S	S	.	.	H	α-helix	trans	-61.3	-42.5	176.9	-176.9	0	0	0	0	112.6	F158 F159 L160 S166	F158-S162 PolarHBondContact O-N 2.79Å; F159-S162 PolarHBondContact O-N 2.82Å; L160-S162 PolarHBondContact O-N 2.76Å; S162-S166 WeakPolarHBondContact O-CB 3.34Å; S162-S166 PolarHBondContact O-N 3.05Å; S162-S166 PolarHBondContact O-OG 2.81Å
163	I	95.3	Very high	93.5	Very high	102 Å²	102	86.5 Å²	86.5	52%	0.523	50%	0.5	S	S	.	.	H	α-helix	trans	-63.6	-44.7	177.4	-67.1	168.9	0	0	0	110.7	F159 L160 Y161 S166 A167	F159-I163 WeakPolarHBondContact O-CG1 3.32Å; F159-I163 PolarHBondContact O-N 2.82Å; F159-I163 VanDerWaalsContact O-N 3.12Å; L160-I163 PolarHBondContact O-N 2.76Å; Y161-I163 PolarHBondContact O-N 2.89Å; I163-S166 PolarHBondContact O-N 3.2Å; I163-A167 WeakPolarHBondContact O-CB 3.07Å; I163-A167 PolarHBondContact O-N 2.8Å
164	I	95.4	Very high	93	Very high	100 Å²	100	87.6 Å²	87.6	51%	0.513	50%	0.497	S	S	.	.	H	α-helix	trans	-62.6	-47.4	-179.5	-67.2	164.5	0	0	0	110.9	L160 Y161 S166 A167 I168	L160-I164 VanDerWaalsContact O-CG1 3.26Å; L160-I164 WeakPolarHBondContact O-CG1 3.13Å; L160-I164 PolarHBondContact O-N 2.06Å; Y161-I164 PolarHBondContact O-N 2.88Å; I164-S166 VanDerWaalsContact C-N 3.33Å; I164-S166 PolarHBondContact O-N 3.09Å; I164-A167 PolarHBondContact O-N 2.99Å; I164-I168 HydrophobicContact CG2-CD1 3.87Å; I164-I168 WeakPolarHBondContact O-CG1 3.39Å; I164-I168 PolarHBondContact O-N 2.84Å
165	I	94.8	Very high	92.2	Very high	69 Å²	69	89.3 Å²	89.3	35%	0.354	50%	0.5	S	S	.	.	H	α-helix	trans	-60	-47.1	177.6	-70.1	169.6	0	0	0	110.5	Y161 A167 I168 V169	Y161-I165 HydrophobicContact CD1-CD1 3.65Å; Y161-I165 HydrophobicContact CD2-CD1 4.48Å; Y161-I165 HydrophobicContact CE1-CD1 3.16Å; Y161-I165 HydrophobicContact CE1-CG1 4.33Å; Y161-I165 HydrophobicContact CE2-CD1 4.07Å; Y161-I165 HydrophobicContact CG-CD1 4.29Å; Y161-I165 WeakPolarHBondContact O-CG1 3.36Å; Y161-I165 PolarHBondContact O-N 3.19Å; I165-A167 VanDerWaalsContact C-N 3.3Å; I165-A167 PolarHBondContact O-N 2.8Å; I165-I168 PolarHBondContact O-N 2.56Å; I165-I168 VanDerWaalsContact O-N 3.17Å; I165-V169 HydrophobicContact CG2-CG2 4.19Å; I165-V169 WeakPolarHBondContact O-CG2 3.46Å; I165-V169 PolarHBondContact O-N 2.85Å
166	S	94.6	Very high	91.2	Very high	63 Å²	63	96 Å²	96	44%	0.441	51%	0.514	S	S	.	.	H	α-helix	trans	-58.4	-43.8	-179.8	-60.5	0	0	0	0	111.2	S162 I163 I164 I168 V169 V170	S162-S166 WeakPolarHBondContact O-CB 3.34Å; S162-S166 PolarHBondContact O-N 3.05Å; S162-S166 PolarHBondContact O-OG 2.81Å; I163-S166 PolarHBondContact O-N 3.2Å; I164-S166 VanDerWaalsContact C-N 3.33Å; I164-S166 PolarHBondContact O-N 3.09Å; S166-I168 PolarHBondContact O-N 2.91Å; S166-V169 PolarHBondContact O-N 2.98Å; S166-V170 WeakPolarHBondContact O-CB 3.5Å; S166-V170 VanDerWaalsContact O-CG2 3.24Å; S166-V170 WeakPolarHBondContact O-CG2 3.49Å; S166-V170 PolarHBondContact O-N 2.67Å
