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Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1

Subunit of the oligosaccharyl transferase (OST) complex that catalyzes the initial transfer of a defined glycan (Glc(3)Man(9)GlcNAc(2) in eukaryotes) from the lipid carrier dolichol-pyrophosphate to an asparagine residue within an Asn-X-Ser/Thr consensus motif in nascent polypeptide chains, the first step in protein N-glycosylation. N-glycosylation occurs cotranslationally and the complex associates with the Sec61 complex at the channel-forming translocon complex that mediates protein translocation across the endoplasmic reticulum (ER). All subunits are required for a maximal enzyme activity.

AlphaFold DB , UniProt , Accession A0A060XI76, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110494515, Length 602 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	37	Very low	34.2	Very low	241 Å²	241	151.5 Å²	151.5	100%	1.187	85%	0.845	S	S	*	*				0	99	0	-74.8	175.5	-174	0	0	106.5
2	A	32.6	Very low	34.1	Very low	95 Å²	95	150.3 Å²	150.3	79%	0.785	84%	0.844	S	S	*	*				70.2	119.4	100.3	0	0	0	0	0	110.2
3	R	32.9	Very low	34	Very low	240 Å²	240	147.8 Å²	147.8	91%	0.906	84%	0.841	S	S	*	*			cis	-156.7	147.2	40.1	-77.5	175.2	165.5	168.6	-5.5	111.8
4	S	33.4	Very low	33.7	Very low	111 Å²	111	148.1 Å²	148.1	78%	0.776	84%	0.838	S	S	*	*			trans	-69	143.6	162	49.1	0	0	0	0	113.3
5	I	34.8	Very low	33.6	Very low	164 Å²	164	148.4 Å²	148.4	84%	0.841	84%	0.835	S	S	*	*			trans	-141.4	138.3	151.3	-61.6	-175.7	0	0	0	107.8
6	P	39.3	Very low	33.4	Very low	116 Å²	116	147.6 Å²	147.6	75%	0.753	83%	0.827	S	S	*	*			trans	-100	157.3	-152.5	35.8	-27.4	0	0	0	115.1
7	F	32	Very low	33.4	Very low	204 Å²	204	148.1 Å²	148.1	90%	0.895	83%	0.826	S	S	*	*			trans	-63.4	125.5	166.7	-88.6	-99.3	0	0	0	110.8
8	C	31.4	Very low	33.4	Very low	129 Å²	129	145.9 Å²	145.9	87%	0.872	82%	0.817	S	S	*	*			trans	-93.8	104.3	170.6	-149.4	0	0	0	0	108.1
9	T	31.6	Very low	33.4	Very low	125 Å²	125	141.1 Å²	141.1	77%	0.767	80%	0.803	S	S	*	*			trans	-83	116	174.2	46.6	0	0	0	0	109.8
10	V	34.3	Very low	33.6	Very low	130 Å²	130	141.4 Å²	141.4	79%	0.788	80%	0.801	S	S	*	*			trans	-72.6	128.5	168.4	178.6	0	0	0	0	108.5	T12	V10-T12 PolarHBondContact O-N 2.75Å
11	P	36.7	Very low	33.6	Very low	112 Å²	112	138.8 Å²	138.8	73%	0.727	79%	0.791	S	S	*	*			trans	-80.8	116.4	171.4	31.2	-27.7	0	0	0	109.1	C13	P11-C13 PolarHBondContact O-N 2.67Å
12	T	33	Very low	33.7	Very low	136 Å²	136	133.6 Å²	133.6	83%	0.834	76%	0.759	S	S	*	*			trans	-62.4	100.1	164.3	11.3	0	0	0	0	109.2	V10 L14	V10-T12 PolarHBondContact O-N 2.75Å; T12-L14 PolarHBondContact O-N 3.38Å; T12-L14 VanDerWaalsContact O-N 3.13Å
13	C	32.4	Very low	34	Very low	119 Å²	119	139.3 Å²	139.3	80%	0.804	76%	0.76	S	S	*	*			trans	-68.6	100.8	164.1	-101.8	0	0	0	0	108.8	P11 L15	P11-C13 PolarHBondContact O-N 2.67Å; C13-L15 PolarHBondContact O-N 2.87Å; C13-L15 VanDerWaalsContact O-N 3.14Å
14	L	30.3	Very low	34.4	Very low	151 Å²	151	131.1 Å²	131.1	79%	0.791	74%	0.737	S	S	*	*			trans	-73.3	96	168.2	-154.1	87.3	0	0	0	107.9	T12 L16	T12-L14 PolarHBondContact O-N 3.38Å; T12-L14 VanDerWaalsContact O-N 3.13Å; L14-L16 HydrophobicContact CD2-CD1 4.42Å; L14-L16 PolarHBondContact O-N 3.23Å
15	L	32.3	Very low	35.1	Very low	153 Å²	153	131 Å²	131	80%	0.801	73%	0.731	S	S	*	*			trans	-68.9	94.6	169.2	-102.8	146.6	0	0	0	108.4	C13 I17	C13-L15 PolarHBondContact O-N 2.87Å; C13-L15 VanDerWaalsContact O-N 3.14Å; L15-I17 PolarHBondContact O-N 3.42Å
16	L	29.8	Very low	36.2	Very low	136 Å²	136	124.9 Å²	124.9	71%	0.712	71%	0.705	S	S	*	*			trans	-65.6	97.7	163.7	-104.3	123.8	0	0	0	108	L14 T18	L14-L16 HydrophobicContact CD2-CD1 4.42Å; L14-L16 PolarHBondContact O-N 3.23Å; L16-T18 VanDerWaalsContact C-N 3.28Å; L16-T18 PolarHBondContact O-N 2.85Å
17	I	33.3	Very low	37.3	Very low	156 Å²	156	123.9 Å²	123.9	80%	0.8	69%	0.694	S	S	*	*			trans	-71.5	91.7	163.6	-62.8	169.2	0	0	0	106	L15 G19	L15-I17 PolarHBondContact O-N 3.42Å; I17-G19 VanDerWaalsContact C-N 3.32Å; I17-G19 PolarHBondContact O-N 2.87Å
18	T	34.5	Very low	39.8	Very low	109 Å²	109	115.2 Å²	115.2	67%	0.669	66%	0.662	S	S	*	*			trans	-72.2	91.7	166.4	50.4	0	0	0	0	107.8	L16 L20	L16-T18 VanDerWaalsContact C-N 3.28Å; L16-T18 PolarHBondContact O-N 2.85Å; T18-L20 PolarHBondContact O-N 2.87Å
19	G	33.3	Very low	42.7	Very low	53 Å²	53	109.2 Å²	109.2	55%	0.546	62%	0.621	S	S	.	*			trans	-61.3	116.1	162.9	0	0	0	0	0	108.4	I17 C21	I17-G19 VanDerWaalsContact C-N 3.32Å; I17-G19 PolarHBondContact O-N 2.87Å; G19-C21 PolarHBondContact O-N 3.41Å; G19-C21 PolarHBondContact O-SG 2.82Å
20	L	36.9	Very low	45.8	Very low	148 Å²	148	103.8 Å²	103.8	78%	0.775	59%	0.588	S	S	*	*			trans	-59.8	102.3	170.9	-97.1	96.6	0	0	0	108.3	T18	T18-L20 PolarHBondContact O-N 2.87Å
21	C	33.4	Very low	48.7	Very low	86 Å²	86	97.7 Å²	97.7	58%	0.581	55%	0.551	S	S	*	*			trans	-88.7	110.5	172.8	-66.8	0	0	0	0	108.1	G19 R23 Q101	G19-C21 PolarHBondContact O-N 3.41Å; G19-C21 PolarHBondContact O-SG 2.82Å; C21-R23 PolarHBondContact O-N 3.22Å; C21-Q101 PolarHBondContact SG-NE2 3.24Å
22	Y	38.4	Very low	51.6	Low	133 Å²	133	94.4 Å²	94.4	52%	0.522	53%	0.526	S	S	.	.			trans	-74.2	111.5	171	-79.5	-88.1	0	0	0	109.3
23	R	38.9	Very low	54.7	Low	214 Å²	214	90.6 Å²	90.6	81%	0.808	50%	0.498	S	S	*	.			trans	-74.3	135.2	158.3	-85.8	-174.5	168.1	-176.2	-3.3	107.7	C21 V25	C21-R23 PolarHBondContact O-N 3.22Å; R23-V25 PolarHBondContact O-N 3Å
24	V	43.3	Very low	57.8	Low	68 Å²	68	84.9 Å²	84.9	41%	0.412	46%	0.46	S	S	.	.			trans	-69.7	88.2	169.3	-174.7	0	0	0	0	108.2	I100 P160 F204	V24-I100 HydrophobicContact CG2-CB 4.38Å; V24-I100 HydrophobicContact CG2-CD1 4.2Å; V24-I100 HydrophobicContact CG2-CG1 4.42Å; V24-I100 HydrophobicContact CG2-CG2 3.19Å; V24-P160 HydrophobicContact CG1-CB 4.41Å; V24-F204 HydrophobicContact CG1-CE2 4.49Å
25	V	47.3	Very low	61	Low	109 Å²	109	81.9 Å²	81.9	66%	0.661	44%	0.44	S	S	*	.			trans	-90.5	118.6	142.4	-179.1	0	0	0	0	102.6	R23 D27	R23-V25 PolarHBondContact O-N 3Å; V25-D27 PolarHBondContact O-N 3.13Å
26	A	57.3	Low	64.1	Low	36 Å²	36	75.1 Å²	75.1	30%	0.298	40%	0.404	S	S	.	.			trans	-52.6	114.8	164.2	0	0	0	0	0	105.1	G28 Y161	A26-G28 PolarHBondContact O-N 2.77Å; A26-Y161 HydrophobicContact CB-CD1 4.17Å
27	D	63.8	Low	67.4	Low	94 Å²	94	71.4 Å²	71.4	50%	0.503	39%	0.387	S	S	.	.			trans	-65.2	43.5	-175.8	-81.4	-27.7	0	0	0	111.7	V25 L29 V61	V25-D27 PolarHBondContact O-N 3.13Å; D27-L29 PolarHBondContact O-N 3.08Å; D27-L29 VanDerWaalsContact O-N 3.13Å; D27-V61 HydrophobicContact CB-CG2 4.48Å
28	G	82.9	Confident	70.5	Confident	22 Å²	22	64 Å²	64	23%	0.227	35%	0.35	C	S	.	.	S	Bend	trans	64.2	4.6	-168	0	0	0	0	0	115	A26 Q56 G57	A26-G28 PolarHBondContact O-N 2.77Å; G28-Q56 CarbonylContact O-C 3.57Å; G28-Q56 VanDerWaalsContact O-CA 3.32Å; G28-Q56 WeakPolarHBondContact O-CA 3.5Å; G28-Q56 WeakPolarHBondContact O-CB 3.32Å; G28-Q56 PolarHBondContact O-N 2.79Å; G28-G57 PolarHBondContact O-N 2.63Å
29	L	93.7	Very high	73.5	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.016	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	134.7	177.3	-69.1	-179.3	0	0	0	111.5	D27 N55 V61 F64 L116 Y161	D27-L29 PolarHBondContact O-N 3.08Å; D27-L29 VanDerWaalsContact O-N 3.13Å; L29-N55 HydrophobicContact CD2-CB 4.07Å; L29-V61 HydrophobicContact CD1-CG1 4.07Å; L29-V61 HydrophobicContact CD2-CB 4.46Å; L29-V61 HydrophobicContact CD2-CG2 4.38Å; L29-F64 HydrophobicContact CD1-CB 3.76Å; L29-L116 HydrophobicContact CD2-CD2 4.23Å; L29-Y161 HydrophobicContact CB-CD1 3.69Å; L29-Y161 HydrophobicContact CB-CE1 3.67Å; L29-Y161 HydrophobicContact CB-CG 4.27Å; L29-Y161 HydrophobicContact CD1-CE1 4Å; L29-Y161 HydrophobicContact CD1-CE2 4.49Å; L29-Y161 HydrophobicContact CG-CE1 4.4Å; L29-Y161 WeakPolarHBondContact O-CD1 3.41Å
30	V	95.4	Very high	76.6	Confident	12 Å²	12	57.7 Å²	57.7	7%	0.073	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.7	179.1	179.4	0	0	0	0	109	E32 L54 Q56 P162 R164	V30-E32 PolarHBondContact O-N 3.35Å; V30-L54 PolarHBondContact N-O 3.24Å; V30-L54 PolarHBondContact O-N 3.33Å; V30-Q56 HydrophobicContact CG2-CB 4.48Å; V30-Q56 HydrophobicContact CG2-CG 4.1Å; V30-P162 HydrophobicContact CG1-CG 4.37Å; V30-P162 HydrophobicContact CG2-CG 4.13Å; V30-R164 HydrophobicContact CG1-CG 4.04Å
31	N	96.6	Very high	79.5	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.011	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	103.2	168.9	-55.4	-27.6	0	0	0	107.7	V34 I51 L53 S159 P162 T163 R164	N31-V34 HydrophobicContact CB-CG2 3.81Å; N31-I51 HydrophobicContact CB-CG2 4.12Å; N31-L53 VanDerWaalsContact OD1-CD2 3.27Å; N31-L53 WeakPolarHBondContact OD1-CD2 3.36Å; N31-S159 PolarHBondContact ND2-OG 3.27Å; N31-P162 PolarHBondContact N-O 2.93Å; N31-T163 HydrophobicContact CB-CG2 4.05Å; N31-T163 WeakPolarHBondContact CB-OG1 3.35Å; N31-T163 PolarHBondContact ND2-OG1 3.15Å; N31-T163 CarbonylContact O-C 3.58Å; N31-T163 WeakPolarHBondContact O-CA 3.28Å; N31-R164 PolarHBondContact O-N 2.87Å
32	E	96.2	Very high	82.5	Confident	42 Å²	42	48.8 Å²	48.8	20%	0.196	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-40.9	-177.7	-171.2	177.1	-155.1	0	0	111.7	V30 L52 L54 K121 R164 S165	V30-E32 PolarHBondContact O-N 3.35Å; E32-L52 HydrophobicContact CB-CD2 4.28Å; E32-L52 HydrophobicContact CB-CG 4.35Å; E32-L52 HydrophobicContact CG-CD2 4.47Å; E32-L52 PolarHBondContact N-O 3.44Å; E32-L52 WeakPolarHBondContact OE2-CD2 3.32Å; E32-L54 HydrophobicContact CB-CB 4.31Å; E32-K121 IonicContact OE1-NZ 3.92Å; E32-K121 PolarHBondContact OE1-NZ 3.03Å; E32-K121 WeakPolarHBondContact OE2-CD 3.44Å; E32-K121 WeakPolarHBondContact OE2-CE 3.26Å; E32-K121 IonicContact OE2-NZ 3.52Å; E32-K121 PolarHBondContact OE2-NZ 2.91Å; E32-R164 WeakPolarHBondContact O-CB 3.31Å; E32-S165 PolarHBondContact O-N 3.14Å
33	E	97.6	Very high	85.3	Confident	56 Å²	56	43 Å²	43	26%	0.262	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	132	177	-174.5	-171.5	-155.6	0	0	109	K35 L52 R123 S165	E33-K35 WeakPolarHBondContact OE1-CE 3.22Å; E33-K35 IonicContact OE1-NZ 3.6Å; E33-L52 HydrophobicContact CB-CB 3.98Å; E33-L52 HydrophobicContact CB-CD2 4.28Å; E33-L52 PolarHBondContact O-N 3.11Å; E33-R123 IonicContact OE2-CZ 3.68Å; E33-R123 IonicContact OE2-NH1 3.7Å; E33-R123 IonicContact OE2-NH2 3.8Å; E33-R123 PolarHBondContact OE2-NH2 3.33Å; E33-S165 CarbonylContact C-O 3.6Å; E33-S165 WeakPolarHBondContact CA-O 2.94Å
34	V	98	Very high	88	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	119.9	172.8	176.7	0	0	0	0	109.1	N31 R36 E50 I51 L157 T163 S165 Q166 T167	N31-V34 HydrophobicContact CB-CG2 3.81Å; V34-R36 HydrophobicContact CG1-CB 4.42Å; V34-E50 WeakPolarHBondContact CA-O 3.42Å; V34-I51 HydrophobicContact CG2-CG1 4.45Å; V34-I51 HydrophobicContact CG2-CG2 4.26Å; V34-L157 HydrophobicContact CB-CD2 4.5Å; V34-L157 HydrophobicContact CG1-CB 4.18Å; V34-L157 HydrophobicContact CG1-CD2 3.82Å; V34-L157 HydrophobicContact CG1-CG 4.5Å; V34-L157 HydrophobicContact CG2-CD2 3.85Å; V34-T163 HydrophobicContact CB-CG2 4.14Å; V34-T163 HydrophobicContact CG2-CG2 3.59Å; V34-S165 PolarHBondContact N-O 3.33Å; V34-Q166 HydrophobicContact CB-CB 4.26Å; V34-Q166 HydrophobicContact CB-CG 4.11Å; V34-Q166 HydrophobicContact CG1-CG 4.09Å; V34-Q166 WeakPolarHBondContact O-CA 3.13Å; V34-T167 PolarHBondContact O-N 3.48Å
35	K	98	Very high	90.6	Very high	87 Å²	87	29.7 Å²	29.7	38%	0.378	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	107.3	168.2	-62.5	-179.1	-174.1	175.1	0	108.2	E33 E50	E33-K35 WeakPolarHBondContact OE1-CE 3.22Å; E33-K35 IonicContact OE1-NZ 3.6Å; K35-E50 HydrophobicContact CB-CB 4.33Å; K35-E50 PolarHBondContact N-O 2.82Å; K35-E50 PolarHBondContact O-N 3.33Å
36	R	97.9	Very high	93.1	Very high	11 Å²	11	26.8 Å²	26.8	4%	0.042	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.9	-179	-169	180	68.1	169.7	5.3	110.5	V34 V38 I47 T48 A49 N154 H155 Y156 T167 T168 R169	V34-R36 HydrophobicContact CG1-CB 4.42Å; R36-V38 HydrophobicContact CG-CG2 4.41Å; R36-I47 HydrophobicContact CG-CG2 3.97Å; R36-T48 CarbonylContact C-O 3.53Å; R36-T48 WeakPolarHBondContact CA-O 3.09Å; R36-A49 HydrophobicContact CG-CB 4.44Å; R36-N154 VanDerWaalsContact CZ-O 3.26Å; R36-N154 PolarHBondContact NH1-O 2.9Å; R36-N154 PolarHBondContact NH2-O 2.78Å; R36-H155 VanDerWaalsContact NH2-C 3.31Å; R36-H155 PolarHBondContact NH2-O 2.67Å; R36-Y156 PolarHBondContact NH1-O 3.38Å; R36-T167 PolarHBondContact N-O 3.1Å; R36-T168 PolarHBondContact NE-OG1 2.92Å; R36-T168 VanDerWaalsContact NE-OG1 3.15Å; R36-T168 VanDerWaalsContact NH2-CG2 3.29Å; R36-T168 PolarHBondContact NH2-OG1 3.15Å; R36-T168 CarbonylContact O-C 3.51Å; R36-T168 VanDerWaalsContact O-CA 3.25Å; R36-T168 WeakPolarHBondContact O-CA 3.4Å; R36-R169 PolarHBondContact O-N 3.01Å
37	T	98.3	Very high	95	Very high	58 Å²	58	26 Å²	26	36%	0.356	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.9	171.4	-58.4	0	0	0	0	108.7	I47 T48 R169	T37-I47 CarbonylContact O-C 3.57Å; T37-I47 WeakPolarHBondContact O-CA 3.25Å; T37-T48 PolarHBondContact N-O 3.46Å; T37-T48 PolarHBondContact O-N 2.82Å; T37-R169 CarbonylContact C-O 3.6Å; T37-R169 VanDerWaalsContact CA-O 3.29Å; T37-R169 WeakPolarHBondContact CA-O 3.26Å
38	V	98.3	Very high	96.6	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.012	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	101.1	174.4	-178.5	0	0	0	0	106.6	R36 L40 I47 F151 T168 R169 V170 R171	R36-V38 HydrophobicContact CG-CG2 4.41Å; V38-L40 HydrophobicContact CG1-CD1 4.32Å; V38-L40 HydrophobicContact CG1-CD2 3.62Å; V38-L40 HydrophobicContact CG1-CG 3.89Å; V38-I47 HydrophobicContact CG1-CG1 4.22Å; V38-I47 HydrophobicContact CG2-CG1 4.31Å; V38-I47 HydrophobicContact CG2-CG2 4.35Å; V38-F151 HydrophobicContact CG1-CE1 3.98Å; V38-F151 HydrophobicContact CG1-CZ 4.11Å; V38-T168 HydrophobicContact CG2-CG2 4.29Å; V38-R169 PolarHBondContact N-O 3.31Å; V38-V170 HydrophobicContact CB-CG2 4.35Å; V38-V170 CarbonylContact O-C 3.54Å; V38-V170 WeakPolarHBondContact O-CA 3.38Å; V38-R171 PolarHBondContact O-N 2.99Å
39	D	98.3	Very high	97.3	Very high	29 Å²	29	22.5 Å²	22.5	16%	0.155	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	113.6	178.2	-161.8	-23.8	0	0	0	110.1	S41 K46 R171	D39-S41 WeakPolarHBondContact OD1-CB 3.38Å; D39-S41 PolarHBondContact OD1-N 2.78Å; D39-S41 PolarHBondContact OD1-OG 3.44Å; D39-K46 HydrophobicContact CB-CB 4.37Å; D39-K46 PolarHBondContact N-O 3.36Å; D39-K46 PolarHBondContact O-N 3.33Å; D39-R171 WeakPolarHBondContact OD2-CD 3.39Å; D39-R171 IonicContact OD2-CZ 3.66Å; D39-R171 IonicContact OD2-NE 4Å; D39-R171 IonicContact OD2-NH1 3.19Å; D39-R171 PolarHBondContact OD2-NH1 2.95Å
40	L	98.2	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	24.1	179.1	-48	177.6	0	0	0	110.8	V38 T42 A45 L134 F151 V170 R171 L172 Y213	V38-L40 HydrophobicContact CG1-CD1 4.32Å; V38-L40 HydrophobicContact CG1-CD2 3.62Å; V38-L40 HydrophobicContact CG1-CG 3.89Å; L40-T42 VanDerWaalsContact C-N 3.27Å; L40-T42 PolarHBondContact O-N 3.14Å; L40-A45 HydrophobicContact CD2-CB 3.49Å; L40-A45 VanDerWaalsContact CD2-CB 3.49Å; L40-L134 HydrophobicContact CD2-CD2 4.3Å; L40-F151 HydrophobicContact CD1-CB 3.65Å; L40-F151 HydrophobicContact CD1-CD1 3.67Å; L40-F151 HydrophobicContact CD1-CD2 4.36Å; L40-F151 HydrophobicContact CD1-CE1 4.42Å; L40-F151 HydrophobicContact CD1-CG 3.62Å; L40-F151 HydrophobicContact CD2-CD1 4.26Å; L40-F151 HydrophobicContact CD2-CD2 3.8Å; L40-F151 HydrophobicContact CD2-CE1 4.46Å; L40-F151 HydrophobicContact CD2-CE2 4.03Å; L40-F151 HydrophobicContact CD2-CG 3.92Å; L40-F151 HydrophobicContact CD2-CZ 4.35Å; L40-F151 HydrophobicContact CG-CG 4.45Å; L40-V170 HydrophobicContact CD1-CG1 3.65Å; L40-V170 HydrophobicContact CG-CG1 4.17Å; L40-R171 WeakPolarHBondContact CA-O 3.39Å; L40-R171 WeakPolarHBondContact CB-O 3.46Å; L40-R171 PolarHBondContact N-O 3.31Å; L40-L172 HydrophobicContact CD1-CD2 4.32Å; L40-Y213 HydrophobicContact CB-CE1 4.38Å; L40-Y213 VanDerWaalsContact CB-OH 3.3Å; L40-Y213 WeakPolarHBondContact CB-OH 3.47Å; L40-Y213 HydrophobicContact CD1-CE1 4.31Å; L40-Y213 PolarHBondContact O-OH 2.93Å
41	S	97.1	Very high	97.6	Very high	25 Å²	25	25.8 Å²	25.8	18%	0.175	13%	0.131	C	C	.	.	S	Bend	trans	-71.2	-21.9	-179.4	57.8	0	0	0	0	113.5	D39 A173 T217	D39-S41 WeakPolarHBondContact OD1-CB 3.38Å; D39-S41 PolarHBondContact OD1-N 2.78Å; D39-S41 PolarHBondContact OD1-OG 3.44Å; S41-A173 VanDerWaalsContact O-CB 3.27Å; S41-A173 WeakPolarHBondContact O-CB 3.37Å; S41-T217 VanDerWaalsContact O-CG2 3.28Å; S41-T217 WeakPolarHBondContact O-CG2 3.37Å
42	T	97.1	Very high	97.6	Very high	22 Å²	22	27 Å²	27	14%	0.135	14%	0.138	C	C	.	.	S	Bend	trans	-111.9	-165.6	-178.9	70.7	0	0	0	0	110.4	L40 I44 L134 N215 D357	L40-T42 VanDerWaalsContact C-N 3.27Å; L40-T42 PolarHBondContact O-N 3.14Å; T42-I44 VanDerWaalsContact C-N 3.32Å; T42-I44 VanDerWaalsContact OG1-CG1 3.27Å; T42-I44 WeakPolarHBondContact OG1-CG1 3.48Å; T42-I44 PolarHBondContact OG1-N 2.66Å; T42-I44 PolarHBondContact OG1-O 3.19Å; T42-L134 WeakPolarHBondContact O-CD1 3.44Å; T42-N215 PolarHBondContact O-ND2 3Å; T42-D357 VanDerWaalsContact CG2-OD2 3.27Å; T42-D357 WeakPolarHBondContact CG2-OD2 3.46Å
43	H	96.3	Very high	97.5	Very high	11 Å²	11	25.1 Å²	25.1	5%	0.051	13%	0.129	C	C	.	.	S	Bend	trans	-83.1	-9.2	177.2	75.3	107.9	0	0	0	113.8	F219 L220 D357 V359	H43-F219 HydrophobicContact CB-CB 4.25Å; H43-F219 HydrophobicContact CB-CD1 3.76Å; H43-F219 HydrophobicContact CB-CD2 3.56Å; H43-F219 HydrophobicContact CB-CE1 3.89Å; H43-F219 HydrophobicContact CB-CE2 3.71Å; H43-F219 HydrophobicContact CB-CG 3.59Å; H43-F219 HydrophobicContact CB-CZ 3.87Å; H43-L220 PolarHBondContact CE1-O 3.47Å; H43-L220 PolarHBondContact ND1-O 3.05Å; H43-D357 PolarHBondContact NE2-O 3.31Å; H43-V359 VanDerWaalsContact CE1-CG2 3.41Å; H43-V359 WeakPolarHBondContact CE1-CG2 3.36Å
44	I	97.3	Very high	97.4	Very high	2 Å²	2	23 Å²	23	1%	0.01	12%	0.119	C	C	.	.	S	Bend	trans	-107.9	156.7	173.2	55.6	176.3	0	0	0	110.7	T42 K46 V129 D357 V359	T42-I44 VanDerWaalsContact C-N 3.32Å; T42-I44 VanDerWaalsContact OG1-CG1 3.27Å; T42-I44 WeakPolarHBondContact OG1-CG1 3.48Å; T42-I44 PolarHBondContact OG1-N 2.66Å; T42-I44 PolarHBondContact OG1-O 3.19Å; I44-K46 VanDerWaalsContact CD1-CE 3.41Å; I44-K46 HydrophobicContact CD1-CG 4.29Å; I44-K46 HydrophobicContact CG1-CG 4.42Å; I44-V129 HydrophobicContact CD1-CG1 3.97Å; I44-D357 HydrophobicContact CD1-CB 4.02Å; I44-D357 HydrophobicContact CG1-CB 4.36Å; I44-V359 HydrophobicContact CG2-CG2 3.24Å
45	A	97.9	Very high	97.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	119.2	172.1	0	0	0	0	0	109.9	L40 L130 I133 F151	L40-A45 HydrophobicContact CD2-CB 3.49Å; L40-A45 VanDerWaalsContact CD2-CB 3.49Å; A45-L130 HydrophobicContact CB-CB 4.26Å; A45-L130 HydrophobicContact CB-CD1 4.45Å; A45-L130 PolarHBondContact N-O 2.66Å; A45-L130 PolarHBondContact O-N 2.86Å; A45-I133 HydrophobicContact CB-CG2 3.58Å; A45-F151 HydrophobicContact CB-CD2 4.42Å; A45-F151 HydrophobicContact CB-CE2 3.94Å
46	K	98.3	Very high	97	Very high	48 Å²	48	23.3 Å²	23.3	21%	0.209	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	116.3	174.5	-57.2	-177.9	-173.3	-179.6	0	108.7	D39 I44 V129 D357	D39-K46 HydrophobicContact CB-CB 4.37Å; D39-K46 PolarHBondContact N-O 3.36Å; D39-K46 PolarHBondContact O-N 3.33Å; I44-K46 VanDerWaalsContact CD1-CE 3.41Å; I44-K46 HydrophobicContact CD1-CG 4.29Å; I44-K46 HydrophobicContact CG1-CG 4.42Å; K46-V129 HydrophobicContact CG-CG1 4.48Å; K46-V129 HydrophobicContact CG-CG2 4.42Å; K46-D357 WeakPolarHBondContact CE-OD1 3.37Å; K46-D357 IonicContact NZ-OD1 3.85Å; K46-D357 PolarHBondContact NZ-OD1 2.79Å
47	I	98.1	Very high	96.6	Very high	21 Å²	21	23.2 Å²	23.2	11%	0.108	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.4	179.9	-55.7	176.5	0	0	0	108.3	R36 T37 V38 L72 E127 T128 L130	R36-I47 HydrophobicContact CG-CG2 3.97Å; T37-I47 CarbonylContact O-C 3.57Å; T37-I47 WeakPolarHBondContact O-CA 3.25Å; V38-I47 HydrophobicContact CG1-CG1 4.22Å; V38-I47 HydrophobicContact CG2-CG1 4.31Å; V38-I47 HydrophobicContact CG2-CG2 4.35Å; I47-L72 HydrophobicContact CD1-CD1 4.36Å; I47-E127 CarbonylContact O-C 3.59Å; I47-E127 WeakPolarHBondContact O-CA 3.47Å; I47-T128 PolarHBondContact N-O 2.88Å; I47-T128 PolarHBondContact O-N 2.91Å; I47-L130 HydrophobicContact CD1-CD1 3.82Å
48	T	97.8	Very high	96.2	Very high	38 Å²	38	28.7 Å²	28.7	23%	0.233	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.1	174.8	-52.1	0	0	0	0	109.2	R36 T37 K125 V126	R36-T48 CarbonylContact C-O 3.53Å; R36-T48 WeakPolarHBondContact CA-O 3.09Å; T37-T48 PolarHBondContact N-O 3.46Å; T37-T48 PolarHBondContact O-N 2.82Å; T48-K125 HydrophobicContact CG2-CD 4.47Å; T48-K125 HydrophobicContact CG2-CG 3.98Å; T48-V126 CarbonylContact C-O 3.6Å; T48-V126 VanDerWaalsContact CA-O 3.26Å; T48-V126 WeakPolarHBondContact CA-O 3.5Å
49	A	97.6	Very high	95.9	Very high	4 Å²	4	32.4 Å²	32.4	3%	0.033	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	115.9	175.3	0	0	0	0	0	110.3	R36 I51 V126 L157	R36-A49 HydrophobicContact CG-CB 4.44Å; A49-I51 HydrophobicContact CB-CD1 4.42Å; A49-I51 HydrophobicContact CB-CG1 4.16Å; A49-V126 HydrophobicContact CB-CB 4.43Å; A49-V126 PolarHBondContact N-O 2.8Å; A49-V126 PolarHBondContact O-N 2.84Å; A49-L157 HydrophobicContact CB-CD1 4.26Å
50	E	97.3	Very high	95.5	Very high	77 Å²	77	33.3 Å²	33.3	36%	0.36	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	111.8	165.5	-65.9	-178.6	-165.3	0	0	109.1	V34 K35 R123	V34-E50 WeakPolarHBondContact CA-O 3.42Å; K35-E50 HydrophobicContact CB-CB 4.33Å; K35-E50 PolarHBondContact N-O 2.82Å; K35-E50 PolarHBondContact O-N 3.33Å; E50-R123 IonicContact OE2-NH1 2.67Å; E50-R123 PolarHBondContact OE2-NH1 2.65Å
51	I	97.1	Very high	95.3	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.036	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	118.2	-175.4	-52.4	173.7	0	0	0	108.5	N31 V34 A49 L53 R123 V124 V126 L157	N31-I51 HydrophobicContact CB-CG2 4.12Å; V34-I51 HydrophobicContact CG2-CG1 4.45Å; V34-I51 HydrophobicContact CG2-CG2 4.26Å; A49-I51 HydrophobicContact CB-CD1 4.42Å; A49-I51 HydrophobicContact CB-CG1 4.16Å; I51-L53 HydrophobicContact CG2-CD2 3.71Å; I51-L53 HydrophobicContact CG2-CG 3.87Å; I51-L53 PolarHBondContact O-N 3.05Å; I51-R123 WeakPolarHBondContact O-CA 3.42Å; I51-V124 PolarHBondContact N-O 3.04Å; I51-V124 PolarHBondContact O-N 2.92Å; I51-V126 HydrophobicContact CD1-CG2 3.97Å; I51-L157 HydrophobicContact CD1-CD2 3.82Å; I51-L157 HydrophobicContact CG1-CD2 4.16Å
52	L	96.8	Very high	95.1	Very high	28 Å²	28	37.7 Å²	37.7	15%	0.147	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	95.4	166.5	-174.5	63.8	0	0	0	108.6	E32 E33 K121 R123	E32-L52 HydrophobicContact CB-CD2 4.28Å; E32-L52 HydrophobicContact CB-CG 4.35Å; E32-L52 HydrophobicContact CG-CD2 4.47Å; E32-L52 PolarHBondContact N-O 3.44Å; E32-L52 WeakPolarHBondContact OE2-CD2 3.32Å; E33-L52 HydrophobicContact CB-CB 3.98Å; E33-L52 HydrophobicContact CB-CD2 4.28Å; E33-L52 PolarHBondContact O-N 3.11Å; L52-K121 HydrophobicContact CD1-CB 4.07Å; L52-K121 HydrophobicContact CD2-CD 4.5Å; L52-R123 HydrophobicContact CD1-CB 4.39Å
53	L	95.2	Very high	94.9	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	132	176.9	-68.8	171.9	0	0	0	110.1	N31 I51 F64 K121 L122 V124	N31-L53 VanDerWaalsContact OD1-CD2 3.27Å; N31-L53 WeakPolarHBondContact OD1-CD2 3.36Å; I51-L53 HydrophobicContact CG2-CD2 3.71Å; I51-L53 HydrophobicContact CG2-CG 3.87Å; I51-L53 PolarHBondContact O-N 3.05Å; L53-F64 HydrophobicContact CD1-CB 4.39Å; L53-F64 HydrophobicContact CD1-CD1 3.82Å; L53-F64 HydrophobicContact CD1-CD2 4.14Å; L53-F64 HydrophobicContact CD1-CE1 4.09Å; L53-F64 HydrophobicContact CD1-CE2 4.41Å; L53-F64 HydrophobicContact CD1-CG 3.85Å; L53-F64 HydrophobicContact CD1-CZ 4.39Å; L53-K121 CarbonylContact O-C 3.46Å; L53-K121 VanDerWaalsContact O-CA 3.23Å; L53-K121 WeakPolarHBondContact O-CA 3.39Å; L53-L122 PolarHBondContact N-O 3.48Å; L53-L122 PolarHBondContact O-N 2.85Å; L53-V124 HydrophobicContact CD1-CB 4.36Å; L53-V124 HydrophobicContact CD1-CG2 3.67Å
54	L	95.5	Very high	94.8	Very high	11 Å²	11	37.4 Å²	37.4	6%	0.058	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	130.1	174	170.8	63.1	0	0	0	109.3	V30 E32 Q56 K121	V30-L54 PolarHBondContact N-O 3.24Å; V30-L54 PolarHBondContact O-N 3.33Å; E32-L54 HydrophobicContact CB-CB 4.31Å; L54-Q56 HydrophobicContact CD2-CG 3.81Å; L54-Q56 HydrophobicContact CG-CG 3.79Å; L54-K121 HydrophobicContact CB-CG 4.41Å; L54-K121 HydrophobicContact CD1-CG 3.75Å
55	N	95.3	Very high	94.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	107.4	171.8	-175.6	2.5	0	0	0	110.7	L29 G57 S59 L116 A117 G119 A120	L29-N55 HydrophobicContact CD2-CB 4.07Å; N55-G57 PolarHBondContact OD1-N 2.81Å; N55-S59 PolarHBondContact ND2-O 3.21Å; N55-L116 HydrophobicContact CB-CD2 3.95Å; N55-L116 HydrophobicContact CB-CG 3.97Å; N55-L116 PolarHBondContact ND2-O 2.84Å; N55-A117 WeakPolarHBondContact CB-O 3.36Å; N55-G119 WeakPolarHBondContact O-CA 3.35Å; N55-G119 PolarHBondContact O-N 3.31Å; N55-A120 PolarHBondContact N-O 3.42Å
56	Q	92.1	Very high	94.6	Very high	94 Å²	94	40 Å²	40	44%	0.439	22%	0.221	S	C	.	.			trans	-104.5	11	172.2	-54.7	-165	-28.5	0	0	112.8	G28 V30 L54	G28-Q56 CarbonylContact O-C 3.57Å; G28-Q56 VanDerWaalsContact O-CA 3.32Å; G28-Q56 WeakPolarHBondContact O-CA 3.5Å; G28-Q56 WeakPolarHBondContact O-CB 3.32Å; G28-Q56 PolarHBondContact O-N 2.79Å; V30-Q56 HydrophobicContact CG2-CB 4.48Å; V30-Q56 HydrophobicContact CG2-CG 4.1Å; L54-Q56 HydrophobicContact CD2-CG 3.81Å; L54-Q56 HydrophobicContact CG-CG 3.79Å
57	G	88.9	Confident	94.5	Very high	10 Å²	10	38.2 Å²	38.2	10%	0.103	22%	0.215	C	C	.	.	S	Bend	trans	-80.8	179.2	178.6	0	0	0	0	0	112.8	G28 N55 S59 V118	G28-G57 PolarHBondContact O-N 2.63Å; N55-G57 PolarHBondContact OD1-N 2.81Å; G57-S59 VanDerWaalsContact C-N 3.34Å; G57-V118 WeakPolarHBondContact O-CG1 3.34Å; G57-V118 WeakPolarHBondContact O-CG2 3.38Å
58	D	89.4	Confident	94.3	Very high	172 Å²	172	37.4 Å²	37.4	92%	0.92	21%	0.211	S	C	*	.	S	Bend	trans	-84.9	-8.8	-178.7	-59.8	-43.6	0	0	0	113.3
59	S	91.4	Very high	94.1	Very high	80 Å²	80	36.7 Å²	36.7	56%	0.559	21%	0.205	S	C	*	.	S	Bend	trans	-139.4	158.5	-175.7	60.4	0	0	0	0	113	N55 G57	N55-S59 PolarHBondContact ND2-O 3.21Å; G57-S59 VanDerWaalsContact C-N 3.34Å
60	A	91.7	Very high	93.9	Very high	48 Å²	48	38.7 Å²	38.7	40%	0.397	22%	0.218	S	C	.	.			trans	-65.9	143.2	172.7	0	0	0	0	0	111.3	L116	A60-L116 WeakPolarHBondContact CA-O 3.13Å
61	V	92.4	Very high	93.6	Very high	10 Å²	10	42 Å²	42	6%	0.061	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136.2	-175.1	179.4	0	0	0	0	110.6	D27 L29 S63 S115 L116	D27-V61 HydrophobicContact CB-CG2 4.48Å; L29-V61 HydrophobicContact CD1-CG1 4.07Å; L29-V61 HydrophobicContact CD2-CB 4.46Å; L29-V61 HydrophobicContact CD2-CG2 4.38Å; V61-S63 WeakPolarHBondContact CG1-O 3.45Å; V61-S115 CarbonylContact O-C 3.5Å; V61-S115 WeakPolarHBondContact O-CA 3.31Å; V61-L116 PolarHBondContact N-O 2.88Å; V61-L116 PolarHBondContact O-N 3.27Å
62	H	93.3	Very high	93.5	Very high	107 Å²	107	41.9 Å²	41.9	50%	0.495	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-8.3	-178.3	-68.9	-86.1	0	0	0	114.3	Q111 L112 S115	H62-Q111 PolarHBondContact O-NE2 2.95Å; H62-L112 WeakPolarHBondContact O-CB 3.49Å; H62-L112 PolarHBondContact O-N 3.33Å; H62-S115 VanDerWaalsContact CE1-CB 3.42Å; H62-S115 WeakPolarHBondContact CE1-CB 3.47Å
63	S	94.1	Very high	93.4	Very high	22 Å²	22	41 Å²	41	15%	0.154	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	151.5	-175.1	60.2	0	0	0	0	110.9	V61 K109 V110	V61-S63 WeakPolarHBondContact CG1-O 3.45Å; S63-K109 WeakPolarHBondContact OG-CE 3.41Å; S63-V110 CarbonylContact C-O 3.57Å; S63-V110 WeakPolarHBondContact CA-O 3.33Å; S63-V110 WeakPolarHBondContact CB-O 3.28Å
64	F	94.1	Very high	93.4	Very high	5 Å²	5	46 Å²	46	2%	0.022	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	167.4	169.6	73.5	-81.5	0	0	0	110.2	L29 L53 L93 V110 L112 V124 Y161	L29-F64 HydrophobicContact CD1-CB 3.76Å; L53-F64 HydrophobicContact CD1-CB 4.39Å; L53-F64 HydrophobicContact CD1-CD1 3.82Å; L53-F64 HydrophobicContact CD1-CD2 4.14Å; L53-F64 HydrophobicContact CD1-CE1 4.09Å; L53-F64 HydrophobicContact CD1-CE2 4.41Å; L53-F64 HydrophobicContact CD1-CG 3.85Å; L53-F64 HydrophobicContact CD1-CZ 4.39Å; F64-L93 HydrophobicContact CE1-CD1 4.31Å; F64-V110 HydrophobicContact CD1-CB 3.89Å; F64-V110 HydrophobicContact CD1-CG1 4.32Å; F64-V110 HydrophobicContact CE1-CB 3.45Å; F64-V110 VanDerWaalsContact CE1-CB 3.45Å; F64-V110 HydrophobicContact CE1-CG1 3.51Å; F64-V110 HydrophobicContact CE1-CG2 4.02Å; F64-V110 HydrophobicContact CE2-CB 4.22Å; F64-V110 HydrophobicContact CE2-CG2 3.91Å; F64-V110 HydrophobicContact CG-CB 4.45Å; F64-V110 HydrophobicContact CZ-CB 3.62Å; F64-V110 HydrophobicContact CZ-CG1 3.78Å; F64-V110 HydrophobicContact CZ-CG2 3.62Å; F64-V110 PolarHBondContact N-O 2.85Å; F64-V110 PolarHBondContact O-N 2.92Å; F64-L112 HydrophobicContact CD1-CD2 3.68Å; F64-L112 HydrophobicContact CD1-CG 4.36Å; F64-L112 HydrophobicContact CE1-CD2 3.86Å; F64-V124 HydrophobicContact CE1-CG1 4.07Å; F64-V124 HydrophobicContact CE1-CG2 4.18Å; F64-V124 HydrophobicContact CZ-CB 4.42Å; F64-V124 HydrophobicContact CZ-CG1 3.76Å; F64-V124 HydrophobicContact CZ-CG2 4.49Å; F64-Y161 HydrophobicContact CB-CE2 4.2Å; F64-Y161 HydrophobicContact CD2-CE2 4.49Å
65	I	95.1	Very high	93.4	Very high	44 Å²	44	46.9 Å²	46.9	23%	0.226	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.3	-180	-57.5	172.1	0	0	0	109.6	T98 I100 F107 Y108 P160 Y161	I65-T98 HydrophobicContact CG2-CG2 4.5Å; I65-I100 HydrophobicContact CD1-CD1 4.39Å; I65-I100 HydrophobicContact CG2-CD1 4.09Å; I65-F107 HydrophobicContact CG2-CB 4.12Å; I65-F107 HydrophobicContact CG2-CD1 4.47Å; I65-Y108 CarbonylContact C-O 3.49Å; I65-Y108 WeakPolarHBondContact CA-O 3.5Å; I65-P160 HydrophobicContact CB-CG 4.11Å; I65-P160 HydrophobicContact CG2-CG 4.34Å; I65-Y161 PolarHBondContact N-OH 3Å; I65-Y161 WeakPolarHBondContact O-CE2 3.34Å
66	L	95.5	Very high	93.5	Very high	13 Å²	13	47.9 Å²	47.9	7%	0.068	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	142.3	165.5	-171	75.4	0	0	0	109.6	V79 F107 Y108 V110 V126	L66-V79 HydrophobicContact CD2-CG2 3.3Å; L66-F107 CarbonylContact O-C 3.57Å; L66-F107 VanDerWaalsContact O-CA 3.29Å; L66-F107 WeakPolarHBondContact O-CA 3.46Å; L66-Y108 PolarHBondContact N-O 2.65Å; L66-Y108 PolarHBondContact O-N 2.92Å; L66-V110 HydrophobicContact CB-CG2 4.11Å; L66-V126 HydrophobicContact CD1-CB 4.22Å; L66-V126 HydrophobicContact CD1-CG1 3.55Å; L66-V126 HydrophobicContact CD1-CG2 3.78Å; L66-V126 HydrophobicContact CD2-CG1 3.66Å; L66-V126 HydrophobicContact CG-CG1 4.25Å
67	A	95.3	Very high	93.8	Very high	10 Å²	10	44 Å²	44	8%	0.083	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	143.2	175	0	0	0	0	0	110.5	E106 F107 Y158	A67-E106 CarbonylContact C-O 3.58Å; A67-E106 WeakPolarHBondContact CA-O 3.38Å; A67-F107 HydrophobicContact CB-CD1 3.57Å; A67-F107 HydrophobicContact CB-CE1 3.62Å; A67-Y158 HydrophobicContact CB-CD1 3.67Å; A67-Y158 HydrophobicContact CB-CE1 4Å
68	V	95.1	Very high	94.1	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.03	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.2	170	179.5	0	0	0	0	107	L72 A73 L76 G105 E106 Y108	V68-L72 HydrophobicContact CG1-CB 4.4Å; V68-A73 HydrophobicContact CG1-CB 4.41Å; V68-L76 HydrophobicContact CG1-CD2 4.43Å; V68-L76 HydrophobicContact CG2-CD2 4.11Å; V68-G105 WeakPolarHBondContact O-CA 3.43Å; V68-E106 HydrophobicContact CB-CB 4.36Å; V68-E106 PolarHBondContact N-O 3.21Å; V68-E106 PolarHBondContact O-N 2.92Å; V68-Y108 HydrophobicContact CG2-CE2 4.28Å
69	E	93.3	Very high	94.5	Very high	22 Å²	22	39.2 Å²	39.2	10%	0.103	23%	0.225	C	C	.	.			trans	-60.7	150.4	-175.9	56.5	-103	-131.6	0	0	113.1	E71 L72 A73 N154 Y158	E69-E71 PolarHBondContact O-N 3.28Å; E69-E71 VanDerWaalsContact O-N 3.16Å; E69-L72 HydrophobicContact CG-CB 3.93Å; E69-L72 HydrophobicContact CG-CD1 3.78Å; E69-L72 HydrophobicContact CG-CG 3.56Å; E69-L72 PolarHBondContact O-N 3.15Å; E69-L72 VanDerWaalsContact O-N 3.1Å; E69-L72 WeakPolarHBondContact OE1-CD1 3.48Å; E69-A73 PolarHBondContact O-N 3.37Å; E69-N154 WeakPolarHBondContact OE1-CB 3.27Å; E69-Y158 HydrophobicContact CB-CD1 4Å; E69-Y158 HydrophobicContact CB-CD2 4.29Å; E69-Y158 HydrophobicContact CB-CE1 4.49Å; E69-Y158 HydrophobicContact CB-CG 3.88Å
70	P	92.6	Very high	94.7	Very high	47 Å²	47	35.7 Å²	35.7	31%	0.305	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-34.6	-176.9	-20.8	27.1	0	0	0	114.5	L72 P74	P70-L72 VanDerWaalsContact C-N 3.34Å; P70-P74 WeakPolarHBondContact O-CD 3.36Å
71	E	92.3	Very high	94.9	Very high	146 Å²	146	33.6 Å²	33.6	68%	0.682	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-28	-177.9	-63.5	-168.4	165.5	0	0	112.8	E69	E69-E71 PolarHBondContact O-N 3.28Å; E69-E71 VanDerWaalsContact O-N 3.16Å
72	L	94.4	Very high	95	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.021	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-23.5	-178.1	-57.1	-172.7	0	0	0	112.9	I47 V68 E69 P70 P74 N75 L76 L130 I133	I47-L72 HydrophobicContact CD1-CD1 4.36Å; V68-L72 HydrophobicContact CG1-CB 4.4Å; E69-L72 HydrophobicContact CG-CB 3.93Å; E69-L72 HydrophobicContact CG-CD1 3.78Å; E69-L72 HydrophobicContact CG-CG 3.56Å; E69-L72 PolarHBondContact O-N 3.15Å; E69-L72 VanDerWaalsContact O-N 3.1Å; E69-L72 WeakPolarHBondContact OE1-CD1 3.48Å; P70-L72 VanDerWaalsContact C-N 3.34Å; L72-P74 VanDerWaalsContact C-CD 3.43Å; L72-N75 PolarHBondContact O-N 3.05Å; L72-L76 PolarHBondContact O-N 3.07Å; L72-L130 HydrophobicContact CB-CD1 4.1Å; L72-L130 HydrophobicContact CB-CD2 4.23Å; L72-L130 HydrophobicContact CD1-CD1 3.69Å; L72-L130 HydrophobicContact CD2-CD1 4.19Å; L72-L130 HydrophobicContact CG-CD1 4.21Å; L72-I133 HydrophobicContact CD2-CD1 3.69Å; L72-I133 HydrophobicContact CD2-CG1 4.06Å
73	A	94.1	Very high	94.9	Very high	11 Å²	11	29.8 Å²	29.8	9%	0.091	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-50.4	-43.4	-178.9	0	0	0	0	0	114.3	V68 E69 N75 L76 E106	V68-A73 HydrophobicContact CG1-CB 4.41Å; E69-A73 PolarHBondContact O-N 3.37Å; A73-N75 PolarHBondContact O-N 2.86Å; A73-N75 VanDerWaalsContact O-N 3.08Å; A73-L76 VanDerWaalsContact O-CB 3.26Å; A73-L76 WeakPolarHBondContact O-CB 3.42Å; A73-L76 PolarHBondContact O-N 2.92Å; A73-L76 VanDerWaalsContact O-N 3.09Å; A73-E106 HydrophobicContact CB-CB 4.45Å; A73-E106 HydrophobicContact CB-CG 3.88Å
74	P	95.4	Very high	94.3	Very high	104 Å²	104	37.4 Å²	37.4	68%	0.675	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-62.7	-20	178.7	-23.4	34.9	0	0	0	114.7	P70 L72	P70-P74 WeakPolarHBondContact O-CD 3.36Å; L72-P74 VanDerWaalsContact C-CD 3.43Å
75	N	96.7	Very high	93	Very high	30 Å²	30	38.4 Å²	38.4	16%	0.16	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-103.2	3.2	-177.9	-75.1	100.5	0	0	0	112.4	L72 A73 A77 L130 S131 H132 I133	L72-N75 PolarHBondContact O-N 3.05Å; A73-N75 PolarHBondContact O-N 2.86Å; A73-N75 VanDerWaalsContact O-N 3.08Å; N75-A77 PolarHBondContact O-N 2.87Å; N75-L130 CarbonylContact O-C 3.54Å; N75-L130 VanDerWaalsContact O-CA 3.28Å; N75-L130 WeakPolarHBondContact O-CA 3.48Å; N75-S131 VanDerWaalsContact CB-O 3.29Å; N75-S131 WeakPolarHBondContact CB-O 3.19Å; N75-S131 PolarHBondContact ND2-O 2.87Å; N75-S131 PolarHBondContact O-N 2.8Å; N75-H132 PolarHBondContact ND2-O 2.87Å; N75-I133 HydrophobicContact CB-CB 4.5Å; N75-I133 HydrophobicContact CB-CD1 4.19Å
76	L	97.1	Very high	91.3	Very high	22 Å²	22	45.1 Å²	45.1	12%	0.115	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	114.8	-179	-177.1	64.7	0	0	0	111.1	V68 L72 A73 Y78 V79 E106 Y108 T128 L130 N410	V68-L76 HydrophobicContact CG1-CD2 4.43Å; V68-L76 HydrophobicContact CG2-CD2 4.11Å; L72-L76 PolarHBondContact O-N 3.07Å; A73-L76 VanDerWaalsContact O-CB 3.26Å; A73-L76 WeakPolarHBondContact O-CB 3.42Å; A73-L76 PolarHBondContact O-N 2.92Å; A73-L76 VanDerWaalsContact O-N 3.09Å; L76-Y78 WeakPolarHBondContact CD1-O 3.49Å; L76-V79 HydrophobicContact CD1-CB 4.39Å; L76-V79 HydrophobicContact CD2-CG1 4.5Å; L76-E106 VanDerWaalsContact CD2-OE2 3.28Å; L76-E106 WeakPolarHBondContact CD2-OE2 3.29Å; L76-Y108 HydrophobicContact CD2-CE2 4.1Å; L76-Y108 WeakPolarHBondContact CD2-OH 3.38Å; L76-T128 HydrophobicContact CD1-CG2 3.36Å; L76-L130 HydrophobicContact CB-CD2 4.31Å; L76-L130 HydrophobicContact CD1-CD2 3.99Å; L76-N410 VanDerWaalsContact C-ND2 3.32Å; L76-N410 PolarHBondContact O-ND2 2.79Å