167	A	94.1	Very high	90.1	Very high	63 Å²	63	102.2 Å²	102.2	52%	0.521	53%	0.527	S	S	.	.	H	α-helix	trans	-62.8	-41.8	176.5	0	0	0	0	0	112.7	I163 I164 I165 G171	I163-A167 WeakPolarHBondContact O-CB 3.07Å; I163-A167 PolarHBondContact O-N 2.8Å; I164-A167 PolarHBondContact O-N 2.99Å; I165-A167 VanDerWaalsContact C-N 3.3Å; I165-A167 PolarHBondContact O-N 2.8Å; A167-G171 PolarHBondContact O-N 2.78Å
168	I	93.8	Very high	88.8	Confident	97 Å²	97	109 Å²	109	50%	0.497	54%	0.541	S	S	.	.	H	α-helix	trans	-64.8	-44.9	177.8	-66.9	166.8	0	0	0	111	I164 I165 S166 G171 K172	I164-I168 HydrophobicContact CG2-CD1 3.87Å; I164-I168 WeakPolarHBondContact O-CG1 3.39Å; I164-I168 PolarHBondContact O-N 2.84Å; I165-I168 PolarHBondContact O-N 2.56Å; I165-I168 VanDerWaalsContact O-N 3.17Å; S166-I168 PolarHBondContact O-N 2.91Å; I168-G171 PolarHBondContact O-N 3.49Å; I168-K172 PolarHBondContact O-N 3.29Å
169	V	92.7	Very high	87.1	Confident	92 Å²	92	110.7 Å²	110.7	56%	0.558	54%	0.543	S	S	*	.	H	α-helix	trans	-65.1	-47	-179.9	174.2	0	0	0	0	110.7	I165 S166 K172 A173	I165-V169 HydrophobicContact CG2-CG2 4.19Å; I165-V169 WeakPolarHBondContact O-CG2 3.46Å; I165-V169 PolarHBondContact O-N 2.85Å; S166-V169 PolarHBondContact O-N 2.98Å; V169-K172 PolarHBondContact O-N 2.74Å; V169-A173 WeakPolarHBondContact O-CB 3.44Å; V169-A173 PolarHBondContact O-N 3.36Å
170	V	91.6	Very high	85.5	Confident	81 Å²	81	109.9 Å²	109.9	49%	0.491	55%	0.545	S	S	.	.	H	α-helix	trans	-62.6	-43.7	176.6	172.3	0	0	0	0	110.7	S166 K172 A173 I174	S166-V170 WeakPolarHBondContact O-CB 3.5Å; S166-V170 VanDerWaalsContact O-CG2 3.24Å; S166-V170 WeakPolarHBondContact O-CG2 3.49Å; S166-V170 PolarHBondContact O-N 2.67Å; V170-K172 PolarHBondContact O-N 2.81Å; V170-A173 PolarHBondContact O-N 3.04Å; V170-I174 HydrophobicContact CG1-CD1 3.64Å; V170-I174 HydrophobicContact CG1-CG1 4.24Å; V170-I174 VanDerWaalsContact O-CG1 3.31Å; V170-I174 WeakPolarHBondContact O-CG1 3.31Å; V170-I174 PolarHBondContact O-N 2.83Å
171	G	89.1	Confident	83.7	Confident	37 Å²	37	109.7 Å²	109.7	38%	0.381	55%	0.548	S	S	.	.	H	α-helix	trans	-58.3	-46.9	176.2	0	0	0	0	0	112.5	A167 I168 I174 Q175	A167-G171 PolarHBondContact O-N 2.78Å; I168-G171 PolarHBondContact O-N 3.49Å; G171-I174 PolarHBondContact O-N 3.5Å; G171-Q175 WeakPolarHBondContact O-CB 3.26Å; G171-Q175 PolarHBondContact O-N 2.99Å