77	A	97	Very high	89.4	Confident	13 Å²	13	52.4 Å²	52.4	11%	0.107	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-45.1	174.3	0	0	0	0	0	111.4	N75 V129 N410 V412 H415	N75-A77 PolarHBondContact O-N 2.87Å; A77-V129 PolarHBondContact N-O 3.09Å; A77-N410 VanDerWaalsContact CA-ND2 3.32Å; A77-N410 WeakPolarHBondContact CA-ND2 3.28Å; A77-N410 PolarHBondContact N-ND2 2.7Å; A77-V412 HydrophobicContact CB-CB 4.5Å; A77-V412 HydrophobicContact CB-CG1 3.62Å; A77-V412 HydrophobicContact CB-CG2 4.06Å; A77-H415 PolarHBondContact O-CE1 3.2Å
78	Y	96.9	Very high	87.5	Confident	55 Å²	55	61.8 Å²	61.8	22%	0.216	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	143.2	-177.2	174.7	-99.1	0	0	0	111.5	L76 E127 T128 V129 Q414	L76-Y78 WeakPolarHBondContact CD1-O 3.49Å; Y78-E127 HydrophobicContact CE1-CB 4.46Å; Y78-E127 HydrophobicContact CE1-CG 4.42Å; Y78-T128 CarbonylContact O-C 3.51Å; Y78-T128 WeakPolarHBondContact O-CA 3.34Å; Y78-V129 HydrophobicContact CD1-CG2 4.14Å; Y78-V129 PolarHBondContact N-O 3.13Å; Y78-V129 PolarHBondContact O-N 2.88Å; Y78-Q414 HydrophobicContact CD1-CB 3.96Å; Y78-Q414 HydrophobicContact CD1-CG 3.84Å; Y78-Q414 HydrophobicContact CD2-CB 3.77Å; Y78-Q414 HydrophobicContact CE1-CB 4.06Å; Y78-Q414 HydrophobicContact CE1-CG 3.88Å; Y78-Q414 HydrophobicContact CE2-CB 3.9Å; Y78-Q414 HydrophobicContact CG-CB 3.79Å; Y78-Q414 HydrophobicContact CG-CG 4.19Å
79	V	96.6	Very high	86	Confident	25 Å²	25	69.1 Å²	69.1	15%	0.152	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	129.3	169.8	62.5	0	0	0	0	109.3	L66 L76 L95 Y108 E127	L66-V79 HydrophobicContact CD2-CG2 3.3Å; L76-V79 HydrophobicContact CD1-CB 4.39Å; L76-V79 HydrophobicContact CD2-CG1 4.5Å; V79-L95 HydrophobicContact CG1-CD2 4.05Å; V79-L95 HydrophobicContact CG2-CD2 4.01Å; V79-Y108 HydrophobicContact CG1-CD1 4.25Å; V79-Y108 HydrophobicContact CG1-CD2 4.22Å; V79-Y108 HydrophobicContact CG1-CE1 3.92Å; V79-Y108 HydrophobicContact CG1-CE2 3.92Å; V79-Y108 HydrophobicContact CG1-CG 4.38Å; V79-Y108 HydrophobicContact CG2-CD2 4.46Å; V79-E127 WeakPolarHBondContact CA-O 3.37Å
80	G	95.5	Very high	85.3	Confident	6 Å²	6	71.2 Å²	71.2	6%	0.062	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	152.6	179.5	0	0	0	0	0	111.2	V126 E127	G80-V126 WeakPolarHBondContact O-CA 3.34Å; G80-E127 PolarHBondContact N-O 3.26Å; G80-E127 PolarHBondContact O-N 3.05Å
81	A	95.6	Very high	84.8	Confident	4 Å²	4	70.7 Å²	70.7	3%	0.033	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	140	172.9	0	0	0	0	0	109.6	L93 L95 V110 V124 K125 V126	A81-L93 HydrophobicContact CB-CB 4.28Å; A81-L93 HydrophobicContact CB-CD1 4.14Å; A81-L93 WeakPolarHBondContact O-CB 3.47Å; A81-L93 PolarHBondContact O-N 3.02Å; A81-L95 HydrophobicContact CB-CD1 4.1Å; A81-V110 HydrophobicContact CB-CG1 3.87Å; A81-V110 HydrophobicContact CB-CG2 4.45Å; A81-V124 HydrophobicContact CB-CG1 4.33Å; A81-K125 CarbonylContact C-O 3.56Å; A81-K125 VanDerWaalsContact CA-O 3.31Å; A81-K125 WeakPolarHBondContact CA-O 3.45Å; A81-V126 HydrophobicContact CB-CG2 4.47Å
82	S	94.7	Very high	84.7	Confident	16 Å²	16	70.6 Å²	70.6	11%	0.112	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	158.8	178.9	70.4	0	0	0	0	111.7	G91 K125	S82-G91 CarbonylContact C-O 3.5Å; S82-G91 WeakPolarHBondContact CA-O 3.48Å; S82-G91 WeakPolarHBondContact CB-O 3.37Å; S82-K125 PolarHBondContact N-O 2.78Å; S82-K125 PolarHBondContact O-N 3.39Å
83	V	92.4	Very high	84.5	Confident	21 Å²	21	70.9 Å²	70.9	13%	0.127	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	145	172.1	-178.6	0	0	0	0	107.3	G85 D90 G91 L93 L122 V124	V83-G85 PolarHBondContact O-N 3.36Å; V83-D90 CarbonylContact O-C 3.53Å; V83-G91 PolarHBondContact N-O 2.69Å; V83-G91 PolarHBondContact O-N 2.79Å; V83-L93 HydrophobicContact CG2-CD1 3.88Å; V83-L93 HydrophobicContact CG2-CD2 3.94Å; V83-L93 HydrophobicContact CG2-CG 4.19Å; V83-L122 HydrophobicContact CG1-CD1 3.85Å; V83-L122 HydrophobicContact CG2-CD2 4.48Å; V83-V124 HydrophobicContact CG2-CG2 4.25Å
84	K	81.4	Confident	84.4	Confident	182 Å²	182	75.6 Å²	75.6	79%	0.791	40%	0.397	S	S	*	.			trans	-57.3	116.8	174.7	-166.4	173.9	-176.1	178.3	0	109.7
85	G	66.1	Low	84.3	Confident	27 Å²	27	72.8 Å²	72.8	28%	0.278	38%	0.376	S	S	.	.			trans	-77.1	171.8	178.5	0	0	0	0	0	112.7	V83 E87	V83-G85 PolarHBondContact O-N 3.36Å; G85-E87 VanDerWaalsContact C-N 3.29Å
86	D	59.5	Low	84.2	Confident	184 Å²	184	77 Å²	77	98%	0.984	39%	0.393	S	S	*	.	S	Bend	trans	-77.7	-18.1	168.8	-69.6	-33.1	0	0	0	111.8
87	E	54.6	Low	83.9	Confident	167 Å²	167	82.1 Å²	82.1	78%	0.78	42%	0.416	S	S	*	.	S	Bend	trans	-95.6	172.6	174.7	-63.7	-176.6	172.2	0	0	111.3	G85 E89	G85-E87 VanDerWaalsContact C-N 3.29Å; E87-E89 PolarHBondContact O-N 2.75Å; E87-E89 VanDerWaalsContact O-N 3.11Å
88	E	56.6	Low	83.7	Confident	207 Å²	207	83.6 Å²	83.6	97%	0.967	42%	0.424	S	S	*	.	S	Bend	trans	-63.8	-11.6	177.5	-71.1	-174.1	166.1	0	0	113.4
89	E	63.8	Low	83.4	Confident	158 Å²	158	87.8 Å²	87.8	74%	0.738	45%	0.447	S	S	*	.	S	Bend	trans	-103.8	137.7	176.9	-65.7	-172.6	173.1	0	0	112.7	E87	E87-E89 PolarHBondContact O-N 2.75Å; E87-E89 VanDerWaalsContact O-N 3.11Å
90	D	79.1	Confident	83	Confident	66 Å²	66	87.1 Å²	87.1	35%	0.353	44%	0.442	S	S	.	.			trans	-69.2	136.3	176.1	-72.6	-26.8	0	0	0	110.7	V83 I92 K125	V83-D90 CarbonylContact O-C 3.53Å; D90-I92 PolarHBondContact O-N 3.34Å; D90-K125 IonicContact OD2-NZ 3.69Å
91	G	82.1	Confident	82.4	Confident	36 Å²	36	92.7 Å²	92.7	37%	0.371	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	114.2	175.2	0	0	0	0	0	111.6	S82 V83	S82-G91 CarbonylContact C-O 3.5Å; S82-G91 WeakPolarHBondContact CA-O 3.48Å; S82-G91 WeakPolarHBondContact CB-O 3.37Å; V83-G91 PolarHBondContact N-O 2.69Å; V83-G91 PolarHBondContact O-N 2.79Å
92	I	89.3	Confident	81.8	Confident	144 Å²	144	96.5 Å²	96.5	74%	0.738	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	134.6	178.8	-56.6	172.1	0	0	0	110.1	D90	D90-I92 PolarHBondContact O-N 3.34Å
93	L	91.2	Very high	81.5	Confident	11 Å²	11	99.2 Å²	99.2	6%	0.058	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-94.9	148.9	177.7	-56.5	-176.4	0	0	0	111.5	F64 A81 V83 L95 V110 P113 V124	F64-L93 HydrophobicContact CE1-CD1 4.31Å; A81-L93 HydrophobicContact CB-CB 4.28Å; A81-L93 HydrophobicContact CB-CD1 4.14Å; A81-L93 WeakPolarHBondContact O-CB 3.47Å; A81-L93 PolarHBondContact O-N 3.02Å; V83-L93 HydrophobicContact CG2-CD1 3.88Å; V83-L93 HydrophobicContact CG2-CD2 3.94Å; V83-L93 HydrophobicContact CG2-CG 4.19Å; L93-L95 WeakPolarHBondContact O-CD1 3.15Å; L93-V110 HydrophobicContact CB-CG1 3.56Å; L93-V110 HydrophobicContact CD1-CG1 3.46Å; L93-V110 VanDerWaalsContact CD1-CG1 3.46Å; L93-V110 HydrophobicContact CG-CG1 4.17Å; L93-P113 HydrophobicContact CD2-CG 3.55Å; L93-V124 HydrophobicContact CD1-CG1 4.05Å
94	E	91.2	Very high	81.3	Confident	109 Å²	109	102.2 Å²	102.2	51%	0.509	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-77.6	128.3	174.1	-169.1	-172.4	176.8	0	0	110.2	K96 V110 Q111	E94-K96 WeakPolarHBondContact OE1-CE 3.13Å; E94-K96 IonicContact OE1-NZ 3.84Å; E94-K96 PolarHBondContact OE1-NZ 3.43Å; E94-K96 IonicContact OE2-NZ 3.67Å; E94-V110 WeakPolarHBondContact O-CA 3.43Å; E94-Q111 HydrophobicContact CB-CB 4.39Å; E94-Q111 PolarHBondContact O-N 3.08Å
95	L	93.7	Very high	81.7	Confident	45 Å²	45	94.6 Å²	94.6	24%	0.236	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.1	177.1	-77.1	75.7	0	0	0	110.5	V79 A81 L93 Y108 V110	V79-L95 HydrophobicContact CG1-CD2 4.05Å; V79-L95 HydrophobicContact CG2-CD2 4.01Å; A81-L95 HydrophobicContact CB-CD1 4.1Å; L93-L95 WeakPolarHBondContact O-CD1 3.15Å; L95-Y108 HydrophobicContact CD2-CG 4.42Å; L95-V110 HydrophobicContact CD1-CG1 4.47Å; L95-V110 HydrophobicContact CG-CG2 4.19Å
96	K	92.9	Very high	83.1	Confident	119 Å²	119	95.9 Å²	95.9	52%	0.517	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.5	171.1	-69.7	-179.3	177.4	152.6	0	110.4	E94 T98 Y108 K109	E94-K96 WeakPolarHBondContact OE1-CE 3.13Å; E94-K96 IonicContact OE1-NZ 3.84Å; E94-K96 PolarHBondContact OE1-NZ 3.43Å; E94-K96 IonicContact OE2-NZ 3.67Å; K96-T98 PolarHBondContact O-N 2.77Å; K96-Y108 CarbonylContact O-C 3.57Å; K96-Y108 WeakPolarHBondContact O-CA 3.46Å; K96-K109 PolarHBondContact N-O 3.35Å; K96-K109 PolarHBondContact O-N 2.81Å
97	Q	92.1	Very high	84.8	Confident	130 Å²	130	87.1 Å²	87.1	61%	0.607	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.2	138.2	175.8	-164.1	176.6	12.6	0	0	110.3	F107 Y108	Q97-F107 CarbonylContact C-O 3.59Å; Q97-F107 WeakPolarHBondContact CA-O 3.11Å; Q97-Y108 HydrophobicContact CB-CD1 4.22Å; Q97-Y108 HydrophobicContact CB-CE1 4.15Å; Q97-Y108 HydrophobicContact CG-CD1 4.49Å; Q97-Y108 HydrophobicContact CG-CE1 4.16Å
98	T	93.1	Very high	86.7	Confident	43 Å²	43	80.6 Å²	80.6	26%	0.264	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	170.3	-179	-169.2	0	0	0	0	110.2	I65 K96 F107 K109	I65-T98 HydrophobicContact CG2-CG2 4.5Å; K96-T98 PolarHBondContact O-N 2.77Å; T98-F107 HydrophobicContact CG2-CB 3.76Å; T98-F107 PolarHBondContact N-O 3.07Å; T98-F107 WeakPolarHBondContact O-CB 3.06Å; T98-K109 HydrophobicContact CG2-CB 4.32Å
99	M	90.5	Very high	88.6	Confident	144 Å²	144	74 Å²	74	71%	0.709	40%	0.401	S	S	*	.			trans	-121.9	141.8	177.3	-63.2	-63.1	-73.1	0	0	110
100	I	87.2	Confident	90.1	Very high	10 Å²	10	66.5 Å²	66.5	5%	0.051	37%	0.365	C	S	.	.			trans	-110.4	124.2	173.2	-65.6	-174.7	0	0	0	108.8	V24 I65 G102 Q103 F107 P160 F204	V24-I100 HydrophobicContact CG2-CB 4.38Å; V24-I100 HydrophobicContact CG2-CD1 4.2Å; V24-I100 HydrophobicContact CG2-CG1 4.42Å; V24-I100 HydrophobicContact CG2-CG2 3.19Å; I65-I100 HydrophobicContact CD1-CD1 4.39Å; I65-I100 HydrophobicContact CG2-CD1 4.09Å; I100-G102 PolarHBondContact O-N 3.25Å; I100-Q103 HydrophobicContact CB-CB 4.17Å; I100-Q103 HydrophobicContact CG2-CB 3.81Å; I100-Q103 HydrophobicContact CG2-CG 3.68Å; I100-Q103 PolarHBondContact O-N 3.45Å; I100-F107 HydrophobicContact CB-CD2 4.04Å; I100-F107 HydrophobicContact CB-CE2 3.95Å; I100-F107 HydrophobicContact CB-CG 4.35Å; I100-F107 HydrophobicContact CB-CZ 4.2Å; I100-F107 HydrophobicContact CD1-CB 4.45Å; I100-F107 HydrophobicContact CD1-CD1 3.48Å; I100-F107 VanDerWaalsContact CD1-CD1 3.48Å; I100-F107 HydrophobicContact CD1-CD2 4.37Å; I100-F107 HydrophobicContact CD1-CE1 3.75Å; I100-F107 HydrophobicContact CD1-CG 3.83Å; I100-F107 HydrophobicContact CD1-CZ 4.28Å; I100-F107 HydrophobicContact CG1-CB 4.31Å; I100-F107 HydrophobicContact CG1-CD1 3.99Å; I100-F107 HydrophobicContact CG1-CD2 3.97Å; I100-F107 HydrophobicContact CG1-CE1 4.34Å; I100-F107 HydrophobicContact CG1-CE2 4.31Å; I100-F107 HydrophobicContact CG1-CG 3.8Å; I100-F107 HydrophobicContact CG1-CZ 4.48Å; I100-P160 HydrophobicContact CD1-CB 4.49Å; I100-F204 HydrophobicContact CD1-CZ 4.05Å
101	Q	82.8	Confident	90.8	Very high	124 Å²	124	67.2 Å²	67.2	58%	0.579	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	129.1	179.1	-71.6	-169.2	-14.4	0	0	111.8	C21 Q103	C21-Q101 PolarHBondContact SG-NE2 3.24Å; Q101-Q103 VanDerWaalsContact C-N 3.26Å; Q101-Q103 PolarHBondContact O-N 3.48Å
102	G	83.9	Confident	91.2	Very high	83 Å²	83	66 Å²	66	86%	0.856	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	5	176	0	0	0	0	0	115	I100	I100-G102 PolarHBondContact O-N 3.25Å
103	Q	88.2	Confident	91.2	Very high	74 Å²	74	63.8 Å²	63.8	35%	0.346	35%	0.347	S	S	.	.			trans	-116.7	145.9	174.9	-62.5	-64	-12.1	0	0	110.3	I100 Q101 F107 F204	I100-Q103 HydrophobicContact CB-CB 4.17Å; I100-Q103 HydrophobicContact CG2-CB 3.81Å; I100-Q103 HydrophobicContact CG2-CG 3.68Å; I100-Q103 PolarHBondContact O-N 3.45Å; Q101-Q103 VanDerWaalsContact C-N 3.26Å; Q101-Q103 PolarHBondContact O-N 3.48Å; Q103-F107 HydrophobicContact CB-CE2 4.29Å; Q103-F107 HydrophobicContact CB-CZ 3.73Å; Q103-F204 HydrophobicContact CB-CE1 4.48Å; Q103-F204 HydrophobicContact CB-CZ 4.44Å; Q103-F204 HydrophobicContact CG-CD2 4.38Å; Q103-F204 HydrophobicContact CG-CE1 4.17Å; Q103-F204 HydrophobicContact CG-CE2 3.9Å; Q103-F204 HydrophobicContact CG-CZ 3.76Å
104	S	88.3	Confident	91.2	Very high	83 Å²	83	67.4 Å²	67.4	58%	0.58	37%	0.373	S	S	*	.			trans	-103.6	158.5	176.8	-63.7	0	0	0	0	109.9	F107 Y158	S104-F107 WeakPolarHBondContact O-CZ 3.4Å; S104-Y158 PolarHBondContact O-OH 3.16Å; S104-Y158 VanDerWaalsContact O-OH 3.11Å
105	G	90.4	Very high	91.2	Very high	22 Å²	22	64.9 Å²	64.9	23%	0.227	37%	0.368	C	S	.	.	S	Bend	trans	111.6	-175.1	-175.1	0	0	0	0	0	111.3	V68 F107	V68-G105 WeakPolarHBondContact O-CA 3.43Å; G105-F107 WeakPolarHBondContact O-CE2 3.45Å
106	E	93.9	Very high	91.2	Very high	54 Å²	54	63.3 Å²	63.3	25%	0.252	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	137.5	177.3	-72.2	-175.1	-175.9	0	0	110.7	A67 V68 A73 L76 Y108	A67-E106 CarbonylContact C-O 3.58Å; A67-E106 WeakPolarHBondContact CA-O 3.38Å; V68-E106 HydrophobicContact CB-CB 4.36Å; V68-E106 PolarHBondContact N-O 3.21Å; V68-E106 PolarHBondContact O-N 2.92Å; A73-E106 HydrophobicContact CB-CB 4.45Å; A73-E106 HydrophobicContact CB-CG 3.88Å; L76-E106 VanDerWaalsContact CD2-OE2 3.28Å; L76-E106 WeakPolarHBondContact CD2-OE2 3.29Å; E106-Y108 HydrophobicContact CB-CE2 3.92Å; E106-Y108 PolarHBondContact OE2-OH 2.93Å
107	F	95.5	Very high	91.2	Very high	1 Å²	1	60.1 Å²	60.1	0%	0.004	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	139.5	-176.1	-51.5	-77.2	0	0	0	110.6	I65 L66 A67 Q97 T98 I100 Q103 S104 G105 Y158 F204	I65-F107 HydrophobicContact CG2-CB 4.12Å; I65-F107 HydrophobicContact CG2-CD1 4.47Å; L66-F107 CarbonylContact O-C 3.57Å; L66-F107 VanDerWaalsContact O-CA 3.29Å; L66-F107 WeakPolarHBondContact O-CA 3.46Å; A67-F107 HydrophobicContact CB-CD1 3.57Å; A67-F107 HydrophobicContact CB-CE1 3.62Å; Q97-F107 CarbonylContact C-O 3.59Å; Q97-F107 WeakPolarHBondContact CA-O 3.11Å; T98-F107 HydrophobicContact CG2-CB 3.76Å; T98-F107 PolarHBondContact N-O 3.07Å; T98-F107 WeakPolarHBondContact O-CB 3.06Å; I100-F107 HydrophobicContact CB-CD2 4.04Å; I100-F107 HydrophobicContact CB-CE2 3.95Å; I100-F107 HydrophobicContact CB-CG 4.35Å; I100-F107 HydrophobicContact CB-CZ 4.2Å; I100-F107 HydrophobicContact CD1-CB 4.45Å; I100-F107 HydrophobicContact CD1-CD1 3.48Å; I100-F107 VanDerWaalsContact CD1-CD1 3.48Å; I100-F107 HydrophobicContact CD1-CD2 4.37Å; I100-F107 HydrophobicContact CD1-CE1 3.75Å; I100-F107 HydrophobicContact CD1-CG 3.83Å; I100-F107 HydrophobicContact CD1-CZ 4.28Å; I100-F107 HydrophobicContact CG1-CB 4.31Å; I100-F107 HydrophobicContact CG1-CD1 3.99Å; I100-F107 HydrophobicContact CG1-CD2 3.97Å; I100-F107 HydrophobicContact CG1-CE1 4.34Å; I100-F107 HydrophobicContact CG1-CE2 4.31Å; I100-F107 HydrophobicContact CG1-CG 3.8Å; I100-F107 HydrophobicContact CG1-CZ 4.48Å; Q103-F107 HydrophobicContact CB-CE2 4.29Å; Q103-F107 HydrophobicContact CB-CZ 3.73Å; S104-F107 WeakPolarHBondContact O-CZ 3.4Å; G105-F107 WeakPolarHBondContact O-CE2 3.45Å; F107-Y158 HydrophobicContact CE1-CE1 4.31Å; F107-F204 AromaticContact CE1-CE1 3.94Å; F107-F204 HydrophobicContact CE1-CE1 3.94Å
108	Y	95.6	Very high	91.3	Very high	29 Å²	29	57.9 Å²	57.9	11%	0.114	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	121.9	-180	-58.8	-89.5	0	0	0	109.5	I65 L66 V68 L76 V79 L95 K96 Q97 E106 V110	I65-Y108 CarbonylContact C-O 3.49Å; I65-Y108 WeakPolarHBondContact CA-O 3.5Å; L66-Y108 PolarHBondContact N-O 2.65Å; L66-Y108 PolarHBondContact O-N 2.92Å; V68-Y108 HydrophobicContact CG2-CE2 4.28Å; L76-Y108 HydrophobicContact CD2-CE2 4.1Å; L76-Y108 WeakPolarHBondContact CD2-OH 3.38Å; V79-Y108 HydrophobicContact CG1-CD1 4.25Å; V79-Y108 HydrophobicContact CG1-CD2 4.22Å; V79-Y108 HydrophobicContact CG1-CE1 3.92Å; V79-Y108 HydrophobicContact CG1-CE2 3.92Å; V79-Y108 HydrophobicContact CG1-CG 4.38Å; V79-Y108 HydrophobicContact CG2-CD2 4.46Å; L95-Y108 HydrophobicContact CD2-CG 4.42Å; K96-Y108 CarbonylContact O-C 3.57Å; K96-Y108 WeakPolarHBondContact O-CA 3.46Å; Q97-Y108 HydrophobicContact CB-CD1 4.22Å; Q97-Y108 HydrophobicContact CB-CE1 4.15Å; Q97-Y108 HydrophobicContact CG-CD1 4.49Å; Q97-Y108 HydrophobicContact CG-CE1 4.16Å; E106-Y108 HydrophobicContact CB-CE2 3.92Å; E106-Y108 PolarHBondContact OE2-OH 2.93Å; Y108-V110 PolarHBondContact O-N 3.3Å
109	K	95.4	Very high	91.3	Very high	69 Å²	69	58.3 Å²	58.3	30%	0.3	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	116.5	168.8	-173.8	177	-176.2	176.8	0	108.2	S63 K96 T98	S63-K109 WeakPolarHBondContact OG-CE 3.41Å; K96-K109 PolarHBondContact N-O 3.35Å; K96-K109 PolarHBondContact O-N 2.81Å; T98-K109 HydrophobicContact CG2-CB 4.32Å
110	V	95.2	Very high	91.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	123.3	179.7	-170.7	0	0	0	0	108.7	S63 F64 L66 A81 L93 E94 L95 Y108	S63-V110 CarbonylContact C-O 3.57Å; S63-V110 WeakPolarHBondContact CA-O 3.33Å; S63-V110 WeakPolarHBondContact CB-O 3.28Å; F64-V110 HydrophobicContact CD1-CB 3.89Å; F64-V110 HydrophobicContact CD1-CG1 4.32Å; F64-V110 HydrophobicContact CE1-CB 3.45Å; F64-V110 VanDerWaalsContact CE1-CB 3.45Å; F64-V110 HydrophobicContact CE1-CG1 3.51Å; F64-V110 HydrophobicContact CE1-CG2 4.02Å; F64-V110 HydrophobicContact CE2-CB 4.22Å; F64-V110 HydrophobicContact CE2-CG2 3.91Å; F64-V110 HydrophobicContact CG-CB 4.45Å; F64-V110 HydrophobicContact CZ-CB 3.62Å; F64-V110 HydrophobicContact CZ-CG1 3.78Å; F64-V110 HydrophobicContact CZ-CG2 3.62Å; F64-V110 PolarHBondContact N-O 2.85Å; F64-V110 PolarHBondContact O-N 2.92Å; L66-V110 HydrophobicContact CB-CG2 4.11Å; A81-V110 HydrophobicContact CB-CG1 3.87Å; A81-V110 HydrophobicContact CB-CG2 4.45Å; L93-V110 HydrophobicContact CB-CG1 3.56Å; L93-V110 HydrophobicContact CD1-CG1 3.46Å; L93-V110 VanDerWaalsContact CD1-CG1 3.46Å; L93-V110 HydrophobicContact CG-CG1 4.17Å; E94-V110 WeakPolarHBondContact O-CA 3.43Å; L95-V110 HydrophobicContact CD1-CG1 4.47Å; L95-V110 HydrophobicContact CG-CG2 4.19Å; Y108-V110 PolarHBondContact O-N 3.3Å
111	Q	94.2	Very high	91.9	Very high	81 Å²	81	58 Å²	58	38%	0.379	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	127.5	178	-168.4	66.8	15.6	0	0	110.3	H62 E94	H62-Q111 PolarHBondContact O-NE2 2.95Å; E94-Q111 HydrophobicContact CB-CB 4.39Å; E94-Q111 PolarHBondContact O-N 3.08Å
112	L	91.8	Very high	92.4	Very high	10 Å²	10	54 Å²	54	5%	0.052	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	147.5	177.3	-62.2	178.4	0	0	0	110.7	H62 F64 S114 L116 L122	H62-L112 WeakPolarHBondContact O-CB 3.49Å; H62-L112 PolarHBondContact O-N 3.33Å; F64-L112 HydrophobicContact CD1-CD2 3.68Å; F64-L112 HydrophobicContact CD1-CG 4.36Å; F64-L112 HydrophobicContact CE1-CD2 3.86Å; L112-S114 VanDerWaalsContact C-N 3.28Å; L112-S114 WeakPolarHBondContact CB-O 3.32Å; L112-S114 PolarHBondContact O-N 2.71Å; L112-L116 HydrophobicContact CD1-CB 3.98Å; L112-L122 HydrophobicContact CD1-CD2 4.36Å; L112-L122 HydrophobicContact CD2-CD2 3.62Å; L112-L122 HydrophobicContact CG-CD2 4.5Å
113	P	89.2	Confident	93	Very high	98 Å²	98	54.5 Å²	54.5	64%	0.636	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.2	-36.4	179.3	-20.8	33.2	0	0	0	112.5	L93	L93-P113 HydrophobicContact CD2-CG 3.55Å
114	S	90.6	Very high	93.3	Very high	88 Å²	88	51 Å²	51	62%	0.615	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.5	157.9	175.6	62.2	0	0	0	0	110	L112 L116	L112-S114 VanDerWaalsContact C-N 3.28Å; L112-S114 WeakPolarHBondContact CB-O 3.32Å; L112-S114 PolarHBondContact O-N 2.71Å; S114-L116 PolarHBondContact O-N 3.05Å
115	S	91.4	Very high	93.7	Very high	56 Å²	56	50.9 Å²	50.9	39%	0.392	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	126.4	179.4	60.2	0	0	0	0	111.1	V61 H62 A117	V61-S115 CarbonylContact O-C 3.5Å; V61-S115 WeakPolarHBondContact O-CA 3.31Å; H62-S115 VanDerWaalsContact CE1-CB 3.42Å; H62-S115 WeakPolarHBondContact CE1-CB 3.47Å; S115-A117 PolarHBondContact O-N 3.3Å
116	L	92.8	Very high	94	Very high	12 Å²	12	50 Å²	50	6%	0.063	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	106.1	173.3	-172.1	62.1	0	0	0	109.6	L29 N55 A60 V61 L112 S114 A120 L122	L29-L116 HydrophobicContact CD2-CD2 4.23Å; N55-L116 HydrophobicContact CB-CD2 3.95Å; N55-L116 HydrophobicContact CB-CG 3.97Å; N55-L116 PolarHBondContact ND2-O 2.84Å; A60-L116 WeakPolarHBondContact CA-O 3.13Å; V61-L116 PolarHBondContact N-O 2.88Å; V61-L116 PolarHBondContact O-N 3.27Å; L112-L116 HydrophobicContact CD1-CB 3.98Å; S114-L116 PolarHBondContact O-N 3.05Å; L116-A120 HydrophobicContact CD1-CB 3.78Å; L116-A120 HydrophobicContact CG-CB 4.48Å; L116-L122 HydrophobicContact CD1-CB 3.86Å; L116-L122 HydrophobicContact CD2-CB 4.39Å
117	A	94.3	Very high	94.2	Very high	51 Å²	51	50 Å²	50	42%	0.421	29%	0.285	S	S	.	.			trans	-62.9	158.1	179.3	0	0	0	0	0	112.4	N55 S115 G119 A120	N55-A117 WeakPolarHBondContact CB-O 3.36Å; S115-A117 PolarHBondContact O-N 3.3Å; A117-G119 PolarHBondContact O-N 2.97Å; A117-A120 HydrophobicContact CB-CB 4.12Å; A117-A120 VanDerWaalsContact O-CB 3.23Å; A117-A120 WeakPolarHBondContact O-CB 3.35Å; A117-A120 PolarHBondContact O-N 2.91Å
118	V	93.8	Very high	94.3	Very high	84 Å²	84	50.7 Å²	50.7	51%	0.509	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	130.7	176.2	178.5	0	0	0	0	110	G57 A120	G57-V118 WeakPolarHBondContact O-CG1 3.34Å; G57-V118 WeakPolarHBondContact O-CG2 3.38Å; V118-A120 PolarHBondContact O-N 3.17Å
119	G	93.3	Very high	94.4	Very high	52 Å²	52	49.3 Å²	49.3	54%	0.536	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	-7.6	-175.6	0	0	0	0	0	115.1	N55 A117	N55-G119 WeakPolarHBondContact O-CA 3.35Å; N55-G119 PolarHBondContact O-N 3.31Å; A117-G119 PolarHBondContact O-N 2.97Å
120	A	94.4	Very high	94.6	Very high	35 Å²	35	46.1 Å²	46.1	29%	0.289	27%	0.27	S	S	.	.			trans	-79.6	156.6	178.2	0	0	0	0	0	111.9	N55 L116 A117 V118	N55-A120 PolarHBondContact N-O 3.42Å; L116-A120 HydrophobicContact CD1-CB 3.78Å; L116-A120 HydrophobicContact CG-CB 4.48Å; A117-A120 HydrophobicContact CB-CB 4.12Å; A117-A120 VanDerWaalsContact O-CB 3.23Å; A117-A120 WeakPolarHBondContact O-CB 3.35Å; A117-A120 PolarHBondContact O-N 2.91Å; V118-A120 PolarHBondContact O-N 3.17Å
121	K	94.6	Very high	94.7	Very high	112 Å²	112	46.2 Å²	46.2	49%	0.487	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.5	-178	-61.2	177.2	-176.3	-162.6	0	110.6	E32 L52 L53 L54	E32-K121 IonicContact OE1-NZ 3.92Å; E32-K121 PolarHBondContact OE1-NZ 3.03Å; E32-K121 WeakPolarHBondContact OE2-CD 3.44Å; E32-K121 WeakPolarHBondContact OE2-CE 3.26Å; E32-K121 IonicContact OE2-NZ 3.52Å; E32-K121 PolarHBondContact OE2-NZ 2.91Å; L52-K121 HydrophobicContact CD1-CB 4.07Å; L52-K121 HydrophobicContact CD2-CD 4.5Å; L53-K121 CarbonylContact O-C 3.46Å; L53-K121 VanDerWaalsContact O-CA 3.23Å; L53-K121 WeakPolarHBondContact O-CA 3.39Å; L54-K121 HydrophobicContact CB-CG 4.41Å; L54-K121 HydrophobicContact CD1-CG 3.75Å
122	L	94.7	Very high	94.8	Very high	40 Å²	40	45.5 Å²	45.5	21%	0.209	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	131.6	175.7	-178.3	66	0	0	0	109.7	L53 V83 L112 L116 V124	L53-L122 PolarHBondContact N-O 3.48Å; L53-L122 PolarHBondContact O-N 2.85Å; V83-L122 HydrophobicContact CG1-CD1 3.85Å; V83-L122 HydrophobicContact CG2-CD2 4.48Å; L112-L122 HydrophobicContact CD1-CD2 4.36Å; L112-L122 HydrophobicContact CD2-CD2 3.62Å; L112-L122 HydrophobicContact CG-CD2 4.5Å; L116-L122 HydrophobicContact CD1-CB 3.86Å; L116-L122 HydrophobicContact CD2-CB 4.39Å; L122-V124 HydrophobicContact CD2-CG2 3.95Å; L122-V124 HydrophobicContact CG-CG2 4.02Å
123	R	95.4	Very high	95	Very high	94 Å²	94	45.7 Å²	45.7	36%	0.355	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	117.7	173.1	-172.3	171.4	-67.6	-89.7	-8.6	108.9	E33 E50 I51 L52	E33-R123 IonicContact OE2-CZ 3.68Å; E33-R123 IonicContact OE2-NH1 3.7Å; E33-R123 IonicContact OE2-NH2 3.8Å; E33-R123 PolarHBondContact OE2-NH2 3.33Å; E50-R123 IonicContact OE2-NH1 2.67Å; E50-R123 PolarHBondContact OE2-NH1 2.65Å; I51-R123 WeakPolarHBondContact O-CA 3.42Å; L52-R123 HydrophobicContact CD1-CB 4.39Å
124	V	95.5	Very high	95.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	133.7	176.6	-175.3	0	0	0	0	108.5	I51 L53 F64 A81 V83 L93 L122 V126	I51-V124 PolarHBondContact N-O 3.04Å; I51-V124 PolarHBondContact O-N 2.92Å; L53-V124 HydrophobicContact CD1-CB 4.36Å; L53-V124 HydrophobicContact CD1-CG2 3.67Å; F64-V124 HydrophobicContact CE1-CG1 4.07Å; F64-V124 HydrophobicContact CE1-CG2 4.18Å; F64-V124 HydrophobicContact CZ-CB 4.42Å; F64-V124 HydrophobicContact CZ-CG1 3.76Å; F64-V124 HydrophobicContact CZ-CG2 4.49Å; A81-V124 HydrophobicContact CB-CG1 4.33Å; V83-V124 HydrophobicContact CG2-CG2 4.25Å; L93-V124 HydrophobicContact CD1-CG1 4.05Å; L122-V124 HydrophobicContact CD2-CG2 3.95Å; L122-V124 HydrophobicContact CG-CG2 4.02Å; V124-V126 HydrophobicContact CG1-CG2 4.37Å
125	K	96.5	Very high	95.7	Very high	81 Å²	81	44.9 Å²	44.9	35%	0.352	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	126.9	172.9	-178.7	-179.4	171	-168.1	0	108	T48 A81 S82 D90	T48-K125 HydrophobicContact CG2-CD 4.47Å; T48-K125 HydrophobicContact CG2-CG 3.98Å; A81-K125 CarbonylContact C-O 3.56Å; A81-K125 VanDerWaalsContact CA-O 3.31Å; A81-K125 WeakPolarHBondContact CA-O 3.45Å; S82-K125 PolarHBondContact N-O 2.78Å; S82-K125 PolarHBondContact O-N 3.39Å; D90-K125 IonicContact OD2-NZ 3.69Å
126	V	96.9	Very high	96	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.024	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.4	176.7	179.8	0	0	0	0	107.9	T48 A49 I51 L66 G80 A81 V124	T48-V126 CarbonylContact C-O 3.6Å; T48-V126 VanDerWaalsContact CA-O 3.26Å; T48-V126 WeakPolarHBondContact CA-O 3.5Å; A49-V126 HydrophobicContact CB-CB 4.43Å; A49-V126 PolarHBondContact N-O 2.8Å; A49-V126 PolarHBondContact O-N 2.84Å; I51-V126 HydrophobicContact CD1-CG2 3.97Å; L66-V126 HydrophobicContact CD1-CB 4.22Å; L66-V126 HydrophobicContact CD1-CG1 3.55Å; L66-V126 HydrophobicContact CD1-CG2 3.78Å; L66-V126 HydrophobicContact CD2-CG1 3.66Å; L66-V126 HydrophobicContact CG-CG1 4.25Å; G80-V126 WeakPolarHBondContact O-CA 3.34Å; A81-V126 HydrophobicContact CB-CG2 4.47Å; V124-V126 HydrophobicContact CG1-CG2 4.37Å
127	E	97.2	Very high	96.3	Very high	53 Å²	53	48.8 Å²	48.8	25%	0.248	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.3	172.8	-174.9	178.7	178	0	0	109.5	I47 Y78 V79 G80 V129 Q414	I47-E127 CarbonylContact O-C 3.59Å; I47-E127 WeakPolarHBondContact O-CA 3.47Å; Y78-E127 HydrophobicContact CE1-CB 4.46Å; Y78-E127 HydrophobicContact CE1-CG 4.42Å; V79-E127 WeakPolarHBondContact CA-O 3.37Å; G80-E127 PolarHBondContact N-O 3.26Å; G80-E127 PolarHBondContact O-N 3.05Å; E127-V129 HydrophobicContact CG-CG2 4.46Å; E127-Q414 PolarHBondContact OE1-NE2 2.99Å
128	T	97.6	Very high	96.4	Very high	16 Å²	16	49.3 Å²	49.3	10%	0.098	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	128.7	177.2	-54.9	0	0	0	0	108.2	I47 L76 Y78 L130	I47-T128 PolarHBondContact N-O 2.88Å; I47-T128 PolarHBondContact O-N 2.91Å; L76-T128 HydrophobicContact CD1-CG2 3.36Å; Y78-T128 CarbonylContact O-C 3.51Å; Y78-T128 WeakPolarHBondContact O-CA 3.34Å; T128-L130 HydrophobicContact CG2-CD2 4.05Å; T128-L130 HydrophobicContact CG2-CG 4.47Å
129	V	98.3	Very high	96.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.6	178.3	-174.4	0	0	0	0	109	I44 K46 A77 Y78 E127 V412	I44-V129 HydrophobicContact CD1-CG1 3.97Å; K46-V129 HydrophobicContact CG-CG1 4.48Å; K46-V129 HydrophobicContact CG-CG2 4.42Å; A77-V129 PolarHBondContact N-O 3.09Å; Y78-V129 HydrophobicContact CD1-CG2 4.14Å; Y78-V129 PolarHBondContact N-O 3.13Å; Y78-V129 PolarHBondContact O-N 2.88Å; E127-V129 HydrophobicContact CG-CG2 4.46Å; V129-V412 HydrophobicContact CB-CG2 4.41Å; V129-V412 HydrophobicContact CG1-CB 4.39Å; V129-V412 HydrophobicContact CG1-CG1 4.02Å; V129-V412 HydrophobicContact CG1-CG2 4.26Å
130	L	98.1	Very high	96.8	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	122.6	-179.7	-52.2	171.4	0	0	0	109.4	A45 I47 L72 N75 L76 T128 I133	A45-L130 HydrophobicContact CB-CB 4.26Å; A45-L130 HydrophobicContact CB-CD1 4.45Å; A45-L130 PolarHBondContact N-O 2.66Å; A45-L130 PolarHBondContact O-N 2.86Å; I47-L130 HydrophobicContact CD1-CD1 3.82Å; L72-L130 HydrophobicContact CB-CD1 4.1Å; L72-L130 HydrophobicContact CB-CD2 4.23Å; L72-L130 HydrophobicContact CD1-CD1 3.69Å; L72-L130 HydrophobicContact CD2-CD1 4.19Å; L72-L130 HydrophobicContact CG-CD1 4.21Å; N75-L130 CarbonylContact O-C 3.54Å; N75-L130 VanDerWaalsContact O-CA 3.28Å; N75-L130 WeakPolarHBondContact O-CA 3.48Å; L76-L130 HydrophobicContact CB-CD2 4.31Å; L76-L130 HydrophobicContact CD1-CD2 3.99Å; T128-L130 HydrophobicContact CG2-CD2 4.05Å; T128-L130 HydrophobicContact CG2-CG 4.47Å; L130-I133 HydrophobicContact CB-CB 4.26Å; L130-I133 HydrophobicContact CB-CG2 3.97Å
131	S	97.3	Very high	97	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.014	23%	0.233	C	C	.	.	S	Bend	trans	-92.1	155	173.3	63.9	0	0	0	0	110.2	N75 I133 N410	N75-S131 VanDerWaalsContact CB-O 3.29Å; N75-S131 WeakPolarHBondContact CB-O 3.19Å; N75-S131 PolarHBondContact ND2-O 2.87Å; N75-S131 PolarHBondContact O-N 2.8Å; S131-I133 PolarHBondContact O-N 2.85Å; S131-N410 WeakPolarHBondContact CB-OD1 3.29Å; S131-N410 PolarHBondContact OG-ND2 2.78Å; S131-N410 PolarHBondContact OG-OD1 2.9Å
132	H	97	Very high	97.1	Very high	67 Å²	67	46.6 Å²	46.6	31%	0.31	22%	0.224	S	C	.	.	S	Bend	trans	56.2	21.1	172.6	-57.7	-60.6	0	0	0	116.5	N75 T221 D361	N75-H132 PolarHBondContact ND2-O 2.87Å; H132-T221 VanDerWaalsContact CE1-CG2 3.45Å; H132-T221 WeakPolarHBondContact CE1-CG2 3.49Å; H132-T221 PolarHBondContact CE1-OG1 3.5Å; H132-D361 IonicContact CD2-OD1 3.57Å; H132-D361 IonicContact CE1-OD1 3.42Å; H132-D361 PolarHBondContact CE1-OD1 2.93Å; H132-D361 IonicContact NE2-OD1 3.67Å; H132-D361 PolarHBondContact NE2-OD1 2.83Å
133	I	96.8	Very high	97.1	Very high	14 Å²	14	45.6 Å²	45.6	7%	0.072	22%	0.218	C	C	.	.			trans	-91.1	-27	-177.3	-163.5	63.8	0	0	0	112.8	A45 L72 N75 L130 S131 R135 F151	A45-I133 HydrophobicContact CB-CG2 3.58Å; L72-I133 HydrophobicContact CD2-CD1 3.69Å; L72-I133 HydrophobicContact CD2-CG1 4.06Å; N75-I133 HydrophobicContact CB-CB 4.5Å; N75-I133 HydrophobicContact CB-CD1 4.19Å; L130-I133 HydrophobicContact CB-CB 4.26Å; L130-I133 HydrophobicContact CB-CG2 3.97Å; S131-I133 PolarHBondContact O-N 2.85Å; I133-R135 PolarHBondContact O-N 2.64Å; I133-F151 HydrophobicContact CG1-CD2 4.22Å; I133-F151 HydrophobicContact CG1-CE2 4Å; I133-F151 HydrophobicContact CG2-CD2 4.16Å; I133-F151 HydrophobicContact CG2-CE2 4.1Å
134	L	97.5	Very high	97	Very high	12 Å²	12	44 Å²	44	6%	0.063	23%	0.225	C	C	.	.			trans	-80.5	116.3	177.5	-64.7	-177.5	0	0	0	110.4	L40 T42 F151 F219	L40-L134 HydrophobicContact CD2-CD2 4.3Å; T42-L134 WeakPolarHBondContact O-CD1 3.44Å; L134-F151 HydrophobicContact CD2-CB 3.65Å; L134-F151 HydrophobicContact CD2-CD2 3.9Å; L134-F151 HydrophobicContact CD2-CG 4.19Å; L134-F219 HydrophobicContact CB-CE1 4.09Å; L134-F219 HydrophobicContact CB-CZ 4.37Å; L134-F219 HydrophobicContact CD1-CZ 4.15Å
135	R	97.1	Very high	97	Very high	156 Å²	156	48.4 Å²	48.4	59%	0.589	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	123.7	-176.9	-64.6	-174.7	-178.2	178.2	3.1	111.1	I133 F137 V149 V150	I133-R135 PolarHBondContact O-N 2.64Å; R135-F137 PolarHBondContact O-N 3Å; R135-V149 CarbonylContact O-C 3.57Å; R135-V149 WeakPolarHBondContact O-CA 3.44Å; R135-V150 PolarHBondContact N-O 3.38Å; R135-V150 PolarHBondContact O-N 3.03Å
136	P	97.8	Very high	96.9	Very high	25 Å²	25	50.4 Å²	50.4	16%	0.162	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	129.8	174	-21.5	31.8	0	0	0	112	P138 T139 L148 A250	P136-P138 CarbonylContact C-O 3.38Å; P136-T139 WeakPolarHBondContact O-CG2 3.39Å; P136-L148 WeakPolarHBondContact CA-O 3.32Å; P136-A250 HydrophobicContact CB-CB 3.84Å
137	F	97.6	Very high	97	Very high	125 Å²	125	50.2 Å²	50.2	55%	0.548	25%	0.25	S	C	.	.	S	Bend	trans	-145.4	99	177.8	-170.5	-105.6	0	0	0	109.4	R135 L148 V150 H212	R135-F137 PolarHBondContact O-N 3Å; F137-L148 PolarHBondContact N-O 3.33Å; F137-L148 WeakPolarHBondContact O-CB 3.26Å; F137-V150 HydrophobicContact CB-CG2 3.66Å; F137-V150 HydrophobicContact CD1-CG2 4.18Å; F137-V150 HydrophobicContact CG-CG2 4.16Å; F137-H212 AromaticContact CD1-CE1 3.61Å; F137-H212 AromaticContact CD1-NE2 3.74Å; F137-H212 PolarHBondContact O-NE2 2.87Å
138	P	97.5	Very high	97	Very high	62 Å²	62	49.2 Å²	49.2	40%	0.403	25%	0.246	S	C	.	.	S	Bend	cis	-71.6	155.7	12.5	30.8	-36.7	0	0	0	114	P136 H140 I141	P136-P138 CarbonylContact C-O 3.38Å; P138-H140 PolarHBondContact O-N 3.11Å; P138-I141 HydrophobicContact CG-CG2 3.91Å
139	T	97.6	Very high	97	Very high	80 Å²	80	48.4 Å²	48.4	49%	0.491	24%	0.241	S	C	.	.	S	Bend	trans	-74.4	-16.4	178.5	54.7	0	0	0	0	113.4	P136 F251	P136-T139 WeakPolarHBondContact O-CG2 3.39Å; T139-F251 PolarHBondContact O-N 3.41Å
140	H	98.2	Very high	97	Very high	94 Å²	94	49.1 Å²	49.1	44%	0.435	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	128.9	-177.3	-70	74.6	0	0	0	109.3	P138 F251 K253	P138-H140 PolarHBondContact O-N 3.11Å; H140-F251 CarbonylContact C-O 3.53Å; H140-F251 VanDerWaalsContact CA-O 3.26Å; H140-F251 WeakPolarHBondContact CA-O 3.27Å; H140-K253 HydrophobicContact CB-CB 4.17Å; H140-K253 HydrophobicContact CB-CD 4.41Å
141	I	97.6	Very high	97.1	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145.3	179.1	61	174.7	0	0	0	110.5	P138 E145 Q147 A250 F251 L252 K253	P138-I141 HydrophobicContact CG-CG2 3.91Å; I141-E145 VanDerWaalsContact CA-OE2 3.32Å; I141-E145 WeakPolarHBondContact CA-OE2 3.3Å; I141-E145 HydrophobicContact CB-CB 3.92Å; I141-E145 HydrophobicContact CG2-CB 4.37Å; I141-Q147 HydrophobicContact CD1-CB 4.13Å; I141-A250 HydrophobicContact CB-CB 4.29Å; I141-A250 HydrophobicContact CD1-CB 3.79Å; I141-A250 HydrophobicContact CG1-CB 3.66Å; I141-A250 HydrophobicContact CG2-CB 3.85Å; I141-F251 PolarHBondContact N-O 2.96Å; I141-L252 CarbonylContact O-C 3.59Å; I141-L252 WeakPolarHBondContact O-CA 3.16Å; I141-K253 PolarHBondContact O-N 2.82Å
142	T	96.4	Very high	97.1	Very high	49 Å²	49	53.5 Å²	53.5	30%	0.301	27%	0.265	S	S	.	.			trans	-72.1	167.1	171.1	69.9	0	0	0	0	110.9	A144 E145 K253	T142-A144 PolarHBondContact O-N 3.2Å; T142-A144 VanDerWaalsContact O-N 3.08Å; T142-E145 PolarHBondContact N-OE2 3.09Å; T142-E145 PolarHBondContact O-N 2.82Å; T142-E145 VanDerWaalsContact O-N 3.13Å; T142-E145 VanDerWaalsContact OG1-CG 3.32Å; T142-E145 WeakPolarHBondContact OG1-CG 3.28Å; T142-E145 PolarHBondContact OG1-OE2 3.34Å; T142-K253 WeakPolarHBondContact CA-O 3.29Å; T142-K253 HydrophobicContact CG2-CB 4.46Å
143	Q	94.8	Very high	97	Very high	19 Å²	19	50.6 Å²	50.6	9%	0.089	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-28.4	-179.3	-177.1	176.1	-39.4	0	0	114.2	L252 S257 S267 G268 F318	Q143-L252 HydrophobicContact CB-CD1 4.13Å; Q143-S257 PolarHBondContact NE2-O 3.16Å; Q143-S267 WeakPolarHBondContact CG-OG 3.27Å; Q143-S267 PolarHBondContact NE2-OG 3.37Å; Q143-G268 WeakPolarHBondContact O-CA 3.35Å; Q143-G268 PolarHBondContact O-N 3.06Å; Q143-F318 HydrophobicContact CB-CE1 4.47Å; Q143-F318 HydrophobicContact CG-CE1 3.95Å; Q143-F318 HydrophobicContact CG-CZ 3.95Å
144	A	93.7	Very high	97	Very high	61 Å²	61	50.4 Å²	50.4	50%	0.504	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-4.4	-177.2	0	0	0	0	0	113.9	T142	T142-A144 PolarHBondContact O-N 3.2Å; T142-A144 VanDerWaalsContact O-N 3.08Å
145	E	95	Very high	96.9	Very high	92 Å²	92	50 Å²	50	43%	0.43	25%	0.25	S	S	.	.	S	Bend	trans	-84.7	151.2	-179.4	-80.4	169.2	169.9	0	0	111.3	I141 T142	I141-E145 VanDerWaalsContact CA-OE2 3.32Å; I141-E145 WeakPolarHBondContact CA-OE2 3.3Å; I141-E145 HydrophobicContact CB-CB 3.92Å; I141-E145 HydrophobicContact CG2-CB 4.37Å; T142-E145 PolarHBondContact N-OE2 3.09Å; T142-E145 PolarHBondContact O-N 2.82Å; T142-E145 VanDerWaalsContact O-N 3.13Å; T142-E145 VanDerWaalsContact OG1-CG 3.32Å; T142-E145 WeakPolarHBondContact OG1-CG 3.28Å; T142-E145 PolarHBondContact OG1-OE2 3.34Å
146	R	95.8	Very high	96.8	Very high	123 Å²	123	44.8 Å²	44.8	46%	0.464	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-87.2	147.5	174.5	-71.9	164.4	175.1	-100.8	-1.8	110	E214 N216 I269	R146-E214 HydrophobicContact CB-CG 4.29Å; R146-E214 VanDerWaalsContact CD-OE1 3.25Å; R146-E214 WeakPolarHBondContact CD-OE1 3.42Å; R146-E214 IonicContact CZ-OE1 3.65Å; R146-E214 IonicContact NE-OE1 2.79Å; R146-E214 IonicContact NH1-OE1 3.74Å; R146-E214 PolarHBondContact NH1-OE1 2.78Å; R146-E214 IonicContact NH1-OE2 2.65Å; R146-N216 WeakPolarHBondContact CA-OD1 3.17Å; R146-I269 HydrophobicContact CG-CD1 4.1Å
147	Q	97.3	Very high	96.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-81.6	127.7	178	-178.9	175	-80.2	0	0	110.5	I141 V149 E214 N215 N216 F219 A250	I141-Q147 HydrophobicContact CD1-CB 4.13Å; Q147-V149 HydrophobicContact CG-CG1 4.04Å; Q147-E214 WeakPolarHBondContact O-CA 3.49Å; Q147-N215 WeakPolarHBondContact CB-O 3.49Å; Q147-N215 WeakPolarHBondContact CG-O 3.22Å; Q147-N215 PolarHBondContact NE2-O 3.01Å; Q147-N215 PolarHBondContact O-N 2.96Å; Q147-N216 PolarHBondContact N-OD1 3.08Å; Q147-F219 VanDerWaalsContact NE2-CD2 3.32Å; Q147-F219 VanDerWaalsContact NE2-CE2 3.27Å; Q147-A250 HydrophobicContact CG-CB 4.23Å
148	L	98.1	Very high	96.6	Very high	31 Å²	31	39.1 Å²	39.1	16%	0.162	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	141.1	169.9	-62.7	172.8	0	0	0	109	P136 F137 E178 Y213 E214	P136-L148 WeakPolarHBondContact CA-O 3.32Å; F137-L148 PolarHBondContact N-O 3.33Å; F137-L148 WeakPolarHBondContact O-CB 3.26Å; L148-E178 HydrophobicContact CD1-CG 3.87Å; L148-E178 HydrophobicContact CD2-CG 4.08Å; L148-Y213 CarbonylContact C-O 3.58Å; L148-Y213 VanDerWaalsContact CA-O 3.29Å; L148-Y213 WeakPolarHBondContact CA-O 3.48Å; L148-E214 HydrophobicContact CD2-CB 3.69Å; L148-E214 HydrophobicContact CD2-CG 4.3Å
149	V	98.4	Very high	96.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	153.4	-179.3	-57.3	0	0	0	0	111.3	R135 Q147 H212 Y213 N215 F219	R135-V149 CarbonylContact O-C 3.57Å; R135-V149 WeakPolarHBondContact O-CA 3.44Å; Q147-V149 HydrophobicContact CG-CG1 4.04Å; V149-H212 WeakPolarHBondContact O-CA 3.36Å; V149-H212 PolarHBondContact O-CD2 3.47Å; V149-Y213 HydrophobicContact CG2-CD1 4.09Å; V149-Y213 HydrophobicContact CG2-CE1 3.47Å; V149-Y213 VanDerWaalsContact CG2-CE1 3.47Å; V149-Y213 HydrophobicContact CG2-CE2 4.15Å; V149-Y213 VanDerWaalsContact CG2-CZ 3.49Å; V149-Y213 PolarHBondContact N-O 3.01Å; V149-Y213 PolarHBondContact O-N 3.1Å; V149-N215 HydrophobicContact CG1-CB 4.39Å; V149-N215 HydrophobicContact CG2-CB 3.7Å; V149-F219 HydrophobicContact CG1-CE1 4.05Å; V149-F219 HydrophobicContact CG1-CZ 3.83Å
150	V	98.4	Very high	96.3	Very high	14 Å²	14	32.9 Å²	32.9	9%	0.085	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	127.3	177.2	174.5	0	0	0	0	109	R135 F137 Q152 K210 V211 H212	R135-V150 PolarHBondContact N-O 3.38Å; R135-V150 PolarHBondContact O-N 3.03Å; F137-V150 HydrophobicContact CB-CG2 3.66Å; F137-V150 HydrophobicContact CD1-CG2 4.18Å; F137-V150 HydrophobicContact CG-CG2 4.16Å; V150-Q152 HydrophobicContact CG1-CG 4.04Å; V150-K210 HydrophobicContact CG1-CD 4.42Å; V150-K210 HydrophobicContact CG1-CG 4.05Å; V150-V211 WeakPolarHBondContact CA-O 3.42Å; V150-H212 HydrophobicContact CG2-CB 3.94Å
151	F	98.3	Very high	96.2	Very high	3 Å²	3	29 Å²	29	1%	0.013	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	138.8	165	177.7	-107.1	0	0	0	109.7	V38 L40 A45 I133 L134 L209 K210 V211	V38-F151 HydrophobicContact CG1-CE1 3.98Å; V38-F151 HydrophobicContact CG1-CZ 4.11Å; L40-F151 HydrophobicContact CD1-CB 3.65Å; L40-F151 HydrophobicContact CD1-CD1 3.67Å; L40-F151 HydrophobicContact CD1-CD2 4.36Å; L40-F151 HydrophobicContact CD1-CE1 4.42Å; L40-F151 HydrophobicContact CD1-CG 3.62Å; L40-F151 HydrophobicContact CD2-CD1 4.26Å; L40-F151 HydrophobicContact CD2-CD2 3.8Å; L40-F151 HydrophobicContact CD2-CE1 4.46Å; L40-F151 HydrophobicContact CD2-CE2 4.03Å; L40-F151 HydrophobicContact CD2-CG 3.92Å; L40-F151 HydrophobicContact CD2-CZ 4.35Å; L40-F151 HydrophobicContact CG-CG 4.45Å; A45-F151 HydrophobicContact CB-CD2 4.42Å; A45-F151 HydrophobicContact CB-CE2 3.94Å; I133-F151 HydrophobicContact CG1-CD2 4.22Å; I133-F151 HydrophobicContact CG1-CE2 4Å; I133-F151 HydrophobicContact CG2-CD2 4.16Å; I133-F151 HydrophobicContact CG2-CE2 4.1Å; L134-F151 HydrophobicContact CD2-CB 3.65Å; L134-F151 HydrophobicContact CD2-CD2 3.9Å; L134-F151 HydrophobicContact CD2-CG 4.19Å; F151-L209 HydrophobicContact CE1-CD2 4.23Å; F151-K210 WeakPolarHBondContact O-CA 3.42Å; F151-V211 PolarHBondContact N-O 3.26Å; F151-V211 PolarHBondContact O-N 3.46Å
152	Q	97.3	Very high	96.1	Very high	92 Å²	92	31 Å²	31	43%	0.43	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.9	173.1	-63.8	-178.5	-65.9	0	0	108.3	V150 L209 K210	V150-Q152 HydrophobicContact CG1-CG 4.04Å; Q152-L209 WeakPolarHBondContact CA-O 3.27Å; Q152-K210 HydrophobicContact CG-CG 4.26Å
153	G	96	Very high	96.1	Very high	6 Å²	6	28.8 Å²	28.8	6%	0.062	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	-157.8	177.3	0	0	0	0	0	110.7	L209	G153-L209 PolarHBondContact N-O 3.06Å; G153-L209 WeakPolarHBondContact O-CB 3.43Å; G153-L209 PolarHBondContact O-N 3.47Å
154	N	95.9	Very high	96.2	Very high	10 Å²	10	33.1 Å²	33.1	5%	0.053	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	139.9	-179	-170.9	0.4	0	0	0	112.3	R36 E69 Y156 S205 D207	R36-N154 VanDerWaalsContact CZ-O 3.26Å; R36-N154 PolarHBondContact NH1-O 2.9Å; R36-N154 PolarHBondContact NH2-O 2.78Å; E69-N154 WeakPolarHBondContact OE1-CB 3.27Å; N154-Y156 VanDerWaalsContact C-N 3.32Å; N154-Y156 VanDerWaalsContact CG-O 3.25Å; N154-Y156 PolarHBondContact ND2-O 3.42Å; N154-Y156 PolarHBondContact OD1-N 3.45Å; N154-S205 PolarHBondContact ND2-O 3.5Å; N154-D207 CarbonylContact C-O 3.56Å; N154-D207 WeakPolarHBondContact CA-O 3.49Å; N154-D207 PolarHBondContact OD1-N 2.98Å; N154-D207 PolarHBondContact OD1-O 2.71Å; N154-D207 VanDerWaalsContact OD1-O 3.08Å
155	H	96.2	Very high	96.4	Very high	3 Å²	3	32.1 Å²	32.1	1%	0.014	15%	0.152	C	C	.	.	S	Bend	trans	-67.4	-33.1	170.5	-73.6	103.4	0	0	0	112.4	R36 Q166 T181 L183 Y195 D207 A208 L209	R36-H155 VanDerWaalsContact NH2-C 3.31Å; R36-H155 PolarHBondContact NH2-O 2.67Å; H155-Q166 PolarHBondContact O-NE2 3.49Å; H155-T181 PolarHBondContact CE1-OG1 2.76Å; H155-T181 WeakPolarHBondContact NE2-CB 3.02Å; H155-T181 PolarHBondContact NE2-OG1 3.06Å; H155-L183 HydrophobicContact CB-CD2 3.78Å; H155-Y195 AromaticContact CD2-CD1 3.62Å; H155-Y195 AromaticContact CD2-CE1 3.63Å; H155-Y195 AromaticContact NE2-CD1 3.91Å; H155-Y195 AromaticContact NE2-CE1 3.45Å; H155-Y195 WeakPolarHBondContact NE2-CE1 3.44Å; H155-D207 HydrophobicContact CB-CB 4.42Å; H155-D207 IonicContact CE1-OD2 3.84Å; H155-D207 PolarHBondContact CE1-OD2 2.85Å; H155-D207 IonicContact CG-OD2 3.83Å; H155-D207 PolarHBondContact N-O 2.96Å; H155-D207 PolarHBondContact ND1-O 2.6Å; H155-D207 IonicContact ND1-OD2 3.6Å; H155-D207 PolarHBondContact ND1-OD2 3.08Å; H155-A208 PolarHBondContact CE1-O 2.88Å; H155-A208 PolarHBondContact ND1-O 3.23Å; H155-L209 VanDerWaalsContact CE1-CA 3.49Å; H155-L209 WeakPolarHBondContact CE1-CA 3.28Å; H155-L209 PolarHBondContact ND1-N 2.91Å
156	Y	95.9	Very high	96.5	Very high	47 Å²	47	27.8 Å²	27.8	18%	0.184	13%	0.132	C	C	.	.	S	Bend	trans	-95.9	154.5	-178.3	-55.8	-60.8	0	0	0	111.4	R36 N154 Y158 L183 F198 V201 D207	R36-Y156 PolarHBondContact NH1-O 3.38Å; N154-Y156 VanDerWaalsContact C-N 3.32Å; N154-Y156 VanDerWaalsContact CG-O 3.25Å; N154-Y156 PolarHBondContact ND2-O 3.42Å; N154-Y156 PolarHBondContact OD1-N 3.45Å; Y156-Y158 PolarHBondContact O-N 2.96Å; Y156-L183 HydrophobicContact CE1-CD2 4.45Å; Y156-L183 HydrophobicContact CE2-CD2 4.48Å; Y156-F198 HydrophobicContact CD1-CD2 4.1Å; Y156-F198 HydrophobicContact CD1-CG 4.29Å; Y156-F198 HydrophobicContact CE1-CB 4.1Å; Y156-F198 HydrophobicContact CE1-CD1 4.06Å; Y156-F198 AromaticContact CE1-CD2 3.99Å; Y156-F198 HydrophobicContact CE1-CD2 3.99Å; Y156-F198 HydrophobicContact CE1-CE1 4.48Å; Y156-F198 HydrophobicContact CE1-CE2 4.4Å; Y156-F198 AromaticContact CE1-CG 3.79Å; Y156-F198 HydrophobicContact CE1-CG 3.79Å; Y156-V201 HydrophobicContact CD1-CB 4.48Å; Y156-V201 HydrophobicContact CD1-CG1 3.76Å; Y156-V201 HydrophobicContact CD1-CG2 3.81Å; Y156-V201 HydrophobicContact CE1-CG1 4.37Å; Y156-V201 HydrophobicContact CE1-CG2 3.98Å; Y156-V201 HydrophobicContact CG-CG1 3.86Å; Y156-D207 HydrophobicContact CD2-CB 3.94Å; Y156-D207 HydrophobicContact CE2-CB 3.56Å
157	L	95.8	Very high	96.6	Very high	23 Å²	23	24.6 Å²	24.6	12%	0.12	13%	0.126	C	C	.	.			trans	-67.6	115.8	164.9	177.6	70.3	0	0	0	107.7	V34 A49 I51 S159	V34-L157 HydrophobicContact CB-CD2 4.5Å; V34-L157 HydrophobicContact CG1-CB 4.18Å; V34-L157 HydrophobicContact CG1-CD2 3.82Å; V34-L157 HydrophobicContact CG1-CG 4.5Å; V34-L157 HydrophobicContact CG2-CD2 3.85Å; A49-L157 HydrophobicContact CB-CD1 4.26Å; I51-L157 HydrophobicContact CD1-CD2 3.82Å; I51-L157 HydrophobicContact CG1-CD2 4.16Å; L157-S159 PolarHBondContact O-N 2.82Å
158	Y	95.4	Very high	96.6	Very high	8 Å²	8	24.7 Å²	24.7	3%	0.031	13%	0.127	C	C	.	.			trans	-70.7	103.3	174.5	-169.6	-108.1	0	0	0	109.1	A67 E69 S104 F107 Y156 F204 E206	A67-Y158 HydrophobicContact CB-CD1 3.67Å; A67-Y158 HydrophobicContact CB-CE1 4Å; E69-Y158 HydrophobicContact CB-CD1 4Å; E69-Y158 HydrophobicContact CB-CD2 4.29Å; E69-Y158 HydrophobicContact CB-CE1 4.49Å; E69-Y158 HydrophobicContact CB-CG 3.88Å; S104-Y158 PolarHBondContact O-OH 3.16Å; S104-Y158 VanDerWaalsContact O-OH 3.11Å; F107-Y158 HydrophobicContact CE1-CE1 4.31Å; Y156-Y158 PolarHBondContact O-N 2.96Å; Y158-F204 AromaticContact CE1-CD1 3.95Å; Y158-F204 HydrophobicContact CE1-CD1 3.95Å; Y158-F204 HydrophobicContact CE1-CE1 4.37Å; Y158-F204 HydrophobicContact CE2-CB 4Å; Y158-F204 AromaticContact CE2-CD1 3.92Å; Y158-F204 HydrophobicContact CE2-CD1 3.92Å; Y158-F204 HydrophobicContact CE2-CG 4.47Å; Y158-F204 AromaticContact CZ-CD1 3.58Å; Y158-E206 HydrophobicContact CD2-CG 3.84Å; Y158-E206 HydrophobicContact CE2-CG 3.79Å; Y158-E206 WeakPolarHBondContact CE2-OE1 3.18Å
159	S	94.9	Very high	96.6	Very high	9 Å²	9	29.4 Å²	29.4	6%	0.063	14%	0.142	C	C	.	.			trans	-145.2	149.6	-177.5	74.6	0	0	0	0	113	N31 L157 Y161 F204	N31-S159 PolarHBondContact ND2-OG 3.27Å; L157-S159 PolarHBondContact O-N 2.82Å; S159-Y161 PolarHBondContact O-N 2.95Å; S159-Y161 PolarHBondContact OG-O 2.84Å; S159-F204 PolarHBondContact O-N 3.2Å
160	P	93.8	Very high	96.6	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.019	14%	0.142	C	C	.	.	S	Bend	trans	-70.9	-7.4	175.8	29.7	-35	0	0	0	113.6	V24 I65 I100 F204	V24-P160 HydrophobicContact CG1-CB 4.41Å; I65-P160 HydrophobicContact CB-CG 4.11Å; I65-P160 HydrophobicContact CG2-CG 4.34Å; I100-P160 HydrophobicContact CD1-CB 4.49Å; P160-F204 HydrophobicContact CB-CE1 4.04Å; P160-F204 HydrophobicContact CB-CE2 3.94Å; P160-F204 HydrophobicContact CB-CZ 3.47Å; P160-F204 VanDerWaalsContact CB-CZ 3.47Å
161	Y	94.8	Very high	96.6	Very high	12 Å²	12	34.6 Å²	34.6	5%	0.047	16%	0.16	C	C	.	.	S	Bend	trans	-105.4	144.7	-176.4	-51	-62.4	0	0	0	110.8	A26 L29 F64 I65 S159	A26-Y161 HydrophobicContact CB-CD1 4.17Å; L29-Y161 HydrophobicContact CB-CD1 3.69Å; L29-Y161 HydrophobicContact CB-CE1 3.67Å; L29-Y161 HydrophobicContact CB-CG 4.27Å; L29-Y161 HydrophobicContact CD1-CE1 4Å; L29-Y161 HydrophobicContact CD1-CE2 4.49Å; L29-Y161 HydrophobicContact CG-CE1 4.4Å; L29-Y161 WeakPolarHBondContact O-CD1 3.41Å; F64-Y161 HydrophobicContact CB-CE2 4.2Å; F64-Y161 HydrophobicContact CD2-CE2 4.49Å; I65-Y161 PolarHBondContact N-OH 3Å; I65-Y161 WeakPolarHBondContact O-CE2 3.34Å; S159-Y161 PolarHBondContact O-N 2.95Å; S159-Y161 PolarHBondContact OG-O 2.84Å
162	P	95.8	Very high	96.6	Very high	45 Å²	45	34.5 Å²	34.5	29%	0.292	16%	0.16	S	C	.	.			trans	-66.2	142.9	171.8	28.6	-33.1	0	0	0	109.9	V30 N31 P203	V30-P162 HydrophobicContact CG1-CG 4.37Å; V30-P162 HydrophobicContact CG2-CG 4.13Å; N31-P162 PolarHBondContact N-O 2.93Å; P162-P203 HydrophobicContact CB-CG 4.26Å
163	T	96.8	Very high	96.5	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	118.7	-179	-59.2	0	0	0	0	110.9	N31 V34 Q166 D200 V201	N31-T163 HydrophobicContact CB-CG2 4.05Å; N31-T163 WeakPolarHBondContact CB-OG1 3.35Å; N31-T163 PolarHBondContact ND2-OG1 3.15Å; N31-T163 CarbonylContact O-C 3.58Å; N31-T163 WeakPolarHBondContact O-CA 3.28Å; V34-T163 HydrophobicContact CB-CG2 4.14Å; V34-T163 HydrophobicContact CG2-CG2 3.59Å; T163-Q166 HydrophobicContact CG2-CB 4.08Å; T163-D200 CarbonylContact O-C 3.57Å; T163-D200 WeakPolarHBondContact O-CA 3.47Å; T163-D200 PolarHBondContact O-N 2.93Å; T163-V201 PolarHBondContact N-O 2.82Å; T163-V201 PolarHBondContact O-N 3.35Å
164	R	96.6	Very high	96.5	Very high	110 Å²	110	32.1 Å²	32.1	42%	0.415	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	-42.3	-177.1	-71	-175.4	173.6	-155.7	-6.5	113	V30 N31 E32 R199 D200	V30-R164 HydrophobicContact CG1-CG 4.04Å; N31-R164 PolarHBondContact O-N 2.87Å; E32-R164 WeakPolarHBondContact O-CB 3.31Å; R164-R199 WeakPolarHBondContact O-CA 3.13Å; R164-D200 PolarHBondContact O-N 3.34Å
165	S	97.6	Very high	96.5	Very high	41 Å²	41	38.5 Å²	38.5	29%	0.287	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	126.8	-180	-176.8	0	0	0	0	110	E32 E33 V34 F198	E32-S165 PolarHBondContact O-N 3.14Å; E33-S165 CarbonylContact C-O 3.6Å; E33-S165 WeakPolarHBondContact CA-O 2.94Å; V34-S165 PolarHBondContact N-O 3.33Å; S165-F198 WeakPolarHBondContact CA-O 3.29Å
166	Q	97.4	Very high	96.6	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134	174.9	-179.6	-173.5	-37.1	0	0	110.9	V34 H155 T163 T168 P197 F198	V34-Q166 HydrophobicContact CB-CB 4.26Å; V34-Q166 HydrophobicContact CB-CG 4.11Å; V34-Q166 HydrophobicContact CG1-CG 4.09Å; V34-Q166 WeakPolarHBondContact O-CA 3.13Å; H155-Q166 PolarHBondContact O-NE2 3.49Å; T163-Q166 HydrophobicContact CG2-CB 4.08Å; Q166-T168 PolarHBondContact NE2-OG1 2.9Å; Q166-P197 CarbonylContact O-C 3.47Å; Q166-P197 WeakPolarHBondContact O-CA 3.34Å; Q166-F198 HydrophobicContact CB-CB 4.47Å; Q166-F198 PolarHBondContact N-O 3.03Å; Q166-F198 PolarHBondContact O-N 2.76Å
167	T	97.8	Very high	96.6	Very high	56 Å²	56	40.1 Å²	40.1	34%	0.344	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	144.2	162.2	55.8	0	0	0	0	109.8	V34 R36 P197	V34-T167 PolarHBondContact O-N 3.48Å; R36-T167 PolarHBondContact N-O 3.1Å; T167-P197 HydrophobicContact CG2-CB 4.04Å
168	T	97.7	Very high	96.7	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	123.3	174.9	-68.5	0	0	0	0	110.4	R36 V38 Q166 V170 E194 Y195	R36-T168 PolarHBondContact NE-OG1 2.92Å; R36-T168 VanDerWaalsContact NE-OG1 3.15Å; R36-T168 VanDerWaalsContact NH2-CG2 3.29Å; R36-T168 PolarHBondContact NH2-OG1 3.15Å; R36-T168 CarbonylContact O-C 3.51Å; R36-T168 VanDerWaalsContact O-CA 3.25Å; R36-T168 WeakPolarHBondContact O-CA 3.4Å; V38-T168 HydrophobicContact CG2-CG2 4.29Å; Q166-T168 PolarHBondContact NE2-OG1 2.9Å; T168-V170 HydrophobicContact CG2-CG2 4.23Å; T168-E194 WeakPolarHBondContact O-CA 3.27Å; T168-Y195 PolarHBondContact N-O 3.04Å; T168-Y195 PolarHBondContact O-N 3.48Å
169	R	97.9	Very high	96.8	Very high	130 Å²	130	46.8 Å²	46.8	49%	0.491	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.3	172.9	-175.1	174.2	-177.1	178.9	2.5	109.4	R36 T37 V38 A192 I193 E194	R36-R169 PolarHBondContact O-N 3.01Å; T37-R169 CarbonylContact C-O 3.6Å; T37-R169 VanDerWaalsContact CA-O 3.29Å; T37-R169 WeakPolarHBondContact CA-O 3.26Å; V38-R169 PolarHBondContact N-O 3.31Å; R169-A192 HydrophobicContact CG-CB 4.5Å; R169-I193 CarbonylContact C-O 3.54Å; R169-I193 WeakPolarHBondContact CA-O 3.41Å; R169-E194 HydrophobicContact CG-CG 4.43Å
170	V	98.4	Very high	96.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	119.2	172.8	-173.5	0	0	0	0	108.1	V38 L40 T168 L172 A192 I193 Y195 L209	V38-V170 HydrophobicContact CB-CG2 4.35Å; V38-V170 CarbonylContact O-C 3.54Å; V38-V170 WeakPolarHBondContact O-CA 3.38Å; L40-V170 HydrophobicContact CD1-CG1 3.65Å; L40-V170 HydrophobicContact CG-CG1 4.17Å; T168-V170 HydrophobicContact CG2-CG2 4.23Å; V170-L172 HydrophobicContact CG1-CD2 3.81Å; V170-A192 CarbonylContact O-C 3.57Å; V170-A192 VanDerWaalsContact O-CA 3.27Å; V170-A192 WeakPolarHBondContact O-CA 3.35Å; V170-I193 HydrophobicContact CB-CB 4.36Å; V170-I193 PolarHBondContact N-O 3.36Å; V170-I193 PolarHBondContact O-N 2.81Å; V170-Y195 HydrophobicContact CG2-CD2 4.16Å; V170-Y195 HydrophobicContact CG2-CE2 3.93Å; V170-L209 HydrophobicContact CG2-CD2 4.28Å
171	R	98.2	Very high	97.1	Very high	123 Å²	123	50.1 Å²	50.1	46%	0.464	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	135.9	174.7	-175.6	-176.1	179.5	-164.3	4	109.4	V38 D39 L40	V38-R171 PolarHBondContact O-N 2.99Å; D39-R171 WeakPolarHBondContact OD2-CD 3.39Å; D39-R171 IonicContact OD2-CZ 3.66Å; D39-R171 IonicContact OD2-NE 4Å; D39-R171 IonicContact OD2-NH1 3.19Å; D39-R171 PolarHBondContact OD2-NH1 2.95Å; L40-R171 WeakPolarHBondContact CA-O 3.39Å; L40-R171 WeakPolarHBondContact CB-O 3.46Å; L40-R171 PolarHBondContact N-O 3.31Å
172	L	98.1	Very high	97.1	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	162.7	-173.9	-53.5	179.7	0	0	0	110.7	L40 V170 S174 V177 E191 I193 V211 Y213	L40-L172 HydrophobicContact CD1-CD2 4.32Å; V170-L172 HydrophobicContact CG1-CD2 3.81Å; L172-S174 VanDerWaalsContact C-N 3.25Å; L172-S174 PolarHBondContact O-N 2.83Å; L172-V177 HydrophobicContact CD1-CG2 3.38Å; L172-E191 WeakPolarHBondContact CB-O 3.5Å; L172-E191 PolarHBondContact N-O 3.48Å; L172-I193 HydrophobicContact CD1-CD1 3.99Å; L172-I193 HydrophobicContact CD1-CG1 4.23Å; L172-V211 HydrophobicContact CD2-CG1 3.95Å; L172-Y213 HydrophobicContact CB-CD2 3.95Å; L172-Y213 HydrophobicContact CB-CE2 4.24Å; L172-Y213 HydrophobicContact CD1-CG 4.47Å; L172-Y213 HydrophobicContact CD2-CD1 4.12Å; L172-Y213 HydrophobicContact CD2-CD2 4.08Å; L172-Y213 HydrophobicContact CD2-CE1 4.32Å; L172-Y213 HydrophobicContact CD2-CE2 4.27Å; L172-Y213 HydrophobicContact CD2-CG 4.02Å; L172-Y213 HydrophobicContact CG-CD2 4.44Å
173	A	96.4	Very high	97.1	Very high	28 Å²	28	55.7 Å²	55.7	23%	0.231	27%	0.271	C	S	.	.	S	Bend	trans	-74.4	-17.8	176.1	0	0	0	0	0	113.1	S41 Y213 N215 T217	S41-A173 VanDerWaalsContact O-CB 3.27Å; S41-A173 WeakPolarHBondContact O-CB 3.37Å; A173-Y213 HydrophobicContact CB-CE2 4.01Å; A173-N215 HydrophobicContact CB-CB 3.89Å; A173-N215 VanDerWaalsContact CB-CG 3.43Å; A173-N215 WeakPolarHBondContact CB-OD1 3.33Å; A173-T217 HydrophobicContact CB-CG2 4.49Å
174	S	95.7	Very high	96.7	Very high	19 Å²	19	58 Å²	58	13%	0.133	30%	0.296	C	S	.	.	S	Bend	trans	-158.5	166.3	-179.9	76.4	0	0	0	0	111.5	L172 T176 E214	L172-S174 VanDerWaalsContact C-N 3.25Å; L172-S174 PolarHBondContact O-N 2.83Å; S174-T176 PolarHBondContact O-N 2.94Å; S174-T176 PolarHBondContact OG-N 2.84Å; S174-E214 WeakPolarHBondContact OG-CB 3.36Å; S174-E214 PolarHBondContact OG-O 2.89Å
175	K	96.5	Very high	96.5	Very high	145 Å²	145	60.1 Å²	60.1	63%	0.63	32%	0.315	S	S	*	.	S	Bend	trans	-74.1	-12.4	174.5	65.8	-175.8	178	-175.1	0	113.9	V177 K188 D190 E191	K175-V177 PolarHBondContact O-N 2.85Å; K175-K188 WeakPolarHBondContact O-CE 3.25Å; K175-K188 PolarHBondContact O-NZ 3.38Å; K175-D190 WeakPolarHBondContact CA-O 3.29Å; K175-E191 HydrophobicContact CB-CG 4.42Å
176	T	96.4	Very high	96.4	Very high	56 Å²	56	59 Å²	59	34%	0.344	31%	0.306	S	S	.	.			trans	-81.5	113.4	-177.6	-47.4	0	0	0	0	109.3	S174 E214	S174-T176 PolarHBondContact O-N 2.94Å; S174-T176 PolarHBondContact OG-N 2.84Å; T176-E214 WeakPolarHBondContact CB-OE2 3.41Å; T176-E214 HydrophobicContact CG2-CB 4.16Å; T176-E214 WeakPolarHBondContact CG2-OE2 3.45Å; T176-E214 PolarHBondContact O-N 3.11Å; T176-E214 PolarHBondContact OG1-OE2 2.8Å
177	V	97.2	Very high	96.3	Very high	27 Å²	27	61.9 Å²	61.9	16%	0.164	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	122.7	-178.3	-175.4	0	0	0	0	108.1	L172 K175 Y180 K188 H212	L172-V177 HydrophobicContact CD1-CG2 3.38Å; K175-V177 PolarHBondContact O-N 2.85Å; V177-Y180 HydrophobicContact CG1-CD1 3.72Å; V177-Y180 HydrophobicContact CG1-CE1 4.46Å; V177-K188 HydrophobicContact CG2-CD 4.47Å; V177-H212 WeakPolarHBondContact CG1-O 3.37Å
178	E	96.9	Very high	96.1	Very high	113 Å²	113	63.3 Å²	63.3	53%	0.528	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-49.9	177.6	-71.2	-62.8	152.5	0	0	110.7	L148 H212	L148-E178 HydrophobicContact CD1-CG 3.87Å; L148-E178 HydrophobicContact CD2-CG 4.08Å; E178-H212 HydrophobicContact CB-CB 4.22Å; E178-H212 WeakPolarHBondContact CB-ND1 3.24Å; E178-H212 PolarHBondContact N-O 2.89Å
179	S	97.3	Very high	95.9	Very high	59 Å²	59	66.7 Å²	66.7	41%	0.413	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	152.6	177.7	61.1	0	0	0	0	112.1	H212	S179-H212 PolarHBondContact N-O 2.82Å; S179-H212 PolarHBondContact O-N 2.94Å
180	Y	97.5	Very high	95.7	Very high	44 Å²	44	66.4 Å²	66.4	17%	0.173	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	150.9	172.1	61.9	-80.6	0	0	0	109.8	V177 K182 P186 K188 I193 K210	V177-Y180 HydrophobicContact CG1-CD1 3.72Å; V177-Y180 HydrophobicContact CG1-CE1 4.46Å; Y180-K182 HydrophobicContact CD2-CD 4.23Å; Y180-K182 HydrophobicContact CE2-CD 4.01Å; Y180-K182 VanDerWaalsContact CE2-NZ 3.28Å; Y180-K182 WeakPolarHBondContact O-CE 3.28Å; Y180-K182 PolarHBondContact OH-NZ 3.48Å; Y180-P186 HydrophobicContact CD2-CG 4.19Å; Y180-P186 HydrophobicContact CE2-CB 4.3Å; Y180-P186 HydrophobicContact CE2-CG 3.79Å; Y180-K188 HydrophobicContact CE1-CD 4.31Å; Y180-I193 HydrophobicContact CD1-CD1 4.12Å; Y180-I193 HydrophobicContact CD2-CD1 3.96Å; Y180-I193 HydrophobicContact CD2-CG2 3.83Å; Y180-I193 HydrophobicContact CE2-CD1 4.45Å; Y180-I193 HydrophobicContact CE2-CG2 3.81Å; Y180-I193 HydrophobicContact CG-CD1 3.74Å; Y180-K210 VanDerWaalsContact CA-O 3.31Å; Y180-K210 WeakPolarHBondContact CA-O 3.43Å
181	T	97.3	Very high	95.5	Very high	37 Å²	37	70.7 Å²	70.7	23%	0.227	38%	0.38	C	S	.	.			trans	-62.2	150.2	178.1	44.8	0	0	0	0	111.6	H155 Y195 L209 K210	H155-T181 PolarHBondContact CE1-OG1 2.76Å; H155-T181 WeakPolarHBondContact NE2-CB 3.02Å; H155-T181 PolarHBondContact NE2-OG1 3.06Å; T181-Y195 WeakPolarHBondContact O-CE1 3.33Å; T181-Y195 PolarHBondContact O-OH 2.95Å; T181-Y195 VanDerWaalsContact O-OH 3.07Å; T181-Y195 PolarHBondContact OG1-OH 3.43Å; T181-L209 WeakPolarHBondContact OG1-CD1 3.34Å; T181-K210 HydrophobicContact CG2-CB 3.98Å; T181-K210 PolarHBondContact N-O 2.85Å; T181-K210 VanDerWaalsContact N-O 3.11Å; T181-K210 PolarHBondContact OG1-N 2.88Å
182	K	95.8	Very high	95.5	Very high	122 Å²	122	65.2 Å²	65.2	53%	0.53	36%	0.361	S	S	.	.			trans	-114.5	21.1	-168.7	-58.2	-63.5	-178.3	172.4	0	114	Y180 G184 N185 P186	Y180-K182 HydrophobicContact CD2-CD 4.23Å; Y180-K182 HydrophobicContact CE2-CD 4.01Å; Y180-K182 VanDerWaalsContact CE2-NZ 3.28Å; Y180-K182 WeakPolarHBondContact O-CE 3.28Å; Y180-K182 PolarHBondContact OH-NZ 3.48Å; K182-G184 PolarHBondContact O-N 2.75Å; K182-N185 PolarHBondContact O-N 3.27Å; K182-P186 VanDerWaalsContact C-CD 3.49Å; K182-P186 HydrophobicContact CD-CG 4.28Å; K182-P186 WeakPolarHBondContact O-CD 3.37Å
183	L	94.8	Very high	95.5	Very high	53 Å²	53	65.1 Å²	65.1	28%	0.277	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	123.9	-179.9	-175.8	72.3	0	0	0	110.8	H155 Y156 F198	H155-L183 HydrophobicContact CB-CD2 3.78Å; Y156-L183 HydrophobicContact CE1-CD2 4.45Å; Y156-L183 HydrophobicContact CE2-CD2 4.48Å; L183-F198 HydrophobicContact CD2-CE1 3.87Å; L183-F198 HydrophobicContact CD2-CZ 3.94Å; L183-F198 HydrophobicContact CG-CE1 4Å; L183-F198 HydrophobicContact CG-CZ 4.36Å
184	G	89.4	Confident	95.5	Very high	52 Å²	52	68.4 Å²	68.4	54%	0.536	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	22.6	176.5	0	0	0	0	0	115.2	K182	K182-G184 PolarHBondContact O-N 2.75Å
185	N	92.2	Very high	95.6	Very high	154 Å²	154	67.6 Å²	67.6	82%	0.824	37%	0.365	S	S	*	.			trans	53.2	61.7	-179.4	-63	-39	0	0	0	113.3	K182	K182-N185 PolarHBondContact O-N 3.27Å
186	P	95.4	Very high	95.4	Very high	16 Å²	16	62 Å²	62	10%	0.104	35%	0.349	C	S	.	.			trans	-63	142.1	-175.2	26.2	-34.6	0	0	0	112.4	Y180 K182 I193 E194 Y195	Y180-P186 HydrophobicContact CD2-CG 4.19Å; Y180-P186 HydrophobicContact CE2-CB 4.3Å; Y180-P186 HydrophobicContact CE2-CG 3.79Å; K182-P186 VanDerWaalsContact C-CD 3.49Å; K182-P186 HydrophobicContact CD-CG 4.28Å; K182-P186 WeakPolarHBondContact O-CD 3.37Å; P186-I193 HydrophobicContact CB-CG2 4.08Å; P186-E194 CarbonylContact C-O 3.57Å; P186-E194 WeakPolarHBondContact CA-O 3.41Å; P186-E194 WeakPolarHBondContact CB-O 3.44Å; P186-Y195 HydrophobicContact CB-CD1 3.69Å; P186-Y195 HydrophobicContact CB-CE1 3.77Å; P186-Y195 HydrophobicContact CB-CG 4.08Å; P186-Y195 HydrophobicContact CG-CD1 4.06Å; P186-Y195 HydrophobicContact CG-CE1 3.74Å
187	S	95.4	Very high	95.3	Very high	61 Å²	61	63.3 Å²	63.3	43%	0.427	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	141.5	172.9	68.6	0	0	0	0	109.7	I193 E194	S187-I193 CarbonylContact O-C 3.59Å; S187-I193 WeakPolarHBondContact O-CA 3.33Å; S187-E194 PolarHBondContact N-O 2.59Å; S187-E194 PolarHBondContact O-N 2.65Å
188	K	94.5	Very high	95.2	Very high	87 Å²	87	62.9 Å²	62.9	38%	0.378	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.6	171.4	179.9	-170.2	173.4	-171.9	0	108	K175 V177 Y180 A192 I193	K175-K188 WeakPolarHBondContact O-CE 3.25Å; K175-K188 PolarHBondContact O-NZ 3.38Å; V177-K188 HydrophobicContact CG2-CD 4.47Å; Y180-K188 HydrophobicContact CE1-CD 4.31Å; K188-A192 WeakPolarHBondContact CA-O 3.45Å; K188-I193 HydrophobicContact CG-CG1 4.32Å
189	S	93.1	Very high	95.2	Very high	74 Å²	74	67 Å²	67	52%	0.517	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	117	173.6	-175.7	0	0	0	0	109	E191 A192	S189-E191 PolarHBondContact O-N 2.96Å; S189-A192 PolarHBondContact N-O 2.85Å; S189-A192 PolarHBondContact O-N 2.85Å
190	D	92.8	Very high	95.1	Very high	123 Å²	123	70.3 Å²	70.3	66%	0.658	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	-109.3	-178.5	-58.2	-45.1	0	0	0	112.8	K175	K175-D190 WeakPolarHBondContact CA-O 3.29Å
191	E	95.6	Very high	95	Very high	91 Å²	91	68.8 Å²	68.8	43%	0.425	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	12.7	-177.2	-55.4	179.3	164.7	0	0	112.3	L172 K175 S189	L172-E191 WeakPolarHBondContact CB-O 3.5Å; L172-E191 PolarHBondContact N-O 3.48Å; K175-E191 HydrophobicContact CB-CG 4.42Å; S189-E191 PolarHBondContact O-N 2.96Å
192	A	97.1	Very high	94.9	Very high	7 Å²	7	69.9 Å²	69.9	6%	0.058	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	143	-179.4	0	0	0	0	0	112.4	R169 V170 K188 S189	R169-A192 HydrophobicContact CG-CB 4.5Å; V170-A192 CarbonylContact O-C 3.57Å; V170-A192 VanDerWaalsContact O-CA 3.27Å; V170-A192 WeakPolarHBondContact O-CA 3.35Å; K188-A192 WeakPolarHBondContact CA-O 3.45Å; S189-A192 PolarHBondContact N-O 2.85Å; S189-A192 PolarHBondContact O-N 2.85Å
193	I	97.8	Very high	94.8	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.9	170.1	-53.3	172.4	0	0	0	107.9	R169 V170 L172 Y180 P186 S187 K188 Y195 V211	R169-I193 CarbonylContact C-O 3.54Å; R169-I193 WeakPolarHBondContact CA-O 3.41Å; V170-I193 HydrophobicContact CB-CB 4.36Å; V170-I193 PolarHBondContact N-O 3.36Å; V170-I193 PolarHBondContact O-N 2.81Å; L172-I193 HydrophobicContact CD1-CD1 3.99Å; L172-I193 HydrophobicContact CD1-CG1 4.23Å; Y180-I193 HydrophobicContact CD1-CD1 4.12Å; Y180-I193 HydrophobicContact CD2-CD1 3.96Å; Y180-I193 HydrophobicContact CD2-CG2 3.83Å; Y180-I193 HydrophobicContact CE2-CD1 4.45Å; Y180-I193 HydrophobicContact CE2-CG2 3.81Å; Y180-I193 HydrophobicContact CG-CD1 3.74Å; P186-I193 HydrophobicContact CB-CG2 4.08Å; S187-I193 CarbonylContact O-C 3.59Å; S187-I193 WeakPolarHBondContact O-CA 3.33Å; K188-I193 HydrophobicContact CG-CG1 4.32Å; I193-Y195 HydrophobicContact CB-CE2 4.12Å; I193-Y195 HydrophobicContact CG2-CD2 3.97Å; I193-Y195 HydrophobicContact CG2-CE2 3.38Å; I193-V211 HydrophobicContact CD1-CG1 4.06Å
194	E	97.6	Very high	94.8	Very high	96 Å²	96	66 Å²	66	45%	0.449	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.5	177.5	-54.9	-172.7	159.3	0	0	110.5	T168 R169 P186 S187	T168-E194 WeakPolarHBondContact O-CA 3.27Å; R169-E194 HydrophobicContact CG-CG 4.43Å; P186-E194 CarbonylContact C-O 3.57Å; P186-E194 WeakPolarHBondContact CA-O 3.41Å; P186-E194 WeakPolarHBondContact CB-O 3.44Å; S187-E194 PolarHBondContact N-O 2.59Å; S187-E194 PolarHBondContact O-N 2.65Å
195	Y	97.2	Very high	95	Very high	3 Å²	3	64.7 Å²	64.7	1%	0.012	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	144.1	176.3	-69.3	-94.2	0	0	0	110.4	H155 T168 V170 T181 P186 I193 F198 L209	H155-Y195 AromaticContact CD2-CD1 3.62Å; H155-Y195 AromaticContact CD2-CE1 3.63Å; H155-Y195 AromaticContact NE2-CD1 3.91Å; H155-Y195 AromaticContact NE2-CE1 3.45Å; H155-Y195 WeakPolarHBondContact NE2-CE1 3.44Å; T168-Y195 PolarHBondContact N-O 3.04Å; T168-Y195 PolarHBondContact O-N 3.48Å; V170-Y195 HydrophobicContact CG2-CD2 4.16Å; V170-Y195 HydrophobicContact CG2-CE2 3.93Å; T181-Y195 WeakPolarHBondContact O-CE1 3.33Å; T181-Y195 PolarHBondContact O-OH 2.95Å; T181-Y195 VanDerWaalsContact O-OH 3.07Å; T181-Y195 PolarHBondContact OG1-OH 3.43Å; P186-Y195 HydrophobicContact CB-CD1 3.69Å; P186-Y195 HydrophobicContact CB-CE1 3.77Å; P186-Y195 HydrophobicContact CB-CG 4.08Å; P186-Y195 HydrophobicContact CG-CD1 4.06Å; P186-Y195 HydrophobicContact CG-CE1 3.74Å; I193-Y195 HydrophobicContact CB-CE2 4.12Å; I193-Y195 HydrophobicContact CG2-CD2 3.97Å; I193-Y195 HydrophobicContact CG2-CE2 3.38Å; Y195-F198 HydrophobicContact CD1-CZ 4.46Å; Y195-L209 HydrophobicContact CE1-CD1 4.16Å; Y195-L209 HydrophobicContact CE2-CD1 3.72Å; Y195-L209 WeakPolarHBondContact OH-CD1 3.29Å
196	G	92.1	Very high	95	Very high	27 Å²	27	62.9 Å²	62.9	28%	0.278	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	86.7	-166.4	-177.9	0	0	0	0	0	113
197	P	94.4	Very high	95	Very high	83 Å²	83	65.1 Å²	65.1	54%	0.539	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-70	127.2	11.2	27.7	-34.8	0	0	0	112.9	Q166 T167	Q166-P197 CarbonylContact O-C 3.47Å; Q166-P197 WeakPolarHBondContact O-CA 3.34Å; T167-P197 HydrophobicContact CG2-CB 4.04Å
198	F	95.8	Very high	95	Very high	19 Å²	19	65.8 Å²	65.8	8%	0.083	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	133.8	168.6	-54	-60.6	0	0	0	108.9	Y156 S165 Q166 L183 Y195 V201	Y156-F198 HydrophobicContact CD1-CD2 4.1Å; Y156-F198 HydrophobicContact CD1-CG 4.29Å; Y156-F198 HydrophobicContact CE1-CB 4.1Å; Y156-F198 HydrophobicContact CE1-CD1 4.06Å; Y156-F198 AromaticContact CE1-CD2 3.99Å; Y156-F198 HydrophobicContact CE1-CD2 3.99Å; Y156-F198 HydrophobicContact CE1-CE1 4.48Å; Y156-F198 HydrophobicContact CE1-CE2 4.4Å; Y156-F198 AromaticContact CE1-CG 3.79Å; Y156-F198 HydrophobicContact CE1-CG 3.79Å; S165-F198 WeakPolarHBondContact CA-O 3.29Å; Q166-F198 HydrophobicContact CB-CB 4.47Å; Q166-F198 PolarHBondContact N-O 3.03Å; Q166-F198 PolarHBondContact O-N 2.76Å; L183-F198 HydrophobicContact CD2-CE1 3.87Å; L183-F198 HydrophobicContact CD2-CZ 3.94Å; L183-F198 HydrophobicContact CG-CE1 4Å; L183-F198 HydrophobicContact CG-CZ 4.36Å; Y195-F198 HydrophobicContact CD1-CZ 4.46Å; F198-V201 HydrophobicContact CB-CG2 3.85Å
199	R	96.2	Very high	95.1	Very high	200 Å²	200	61.8 Å²	61.8	76%	0.755	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	141.8	-179.6	-64.7	-173.3	179.6	-175.2	-0.2	110.8	R164 V201	R164-R199 WeakPolarHBondContact O-CA 3.13Å; R199-V201 PolarHBondContact O-N 2.7Å
200	D	94.8	Very high	95.3	Very high	128 Å²	128	62.8 Å²	62.8	68%	0.684	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.5	54.8	171.8	-56.3	-51.5	0	0	0	113.6	T163 R164	T163-D200 CarbonylContact O-C 3.57Å; T163-D200 WeakPolarHBondContact O-CA 3.47Å; T163-D200 PolarHBondContact O-N 2.93Å; R164-D200 PolarHBondContact O-N 3.34Å
201	V	95.7	Very high	95.6	Very high	12 Å²	12	56.9 Å²	56.9	7%	0.073	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	127.7	177.1	-178.5	0	0	0	0	109.7	Y156 T163 F198 R199 S205	Y156-V201 HydrophobicContact CD1-CB 4.48Å; Y156-V201 HydrophobicContact CD1-CG1 3.76Å; Y156-V201 HydrophobicContact CD1-CG2 3.81Å; Y156-V201 HydrophobicContact CE1-CG1 4.37Å; Y156-V201 HydrophobicContact CE1-CG2 3.98Å; Y156-V201 HydrophobicContact CG-CG1 3.86Å; T163-V201 PolarHBondContact N-O 2.82Å; T163-V201 PolarHBondContact O-N 3.35Å; F198-V201 HydrophobicContact CB-CG2 3.85Å; R199-V201 PolarHBondContact O-N 2.7Å; V201-S205 VanDerWaalsContact CG1-CB 3.5Å; V201-S205 WeakPolarHBondContact CG1-OG 3.4Å
202	A	95.4	Very high	95.7	Very high	59 Å²	59	53.6 Å²	53.6	49%	0.488	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-69.3	157.1	-179.1	0	0	0	0	0	112.1	S205	A202-S205 PolarHBondContact N-OG 3.07Å; A202-S205 WeakPolarHBondContact O-CB 3.28Å; A202-S205 PolarHBondContact O-N 2.9Å; A202-S205 PolarHBondContact O-OG 3.01Å
203	P	93.9	Very high	95.8	Very high	60 Å²	60	53.3 Å²	53.3	39%	0.39	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	142.9	170.1	-25.5	35.4	0	0	0	112.1	P162 S205	P162-P203 HydrophobicContact CB-CG 4.26Å; P203-S205 PolarHBondContact O-N 2.99Å
204	F	93.5	Very high	95.8	Very high	33 Å²	33	54 Å²	54	15%	0.145	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	34.3	179.6	-56.1	-72	0	0	0	114.2	V24 I100 Q103 F107 Y158 S159 P160	V24-F204 HydrophobicContact CG1-CE2 4.49Å; I100-F204 HydrophobicContact CD1-CZ 4.05Å; Q103-F204 HydrophobicContact CB-CE1 4.48Å; Q103-F204 HydrophobicContact CB-CZ 4.44Å; Q103-F204 HydrophobicContact CG-CD2 4.38Å; Q103-F204 HydrophobicContact CG-CE1 4.17Å; Q103-F204 HydrophobicContact CG-CE2 3.9Å; Q103-F204 HydrophobicContact CG-CZ 3.76Å; F107-F204 AromaticContact CE1-CE1 3.94Å; F107-F204 HydrophobicContact CE1-CE1 3.94Å; Y158-F204 AromaticContact CE1-CD1 3.95Å; Y158-F204 HydrophobicContact CE1-CD1 3.95Å; Y158-F204 HydrophobicContact CE1-CE1 4.37Å; Y158-F204 HydrophobicContact CE2-CB 4Å; Y158-F204 AromaticContact CE2-CD1 3.92Å; Y158-F204 HydrophobicContact CE2-CD1 3.92Å; Y158-F204 HydrophobicContact CE2-CG 4.47Å; Y158-F204 AromaticContact CZ-CD1 3.58Å; S159-F204 PolarHBondContact O-N 3.2Å; P160-F204 HydrophobicContact CB-CE1 4.04Å; P160-F204 HydrophobicContact CB-CE2 3.94Å; P160-F204 HydrophobicContact CB-CZ 3.47Å; P160-F204 VanDerWaalsContact CB-CZ 3.47Å
205	S	94.2	Very high	95.8	Very high	25 Å²	25	49.4 Å²	49.4	18%	0.175	27%	0.272	C	S	.	.			trans	-68.3	133.6	175.5	-66.4	0	0	0	0	111.4	N154 V201 A202 P203	N154-S205 PolarHBondContact ND2-O 3.5Å; V201-S205 VanDerWaalsContact CG1-CB 3.5Å; V201-S205 WeakPolarHBondContact CG1-OG 3.4Å; A202-S205 PolarHBondContact N-OG 3.07Å; A202-S205 WeakPolarHBondContact O-CB 3.28Å; A202-S205 PolarHBondContact O-N 2.9Å; A202-S205 PolarHBondContact O-OG 3.01Å; P203-S205 PolarHBondContact O-N 2.99Å
206	E	93.4	Very high	95.7	Very high	117 Å²	117	50.7 Å²	50.7	55%	0.547	28%	0.279	S	S	.	.			trans	-127.9	130.4	178	-68.1	-179.9	164.2	0	0	109.7	Y158	Y158-E206 HydrophobicContact CD2-CG 3.84Å; Y158-E206 HydrophobicContact CE2-CG 3.79Å; Y158-E206 WeakPolarHBondContact CE2-OE1 3.18Å
207	D	94.9	Very high	95.9	Very high	63 Å²	63	51.4 Å²	51.4	34%	0.337	28%	0.278	S	S	.	.			trans	-150.3	133.9	167.3	-176.2	79	0	0	0	109.7	N154 H155 Y156 L209	N154-D207 CarbonylContact C-O 3.56Å; N154-D207 WeakPolarHBondContact CA-O 3.49Å; N154-D207 PolarHBondContact OD1-N 2.98Å; N154-D207 PolarHBondContact OD1-O 2.71Å; N154-D207 VanDerWaalsContact OD1-O 3.08Å; H155-D207 HydrophobicContact CB-CB 4.42Å; H155-D207 IonicContact CE1-OD2 3.84Å; H155-D207 PolarHBondContact CE1-OD2 2.85Å; H155-D207 IonicContact CG-OD2 3.83Å; H155-D207 PolarHBondContact N-O 2.96Å; H155-D207 PolarHBondContact ND1-O 2.6Å; H155-D207 IonicContact ND1-OD2 3.6Å; H155-D207 PolarHBondContact ND1-OD2 3.08Å; Y156-D207 HydrophobicContact CD2-CB 3.94Å; Y156-D207 HydrophobicContact CE2-CB 3.56Å; D207-L209 PolarHBondContact O-N 3.26Å; D207-L209 VanDerWaalsContact O-N 3.14Å
208	A	95.3	Very high	95.9	Very high	74 Å²	74	50.8 Å²	50.8	61%	0.612	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	110.5	-169.1	0	0	0	0	0	112.4	H155	H155-A208 PolarHBondContact CE1-O 2.88Å; H155-A208 PolarHBondContact ND1-O 3.23Å