172	K	87.2	Confident	81.7	Confident	148 Å²	148	107.6 Å²	107.6	64%	0.643	55%	0.551	S	S	*	*	H	α-helix	trans	-64	-39.7	174.6	-78.6	-163.2	173.8	175.5	0	112.3	I168 V169 V170 Q175 R176	I168-K172 PolarHBondContact O-N 3.29Å; V169-K172 PolarHBondContact O-N 2.74Å; V170-K172 PolarHBondContact O-N 2.81Å; K172-Q175 PolarHBondContact O-N 2.95Å; K172-R176 VanDerWaalsContact O-CB 3.29Å; K172-R176 WeakPolarHBondContact O-CB 3.42Å; K172-R176 PolarHBondContact O-N 3.1Å
173	A	85.1	Confident	79.9	Confident	49 Å²	49	106.6 Å²	106.6	41%	0.405	55%	0.552	S	S	.	*	H	α-helix	trans	-64.4	-44	177.2	0	0	0	0	0	112.2	V169 V170 R176 R177	V169-A173 WeakPolarHBondContact O-CB 3.44Å; V169-A173 PolarHBondContact O-N 3.36Å; V170-A173 PolarHBondContact O-N 3.04Å; A173-R176 PolarHBondContact O-N 3.45Å; A173-R177 WeakPolarHBondContact O-CG 3.02Å; A173-R177 PolarHBondContact O-N 2.94Å
174	I	83.3	Confident	78	Confident	85 Å²	85	107.8 Å²	107.8	44%	0.436	56%	0.564	S	S	.	*	H	α-helix	trans	-64.3	-45.7	176.3	-67.5	169.3	0	0	0	110.5	V170 G171 R176 R177 R178	V170-I174 HydrophobicContact CG1-CD1 3.64Å; V170-I174 HydrophobicContact CG1-CG1 4.24Å; V170-I174 VanDerWaalsContact O-CG1 3.31Å; V170-I174 WeakPolarHBondContact O-CG1 3.31Å; V170-I174 PolarHBondContact O-N 2.83Å; G171-I174 PolarHBondContact O-N 3.5Å; I174-R176 VanDerWaalsContact C-N 3.3Å; I174-R176 PolarHBondContact O-N 2.96Å; I174-R177 PolarHBondContact O-N 2.73Å; I174-R178 PolarHBondContact O-N 3.37Å
175	Q	77.1	Confident	76.1	Confident	105 Å²	105	113.7 Å²	113.7	49%	0.491	58%	0.581	S	S	.	*	H	α-helix	trans	-62.2	-39.7	178.1	-168.7	178.9	17.6	0	0	111.6	G171 K172 R178 R179	G171-Q175 WeakPolarHBondContact O-CB 3.26Å; G171-Q175 PolarHBondContact O-N 2.99Å; K172-Q175 PolarHBondContact O-N 2.95Å; Q175-R178 PolarHBondContact O-N 2.97Å; Q175-R179 WeakPolarHBondContact O-CG 3.06Å; Q175-R179 PolarHBondContact O-N 2.82Å
176	R	74.8	Confident	74.5	Confident	194 Å²	194	116 Å²	116	73%	0.732	60%	0.598	S	S	*	*	H	α-helix	trans	-64.2	-44.9	175.6	-153.4	179.1	-166.1	-167.4	3.7	111.3	K172 A173 I174 R179 L180	K172-R176 VanDerWaalsContact O-CB 3.29Å; K172-R176 WeakPolarHBondContact O-CB 3.42Å; K172-R176 PolarHBondContact O-N 3.1Å; A173-R176 PolarHBondContact O-N 3.45Å; I174-R176 VanDerWaalsContact C-N 3.3Å; I174-R176 PolarHBondContact O-N 2.96Å; R176-R179 PolarHBondContact O-N 3.38Å; R176-L180 WeakPolarHBondContact O-CD1 3.21Å; R176-L180 PolarHBondContact O-N 3.45Å; R176-L180 VanDerWaalsContact O-N 3.15Å