209	L	96.6	Very high	96	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.016	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	124.2	167.3	171.9	66.5	0	0	0	108.9	F151 Q152 G153 H155 V170 T181 Y195 D207 V211	F151-L209 HydrophobicContact CE1-CD2 4.23Å; Q152-L209 WeakPolarHBondContact CA-O 3.27Å; G153-L209 PolarHBondContact N-O 3.06Å; G153-L209 WeakPolarHBondContact O-CB 3.43Å; G153-L209 PolarHBondContact O-N 3.47Å; H155-L209 VanDerWaalsContact CE1-CA 3.49Å; H155-L209 WeakPolarHBondContact CE1-CA 3.28Å; H155-L209 PolarHBondContact ND1-N 2.91Å; V170-L209 HydrophobicContact CG2-CD2 4.28Å; T181-L209 WeakPolarHBondContact OG1-CD1 3.34Å; Y195-L209 HydrophobicContact CE1-CD1 4.16Å; Y195-L209 HydrophobicContact CE2-CD1 3.72Å; Y195-L209 WeakPolarHBondContact OH-CD1 3.29Å; D207-L209 PolarHBondContact O-N 3.26Å; D207-L209 VanDerWaalsContact O-N 3.14Å; L209-V211 HydrophobicContact CD1-CG2 4.13Å
210	K	97.8	Very high	96.1	Very high	95 Å²	95	40.6 Å²	40.6	41%	0.413	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	130.2	175.3	-174.4	178.9	-179.6	-179.2	0	110.3	V150 F151 Q152 Y180 T181	V150-K210 HydrophobicContact CG1-CD 4.42Å; V150-K210 HydrophobicContact CG1-CG 4.05Å; F151-K210 WeakPolarHBondContact O-CA 3.42Å; Q152-K210 HydrophobicContact CG-CG 4.26Å; Y180-K210 VanDerWaalsContact CA-O 3.31Å; Y180-K210 WeakPolarHBondContact CA-O 3.43Å; T181-K210 HydrophobicContact CG2-CB 3.98Å; T181-K210 PolarHBondContact N-O 2.85Å; T181-K210 VanDerWaalsContact N-O 3.11Å; T181-K210 PolarHBondContact OG1-N 2.88Å
211	V	98.1	Very high	96.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	126.5	176.9	-172.5	0	0	0	0	109.4	V150 F151 L172 I193 L209 Y213	V150-V211 WeakPolarHBondContact CA-O 3.42Å; F151-V211 PolarHBondContact N-O 3.26Å; F151-V211 PolarHBondContact O-N 3.46Å; L172-V211 HydrophobicContact CD2-CG1 3.95Å; I193-V211 HydrophobicContact CD1-CG1 4.06Å; L209-V211 HydrophobicContact CD1-CG2 4.13Å; V211-Y213 HydrophobicContact CG1-CD1 3.96Å; V211-Y213 HydrophobicContact CG1-CG 4.5Å
212	H	98.4	Very high	96.4	Very high	22 Å²	22	34 Å²	34	10%	0.102	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	114.6	176	-177.5	-158.3	0	0	0	108.8	F137 V149 V150 V177 E178 S179	F137-H212 AromaticContact CD1-CE1 3.61Å; F137-H212 AromaticContact CD1-NE2 3.74Å; F137-H212 PolarHBondContact O-NE2 2.87Å; V149-H212 WeakPolarHBondContact O-CA 3.36Å; V149-H212 PolarHBondContact O-CD2 3.47Å; V150-H212 HydrophobicContact CG2-CB 3.94Å; V177-H212 WeakPolarHBondContact CG1-O 3.37Å; E178-H212 HydrophobicContact CB-CB 4.22Å; E178-H212 WeakPolarHBondContact CB-ND1 3.24Å; E178-H212 PolarHBondContact N-O 2.89Å; S179-H212 PolarHBondContact N-O 2.82Å; S179-H212 PolarHBondContact O-N 2.94Å
213	Y	98.3	Very high	96.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	166	-168.8	70.2	-73.6	0	0	0	111.7	L40 L148 V149 L172 A173 V211 N215	L40-Y213 HydrophobicContact CB-CE1 4.38Å; L40-Y213 VanDerWaalsContact CB-OH 3.3Å; L40-Y213 WeakPolarHBondContact CB-OH 3.47Å; L40-Y213 HydrophobicContact CD1-CE1 4.31Å; L40-Y213 PolarHBondContact O-OH 2.93Å; L148-Y213 CarbonylContact C-O 3.58Å; L148-Y213 VanDerWaalsContact CA-O 3.29Å; L148-Y213 WeakPolarHBondContact CA-O 3.48Å; V149-Y213 HydrophobicContact CG2-CD1 4.09Å; V149-Y213 HydrophobicContact CG2-CE1 3.47Å; V149-Y213 VanDerWaalsContact CG2-CE1 3.47Å; V149-Y213 HydrophobicContact CG2-CE2 4.15Å; V149-Y213 VanDerWaalsContact CG2-CZ 3.49Å; V149-Y213 PolarHBondContact N-O 3.01Å; V149-Y213 PolarHBondContact O-N 3.1Å; L172-Y213 HydrophobicContact CB-CD2 3.95Å; L172-Y213 HydrophobicContact CB-CE2 4.24Å; L172-Y213 HydrophobicContact CD1-CG 4.47Å; L172-Y213 HydrophobicContact CD2-CD1 4.12Å; L172-Y213 HydrophobicContact CD2-CD2 4.08Å; L172-Y213 HydrophobicContact CD2-CE1 4.32Å; L172-Y213 HydrophobicContact CD2-CE2 4.27Å; L172-Y213 HydrophobicContact CD2-CG 4.02Å; L172-Y213 HydrophobicContact CG-CD2 4.44Å; A173-Y213 HydrophobicContact CB-CE2 4.01Å; V211-Y213 HydrophobicContact CG1-CD1 3.96Å; V211-Y213 HydrophobicContact CG1-CG 4.5Å; Y213-N215 HydrophobicContact CD2-CB 4.31Å; Y213-N215 HydrophobicContact CE2-CB 3.71Å; Y213-N215 PolarHBondContact OH-ND2 2.89Å
214	E	98.1	Very high	96.7	Very high	14 Å²	14	31.7 Å²	31.7	7%	0.065	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	126.4	177.1	-174.3	-166.6	162.2	0	0	111.3	R146 Q147 L148 S174 T176 N216	R146-E214 HydrophobicContact CB-CG 4.29Å; R146-E214 VanDerWaalsContact CD-OE1 3.25Å; R146-E214 WeakPolarHBondContact CD-OE1 3.42Å; R146-E214 IonicContact CZ-OE1 3.65Å; R146-E214 IonicContact NE-OE1 2.79Å; R146-E214 IonicContact NH1-OE1 3.74Å; R146-E214 PolarHBondContact NH1-OE1 2.78Å; R146-E214 IonicContact NH1-OE2 2.65Å; Q147-E214 WeakPolarHBondContact O-CA 3.49Å; L148-E214 HydrophobicContact CD2-CB 3.69Å; L148-E214 HydrophobicContact CD2-CG 4.3Å; S174-E214 WeakPolarHBondContact OG-CB 3.36Å; S174-E214 PolarHBondContact OG-O 2.89Å; T176-E214 WeakPolarHBondContact CB-OE2 3.41Å; T176-E214 HydrophobicContact CG2-CB 4.16Å; T176-E214 WeakPolarHBondContact CG2-OE2 3.45Å; T176-E214 PolarHBondContact O-N 3.11Å; T176-E214 PolarHBondContact OG1-OE2 2.8Å; E214-N216 PolarHBondContact OE1-ND2 2.84Å
215	N	97.8	Very high	97	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.175	C	C	.	.			trans	-143.8	100.8	177.4	-170.3	-10	0	0	0	110.1	T42 Q147 V149 A173 Y213 T217 F219	T42-N215 PolarHBondContact O-ND2 3Å; Q147-N215 WeakPolarHBondContact CB-O 3.49Å; Q147-N215 WeakPolarHBondContact CG-O 3.22Å; Q147-N215 PolarHBondContact NE2-O 3.01Å; Q147-N215 PolarHBondContact O-N 2.96Å; V149-N215 HydrophobicContact CG1-CB 4.39Å; V149-N215 HydrophobicContact CG2-CB 3.7Å; A173-N215 HydrophobicContact CB-CB 3.89Å; A173-N215 VanDerWaalsContact CB-CG 3.43Å; A173-N215 WeakPolarHBondContact CB-OD1 3.33Å; Y213-N215 HydrophobicContact CD2-CB 4.31Å; Y213-N215 HydrophobicContact CE2-CB 3.71Å; Y213-N215 PolarHBondContact OH-ND2 2.89Å; N215-T217 WeakPolarHBondContact OD1-CB 3.27Å; N215-T217 WeakPolarHBondContact OD1-CG2 3.32Å; N215-T217 PolarHBondContact OD1-N 2.87Å; N215-T217 VanDerWaalsContact OD1-N 3.13Å; N215-T217 PolarHBondContact OD1-OG1 2.77Å; N215-F219 HydrophobicContact CB-CE2 4.43Å
216	N	95.9	Very high	97.2	Very high	31 Å²	31	31 Å²	31	17%	0.166	18%	0.179	C	C	.	.			trans	-102.2	17.7	177.4	-48.8	-75	0	0	0	112.9	R146 Q147 E214 I269	R146-N216 WeakPolarHBondContact CA-OD1 3.17Å; Q147-N216 PolarHBondContact N-OD1 3.08Å; E214-N216 PolarHBondContact OE1-ND2 2.84Å; N216-I269 HydrophobicContact CB-CG2 3.65Å
217	T	95.8	Very high	97.4	Very high	42 Å²	42	25.5 Å²	25.5	26%	0.258	15%	0.153	S	C	.	.	S	Bend	trans	-61.8	162.2	173.6	57.2	0	0	0	0	110.8	S41 A173 N215 F219	S41-T217 VanDerWaalsContact O-CG2 3.28Å; S41-T217 WeakPolarHBondContact O-CG2 3.37Å; A173-T217 HydrophobicContact CB-CG2 4.49Å; N215-T217 WeakPolarHBondContact OD1-CB 3.27Å; N215-T217 WeakPolarHBondContact OD1-CG2 3.32Å; N215-T217 PolarHBondContact OD1-N 2.87Å; N215-T217 VanDerWaalsContact OD1-N 3.13Å; N215-T217 PolarHBondContact OD1-OG1 2.77Å; T217-F219 VanDerWaalsContact O-CD2 3.28Å; T217-F219 WeakPolarHBondContact O-CD2 3.38Å; T217-F219 PolarHBondContact O-N 2.93Å; T217-F219 VanDerWaalsContact O-N 3.09Å
218	P	94.3	Very high	97.6	Very high	70 Å²	70	24.4 Å²	24.4	46%	0.455	15%	0.147	S	C	.	.			trans	-59.8	109.4	174.2	-28.1	38.6	0	0	0	112.3	L220 V272	P218-L220 PolarHBondContact O-N 2.83Å; P218-V272 HydrophobicContact CB-CG2 3.67Å; P218-V272 HydrophobicContact CG-CG2 4.39Å
219	F	97.4	Very high	97.7	Very high	4 Å²	4	21 Å²	21	2%	0.018	12%	0.118	C	C	.	.			trans	-91.6	80.3	172.7	-84.1	-127.4	0	0	0	108.9	H43 L134 Q147 V149 N215 T217 H247 T248 G249	H43-F219 HydrophobicContact CB-CB 4.25Å; H43-F219 HydrophobicContact CB-CD1 3.76Å; H43-F219 HydrophobicContact CB-CD2 3.56Å; H43-F219 HydrophobicContact CB-CE1 3.89Å; H43-F219 HydrophobicContact CB-CE2 3.71Å; H43-F219 HydrophobicContact CB-CG 3.59Å; H43-F219 HydrophobicContact CB-CZ 3.87Å; L134-F219 HydrophobicContact CB-CE1 4.09Å; L134-F219 HydrophobicContact CB-CZ 4.37Å; L134-F219 HydrophobicContact CD1-CZ 4.15Å; Q147-F219 VanDerWaalsContact NE2-CD2 3.32Å; Q147-F219 VanDerWaalsContact NE2-CE2 3.27Å; V149-F219 HydrophobicContact CG1-CE1 4.05Å; V149-F219 HydrophobicContact CG1-CZ 3.83Å; N215-F219 HydrophobicContact CB-CE2 4.43Å; T217-F219 VanDerWaalsContact O-CD2 3.28Å; T217-F219 WeakPolarHBondContact O-CD2 3.38Å; T217-F219 PolarHBondContact O-N 2.93Å; T217-F219 VanDerWaalsContact O-N 3.09Å; F219-H247 CarbonylContact O-C 3.57Å; F219-H247 VanDerWaalsContact O-CA 3.27Å; F219-H247 WeakPolarHBondContact O-CA 3.46Å; F219-H247 PolarHBondContact O-ND1 2.8Å; F219-T248 PolarHBondContact O-N 3.01Å; F219-T248 PolarHBondContact O-OG1 2.93Å; F219-G249 VanDerWaalsContact CB-N 3.31Å
220	L	97.6	Very high	97.8	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	145.4	177	-69.2	178.2	0	0	0	111.2	H43 P218 M245 V272 F275 L317 Y355	H43-L220 PolarHBondContact CE1-O 3.47Å; H43-L220 PolarHBondContact ND1-O 3.05Å; P218-L220 PolarHBondContact O-N 2.83Å; L220-M245 HydrophobicContact CB-SD 3.95Å; L220-M245 HydrophobicContact CD1-SD 3.59Å; L220-M245 VanDerWaalsContact CD1-SD 3.59Å; L220-M245 HydrophobicContact CD2-CG 4.1Å; L220-M245 HydrophobicContact CD2-SD 3.79Å; L220-M245 HydrophobicContact CG-SD 3.97Å; L220-V272 HydrophobicContact CD1-CG1 3.91Å; L220-V272 HydrophobicContact CD1-CG2 4.39Å; L220-V272 HydrophobicContact CD2-CB 4.25Å; L220-V272 HydrophobicContact CD2-CG1 4.37Å; L220-V272 HydrophobicContact CD2-CG2 3.92Å; L220-V272 HydrophobicContact CG-CG1 4.39Å; L220-V272 HydrophobicContact CG-CG2 4.01Å; L220-F275 HydrophobicContact CD1-CD1 3.95Å; L220-F275 HydrophobicContact CD1-CG 4.38Å; L220-L317 HydrophobicContact CD2-CD1 3.87Å; L220-Y355 VanDerWaalsContact C-OH 3.27Å; L220-Y355 HydrophobicContact CB-CE1 4.35Å; L220-Y355 HydrophobicContact CB-CE2 3.83Å; L220-Y355 HydrophobicContact CD1-CD2 4.42Å; L220-Y355 PolarHBondContact O-OH 3.21Å
221	T	98.4	Very high	97.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	128.9	171.2	-57.5	0	0	0	0	109.2	H132 S223 M245 R246 T248 V359 D361	H132-T221 VanDerWaalsContact CE1-CG2 3.45Å; H132-T221 WeakPolarHBondContact CE1-CG2 3.49Å; H132-T221 PolarHBondContact CE1-OG1 3.5Å; T221-S223 PolarHBondContact O-N 3.14Å; T221-M245 WeakPolarHBondContact O-CA 3.43Å; T221-R246 PolarHBondContact N-O 3.46Å; T221-R246 PolarHBondContact O-N 2.72Å; T221-T248 HydrophobicContact CG2-CG2 4.48Å; T221-T248 WeakPolarHBondContact OG1-CG2 3.42Å; T221-T248 PolarHBondContact OG1-OG1 2.61Å; T221-T248 VanDerWaalsContact OG1-OG1 3.1Å; T221-V359 HydrophobicContact CG2-CG1 4.32Å; T221-D361 WeakPolarHBondContact CG2-OD1 3.28Å; T221-D361 WeakPolarHBondContact CG2-OD2 3.37Å
222	I	98.6	Very high	97.7	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	107.9	168.1	-64.8	159.2	0	0	0	107.1	I225 I243 D244 V354 Y355 V359 I360 D361	I222-I225 HydrophobicContact CG2-CB 3.82Å; I222-I225 HydrophobicContact CG2-CG2 4.02Å; I222-I243 HydrophobicContact CG1-CG2 4.06Å; I222-I243 HydrophobicContact CG2-CG2 4.07Å; I222-D244 CarbonylContact C-O 3.55Å; I222-D244 WeakPolarHBondContact CA-O 3.46Å; I222-V354 HydrophobicContact CD1-CB 3.84Å; I222-V354 HydrophobicContact CD1-CG1 3.9Å; I222-V354 HydrophobicContact CD1-CG2 3.89Å; I222-Y355 HydrophobicContact CD1-CD1 4.19Å; I222-Y355 HydrophobicContact CD1-CE1 3.66Å; I222-Y355 HydrophobicContact CG1-CE1 3.9Å; I222-V359 PolarHBondContact N-O 3.05Å; I222-I360 HydrophobicContact CB-CB 4.43Å; I222-I360 HydrophobicContact CB-CG1 3.95Å; I222-I360 HydrophobicContact CD1-CD1 4.38Å; I222-I360 HydrophobicContact CD1-CG1 3.68Å; I222-I360 HydrophobicContact CG1-CG1 4.43Å; I222-I360 HydrophobicContact CG2-CG1 4.15Å; I222-I360 HydrophobicContact CG2-CG2 4.28Å; I222-I360 WeakPolarHBondContact O-CA 3.1Å; I222-D361 PolarHBondContact O-N 3.44Å
223	S	98.4	Very high	97.6	Very high	34 Å²	34	20.4 Å²	20.4	24%	0.238	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	-39.9	178.7	-55.3	0	0	0	0	110.9	T221 D244 R246 D361	T221-S223 PolarHBondContact O-N 3.14Å; S223-D244 PolarHBondContact N-O 2.88Å; S223-R246 VanDerWaalsContact OG-CD 3.29Å; S223-R246 WeakPolarHBondContact OG-CD 3.11Å; S223-R246 WeakPolarHBondContact OG-CG 3.39Å; S223-R246 PolarHBondContact OG-NE 2.88Å; S223-D361 WeakPolarHBondContact O-CB 3.44Å
224	S	98.5	Very high	97.4	Very high	38 Å²	38	27.2 Å²	27.2	27%	0.266	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	139	175.2	28.3	0	0	0	0	110.1	D244 S362	S224-D244 PolarHBondContact N-O 2.88Å; S224-D244 PolarHBondContact O-N 2.64Å; S224-D244 WeakPolarHBondContact OG-CB 3.47Å; S224-D244 PolarHBondContact OG-OD2 3.19Å; S224-S362 WeakPolarHBondContact CA-O 3.4Å
225	I	98.5	Very high	97.1	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	128.7	167.4	179	166.9	0	0	0	109.3	I222 E241 T242 I243 V354 I360 S362 L363 T364	I222-I225 HydrophobicContact CG2-CB 3.82Å; I222-I225 HydrophobicContact CG2-CG2 4.02Å; I225-E241 HydrophobicContact CD1-CB 4.28Å; I225-E241 HydrophobicContact CD1-CG 4.41Å; I225-E241 HydrophobicContact CG1-CB 4.46Å; I225-T242 WeakPolarHBondContact CA-O 3.49Å; I225-I243 HydrophobicContact CD1-CD1 3.94Å; I225-I243 HydrophobicContact CD1-CG1 3.81Å; I225-I243 HydrophobicContact CG1-CG1 3.93Å; I225-V354 HydrophobicContact CD1-CG2 4.12Å; I225-I360 HydrophobicContact CG2-CD1 4.22Å; I225-I360 HydrophobicContact CG2-CG1 4.34Å; I225-I360 HydrophobicContact CG2-CG2 3.52Å; I225-S362 PolarHBondContact N-O 3.06Å; I225-L363 HydrophobicContact CG2-CB 4.11Å; I225-L363 HydrophobicContact CG2-CD1 3.6Å; I225-L363 HydrophobicContact CG2-CG 4.47Å; I225-L363 WeakPolarHBondContact O-CA 3.47Å; I225-T364 PolarHBondContact O-N 2.87Å
226	T	98.6	Very high	96.9	Very high	42 Å²	42	30.7 Å²	30.7	26%	0.258	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	109.1	169.7	-57.8	0	0	0	0	108.1	I228 E241 T242 T364 K366	T226-I228 HydrophobicContact CG2-CG1 4.19Å; T226-E241 WeakPolarHBondContact O-CA 3.41Å; T226-T242 PolarHBondContact N-O 2.95Å; T226-T242 PolarHBondContact O-N 2.82Å; T226-T364 CarbonylContact C-O 3.53Å; T226-T364 WeakPolarHBondContact CA-O 3.44Å; T226-K366 HydrophobicContact CG2-CD 4.42Å
227	R	98.4	Very high	97	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.008	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	113.7	177.9	-178.1	174.1	179.1	95.3	-8.2	109	I229 V239 E241 Y329 D352 L363 T364 V365 K366	R227-I229 HydrophobicContact CG-CG1 4.26Å; R227-V239 HydrophobicContact CG-CG1 4.33Å; R227-E241 HydrophobicContact CB-CG 4.16Å; R227-E241 VanDerWaalsContact CD-OE1 3.28Å; R227-E241 WeakPolarHBondContact CD-OE1 3.39Å; R227-E241 HydrophobicContact CG-CG 3.95Å; R227-E241 IonicContact CZ-OE1 2.65Å; R227-E241 IonicContact NE-OE1 2.61Å; R227-E241 IonicContact NH1-OE1 3.87Å; R227-E241 PolarHBondContact NH1-OE1 3.47Å; R227-E241 IonicContact NH1-OE2 2.9Å; R227-Y329 PolarHBondContact NH1-OH 3.15Å; R227-Y329 PolarHBondContact NH2-OH 2.85Å; R227-D352 IonicContact CZ-OD2 3.43Å; R227-D352 IonicContact NH1-OD2 2.85Å; R227-D352 IonicContact NH2-OD2 3.15Å; R227-D352 PolarHBondContact NH2-OD2 3.38Å; R227-D352 VanDerWaalsContact NH2-OD2 3.1Å; R227-L363 HydrophobicContact CB-CD1 4.36Å; R227-T364 PolarHBondContact N-O 2.88Å; R227-V365 CarbonylContact O-C 3.58Å; R227-V365 WeakPolarHBondContact O-CA 3.46Å; R227-K366 PolarHBondContact O-N 3.18Å
228	I	98.6	Very high	97.2	Very high	40 Å²	40	28.6 Å²	28.6	21%	0.205	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.1	177.1	-58	177.3	0	0	0	107.9	T226 V239 E240 K366 I368	T226-I228 HydrophobicContact CG2-CG1 4.19Å; I228-V239 CarbonylContact O-C 3.59Å; I228-V239 WeakPolarHBondContact O-CA 3.47Å; I228-E240 PolarHBondContact N-O 2.86Å; I228-E240 PolarHBondContact O-N 2.85Å; I228-K366 CarbonylContact C-O 3.57Å; I228-K366 WeakPolarHBondContact CA-O 3.33Å; I228-K366 HydrophobicContact CG1-CB 4.3Å; I228-K366 HydrophobicContact CG1-CD 4.45Å; I228-I368 HydrophobicContact CG2-CD1 3.66Å; I228-I368 HydrophobicContact CG2-CG1 4.27Å
229	I	98.4	Very high	97.4	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	108.6	176.3	-58.1	171.6	0	0	0	106.9	R227 V231 I237 V239 M348 V365 K366 L367 I368	R227-I229 HydrophobicContact CG-CG1 4.26Å; I229-V231 HydrophobicContact CG2-CG2 4.48Å; I229-I237 HydrophobicContact CG2-CG2 3.76Å; I229-V239 HydrophobicContact CG1-CG1 4.43Å; I229-V239 HydrophobicContact CG1-CG2 4.38Å; I229-M348 HydrophobicContact CD1-SD 4.46Å; I229-M348 HydrophobicContact CG2-CE 4.32Å; I229-M348 HydrophobicContact CG2-SD 3.63Å; I229-V365 HydrophobicContact CD1-CG1 4.46Å; I229-K366 PolarHBondContact N-O 3.35Å; I229-L367 HydrophobicContact CB-CG 4.45Å; I229-L367 CarbonylContact O-C 3.5Å; I229-L367 WeakPolarHBondContact O-CA 3.38Å; I229-I368 PolarHBondContact O-N 3.1Å
230	E	98.3	Very high	97.4	Very high	51 Å²	51	27.1 Å²	27.1	24%	0.238	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	119.1	177.3	-176.1	174	175	0	0	111	I237 A238 I368 R401	E230-I237 CarbonylContact O-C 3.6Å; E230-I237 WeakPolarHBondContact O-CA 3.39Å; E230-A238 HydrophobicContact CB-CB 4.46Å; E230-A238 PolarHBondContact N-O 3.3Å; E230-A238 PolarHBondContact O-N 2.97Å; E230-I368 HydrophobicContact CB-CB 4.29Å; E230-I368 HydrophobicContact CB-CD1 4.44Å; E230-I368 HydrophobicContact CG-CB 4.23Å; E230-I368 HydrophobicContact CG-CG2 4.26Å; E230-R401 IonicContact OE1-CZ 2.97Å; E230-R401 IonicContact OE1-NH1 3.99Å; E230-R401 PolarHBondContact OE1-NH1 2.82Å
231	V	97.8	Very high	97.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.7	-177.9	-176.1	0	0	0	0	110.4	I229 I237 L337 L346 L367 I368 L369	I229-V231 HydrophobicContact CG2-CG2 4.48Å; V231-I237 HydrophobicContact CG1-CG1 4.42Å; V231-L337 HydrophobicContact CG1-CD2 4.35Å; V231-L346 HydrophobicContact CG2-CD1 4.3Å; V231-L346 HydrophobicContact CG2-CD2 3.74Å; V231-L367 HydrophobicContact CG2-CD2 4.43Å; V231-I368 PolarHBondContact N-O 2.82Å; V231-L369 HydrophobicContact CG2-CD2 4.43Å
232	S	95.8	Very high	97.5	Very high	26 Å²	26	28.7 Å²	28.7	18%	0.182	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.3	173.5	-178.2	0	0	0	0	111.7	W234 G235 N236	S232-W234 PolarHBondContact O-N 2.84Å; S232-W234 PolarHBondContact OG-N 3.27Å; S232-G235 PolarHBondContact O-N 3.14Å; S232-G235 VanDerWaalsContact O-N 3.15Å; S232-N236 WeakPolarHBondContact CA-O 3.26Å; S232-N236 VanDerWaalsContact CB-O 3.31Å; S232-N236 WeakPolarHBondContact CB-O 3.42Å; S232-N236 PolarHBondContact N-O 3.03Å; S232-N236 PolarHBondContact O-N 2.82Å
233	H	95.2	Very high	97.5	Very high	31 Å²	31	28.7 Å²	28.7	14%	0.144	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-4.4	177	-70.4	30.1	0	0	0	112.9	G235 Y344 P370 Y423 F425 M430	H233-G235 PolarHBondContact O-N 3.1Å; H233-Y344 AromaticContact CD2-CE1 3.47Å; H233-Y344 VanDerWaalsContact CD2-CE1 3.47Å; H233-Y344 WeakPolarHBondContact CD2-CE1 3.49Å; H233-Y344 AromaticContact CD2-CZ 3.71Å; H233-Y344 AromaticContact NE2-CD1 3.46Å; H233-Y344 WeakPolarHBondContact NE2-CD1 3.48Å; H233-Y344 AromaticContact NE2-CE1 3.42Å; H233-Y344 WeakPolarHBondContact NE2-CE1 3.31Å; H233-Y344 AromaticContact NE2-CG 3.92Å; H233-Y344 AromaticContact NE2-CZ 3.85Å; H233-P370 WeakPolarHBondContact CE1-CG 3.32Å; H233-P370 WeakPolarHBondContact ND1-CG 3.49Å; H233-Y423 AromaticContact CE1-CE2 3.88Å; H233-Y423 AromaticContact CE1-CZ 3.75Å; H233-Y423 PolarHBondContact CE1-OH 3.17Å; H233-Y423 AromaticContact NE2-CE2 3.61Å; H233-Y423 AromaticContact NE2-CZ 3.82Å; H233-Y423 PolarHBondContact NE2-OH 3.28Å; H233-Y423 VanDerWaalsContact NE2-OH 3.1Å; H233-F425 AromaticContact CD2-CD1 3.46Å; H233-F425 VanDerWaalsContact CD2-CD1 3.46Å; H233-F425 WeakPolarHBondContact CD2-CD1 3.27Å; H233-F425 AromaticContact CD2-CE1 3.7Å; H233-F425 AromaticContact NE2-CD1 3.93Å; H233-M430 HydrophobicContact CB-CE 3.87Å; H233-M430 HydrophobicContact CB-SD 3.83Å; H233-M430 WeakPolarHBondContact O-CE 3.43Å
234	W	94.1	Very high	97.5	Very high	144 Å²	144	30 Å²	30	55%	0.545	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-8.5	168.6	-64.3	101.2	0	0	0	113.5	S232 M430 E433 P434	S232-W234 PolarHBondContact O-N 2.84Å; S232-W234 PolarHBondContact OG-N 3.27Å; W234-M430 HydrophobicContact CD2-CE 3.85Å; W234-M430 HydrophobicContact CE3-CE 4.17Å; W234-M430 HydrophobicContact CG-CE 4.18Å; W234-M430 HydrophobicContact CZ2-CB 4.47Å; W234-M430 HydrophobicContact CZ2-CE 4.37Å; W234-E433 PolarHBondContact NE1-OE2 2.93Å; W234-P434 HydrophobicContact CH2-CG 3.95Å; W234-P434 HydrophobicContact CZ2-CG 4.17Å
235	G	92.1	Very high	97.4	Very high	34 Å²	34	28.3 Å²	28.3	35%	0.351	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	129.4	4.3	166.8	0	0	0	0	0	116.6	S232 H233 S333	S232-G235 PolarHBondContact O-N 3.14Å; S232-G235 VanDerWaalsContact O-N 3.15Å; H233-G235 PolarHBondContact O-N 3.1Å; G235-S333 WeakPolarHBondContact CA-OG 3.28Å; G235-S333 PolarHBondContact O-N 2.91Å; G235-S333 VanDerWaalsContact O-N 3.11Å; G235-S333 PolarHBondContact O-OG 2.86Å
236	N	95.3	Very high	97.4	Very high	53 Å²	53	32.4 Å²	32.4	28%	0.283	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	146.1	-175.3	-175.7	44.3	0	0	0	111.6	S232 N330 L331	S232-N236 WeakPolarHBondContact CA-O 3.26Å; S232-N236 VanDerWaalsContact CB-O 3.31Å; S232-N236 WeakPolarHBondContact CB-O 3.42Å; S232-N236 PolarHBondContact N-O 3.03Å; S232-N236 PolarHBondContact O-N 2.82Å; N236-N330 PolarHBondContact ND2-OD1 2.89Å; N236-N330 WeakPolarHBondContact OD1-CB 3.48Å; N236-L331 PolarHBondContact OD1-O 2.79Å; N236-L331 VanDerWaalsContact OD1-O 3.11Å
237	I	98	Very high	97.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	115.6	164.1	-59.8	165.6	0	0	0	106.8	I229 E230 V231 V239 L331 L346 M348	I229-I237 HydrophobicContact CG2-CG2 3.76Å; E230-I237 CarbonylContact O-C 3.6Å; E230-I237 WeakPolarHBondContact O-CA 3.39Å; V231-I237 HydrophobicContact CG1-CG1 4.42Å; I237-V239 HydrophobicContact CG2-CG2 4.48Å; I237-L331 HydrophobicContact CB-CB 4.44Å; I237-L331 PolarHBondContact N-O 2.84Å; I237-L331 PolarHBondContact O-N 3.44Å; I237-L346 HydrophobicContact CD1-CD1 3.65Å; I237-M348 HydrophobicContact CD1-SD 4.39Å; I237-M348 HydrophobicContact CG2-CE 4.08Å; I237-M348 HydrophobicContact CG2-SD 3.84Å
238	A	98.3	Very high	97.3	Very high	29 Å²	29	32 Å²	32	24%	0.24	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129	177.2	0	0	0	0	0	109.4	E230	E230-A238 HydrophobicContact CB-CB 4.46Å; E230-A238 PolarHBondContact N-O 3.3Å; E230-A238 PolarHBondContact O-N 2.97Å
239	V	98.5	Very high	97.3	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	127.2	174	-175.1	0	0	0	0	108.3	R227 I228 I229 I237 E241 G328 Y329 L331 M348	R227-V239 HydrophobicContact CG-CG1 4.33Å; I228-V239 CarbonylContact O-C 3.59Å; I228-V239 WeakPolarHBondContact O-CA 3.47Å; I229-V239 HydrophobicContact CG1-CG1 4.43Å; I229-V239 HydrophobicContact CG1-CG2 4.38Å; I237-V239 HydrophobicContact CG2-CG2 4.48Å; V239-E241 HydrophobicContact CG1-CG 4.45Å; V239-G328 CarbonylContact O-C 3.54Å; V239-G328 WeakPolarHBondContact O-CA 3.22Å; V239-Y329 HydrophobicContact CB-CD1 4.4Å; V239-Y329 HydrophobicContact CB-CD2 4.34Å; V239-Y329 HydrophobicContact CB-CE1 3.96Å; V239-Y329 HydrophobicContact CB-CE2 3.92Å; V239-Y329 HydrophobicContact CG1-CE1 3.89Å; V239-Y329 HydrophobicContact CG1-CE2 4.44Å; V239-Y329 HydrophobicContact CG2-CE2 4.09Å; V239-Y329 PolarHBondContact N-O 2.79Å; V239-Y329 PolarHBondContact O-N 2.9Å; V239-L331 HydrophobicContact CG2-CD1 4.17Å; V239-M348 HydrophobicContact CG2-CE 3.87Å
240	E	98.5	Very high	97.2	Very high	42 Å²	42	30.1 Å²	30.1	20%	0.196	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.3	172.5	-171.4	-179.8	69.5	0	0	109.2	I228 Y287 R289 I326	I228-E240 PolarHBondContact N-O 2.86Å; I228-E240 PolarHBondContact O-N 2.85Å; E240-Y287 HydrophobicContact CG-CE2 4.48Å; E240-Y287 WeakPolarHBondContact CG-OH 3.39Å; E240-Y287 PolarHBondContact OE2-OH 3.36Å; E240-R289 IonicContact OE2-CZ 3.49Å; E240-R289 IonicContact OE2-NE 2.87Å; E240-R289 IonicContact OE2-NH2 3.15Å; E240-R289 PolarHBondContact OE2-NH2 2.98Å; E240-I326 HydrophobicContact CG-CG2 3.41Å; E240-I326 VanDerWaalsContact CG-CG2 3.41Å; E240-I326 WeakPolarHBondContact OE2-CG2 3.3Å
241	E	98.4	Very high	97.2	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.009	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.4	177	-61.7	-168.6	131	0	0	110.2	I225 T226 R227 V239 I243 I326 I327	I225-E241 HydrophobicContact CD1-CB 4.28Å; I225-E241 HydrophobicContact CD1-CG 4.41Å; I225-E241 HydrophobicContact CG1-CB 4.46Å; T226-E241 WeakPolarHBondContact O-CA 3.41Å; R227-E241 HydrophobicContact CB-CG 4.16Å; R227-E241 VanDerWaalsContact CD-OE1 3.28Å; R227-E241 WeakPolarHBondContact CD-OE1 3.39Å; R227-E241 HydrophobicContact CG-CG 3.95Å; R227-E241 IonicContact CZ-OE1 2.65Å; R227-E241 IonicContact NE-OE1 2.61Å; R227-E241 IonicContact NH1-OE1 3.87Å; R227-E241 PolarHBondContact NH1-OE1 3.47Å; R227-E241 IonicContact NH1-OE2 2.9Å; V239-E241 HydrophobicContact CG1-CG 4.45Å; E241-I243 HydrophobicContact CB-CD1 4.15Å; E241-I243 HydrophobicContact CB-CG1 4.11Å; E241-I326 VanDerWaalsContact O-CA 3.28Å; E241-I326 WeakPolarHBondContact O-CA 3.29Å; E241-I327 HydrophobicContact CB-CG2 4.01Å; E241-I327 PolarHBondContact N-O 3.28Å; E241-I327 PolarHBondContact O-N 3.06Å
242	T	98.6	Very high	97.2	Very high	32 Å²	32	34.1 Å²	34.1	20%	0.196	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	118.5	170	-55.9	0	0	0	0	108.4	I225 T226 H324 I326	I225-T242 WeakPolarHBondContact CA-O 3.49Å; T226-T242 PolarHBondContact N-O 2.95Å; T226-T242 PolarHBondContact O-N 2.82Å; T242-H324 WeakPolarHBondContact CG2-NE2 3.47Å; T242-I326 HydrophobicContact CG2-CG1 4.19Å
243	I	98.6	Very high	97.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	118.4	-167.7	-56.6	179.4	0	0	0	110.2	I222 I225 E241 M245 H324 Y325 I327 V354	I222-I243 HydrophobicContact CG1-CG2 4.06Å; I222-I243 HydrophobicContact CG2-CG2 4.07Å; I225-I243 HydrophobicContact CD1-CD1 3.94Å; I225-I243 HydrophobicContact CD1-CG1 3.81Å; I225-I243 HydrophobicContact CG1-CG1 3.93Å; E241-I243 HydrophobicContact CB-CD1 4.15Å; E241-I243 HydrophobicContact CB-CG1 4.11Å; I243-M245 HydrophobicContact CG2-CB 4.4Å; I243-H324 WeakPolarHBondContact O-CA 3.12Å; I243-Y325 HydrophobicContact CB-CD1 4.39Å; I243-Y325 HydrophobicContact CB-CD2 4.49Å; I243-Y325 HydrophobicContact CB-CE1 3.93Å; I243-Y325 HydrophobicContact CB-CE2 4.09Å; I243-Y325 HydrophobicContact CD1-CE2 3.73Å; I243-Y325 WeakPolarHBondContact CD1-OH 3.34Å; I243-Y325 HydrophobicContact CG1-CE2 4.29Å; I243-Y325 HydrophobicContact CG2-CE1 3.84Å; I243-Y325 PolarHBondContact N-O 3.36Å; I243-Y325 PolarHBondContact O-N 2.65Å; I243-I327 HydrophobicContact CD1-CG2 4.15Å; I243-V354 HydrophobicContact CD1-CG1 3.89Å; I243-V354 HydrophobicContact CD1-CG2 4.17Å
244	D	98.5	Very high	97.3	Very high	61 Å²	61	40.1 Å²	40.1	33%	0.326	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	114	167	-66.8	-54.5	0	0	0	109.5	I222 S223 S224 H324	I222-D244 CarbonylContact C-O 3.55Å; I222-D244 WeakPolarHBondContact CA-O 3.46Å; S223-D244 PolarHBondContact N-O 2.88Å; S224-D244 PolarHBondContact N-O 2.88Å; S224-D244 PolarHBondContact O-N 2.64Å; S224-D244 WeakPolarHBondContact OG-CB 3.47Å; S224-D244 PolarHBondContact OG-OD2 3.19Å; D244-H324 IonicContact OD1-CD2 2.75Å; D244-H324 PolarHBondContact OD1-CD2 2.81Å; D244-H324 IonicContact OD1-CG 3.1Å
245	M	97.7	Very high	97.3	Very high	2 Å²	2	39 Å²	39	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.4	-177.8	173.4	160.9	25.6	0	0	111.6	L220 T221 I243 F275 K322 T323 Y325 Y355	L220-M245 HydrophobicContact CB-SD 3.95Å; L220-M245 HydrophobicContact CD1-SD 3.59Å; L220-M245 VanDerWaalsContact CD1-SD 3.59Å; L220-M245 HydrophobicContact CD2-CG 4.1Å; L220-M245 HydrophobicContact CD2-SD 3.79Å; L220-M245 HydrophobicContact CG-SD 3.97Å; T221-M245 WeakPolarHBondContact O-CA 3.43Å; I243-M245 HydrophobicContact CG2-CB 4.4Å; M245-F275 HydrophobicContact CE-CD1 4.38Å; M245-F275 HydrophobicContact CE-CE1 3.52Å; M245-F275 HydrophobicContact CE-CE2 3.84Å; M245-F275 HydrophobicContact CE-CZ 3.22Å; M245-F275 HydrophobicContact SD-CE1 4.29Å; M245-F275 HydrophobicContact SD-CZ 4.46Å; M245-K322 CarbonylContact O-C 3.55Å; M245-K322 VanDerWaalsContact O-CA 3.26Å; M245-K322 WeakPolarHBondContact O-CA 3.41Å; M245-T323 HydrophobicContact CB-CG2 3.97Å; M245-T323 HydrophobicContact CE-CG2 4.46Å; M245-T323 HydrophobicContact CG-CG2 4.39Å; M245-T323 PolarHBondContact N-O 2.79Å; M245-T323 PolarHBondContact O-N 2.93Å; M245-T323 VanDerWaalsContact O-O 3.11Å; M245-Y325 HydrophobicContact CE-CE1 3.44Å; M245-Y325 VanDerWaalsContact CE-CE1 3.44Å; M245-Y325 WeakPolarHBondContact CE-OH 3.38Å; M245-Y355 HydrophobicContact SD-CE1 4.5Å
246	R	97.9	Very high	97.5	Very high	87 Å²	87	40.6 Å²	40.6	33%	0.328	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	150.1	177.6	64.4	178	173.1	165.8	-5.9	111.3	T221 S223 T248 W321 K322 D361	T221-R246 PolarHBondContact N-O 3.46Å; T221-R246 PolarHBondContact O-N 2.72Å; S223-R246 VanDerWaalsContact OG-CD 3.29Å; S223-R246 WeakPolarHBondContact OG-CD 3.11Å; S223-R246 WeakPolarHBondContact OG-CG 3.39Å; S223-R246 PolarHBondContact OG-NE 2.88Å; R246-T248 HydrophobicContact CG-CG2 3.84Å; R246-W321 WeakPolarHBondContact CA-O 3.48Å; R246-K322 HydrophobicContact CB-CG 3.91Å; R246-D361 IonicContact CZ-OD2 3.89Å; R246-D361 IonicContact NH2-OD2 2.66Å; R246-D361 PolarHBondContact NH2-OD2 3.5Å
247	H	98.2	Very high	97.6	Very high	3 Å²	3	39.7 Å²	39.7	1%	0.014	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	114.2	169.9	-168.5	-58.4	0	0	0	110.3	F219 G249 S270 L317 F318 G319 G320 W321	F219-H247 CarbonylContact O-C 3.57Å; F219-H247 VanDerWaalsContact O-CA 3.27Å; F219-H247 WeakPolarHBondContact O-CA 3.46Å; F219-H247 PolarHBondContact O-ND1 2.8Å; H247-G249 PolarHBondContact ND1-N 2.91Å; H247-G249 VanDerWaalsContact ND1-N 3.17Å; H247-S270 PolarHBondContact NE2-O 2.9Å; H247-L317 HydrophobicContact CB-CB 4.2Å; H247-L317 PolarHBondContact CD2-O 2.83Å; H247-L317 VanDerWaalsContact CD2-O 3.26Å; H247-F318 WeakPolarHBondContact CB-O 3.41Å; H247-G319 WeakPolarHBondContact ND1-CA 3.03Å; H247-G320 PolarHBondContact O-N 2.79Å; H247-W321 PolarHBondContact N-O 2.99Å
248	T	97.4	Very high	97.5	Very high	34 Å²	34	45.4 Å²	45.4	21%	0.209	24%	0.241	C	C	.	.			trans	-97.6	-1.7	-173.4	48.7	0	0	0	0	114.7	F219 T221 R246	F219-T248 PolarHBondContact O-N 3.01Å; F219-T248 PolarHBondContact O-OG1 2.93Å; T221-T248 HydrophobicContact CG2-CG2 4.48Å; T221-T248 WeakPolarHBondContact OG1-CG2 3.42Å; T221-T248 PolarHBondContact OG1-OG1 2.61Å; T221-T248 VanDerWaalsContact OG1-OG1 3.1Å; R246-T248 HydrophobicContact CG-CG2 3.84Å
249	G	97.1	Very high	97.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-65.1	-170.5	169.6	0	0	0	0	0	114.3	F219 H247 F251	F219-G249 VanDerWaalsContact CB-N 3.31Å; H247-G249 PolarHBondContact ND1-N 2.91Å; H247-G249 VanDerWaalsContact ND1-N 3.17Å; G249-F251 PolarHBondContact O-N 3.3Å
250	A	97.9	Very high	97.1	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.008	27%	0.269	C	S	.	.	S	Bend	trans	-58.4	130.8	-178.9	0	0	0	0	0	111.7	P136 I141 Q147 G319	P136-A250 HydrophobicContact CB-CB 3.84Å; I141-A250 HydrophobicContact CB-CB 4.29Å; I141-A250 HydrophobicContact CD1-CB 3.79Å; I141-A250 HydrophobicContact CG1-CB 3.66Å; I141-A250 HydrophobicContact CG2-CB 3.85Å; Q147-A250 HydrophobicContact CG-CB 4.23Å; A250-G319 WeakPolarHBondContact O-CA 3.41Å
251	F	98	Very high	96.9	Very high	103 Å²	103	52.5 Å²	52.5	45%	0.452	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	142.3	-175.9	-75.9	-99.2	0	0	0	111.9	T139 H140 I141 G249 K253 G319	T139-F251 PolarHBondContact O-N 3.41Å; H140-F251 CarbonylContact C-O 3.53Å; H140-F251 VanDerWaalsContact CA-O 3.26Å; H140-F251 WeakPolarHBondContact CA-O 3.27Å; I141-F251 PolarHBondContact N-O 2.96Å; G249-F251 PolarHBondContact O-N 3.3Å; F251-K253 PolarHBondContact O-N 2.89Å; F251-G319 WeakPolarHBondContact CA-O 3.19Å
252	L	97.5	Very high	96.7	Very high	31 Å²	31	59.1 Å²	59.1	16%	0.162	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	121.7	174.1	-178.7	63.5	0	0	0	110.6	I141 Q143 F256 F318 G319 W321	I141-L252 CarbonylContact O-C 3.59Å; I141-L252 WeakPolarHBondContact O-CA 3.16Å; Q143-L252 HydrophobicContact CB-CD1 4.13Å; L252-F256 HydrophobicContact CD2-CB 4.12Å; L252-F318 HydrophobicContact CB-CB 4.05Å; L252-F318 HydrophobicContact CD1-CD1 3.9Å; L252-F318 HydrophobicContact CD1-CE1 4.32Å; L252-F318 HydrophobicContact CD2-CB 4.2Å; L252-F318 HydrophobicContact CD2-CD1 4.36Å; L252-F318 HydrophobicContact CD2-CG 4.21Å; L252-F318 HydrophobicContact CG-CD1 4.49Å; L252-G319 PolarHBondContact N-O 2.89Å; L252-G319 VanDerWaalsContact N-O 3.15Å; L252-W321 HydrophobicContact CD2-CZ2 3.96Å
253	K	96.4	Very high	96.4	Very high	127 Å²	127	66 Å²	66	55%	0.552	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-101.1	127.5	173.9	-171.7	-178.6	172.6	-173.9	0	110.2	H140 I141 T142 F251	H140-K253 HydrophobicContact CB-CB 4.17Å; H140-K253 HydrophobicContact CB-CD 4.41Å; I141-K253 PolarHBondContact O-N 2.82Å; T142-K253 WeakPolarHBondContact CA-O 3.29Å; T142-K253 HydrophobicContact CG2-CB 4.46Å; F251-K253 PolarHBondContact O-N 2.89Å
254	G	95.4	Very high	95.9	Very high	57 Å²	57	70.6 Å²	70.6	59%	0.588	34%	0.34	S	S	*	.	S	Bend	trans	84	-167.8	178.5	0	0	0	0	0	113
255	P	95.2	Very high	95.1	Very high	120 Å²	120	72.9 Å²	72.9	78%	0.779	36%	0.361	S	S	*	.			trans	-76.5	148.2	-174.4	31.3	-34.6	0	0	0	112.2
256	F	96.8	Very high	94.5	Very high	68 Å²	68	77.3 Å²	77.3	30%	0.298	38%	0.384	S	S	.	.			trans	-83.6	125.3	164	172.1	-107	0	0	0	110.1	L252 R258 Y261 F318 W321	L252-F256 HydrophobicContact CD2-CB 4.12Å; F256-R258 HydrophobicContact CE1-CB 3.99Å; F256-R258 HydrophobicContact CZ-CB 4.31Å; F256-Y261 HydrophobicContact CE2-CD2 4.22Å; F256-Y261 HydrophobicContact CE2-CG 4.1Å; F256-Y261 HydrophobicContact CZ-CG 4.38Å; F256-F318 HydrophobicContact CD2-CD2 4.37Å; F256-F318 AromaticContact CD2-CE2 3.85Å; F256-F318 HydrophobicContact CD2-CE2 3.85Å; F256-F318 HydrophobicContact CD2-CZ 4.27Å; F256-F318 HydrophobicContact CE2-CD2 4.46Å; F256-F318 AromaticContact CE2-CE2 3.65Å; F256-F318 HydrophobicContact CE2-CE2 3.65Å; F256-F318 HydrophobicContact CE2-CZ 4.17Å; F256-W321 HydrophobicContact CB-CH2 4.31Å; F256-W321 HydrophobicContact CB-CZ2 4.27Å; F256-W321 HydrophobicContact CD1-CH2 4.32Å; F256-W321 HydrophobicContact CD2-CH2 4.31Å; F256-W321 HydrophobicContact CG-CH2 4.04Å; F256-W321 HydrophobicContact CG-CZ2 4.48Å
257	S	96.1	Very high	94.1	Very high	33 Å²	33	73.3 Å²	73.3	23%	0.231	37%	0.369	C	S	.	.			trans	-111.4	106.6	174.7	174.5	0	0	0	0	110	Q143 Y259 D260 Y261	Q143-S257 PolarHBondContact NE2-O 3.16Å; S257-Y259 PolarHBondContact O-N 3.34Å; S257-D260 WeakPolarHBondContact CB-OD2 3.47Å; S257-D260 PolarHBondContact O-N 3.26Å; S257-D260 VanDerWaalsContact OG-CG 3.27Å; S257-D260 PolarHBondContact OG-N 2.92Å; S257-D260 PolarHBondContact OG-OD2 2.72Å; S257-Y261 WeakPolarHBondContact O-CB 3.35Å; S257-Y261 PolarHBondContact O-N 2.83Å
258	R	95.5	Very high	93.7	Very high	121 Å²	121	73.3 Å²	73.3	46%	0.457	37%	0.371	S	S	.	.	H	α-helix	trans	-59.5	-35.8	175	-179.3	59.2	134.3	-131.9	-6.7	112.2	F256 Y261 Q262	F256-R258 HydrophobicContact CE1-CB 3.99Å; F256-R258 HydrophobicContact CZ-CB 4.31Å; R258-Y261 PolarHBondContact O-N 2.88Å; R258-Q262 WeakPolarHBondContact O-CG 3.22Å; R258-Q262 PolarHBondContact O-N 2.83Å; R258-Q262 VanDerWaalsContact O-N 3.07Å
259	Y	95.4	Very high	93.5	Very high	137 Å²	137	74.4 Å²	74.4	54%	0.537	37%	0.374	S	S	.	.	H	α-helix	trans	-64.6	-47.7	179.7	172	-92.6	0	0	0	111.4	S257 Y261 Q262 R263	S257-Y259 PolarHBondContact O-N 3.34Å; Y259-Y261 VanDerWaalsContact C-N 3.32Å; Y259-Y261 PolarHBondContact O-N 2.92Å; Y259-Q262 PolarHBondContact O-N 2.81Å; Y259-R263 HydrophobicContact CE2-CG 4.41Å; Y259-R263 WeakPolarHBondContact O-CB 3.27Å; Y259-R263 PolarHBondContact O-N 2.84Å; Y259-R263 VanDerWaalsContact OH-CZ 3.28Å; Y259-R263 PolarHBondContact OH-NH1 2.82Å
260	D	94.1	Very high	93.4	Very high	55 Å²	55	74.7 Å²	74.7	29%	0.294	38%	0.377	S	S	.	.	H	α-helix	trans	-66.8	-38.4	177.8	-62.5	-45.7	0	0	0	110.9	S257 Q262 R263 Q264	S257-D260 WeakPolarHBondContact CB-OD2 3.47Å; S257-D260 PolarHBondContact O-N 3.26Å; S257-D260 VanDerWaalsContact OG-CG 3.27Å; S257-D260 PolarHBondContact OG-N 2.92Å; S257-D260 PolarHBondContact OG-OD2 2.72Å; D260-Q262 VanDerWaalsContact C-N 3.28Å; D260-Q262 PolarHBondContact O-N 3.35Å; D260-R263 PolarHBondContact O-N 2.87Å; D260-Q264 WeakPolarHBondContact O-CB 3.48Å; D260-Q264 PolarHBondContact O-N 2.67Å
261	Y	94.9	Very high	93.3	Very high	28 Å²	28	75.3 Å²	75.3	11%	0.11	38%	0.381	C	S	.	.	H	α-helix	trans	-60.1	-35.2	176.7	-168.5	-104.2	0	0	0	113.8	F256 S257 R258 Y259 S267 S271 K273 P316 F318	F256-Y261 HydrophobicContact CE2-CD2 4.22Å; F256-Y261 HydrophobicContact CE2-CG 4.1Å; F256-Y261 HydrophobicContact CZ-CG 4.38Å; S257-Y261 WeakPolarHBondContact O-CB 3.35Å; S257-Y261 PolarHBondContact O-N 2.83Å; R258-Y261 PolarHBondContact O-N 2.88Å; Y259-Y261 VanDerWaalsContact C-N 3.32Å; Y259-Y261 PolarHBondContact O-N 2.92Å; Y261-S267 WeakPolarHBondContact CA-OG 3.41Å; Y261-S271 WeakPolarHBondContact CE2-OG 3.46Å; Y261-S271 PolarHBondContact OH-OG 3.46Å; Y261-K273 WeakPolarHBondContact OH-CE 3.32Å; Y261-K273 WeakPolarHBondContact OH-CG 3.32Å; Y261-P316 HydrophobicContact CE1-CB 4.33Å; Y261-P316 HydrophobicContact CE1-CG 4.02Å; Y261-P316 WeakPolarHBondContact OH-CB 3.21Å; Y261-F318 HydrophobicContact CD2-CE2 4.09Å; Y261-F318 AromaticContact CD2-CZ 3.76Å; Y261-F318 HydrophobicContact CD2-CZ 3.76Å; Y261-F318 AromaticContact CE2-CE2 3.8Å; Y261-F318 HydrophobicContact CE2-CE2 3.8Å; Y261-F318 AromaticContact CE2-CZ 3.63Å; Y261-F318 HydrophobicContact CE2-CZ 3.63Å
262	Q	92.9	Very high	93.2	Very high	141 Å²	141	70.6 Å²	70.6	66%	0.659	36%	0.36	S	S	*	.	H	α-helix	trans	-87.1	-32.9	-179.6	-73.6	179.4	-38.5	0	0	112.9	R258 Y259 D260	R258-Q262 WeakPolarHBondContact O-CG 3.22Å; R258-Q262 PolarHBondContact O-N 2.83Å; R258-Q262 VanDerWaalsContact O-N 3.07Å; Y259-Q262 PolarHBondContact O-N 2.81Å; D260-Q262 VanDerWaalsContact C-N 3.28Å; D260-Q262 PolarHBondContact O-N 3.35Å
263	R	92.6	Very high	93.1	Very high	177 Å²	177	74.9 Å²	74.9	67%	0.668	38%	0.378	S	S	*	.	H	α-helix	trans	-89.6	-30	-174.8	-75.1	-174.3	61.6	149.7	1.2	114.1	Y259 D260	Y259-R263 HydrophobicContact CE2-CG 4.41Å; Y259-R263 WeakPolarHBondContact O-CB 3.27Å; Y259-R263 PolarHBondContact O-N 2.84Å; Y259-R263 VanDerWaalsContact OH-CZ 3.28Å; Y259-R263 PolarHBondContact OH-NH1 2.82Å; D260-R263 PolarHBondContact O-N 2.87Å
264	Q	88.9	Confident	93.2	Very high	97 Å²	97	70.8 Å²	70.8	45%	0.453	37%	0.365	S	S	.	.			trans	-105.2	118.6	-178.1	-59	179.4	3.8	0	0	108.9	D260 D266 S267	D260-Q264 WeakPolarHBondContact O-CB 3.48Å; D260-Q264 PolarHBondContact O-N 2.67Å; Q264-D266 PolarHBondContact O-N 2.91Å; Q264-S267 PolarHBondContact O-N 3.11Å
265	S	81.6	Confident	93.2	Very high	109 Å²	109	68.9 Å²	68.9	76%	0.762	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-33.4	177.1	52.4	0	0	0	0	112.7	S267	S265-S267 VanDerWaalsContact C-N 3.33Å
266	D	85	Confident	93.3	Very high	94 Å²	94	67.8 Å²	67.8	50%	0.503	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-1	-173.1	-66	14.2	0	0	0	112.2	Q264 I269	Q264-D266 PolarHBondContact O-N 2.91Å; D266-I269 HydrophobicContact CB-CD1 4.14Å; D266-I269 WeakPolarHBondContact O-CD1 3.42Å; D266-I269 VanDerWaalsContact O-CG1 3.28Å; D266-I269 WeakPolarHBondContact O-CG1 3.43Å
267	S	90.1	Very high	93.4	Very high	3 Å²	3	64.6 Å²	64.6	2%	0.021	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	120.5	175	160.3	0	0	0	0	109.9	Q143 Y261 Q264 S265	Q143-S267 WeakPolarHBondContact CG-OG 3.27Å; Q143-S267 PolarHBondContact NE2-OG 3.37Å; Y261-S267 WeakPolarHBondContact CA-OG 3.41Å; Q264-S267 PolarHBondContact O-N 3.11Å; S265-S267 VanDerWaalsContact C-N 3.33Å
268	G	89.6	Confident	93.5	Very high	4 Å²	4	65.5 Å²	65.5	4%	0.041	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	36.7	177.6	0	0	0	0	0	113.8	Q143 S270 S271	Q143-G268 WeakPolarHBondContact O-CA 3.35Å; Q143-G268 PolarHBondContact O-N 3.06Å; G268-S270 PolarHBondContact O-N 2.91Å; G268-S271 VanDerWaalsContact O-CB 3.31Å; G268-S271 WeakPolarHBondContact O-CB 3.35Å; G268-S271 PolarHBondContact O-N 2.83Å; G268-S271 PolarHBondContact O-OG 2.74Å
269	I	93.4	Very high	93.5	Very high	56 Å²	56	59.9 Å²	59.9	29%	0.287	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-41.5	177.5	-62	163.5	0	0	0	111	R146 N216 D266 S271	R146-I269 HydrophobicContact CG-CD1 4.1Å; N216-I269 HydrophobicContact CB-CG2 3.65Å; D266-I269 HydrophobicContact CB-CD1 4.14Å; D266-I269 WeakPolarHBondContact O-CD1 3.42Å; D266-I269 VanDerWaalsContact O-CG1 3.28Å; D266-I269 WeakPolarHBondContact O-CG1 3.43Å; I269-S271 PolarHBondContact O-N 3.01Å
270	S	94.1	Very high	93.6	Very high	7 Å²	7	54.1 Å²	54.1	5%	0.049	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	8.9	178.2	65.8	0	0	0	0	113.6	H247 G268	H247-S270 PolarHBondContact NE2-O 2.9Å; G268-S270 PolarHBondContact O-N 2.91Å
271	S	95.9	Very high	93.6	Very high	14 Å²	14	53.8 Å²	53.8	10%	0.098	28%	0.275	C	S	.	.			trans	-89.2	150.6	177.7	73.4	0	0	0	0	111.4	Y261 G268 I269 L317	Y261-S271 WeakPolarHBondContact CE2-OG 3.46Å; Y261-S271 PolarHBondContact OH-OG 3.46Å; G268-S271 VanDerWaalsContact O-CB 3.31Å; G268-S271 WeakPolarHBondContact O-CB 3.35Å; G268-S271 PolarHBondContact O-N 2.83Å; G268-S271 PolarHBondContact O-OG 2.74Å; I269-S271 PolarHBondContact O-N 3.01Å; S271-L317 CarbonylContact C-O 3.53Å; S271-L317 WeakPolarHBondContact CA-O 3.1Å
272	V	96.6	Very high	93.7	Very high	3 Å²	3	53 Å²	53	2%	0.018	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-100.4	118.9	177.7	-175.9	0	0	0	0	110.5	P218 L220 F275 P316 L317	P218-V272 HydrophobicContact CB-CG2 3.67Å; P218-V272 HydrophobicContact CG-CG2 4.39Å; L220-V272 HydrophobicContact CD1-CG1 3.91Å; L220-V272 HydrophobicContact CD1-CG2 4.39Å; L220-V272 HydrophobicContact CD2-CB 4.25Å; L220-V272 HydrophobicContact CD2-CG1 4.37Å; L220-V272 HydrophobicContact CD2-CG2 3.92Å; L220-V272 HydrophobicContact CG-CG1 4.39Å; L220-V272 HydrophobicContact CG-CG2 4.01Å; V272-F275 HydrophobicContact CG1-CD1 4.28Å; V272-P316 CarbonylContact O-C 3.53Å; V272-P316 VanDerWaalsContact O-CA 3.28Å; V272-P316 WeakPolarHBondContact O-CA 3.38Å; V272-L317 HydrophobicContact CB-CB 4.3Å; V272-L317 PolarHBondContact N-O 2.8Å; V272-L317 PolarHBondContact O-N 2.81Å
273	K	95.4	Very high	93.8	Very high	122 Å²	122	47 Å²	47	53%	0.53	25%	0.247	S	C	.	.			trans	-94	-44	-180	-68.3	173.8	-177.2	172.9	0	112.2	Y261	Y261-K273 WeakPolarHBondContact OH-CE 3.32Å; Y261-K273 WeakPolarHBondContact OH-CG 3.32Å
274	S	96.9	Very high	94	Very high	41 Å²	41	44 Å²	44	29%	0.287	24%	0.241	S	C	.	.			trans	-151.9	163.6	177.9	53.2	0	0	0	0	110	E310 V311	S274-E310 VanDerWaalsContact CB-OE1 3.27Å; S274-E310 WeakPolarHBondContact CB-OE1 3.21Å; S274-E310 PolarHBondContact OG-OE1 2.8Å; S274-V311 WeakPolarHBondContact CA-O 3.42Å; S274-V311 WeakPolarHBondContact CB-O 3.24Å
275	F	96.9	Very high	94.4	Very high	17 Å²	17	44.9 Å²	44.9	8%	0.075	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	162.4	167.9	49.7	-89.9	0	0	0	107.9	L220 M245 V272 V311 P313 Y325	L220-F275 HydrophobicContact CD1-CD1 3.95Å; L220-F275 HydrophobicContact CD1-CG 4.38Å; M245-F275 HydrophobicContact CE-CD1 4.38Å; M245-F275 HydrophobicContact CE-CE1 3.52Å; M245-F275 HydrophobicContact CE-CE2 3.84Å; M245-F275 HydrophobicContact CE-CZ 3.22Å; M245-F275 HydrophobicContact SD-CE1 4.29Å; M245-F275 HydrophobicContact SD-CZ 4.46Å; V272-F275 HydrophobicContact CG1-CD1 4.28Å; F275-V311 HydrophobicContact CD2-CB 4.18Å; F275-V311 HydrophobicContact CE1-CG1 4.45Å; F275-V311 HydrophobicContact CE2-CB 3.68Å; F275-V311 HydrophobicContact CE2-CG1 3.87Å; F275-V311 HydrophobicContact CE2-CG2 4.26Å; F275-V311 HydrophobicContact CZ-CB 3.93Å; F275-V311 HydrophobicContact CZ-CG1 3.65Å; F275-V311 PolarHBondContact N-O 3.31Å; F275-V311 VanDerWaalsContact N-O 3.17Å; F275-V311 PolarHBondContact O-N 2.98Å; F275-P313 HydrophobicContact CE1-CG 3.92Å; F275-Y325 HydrophobicContact CZ-CE1 4.13Å
276	K	97.3	Very high	95.1	Very high	97 Å²	97	41.6 Å²	41.6	42%	0.422	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	134.2	-179.7	-66.1	-173.4	172.3	-162.1	0	110.2	E308 V309 H353 V354 Y355	K276-E308 IonicContact NZ-OE2 3.36Å; K276-E308 PolarHBondContact NZ-OE2 2.78Å; K276-V309 WeakPolarHBondContact CA-O 3.29Å; K276-H353 PolarHBondContact O-CE1 3.34Å; K276-V354 CarbonylContact C-O 3.56Å; K276-V354 VanDerWaalsContact O-O 3.05Å; K276-Y355 WeakPolarHBondContact O-CA 3.37Å
277	T	97.8	Very high	95.8	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	137.9	169.6	-57.9	0	0	0	0	107.9	L279 V309 I327 H353 V354	T277-L279 HydrophobicContact CG2-CD2 3.75Å; T277-L279 HydrophobicContact CG2-CG 4.36Å; T277-V309 PolarHBondContact N-O 2.81Å; T277-V309 PolarHBondContact O-N 3.06Å; T277-I327 HydrophobicContact CG2-CD1 4.39Å; T277-H353 WeakPolarHBondContact CG2-O 3.27Å; T277-V354 VanDerWaalsContact CA-O 3.29Å; T277-V354 WeakPolarHBondContact CA-O 3.48Å; T277-V354 WeakPolarHBondContact CB-O 3.38Å; T277-V354 PolarHBondContact OG1-O 3.38Å
278	I	97.8	Very high	96.1	Very high	52 Å²	52	41.5 Å²	41.5	27%	0.267	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	110.5	179	-58.4	175.8	0	0	0	106.7	H353	I278-H353 HydrophobicContact CB-CB 4.25Å; I278-H353 PolarHBondContact N-ND1 3.34Å; I278-H353 VanDerWaalsContact N-ND1 3.18Å
279	L	97.4	Very high	96.5	Very high	2 Å²	2	46 Å²	46	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	158.8	176.5	-56.7	-178.2	0	0	0	110.1	T277 A283 V286 V307 V309 Y329	T277-L279 HydrophobicContact CG2-CD2 3.75Å; T277-L279 HydrophobicContact CG2-CG 4.36Å; L279-A283 HydrophobicContact CB-CB 3.95Å; L279-A283 HydrophobicContact CD1-CB 4.32Å; L279-V286 HydrophobicContact CD1-CG1 3.91Å; L279-V286 HydrophobicContact CD1-CG2 3.84Å; L279-V307 HydrophobicContact CB-CB 4.23Å; L279-V307 PolarHBondContact N-O 3.44Å; L279-V307 PolarHBondContact O-N 3.4Å; L279-V309 HydrophobicContact CD1-CG2 3.7Å; L279-V309 HydrophobicContact CG-CG2 4.13Å; L279-Y329 HydrophobicContact CD1-CD1 4.18Å; L279-Y329 HydrophobicContact CD1-CG 4.34Å; L279-Y329 HydrophobicContact CD2-CD1 4.03Å; L279-Y329 HydrophobicContact CD2-CE1 3.73Å
280	P	96.4	Very high	96.6	Very high	16 Å²	16	44.4 Å²	44.4	10%	0.104	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	148.1	172.1	-22.3	32.4	0	0	0	112.5	S282 A283 Y329 L331 Y336	P280-S282 PolarHBondContact O-N 3.01Å; P280-S282 VanDerWaalsContact O-N 3.08Å; P280-A283 WeakPolarHBondContact O-CB 3.41Å; P280-A283 PolarHBondContact O-N 2.95Å; P280-Y329 HydrophobicContact CG-CE2 4.39Å; P280-L331 HydrophobicContact CB-CD2 4.05Å; P280-L331 HydrophobicContact CG-CD2 4.27Å; P280-Y336 WeakPolarHBondContact CB-OH 3.36Å
281	A	94.8	Very high	96.6	Very high	48 Å²	48	51.5 Å²	51.5	40%	0.397	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-29.6	-176.7	0	0	0	0	0	114	A283	A281-A283 VanDerWaalsContact C-N 3.33Å
282	S	95.3	Very high	96.6	Very high	13 Å²	13	57.3 Å²	57.3	9%	0.091	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	7.7	-179.3	55.9	0	0	0	0	114.4	P280 Q284 P332 E335	P280-S282 PolarHBondContact O-N 3.01Å; P280-S282 VanDerWaalsContact O-N 3.08Å; S282-Q284 PolarHBondContact O-N 3.29Å; S282-P332 WeakPolarHBondContact O-CD 3.41Å; S282-E335 WeakPolarHBondContact CB-OE2 3.49Å; S282-E335 PolarHBondContact OG-OE2 2.74Å
283	A	96.9	Very high	96.6	Very high	13 Å²	13	58.6 Å²	58.6	11%	0.107	30%	0.3	C	S	.	.			trans	-62	124.2	176.9	0	0	0	0	0	111.7	L279 P280 A281 V286 V307 Y329 N330 L331	L279-A283 HydrophobicContact CB-CB 3.95Å; L279-A283 HydrophobicContact CD1-CB 4.32Å; P280-A283 WeakPolarHBondContact O-CB 3.41Å; P280-A283 PolarHBondContact O-N 2.95Å; A281-A283 VanDerWaalsContact C-N 3.33Å; A283-V286 HydrophobicContact CB-CG2 4.42Å; A283-V307 HydrophobicContact CB-CG2 4.43Å; A283-Y329 HydrophobicContact CB-CD2 3.92Å; A283-Y329 HydrophobicContact CB-CG 4.36Å; A283-N330 WeakPolarHBondContact CA-O 3.43Å; A283-L331 HydrophobicContact CB-CD2 4.27Å
284	Q	95.6	Very high	96.7	Very high	116 Å²	116	58.1 Å²	58.1	54%	0.542	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	163.7	177.5	-66	179.6	8	0	0	110.3	S282 V286 N330	S282-Q284 PolarHBondContact O-N 3.29Å; Q284-V286 PolarHBondContact O-N 3.34Å; Q284-V286 VanDerWaalsContact O-N 3.14Å; Q284-N330 PolarHBondContact N-O 3.13Å; Q284-N330 PolarHBondContact O-N 3.06Å
285	D	96.7	Very high	96.7	Very high	114 Å²	114	56.3 Å²	56.3	61%	0.61	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.3	40.3	175.7	-53.2	-37.6	0	0	0	114.4	Y287 N330	D285-Y287 WeakPolarHBondContact O-CD1 3.39Å; D285-Y287 PolarHBondContact O-N 3.25Å; D285-N330 HydrophobicContact CB-CB 4.49Å; D285-N330 PolarHBondContact OD2-ND2 3.18Å
286	V	97.9	Very high	96.7	Very high	41 Å²	41	60.5 Å²	60.5	25%	0.248	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	125.2	-178.9	-173.4	0	0	0	0	110	L279 A283 Q284 L300 V309 I327 G328	L279-V286 HydrophobicContact CD1-CG1 3.91Å; L279-V286 HydrophobicContact CD1-CG2 3.84Å; A283-V286 HydrophobicContact CB-CG2 4.42Å; Q284-V286 PolarHBondContact O-N 3.34Å; Q284-V286 VanDerWaalsContact O-N 3.14Å; V286-L300 HydrophobicContact CB-CD1 3.79Å; V286-L300 HydrophobicContact CG1-CD1 4.31Å; V286-L300 HydrophobicContact CG2-CD1 3.68Å; V286-V309 HydrophobicContact CG1-CG2 4.38Å; V286-I327 HydrophobicContact CG1-CG1 4.45Å; V286-G328 CarbonylContact C-O 3.59Å; V286-G328 VanDerWaalsContact CA-O 3.31Å; V286-G328 WeakPolarHBondContact CA-O 3.23Å
287	Y	97.9	Very high	96.7	Very high	87 Å²	87	58.9 Å²	58.9	34%	0.341	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.6	172	60.1	-91.1	0	0	0	111.5	E240 D285 R289 I326 I327 G328	E240-Y287 HydrophobicContact CG-CE2 4.48Å; E240-Y287 WeakPolarHBondContact CG-OH 3.39Å; E240-Y287 PolarHBondContact OE2-OH 3.36Å; D285-Y287 WeakPolarHBondContact O-CD1 3.39Å; D285-Y287 PolarHBondContact O-N 3.25Å; Y287-R289 HydrophobicContact CD2-CG 4.28Å; Y287-I326 HydrophobicContact CE2-CG2 4.28Å; Y287-I327 WeakPolarHBondContact O-CA 3.31Å; Y287-G328 WeakPolarHBondContact CD1-O 3.19Å; Y287-G328 PolarHBondContact N-O 2.83Å; Y287-G328 PolarHBondContact O-N 2.84Å
288	Y	98.1	Very high	96.6	Very high	8 Å²	8	61.6 Å²	61.6	3%	0.031	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	113.3	178.9	172.8	-129.3	0	0	0	109.4	N294 I295 V311 Y325	Y288-N294 PolarHBondContact O-OD1 3.13Å; Y288-I295 HydrophobicContact CD1-CB 3.68Å; Y288-I295 HydrophobicContact CD1-CG2 3.86Å; Y288-I295 HydrophobicContact CE1-CB 3.49Å; Y288-I295 VanDerWaalsContact CE1-CB 3.49Å; Y288-I295 HydrophobicContact CE1-CD1 3.91Å; Y288-I295 HydrophobicContact CE1-CG1 4.3Å; Y288-I295 HydrophobicContact CE1-CG2 3.28Å; Y288-I295 HydrophobicContact CE2-CD1 4.08Å; Y288-I295 HydrophobicContact CG-CB 4.46Å; Y288-I295 PolarHBondContact O-N 3.36Å; Y288-I295 VanDerWaalsContact O-N 3.14Å; Y288-V311 HydrophobicContact CD1-CG1 4.48Å; Y288-V311 HydrophobicContact CD2-CG1 4.33Å; Y288-V311 HydrophobicContact CE1-CG1 3.8Å; Y288-V311 HydrophobicContact CE2-CG1 3.64Å; Y288-V311 WeakPolarHBondContact OH-CG1 3.46Å; Y288-Y325 AromaticContact CD2-CD2 3.92Å; Y288-Y325 HydrophobicContact CD2-CD2 3.92Å; Y288-Y325 HydrophobicContact CD2-CG 4.48Å; Y288-Y325 AromaticContact CE2-CD2 3.44Å; Y288-Y325 HydrophobicContact CE2-CD2 3.44Å; Y288-Y325 VanDerWaalsContact CE2-CD2 3.44Å; Y288-Y325 HydrophobicContact CE2-CE2 4.2Å; Y288-Y325 AromaticContact CE2-CG 3.64Å; Y288-Y325 HydrophobicContact CE2-CG 3.64Å
289	R	97.9	Very high	96.6	Very high	99 Å²	99	64.4 Å²	64.4	37%	0.374	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	166.9	-173	67	-176.8	-179.4	139.3	-4.3	111.5	E240 Y287 G293 Y325 I326	E240-R289 IonicContact OE2-CZ 3.49Å; E240-R289 IonicContact OE2-NE 2.87Å; E240-R289 IonicContact OE2-NH2 3.15Å; E240-R289 PolarHBondContact OE2-NH2 2.98Å; Y287-R289 HydrophobicContact CD2-CG 4.28Å; R289-G293 WeakPolarHBondContact CA-O 2.92Å; R289-G293 WeakPolarHBondContact CB-O 3.4Å; R289-Y325 WeakPolarHBondContact O-CA 3.4Å; R289-I326 HydrophobicContact CG-CB 3.88Å; R289-I326 HydrophobicContact CG-CG2 4.39Å; R289-I326 PolarHBondContact N-O 2.9Å; R289-I326 PolarHBondContact O-N 2.79Å
290	D	95.8	Very high	96.6	Very high	22 Å²	22	68 Å²	68	12%	0.118	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	-174.1	164.4	63.4	5.8	0	0	0	110.8	I292 G293 I295 R314	D290-I292 PolarHBondContact O-N 3.03Å; D290-I292 VanDerWaalsContact O-N 3.15Å; D290-I292 WeakPolarHBondContact OD1-CG1 3.38Å; D290-I292 PolarHBondContact OD1-N 3.05Å; D290-G293 PolarHBondContact N-O 3.21Å; D290-G293 PolarHBondContact O-N 3.02Å; D290-G293 VanDerWaalsContact O-N 3.14Å; D290-G293 PolarHBondContact OD1-N 3.04Å; D290-I295 HydrophobicContact CB-CD1 3.89Å; D290-I295 HydrophobicContact CB-CG1 4.47Å; D290-R314 IonicContact OD1-CZ 3.83Å; D290-R314 IonicContact OD1-NE 2.89Å; D290-R314 IonicContact OD1-NH2 2.92Å; D290-R314 PolarHBondContact OD1-NH2 3.35Å; D290-R314 WeakPolarHBondContact OD2-CD 2.95Å; D290-R314 IonicContact OD2-CZ 3.53Å; D290-R314 IonicContact OD2-NE 3.95Å; D290-R314 PolarHBondContact OD2-NE 2.82Å; D290-R314 IonicContact OD2-NH2 2.97Å; D290-R314 PolarHBondContact OD2-NH2 2.86Å
291	E	94.3	Very high	96.6	Very high	155 Å²	155	71.6 Å²	71.6	72%	0.724	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-27.7	179.8	-68	-179.1	-173.3	0	0	113.6	H324	E291-H324 WeakPolarHBondContact CG-ND1 3.33Å; E291-H324 IonicContact OE1-CE1 2.86Å; E291-H324 PolarHBondContact OE1-CE1 3.14Å; E291-H324 IonicContact OE1-ND1 3.7Å; E291-H324 PolarHBondContact OE1-ND1 2.78Å
292	I	95.9	Very high	96.7	Very high	137 Å²	137	75.4 Å²	75.4	70%	0.703	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	1.5	-176.4	65.2	168.4	0	0	0	113	D290	D290-I292 PolarHBondContact O-N 3.03Å; D290-I292 VanDerWaalsContact O-N 3.15Å; D290-I292 WeakPolarHBondContact OD1-CG1 3.38Å; D290-I292 PolarHBondContact OD1-N 3.05Å
293	G	96.2	Very high	96.7	Very high	30 Å²	30	77.8 Å²	77.8	31%	0.309	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	129.8	-156.6	169.4	0	0	0	0	0	114.1	R289 D290	R289-G293 WeakPolarHBondContact CA-O 2.92Å; R289-G293 WeakPolarHBondContact CB-O 3.4Å; D290-G293 PolarHBondContact N-O 3.21Å; D290-G293 PolarHBondContact O-N 3.02Å; D290-G293 VanDerWaalsContact O-N 3.14Å; D290-G293 PolarHBondContact OD1-N 3.04Å
294	N	97.3	Very high	96.4	Very high	111 Å²	111	86 Å²	86	59%	0.594	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	144.9	-175.8	-168.2	61.6	0	0	0	112	Y288 R314	Y288-N294 PolarHBondContact O-OD1 3.13Å; N294-R314 PolarHBondContact O-NH2 2.7Å
295	I	97.4	Very high	96.3	Very high	4 Å²	4	87.4 Å²	87.4	2%	0.021	46%	0.456	C	S	.	.			trans	-111.5	109.9	168.7	-59.3	172.3	0	0	0	107.9	Y288 D290 T297 R314	Y288-I295 HydrophobicContact CD1-CB 3.68Å; Y288-I295 HydrophobicContact CD1-CG2 3.86Å; Y288-I295 HydrophobicContact CE1-CB 3.49Å; Y288-I295 VanDerWaalsContact CE1-CB 3.49Å; Y288-I295 HydrophobicContact CE1-CD1 3.91Å; Y288-I295 HydrophobicContact CE1-CG1 4.3Å; Y288-I295 HydrophobicContact CE1-CG2 3.28Å; Y288-I295 HydrophobicContact CE2-CD1 4.08Å; Y288-I295 HydrophobicContact CG-CB 4.46Å; Y288-I295 PolarHBondContact O-N 3.36Å; Y288-I295 VanDerWaalsContact O-N 3.14Å; D290-I295 HydrophobicContact CB-CD1 3.89Å; D290-I295 HydrophobicContact CB-CG1 4.47Å; I295-T297 WeakPolarHBondContact CG2-OG1 3.28Å; I295-T297 PolarHBondContact O-N 2.95Å; I295-R314 HydrophobicContact CD1-CG 4.23Å; I295-R314 HydrophobicContact CG1-CG 4.23Å
296	S	96.3	Very high	96.3	Very high	105 Å²	105	83 Å²	83	73%	0.734	43%	0.434	S	S	*	.			trans	-81	-1.6	-177.2	62	0	0	0	0	114.1	S298	S296-S298 VanDerWaalsContact C-N 3.35Å; S296-S298 PolarHBondContact O-N 2.82Å
297	T	96.4	Very high	96.3	Very high	63 Å²	63	81.2 Å²	81.2	39%	0.387	42%	0.423	S	S	.	.			trans	-92.3	68.2	179.9	49.9	0	0	0	0	110.3	I295 R312	I295-T297 WeakPolarHBondContact CG2-OG1 3.28Å; I295-T297 PolarHBondContact O-N 2.95Å; T297-R312 VanDerWaalsContact O-CB 3.29Å; T297-R312 WeakPolarHBondContact O-CB 2.98Å; T297-R312 PolarHBondContact O-N 3.19Å; T297-R312 VanDerWaalsContact O-N 3.1Å; T297-R312 PolarHBondContact OG1-O 3.49Å
298	S	96.4	Very high	96.3	Very high	57 Å²	57	79.1 Å²	79.1	40%	0.399	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	154.6	170.5	55.1	0	0	0	0	110.3	S296 E310	S296-S298 VanDerWaalsContact C-N 3.35Å; S296-S298 PolarHBondContact O-N 2.82Å; S298-E310 CarbonylContact C-O 3.54Å; S298-E310 VanDerWaalsContact CA-O 3.24Å; S298-E310 WeakPolarHBondContact CA-O 3.17Å
299	H	97.4	Very high	96.3	Very high	112 Å²	112	78.9 Å²	78.9	52%	0.519	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	114.1	174.5	-178.5	-88.7	0	0	0	109.5	E310	H299-E310 HydrophobicContact CB-CB 4.21Å; H299-E310 PolarHBondContact N-O 2.78Å; H299-E310 PolarHBondContact O-N 2.91Å
300	L	96.6	Very high	96.3	Very high	76 Å²	76	76.2 Å²	76.2	40%	0.398	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.5	179.3	-175.8	154.4	0	0	0	109.7	V286 I302 V307 E308 V309	V286-L300 HydrophobicContact CB-CD1 3.79Å; V286-L300 HydrophobicContact CG1-CD1 4.31Å; V286-L300 HydrophobicContact CG2-CD1 3.68Å; L300-I302 HydrophobicContact CD2-CD1 4.33Å; L300-I302 HydrophobicContact CD2-CG1 3.61Å; L300-V307 HydrophobicContact CD1-CG1 3.85Å; L300-V307 HydrophobicContact CD2-CG1 3.77Å; L300-V307 HydrophobicContact CG-CG1 3.64Å; L300-E308 CarbonylContact C-O 3.53Å; L300-E308 WeakPolarHBondContact CA-O 3.4Å; L300-V309 HydrophobicContact CD1-CG2 4.2Å; L300-V309 HydrophobicContact CG-CG2 4.24Å
301	Q	97.2	Very high	96.3	Very high	92 Å²	92	75.1 Å²	75.1	43%	0.43	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	119.3	175.8	-178.7	173.2	-6.9	0	0	109.4	L303 E308	Q301-L303 HydrophobicContact CG-CD2 4.07Å; Q301-E308 HydrophobicContact CB-CB 4.43Å; Q301-E308 PolarHBondContact N-O 2.75Å; Q301-E308 PolarHBondContact O-N 2.9Å
302	I	96.4	Very high	96.5	Very high	129 Å²	129	73.5 Å²	73.5	66%	0.662	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	122.7	176	-54.9	174.1	0	0	0	107.8	L300 V307	L300-I302 HydrophobicContact CD2-CD1 4.33Å; L300-I302 HydrophobicContact CD2-CG1 3.61Å; I302-V307 HydrophobicContact CG2-CG2 4.46Å
303	L	95.5	Very high	96.6	Very high	63 Å²	63	67.4 Å²	67.4	33%	0.33	36%	0.358	S	S	.	.			trans	-108.2	176.6	173.9	-57.7	175.3	0	0	0	109.6	Q301 S306 E308	Q301-L303 HydrophobicContact CG-CD2 4.07Å; L303-S306 CarbonylContact C-O 3.54Å; L303-S306 WeakPolarHBondContact CA-O 3.33Å; L303-S306 VanDerWaalsContact CB-O 3.32Å; L303-S306 WeakPolarHBondContact CB-O 3.36Å; L303-S306 PolarHBondContact N-O 2.92Å; L303-E308 HydrophobicContact CD1-CG 3.73Å; L303-E308 WeakPolarHBondContact CD1-OE1 3.45Å
304	E	91.9	Very high	96.6	Very high	185 Å²	185	71.3 Å²	71.3	86%	0.864	36%	0.364	S	S	*	.	S	Bend	trans	-65.8	-43.4	178.9	-66.1	-176.3	172.5	0	0	111.8
305	D	93.8	Very high	96.5	Very high	146 Å²	146	70 Å²	70	78%	0.781	35%	0.353	S	S	*	.	S	Bend	trans	-107.4	-2.9	-173	-60.9	-35.9	0	0	0	114.2
306	S	96.1	Very high	96.5	Very high	21 Å²	21	70.4 Å²	70.4	15%	0.147	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	169.7	-177.3	60.5	0	0	0	0	113.1	L303	L303-S306 CarbonylContact C-O 3.54Å; L303-S306 WeakPolarHBondContact CA-O 3.33Å; L303-S306 VanDerWaalsContact CB-O 3.32Å; L303-S306 WeakPolarHBondContact CB-O 3.36Å; L303-S306 PolarHBondContact N-O 2.92Å
307	V	97.4	Very high	96.6	Very high	3 Å²	3	65.4 Å²	65.4	2%	0.018	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	113	167.7	178.1	0	0	0	0	108.3	L279 A283 L300 I302 V309	L279-V307 HydrophobicContact CB-CB 4.23Å; L279-V307 PolarHBondContact N-O 3.44Å; L279-V307 PolarHBondContact O-N 3.4Å; A283-V307 HydrophobicContact CB-CG2 4.43Å; L300-V307 HydrophobicContact CD1-CG1 3.85Å; L300-V307 HydrophobicContact CD2-CG1 3.77Å; L300-V307 HydrophobicContact CG-CG1 3.64Å; I302-V307 HydrophobicContact CG2-CG2 4.46Å; V307-V309 HydrophobicContact CG1-CG2 4.37Å
308	E	97.6	Very high	96.6	Very high	43 Å²	43	62.7 Å²	62.7	20%	0.201	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	133.2	174.6	-78.5	-171.2	-162	0	0	110.5	K276 L300 Q301 L303	K276-E308 IonicContact NZ-OE2 3.36Å; K276-E308 PolarHBondContact NZ-OE2 2.78Å; L300-E308 CarbonylContact C-O 3.53Å; L300-E308 WeakPolarHBondContact CA-O 3.4Å; Q301-E308 HydrophobicContact CB-CB 4.43Å; Q301-E308 PolarHBondContact N-O 2.75Å; Q301-E308 PolarHBondContact O-N 2.9Å; L303-E308 HydrophobicContact CD1-CG 3.73Å; L303-E308 WeakPolarHBondContact CD1-OE1 3.45Å
309	V	97.8	Very high	96.6	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.018	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	107.6	174.3	-173.2	0	0	0	0	108.8	K276 T277 L279 V286 L300 V307 V311	K276-V309 WeakPolarHBondContact CA-O 3.29Å; T277-V309 PolarHBondContact N-O 2.81Å; T277-V309 PolarHBondContact O-N 3.06Å; L279-V309 HydrophobicContact CD1-CG2 3.7Å; L279-V309 HydrophobicContact CG-CG2 4.13Å; V286-V309 HydrophobicContact CG1-CG2 4.38Å; L300-V309 HydrophobicContact CD1-CG2 4.2Å; L300-V309 HydrophobicContact CG-CG2 4.24Å; V307-V309 HydrophobicContact CG1-CG2 4.37Å; V309-V311 HydrophobicContact CG1-CG2 3.97Å; V309-V311 PolarHBondContact O-N 2.98Å
310	E	98.1	Very high	96.6	Very high	43 Å²	43	56.1 Å²	56.1	20%	0.201	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	115	167.6	-169.9	-169.4	166.6	0	0	108.6	S274 S298 H299 R312	S274-E310 VanDerWaalsContact CB-OE1 3.27Å; S274-E310 WeakPolarHBondContact CB-OE1 3.21Å; S274-E310 PolarHBondContact OG-OE1 2.8Å; S298-E310 CarbonylContact C-O 3.54Å; S298-E310 VanDerWaalsContact CA-O 3.24Å; S298-E310 WeakPolarHBondContact CA-O 3.17Å; H299-E310 HydrophobicContact CB-CB 4.21Å; H299-E310 PolarHBondContact N-O 2.78Å; H299-E310 PolarHBondContact O-N 2.91Å; E310-R312 IonicContact OE1-CZ 3.64Å; E310-R312 VanDerWaalsContact OE1-CZ 3.29Å; E310-R312 IonicContact OE1-NE 2.69Å; E310-R312 PolarHBondContact OE1-NE 2.83Å; E310-R312 IonicContact OE1-NH2 2.81Å; E310-R312 PolarHBondContact OE1-NH2 2.89Å; E310-R312 IonicContact OE2-NH2 3.83Å
311	V	97.2	Very high	96.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	123.9	-179.3	179.9	0	0	0	0	109.1	S274 F275 Y288 V309	S274-V311 WeakPolarHBondContact CA-O 3.42Å; S274-V311 WeakPolarHBondContact CB-O 3.24Å; F275-V311 HydrophobicContact CD2-CB 4.18Å; F275-V311 HydrophobicContact CE1-CG1 4.45Å; F275-V311 HydrophobicContact CE2-CB 3.68Å; F275-V311 HydrophobicContact CE2-CG1 3.87Å; F275-V311 HydrophobicContact CE2-CG2 4.26Å; F275-V311 HydrophobicContact CZ-CB 3.93Å; F275-V311 HydrophobicContact CZ-CG1 3.65Å; F275-V311 PolarHBondContact N-O 3.31Å; F275-V311 VanDerWaalsContact N-O 3.17Å; F275-V311 PolarHBondContact O-N 2.98Å; Y288-V311 HydrophobicContact CD1-CG1 4.48Å; Y288-V311 HydrophobicContact CD2-CG1 4.33Å; Y288-V311 HydrophobicContact CE1-CG1 3.8Å; Y288-V311 HydrophobicContact CE2-CG1 3.64Å; Y288-V311 WeakPolarHBondContact OH-CG1 3.46Å; V309-V311 HydrophobicContact CG1-CG2 3.97Å; V309-V311 PolarHBondContact O-N 2.98Å
312	R	97.8	Very high	96.7	Very high	121 Å²	121	58.4 Å²	58.4	46%	0.457	28%	0.279	S	S	.	.			trans	-114.7	111.2	171.2	-73.2	166.2	-175.9	-165.8	5.9	109.4	T297 E310	T297-R312 VanDerWaalsContact O-CB 3.29Å; T297-R312 WeakPolarHBondContact O-CB 2.98Å; T297-R312 PolarHBondContact O-N 3.19Å; T297-R312 VanDerWaalsContact O-N 3.1Å; T297-R312 PolarHBondContact OG1-O 3.49Å; E310-R312 IonicContact OE1-CZ 3.64Å; E310-R312 VanDerWaalsContact OE1-CZ 3.29Å; E310-R312 IonicContact OE1-NE 2.69Å; E310-R312 PolarHBondContact OE1-NE 2.83Å; E310-R312 IonicContact OE1-NH2 2.81Å; E310-R312 PolarHBondContact OE1-NH2 2.89Å; E310-R312 IonicContact OE2-NH2 3.83Å
313	P	97.1	Very high	96.8	Very high	9 Å²	9	53 Å²	53	6%	0.058	25%	0.252	C	S	.	.			trans	-57.3	160.5	170.6	-21.7	32.6	0	0	0	111.7	F275 F315 L317 T323	F275-P313 HydrophobicContact CE1-CG 3.92Å; P313-F315 PolarHBondContact O-N 2.85Å; P313-L317 HydrophobicContact CG-CD1 4.4Å; P313-T323 HydrophobicContact CG-CG2 4.46Å
314	R	96.4	Very high	96.9	Very high	111 Å²	111	52.2 Å²	52.2	42%	0.419	25%	0.246	S	C	.	.	S	Bend	trans	-57.2	-24.8	-179.5	-68.4	-166.5	-176	-85.1	-5.5	113.8	D290 N294 I295	D290-R314 IonicContact OD1-CZ 3.83Å; D290-R314 IonicContact OD1-NE 2.89Å; D290-R314 IonicContact OD1-NH2 2.92Å; D290-R314 PolarHBondContact OD1-NH2 3.35Å; D290-R314 WeakPolarHBondContact OD2-CD 2.95Å; D290-R314 IonicContact OD2-CZ 3.53Å; D290-R314 IonicContact OD2-NE 3.95Å; D290-R314 PolarHBondContact OD2-NE 2.82Å; D290-R314 IonicContact OD2-NH2 2.97Å; D290-R314 PolarHBondContact OD2-NH2 2.86Å; N294-R314 PolarHBondContact O-NH2 2.7Å; I295-R314 HydrophobicContact CD1-CG 4.23Å; I295-R314 HydrophobicContact CG1-CG 4.23Å
315	F	96.3	Very high	97.2	Very high	84 Å²	84	43.4 Å²	43.4	37%	0.368	21%	0.205	S	C	.	.	S	Bend	trans	-142.2	149.2	177.4	49.7	-95.8	0	0	0	109.9	P313 L317 W321 K322	P313-F315 PolarHBondContact O-N 2.85Å; F315-L317 HydrophobicContact CD2-CD2 4.09Å; F315-L317 HydrophobicContact CE2-CD2 3.7Å; F315-W321 HydrophobicContact CB-CZ3 4.46Å; F315-W321 AromaticContact CD2-CE3 3.55Å; F315-W321 HydrophobicContact CD2-CE3 3.55Å; F315-W321 AromaticContact CD2-CZ3 3.86Å; F315-W321 HydrophobicContact CD2-CZ3 3.86Å; F315-W321 AromaticContact CE2-CE3 3.93Å; F315-W321 HydrophobicContact CE2-CE3 3.93Å; F315-W321 HydrophobicContact CG-CZ3 4.49Å; F315-K322 WeakPolarHBondContact CZ-O 3.49Å
316	P	96.5	Very high	97.4	Very high	12 Å²	12	37.4 Å²	37.4	8%	0.078	17%	0.173	C	C	.	.			trans	-62.7	142.4	174.7	28.2	-35	0	0	0	109.9	Y261 V272 F318 W321	Y261-P316 HydrophobicContact CE1-CB 4.33Å; Y261-P316 HydrophobicContact CE1-CG 4.02Å; Y261-P316 WeakPolarHBondContact OH-CB 3.21Å; V272-P316 CarbonylContact O-C 3.53Å; V272-P316 VanDerWaalsContact O-CA 3.28Å; V272-P316 WeakPolarHBondContact O-CA 3.38Å; P316-F318 HydrophobicContact CG-CE2 4.36Å; P316-W321 WeakPolarHBondContact O-CZ3 3.43Å
317	L	97.8	Very high	97.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-90.4	113.8	-179.4	-57.7	173	0	0	0	109.5	L220 H247 S271 V272 P313 F315 W321 T323	L220-L317 HydrophobicContact CD2-CD1 3.87Å; H247-L317 HydrophobicContact CB-CB 4.2Å; H247-L317 PolarHBondContact CD2-O 2.83Å; H247-L317 VanDerWaalsContact CD2-O 3.26Å; S271-L317 CarbonylContact C-O 3.53Å; S271-L317 WeakPolarHBondContact CA-O 3.1Å; V272-L317 HydrophobicContact CB-CB 4.3Å; V272-L317 PolarHBondContact N-O 2.8Å; V272-L317 PolarHBondContact O-N 2.81Å; P313-L317 HydrophobicContact CG-CD1 4.4Å; F315-L317 HydrophobicContact CD2-CD2 4.09Å; F315-L317 HydrophobicContact CE2-CD2 3.7Å; L317-W321 HydrophobicContact CD2-CB 4.24Å; L317-T323 HydrophobicContact CD1-CG2 3.88Å; L317-T323 HydrophobicContact CD2-CG2 4.27Å
318	F	97.7	Very high	97.6	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.026	17%	0.165	C	C	.	.			trans	-93.2	163	164.1	-80	-98.3	0	0	0	110.1	Q143 H247 L252 F256 Y261 P316 G320 W321	Q143-F318 HydrophobicContact CB-CE1 4.47Å; Q143-F318 HydrophobicContact CG-CE1 3.95Å; Q143-F318 HydrophobicContact CG-CZ 3.95Å; H247-F318 WeakPolarHBondContact CB-O 3.41Å; L252-F318 HydrophobicContact CB-CB 4.05Å; L252-F318 HydrophobicContact CD1-CD1 3.9Å; L252-F318 HydrophobicContact CD1-CE1 4.32Å; L252-F318 HydrophobicContact CD2-CB 4.2Å; L252-F318 HydrophobicContact CD2-CD1 4.36Å; L252-F318 HydrophobicContact CD2-CG 4.21Å; L252-F318 HydrophobicContact CG-CD1 4.49Å; F256-F318 HydrophobicContact CD2-CD2 4.37Å; F256-F318 AromaticContact CD2-CE2 3.85Å; F256-F318 HydrophobicContact CD2-CE2 3.85Å; F256-F318 HydrophobicContact CD2-CZ 4.27Å; F256-F318 HydrophobicContact CE2-CD2 4.46Å; F256-F318 AromaticContact CE2-CE2 3.65Å; F256-F318 HydrophobicContact CE2-CE2 3.65Å; F256-F318 HydrophobicContact CE2-CZ 4.17Å; Y261-F318 HydrophobicContact CD2-CE2 4.09Å; Y261-F318 AromaticContact CD2-CZ 3.76Å; Y261-F318 HydrophobicContact CD2-CZ 3.76Å; Y261-F318 AromaticContact CE2-CE2 3.8Å; Y261-F318 HydrophobicContact CE2-CE2 3.8Å; Y261-F318 AromaticContact CE2-CZ 3.63Å; Y261-F318 HydrophobicContact CE2-CZ 3.63Å; P316-F318 HydrophobicContact CG-CE2 4.36Å; F318-G320 PolarHBondContact O-N 2.87Å; F318-W321 HydrophobicContact CB-CD2 4.17Å; F318-W321 HydrophobicContact CB-CG 4.41Å; F318-W321 HydrophobicContact CD2-CH2 4.3Å; F318-W321 HydrophobicContact CD2-CZ3 4.32Å; F318-W321 WeakPolarHBondContact O-CB 3.36Å; F318-W321 PolarHBondContact O-N 2.94Å
319	G	97	Very high	97.6	Very high	4 Å²	4	34.4 Å²	34.4	4%	0.041	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-52	129.3	-179.1	0	0	0	0	0	113.6	H247 A250 F251 L252 W321	H247-G319 WeakPolarHBondContact ND1-CA 3.03Å; A250-G319 WeakPolarHBondContact O-CA 3.41Å; F251-G319 WeakPolarHBondContact CA-O 3.19Å; L252-G319 PolarHBondContact N-O 2.89Å; L252-G319 VanDerWaalsContact N-O 3.15Å; G319-W321 VanDerWaalsContact C-N 3.33Å
320	G	96.1	Very high	97.6	Very high	27 Å²	27	36 Å²	36	28%	0.278	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.8	-14.5	-175.3	0	0	0	0	0	115.1	H247 F318	H247-G320 PolarHBondContact O-N 2.79Å; F318-G320 PolarHBondContact O-N 2.87Å
321	W	98.2	Very high	97.6	Very high	72 Å²	72	34.1 Å²	34.1	27%	0.273	16%	0.156	S	C	.	.			trans	-75.5	151.1	177.8	-65.7	15	0	0	0	110.6	R246 H247 L252 F256 F315 P316 L317 F318 G319	R246-W321 WeakPolarHBondContact CA-O 3.48Å; H247-W321 PolarHBondContact N-O 2.99Å; L252-W321 HydrophobicContact CD2-CZ2 3.96Å; F256-W321 HydrophobicContact CB-CH2 4.31Å; F256-W321 HydrophobicContact CB-CZ2 4.27Å; F256-W321 HydrophobicContact CD1-CH2 4.32Å; F256-W321 HydrophobicContact CD2-CH2 4.31Å; F256-W321 HydrophobicContact CG-CH2 4.04Å; F256-W321 HydrophobicContact CG-CZ2 4.48Å; F315-W321 HydrophobicContact CB-CZ3 4.46Å; F315-W321 AromaticContact CD2-CE3 3.55Å; F315-W321 HydrophobicContact CD2-CE3 3.55Å; F315-W321 AromaticContact CD2-CZ3 3.86Å; F315-W321 HydrophobicContact CD2-CZ3 3.86Å; F315-W321 AromaticContact CE2-CE3 3.93Å; F315-W321 HydrophobicContact CE2-CE3 3.93Å; F315-W321 HydrophobicContact CG-CZ3 4.49Å; P316-W321 WeakPolarHBondContact O-CZ3 3.43Å; L317-W321 HydrophobicContact CD2-CB 4.24Å; F318-W321 HydrophobicContact CB-CD2 4.17Å; F318-W321 HydrophobicContact CB-CG 4.41Å; F318-W321 HydrophobicContact CD2-CH2 4.3Å; F318-W321 HydrophobicContact CD2-CZ3 4.32Å; F318-W321 WeakPolarHBondContact O-CB 3.36Å; F318-W321 PolarHBondContact O-N 2.94Å; G319-W321 VanDerWaalsContact C-N 3.33Å
322	K	97.9	Very high	97.6	Very high	145 Å²	145	35 Å²	35	63%	0.63	16%	0.161	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.1	147.1	-177.1	-54.9	-176.3	-178.9	179.5	0	109.6	M245 R246 F315	M245-K322 CarbonylContact O-C 3.55Å; M245-K322 VanDerWaalsContact O-CA 3.26Å; M245-K322 WeakPolarHBondContact O-CA 3.41Å; R246-K322 HydrophobicContact CB-CG 3.91Å; F315-K322 WeakPolarHBondContact CZ-O 3.49Å
323	T	97.8	Very high	97.5	Very high	15 Å²	15	30.1 Å²	30.1	9%	0.092	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	144.5	169.9	-170	0	0	0	0	108.7	M245 P313 L317 Y325	M245-T323 HydrophobicContact CB-CG2 3.97Å; M245-T323 HydrophobicContact CE-CG2 4.46Å; M245-T323 HydrophobicContact CG-CG2 4.39Å; M245-T323 PolarHBondContact N-O 2.79Å; M245-T323 PolarHBondContact O-N 2.93Å; M245-T323 VanDerWaalsContact O-O 3.11Å; P313-T323 HydrophobicContact CG-CG2 4.46Å; L317-T323 HydrophobicContact CD1-CG2 3.88Å; L317-T323 HydrophobicContact CD2-CG2 4.27Å; T323-Y325 HydrophobicContact CG2-CD1 4.26Å; T323-Y325 HydrophobicContact CG2-CE1 4.45Å
324	H	98.1	Very high	97.4	Very high	46 Å²	46	37.8 Å²	37.8	21%	0.213	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.4	173.7	169.8	-129.6	0	0	0	106.9	T242 I243 D244 E291	T242-H324 WeakPolarHBondContact CG2-NE2 3.47Å; I243-H324 WeakPolarHBondContact O-CA 3.12Å; D244-H324 IonicContact OD1-CD2 2.75Å; D244-H324 PolarHBondContact OD1-CD2 2.81Å; D244-H324 IonicContact OD1-CG 3.1Å; E291-H324 WeakPolarHBondContact CG-ND1 3.33Å; E291-H324 IonicContact OE1-CE1 2.86Å; E291-H324 PolarHBondContact OE1-CE1 3.14Å; E291-H324 IonicContact OE1-ND1 3.7Å; E291-H324 PolarHBondContact OE1-ND1 2.78Å
325	Y	98.3	Very high	97.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	165.2	178.4	67.4	-87	0	0	0	111.5	I243 M245 F275 Y288 R289 T323 I327 V354	I243-Y325 HydrophobicContact CB-CD1 4.39Å; I243-Y325 HydrophobicContact CB-CD2 4.49Å; I243-Y325 HydrophobicContact CB-CE1 3.93Å; I243-Y325 HydrophobicContact CB-CE2 4.09Å; I243-Y325 HydrophobicContact CD1-CE2 3.73Å; I243-Y325 WeakPolarHBondContact CD1-OH 3.34Å; I243-Y325 HydrophobicContact CG1-CE2 4.29Å; I243-Y325 HydrophobicContact CG2-CE1 3.84Å; I243-Y325 PolarHBondContact N-O 3.36Å; I243-Y325 PolarHBondContact O-N 2.65Å; M245-Y325 HydrophobicContact CE-CE1 3.44Å; M245-Y325 VanDerWaalsContact CE-CE1 3.44Å; M245-Y325 WeakPolarHBondContact CE-OH 3.38Å; F275-Y325 HydrophobicContact CZ-CE1 4.13Å; Y288-Y325 AromaticContact CD2-CD2 3.92Å; Y288-Y325 HydrophobicContact CD2-CD2 3.92Å; Y288-Y325 HydrophobicContact CD2-CG 4.48Å; Y288-Y325 AromaticContact CE2-CD2 3.44Å; Y288-Y325 HydrophobicContact CE2-CD2 3.44Å; Y288-Y325 VanDerWaalsContact CE2-CD2 3.44Å; Y288-Y325 HydrophobicContact CE2-CE2 4.2Å; Y288-Y325 AromaticContact CE2-CG 3.64Å; Y288-Y325 HydrophobicContact CE2-CG 3.64Å; R289-Y325 WeakPolarHBondContact O-CA 3.4Å; T323-Y325 HydrophobicContact CG2-CD1 4.26Å; T323-Y325 HydrophobicContact CG2-CE1 4.45Å; Y325-I327 HydrophobicContact CE2-CB 4.45Å; Y325-I327 HydrophobicContact CE2-CG2 4.33Å; Y325-V354 WeakPolarHBondContact OH-CG1 3.42Å