177	R	71.4	Confident	72.7	Confident	196 Å²	196	122.4 Å²	122.4	74%	0.74	62%	0.618	S	S	*	*	H	α-helix	trans	-60	-45.2	174.1	-74.6	-170.1	-168.6	-160	5	112.2	A173 I174 R179 L180 T181	A173-R177 WeakPolarHBondContact O-CG 3.02Å; A173-R177 PolarHBondContact O-N 2.94Å; I174-R177 PolarHBondContact O-N 2.73Å; R177-R179 PolarHBondContact O-N 3.3Å; R177-L180 PolarHBondContact O-N 3.35Å; R177-T181 PolarHBondContact O-N 2.84Å; R177-T181 PolarHBondContact O-OG1 3.24Å
178	R	66.7	Low	70.5	Confident	180 Å²	180	127.6 Å²	127.6	68%	0.679	63%	0.634	S	S	*	*	H	α-helix	trans	-59.1	-43.7	177.6	-77.7	-174.2	179.9	-178.1	0.9	112.5	I174 Q175 L180 T181 T182	I174-R178 PolarHBondContact O-N 3.37Å; Q175-R178 PolarHBondContact O-N 2.97Å; R178-L180 VanDerWaalsContact C-N 3.32Å; R178-L180 PolarHBondContact O-N 3.35Å; R178-T181 WeakPolarHBondContact CA-OG1 3.39Å; R178-T181 PolarHBondContact O-N 2.96Å; R178-T181 PolarHBondContact O-OG1 3.28Å; R178-T182 PolarHBondContact O-N 3.29Å; R178-T182 PolarHBondContact O-OG1 3.4Å
179	R	61.3	Low	68.5	Low	182 Å²	182	129 Å²	129	69%	0.687	65%	0.649	S	S	*	*	H	α-helix	trans	-63.7	-35.2	177	-73.5	-170.4	-177	-150.3	2.8	113	Q175 R176 R177 T182	Q175-R179 WeakPolarHBondContact O-CG 3.06Å; Q175-R179 PolarHBondContact O-N 2.82Å; R176-R179 PolarHBondContact O-N 3.38Å; R177-R179 PolarHBondContact O-N 3.3Å; R179-T182 PolarHBondContact O-OG1 3.46Å; R179-T182 VanDerWaalsContact O-OG1 3.08Å
180	L	61.5	Low	66.2	Low	136 Å²	136	130.1 Å²	130.1	71%	0.712	66%	0.661	S	S	*	*	H	α-helix	trans	-70.2	-35.5	175.6	-86.7	147	0	0	0	112.4	R176 R177 R178	R176-L180 WeakPolarHBondContact O-CD1 3.21Å; R176-L180 PolarHBondContact O-N 3.45Å; R176-L180 VanDerWaalsContact O-N 3.15Å; R177-L180 PolarHBondContact O-N 3.35Å; R178-L180 VanDerWaalsContact C-N 3.32Å; R178-L180 PolarHBondContact O-N 3.35Å
181	T	56.9	Low	64.2	Low	105 Å²	105	134.3 Å²	134.3	64%	0.644	68%	0.675	S	S	*	*	H	α-helix	trans	-77.3	-20.4	178.3	45.9	0	0	0	0	114.4	R177 R178 G183	R177-T181 PolarHBondContact O-N 2.84Å; R177-T181 PolarHBondContact O-OG1 3.24Å; R178-T181 WeakPolarHBondContact CA-OG1 3.39Å; R178-T181 PolarHBondContact O-N 2.96Å; R178-T181 PolarHBondContact O-OG1 3.28Å; T181-G183 PolarHBondContact O-N 2.88Å
182	T	54.5	Low	62.1	Low	108 Å²	108	142.2 Å²	142.2	66%	0.663	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	23.3	172	47.9	0	0	0	0	113.1	R178 R179 V184	R178-T182 PolarHBondContact O-N 3.29Å; R178-T182 PolarHBondContact O-OG1 3.4Å; R179-T182 PolarHBondContact O-OG1 3.46Å; R179-T182 VanDerWaalsContact O-OG1 3.08Å; T182-V184 PolarHBondContact O-N 2.68Å