326	I	98.6	Very high	97.4	Very high	21 Å²	21	34.1 Å²	34.1	11%	0.108	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.1	177.4	-57.1	169.7	0	0	0	107.8	E240 E241 T242 Y287 R289	E240-I326 HydrophobicContact CG-CG2 3.41Å; E240-I326 VanDerWaalsContact CG-CG2 3.41Å; E240-I326 WeakPolarHBondContact OE2-CG2 3.3Å; E241-I326 VanDerWaalsContact O-CA 3.28Å; E241-I326 WeakPolarHBondContact O-CA 3.29Å; T242-I326 HydrophobicContact CG2-CG1 4.19Å; Y287-I326 HydrophobicContact CE2-CG2 4.28Å; R289-I326 HydrophobicContact CG-CB 3.88Å; R289-I326 HydrophobicContact CG-CG2 4.39Å; R289-I326 PolarHBondContact N-O 2.9Å; R289-I326 PolarHBondContact O-N 2.79Å
327	I	98.4	Very high	97.4	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	133.2	168.6	-170.3	167.6	0	0	0	108.4	E241 I243 T277 V286 Y287 Y325	E241-I327 HydrophobicContact CB-CG2 4.01Å; E241-I327 PolarHBondContact N-O 3.28Å; E241-I327 PolarHBondContact O-N 3.06Å; I243-I327 HydrophobicContact CD1-CG2 4.15Å; T277-I327 HydrophobicContact CG2-CD1 4.39Å; V286-I327 HydrophobicContact CG1-CG1 4.45Å; Y287-I327 WeakPolarHBondContact O-CA 3.31Å; Y325-I327 HydrophobicContact CE2-CB 4.45Å; Y325-I327 HydrophobicContact CE2-CG2 4.33Å
328	G	98.3	Very high	97.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	155.5	177.3	0	0	0	0	0	112.1	V239 V286 Y287	V239-G328 CarbonylContact O-C 3.54Å; V239-G328 WeakPolarHBondContact O-CA 3.22Å; V286-G328 CarbonylContact C-O 3.59Å; V286-G328 VanDerWaalsContact CA-O 3.31Å; V286-G328 WeakPolarHBondContact CA-O 3.23Å; Y287-G328 WeakPolarHBondContact CD1-O 3.19Å; Y287-G328 PolarHBondContact N-O 2.83Å; Y287-G328 PolarHBondContact O-N 2.84Å
329	Y	98.3	Very high	97.3	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	157.2	-174.1	56.5	-83.1	0	0	0	110.7	R227 V239 L279 P280 A283 L331 D352	R227-Y329 PolarHBondContact NH1-OH 3.15Å; R227-Y329 PolarHBondContact NH2-OH 2.85Å; V239-Y329 HydrophobicContact CB-CD1 4.4Å; V239-Y329 HydrophobicContact CB-CD2 4.34Å; V239-Y329 HydrophobicContact CB-CE1 3.96Å; V239-Y329 HydrophobicContact CB-CE2 3.92Å; V239-Y329 HydrophobicContact CG1-CE1 3.89Å; V239-Y329 HydrophobicContact CG1-CE2 4.44Å; V239-Y329 HydrophobicContact CG2-CE2 4.09Å; V239-Y329 PolarHBondContact N-O 2.79Å; V239-Y329 PolarHBondContact O-N 2.9Å; L279-Y329 HydrophobicContact CD1-CD1 4.18Å; L279-Y329 HydrophobicContact CD1-CG 4.34Å; L279-Y329 HydrophobicContact CD2-CD1 4.03Å; L279-Y329 HydrophobicContact CD2-CE1 3.73Å; P280-Y329 HydrophobicContact CG-CE2 4.39Å; A283-Y329 HydrophobicContact CB-CD2 3.92Å; A283-Y329 HydrophobicContact CB-CG 4.36Å; Y329-L331 HydrophobicContact CD2-CD1 4.42Å; Y329-L331 HydrophobicContact CD2-CD2 4.05Å; Y329-L331 HydrophobicContact CD2-CG 3.96Å; Y329-L331 HydrophobicContact CE2-CD1 3.9Å; Y329-L331 HydrophobicContact CE2-CD2 4.08Å; Y329-L331 HydrophobicContact CE2-CG 3.95Å; Y329-D352 PolarHBondContact OH-OD2 3.42Å
330	N	98.3	Very high	97.3	Very high	38 Å²	38	50.5 Å²	50.5	20%	0.203	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	144.5	176.6	-74.7	-34.7	0	0	0	110.2	N236 A283 Q284 D285	N236-N330 PolarHBondContact ND2-OD1 2.89Å; N236-N330 WeakPolarHBondContact OD1-CB 3.48Å; A283-N330 WeakPolarHBondContact CA-O 3.43Å; Q284-N330 PolarHBondContact N-O 3.13Å; Q284-N330 PolarHBondContact O-N 3.06Å; D285-N330 HydrophobicContact CB-CB 4.49Å; D285-N330 PolarHBondContact OD2-ND2 3.18Å
331	L	97.6	Very high	97.2	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	140.1	175	-64.8	171.2	0	0	0	109.8	N236 I237 V239 P280 A283 Y329 S333 Y336 M348	N236-L331 PolarHBondContact OD1-O 2.79Å; N236-L331 VanDerWaalsContact OD1-O 3.11Å; I237-L331 HydrophobicContact CB-CB 4.44Å; I237-L331 PolarHBondContact N-O 2.84Å; I237-L331 PolarHBondContact O-N 3.44Å; V239-L331 HydrophobicContact CG2-CD1 4.17Å; P280-L331 HydrophobicContact CB-CD2 4.05Å; P280-L331 HydrophobicContact CG-CD2 4.27Å; A283-L331 HydrophobicContact CB-CD2 4.27Å; Y329-L331 HydrophobicContact CD2-CD1 4.42Å; Y329-L331 HydrophobicContact CD2-CD2 4.05Å; Y329-L331 HydrophobicContact CD2-CG 3.96Å; Y329-L331 HydrophobicContact CE2-CD1 3.9Å; Y329-L331 HydrophobicContact CE2-CD2 4.08Å; Y329-L331 HydrophobicContact CE2-CG 3.95Å; L331-S333 PolarHBondContact O-N 3.1Å; L331-Y336 HydrophobicContact CB-CD2 4.21Å; L331-Y336 HydrophobicContact CB-CE2 4.01Å; L331-Y336 HydrophobicContact CD1-CD2 4.18Å; L331-Y336 HydrophobicContact CD1-CE2 3.75Å; L331-Y336 HydrophobicContact CD2-CE2 4.11Å; L331-Y336 HydrophobicContact CG-CE2 4.18Å; L331-M348 HydrophobicContact CD1-CE 3.56Å
332	P	97.2	Very high	97	Very high	18 Å²	18	52.5 Å²	52.5	12%	0.117	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	128.9	172.2	26.4	-32.5	0	0	0	110.6	S282 Y334 E335	S282-P332 WeakPolarHBondContact O-CD 3.41Å; P332-Y334 HydrophobicContact CB-CD1 3.8Å; P332-Y334 HydrophobicContact CB-CE1 3.32Å; P332-Y334 HydrophobicContact CG-CE1 4.06Å; P332-Y334 PolarHBondContact O-N 2.75Å; P332-E335 HydrophobicContact CG-CG 4.06Å; P332-E335 PolarHBondContact O-N 2.83Å
333	S	95.9	Very high	97	Very high	20 Å²	20	51.4 Å²	51.4	14%	0.14	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-28.5	-173.5	67	0	0	0	0	113.6	G235 L331 E335 Y336 L337	G235-S333 WeakPolarHBondContact CA-OG 3.28Å; G235-S333 PolarHBondContact O-N 2.91Å; G235-S333 VanDerWaalsContact O-N 3.11Å; G235-S333 PolarHBondContact O-OG 2.86Å; L331-S333 PolarHBondContact O-N 3.1Å; S333-E335 PolarHBondContact O-N 2.94Å; S333-Y336 PolarHBondContact O-N 3.42Å; S333-L337 WeakPolarHBondContact O-CA 3.32Å; S333-L337 WeakPolarHBondContact O-CB 3.27Å; S333-L337 PolarHBondContact O-N 3.44Å
334	Y	95.2	Very high	97	Very high	170 Å²	170	51.4 Å²	51.4	67%	0.667	26%	0.259	S	S	*	.	H	α-helix	trans	-65.9	-18.9	-174.2	66.3	-102.9	0	0	0	114.2	P332	P332-Y334 HydrophobicContact CB-CD1 3.8Å; P332-Y334 HydrophobicContact CB-CE1 3.32Å; P332-Y334 HydrophobicContact CG-CE1 4.06Å; P332-Y334 PolarHBondContact O-N 2.75Å
335	E	95.5	Very high	97	Very high	71 Å²	71	50 Å²	50	33%	0.332	26%	0.255	S	S	.	.	H	α-helix	trans	-81.5	-30	179.4	-64	-175.1	-173.4	0	0	112.5	S282 P332 S333	S282-E335 WeakPolarHBondContact CB-OE2 3.49Å; S282-E335 PolarHBondContact OG-OE2 2.74Å; P332-E335 HydrophobicContact CG-CG 4.06Å; P332-E335 PolarHBondContact O-N 2.83Å; S333-E335 PolarHBondContact O-N 2.94Å
336	Y	97.1	Very high	97	Very high	47 Å²	47	50 Å²	50	18%	0.184	26%	0.255	C	S	.	.	H	α-helix	trans	-116	-15.3	-171.3	-59.9	-81	0	0	0	113.4	P280 L331 S333 L346 K347 M348	P280-Y336 WeakPolarHBondContact CB-OH 3.36Å; L331-Y336 HydrophobicContact CB-CD2 4.21Å; L331-Y336 HydrophobicContact CB-CE2 4.01Å; L331-Y336 HydrophobicContact CD1-CD2 4.18Å; L331-Y336 HydrophobicContact CD1-CE2 3.75Å; L331-Y336 HydrophobicContact CD2-CE2 4.11Å; L331-Y336 HydrophobicContact CG-CE2 4.18Å; S333-Y336 PolarHBondContact O-N 3.42Å; Y336-L346 WeakPolarHBondContact O-CA 2.86Å; Y336-K347 WeakPolarHBondContact CD1-O 3.41Å; Y336-K347 PolarHBondContact O-N 2.81Å; Y336-M348 HydrophobicContact CD1-CG 3.95Å; Y336-M348 HydrophobicContact CG-CG 4.15Å
337	L	97.3	Very high	96.9	Very high	18 Å²	18	53.3 Å²	53.3	9%	0.094	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	113.4	-175.9	-168.5	66.8	0	0	0	111.8	V231 S333 Y344 L346 Y423	V231-L337 HydrophobicContact CG1-CD2 4.35Å; S333-L337 WeakPolarHBondContact O-CA 3.32Å; S333-L337 WeakPolarHBondContact O-CB 3.27Å; S333-L337 PolarHBondContact O-N 3.44Å; L337-Y344 HydrophobicContact CD1-CD1 4.39Å; L337-Y344 HydrophobicContact CD2-CD1 4.1Å; L337-Y344 HydrophobicContact CG-CD1 4.24Å; L337-L346 HydrophobicContact CD1-CB 4Å; L337-L346 HydrophobicContact CD1-CD1 4.14Å; L337-Y423 HydrophobicContact CD1-CE1 4.44Å; L337-Y423 WeakPolarHBondContact CD1-OH 3.2Å
338	Y	97.2	Very high	96.9	Very high	132 Å²	132	53.5 Å²	53.5	52%	0.518	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	142.6	179	-55.5	-89.2	0	0	0	110.5	Y344 A345 K347	Y338-Y344 CarbonylContact O-C 3.57Å; Y338-Y344 WeakPolarHBondContact O-CA 3.49Å; Y338-A345 WeakPolarHBondContact CD2-O 3.32Å; Y338-A345 PolarHBondContact N-O 2.81Å; Y338-A345 PolarHBondContact O-N 2.91Å; Y338-K347 HydrophobicContact CE2-CB 4.05Å
339	T	95.8	Very high	96.8	Very high	80 Å²	80	58.2 Å²	58.2	49%	0.491	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	136.5	-176.5	75	0	0	0	0	111.9	Q343 Y344	T339-Q343 WeakPolarHBondContact CA-O 3.18Å; T339-Y344 HydrophobicContact CG2-CD1 3.42Å; T339-Y344 VanDerWaalsContact CG2-CD1 3.42Å; T339-Y344 HydrophobicContact CG2-CE1 3.36Å; T339-Y344 HydrophobicContact CG2-CG 4.33Å
340	L	96.1	Very high	96.6	Very high	135 Å²	135	58.4 Å²	58.4	71%	0.707	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.5	103.5	171	-178.3	65.8	0	0	0	109.1	D342 Q343	L340-D342 PolarHBondContact O-N 2.98Å; L340-Q343 PolarHBondContact N-O 3.05Å; L340-Q343 WeakPolarHBondContact O-CB 3.13Å; L340-Q343 PolarHBondContact O-N 2.86Å
341	G	94.3	Very high	96.6	Very high	51 Å²	51	56.6 Å²	56.6	53%	0.526	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	-118.7	-171.8	0	0	0	0	0	111.5
342	D	94.9	Very high	96.5	Very high	91 Å²	91	56.6 Å²	56.6	49%	0.487	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	3.6	175.8	-67.5	-19.1	0	0	0	112.9	L340 Y344 T424 F425	L340-D342 PolarHBondContact O-N 2.98Å; D342-Y344 WeakPolarHBondContact O-CD2 3.45Å; D342-T424 VanDerWaalsContact O-CA 3.31Å; D342-T424 WeakPolarHBondContact O-CA 3.26Å; D342-F425 PolarHBondContact O-N 3.42Å
343	Q	97.1	Very high	96.5	Very high	122 Å²	122	56.6 Å²	56.6	57%	0.57	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	135.8	175.2	-64.2	-178.8	-10.6	0	0	110.2	T339 L340 T424	T339-Q343 WeakPolarHBondContact CA-O 3.18Å; L340-Q343 PolarHBondContact N-O 3.05Å; L340-Q343 WeakPolarHBondContact O-CB 3.13Å; L340-Q343 PolarHBondContact O-N 2.86Å; Q343-T424 HydrophobicContact CG-CG2 4.17Å
344	Y	97.8	Very high	96.6	Very high	14 Å²	14	55.7 Å²	55.7	6%	0.055	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	141.3	179.9	-69.2	-102.4	0	0	0	109.2	H233 L337 Y338 T339 D342 H422 Y423 F425 K427	H233-Y344 AromaticContact CD2-CE1 3.47Å; H233-Y344 VanDerWaalsContact CD2-CE1 3.47Å; H233-Y344 WeakPolarHBondContact CD2-CE1 3.49Å; H233-Y344 AromaticContact CD2-CZ 3.71Å; H233-Y344 AromaticContact NE2-CD1 3.46Å; H233-Y344 WeakPolarHBondContact NE2-CD1 3.48Å; H233-Y344 AromaticContact NE2-CE1 3.42Å; H233-Y344 WeakPolarHBondContact NE2-CE1 3.31Å; H233-Y344 AromaticContact NE2-CG 3.92Å; H233-Y344 AromaticContact NE2-CZ 3.85Å; L337-Y344 HydrophobicContact CD1-CD1 4.39Å; L337-Y344 HydrophobicContact CD2-CD1 4.1Å; L337-Y344 HydrophobicContact CG-CD1 4.24Å; Y338-Y344 CarbonylContact O-C 3.57Å; Y338-Y344 WeakPolarHBondContact O-CA 3.49Å; T339-Y344 HydrophobicContact CG2-CD1 3.42Å; T339-Y344 VanDerWaalsContact CG2-CD1 3.42Å; T339-Y344 HydrophobicContact CG2-CE1 3.36Å; T339-Y344 HydrophobicContact CG2-CG 4.33Å; D342-Y344 WeakPolarHBondContact O-CD2 3.45Å; Y344-H422 WeakPolarHBondContact O-CA 3.12Å; Y344-Y423 VanDerWaalsContact CB-CE2 3.5Å; Y344-Y423 WeakPolarHBondContact CB-OH 3.31Å; Y344-Y423 HydrophobicContact CD1-CE2 4.49Å; Y344-Y423 HydrophobicContact CD2-CE2 4.17Å; Y344-Y423 AromaticContact CG-CE2 3.82Å; Y344-Y423 HydrophobicContact CG-CE2 3.82Å; Y344-Y423 AromaticContact CG-CZ 3.93Å; Y344-Y423 PolarHBondContact N-O 3.18Å; Y344-Y423 PolarHBondContact O-N 3.11Å; Y344-F425 HydrophobicContact CD2-CB 3.86Å; Y344-F425 HydrophobicContact CE2-CB 3.77Å; Y344-F425 HydrophobicContact CE2-CD1 4.1Å; Y344-F425 HydrophobicContact CE2-CG 4.44Å; Y344-K427 WeakPolarHBondContact OH-CE 3.37Å; Y344-K427 WeakPolarHBondContact OH-CG 3.37Å
345	A	98.1	Very high	96.7	Very high	16 Å²	16	48 Å²	48	13%	0.132	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	115.8	173.1	0	0	0	0	0	108.7	Y338 V420 V421 H422	Y338-A345 WeakPolarHBondContact CD2-O 3.32Å; Y338-A345 PolarHBondContact N-O 2.81Å; Y338-A345 PolarHBondContact O-N 2.91Å; A345-V420 HydrophobicContact CB-CG1 4.43Å; A345-V421 CarbonylContact C-O 3.57Å; A345-V421 WeakPolarHBondContact CA-O 3.44Å; A345-H422 WeakPolarHBondContact CB-ND1 3.47Å
346	L	98.1	Very high	96.7	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	124.7	171.9	178.8	76.2	0	0	0	108.5	V231 I237 Y336 L337 M348 L367 V420 V421	V231-L346 HydrophobicContact CG2-CD1 4.3Å; V231-L346 HydrophobicContact CG2-CD2 3.74Å; I237-L346 HydrophobicContact CD1-CD1 3.65Å; Y336-L346 WeakPolarHBondContact O-CA 2.86Å; L337-L346 HydrophobicContact CD1-CB 4Å; L337-L346 HydrophobicContact CD1-CD1 4.14Å; L346-M348 HydrophobicContact CD1-CG 3.94Å; L346-M348 HydrophobicContact CD1-SD 3.86Å; L346-M348 HydrophobicContact CD2-CG 4.4Å; L346-M348 HydrophobicContact CD2-SD 4.11Å; L346-M348 HydrophobicContact CG-CG 4.02Å; L346-M348 HydrophobicContact CG-SD 4.2Å; L346-L367 HydrophobicContact CD2-CD1 3.73Å; L346-L367 HydrophobicContact CD2-CD2 4.16Å; L346-L367 HydrophobicContact CD2-CG 4.12Å; L346-V420 CarbonylContact O-C 3.58Å; L346-V420 VanDerWaalsContact O-CA 3.26Å; L346-V420 WeakPolarHBondContact O-CA 3.47Å; L346-V421 HydrophobicContact CB-CB 4.45Å; L346-V421 PolarHBondContact N-O 2.85Å; L346-V421 PolarHBondContact O-N 2.91Å
347	K	97.8	Very high	96.7	Very high	89 Å²	89	48.7 Å²	48.7	39%	0.387	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	116.8	173.4	178.6	176.6	174.7	-174.9	0	109.3	Y336 Y338 D418 V419 V420	Y336-K347 WeakPolarHBondContact CD1-O 3.41Å; Y336-K347 PolarHBondContact O-N 2.81Å; Y338-K347 HydrophobicContact CE2-CB 4.05Å; K347-D418 WeakPolarHBondContact CE-OD2 3.35Å; K347-D418 HydrophobicContact CG-CB 3.99Å; K347-D418 IonicContact NZ-OD2 3.68Å; K347-V419 WeakPolarHBondContact CA-O 3.47Å; K347-V420 HydrophobicContact CB-CG2 4.23Å; K347-V420 HydrophobicContact CD-CG2 4.38Å; K347-V420 HydrophobicContact CG-CG2 4.02Å
348	M	96.4	Very high	96.7	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.025	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	158	-179.1	-67.8	-170.7	77.7	0	0	111.5	I229 I237 V239 L331 Y336 L346 L350 D418 V419	I229-M348 HydrophobicContact CD1-SD 4.46Å; I229-M348 HydrophobicContact CG2-CE 4.32Å; I229-M348 HydrophobicContact CG2-SD 3.63Å; I237-M348 HydrophobicContact CD1-SD 4.39Å; I237-M348 HydrophobicContact CG2-CE 4.08Å; I237-M348 HydrophobicContact CG2-SD 3.84Å; V239-M348 HydrophobicContact CG2-CE 3.87Å; L331-M348 HydrophobicContact CD1-CE 3.56Å; Y336-M348 HydrophobicContact CD1-CG 3.95Å; Y336-M348 HydrophobicContact CG-CG 4.15Å; L346-M348 HydrophobicContact CD1-CG 3.94Å; L346-M348 HydrophobicContact CD1-SD 3.86Å; L346-M348 HydrophobicContact CD2-CG 4.4Å; L346-M348 HydrophobicContact CD2-SD 4.11Å; L346-M348 HydrophobicContact CG-CG 4.02Å; L346-M348 HydrophobicContact CG-SD 4.2Å; M348-L350 PolarHBondContact O-N 2.88Å; M348-D418 CarbonylContact O-C 3.55Å; M348-D418 WeakPolarHBondContact O-CA 3.32Å; M348-V419 PolarHBondContact N-O 3.15Å; M348-V419 VanDerWaalsContact O-CG1 3.28Å; M348-V419 WeakPolarHBondContact O-CG1 3.5Å; M348-V419 PolarHBondContact O-N 3.41Å
349	R	96.8	Very high	96.7	Very high	99 Å²	99	41.6 Å²	41.6	37%	0.374	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	127.2	172.6	-67.4	176.8	177.4	173.4	0.4	111.3	D352 I416 D418	R349-D352 WeakPolarHBondContact CD-OD1 3.45Å; R349-D352 IonicContact CZ-OD1 2.73Å; R349-D352 IonicContact NE-OD1 2.66Å; R349-D352 IonicContact NH1-OD1 3.48Å; R349-D352 PolarHBondContact NH1-OD1 2.88Å; R349-I416 HydrophobicContact CG-CG2 4.32Å; R349-D418 WeakPolarHBondContact CG-OD1 3.33Å; R349-D418 PolarHBondContact N-OD1 2.91Å
350	L	95.4	Very high	96.8	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.031	20%	0.198	C	C	.	.	S	Bend	trans	-66.1	-44.5	177.6	-173.2	76.2	0	0	0	111.3	M348 V365 Y382 I384 Q417 V419	M348-L350 PolarHBondContact O-N 2.88Å; L350-V365 HydrophobicContact CD1-CB 4.45Å; L350-V365 HydrophobicContact CD1-CG1 4.44Å; L350-V365 HydrophobicContact CD1-CG2 4Å; L350-V365 HydrophobicContact CG-CG2 4.18Å; L350-V365 WeakPolarHBondContact O-CG2 3.33Å; L350-Y382 HydrophobicContact CD2-CE2 3.61Å; L350-Y382 WeakPolarHBondContact CD2-OH 3.21Å; L350-I384 HydrophobicContact CD2-CG2 3.86Å; L350-Q417 PolarHBondContact N-O 3.37Å; L350-V419 HydrophobicContact CB-CB 4.28Å; L350-V419 HydrophobicContact CB-CG1 4.15Å; L350-V419 HydrophobicContact CD1-CB 3.97Å; L350-V419 HydrophobicContact CD1-CG1 3.82Å; L350-V419 HydrophobicContact CD1-CG2 4.29Å
351	V	96.5	Very high	97	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-128.3	143.3	170.4	64.8	0	0	0	0	107.5	I360 L363 H415 I416	V351-I360 HydrophobicContact CG2-CD1 3.45Å; V351-I360 VanDerWaalsContact CG2-CD1 3.45Å; V351-L363 HydrophobicContact CB-CD2 3.9Å; V351-L363 HydrophobicContact CG2-CD2 4.26Å; V351-H415 HydrophobicContact CG1-CB 4.23Å; V351-H415 WeakPolarHBondContact CG1-O 3.13Å; V351-I416 HydrophobicContact CG1-CG1 4.26Å
352	D	96.1	Very high	97.2	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.016	16%	0.162	C	C	.	.			trans	-117.2	175.5	-176.6	-144.9	-11.7	0	0	0	110.7	R227 Y329 R349 V354 Q358	R227-D352 IonicContact CZ-OD2 3.43Å; R227-D352 IonicContact NH1-OD2 2.85Å; R227-D352 IonicContact NH2-OD2 3.15Å; R227-D352 PolarHBondContact NH2-OD2 3.38Å; R227-D352 VanDerWaalsContact NH2-OD2 3.1Å; Y329-D352 PolarHBondContact OH-OD2 3.42Å; R349-D352 WeakPolarHBondContact CD-OD1 3.45Å; R349-D352 IonicContact CZ-OD1 2.73Å; R349-D352 IonicContact NE-OD1 2.66Å; R349-D352 IonicContact NH1-OD1 3.48Å; R349-D352 PolarHBondContact NH1-OD1 2.88Å; D352-V354 PolarHBondContact O-N 3.29Å; D352-Q358 PolarHBondContact O-NE2 3.28Å; D352-Q358 PolarHBondContact O-OE1 2.94Å
353	H	98	Very high	97.3	Very high	17 Å²	17	28.3 Å²	28.3	8%	0.079	14%	0.139	C	C	.	.			trans	-77.7	117.7	-177.9	178.1	-71.1	0	0	0	111.9	K276 T277 I278 D356 I416	K276-H353 PolarHBondContact O-CE1 3.34Å; T277-H353 WeakPolarHBondContact CG2-O 3.27Å; I278-H353 HydrophobicContact CB-CB 4.25Å; I278-H353 PolarHBondContact N-ND1 3.34Å; I278-H353 VanDerWaalsContact N-ND1 3.18Å; H353-D356 IonicContact CE1-OD1 3.49Å; H353-D356 IonicContact NE2-OD1 3.14Å; H353-D356 PolarHBondContact NE2-OD1 3.02Å; H353-I416 HydrophobicContact CB-CD1 4.17Å
354	V	97.6	Very high	97.4	Very high	1 Å²	1	24 Å²	24	1%	0.006	12%	0.121	C	C	.	.	S	Bend	trans	-98.8	-48	174.3	-172.8	0	0	0	0	111.6	I222 I225 I243 K276 T277 Y325 D352	I222-V354 HydrophobicContact CD1-CB 3.84Å; I222-V354 HydrophobicContact CD1-CG1 3.9Å; I222-V354 HydrophobicContact CD1-CG2 3.89Å; I225-V354 HydrophobicContact CD1-CG2 4.12Å; I243-V354 HydrophobicContact CD1-CG1 3.89Å; I243-V354 HydrophobicContact CD1-CG2 4.17Å; K276-V354 CarbonylContact C-O 3.56Å; K276-V354 VanDerWaalsContact O-O 3.05Å; T277-V354 VanDerWaalsContact CA-O 3.29Å; T277-V354 WeakPolarHBondContact CA-O 3.48Å; T277-V354 WeakPolarHBondContact CB-O 3.38Å; T277-V354 PolarHBondContact OG1-O 3.38Å; Y325-V354 WeakPolarHBondContact OH-CG1 3.42Å; D352-V354 PolarHBondContact O-N 3.29Å
355	Y	97.1	Very high	97.4	Very high	9 Å²	9	23.8 Å²	23.8	4%	0.035	12%	0.121	C	C	.	.	S	Bend	trans	-157.9	158.6	175.4	67	-82.3	0	0	0	111	L220 I222 M245 K276 D357 Q358 V359	L220-Y355 VanDerWaalsContact C-OH 3.27Å; L220-Y355 HydrophobicContact CB-CE1 4.35Å; L220-Y355 HydrophobicContact CB-CE2 3.83Å; L220-Y355 HydrophobicContact CD1-CD2 4.42Å; L220-Y355 PolarHBondContact O-OH 3.21Å; I222-Y355 HydrophobicContact CD1-CD1 4.19Å; I222-Y355 HydrophobicContact CD1-CE1 3.66Å; I222-Y355 HydrophobicContact CG1-CE1 3.9Å; M245-Y355 HydrophobicContact SD-CE1 4.5Å; K276-Y355 WeakPolarHBondContact O-CA 3.37Å; Y355-D357 PolarHBondContact O-N 3.2Å; Y355-Q358 HydrophobicContact CD1-CB 4Å; Y355-Q358 HydrophobicContact CE1-CB 3.73Å; Y355-Q358 HydrophobicContact CE2-CB 4.28Å; Y355-Q358 HydrophobicContact CG-CB 4.37Å; Y355-Q358 VanDerWaalsContact CZ-CA 3.48Å; Y355-Q358 WeakPolarHBondContact O-CB 3.4Å; Y355-Q358 PolarHBondContact O-N 2.85Å; Y355-V359 PolarHBondContact OH-N 2.81Å; Y355-V359 VanDerWaalsContact OH-N 3.11Å
356	D	96.4	Very high	97.4	Very high	102 Å²	102	26.2 Å²	26.2	55%	0.545	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	136.7	178	-56.9	-18.9	0	0	0	111.7	H353 Q358 E413	H353-D356 IonicContact CE1-OD1 3.49Å; H353-D356 IonicContact NE2-OD1 3.14Å; H353-D356 PolarHBondContact NE2-OD1 3.02Å; D356-Q358 VanDerWaalsContact C-N 3.32Å; D356-Q358 PolarHBondContact O-N 3.24Å; D356-E413 WeakPolarHBondContact CA-OE1 3.35Å
357	D	95.5	Very high	97.4	Very high	31 Å²	31	26.5 Å²	26.5	17%	0.166	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	38.6	-175.2	-59.5	-76.7	0	0	0	113.3	T42 H43 I44 K46 Y355 E413	T42-D357 VanDerWaalsContact CG2-OD2 3.27Å; T42-D357 WeakPolarHBondContact CG2-OD2 3.46Å; H43-D357 PolarHBondContact NE2-O 3.31Å; I44-D357 HydrophobicContact CD1-CB 4.02Å; I44-D357 HydrophobicContact CG1-CB 4.36Å; K46-D357 WeakPolarHBondContact CE-OD1 3.37Å; K46-D357 IonicContact NZ-OD1 3.85Å; K46-D357 PolarHBondContact NZ-OD1 2.79Å; Y355-D357 PolarHBondContact O-N 3.2Å; D357-E413 VanDerWaalsContact N-CD 3.28Å; D357-E413 PolarHBondContact N-OE1 2.78Å
358	Q	97.3	Very high	97.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.113	C	C	.	.			trans	-59	144	-176.8	68.7	-172.8	29.2	0	0	114.3	D352 Y355 D356 V412 E413	D352-Q358 PolarHBondContact O-NE2 3.28Å; D352-Q358 PolarHBondContact O-OE1 2.94Å; Y355-Q358 HydrophobicContact CD1-CB 4Å; Y355-Q358 HydrophobicContact CE1-CB 3.73Å; Y355-Q358 HydrophobicContact CE2-CB 4.28Å; Y355-Q358 HydrophobicContact CG-CB 4.37Å; Y355-Q358 VanDerWaalsContact CZ-CA 3.48Å; Y355-Q358 WeakPolarHBondContact O-CB 3.4Å; Y355-Q358 PolarHBondContact O-N 2.85Å; D356-Q358 VanDerWaalsContact C-N 3.32Å; D356-Q358 PolarHBondContact O-N 3.24Å; Q358-V412 WeakPolarHBondContact O-CA 3.23Å; Q358-E413 HydrophobicContact CG-CG 3.9Å
359	V	98.1	Very high	97.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	126.2	168.2	175.5	0	0	0	0	108.5	H43 I44 T221 I222 Y355 L411 V412	H43-V359 VanDerWaalsContact CE1-CG2 3.41Å; H43-V359 WeakPolarHBondContact CE1-CG2 3.36Å; I44-V359 HydrophobicContact CG2-CG2 3.24Å; T221-V359 HydrophobicContact CG2-CG1 4.32Å; I222-V359 PolarHBondContact N-O 3.05Å; Y355-V359 PolarHBondContact OH-N 2.81Å; Y355-V359 VanDerWaalsContact OH-N 3.11Å; V359-L411 WeakPolarHBondContact CA-O 3.47Å; V359-V412 HydrophobicContact CG2-CG1 4.27Å
360	I	98.6	Very high	97.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	115.6	178.2	-62	161	0	0	0	108.4	I222 I225 V351 L363 N410 L411	I222-I360 HydrophobicContact CB-CB 4.43Å; I222-I360 HydrophobicContact CB-CG1 3.95Å; I222-I360 HydrophobicContact CD1-CD1 4.38Å; I222-I360 HydrophobicContact CD1-CG1 3.68Å; I222-I360 HydrophobicContact CG1-CG1 4.43Å; I222-I360 HydrophobicContact CG2-CG1 4.15Å; I222-I360 HydrophobicContact CG2-CG2 4.28Å; I222-I360 WeakPolarHBondContact O-CA 3.1Å; I225-I360 HydrophobicContact CG2-CD1 4.22Å; I225-I360 HydrophobicContact CG2-CG1 4.34Å; I225-I360 HydrophobicContact CG2-CG2 3.52Å; V351-I360 HydrophobicContact CG2-CD1 3.45Å; V351-I360 VanDerWaalsContact CG2-CD1 3.45Å; I360-L363 HydrophobicContact CG2-CB 4.15Å; I360-N410 CarbonylContact O-C 3.55Å; I360-N410 VanDerWaalsContact O-CA 3.27Å; I360-N410 WeakPolarHBondContact O-CA 3.37Å; I360-N410 PolarHBondContact O-N 2.8Å; I360-L411 HydrophobicContact CB-CB 4.12Å; I360-L411 HydrophobicContact CD1-CB 4.46Å; I360-L411 HydrophobicContact CG2-CD1 4.34Å; I360-L411 PolarHBondContact N-O 2.95Å; I360-L411 PolarHBondContact O-N 2.91Å
361	D	98.4	Very high	97.4	Very high	38 Å²	38	17.9 Å²	17.9	20%	0.203	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	-42.8	178.1	-69.3	-12.7	0	0	0	110.5	H132 T221 I222 S223 R246 N409 N410	H132-D361 IonicContact CD2-OD1 3.57Å; H132-D361 IonicContact CE1-OD1 3.42Å; H132-D361 PolarHBondContact CE1-OD1 2.93Å; H132-D361 IonicContact NE2-OD1 3.67Å; H132-D361 PolarHBondContact NE2-OD1 2.83Å; T221-D361 WeakPolarHBondContact CG2-OD1 3.28Å; T221-D361 WeakPolarHBondContact CG2-OD2 3.37Å; I222-D361 PolarHBondContact O-N 3.44Å; S223-D361 WeakPolarHBondContact O-CB 3.44Å; R246-D361 IonicContact CZ-OD2 3.89Å; R246-D361 IonicContact NH2-OD2 2.66Å; R246-D361 PolarHBondContact NH2-OD2 3.5Å; D361-N409 VanDerWaalsContact O-CA 3.24Å; D361-N409 WeakPolarHBondContact O-CA 3.49Å; D361-N409 WeakPolarHBondContact O-CB 3.33Å; D361-N410 PolarHBondContact O-N 3.37Å; D361-N410 VanDerWaalsContact O-N 3.08Å
362	S	98.4	Very high	97.2	Very high	39 Å²	39	18.4 Å²	18.4	27%	0.273	10%	0.101	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	122.1	-178.3	172.3	0	0	0	0	111.8	S224 I225	S224-S362 WeakPolarHBondContact CA-O 3.4Å; I225-S362 PolarHBondContact N-O 3.06Å
363	L	98.4	Very high	97.3	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	134.9	171	170.2	68.9	0	0	0	109.8	I225 R227 V351 I360 V365 S407 K408 L411	I225-L363 HydrophobicContact CG2-CB 4.11Å; I225-L363 HydrophobicContact CG2-CD1 3.6Å; I225-L363 HydrophobicContact CG2-CG 4.47Å; I225-L363 WeakPolarHBondContact O-CA 3.47Å; R227-L363 HydrophobicContact CB-CD1 4.36Å; V351-L363 HydrophobicContact CB-CD2 3.9Å; V351-L363 HydrophobicContact CG2-CD2 4.26Å; I360-L363 HydrophobicContact CG2-CB 4.15Å; L363-V365 HydrophobicContact CD1-CG2 3.88Å; L363-V365 HydrophobicContact CD2-CG2 3.78Å; L363-V365 HydrophobicContact CG-CG2 3.82Å; L363-S407 WeakPolarHBondContact O-CA 3.36Å; L363-K408 PolarHBondContact N-O 2.91Å; L363-K408 PolarHBondContact O-N 3.3Å; L363-L411 HydrophobicContact CB-CD1 3.34Å; L363-L411 HydrophobicContact CD2-CD1 3.45Å; L363-L411 VanDerWaalsContact CD2-CD1 3.45Å; L363-L411 HydrophobicContact CG-CD1 4.03Å
364	T	98.3	Very high	97.1	Very high	32 Å²	32	26.3 Å²	26.3	20%	0.196	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	119.7	163.2	-60.9	0	0	0	0	109.3	I225 T226 R227 K366 V405 A406	I225-T364 PolarHBondContact O-N 2.87Å; T226-T364 CarbonylContact C-O 3.53Å; T226-T364 WeakPolarHBondContact CA-O 3.44Å; R227-T364 PolarHBondContact N-O 2.88Å; T364-K366 HydrophobicContact CG2-CG 4.33Å; T364-V405 HydrophobicContact CG2-CG1 4.06Å; T364-A406 CarbonylContact C-O 3.58Å; T364-A406 WeakPolarHBondContact CA-O 3.44Å
365	V	98	Very high	97.1	Very high	10 Å²	10	32.5 Å²	32.5	6%	0.061	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.2	173.8	-176.9	0	0	0	0	108.8	R227 I229 L350 L363 V405 A406	R227-V365 CarbonylContact O-C 3.58Å; R227-V365 WeakPolarHBondContact O-CA 3.46Å; I229-V365 HydrophobicContact CD1-CG1 4.46Å; L350-V365 HydrophobicContact CD1-CB 4.45Å; L350-V365 HydrophobicContact CD1-CG1 4.44Å; L350-V365 HydrophobicContact CD1-CG2 4Å; L350-V365 HydrophobicContact CG-CG2 4.18Å; L350-V365 WeakPolarHBondContact O-CG2 3.33Å; L363-V365 HydrophobicContact CD1-CG2 3.88Å; L363-V365 HydrophobicContact CD2-CG2 3.78Å; L363-V365 HydrophobicContact CG-CG2 3.82Å; V365-V405 WeakPolarHBondContact O-CA 3.3Å; V365-A406 PolarHBondContact N-O 3.11Å; V365-A406 PolarHBondContact O-N 2.81Å
366	K	98.2	Very high	97	Very high	67 Å²	67	34 Å²	34	29%	0.291	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	111.5	173.2	-65.1	-176.8	-179.6	179.6	0	108.9	T226 R227 I228 I229 T364 V403 L404 V405	T226-K366 HydrophobicContact CG2-CD 4.42Å; R227-K366 PolarHBondContact O-N 3.18Å; I228-K366 CarbonylContact C-O 3.57Å; I228-K366 WeakPolarHBondContact CA-O 3.33Å; I228-K366 HydrophobicContact CG1-CB 4.3Å; I228-K366 HydrophobicContact CG1-CD 4.45Å; I229-K366 PolarHBondContact N-O 3.35Å; T364-K366 HydrophobicContact CG2-CG 4.33Å; K366-V403 HydrophobicContact CB-CG1 4.01Å; K366-L404 CarbonylContact C-O 3.59Å; K366-L404 WeakPolarHBondContact CA-O 3.41Å; K366-V405 HydrophobicContact CG-CG1 4.36Å; K366-V405 HydrophobicContact CG-CG2 4.34Å
367	L	97.9	Very high	97	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.042	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	106.9	179	-167.4	165.3	0	0	0	108.6	I229 V231 L346 L369 V403 L404 V421	I229-L367 HydrophobicContact CB-CG 4.45Å; I229-L367 CarbonylContact O-C 3.5Å; I229-L367 WeakPolarHBondContact O-CA 3.38Å; V231-L367 HydrophobicContact CG2-CD2 4.43Å; L346-L367 HydrophobicContact CD2-CD1 3.73Å; L346-L367 HydrophobicContact CD2-CD2 4.16Å; L346-L367 HydrophobicContact CD2-CG 4.12Å; L367-L369 HydrophobicContact CD2-CD1 4.38Å; L367-L369 HydrophobicContact CD2-CD2 3.28Å; L367-L369 HydrophobicContact CD2-CG 3.51Å; L367-V403 WeakPolarHBondContact O-CA 3.33Å; L367-L404 HydrophobicContact CB-CB 4.23Å; L367-L404 HydrophobicContact CD2-CD1 4.37Å; L367-L404 PolarHBondContact N-O 3.24Å; L367-L404 PolarHBondContact O-N 3.18Å; L367-V421 HydrophobicContact CD1-CB 4.29Å; L367-V421 HydrophobicContact CD1-CG2 3.51Å
368	I	98.3	Very high	97	Very high	6 Å²	6	34.6 Å²	34.6	3%	0.031	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	108.9	-178.6	-52.2	175.3	0	0	0	107.7	I228 I229 E230 V231 H392 R401 V403	I228-I368 HydrophobicContact CG2-CD1 3.66Å; I228-I368 HydrophobicContact CG2-CG1 4.27Å; I229-I368 PolarHBondContact O-N 3.1Å; E230-I368 HydrophobicContact CB-CB 4.29Å; E230-I368 HydrophobicContact CB-CD1 4.44Å; E230-I368 HydrophobicContact CG-CB 4.23Å; E230-I368 HydrophobicContact CG-CG2 4.26Å; V231-I368 PolarHBondContact N-O 2.82Å; I368-H392 HydrophobicContact CD1-CB 4.41Å; I368-H392 HydrophobicContact CG2-CB 4.19Å; I368-R401 HydrophobicContact CG2-CB 3.81Å; I368-R401 HydrophobicContact CG2-CG 4.5Å; I368-V403 HydrophobicContact CB-CG2 4.49Å; I368-V403 HydrophobicContact CG1-CG1 4.08Å; I368-V403 HydrophobicContact CG1-CG2 4.01Å; I368-V403 HydrophobicContact CG2-CG2 4.39Å
369	L	97.6	Very high	96.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-89.2	157.4	176.2	-67.5	174.8	0	0	0	110.5	V231 L367 A373 I376 R401 P402 L404 V421 Y423	V231-L369 HydrophobicContact CG2-CD2 4.43Å; L367-L369 HydrophobicContact CD2-CD1 4.38Å; L367-L369 HydrophobicContact CD2-CD2 3.28Å; L367-L369 HydrophobicContact CD2-CG 3.51Å; L369-A373 HydrophobicContact CB-CB 3.94Å; L369-A373 HydrophobicContact CD1-CB 4.35Å; L369-I376 HydrophobicContact CD1-CD1 3.75Å; L369-I376 HydrophobicContact CD1-CG1 3.86Å; L369-I376 HydrophobicContact CD1-CG2 3.84Å; L369-R401 VanDerWaalsContact O-CB 3.26Å; L369-R401 WeakPolarHBondContact O-CB 3.28Å; L369-P402 HydrophobicContact CB-CG 4.14Å; L369-P402 PolarHBondContact N-O 2.94Å; L369-L404 HydrophobicContact CD1-CD1 4.23Å; L369-V421 HydrophobicContact CD1-CG1 4.29Å; L369-Y423 HydrophobicContact CD1-CD1 4.17Å; L369-Y423 HydrophobicContact CD1-CG 4.28Å; L369-Y423 HydrophobicContact CD2-CD1 3.79Å; L369-Y423 HydrophobicContact CD2-CE1 3.62Å; L369-Y423 HydrophobicContact CD2-CG 4.45Å
370	P	95.8	Very high	96.8	Very high	6 Å²	6	42.2 Å²	42.2	4%	0.039	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-61.5	154.7	178.5	-10.4	17.8	0	0	0	112.8	H233 G372 A373 F425	H233-P370 WeakPolarHBondContact CE1-CG 3.32Å; H233-P370 WeakPolarHBondContact ND1-CG 3.49Å; P370-G372 PolarHBondContact O-N 3.14Å; P370-A373 WeakPolarHBondContact O-CB 3.2Å; P370-A373 PolarHBondContact O-N 3.08Å; P370-A373 VanDerWaalsContact O-N 3.11Å; P370-F425 HydrophobicContact CB-CD2 4.49Å; P370-F425 HydrophobicContact CB-CE2 4.21Å
371	E	94.4	Very high	96.5	Very high	5 Å²	5	44.6 Å²	44.6	2%	0.023	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	127.4	175.2	-179.3	168.3	-116.2	0	0	110	T398 F399 G400 R401 F425 L429 Q432	E371-T398 PolarHBondContact OE1-N 2.83Å; E371-T398 PolarHBondContact OE1-OG1 2.59Å; E371-T398 PolarHBondContact OE2-N 3.32Å; E371-T398 PolarHBondContact OE2-OG1 3.47Å; E371-F399 HydrophobicContact CB-CE2 4.44Å; E371-F399 HydrophobicContact CG-CD1 4.29Å; E371-F399 HydrophobicContact CG-CD2 3.67Å; E371-F399 HydrophobicContact CG-CE1 3.8Å; E371-F399 HydrophobicContact CG-CE2 3.13Å; E371-F399 HydrophobicContact CG-CG 4.24Å; E371-F399 HydrophobicContact CG-CZ 3.19Å; E371-F399 WeakPolarHBondContact OE1-CA 3.34Å; E371-F399 WeakPolarHBondContact OE1-CD1 3.03Å; E371-F399 WeakPolarHBondContact OE1-CD2 3.45Å; E371-F399 VanDerWaalsContact OE1-CG 3.28Å; E371-F399 WeakPolarHBondContact OE1-CG 3.45Å; E371-F399 PolarHBondContact OE1-N 2.8Å; E371-G400 PolarHBondContact OE1-N 2.94Å; E371-R401 HydrophobicContact CB-CG 4.17Å; E371-F425 VanDerWaalsContact O-CE2 3.3Å; E371-F425 WeakPolarHBondContact O-CE2 3.37Å; E371-L429 WeakPolarHBondContact O-CD2 3.45Å; E371-Q432 PolarHBondContact OE2-NE2 3.35Å
372	G	93.9	Very high	96.3	Very high	11 Å²	11	44 Å²	44	11%	0.113	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	4	-178.3	0	0	0	0	0	115.7	P370	P370-G372 PolarHBondContact O-N 3.14Å
373	A	96.4	Very high	96	Very high	12 Å²	12	47.5 Å²	47.5	10%	0.099	25%	0.247	C	C	.	.			trans	-61.5	133.2	167	0	0	0	0	0	111.4	L369 P370 P402 Y423	L369-A373 HydrophobicContact CB-CB 3.94Å; L369-A373 HydrophobicContact CD1-CB 4.35Å; P370-A373 WeakPolarHBondContact O-CB 3.2Å; P370-A373 PolarHBondContact O-N 3.08Å; P370-A373 VanDerWaalsContact O-N 3.11Å; A373-P402 HydrophobicContact CB-CG 4.02Å; A373-Y423 HydrophobicContact CB-CD2 3.86Å; A373-Y423 HydrophobicContact CB-CG 4.4Å
374	R	94.9	Very high	95.8	Very high	175 Å²	175	49.1 Å²	49.1	66%	0.66	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.2	164.8	-177.3	-64.2	-179.9	-176.5	-165	-0.5	111.3	I376 T424	R374-I376 PolarHBondContact O-N 3.35Å; R374-T424 PolarHBondContact N-O 2.97Å; R374-T424 PolarHBondContact O-N 2.99Å; R374-T424 PolarHBondContact O-OG1 2.86Å
375	N	96.1	Very high	95.7	Very high	131 Å²	131	52.4 Å²	52.4	70%	0.701	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.2	50.7	176.4	-53.6	-48.9	0	0	0	112.3	H377 T424	N375-H377 PolarHBondContact O-N 2.97Å; N375-T424 HydrophobicContact CB-CG2 4.45Å; N375-T424 PolarHBondContact ND2-OG1 3.19Å
376	I	96.6	Very high	95.5	Very high	40 Å²	40	58.8 Å²	58.8	21%	0.205	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	121.5	-172.6	-55	162.2	0	0	0	109.6	L369 R374 P402 L404 V421 H422	L369-I376 HydrophobicContact CD1-CD1 3.75Å; L369-I376 HydrophobicContact CD1-CG1 3.86Å; L369-I376 HydrophobicContact CD1-CG2 3.84Å; R374-I376 PolarHBondContact O-N 3.35Å; I376-P402 HydrophobicContact CD1-CB 4.04Å; I376-P402 HydrophobicContact CD1-CG 4.13Å; I376-L404 HydrophobicContact CG2-CD1 3.59Å; I376-L404 HydrophobicContact CG2-CD2 3.79Å; I376-L404 HydrophobicContact CG2-CG 4Å; I376-V421 HydrophobicContact CG2-CG1 3.95Å; I376-H422 CarbonylContact C-O 3.56Å; I376-H422 WeakPolarHBondContact CA-O 3.49Å
377	H	95.6	Very high	95.3	Very high	109 Å²	109	58.4 Å²	58.4	51%	0.505	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	137	176	-173.9	66.3	0	0	0	109.7	N375 V421 H422	N375-H377 PolarHBondContact O-N 2.97Å; H377-V421 CarbonylContact O-C 3.58Å; H377-V421 WeakPolarHBondContact O-CA 3.31Å; H377-H422 HydrophobicContact CB-CB 4.32Å; H377-H422 PolarHBondContact N-O 2.88Å; H377-H422 PolarHBondContact O-N 3.34Å
378	V	95.5	Very high	95.2	Very high	36 Å²	36	63 Å²	63	22%	0.218	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	122.3	-175.9	-176.4	0	0	0	0	108.4	T380 L404 V419 V420 V421	V378-T380 HydrophobicContact CG1-CG2 3.81Å; V378-L404 HydrophobicContact CG2-CD1 3.55Å; V378-L404 HydrophobicContact CG2-CD2 3.99Å; V378-L404 HydrophobicContact CG2-CG 4.36Å; V378-V419 HydrophobicContact CG1-CG2 3.71Å; V378-V420 WeakPolarHBondContact CA-O 3.41Å; V378-V421 HydrophobicContact CG1-CG2 4.15Å; V378-V421 HydrophobicContact CG2-CG1 4.31Å; V378-V421 HydrophobicContact CG2-CG2 4.1Å
379	E	96.2	Very high	95	Very high	100 Å²	100	66.2 Å²	66.2	47%	0.467	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120	172.8	-60.7	-175.4	176.9	0	0	108.9	V419 V420 H422	E379-V419 WeakPolarHBondContact O-CG2 3.42Å; E379-V420 HydrophobicContact CB-CB 4.28Å; E379-V420 PolarHBondContact N-O 2.89Å; E379-V420 PolarHBondContact O-N 2.87Å; E379-H422 IonicContact OE1-CD2 3.29Å; E379-H422 IonicContact OE1-NE2 2.91Å