183	G	56.5	Low	60	Low	47 Å²	47	140 Å²	140	49%	0.485	70%	0.698	S	S	.	*	S	Bend	trans	-62.3	123.7	163.2	0	0	0	0	0	109.3	T181 Y185	T181-G183 PolarHBondContact O-N 2.88Å; G183-Y185 PolarHBondContact O-N 2.97Å; G183-Y185 VanDerWaalsContact O-N 3.13Å
184	V	55.7	Low	58.1	Low	127 Å²	127	146.9 Å²	146.9	77%	0.77	72%	0.722	S	S	*	*			trans	-51.9	111.4	-172.4	-179	0	0	0	0	111.7	T182 V186	T182-V184 PolarHBondContact O-N 2.68Å; V184-V186 VanDerWaalsContact C-N 3.34Å; V184-V186 HydrophobicContact CB-CG2 4.46Å; V184-V186 HydrophobicContact CG1-CG2 3.67Å; V184-V186 PolarHBondContact O-N 3.13Å
185	Y	56	Low	56.2	Low	223 Å²	223	152 Å²	152	88%	0.875	74%	0.741	S	S	*	*			trans	-72.3	91.5	163.7	-76.9	-88.1	0	0	0	108.3	G183 K187	G183-Y185 PolarHBondContact O-N 2.97Å; G183-Y185 VanDerWaalsContact O-N 3.13Å; Y185-K187 PolarHBondContact O-N 3.39Å
186	V	60	Low	54.4	Low	117 Å²	117	156.3 Å²	156.3	71%	0.709	76%	0.758	S	S	*	*			trans	-73.5	114.4	171.6	-169.2	0	0	0	0	107.9	V184 M188	V184-V186 VanDerWaalsContact C-N 3.34Å; V184-V186 HydrophobicContact CB-CG2 4.46Å; V184-V186 HydrophobicContact CG1-CG2 3.67Å; V184-V186 PolarHBondContact O-N 3.13Å; V186-M188 PolarHBondContact O-N 3.26Å
187	K	56.6	Low	53	Low	199 Å²	199	153.3 Å²	153.3	87%	0.865	76%	0.761	S	S	*	*			trans	-71.8	111.7	173.9	-154.1	175.3	-169.5	179.7	0	107.9	Y185	Y185-K187 PolarHBondContact O-N 3.39Å
188	M	49.3	Very low	52.1	Low	172 Å²	172	150 Å²	150	85%	0.847	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-70.1	133.2	175.3	-64.3	177.5	-169.5	0	0	109.9	V186	V186-M188 PolarHBondContact O-N 3.26Å
189	P	50.4	Low	51.3	Low	127 Å²	127	146.5 Å²	146.5	83%	0.825	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-74.2	138.9	173.1	29.3	-30.1	0	0	0	110.3	E191	P189-E191 PolarHBondContact O-N 2.78Å
190	S	45.4	Very low	50.9	Low	114 Å²	114	147.2 Å²	147.2	80%	0.797	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-74.4	122.5	175.3	53.1	0	0	0	0	110.6	K192	S190-K192 PolarHBondContact O-N 2.93Å
191	E	49.2	Very low	50.2	Low	169 Å²	169	149.7 Å²	149.7	79%	0.79	77%	0.773	S	S	*	*			trans	-75.1	101.6	173.1	-164.9	176	172.6	0	0	109	P189 T193	P189-E191 PolarHBondContact O-N 2.78Å; E191-T193 PolarHBondContact O-N 3.06Å
192	K	44.3	Very low	49.9	Very low	204 Å²	204	151.8 Å²	151.8	89%	0.887	78%	0.779	S	S	*	*			trans	-75.2	92	163.3	-88.2	-175	175.2	-179	0	108.1	S190 E194	S190-K192 PolarHBondContact O-N 2.93Å; K192-E194 PolarHBondContact O-N 3.36Å
193	T	44.7	Very low	49.5	Very low	100 Å²	100	153.3 Å²	153.3	61%	0.613	79%	0.788	S	S	*	*			trans	-83	98.9	171.1	-18.8	0	0	0	0	109.4	E191 K195	E191-T193 PolarHBondContact O-N 3.06Å; T193-K195 PolarHBondContact O-N 2.93Å; T193-K195 VanDerWaalsContact O-N 3.16Å
194	E	44.7	Very low	49	Very low	194 Å²	194	158.9 Å²	158.9	91%	0.907	81%	0.805	S	S	*	*			trans	-62.7	107.4	161	-95.6	-173.7	149.8	0	0	108.5	K192 K196	K192-E194 PolarHBondContact O-N 3.36Å; E194-K196 PolarHBondContact O-N 2.84Å
195	K	42.6	Very low	48.5	Very low	192 Å²	192	163.7 Å²	163.7	84%	0.835	83%	0.827	S	S	*	*			trans	-75.7	102.6	173.9	-73.2	-176.4	178.2	178.6	0	109.7	T193 V197	T193-K195 PolarHBondContact O-N 2.93Å; T193-K195 VanDerWaalsContact O-N 3.16Å; K195-V197 PolarHBondContact O-N 3.24Å
196	K	39.9	Very low	48.1	Very low	197 Å²	197	160.8 Å²	160.8	86%	0.857	82%	0.824	S	S	*	*			trans	-80.9	106.7	167.8	-144.2	179	-172	-176.7	0	108.7	E194	E194-K196 PolarHBondContact O-N 2.84Å
197	V	46.3	Very low	47.5	Very low	131 Å²	131	163.1 Å²	163.1	79%	0.794	83%	0.83	S	S	*	*			trans	-83.8	124.4	175.8	-179.8	0	0	0	0	108.7	K195	K195-V197 PolarHBondContact O-N 3.24Å
198	I	51	Low	47	Very low	126 Å²	126	161.1 Å²	161.1	65%	0.646	83%	0.828	S	S	*	*			trans	-118.2	128.4	171.3	-54.9	171.4	0	0	0	107
199	P	51.2	Low	46.8	Very low	107 Å²	107	160.4 Å²	160.4	70%	0.695	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-80.6	136.2	-176.5	31.2	-31.5	0	0	0	111.4
200	F	51.4	Low	46.6	Very low	196 Å²	196	162.5 Å²	162.5	86%	0.86	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-92	123.2	171.1	-69.5	-86.5	0	0	0	109.7
201	H	48.3	Very low	46.7	Very low	189 Å²	189	165.7 Å²	165.7	88%	0.875	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-82.2	127.4	166	-90.3	-75.6	0	0	0	109.4
202	I	49.6	Very low	46.5	Very low	149 Å²	149	165.5 Å²	165.5	76%	0.764	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-97.8	116.3	174	-58.6	166.9	0	0	0	107.4	I204	I202-I204 HydrophobicContact CG2-CG1 4.41Å
203	T	45.9	Very low	46.7	Very low	140 Å²	140	162.5 Å²	162.5	86%	0.859	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-90.3	123.4	164.8	37.7	0	0	0	0	109.1
204	I	47.1	Very low	46.8	Very low	164 Å²	164	167.8 Å²	167.8	84%	0.841	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-91.5	128.3	174.4	-60.1	166.5	0	0	0	107	I202	I202-I204 HydrophobicContact CG2-CG1 4.41Å
205	N	44.1	Very low	47	Very low	228 Å²	228	165.4 Å²	165.4	100%	1.219	84%	0.84	S	S	*	*			trans	-112.6	0	166.7	-172.5	65	0	0	0	108.7

Retrieved 205 of 205 residues in 55 ms (Link to these results)

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