380	T	95.3	Very high	94.9	Very high	61 Å²	61	70.7 Å²	70.7	37%	0.374	36%	0.363	S	S	.	.			trans	-112.9	136.9	-171.7	59.7	0	0	0	0	110.5	V378 Y382 I384 V419	V378-T380 HydrophobicContact CG1-CG2 3.81Å; T380-Y382 VanDerWaalsContact C-N 3.27Å; T380-Y382 PolarHBondContact O-N 2.7Å; T380-Y382 PolarHBondContact OG1-O 2.98Å; T380-I384 HydrophobicContact CG2-CD1 3.31Å; T380-I384 HydrophobicContact CG2-CG1 3.81Å; T380-V419 HydrophobicContact CG2-CG2 4.46Å
381	P	92.9	Very high	94.9	Very high	49 Å²	49	75.3 Å²	75.3	32%	0.318	39%	0.387	S	S	.	.	S	Bend	trans	-69.4	-25.6	-176.5	25.5	-32.6	0	0	0	113.4	Q417 D418	P381-Q417 HydrophobicContact CB-CB 3.73Å; P381-Q417 HydrophobicContact CG-CB 3.72Å; P381-D418 WeakPolarHBondContact CD-O 3.5Å; P381-D418 WeakPolarHBondContact CG-O 3.41Å
382	Y	92.9	Very high	95.1	Very high	26 Å²	26	78.2 Å²	78.2	10%	0.102	40%	0.401	C	S	.	.	S	Bend	trans	-148	166.2	178.3	42.9	-107.7	0	0	0	109.9	L350 T380 I384 K408 L411 H415 Q417	L350-Y382 HydrophobicContact CD2-CE2 3.61Å; L350-Y382 WeakPolarHBondContact CD2-OH 3.21Å; T380-Y382 VanDerWaalsContact C-N 3.27Å; T380-Y382 PolarHBondContact O-N 2.7Å; T380-Y382 PolarHBondContact OG1-O 2.98Å; Y382-I384 HydrophobicContact CD2-CG2 3.78Å; Y382-I384 HydrophobicContact CE2-CG2 3.78Å; Y382-I384 WeakPolarHBondContact O-CG2 3.49Å; Y382-I384 PolarHBondContact O-N 3.02Å; Y382-K408 HydrophobicContact CD2-CD 3.76Å; Y382-K408 HydrophobicContact CE2-CD 3.56Å; Y382-L411 HydrophobicContact CE2-CD2 4.4Å; Y382-H415 HydrophobicContact CE1-CB 3.97Å; Y382-H415 AromaticContact CE1-CD2 3.95Å; Y382-H415 VanDerWaalsContact CE1-O 3.3Å; Y382-H415 WeakPolarHBondContact CE1-O 3.36Å; Y382-H415 PolarHBondContact OH-O 2.8Å; Y382-Q417 HydrophobicContact CE1-CB 4.12Å; Y382-Q417 HydrophobicContact CE1-CG 4.31Å
383	P	93.1	Very high	95.2	Very high	112 Å²	112	84.4 Å²	84.4	73%	0.727	42%	0.422	S	S	*	.			trans	-58.6	127.3	178.1	-24.9	34.9	0	0	0	112.4	K408	P383-K408 PolarHBondContact O-NZ 2.94Å
384	I	94.9	Very high	95	Very high	35 Å²	35	86.1 Å²	86.1	18%	0.179	43%	0.431	C	S	.	.			trans	-131.6	152.8	175.3	70.2	-179.4	0	0	0	110.1	L350 T380 Y382 A406 K408	L350-I384 HydrophobicContact CD2-CG2 3.86Å; T380-I384 HydrophobicContact CG2-CD1 3.31Å; T380-I384 HydrophobicContact CG2-CG1 3.81Å; Y382-I384 HydrophobicContact CD2-CG2 3.78Å; Y382-I384 HydrophobicContact CE2-CG2 3.78Å; Y382-I384 WeakPolarHBondContact O-CG2 3.49Å; Y382-I384 PolarHBondContact O-N 3.02Å; I384-A406 HydrophobicContact CD1-CB 3.65Å; I384-A406 HydrophobicContact CG1-CB 4.32Å; I384-K408 HydrophobicContact CG2-CD 3.93Å
385	D	95.6	Very high	94.9	Very high	101 Å²	101	87.6 Å²	87.6	54%	0.54	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	112.8	178.5	-62.1	-45.8	0	0	0	109.7	A406 S407	D385-A406 CarbonylContact O-C 3.52Å; D385-A406 WeakPolarHBondContact O-CA 3.26Å; D385-S407 WeakPolarHBondContact CB-O 3.26Å; D385-S407 PolarHBondContact N-O 3.37Å; D385-S407 PolarHBondContact O-N 3.2Å; D385-S407 PolarHBondContact O-OG 2.92Å
386	R	93.3	Very high	94.8	Very high	144 Å²	144	85.1 Å²	85.1	54%	0.543	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	128	176.8	-171.8	173.9	177.3	-175.2	-0.2	110.7	D389	R386-D389 IonicContact CZ-OD1 3.66Å; R386-D389 IonicContact NE-OD1 3.13Å; R386-D389 PolarHBondContact NE-OD1 3.06Å; R386-D389 VanDerWaalsContact NH2-CG 3.33Å; R386-D389 IonicContact NH2-OD1 3.84Å; R386-D389 PolarHBondContact NH2-OD1 2.78Å; R386-D389 IonicContact NH2-OD2 2.75Å; R386-D389 PolarHBondContact NH2-OD2 2.89Å
387	I	93.8	Very high	94.6	Very high	59 Å²	59	84.4 Å²	84.4	30%	0.303	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	152.9	174.9	-64	169.8	0	0	0	108	D389 V405	I387-D389 PolarHBondContact O-N 2.8Å; I387-V405 HydrophobicContact CB-CB 4.04Å; I387-V405 HydrophobicContact CB-CG1 4Å; I387-V405 HydrophobicContact CD1-CG1 3.97Å; I387-V405 HydrophobicContact CG2-CB 4.32Å; I387-V405 HydrophobicContact CG2-CG1 4.23Å; I387-V405 PolarHBondContact N-O 2.97Å
388	P	95.5	Very high	94.4	Very high	106 Å²	106	82.6 Å²	82.6	69%	0.688	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.1	134.4	174.7	-28.6	36.3	0	0	0	112.4
389	D	94.5	Very high	94.2	Very high	72 Å²	72	85.8 Å²	85.8	39%	0.385	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	144.2	178.6	-60.7	-3.4	0	0	0	110.4	R386 I387 V403	R386-D389 IonicContact CZ-OD1 3.66Å; R386-D389 IonicContact NE-OD1 3.13Å; R386-D389 PolarHBondContact NE-OD1 3.06Å; R386-D389 VanDerWaalsContact NH2-CG 3.33Å; R386-D389 IonicContact NH2-OD1 3.84Å; R386-D389 PolarHBondContact NH2-OD1 2.78Å; R386-D389 IonicContact NH2-OD2 2.75Å; R386-D389 PolarHBondContact NH2-OD2 2.89Å; I387-D389 PolarHBondContact O-N 2.8Å; D389-V403 VanDerWaalsContact CA-O 3.32Å; D389-V403 WeakPolarHBondContact CA-O 3.44Å
390	Q	96.2	Very high	94.1	Very high	94 Å²	94	81.1 Å²	81.1	44%	0.439	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	175	-177.5	-60.1	180	8.1	0	0	110.9	V403 V405	Q390-V403 HydrophobicContact CB-CB 4.21Å; Q390-V403 PolarHBondContact N-O 2.91Å; Q390-V403 PolarHBondContact O-N 2.92Å; Q390-V405 HydrophobicContact CB-CG2 4.49Å; Q390-V405 HydrophobicContact CG-CG2 4.04Å
391	L	96.4	Very high	94.2	Very high	103 Å²	103	78.8 Å²	78.8	54%	0.539	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	136.8	170.7	-69.8	172.1	0	0	0	109.8	Y393 R401	L391-Y393 HydrophobicContact CB-CE2 4.11Å; L391-R401 CarbonylContact C-O 3.53Å; L391-R401 WeakPolarHBondContact CA-O 3.35Å
392	H	96.6	Very high	94.4	Very high	67 Å²	67	77.5 Å²	77.5	31%	0.31	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.5	173.1	-176.6	-103.2	0	0	0	109.7	I368 R401 V403	I368-H392 HydrophobicContact CD1-CB 4.41Å; I368-H392 HydrophobicContact CG2-CB 4.19Å; H392-R401 HydrophobicContact CB-CB 4.42Å; H392-R401 PolarHBondContact N-O 2.83Å; H392-R401 WeakPolarHBondContact O-CB 3.38Å; H392-R401 PolarHBondContact O-N 2.89Å; H392-V403 HydrophobicContact CB-CG2 3.46Å; H392-V403 VanDerWaalsContact CB-CG2 3.46Å
393	Y	96.1	Very high	94.7	Very high	141 Å²	141	76.6 Å²	76.6	55%	0.553	38%	0.381	S	S	*	.			trans	-120.3	115.8	178.6	-65.3	-85.3	0	0	0	108.5	L391 F399 G400	L391-Y393 HydrophobicContact CB-CE2 4.11Å; Y393-F399 WeakPolarHBondContact CE1-O 3.19Å; Y393-F399 PolarHBondContact OH-O 3.11Å; Y393-F399 VanDerWaalsContact OH-O 3.1Å; Y393-G400 VanDerWaalsContact CE1-CA 3.44Å
394	T	93.9	Very high	94.8	Very high	47 Å²	47	71.9 Å²	71.9	29%	0.288	35%	0.35	S	S	.	.			trans	-120.6	-166.6	172.5	-167.5	0	0	0	0	110.1	D397	T394-D397 WeakPolarHBondContact CG2-OD2 2.89Å; T394-D397 PolarHBondContact N-OD2 3.36Å
395	Y	92.3	Very high	94.9	Very high	207 Å²	207	70.4 Å²	70.4	81%	0.812	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	139	178	-58	-79.8	0	0	0	111.6	D397	Y395-D397 PolarHBondContact O-N 3.11Å
396	L	93.3	Very high	95	Very high	78 Å²	78	66.5 Å²	66.5	41%	0.408	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	11.6	176.4	-51.6	177.3	0	0	0	115.9	E433 L436 V437	L396-E433 HydrophobicContact CB-CB 4.24Å; L396-E433 HydrophobicContact CB-CG 4.02Å; L396-E433 HydrophobicContact CD1-CB 4.15Å; L396-L436 WeakPolarHBondContact O-CD1 3.46Å; L396-V437 HydrophobicContact CD1-CG2 4.43Å; L396-V437 HydrophobicContact CD2-CG2 3.7Å
397	D	92.6	Very high	95.2	Very high	25 Å²	25	60.9 Å²	60.9	13%	0.134	31%	0.306	C	S	.	.			trans	-83.1	148.8	171.4	-65.6	-28.1	0	0	0	111.6	T394 Y395 R401	T394-D397 WeakPolarHBondContact CG2-OD2 2.89Å; T394-D397 PolarHBondContact N-OD2 3.36Å; Y395-D397 PolarHBondContact O-N 3.11Å; D397-R401 IonicContact OD1-CZ 3.11Å; D397-R401 IonicContact OD1-NE 3.39Å; D397-R401 PolarHBondContact OD1-NE 2.95Å; D397-R401 IonicContact OD1-NH2 3.66Å; D397-R401 WeakPolarHBondContact OD2-CD 3.45Å; D397-R401 IonicContact OD2-NE 3.74Å
398	T	91.8	Very high	95.3	Very high	72 Å²	72	60 Å²	60	44%	0.442	30%	0.301	S	S	.	.	S	Bend	trans	-118.3	-44.6	-178.8	55.2	0	0	0	0	113.9	E371 Q432 L436	E371-T398 PolarHBondContact OE1-N 2.83Å; E371-T398 PolarHBondContact OE1-OG1 2.59Å; E371-T398 PolarHBondContact OE2-N 3.32Å; E371-T398 PolarHBondContact OE2-OG1 3.47Å; T398-Q432 PolarHBondContact OG1-NE2 3.46Å; T398-L436 HydrophobicContact CG2-CD1 3.49Å; T398-L436 VanDerWaalsContact CG2-CD1 3.49Å; T398-L436 HydrophobicContact CG2-CD2 3.77Å; T398-L436 HydrophobicContact CG2-CG 4.25Å
399	F	92	Very high	95.4	Very high	102 Å²	102	59.6 Å²	59.6	45%	0.447	29%	0.292	S	S	.	.	S	Bend	trans	-114.2	-12.5	176.9	48.6	-93.5	0	0	0	112.7	E371 Y393	E371-F399 HydrophobicContact CB-CE2 4.44Å; E371-F399 HydrophobicContact CG-CD1 4.29Å; E371-F399 HydrophobicContact CG-CD2 3.67Å; E371-F399 HydrophobicContact CG-CE1 3.8Å; E371-F399 HydrophobicContact CG-CE2 3.13Å; E371-F399 HydrophobicContact CG-CG 4.24Å; E371-F399 HydrophobicContact CG-CZ 3.19Å; E371-F399 WeakPolarHBondContact OE1-CA 3.34Å; E371-F399 WeakPolarHBondContact OE1-CD1 3.03Å; E371-F399 WeakPolarHBondContact OE1-CD2 3.45Å; E371-F399 VanDerWaalsContact OE1-CG 3.28Å; E371-F399 WeakPolarHBondContact OE1-CG 3.45Å; E371-F399 PolarHBondContact OE1-N 2.8Å; Y393-F399 WeakPolarHBondContact CE1-O 3.19Å; Y393-F399 PolarHBondContact OH-O 3.11Å; Y393-F399 VanDerWaalsContact OH-O 3.1Å
400	G	94.1	Very high	95.5	Very high	3 Å²	3	57.9 Å²	57.9	3%	0.031	28%	0.283	C	S	.	.			trans	104	155.4	169.6	0	0	0	0	0	113.4	E371 Y393	E371-G400 PolarHBondContact OE1-N 2.94Å; Y393-G400 VanDerWaalsContact CE1-CA 3.44Å
401	R	96.7	Very high	95.6	Very high	11 Å²	11	53.4 Å²	53.4	4%	0.042	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	129	-179.3	-71.5	179.4	174.6	-135.7	-16	110.9	E230 I368 L369 E371 L391 H392 D397 E433	E230-R401 IonicContact OE1-CZ 2.97Å; E230-R401 IonicContact OE1-NH1 3.99Å; E230-R401 PolarHBondContact OE1-NH1 2.82Å; I368-R401 HydrophobicContact CG2-CB 3.81Å; I368-R401 HydrophobicContact CG2-CG 4.5Å; L369-R401 VanDerWaalsContact O-CB 3.26Å; L369-R401 WeakPolarHBondContact O-CB 3.28Å; E371-R401 HydrophobicContact CB-CG 4.17Å; L391-R401 CarbonylContact C-O 3.53Å; L391-R401 WeakPolarHBondContact CA-O 3.35Å; H392-R401 HydrophobicContact CB-CB 4.42Å; H392-R401 PolarHBondContact N-O 2.83Å; H392-R401 WeakPolarHBondContact O-CB 3.38Å; H392-R401 PolarHBondContact O-N 2.89Å; D397-R401 IonicContact OD1-CZ 3.11Å; D397-R401 IonicContact OD1-NE 3.39Å; D397-R401 PolarHBondContact OD1-NE 2.95Å; D397-R401 IonicContact OD1-NH2 3.66Å; D397-R401 WeakPolarHBondContact OD2-CD 3.45Å; D397-R401 IonicContact OD2-NE 3.74Å; R401-E433 IonicContact NH2-OE1 3.55Å
402	P	97.5	Very high	95.7	Very high	22 Å²	22	48.5 Å²	48.5	14%	0.143	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	134.3	175	25.8	-28.2	0	0	0	110.7	L369 A373 I376	L369-P402 HydrophobicContact CB-CG 4.14Å; L369-P402 PolarHBondContact N-O 2.94Å; A373-P402 HydrophobicContact CB-CG 4.02Å; I376-P402 HydrophobicContact CD1-CB 4.04Å; I376-P402 HydrophobicContact CD1-CG 4.13Å
403	V	97.9	Very high	95.7	Very high	7 Å²	7	47.7 Å²	47.7	4%	0.042	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	118.5	179.6	-170.9	0	0	0	0	109.7	K366 L367 I368 D389 Q390 H392 V405	K366-V403 HydrophobicContact CB-CG1 4.01Å; L367-V403 WeakPolarHBondContact O-CA 3.33Å; I368-V403 HydrophobicContact CB-CG2 4.49Å; I368-V403 HydrophobicContact CG1-CG1 4.08Å; I368-V403 HydrophobicContact CG1-CG2 4.01Å; I368-V403 HydrophobicContact CG2-CG2 4.39Å; D389-V403 VanDerWaalsContact CA-O 3.32Å; D389-V403 WeakPolarHBondContact CA-O 3.44Å; Q390-V403 HydrophobicContact CB-CB 4.21Å; Q390-V403 PolarHBondContact N-O 2.91Å; Q390-V403 PolarHBondContact O-N 2.92Å; H392-V403 HydrophobicContact CB-CG2 3.46Å; H392-V403 VanDerWaalsContact CB-CG2 3.46Å; V403-V405 HydrophobicContact CG1-CG2 4.01Å
404	L	96.5	Very high	95.6	Very high	14 Å²	14	42.9 Å²	42.9	7%	0.073	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	127.5	168	-68.1	166	0	0	0	108.9	K366 L367 L369 I376 V378 V421	K366-L404 CarbonylContact C-O 3.59Å; K366-L404 WeakPolarHBondContact CA-O 3.41Å; L367-L404 HydrophobicContact CB-CB 4.23Å; L367-L404 HydrophobicContact CD2-CD1 4.37Å; L367-L404 PolarHBondContact N-O 3.24Å; L367-L404 PolarHBondContact O-N 3.18Å; L369-L404 HydrophobicContact CD1-CD1 4.23Å; I376-L404 HydrophobicContact CG2-CD1 3.59Å; I376-L404 HydrophobicContact CG2-CD2 3.79Å; I376-L404 HydrophobicContact CG2-CG 4Å; V378-L404 HydrophobicContact CG2-CD1 3.55Å; V378-L404 HydrophobicContact CG2-CD2 3.99Å; V378-L404 HydrophobicContact CG2-CG 4.36Å; L404-V421 HydrophobicContact CD1-CG1 3.6Å; L404-V421 HydrophobicContact CD1-CG2 4.14Å
405	V	97.3	Very high	95.7	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.024	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.9	178.7	-170.2	0	0	0	0	109.5	T364 V365 K366 I387 Q390 V403	T364-V405 HydrophobicContact CG2-CG1 4.06Å; V365-V405 WeakPolarHBondContact O-CA 3.3Å; K366-V405 HydrophobicContact CG-CG1 4.36Å; K366-V405 HydrophobicContact CG-CG2 4.34Å; I387-V405 HydrophobicContact CB-CB 4.04Å; I387-V405 HydrophobicContact CB-CG1 4Å; I387-V405 HydrophobicContact CD1-CG1 3.97Å; I387-V405 HydrophobicContact CG2-CB 4.32Å; I387-V405 HydrophobicContact CG2-CG1 4.23Å; I387-V405 PolarHBondContact N-O 2.97Å; Q390-V405 HydrophobicContact CB-CG2 4.49Å; Q390-V405 HydrophobicContact CG-CG2 4.04Å; V403-V405 HydrophobicContact CG1-CG2 4.01Å
406	A	96.2	Very high	96	Very high	18 Å²	18	33.7 Å²	33.7	15%	0.149	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	147.6	174.6	0	0	0	0	0	110.6	T364 V365 I384 D385	T364-A406 CarbonylContact C-O 3.58Å; T364-A406 WeakPolarHBondContact CA-O 3.44Å; V365-A406 PolarHBondContact N-O 3.11Å; V365-A406 PolarHBondContact O-N 2.81Å; I384-A406 HydrophobicContact CD1-CB 3.65Å; I384-A406 HydrophobicContact CG1-CB 4.32Å; D385-A406 CarbonylContact O-C 3.52Å; D385-A406 WeakPolarHBondContact O-CA 3.26Å
407	S	97.2	Very high	96.1	Very high	26 Å²	26	33.6 Å²	33.6	18%	0.182	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	150.9	176.9	56.4	0	0	0	0	111.5	L363 D385	L363-S407 WeakPolarHBondContact O-CA 3.36Å; D385-S407 WeakPolarHBondContact CB-O 3.26Å; D385-S407 PolarHBondContact N-O 3.37Å; D385-S407 PolarHBondContact O-N 3.2Å; D385-S407 PolarHBondContact O-OG 2.92Å
408	K	97.1	Very high	96.3	Very high	42 Å²	42	35.6 Å²	35.6	18%	0.183	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	145.9	170.5	-176.9	160.9	172.1	83.1	0	110.3	L363 Y382 P383 I384 L411	L363-K408 PolarHBondContact N-O 2.91Å; L363-K408 PolarHBondContact O-N 3.3Å; Y382-K408 HydrophobicContact CD2-CD 3.76Å; Y382-K408 HydrophobicContact CE2-CD 3.56Å; P383-K408 PolarHBondContact O-NZ 2.94Å; I384-K408 HydrophobicContact CG2-CD 3.93Å; K408-L411 HydrophobicContact CB-CD1 4.25Å; K408-L411 HydrophobicContact CB-CD2 4.49Å; K408-L411 HydrophobicContact CD-CD2 3.69Å; K408-L411 HydrophobicContact CD-CG 4.48Å; K408-L411 HydrophobicContact CG-CD1 4.35Å; K408-L411 HydrophobicContact CG-CD2 3.88Å; K408-L411 HydrophobicContact CG-CG 4.13Å
409	N	97.6	Very high	96.5	Very high	96 Å²	96	32.4 Å²	32.4	51%	0.513	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	160	179.5	-59.3	-33.2	0	0	0	111.1	D361	D361-N409 VanDerWaalsContact O-CA 3.24Å; D361-N409 WeakPolarHBondContact O-CA 3.49Å; D361-N409 WeakPolarHBondContact O-CB 3.33Å
410	N	97.2	Very high	96.8	Very high	36 Å²	36	29 Å²	29	19%	0.193	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.6	59.8	172.9	-160.1	25.2	0	0	0	114.4	L76 A77 S131 I360 D361	L76-N410 VanDerWaalsContact C-ND2 3.32Å; L76-N410 PolarHBondContact O-ND2 2.79Å; A77-N410 VanDerWaalsContact CA-ND2 3.32Å; A77-N410 WeakPolarHBondContact CA-ND2 3.28Å; A77-N410 PolarHBondContact N-ND2 2.7Å; S131-N410 WeakPolarHBondContact CB-OD1 3.29Å; S131-N410 PolarHBondContact OG-ND2 2.78Å; S131-N410 PolarHBondContact OG-OD1 2.9Å; I360-N410 CarbonylContact O-C 3.55Å; I360-N410 VanDerWaalsContact O-CA 3.27Å; I360-N410 WeakPolarHBondContact O-CA 3.37Å; I360-N410 PolarHBondContact O-N 2.8Å; D361-N410 PolarHBondContact O-N 3.37Å; D361-N410 VanDerWaalsContact O-N 3.08Å
411	L	98	Very high	97	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	149.9	179.2	-61.4	149.9	0	0	0	111.3	V359 I360 L363 Y382 K408 H415	V359-L411 WeakPolarHBondContact CA-O 3.47Å; I360-L411 HydrophobicContact CB-CB 4.12Å; I360-L411 HydrophobicContact CD1-CB 4.46Å; I360-L411 HydrophobicContact CG2-CD1 4.34Å; I360-L411 PolarHBondContact N-O 2.95Å; I360-L411 PolarHBondContact O-N 2.91Å; L363-L411 HydrophobicContact CB-CD1 3.34Å; L363-L411 HydrophobicContact CD2-CD1 3.45Å; L363-L411 VanDerWaalsContact CD2-CD1 3.45Å; L363-L411 HydrophobicContact CG-CD1 4.03Å; Y382-L411 HydrophobicContact CE2-CD2 4.4Å; K408-L411 HydrophobicContact CB-CD1 4.25Å; K408-L411 HydrophobicContact CB-CD2 4.49Å; K408-L411 HydrophobicContact CD-CD2 3.69Å; K408-L411 HydrophobicContact CD-CG 4.48Å; K408-L411 HydrophobicContact CG-CD1 4.35Å; K408-L411 HydrophobicContact CG-CD2 3.88Å; K408-L411 HydrophobicContact CG-CG 4.13Å; L411-H415 HydrophobicContact CB-CB 4.44Å; L411-H415 HydrophobicContact CD2-CB 3.56Å
412	V	97.8	Very high	97.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	173.2	176.3	-69.3	0	0	0	0	109.4	A77 V129 Q358 V359 Q414 H415	A77-V412 HydrophobicContact CB-CB 4.5Å; A77-V412 HydrophobicContact CB-CG1 3.62Å; A77-V412 HydrophobicContact CB-CG2 4.06Å; V129-V412 HydrophobicContact CB-CG2 4.41Å; V129-V412 HydrophobicContact CG1-CB 4.39Å; V129-V412 HydrophobicContact CG1-CG1 4.02Å; V129-V412 HydrophobicContact CG1-CG2 4.26Å; Q358-V412 WeakPolarHBondContact O-CA 3.23Å; V359-V412 HydrophobicContact CG2-CG1 4.27Å; V412-Q414 HydrophobicContact CG2-CB 4.45Å; V412-Q414 PolarHBondContact O-N 3.35Å; V412-Q414 VanDerWaalsContact O-N 3.11Å; V412-H415 WeakPolarHBondContact CG2-ND1 3.17Å; V412-H415 PolarHBondContact N-ND1 2.87Å; V412-H415 VanDerWaalsContact O-CB 3.29Å; V412-H415 WeakPolarHBondContact O-CB 3.31Å; V412-H415 PolarHBondContact O-N 2.7Å; V412-H415 PolarHBondContact O-ND1 2.84Å
413	E	95.7	Very high	97.1	Very high	50 Å²	50	30.6 Å²	30.6	23%	0.234	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-51.4	-35.3	-177.6	-67	-177.4	149.5	0	0	114.8	D356 D357 Q358 H415 I416	D356-E413 WeakPolarHBondContact CA-OE1 3.35Å; D357-E413 VanDerWaalsContact N-CD 3.28Å; D357-E413 PolarHBondContact N-OE1 2.78Å; Q358-E413 HydrophobicContact CG-CG 3.9Å; E413-H415 PolarHBondContact O-N 2.86Å; E413-I416 HydrophobicContact CB-CD1 4.44Å; E413-I416 WeakPolarHBondContact O-CB 3.41Å; E413-I416 VanDerWaalsContact O-CG1 3.27Å; E413-I416 WeakPolarHBondContact O-CG1 3.33Å; E413-I416 PolarHBondContact O-N 2.69Å
414	Q	95	Very high	97.1	Very high	40 Å²	40	32.1 Å²	32.1	19%	0.187	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-60.9	-14.1	177.4	-67.1	81.3	-0.9	0	0	113.5	Y78 E127 V412 Q417	Y78-Q414 HydrophobicContact CD1-CB 3.96Å; Y78-Q414 HydrophobicContact CD1-CG 3.84Å; Y78-Q414 HydrophobicContact CD2-CB 3.77Å; Y78-Q414 HydrophobicContact CE1-CB 4.06Å; Y78-Q414 HydrophobicContact CE1-CG 3.88Å; Y78-Q414 HydrophobicContact CE2-CB 3.9Å; Y78-Q414 HydrophobicContact CG-CB 3.79Å; Y78-Q414 HydrophobicContact CG-CG 4.19Å; E127-Q414 PolarHBondContact OE1-NE2 2.99Å; V412-Q414 HydrophobicContact CG2-CB 4.45Å; V412-Q414 PolarHBondContact O-N 3.35Å; V412-Q414 VanDerWaalsContact O-N 3.11Å; Q414-Q417 PolarHBondContact O-NE2 3.21Å
415	H	96.9	Very high	97.1	Very high	14 Å²	14	31.9 Å²	31.9	7%	0.065	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-88.8	-0.9	175.5	-64.2	91.2	0	0	0	114	A77 V351 Y382 L411 V412 E413 Q417	A77-H415 PolarHBondContact O-CE1 3.2Å; V351-H415 HydrophobicContact CG1-CB 4.23Å; V351-H415 WeakPolarHBondContact CG1-O 3.13Å; Y382-H415 HydrophobicContact CE1-CB 3.97Å; Y382-H415 AromaticContact CE1-CD2 3.95Å; Y382-H415 VanDerWaalsContact CE1-O 3.3Å; Y382-H415 WeakPolarHBondContact CE1-O 3.36Å; Y382-H415 PolarHBondContact OH-O 2.8Å; L411-H415 HydrophobicContact CB-CB 4.44Å; L411-H415 HydrophobicContact CD2-CB 3.56Å; V412-H415 WeakPolarHBondContact CG2-ND1 3.17Å; V412-H415 PolarHBondContact N-ND1 2.87Å; V412-H415 VanDerWaalsContact O-CB 3.29Å; V412-H415 WeakPolarHBondContact O-CB 3.31Å; V412-H415 PolarHBondContact O-N 2.7Å; V412-H415 PolarHBondContact O-ND1 2.84Å; E413-H415 PolarHBondContact O-N 2.86Å; H415-Q417 VanDerWaalsContact C-N 3.29Å; H415-Q417 PolarHBondContact O-N 3.1Å
416	I	97.1	Very high	96.9	Very high	48 Å²	48	35.8 Å²	35.8	25%	0.246	19%	0.187	C	C	.	.			trans	-70.1	90.2	173	-61.2	169.7	0	0	0	107.9	R349 V351 H353 E413	R349-I416 HydrophobicContact CG-CG2 4.32Å; V351-I416 HydrophobicContact CG1-CG1 4.26Å; H353-I416 HydrophobicContact CB-CD1 4.17Å; E413-I416 HydrophobicContact CB-CD1 4.44Å; E413-I416 WeakPolarHBondContact O-CB 3.41Å; E413-I416 VanDerWaalsContact O-CG1 3.27Å; E413-I416 WeakPolarHBondContact O-CG1 3.33Å; E413-I416 PolarHBondContact O-N 2.69Å
417	Q	96	Very high	96.7	Very high	75 Å²	75	39.9 Å²	39.9	35%	0.35	20%	0.202	S	C	.	.			trans	-140	157.6	-178.3	-62.6	-174.1	38.3	0	0	109.8	L350 P381 Y382 Q414 H415	L350-Q417 PolarHBondContact N-O 3.37Å; P381-Q417 HydrophobicContact CB-CB 3.73Å; P381-Q417 HydrophobicContact CG-CB 3.72Å; Y382-Q417 HydrophobicContact CE1-CB 4.12Å; Y382-Q417 HydrophobicContact CE1-CG 4.31Å; Q414-Q417 PolarHBondContact O-NE2 3.21Å; H415-Q417 VanDerWaalsContact C-N 3.29Å; H415-Q417 PolarHBondContact O-N 3.1Å
418	D	96.6	Very high	96.5	Very high	67 Å²	67	43.2 Å²	43.2	36%	0.358	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	137.5	-176.3	-62.9	-32.4	0	0	0	112	K347 M348 R349 P381	K347-D418 WeakPolarHBondContact CE-OD2 3.35Å; K347-D418 HydrophobicContact CG-CB 3.99Å; K347-D418 IonicContact NZ-OD2 3.68Å; M348-D418 CarbonylContact O-C 3.55Å; M348-D418 WeakPolarHBondContact O-CA 3.32Å; R349-D418 WeakPolarHBondContact CG-OD1 3.33Å; R349-D418 PolarHBondContact N-OD1 2.91Å; P381-D418 WeakPolarHBondContact CD-O 3.5Å; P381-D418 WeakPolarHBondContact CG-O 3.41Å
419	V	96.7	Very high	96.3	Very high	6 Å²	6	43.3 Å²	43.3	4%	0.036	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	140.8	164.1	59.4	0	0	0	0	108.8	K347 M348 L350 V378 E379 T380 V421	K347-V419 WeakPolarHBondContact CA-O 3.47Å; M348-V419 PolarHBondContact N-O 3.15Å; M348-V419 VanDerWaalsContact O-CG1 3.28Å; M348-V419 WeakPolarHBondContact O-CG1 3.5Å; M348-V419 PolarHBondContact O-N 3.41Å; L350-V419 HydrophobicContact CB-CB 4.28Å; L350-V419 HydrophobicContact CB-CG1 4.15Å; L350-V419 HydrophobicContact CD1-CB 3.97Å; L350-V419 HydrophobicContact CD1-CG1 3.82Å; L350-V419 HydrophobicContact CD1-CG2 4.29Å; V378-V419 HydrophobicContact CG1-CG2 3.71Å; E379-V419 WeakPolarHBondContact O-CG2 3.42Å; T380-V419 HydrophobicContact CG2-CG2 4.46Å; V419-V421 HydrophobicContact CG2-CG2 4.44Å
420	V	97.9	Very high	96	Very high	29 Å²	29	40.6 Å²	40.6	18%	0.176	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.7	175.9	-170.4	0	0	0	0	109.9	A345 L346 K347 V378 E379 H422	A345-V420 HydrophobicContact CB-CG1 4.43Å; L346-V420 CarbonylContact O-C 3.58Å; L346-V420 VanDerWaalsContact O-CA 3.26Å; L346-V420 WeakPolarHBondContact O-CA 3.47Å; K347-V420 HydrophobicContact CB-CG2 4.23Å; K347-V420 HydrophobicContact CD-CG2 4.38Å; K347-V420 HydrophobicContact CG-CG2 4.02Å; V378-V420 WeakPolarHBondContact CA-O 3.41Å; E379-V420 HydrophobicContact CB-CB 4.28Å; E379-V420 PolarHBondContact N-O 2.89Å; E379-V420 PolarHBondContact O-N 2.87Å; V420-H422 WeakPolarHBondContact CG1-NE2 3.42Å
421	V	97.8	Very high	95.9	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.012	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	114.4	177.4	-178	0	0	0	0	110	A345 L346 L367 L369 I376 H377 V378 L404 V419 Y423	A345-V421 CarbonylContact C-O 3.57Å; A345-V421 WeakPolarHBondContact CA-O 3.44Å; L346-V421 HydrophobicContact CB-CB 4.45Å; L346-V421 PolarHBondContact N-O 2.85Å; L346-V421 PolarHBondContact O-N 2.91Å; L367-V421 HydrophobicContact CD1-CB 4.29Å; L367-V421 HydrophobicContact CD1-CG2 3.51Å; L369-V421 HydrophobicContact CD1-CG1 4.29Å; I376-V421 HydrophobicContact CG2-CG1 3.95Å; H377-V421 CarbonylContact O-C 3.58Å; H377-V421 WeakPolarHBondContact O-CA 3.31Å; V378-V421 HydrophobicContact CG1-CG2 4.15Å; V378-V421 HydrophobicContact CG2-CG1 4.31Å; V378-V421 HydrophobicContact CG2-CG2 4.1Å; L404-V421 HydrophobicContact CD1-CG1 3.6Å; L404-V421 HydrophobicContact CD1-CG2 4.14Å; V419-V421 HydrophobicContact CG2-CG2 4.44Å; V421-Y423 HydrophobicContact CG1-CD1 4.31Å
422	H	98.1	Very high	95.6	Very high	65 Å²	65	46.2 Å²	46.2	30%	0.301	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	134.3	174.5	-62.2	-81.5	0	0	0	110.4	Y344 A345 I376 H377 E379 V420	Y344-H422 WeakPolarHBondContact O-CA 3.12Å; A345-H422 WeakPolarHBondContact CB-ND1 3.47Å; I376-H422 CarbonylContact C-O 3.56Å; I376-H422 WeakPolarHBondContact CA-O 3.49Å; H377-H422 HydrophobicContact CB-CB 4.32Å; H377-H422 PolarHBondContact N-O 2.88Å; H377-H422 PolarHBondContact O-N 3.34Å; E379-H422 IonicContact OE1-CD2 3.29Å; E379-H422 IonicContact OE1-NE2 2.91Å; V420-H422 WeakPolarHBondContact CG1-NE2 3.42Å
423	Y	97.9	Very high	95.4	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.016	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	162.6	172.1	61.7	-84.2	0	0	0	110.8	H233 L337 Y344 L369 A373 V421 F425	H233-Y423 AromaticContact CE1-CE2 3.88Å; H233-Y423 AromaticContact CE1-CZ 3.75Å; H233-Y423 PolarHBondContact CE1-OH 3.17Å; H233-Y423 AromaticContact NE2-CE2 3.61Å; H233-Y423 AromaticContact NE2-CZ 3.82Å; H233-Y423 PolarHBondContact NE2-OH 3.28Å; H233-Y423 VanDerWaalsContact NE2-OH 3.1Å; L337-Y423 HydrophobicContact CD1-CE1 4.44Å; L337-Y423 WeakPolarHBondContact CD1-OH 3.2Å; Y344-Y423 VanDerWaalsContact CB-CE2 3.5Å; Y344-Y423 WeakPolarHBondContact CB-OH 3.31Å; Y344-Y423 HydrophobicContact CD1-CE2 4.49Å; Y344-Y423 HydrophobicContact CD2-CE2 4.17Å; Y344-Y423 AromaticContact CG-CE2 3.82Å; Y344-Y423 HydrophobicContact CG-CE2 3.82Å; Y344-Y423 AromaticContact CG-CZ 3.93Å; Y344-Y423 PolarHBondContact N-O 3.18Å; Y344-Y423 PolarHBondContact O-N 3.11Å; L369-Y423 HydrophobicContact CD1-CD1 4.17Å; L369-Y423 HydrophobicContact CD1-CG 4.28Å; L369-Y423 HydrophobicContact CD2-CD1 3.79Å; L369-Y423 HydrophobicContact CD2-CE1 3.62Å; L369-Y423 HydrophobicContact CD2-CG 4.45Å; A373-Y423 HydrophobicContact CB-CD2 3.86Å; A373-Y423 HydrophobicContact CB-CG 4.4Å; V421-Y423 HydrophobicContact CG1-CD1 4.31Å; Y423-F425 HydrophobicContact CD2-CB 4.17Å; Y423-F425 HydrophobicContact CE2-CB 4.01Å
424	T	97.8	Very high	95.4	Very high	39 Å²	39	48 Å²	48	24%	0.239	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137	173.4	53.6	0	0	0	0	110.2	D342 Q343 R374 N375	D342-T424 VanDerWaalsContact O-CA 3.31Å; D342-T424 WeakPolarHBondContact O-CA 3.26Å; Q343-T424 HydrophobicContact CG-CG2 4.17Å; R374-T424 PolarHBondContact N-O 2.97Å; R374-T424 PolarHBondContact O-N 2.99Å; R374-T424 PolarHBondContact O-OG1 2.86Å; N375-T424 HydrophobicContact CB-CG2 4.45Å; N375-T424 PolarHBondContact ND2-OG1 3.19Å
425	F	96.8	Very high	95.4	Very high	9 Å²	9	51.5 Å²	51.5	4%	0.039	27%	0.268	C	S	.	.			trans	-143.3	128.9	179.2	174.8	-95.4	0	0	0	110.7	H233 D342 Y344 P370 E371 Y423 K427 L429 M430	H233-F425 AromaticContact CD2-CD1 3.46Å; H233-F425 VanDerWaalsContact CD2-CD1 3.46Å; H233-F425 WeakPolarHBondContact CD2-CD1 3.27Å; H233-F425 AromaticContact CD2-CE1 3.7Å; H233-F425 AromaticContact NE2-CD1 3.93Å; D342-F425 PolarHBondContact O-N 3.42Å; Y344-F425 HydrophobicContact CD2-CB 3.86Å; Y344-F425 HydrophobicContact CE2-CB 3.77Å; Y344-F425 HydrophobicContact CE2-CD1 4.1Å; Y344-F425 HydrophobicContact CE2-CG 4.44Å; P370-F425 HydrophobicContact CB-CD2 4.49Å; P370-F425 HydrophobicContact CB-CE2 4.21Å; E371-F425 VanDerWaalsContact O-CE2 3.3Å; E371-F425 WeakPolarHBondContact O-CE2 3.37Å; Y423-F425 HydrophobicContact CD2-CB 4.17Å; Y423-F425 HydrophobicContact CE2-CB 4.01Å; F425-K427 PolarHBondContact O-N 3Å; F425-L429 HydrophobicContact CE2-CB 4.46Å; F425-L429 HydrophobicContact CZ-CB 4.4Å; F425-M430 HydrophobicContact CE1-CG 3.58Å; F425-M430 HydrophobicContact CE1-SD 4.04Å; F425-M430 HydrophobicContact CZ-CG 3.55Å
426	N	94.6	Very high	95.3	Very high	85 Å²	85	54 Å²	54	46%	0.455	28%	0.282	S	S	.	.			trans	-84.7	113.4	177.4	179.9	-6.4	0	0	0	109.8	V428 L429	N426-V428 PolarHBondContact O-N 2.83Å; N426-V428 VanDerWaalsContact O-N 3.09Å; N426-V428 WeakPolarHBondContact OD1-CB 3.37Å; N426-V428 PolarHBondContact OD1-N 2.97Å; N426-L429 WeakPolarHBondContact O-CB 3.42Å; N426-L429 PolarHBondContact O-N 2.62Å
427	K	91.3	Very high	95.3	Very high	104 Å²	104	54.5 Å²	54.5	45%	0.452	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-55.4	-29.7	-179	-68.9	179.9	-179.1	176.6	0	114.2	Y344 F425 L429 M430	Y344-K427 WeakPolarHBondContact OH-CE 3.37Å; Y344-K427 WeakPolarHBondContact OH-CG 3.37Å; F425-K427 PolarHBondContact O-N 3Å; K427-L429 PolarHBondContact O-N 2.9Å; K427-M430 WeakPolarHBondContact O-CB 3.32Å; K427-M430 PolarHBondContact O-N 3.25Å
428	V	93	Very high	95.4	Very high	97 Å²	97	55.2 Å²	55.2	59%	0.588	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-63.3	-27.8	178.2	-178.3	0	0	0	0	111.5	N426 M430 L431	N426-V428 PolarHBondContact O-N 2.83Å; N426-V428 VanDerWaalsContact O-N 3.09Å; N426-V428 WeakPolarHBondContact OD1-CB 3.37Å; N426-V428 PolarHBondContact OD1-N 2.97Å; V428-M430 PolarHBondContact O-N 3.22Å; V428-L431 HydrophobicContact CG1-CD1 4.47Å; V428-L431 WeakPolarHBondContact O-CB 3.34Å; V428-L431 PolarHBondContact O-N 3.24Å; V428-L431 VanDerWaalsContact O-N 3.09Å
429	L	92.4	Very high	95.4	Very high	44 Å²	44	53.4 Å²	53.4	23%	0.23	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-65.1	-24	-179.9	-155.8	149.3	0	0	0	112	E371 F425 N426 K427 L431 Q432	E371-L429 WeakPolarHBondContact O-CD2 3.45Å; F425-L429 HydrophobicContact CE2-CB 4.46Å; F425-L429 HydrophobicContact CZ-CB 4.4Å; N426-L429 WeakPolarHBondContact O-CB 3.42Å; N426-L429 PolarHBondContact O-N 2.62Å; K427-L429 PolarHBondContact O-N 2.9Å; L429-L431 PolarHBondContact O-N 3.44Å; L429-L431 VanDerWaalsContact O-N 3.16Å; L429-Q432 WeakPolarHBondContact O-CB 3.36Å; L429-Q432 PolarHBondContact O-N 3.45Å
430	M	92	Very high	95.4	Very high	38 Å²	38	56.1 Å²	56.1	19%	0.187	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-60	-26.1	173.3	-63.5	-179.4	65.1	0	0	113.2	H233 W234 F425 K427 V428 Q432 E433 P434	H233-M430 HydrophobicContact CB-CE 3.87Å; H233-M430 HydrophobicContact CB-SD 3.83Å; H233-M430 WeakPolarHBondContact O-CE 3.43Å; W234-M430 HydrophobicContact CD2-CE 3.85Å; W234-M430 HydrophobicContact CE3-CE 4.17Å; W234-M430 HydrophobicContact CG-CE 4.18Å; W234-M430 HydrophobicContact CZ2-CB 4.47Å; W234-M430 HydrophobicContact CZ2-CE 4.37Å; F425-M430 HydrophobicContact CE1-CG 3.58Å; F425-M430 HydrophobicContact CE1-SD 4.04Å; F425-M430 HydrophobicContact CZ-CG 3.55Å; K427-M430 WeakPolarHBondContact O-CB 3.32Å; K427-M430 PolarHBondContact O-N 3.25Å; V428-M430 PolarHBondContact O-N 3.22Å; M430-Q432 PolarHBondContact O-N 3.16Å; M430-E433 PolarHBondContact O-N 3.41Å; M430-P434 VanDerWaalsContact O-CD 3.24Å; M430-P434 WeakPolarHBondContact O-CD 3.17Å
431	L	93.6	Very high	95.4	Very high	106 Å²	106	60.5 Å²	60.5	56%	0.555	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-68.7	-16.7	176.8	-65.8	175.8	0	0	0	112.8	V428 L429 E433 P434 L435	V428-L431 HydrophobicContact CG1-CD1 4.47Å; V428-L431 WeakPolarHBondContact O-CB 3.34Å; V428-L431 PolarHBondContact O-N 3.24Å; V428-L431 VanDerWaalsContact O-N 3.09Å; L429-L431 PolarHBondContact O-N 3.44Å; L429-L431 VanDerWaalsContact O-N 3.16Å; L431-E433 VanDerWaalsContact C-N 3.33Å; L431-E433 PolarHBondContact O-N 3.33Å; L431-P434 WeakPolarHBondContact O-CD 3.24Å; L431-L435 HydrophobicContact CB-CD1 4.44Å; L431-L435 WeakPolarHBondContact O-CB 3.45Å; L431-L435 WeakPolarHBondContact O-CD1 3.28Å; L431-L435 WeakPolarHBondContact O-CG 3.27Å; L431-L435 PolarHBondContact O-N 3.01Å
432	Q	92.9	Very high	95.4	Very high	48 Å²	48	67.8 Å²	67.8	22%	0.224	36%	0.362	C	S	.	.	H	α-helix	trans	-60	-43.7	177.5	-172.7	-173.5	-62.9	0	0	111.5	E371 T398 L429 M430 L435 L436	E371-Q432 PolarHBondContact OE2-NE2 3.35Å; T398-Q432 PolarHBondContact OG1-NE2 3.46Å; L429-Q432 WeakPolarHBondContact O-CB 3.36Å; L429-Q432 PolarHBondContact O-N 3.45Å; M430-Q432 PolarHBondContact O-N 3.16Å; Q432-L435 PolarHBondContact O-N 2.87Å; Q432-L436 HydrophobicContact CG-CD1 4.25Å; Q432-L436 HydrophobicContact CG-CG 4.43Å; Q432-L436 VanDerWaalsContact O-CG 3.31Å; Q432-L436 WeakPolarHBondContact O-CG 3.09Å; Q432-L436 PolarHBondContact O-N 2.87Å
433	E	92.8	Very high	95.4	Very high	31 Å²	31	69.9 Å²	69.9	15%	0.145	37%	0.374	C	S	.	.	H	α-helix	trans	-61.1	-51.4	-176.4	-69.8	177	-163.7	0	0	112.5	W234 L396 R401 M430 L431 L435 L436	W234-E433 PolarHBondContact NE1-OE2 2.93Å; L396-E433 HydrophobicContact CB-CB 4.24Å; L396-E433 HydrophobicContact CB-CG 4.02Å; L396-E433 HydrophobicContact CD1-CB 4.15Å; R401-E433 IonicContact NH2-OE1 3.55Å; M430-E433 PolarHBondContact O-N 3.41Å; L431-E433 VanDerWaalsContact C-N 3.33Å; L431-E433 PolarHBondContact O-N 3.33Å; E433-L435 VanDerWaalsContact C-N 3.34Å; E433-L435 PolarHBondContact O-N 3.46Å; E433-L436 PolarHBondContact O-N 3.25Å
434	P	95.6	Very high	95.4	Very high	56 Å²	56	74.4 Å²	74.4	36%	0.364	40%	0.398	S	S	.	.	H	α-helix	trans	-61.3	-38.5	172.1	-24.6	33.2	0	0	0	113.7	W234 M430 L431 L436 V437 V438	W234-P434 HydrophobicContact CH2-CG 3.95Å; W234-P434 HydrophobicContact CZ2-CG 4.17Å; M430-P434 VanDerWaalsContact O-CD 3.24Å; M430-P434 WeakPolarHBondContact O-CD 3.17Å; L431-P434 WeakPolarHBondContact O-CD 3.24Å; P434-L436 VanDerWaalsContact C-N 3.31Å; P434-L436 PolarHBondContact O-N 3.44Å; P434-V437 PolarHBondContact O-N 2.97Å; P434-V438 WeakPolarHBondContact O-CG2 3.45Å; P434-V438 PolarHBondContact O-N 2.85Å
435	L	96	Very high	95.4	Very high	114 Å²	114	79 Å²	79	60%	0.597	42%	0.415	S	S	*	.	H	α-helix	trans	-67.4	-30.5	-179.1	-73.1	174.1	0	0	0	112.5	L431 Q432 E433 V438 G439	L431-L435 HydrophobicContact CB-CD1 4.44Å; L431-L435 WeakPolarHBondContact O-CB 3.45Å; L431-L435 WeakPolarHBondContact O-CD1 3.28Å; L431-L435 WeakPolarHBondContact O-CG 3.27Å; L431-L435 PolarHBondContact O-N 3.01Å; Q432-L435 PolarHBondContact O-N 2.87Å; E433-L435 VanDerWaalsContact C-N 3.34Å; E433-L435 PolarHBondContact O-N 3.46Å; L435-V438 PolarHBondContact O-N 3.24Å; L435-G439 PolarHBondContact O-N 3.34Å
436	L	95.2	Very high	95.4	Very high	67 Å²	67	83.3 Å²	83.3	35%	0.351	43%	0.434	S	S	.	.	H	α-helix	trans	-61.8	-44.7	172.2	-73.9	165.9	0	0	0	111.3	L396 T398 Q432 E433 P434 G439 A440	L396-L436 WeakPolarHBondContact O-CD1 3.46Å; T398-L436 HydrophobicContact CG2-CD1 3.49Å; T398-L436 VanDerWaalsContact CG2-CD1 3.49Å; T398-L436 HydrophobicContact CG2-CD2 3.77Å; T398-L436 HydrophobicContact CG2-CG 4.25Å; Q432-L436 HydrophobicContact CG-CD1 4.25Å; Q432-L436 HydrophobicContact CG-CG 4.43Å; Q432-L436 VanDerWaalsContact O-CG 3.31Å; Q432-L436 WeakPolarHBondContact O-CG 3.09Å; Q432-L436 PolarHBondContact O-N 2.87Å; E433-L436 PolarHBondContact O-N 3.25Å; P434-L436 VanDerWaalsContact C-N 3.31Å; P434-L436 PolarHBondContact O-N 3.44Å; L436-G439 PolarHBondContact O-N 3.46Å; L436-A440 PolarHBondContact O-N 3.42Å
437	V	96.6	Very high	95.5	Very high	59 Å²	59	83 Å²	83	36%	0.358	44%	0.435	S	S	.	.	H	α-helix	trans	-64.2	-47.2	177	-178.7	0	0	0	0	110.5	L396 P434 G439 A440 F441	L396-V437 HydrophobicContact CD1-CG2 4.43Å; L396-V437 HydrophobicContact CD2-CG2 3.7Å; P434-V437 PolarHBondContact O-N 2.97Å; V437-G439 VanDerWaalsContact C-N 3.31Å; V437-G439 PolarHBondContact O-N 3.42Å; V437-A440 PolarHBondContact O-N 3.21Å; V437-F441 HydrophobicContact CG1-CD2 3.84Å; V437-F441 HydrophobicContact CG1-CE2 3.77Å; V437-F441 WeakPolarHBondContact O-CD2 3.01Å; V437-F441 PolarHBondContact O-N 3.39Å; V437-F441 VanDerWaalsContact O-N 3.08Å
438	V	97.8	Very high	95.8	Very high	90 Å²	90	81.6 Å²	81.6	55%	0.545	44%	0.435	S	S	.	.	H	α-helix	trans	-58.1	-44.3	176	172.5	0	0	0	0	111.1	P434 L435 A440 F441 Y442	P434-V438 WeakPolarHBondContact O-CG2 3.45Å; P434-V438 PolarHBondContact O-N 2.85Å; L435-V438 PolarHBondContact O-N 3.24Å; V438-A440 PolarHBondContact O-N 3.31Å; V438-F441 PolarHBondContact O-N 3.43Å; V438-Y442 VanDerWaalsContact O-CB 3.28Å; V438-Y442 WeakPolarHBondContact O-CB 3.42Å; V438-Y442 PolarHBondContact O-N 3.37Å
439	G	96.8	Very high	96	Very high	29 Å²	29	80.3 Å²	80.3	30%	0.299	42%	0.424	S	S	.	.	H	α-helix	trans	-59	-44.8	177	0	0	0	0	0	112.4	L435 L436 V437 Y442 I443	L435-G439 PolarHBondContact O-N 3.34Å; L436-G439 PolarHBondContact O-N 3.46Å; V437-G439 VanDerWaalsContact C-N 3.31Å; V437-G439 PolarHBondContact O-N 3.42Å; G439-Y442 PolarHBondContact O-N 3.47Å; G439-I443 VanDerWaalsContact O-CG1 3.27Å; G439-I443 WeakPolarHBondContact O-CG1 3.47Å; G439-I443 PolarHBondContact O-N 3.5Å
440	A	96.5	Very high	96.2	Very high	62 Å²	62	81.9 Å²	81.9	51%	0.512	43%	0.432	S	S	.	.	H	α-helix	trans	-61.1	-47.1	177.5	0	0	0	0	0	112.3	L436 V437 V438 I443 L444	L436-A440 PolarHBondContact O-N 3.42Å; V437-A440 PolarHBondContact O-N 3.21Å; V438-A440 PolarHBondContact O-N 3.31Å; A440-I443 PolarHBondContact O-N 3.2Å; A440-L444 PolarHBondContact O-N 2.82Å
441	F	97.6	Very high	96.4	Very high	122 Å²	122	88 Å²	88	54%	0.535	45%	0.454	S	S	.	.	H	α-helix	trans	-66.1	-38.8	176	-81.5	-76.5	0	0	0	112.5	V437 V438 I443 L444 F445	V437-F441 HydrophobicContact CG1-CD2 3.84Å; V437-F441 HydrophobicContact CG1-CE2 3.77Å; V437-F441 WeakPolarHBondContact O-CD2 3.01Å; V437-F441 PolarHBondContact O-N 3.39Å; V437-F441 VanDerWaalsContact O-N 3.08Å; V438-F441 PolarHBondContact O-N 3.43Å; F441-I443 VanDerWaalsContact C-N 3.34Å; F441-I443 PolarHBondContact O-N 3.18Å; F441-L444 WeakPolarHBondContact O-CB 3.46Å; F441-L444 PolarHBondContact O-N 3.28Å; F441-F445 WeakPolarHBondContact O-CD2 3.34Å; F441-F445 PolarHBondContact O-N 3.2Å
442	Y	98.1	Very high	96.5	Very high	155 Å²	155	88.1 Å²	88.1	61%	0.608	46%	0.459	S	S	*	.	H	α-helix	trans	-61.1	-43.3	177.1	-176.6	-94.6	0	0	0	111.6	V438 G439 L444 F445 F446	V438-Y442 VanDerWaalsContact O-CB 3.28Å; V438-Y442 WeakPolarHBondContact O-CB 3.42Å; V438-Y442 PolarHBondContact O-N 3.37Å; G439-Y442 PolarHBondContact O-N 3.47Å; Y442-L444 VanDerWaalsContact C-N 3.31Å; Y442-L444 PolarHBondContact O-N 2.9Å; Y442-F445 PolarHBondContact O-N 3.44Å; Y442-F446 HydrophobicContact CE1-CB 4.43Å; Y442-F446 VanDerWaalsContact O-CB 3.24Å; Y442-F446 WeakPolarHBondContact O-CB 3.39Å; Y442-F446 PolarHBondContact O-N 3.47Å
443	I	97.8	Very high	96.6	Very high	108 Å²	108	95.2 Å²	95.2	55%	0.554	48%	0.484	S	S	*	.	H	α-helix	trans	-60.7	-41.4	176	-69.3	164.5	0	0	0	110.9	G439 A440 F441 F446 T447	G439-I443 VanDerWaalsContact O-CG1 3.27Å; G439-I443 WeakPolarHBondContact O-CG1 3.47Å; G439-I443 PolarHBondContact O-N 3.5Å; A440-I443 PolarHBondContact O-N 3.2Å; F441-I443 VanDerWaalsContact C-N 3.34Å; F441-I443 PolarHBondContact O-N 3.18Å; I443-F446 PolarHBondContact O-N 2.98Å; I443-T447 WeakPolarHBondContact O-CB 3.39Å; I443-T447 PolarHBondContact O-N 2.89Å; I443-T447 PolarHBondContact O-OG1 3.23Å
444	L	97.7	Very high	96.5	Very high	100 Å²	100	97.7 Å²	97.7	52%	0.524	50%	0.498	S	S	.	.	H	α-helix	trans	-59.4	-53.1	176.2	178	66	0	0	0	111.4	A440 F441 Y442 F446 T447 V448	A440-L444 PolarHBondContact O-N 2.82Å; F441-L444 WeakPolarHBondContact O-CB 3.46Å; F441-L444 PolarHBondContact O-N 3.28Å; Y442-L444 VanDerWaalsContact C-N 3.31Å; Y442-L444 PolarHBondContact O-N 2.9Å; L444-F446 VanDerWaalsContact C-N 3.34Å; L444-F446 PolarHBondContact O-N 3.25Å; L444-T447 WeakPolarHBondContact O-CB 3.42Å; L444-T447 PolarHBondContact O-N 2.87Å; L444-V448 WeakPolarHBondContact O-CG2 3.32Å; L444-V448 PolarHBondContact O-N 3.2Å
445	F	97.5	Very high	95.9	Very high	134 Å²	134	99.8 Å²	99.8	59%	0.588	51%	0.506	S	S	*	.	H	α-helix	trans	-63.7	-39.7	179.3	-76.1	-68.8	0	0	0	112.4	F441 Y442 T447 V448 I449	F441-F445 WeakPolarHBondContact O-CD2 3.34Å; F441-F445 PolarHBondContact O-N 3.2Å; Y442-F445 PolarHBondContact O-N 3.44Å; F445-T447 VanDerWaalsContact C-N 3.31Å; F445-T447 PolarHBondContact O-N 2.97Å; F445-V448 PolarHBondContact O-N 3.26Å; F445-I449 WeakPolarHBondContact O-CG1 3.34Å; F445-I449 PolarHBondContact O-N 2.93Å
446	F	97.8	Very high	95.6	Very high	101 Å²	101	101.9 Å²	101.9	44%	0.443	51%	0.51	S	S	.	.	H	α-helix	trans	-63.6	-39.2	176.6	-171.3	-105.9	0	0	0	111.7	Y442 I443 L444 I449 I450	Y442-F446 HydrophobicContact CE1-CB 4.43Å; Y442-F446 VanDerWaalsContact O-CB 3.24Å; Y442-F446 WeakPolarHBondContact O-CB 3.39Å; Y442-F446 PolarHBondContact O-N 3.47Å; I443-F446 PolarHBondContact O-N 2.98Å; L444-F446 VanDerWaalsContact C-N 3.34Å; L444-F446 PolarHBondContact O-N 3.25Å; F446-I449 PolarHBondContact O-N 3.16Å; F446-I450 HydrophobicContact CD1-CD1 3.67Å; F446-I450 HydrophobicContact CD1-CG1 4.4Å; F446-I450 HydrophobicContact CE1-CD1 3.34Å; F446-I450 HydrophobicContact CE1-CG1 4.16Å; F446-I450 HydrophobicContact CZ-CD1 4.02Å; F446-I450 HydrophobicContact CZ-CG1 4.44Å; F446-I450 WeakPolarHBondContact O-CG1 3.24Å; F446-I450 PolarHBondContact O-N 2.92Å
447	T	97.4	Very high	95.3	Very high	79 Å²	79	101.3 Å²	101.3	49%	0.485	51%	0.512	S	S	.	.	H	α-helix	trans	-62.8	-42.6	174.4	-57	0	0	0	0	111.2	I443 L444 F445 I450 Y451	I443-T447 WeakPolarHBondContact O-CB 3.39Å; I443-T447 PolarHBondContact O-N 2.89Å; I443-T447 PolarHBondContact O-OG1 3.23Å; L444-T447 WeakPolarHBondContact O-CB 3.42Å; L444-T447 PolarHBondContact O-N 2.87Å; F445-T447 VanDerWaalsContact C-N 3.31Å; F445-T447 PolarHBondContact O-N 2.97Å; T447-I450 PolarHBondContact O-N 3.24Å; T447-Y451 WeakPolarHBondContact O-CB 3.47Å; T447-Y451 PolarHBondContact O-N 3.05Å
448	V	97.6	Very high	94.8	Very high	74 Å²	74	106.7 Å²	106.7	45%	0.448	54%	0.537	S	S	.	.	H	α-helix	trans	-61.3	-45	173.7	173.7	0	0	0	0	111.1	L444 F445 I450 Y451 V452	L444-V448 WeakPolarHBondContact O-CG2 3.32Å; L444-V448 PolarHBondContact O-N 3.2Å; F445-V448 PolarHBondContact O-N 3.26Å; V448-I450 VanDerWaalsContact C-N 3.32Å; V448-I450 PolarHBondContact O-N 3.03Å; V448-Y451 PolarHBondContact O-N 3.21Å; V448-Y451 VanDerWaalsContact O-N 3.16Å; V448-V452 HydrophobicContact CG1-CG1 4.31Å; V448-V452 WeakPolarHBondContact O-CG1 3.43Å; V448-V452 WeakPolarHBondContact O-CG2 3.41Å; V448-V452 PolarHBondContact O-N 2.84Å
449	I	97	Very high	94.3	Very high	70 Å²	70	108.1 Å²	108.1	36%	0.359	55%	0.546	S	S	.	.	H	α-helix	trans	-59	-43.1	177.4	-70.5	166.3	0	0	0	111.3	F445 F446 V452 R453	F445-I449 WeakPolarHBondContact O-CG1 3.34Å; F445-I449 PolarHBondContact O-N 2.93Å; F446-I449 PolarHBondContact O-N 3.16Å; I449-V452 WeakPolarHBondContact O-CG2 3.2Å; I449-R453 WeakPolarHBondContact O-CG 3.33Å; I449-R453 PolarHBondContact O-N 3.37Å
450	I	96.7	Very high	93.7	Very high	76 Å²	76	113.5 Å²	113.5	39%	0.39	56%	0.561	S	S	.	*	H	α-helix	trans	-62.3	-51.5	174.6	-71.1	170.6	0	0	0	109.3	F446 T447 V448 V452 R453 L454	F446-I450 HydrophobicContact CD1-CD1 3.67Å; F446-I450 HydrophobicContact CD1-CG1 4.4Å; F446-I450 HydrophobicContact CE1-CD1 3.34Å; F446-I450 HydrophobicContact CE1-CG1 4.16Å; F446-I450 HydrophobicContact CZ-CD1 4.02Å; F446-I450 HydrophobicContact CZ-CG1 4.44Å; F446-I450 WeakPolarHBondContact O-CG1 3.24Å; F446-I450 PolarHBondContact O-N 2.92Å; T447-I450 PolarHBondContact O-N 3.24Å; V448-I450 VanDerWaalsContact C-N 3.32Å; V448-I450 PolarHBondContact O-N 3.03Å; I450-V452 PolarHBondContact O-N 3.44Å; I450-R453 PolarHBondContact O-N 3.08Å; I450-L454 HydrophobicContact CG2-CD1 3.65Å; I450-L454 HydrophobicContact CG2-CG 4.22Å; I450-L454 WeakPolarHBondContact O-CG 3.44Å; I450-L454 PolarHBondContact O-N 3.23Å
451	Y	96.4	Very high	93.3	Very high	168 Å²	168	114.6 Å²	114.6	66%	0.659	56%	0.558	S	S	*	*	H	α-helix	trans	-57.4	-45.6	-175.5	-176.4	-104.5	0	0	0	112.7	T447 V448 R453 L454	T447-Y451 WeakPolarHBondContact O-CB 3.47Å; T447-Y451 PolarHBondContact O-N 3.05Å; V448-Y451 PolarHBondContact O-N 3.21Å; V448-Y451 VanDerWaalsContact O-N 3.16Å; Y451-R453 PolarHBondContact O-N 3Å; Y451-L454 PolarHBondContact O-N 3.42Å
452	V	95.3	Very high	92.7	Very high	108 Å²	108	113.3 Å²	113.3	66%	0.655	56%	0.562	S	S	*	*	H	α-helix	trans	-71.5	-12.3	179.1	-58.3	0	0	0	0	114	V448 I449 I450	V448-V452 HydrophobicContact CG1-CG1 4.31Å; V448-V452 WeakPolarHBondContact O-CG1 3.43Å; V448-V452 WeakPolarHBondContact O-CG2 3.41Å; V448-V452 PolarHBondContact O-N 2.84Å; I449-V452 WeakPolarHBondContact O-CG2 3.2Å; I450-V452 PolarHBondContact O-N 3.44Å
453	R	93.4	Very high	92	Very high	197 Å²	197	108.3 Å²	108.3	74%	0.743	55%	0.553	S	S	*	*	H	α-helix	trans	-97.1	-9.4	176.3	-73.6	-179.1	175.8	156.5	1.5	113.3	I449 I450 Y451 D455	I449-R453 WeakPolarHBondContact O-CG 3.33Å; I449-R453 PolarHBondContact O-N 3.37Å; I450-R453 PolarHBondContact O-N 3.08Å; Y451-R453 PolarHBondContact O-N 3Å; R453-D455 PolarHBondContact O-N 3.47Å
454	L	92.3	Very high	91.4	Very high	83 Å²	83	104.6 Å²	104.6	44%	0.435	54%	0.538	S	S	.	.			trans	-91	99.9	178.1	-66	174	0	0	0	109.8	I450 Y451 F456	I450-L454 HydrophobicContact CG2-CD1 3.65Å; I450-L454 HydrophobicContact CG2-CG 4.22Å; I450-L454 WeakPolarHBondContact O-CG 3.44Å; I450-L454 PolarHBondContact O-N 3.23Å; Y451-L454 PolarHBondContact O-N 3.42Å; L454-F456 HydrophobicContact CB-CD1 4.4Å; L454-F456 HydrophobicContact CB-CD2 3.97Å; L454-F456 HydrophobicContact CB-CE1 4.12Å; L454-F456 HydrophobicContact CB-CE2 3.66Å; L454-F456 HydrophobicContact CB-CG 4.34Å; L454-F456 HydrophobicContact CB-CZ 3.77Å; L454-F456 HydrophobicContact CD1-CE1 4.21Å; L454-F456 HydrophobicContact CD1-CE2 3.83Å; L454-F456 HydrophobicContact CD1-CZ 3.44Å; L454-F456 VanDerWaalsContact CD1-CZ 3.44Å; L454-F456 HydrophobicContact CG-CE2 4.37Å; L454-F456 HydrophobicContact CG-CZ 4.11Å; L454-F456 PolarHBondContact O-N 3.02Å
455	D	83	Confident	90.8	Very high	100 Å²	100	104.1 Å²	104.1	54%	0.535	53%	0.533	S	S	.	.			trans	-75.4	65.9	173.6	178.8	16.7	0	0	0	110.3	R453 S457 K460	R453-D455 PolarHBondContact O-N 3.47Å; D455-S457 VanDerWaalsContact CG-OG 3.31Å; D455-S457 PolarHBondContact O-N 3.48Å; D455-S457 VanDerWaalsContact OD1-CB 3.28Å; D455-S457 WeakPolarHBondContact OD1-CB 3.42Å; D455-S457 PolarHBondContact OD1-OG 3.05Å; D455-K460 VanDerWaalsContact OD2-CE 3.27Å; D455-K460 WeakPolarHBondContact OD2-CE 3.45Å; D455-K460 IonicContact OD2-NZ 2.91Å; D455-K460 PolarHBondContact OD2-NZ 3.46Å
456	F	89.2	Confident	90.3	Very high	158 Å²	158	100.1 Å²	100.1	69%	0.693	52%	0.52	S	S	*	.			trans	-63.9	25.6	-179.6	-66.7	-54.2	0	0	0	114.7	L454	L454-F456 HydrophobicContact CB-CD1 4.4Å; L454-F456 HydrophobicContact CB-CD2 3.97Å; L454-F456 HydrophobicContact CB-CE1 4.12Å; L454-F456 HydrophobicContact CB-CE2 3.66Å; L454-F456 HydrophobicContact CB-CG 4.34Å; L454-F456 HydrophobicContact CB-CZ 3.77Å; L454-F456 HydrophobicContact CD1-CE1 4.21Å; L454-F456 HydrophobicContact CD1-CE2 3.83Å; L454-F456 HydrophobicContact CD1-CZ 3.44Å; L454-F456 VanDerWaalsContact CD1-CZ 3.44Å; L454-F456 HydrophobicContact CG-CE2 4.37Å; L454-F456 HydrophobicContact CG-CZ 4.11Å; L454-F456 PolarHBondContact O-N 3.02Å
457	S	88.4	Confident	89.8	Confident	54 Å²	54	102.7 Å²	102.7	38%	0.378	53%	0.527	S	S	.	.			trans	-72.2	132.2	175.3	63.4	0	0	0	0	111.7	D455	D455-S457 VanDerWaalsContact CG-OG 3.31Å; D455-S457 PolarHBondContact O-N 3.48Å; D455-S457 VanDerWaalsContact OD1-CB 3.28Å; D455-S457 WeakPolarHBondContact OD1-CB 3.42Å; D455-S457 PolarHBondContact OD1-OG 3.05Å
458	I	85.6	Confident	89.3	Confident	172 Å²	172	105.8 Å²	105.8	88%	0.882	54%	0.537	S	S	*	.	S	Bend	trans	-83.2	-35.9	174.9	-60.8	172.5	0	0	0	110.3
459	T	89.1	Confident	88.9	Confident	121 Å²	121	106 Å²	106	74%	0.742	53%	0.532	S	S	*	.	S	Bend	trans	-131.1	127.5	176.5	51.6	0	0	0	0	109.2
460	K	84.2	Confident	88.6	Confident	142 Å²	142	103.6 Å²	103.6	62%	0.617	52%	0.521	S	S	*	.			trans	-83.4	133	177.9	-62	-165.6	174.5	-152.5	0	110.8	D455 P462	D455-K460 VanDerWaalsContact OD2-CE 3.27Å; D455-K460 WeakPolarHBondContact OD2-CE 3.45Å; D455-K460 IonicContact OD2-NZ 2.91Å; D455-K460 PolarHBondContact OD2-NZ 3.46Å; K460-P462 VanDerWaalsContact O-CD 3.26Å; K460-P462 WeakPolarHBondContact O-CD 3.45Å
461	D	87.5	Confident	88.3	Confident	85 Å²	85	103.7 Å²	103.7	46%	0.455	53%	0.528	S	S	.	.			trans	-89.2	104.2	170.7	176.5	10.7	0	0	0	109.6	A463 A464 E465 R467	D461-A463 PolarHBondContact O-N 3.25Å; D461-A463 WeakPolarHBondContact OD1-CB 3.39Å; D461-A463 PolarHBondContact OD1-N 2.93Å; D461-A464 HydrophobicContact CB-CB 4.01Å; D461-A464 PolarHBondContact O-N 3.09Å; D461-A464 WeakPolarHBondContact OD2-CB 3.41Å; D461-A464 PolarHBondContact OD2-N 3.16Å; D461-E465 PolarHBondContact O-N 3.26Å; D461-R467 IonicContact OD2-NH2 2.79Å
462	P	83.9	Confident	88	Confident	94 Å²	94	98.4 Å²	98.4	61%	0.61	52%	0.515	S	S	*	.	H	α-helix	trans	-63	-28	-179.3	26.5	-34.5	0	0	0	112.5	K460 E465 V466	K460-P462 VanDerWaalsContact O-CD 3.26Å; K460-P462 WeakPolarHBondContact O-CD 3.45Å; P462-E465 PolarHBondContact O-N 3.09Å; P462-V466 WeakPolarHBondContact O-CG2 3.34Å; P462-V466 PolarHBondContact O-N 3.08Å; P462-V466 VanDerWaalsContact O-N 3.08Å
463	A	84.2	Confident	87.9	Confident	50 Å²	50	93.4 Å²	93.4	41%	0.413	49%	0.485	S	S	.	.	H	α-helix	trans	-70.7	-36.2	178.6	0	0	0	0	0	111.7	D461 R467	D461-A463 PolarHBondContact O-N 3.25Å; D461-A463 WeakPolarHBondContact OD1-CB 3.39Å; D461-A463 PolarHBondContact OD1-N 2.93Å; A463-R467 WeakPolarHBondContact O-CG 3.42Å; A463-R467 PolarHBondContact O-N 3.24Å; A463-R467 VanDerWaalsContact O-N 3.16Å; A463-R467 PolarHBondContact O-NH1 3.41Å
464	A	84.8	Confident	87.8	Confident	30 Å²	30	84.4 Å²	84.4	25%	0.248	45%	0.452	C	S	.	.	H	α-helix	trans	-66	-40.8	173	0	0	0	0	0	112.2	D461 R467 M468	D461-A464 HydrophobicContact CB-CB 4.01Å; D461-A464 PolarHBondContact O-N 3.09Å; D461-A464 WeakPolarHBondContact OD2-CB 3.41Å; D461-A464 PolarHBondContact OD2-N 3.16Å; A464-R467 PolarHBondContact O-N 3.03Å; A464-M468 WeakPolarHBondContact O-CG 3.3Å; A464-M468 PolarHBondContact O-N 3.49Å
465	E	85.3	Confident	87.8	Confident	90 Å²	90	86.6 Å²	86.6	42%	0.421	46%	0.46	S	S	.	.	H	α-helix	trans	-63.8	-42.4	178.2	-165.3	-173.3	147.9	0	0	111.9	D461 P462 R467 M468 K469	D461-E465 PolarHBondContact O-N 3.26Å; P462-E465 PolarHBondContact O-N 3.09Å; E465-R467 PolarHBondContact O-N 3.37Å; E465-M468 PolarHBondContact O-N 2.73Å; E465-K469 WeakPolarHBondContact O-CG 3.45Å; E465-K469 PolarHBondContact O-N 3.5Å; E465-K469 WeakPolarHBondContact OE1-CE 3.25Å; E465-K469 IonicContact OE1-NZ 2.67Å; E465-K469 PolarHBondContact OE1-NZ 2.99Å
466	V	86.9	Confident	88.3	Confident	51 Å²	51	85.7 Å²	85.7	31%	0.309	45%	0.453	S	S	.	.	H	α-helix	trans	-61	-43.9	174.4	172.8	0	0	0	0	110.8	P462 M468 K469 V470 E535	P462-V466 WeakPolarHBondContact O-CG2 3.34Å; P462-V466 PolarHBondContact O-N 3.08Å; P462-V466 VanDerWaalsContact O-N 3.08Å; V466-M468 VanDerWaalsContact C-N 3.32Å; V466-M468 PolarHBondContact O-N 2.9Å; V466-K469 PolarHBondContact O-N 3.26Å; V466-V470 HydrophobicContact CG1-CG2 4.27Å; V466-V470 WeakPolarHBondContact O-CB 3.45Å; V466-V470 VanDerWaalsContact O-CG2 3.3Å; V466-V470 WeakPolarHBondContact O-CG2 3.41Å; V466-V470 PolarHBondContact O-N 3.42Å; V466-E535 HydrophobicContact CG1-CB 4.44Å
467	R	87.4	Confident	88.5	Confident	155 Å²	155	78.2 Å²	78.2	59%	0.585	42%	0.42	S	S	*	.	H	α-helix	trans	-58.3	-41.9	175	-72.5	-171.2	-60	-89.9	3.7	112.4	D461 A463 A464 E465 V470 S471	D461-R467 IonicContact OD2-NH2 2.79Å; A463-R467 WeakPolarHBondContact O-CG 3.42Å; A463-R467 PolarHBondContact O-N 3.24Å; A463-R467 VanDerWaalsContact O-N 3.16Å; A463-R467 PolarHBondContact O-NH1 3.41Å; A464-R467 PolarHBondContact O-N 3.03Å; E465-R467 PolarHBondContact O-N 3.37Å; R467-V470 PolarHBondContact O-N 2.97Å; R467-S471 WeakPolarHBondContact O-CB 3.17Å; R467-S471 PolarHBondContact O-N 2.95Å
468	M	87.6	Confident	88.8	Confident	143 Å²	143	78.6 Å²	78.6	70%	0.704	42%	0.418	S	S	*	.	H	α-helix	trans	-65.9	-42.2	177.3	-68.7	179.7	74.9	0	0	112.2	A464 E465 V466 S471 S472	A464-M468 WeakPolarHBondContact O-CG 3.3Å; A464-M468 PolarHBondContact O-N 3.49Å; E465-M468 PolarHBondContact O-N 2.73Å; V466-M468 VanDerWaalsContact C-N 3.32Å; V466-M468 PolarHBondContact O-N 2.9Å; M468-S471 PolarHBondContact O-N 3.24Å; M468-S472 PolarHBondContact O-N 2.98Å
469	K	88.7	Confident	89.2	Confident	80 Å²	80	74.6 Å²	74.6	35%	0.348	40%	0.401	S	S	.	.	H	α-helix	trans	-62.1	-46.2	175.4	-72.9	174.2	-175.1	164.2	0	111.6	E465 V466 S472 I473	E465-K469 WeakPolarHBondContact O-CG 3.45Å; E465-K469 PolarHBondContact O-N 3.5Å; E465-K469 WeakPolarHBondContact OE1-CE 3.25Å; E465-K469 IonicContact OE1-NZ 2.67Å; E465-K469 PolarHBondContact OE1-NZ 2.99Å; V466-K469 PolarHBondContact O-N 3.26Å; K469-S472 PolarHBondContact O-N 3.35Å; K469-I473 WeakPolarHBondContact O-CD1 3.47Å; K469-I473 VanDerWaalsContact O-CG1 3.25Å; K469-I473 WeakPolarHBondContact O-CG1 3.48Å; K469-I473 PolarHBondContact O-N 3.42Å
470	V	90.8	Very high	89.4	Confident	19 Å²	19	70.3 Å²	70.3	12%	0.115	37%	0.374	C	S	.	.	H	α-helix	trans	-59.1	-48.9	176.5	170	0	0	0	0	110.3	V466 R467 S472 I473 T474 L532 E535 L539	V466-V470 HydrophobicContact CG1-CG2 4.27Å; V466-V470 WeakPolarHBondContact O-CB 3.45Å; V466-V470 VanDerWaalsContact O-CG2 3.3Å; V466-V470 WeakPolarHBondContact O-CG2 3.41Å; V466-V470 PolarHBondContact O-N 3.42Å; R467-V470 PolarHBondContact O-N 2.97Å; V470-S472 PolarHBondContact O-N 3.03Å; V470-I473 PolarHBondContact O-N 3.04Å; V470-T474 WeakPolarHBondContact O-CB 3.47Å; V470-T474 PolarHBondContact O-N 3.32Å; V470-T474 PolarHBondContact O-OG1 2.87Å; V470-L532 HydrophobicContact CB-CD2 4.48Å; V470-L532 HydrophobicContact CG1-CD2 4.03Å; V470-E535 HydrophobicContact CG2-CB 4.05Å; V470-L539 HydrophobicContact CG1-CD1 3.83Å
471	S	89.4	Confident	89.8	Confident	78 Å²	78	63.6 Å²	63.6	55%	0.545	34%	0.344	S	S	.	.	H	α-helix	trans	-57.9	-44.9	177.5	179.6	0	0	0	0	112.8	R467 M468 I473 T474 E475	R467-S471 WeakPolarHBondContact O-CB 3.17Å; R467-S471 PolarHBondContact O-N 2.95Å; M468-S471 PolarHBondContact O-N 3.24Å; S471-I473 PolarHBondContact O-N 3.2Å; S471-T474 PolarHBondContact O-N 3Å; S471-E475 PolarHBondContact O-N 3.39Å
472	S	92	Very high	90	Very high	56 Å²	56	63.5 Å²	63.5	39%	0.392	34%	0.344	S	S	.	.	H	α-helix	trans	-64.1	-39.4	177	-178	0	0	0	0	113	M468 K469 V470 Q476	M468-S472 PolarHBondContact O-N 2.98Å; K469-S472 PolarHBondContact O-N 3.35Å; V470-S472 PolarHBondContact O-N 3.03Å; S472-Q476 WeakPolarHBondContact O-CG 3.46Å; S472-Q476 PolarHBondContact O-N 3.4Å; S472-Q476 PolarHBondContact O-NE2 2.99Å
473	I	92.2	Very high	90.4	Very high	3 Å²	3	65.5 Å²	65.5	2%	0.015	34%	0.343	C	S	.	.	H	α-helix	trans	-68.2	-41.6	176.8	-65.6	162.8	0	0	0	110.1	K469 V470 S471 E475 Q476 V477 L528 R531 L532 E535	K469-I473 WeakPolarHBondContact O-CD1 3.47Å; K469-I473 VanDerWaalsContact O-CG1 3.25Å; K469-I473 WeakPolarHBondContact O-CG1 3.48Å; K469-I473 PolarHBondContact O-N 3.42Å; V470-I473 PolarHBondContact O-N 3.04Å; S471-I473 PolarHBondContact O-N 3.2Å; I473-E475 PolarHBondContact O-N 3Å; I473-Q476 WeakPolarHBondContact O-CB 3.39Å; I473-Q476 PolarHBondContact O-N 3.31Å; I473-V477 WeakPolarHBondContact O-CG2 3.36Å; I473-V477 PolarHBondContact O-N 3.48Å; I473-L528 HydrophobicContact CG2-CB 4.01Å; I473-L528 HydrophobicContact CG2-CD2 4.19Å; I473-R531 HydrophobicContact CD1-CB 4.05Å; I473-L532 HydrophobicContact CB-CD2 3.85Å; I473-L532 HydrophobicContact CB-CG 4.33Å; I473-L532 HydrophobicContact CD1-CD2 4.45Å; I473-L532 HydrophobicContact CG2-CD1 4.18Å; I473-L532 HydrophobicContact CG2-CD2 3.65Å; I473-L532 HydrophobicContact CG2-CG 3.56Å; I473-E535 HydrophobicContact CD1-CG 4.47Å
474	T	91.4	Very high	90.8	Very high	9 Å²	9	63.2 Å²	63.2	6%	0.055	32%	0.323	C	S	.	.	H	α-helix	trans	-62.2	-41.8	177.9	-61	0	0	0	0	112.3	V470 S471 Q476 V477 L478 L602	V470-T474 WeakPolarHBondContact O-CB 3.47Å; V470-T474 PolarHBondContact O-N 3.32Å; V470-T474 PolarHBondContact O-OG1 2.87Å; S471-T474 PolarHBondContact O-N 3Å; T474-Q476 VanDerWaalsContact C-N 3.31Å; T474-Q476 PolarHBondContact O-N 2.82Å; T474-V477 WeakPolarHBondContact O-CB 3.44Å; T474-V477 PolarHBondContact O-N 3.15Å; T474-V477 VanDerWaalsContact O-N 3.14Å; T474-L478 PolarHBondContact O-N 3.15Å; T474-L602 HydrophobicContact CG2-CB 3.65Å; T474-L602 WeakPolarHBondContact CG2-O 3.19Å
475	E	92.8	Very high	91	Very high	129 Å²	129	62.3 Å²	62.3	60%	0.603	31%	0.314	S	S	*	.	H	α-helix	trans	-61.5	-39.1	175.5	-171.3	-179.2	-177.8	0	0	112.1	S471 I473 L478 T479	S471-E475 PolarHBondContact O-N 3.39Å; I473-E475 PolarHBondContact O-N 3Å; E475-L478 PolarHBondContact O-N 2.81Å; E475-T479 PolarHBondContact O-N 3.08Å; E475-T479 PolarHBondContact O-OG1 3.22Å
476	Q	93.4	Very high	91.3	Very high	81 Å²	81	59.5 Å²	59.5	38%	0.379	31%	0.31	S	S	.	.	H	α-helix	trans	-64.7	-42.9	173.4	-69.7	171	45.1	0	0	111.5	S472 I473 T474 T479 L480 L528	S472-Q476 WeakPolarHBondContact O-CG 3.46Å; S472-Q476 PolarHBondContact O-N 3.4Å; S472-Q476 PolarHBondContact O-NE2 2.99Å; I473-Q476 WeakPolarHBondContact O-CB 3.39Å; I473-Q476 PolarHBondContact O-N 3.31Å; T474-Q476 VanDerWaalsContact C-N 3.31Å; T474-Q476 PolarHBondContact O-N 2.82Å; Q476-T479 PolarHBondContact O-N 3.47Å; Q476-L480 WeakPolarHBondContact O-CG 3.46Å; Q476-L480 PolarHBondContact O-N 3.38Å; Q476-L528 HydrophobicContact CB-CD1 3.7Å
477	V	93.4	Very high	91.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.1	-47.8	175.2	172.2	0	0	0	0	110.7	I473 T474 T479 L480 V481 I525 L528 V543	I473-V477 WeakPolarHBondContact O-CG2 3.36Å; I473-V477 PolarHBondContact O-N 3.48Å; T474-V477 WeakPolarHBondContact O-CB 3.44Å; T474-V477 PolarHBondContact O-N 3.15Å; T474-V477 VanDerWaalsContact O-N 3.14Å; V477-T479 VanDerWaalsContact C-N 3.3Å; V477-T479 PolarHBondContact O-N 2.93Å; V477-L480 PolarHBondContact O-N 3.08Å; V477-L480 VanDerWaalsContact O-N 3.16Å; V477-V481 HydrophobicContact CG1-CG2 4.06Å; V477-V481 VanDerWaalsContact O-CG2 3.32Å; V477-V481 WeakPolarHBondContact O-CG2 3.43Å; V477-V481 PolarHBondContact O-N 3.39Å; V477-I525 HydrophobicContact CG1-CG2 4.32Å; V477-L528 HydrophobicContact CG2-CB 3.61Å; V477-L528 HydrophobicContact CG2-CD1 3.71Å; V477-L528 HydrophobicContact CG2-CG 4.33Å; V477-V543 HydrophobicContact CG1-CG1 3.97Å; V477-V543 HydrophobicContact CG1-CG2 3.85Å; V477-V543 HydrophobicContact CG2-CG2 4.48Å
478	L	93.3	Very high	91.6	Very high	63 Å²	63	51.3 Å²	51.3	33%	0.33	28%	0.275	S	S	.	.	H	α-helix	trans	-57.2	-45.2	178.4	-178	63.3	0	0	0	111.3	T474 E475 L480 V481 N482 L599	T474-L478 PolarHBondContact O-N 3.15Å; E475-L478 PolarHBondContact O-N 2.81Å; L478-L480 PolarHBondContact O-N 3.48Å; L478-V481 PolarHBondContact O-N 3.4Å; L478-N482 WeakPolarHBondContact O-CB 3.48Å; L478-N482 PolarHBondContact O-N 2.9Å; L478-N482 PolarHBondContact O-ND2 3.27Å; L478-L599 HydrophobicContact CD1-CB 4Å; L478-L599 HydrophobicContact CD1-CD1 3.99Å; L478-L599 HydrophobicContact CD1-CD2 3.94Å; L478-L599 HydrophobicContact CD1-CG 4.19Å
479	T	94.3	Very high	91.6	Very high	87 Å²	87	52.5 Å²	52.5	53%	0.534	27%	0.272	S	S	.	.	H	α-helix	trans	-59.3	-45.7	176.6	-58.6	0	0	0	0	111.8	E475 Q476 V477 K483	E475-T479 PolarHBondContact O-N 3.08Å; E475-T479 PolarHBondContact O-OG1 3.22Å; Q476-T479 PolarHBondContact O-N 3.47Å; V477-T479 VanDerWaalsContact C-N 3.3Å; V477-T479 PolarHBondContact O-N 2.93Å; T479-K483 WeakPolarHBondContact O-CB 3.45Å; T479-K483 PolarHBondContact O-N 3.42Å
480	L	94.7	Very high	91.7	Very high	32 Å²	32	53.3 Å²	53.3	17%	0.168	28%	0.277	C	S	.	.	H	α-helix	trans	-70.7	-38.1	-179.8	-66.2	179.1	0	0	0	112.8	Q476 V477 L478 K483 R484 L521 D524 I525 L528	Q476-L480 WeakPolarHBondContact O-CG 3.46Å; Q476-L480 PolarHBondContact O-N 3.38Å; V477-L480 PolarHBondContact O-N 3.08Å; V477-L480 VanDerWaalsContact O-N 3.16Å; L478-L480 PolarHBondContact O-N 3.48Å; L480-K483 PolarHBondContact O-N 3Å; L480-R484 WeakPolarHBondContact O-CB 3.43Å; L480-R484 PolarHBondContact O-N 3.16Å; L480-L521 HydrophobicContact CD2-CD2 3.77Å; L480-D524 HydrophobicContact CD1-CB 3.74Å; L480-I525 HydrophobicContact CB-CD1 3.99Å; L480-I525 HydrophobicContact CB-CG1 3.67Å; L480-I525 HydrophobicContact CD1-CG1 3.97Å; L480-L528 HydrophobicContact CD1-CD1 3.68Å
481	V	92.6	Very high	91.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.4	-43.3	175.9	176.1	0	0	0	0	110.5	V477 L478 K483 R484 L485 I525 V546 I595 L599	V477-V481 HydrophobicContact CG1-CG2 4.06Å; V477-V481 VanDerWaalsContact O-CG2 3.32Å; V477-V481 WeakPolarHBondContact O-CG2 3.43Å; V477-V481 PolarHBondContact O-N 3.39Å; L478-V481 PolarHBondContact O-N 3.4Å; V481-K483 VanDerWaalsContact C-N 3.34Å; V481-K483 PolarHBondContact O-N 3.38Å; V481-R484 WeakPolarHBondContact O-CB 3.4Å; V481-R484 PolarHBondContact O-N 3.04Å; V481-R484 VanDerWaalsContact O-N 3.12Å; V481-L485 HydrophobicContact CG1-CD1 4.4Å; V481-L485 HydrophobicContact CG1-CG 4.49Å; V481-L485 WeakPolarHBondContact O-CG 3.42Å; V481-L485 PolarHBondContact O-N 3.26Å; V481-I525 HydrophobicContact CG2-CD1 3.89Å; V481-V546 HydrophobicContact CG1-CG1 3.96Å; V481-V546 HydrophobicContact CG2-CG1 3.91Å; V481-I595 HydrophobicContact CG1-CG2 4.08Å; V481-L599 HydrophobicContact CB-CD1 4.49Å; V481-L599 HydrophobicContact CB-CD2 4.23Å; V481-L599 HydrophobicContact CG1-CD1 3.8Å; V481-L599 HydrophobicContact CG1-CD2 4.06Å; V481-L599 HydrophobicContact CG1-CG 4.43Å; V481-L599 HydrophobicContact CG2-CD2 4.36Å
482	N	91.2	Very high	91.4	Very high	83 Å²	83	50.7 Å²	50.7	44%	0.444	26%	0.256	S	S	.	.	H	α-helix	trans	-60.9	-42.8	174.7	-80.1	-34	0	0	0	112.1	L478 R484 L485 G486	L478-N482 WeakPolarHBondContact O-CB 3.48Å; L478-N482 PolarHBondContact O-N 2.9Å; L478-N482 PolarHBondContact O-ND2 3.27Å; N482-R484 VanDerWaalsContact C-N 3.29Å; N482-R484 PolarHBondContact O-N 2.96Å; N482-L485 PolarHBondContact O-N 3.49Å; N482-G486 PolarHBondContact O-N 3.25Å
483	K	93	Very high	91.2	Very high	136 Å²	136	53 Å²	53	59%	0.591	26%	0.261	S	S	*	.	H	α-helix	trans	-59.3	-41.3	173.8	-171.8	172.4	175.8	-176.6	0	111.6	T479 L480 V481 G486 L487 L521	T479-K483 WeakPolarHBondContact O-CB 3.45Å; T479-K483 PolarHBondContact O-N 3.42Å; L480-K483 PolarHBondContact O-N 3Å; V481-K483 VanDerWaalsContact C-N 3.34Å; V481-K483 PolarHBondContact O-N 3.38Å; K483-G486 PolarHBondContact O-N 3.4Å; K483-L487 PolarHBondContact O-N 3.37Å; K483-L487 VanDerWaalsContact O-N 3.17Å; K483-L521 HydrophobicContact CB-CD1 4.42Å; K483-L521 HydrophobicContact CD-CD2 4.06Å; K483-L521 HydrophobicContact CG-CD1 4.17Å; K483-L521 HydrophobicContact CG-CD2 4.46Å
484	R	91.6	Very high	91	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.008	26%	0.264	C	S	.	.	H	α-helix	trans	-65.9	-42.8	177.8	-168.7	171.9	61.8	173	0.7	112.7	L480 V481 N482 G486 L487 Y488 L521 D550	L480-R484 WeakPolarHBondContact O-CB 3.43Å; L480-R484 PolarHBondContact O-N 3.16Å; V481-R484 WeakPolarHBondContact O-CB 3.4Å; V481-R484 PolarHBondContact O-N 3.04Å; V481-R484 VanDerWaalsContact O-N 3.12Å; N482-R484 VanDerWaalsContact C-N 3.29Å; N482-R484 PolarHBondContact O-N 2.96Å; R484-G486 VanDerWaalsContact C-N 3.28Å; R484-G486 PolarHBondContact O-N 3.15Å; R484-L487 WeakPolarHBondContact O-CB 3.4Å; R484-L487 PolarHBondContact O-N 3.25Å; R484-Y488 HydrophobicContact CG-CE2 4.5Å; R484-L521 HydrophobicContact CB-CD1 3.86Å; R484-L521 HydrophobicContact CG-CD1 4.35Å; R484-D550 WeakPolarHBondContact CD-OD1 3.47Å; R484-D550 WeakPolarHBondContact CD-OD2 3.34Å; R484-D550 IonicContact CZ-OD1 3.77Å; R484-D550 IonicContact CZ-OD2 3.55Å; R484-D550 IonicContact NE-OD1 3.61Å; R484-D550 PolarHBondContact NE-OD1 3.16Å; R484-D550 IonicContact NE-OD2 2.7Å; R484-D550 PolarHBondContact NE-OD2 2.71Å; R484-D550 VanDerWaalsContact NE-OD2 3.11Å; R484-D550 IonicContact NH1-OD2 3.17Å; R484-D550 PolarHBondContact NH1-OD2 2.7Å; R484-D550 VanDerWaalsContact NH1-OD2 3.15Å; R484-D550 IonicContact NH2-OD1 3.88Å; R484-D550 IonicContact NH2-OD2 3.94Å
485	L	89.8	Confident	90.9	Very high	11 Å²	11	53.3 Å²	53.3	6%	0.058	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-36.4	173	-68.3	176.5	0	0	0	111.9	V481 N482 L487 Y488 V592 I595	V481-L485 HydrophobicContact CG1-CD1 4.4Å; V481-L485 HydrophobicContact CG1-CG 4.49Å; V481-L485 WeakPolarHBondContact O-CG 3.42Å; V481-L485 PolarHBondContact O-N 3.26Å; N482-L485 PolarHBondContact O-N 3.49Å; L485-L487 VanDerWaalsContact C-N 3.32Å; L485-L487 PolarHBondContact O-N 3.35Å; L485-Y488 HydrophobicContact CD2-CD2 4.21Å; L485-Y488 HydrophobicContact CD2-CE2 4.26Å; L485-Y488 PolarHBondContact O-N 3.33Å; L485-V592 HydrophobicContact CD2-CG1 4.49Å; L485-V592 HydrophobicContact CD2-CG2 4.16Å; L485-I595 HydrophobicContact CD1-CG2 4.31Å; L485-I595 HydrophobicContact CD2-CD1 4.43Å
486	G	90.4	Very high	90.7	Very high	32 Å²	32	50.9 Å²	50.9	33%	0.33	25%	0.254	S	S	.	.	H	α-helix	trans	-60.1	-36.7	172.8	0	0	0	0	0	113.7	N482 K483 R484 Y488 R489 H490	N482-G486 PolarHBondContact O-N 3.25Å; K483-G486 PolarHBondContact O-N 3.4Å; R484-G486 VanDerWaalsContact C-N 3.28Å; R484-G486 PolarHBondContact O-N 3.15Å; G486-Y488 VanDerWaalsContact C-N 3.28Å; G486-Y488 PolarHBondContact O-N 2.97Å; G486-R489 PolarHBondContact O-N 3.22Å; G486-H490 PolarHBondContact O-N 3.01Å
487	L	90.9	Very high	90.5	Very high	26 Å²	26	53.4 Å²	53.4	14%	0.136	26%	0.26	C	S	.	.	H	α-helix	trans	-60.2	-37.7	176.6	-64.3	176.4	0	0	0	112.4	K483 R484 L485 H490 M491 L514 D517 L521	K483-L487 PolarHBondContact O-N 3.37Å; K483-L487 VanDerWaalsContact O-N 3.17Å; R484-L487 WeakPolarHBondContact O-CB 3.4Å; R484-L487 PolarHBondContact O-N 3.25Å; L485-L487 VanDerWaalsContact C-N 3.32Å; L485-L487 PolarHBondContact O-N 3.35Å; L487-H490 PolarHBondContact O-N 3.43Å; L487-M491 PolarHBondContact O-N 2.87Å; L487-L514 HydrophobicContact CB-CD1 3.63Å; L487-L514 HydrophobicContact CD1-CD1 4.48Å; L487-D517 HydrophobicContact CD1-CB 3.67Å; L487-D517 HydrophobicContact CD2-CB 4.1Å; L487-L521 HydrophobicContact CD1-CD1 3.63Å; L487-L521 HydrophobicContact CG-CD1 4.43Å
488	Y	90.3	Very high	90.3	Very high	7 Å²	7	54 Å²	54	3%	0.027	26%	0.262	C	S	.	.	H	α-helix	trans	-68.1	-37.6	179.1	-56.3	-42.9	0	0	0	112.4	R484 L485 G486 M491 D492 L514 H518 D550 V553 K554 V557	R484-Y488 HydrophobicContact CG-CE2 4.5Å; L485-Y488 HydrophobicContact CD2-CD2 4.21Å; L485-Y488 HydrophobicContact CD2-CE2 4.26Å; L485-Y488 PolarHBondContact O-N 3.33Å; G486-Y488 VanDerWaalsContact C-N 3.28Å; G486-Y488 PolarHBondContact O-N 2.97Å; Y488-M491 PolarHBondContact O-N 3.25Å; Y488-D492 PolarHBondContact O-N 2.9Å; Y488-L514 HydrophobicContact CD1-CD1 4.16Å; Y488-L514 HydrophobicContact CE1-CD1 4.4Å; Y488-H518 PolarHBondContact OH-CD2 3.45Å; Y488-H518 PolarHBondContact OH-NE2 2.91Å; Y488-H518 VanDerWaalsContact OH-NE2 3.15Å; Y488-D550 WeakPolarHBondContact CE2-OD1 3.42Å; Y488-D550 PolarHBondContact OH-OD1 3Å; Y488-D550 PolarHBondContact OH-OD2 3.01Å; Y488-V553 HydrophobicContact CD2-CG1 3.46Å; Y488-V553 VanDerWaalsContact CD2-CG1 3.46Å; Y488-V553 HydrophobicContact CE2-CB 4.14Å; Y488-V553 HydrophobicContact CE2-CG1 3.41Å; Y488-V553 VanDerWaalsContact CE2-CG1 3.41Å; Y488-V553 HydrophobicContact CG-CG1 4.14Å; Y488-K554 HydrophobicContact CE1-CB 4.11Å; Y488-V557 HydrophobicContact CD1-CB 4.3Å; Y488-V557 HydrophobicContact CD1-CG1 4.28Å; Y488-V557 HydrophobicContact CD1-CG2 3.8Å; Y488-V557 HydrophobicContact CG-CG2 3.94Å
489	R	88.4	Confident	90	Very high	169 Å²	169	53.6 Å²	53.6	64%	0.638	26%	0.258	S	S	*	.	H	α-helix	trans	-64.7	-42.7	174.4	-62.3	180	-174.7	166.3	2.8	111	G486 M491 D492 E493	G486-R489 PolarHBondContact O-N 3.22Å; R489-M491 VanDerWaalsContact C-N 3.28Å; R489-M491 PolarHBondContact O-N 3.13Å; R489-D492 WeakPolarHBondContact O-CB 3.47Å; R489-D492 PolarHBondContact O-N 3.27Å; R489-E493 PolarHBondContact O-N 3.48Å
490	H	88.8	Confident	89.7	Confident	97 Å²	97	57.3 Å²	57.3	45%	0.449	27%	0.269	S	S	.	.	H	α-helix	trans	-61.7	-38.9	174.5	-171.7	60.3	0	0	0	111.9	G486 L487 D492 E493 V494	G486-H490 PolarHBondContact O-N 3.01Å; L487-H490 PolarHBondContact O-N 3.43Å; H490-D492 VanDerWaalsContact C-N 3.34Å; H490-D492 PolarHBondContact O-N 3.14Å; H490-E493 IonicContact ND1-OE2 3.68Å; H490-E493 WeakPolarHBondContact O-CB 3.33Å; H490-E493 PolarHBondContact O-N 2.89Å; H490-V494 WeakPolarHBondContact O-CG2 3.47Å; H490-V494 PolarHBondContact O-N 3.48Å
491	M	87.1	Confident	89.4	Confident	6 Å²	6	59.3 Å²	59.3	3%	0.03	29%	0.285	C	S	.	.	H	α-helix	trans	-63.2	-39.6	175.1	-172.3	59.7	-174.7	0	0	112.1	L487 Y488 R489 E493 V494 V495 L507 L514 V557 W561	L487-M491 PolarHBondContact O-N 2.87Å; Y488-M491 PolarHBondContact O-N 3.25Å; R489-M491 VanDerWaalsContact C-N 3.28Å; R489-M491 PolarHBondContact O-N 3.13Å; M491-E493 VanDerWaalsContact C-N 3.28Å; M491-E493 PolarHBondContact O-N 2.84Å; M491-V494 PolarHBondContact O-N 2.72Å; M491-V494 VanDerWaalsContact O-N 3.15Å; M491-V494 HydrophobicContact SD-CB 4.28Å; M491-V494 HydrophobicContact SD-CG1 4.38Å; M491-V495 HydrophobicContact CE-CG2 3.76Å; M491-V495 HydrophobicContact CG-CG2 4.3Å; M491-V495 VanDerWaalsContact O-CG2 3.29Å; M491-V495 WeakPolarHBondContact O-CG2 3.42Å; M491-V495 PolarHBondContact O-N 3.38Å; M491-V495 HydrophobicContact SD-CG2 4.46Å; M491-L507 HydrophobicContact CE-CD1 4.39Å; M491-L514 HydrophobicContact CB-CD2 4.03Å; M491-L514 HydrophobicContact CG-CD2 3.8Å; M491-L514 HydrophobicContact SD-CD2 4.23Å; M491-V557 HydrophobicContact CB-CG1 4.13Å; M491-V557 HydrophobicContact CG-CG1 3.85Å; M491-W561 HydrophobicContact CE-CB 4.03Å; M491-W561 HydrophobicContact CE-CD2 4.28Å; M491-W561 HydrophobicContact CE-CG 3.68Å
492	D	87.3	Confident	89.2	Confident	36 Å²	36	67.9 Å²	67.9	19%	0.193	32%	0.318	C	S	.	.	H	α-helix	trans	-59.2	-39.4	175.1	-72.1	-22	0	0	0	112.2	Y488 R489 H490 V495 N496 R588	Y488-D492 PolarHBondContact O-N 2.9Å; R489-D492 WeakPolarHBondContact O-CB 3.47Å; R489-D492 PolarHBondContact O-N 3.27Å; H490-D492 VanDerWaalsContact C-N 3.34Å; H490-D492 PolarHBondContact O-N 3.14Å; D492-V495 PolarHBondContact O-N 2.96Å; D492-N496 WeakPolarHBondContact O-CB 3.48Å; D492-N496 VanDerWaalsContact O-CG 3.24Å; D492-N496 PolarHBondContact O-N 3.34Å; D492-N496 PolarHBondContact O-ND2 3.05Å; D492-R588 IonicContact OD1-CZ 3.8Å; D492-R588 IonicContact OD1-NH1 3.79Å; D492-R588 PolarHBondContact OD1-NH1 3.39Å; D492-R588 IonicContact OD1-NH2 2.75Å; D492-R588 IonicContact OD2-CZ 2.74Å; D492-R588 IonicContact OD2-NH1 3.29Å; D492-R588 PolarHBondContact OD2-NH1 3.02Å; D492-R588 IonicContact OD2-NH2 3.62Å; D492-R588 PolarHBondContact OD2-NH2 3.08Å
493	E	88.4	Confident	89.1	Confident	104 Å²	104	67.6 Å²	67.6	49%	0.486	32%	0.316	S	S	.	.	H	α-helix	trans	-65.1	-41.2	174.6	-64.8	174.3	178.4	0	0	112.5	R489 H490 M491 V495 N496 R497	R489-E493 PolarHBondContact O-N 3.48Å; H490-E493 IonicContact ND1-OE2 3.68Å; H490-E493 WeakPolarHBondContact O-CB 3.33Å; H490-E493 PolarHBondContact O-N 2.89Å; M491-E493 VanDerWaalsContact C-N 3.28Å; M491-E493 PolarHBondContact O-N 2.84Å; E493-V495 VanDerWaalsContact C-N 3.35Å; E493-N496 PolarHBondContact O-N 3.44Å; E493-R497 WeakPolarHBondContact O-CB 3.49Å; E493-R497 WeakPolarHBondContact O-CG 3.49Å; E493-R497 PolarHBondContact O-N 3.38Å; E493-R497 IonicContact OE2-NH2 3.59Å
494	V	88.9	Confident	88.7	Confident	15 Å²	15	64.7 Å²	64.7	9%	0.091	31%	0.31	C	S	.	.	H	α-helix	trans	-63.4	-43.3	176.2	172.4	0	0	0	0	110.2	H490 M491 R497 Y498 L507	H490-V494 WeakPolarHBondContact O-CG2 3.47Å; H490-V494 PolarHBondContact O-N 3.48Å; M491-V494 PolarHBondContact O-N 2.72Å; M491-V494 VanDerWaalsContact O-N 3.15Å; M491-V494 HydrophobicContact SD-CB 4.28Å; M491-V494 HydrophobicContact SD-CG1 4.38Å; V494-R497 PolarHBondContact O-N 3.09Å; V494-Y498 WeakPolarHBondContact O-CB 3.46Å; V494-Y498 PolarHBondContact O-N 3.45Å; V494-L507 HydrophobicContact CG1-CD1 4.19Å
495	V	88.4	Confident	88.5	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.024	33%	0.331	C	S	.	.	H	α-helix	trans	-64.1	-43.1	176.1	172.5	0	0	0	0	111.1	M491 D492 E493 Y498 K499 L507 W561 A564	M491-V495 HydrophobicContact CE-CG2 3.76Å; M491-V495 HydrophobicContact CG-CG2 4.3Å; M491-V495 VanDerWaalsContact O-CG2 3.29Å; M491-V495 WeakPolarHBondContact O-CG2 3.42Å; M491-V495 PolarHBondContact O-N 3.38Å; M491-V495 HydrophobicContact SD-CG2 4.46Å; D492-V495 PolarHBondContact O-N 2.96Å; E493-V495 VanDerWaalsContact C-N 3.35Å; V495-Y498 WeakPolarHBondContact O-CB 3.48Å; V495-Y498 PolarHBondContact O-N 2.82Å; V495-K499 WeakPolarHBondContact O-CG 3.33Å; V495-K499 PolarHBondContact O-N 2.85Å; V495-L507 HydrophobicContact CG2-CD1 4.26Å; V495-W561 HydrophobicContact CG2-CB 4.11Å; V495-W561 HydrophobicContact CG2-CG 4.45Å; V495-A564 HydrophobicContact CG1-CB 3.53Å
496	N	88.6	Confident	88.3	Confident	77 Å²	77	68.2 Å²	68.2	41%	0.412	35%	0.346	S	S	.	.	H	α-helix	trans	-64.9	-40.9	177	-75.9	-30.1	0	0	0	112.7	D492 E493 Y498 K499	D492-N496 WeakPolarHBondContact O-CB 3.48Å; D492-N496 VanDerWaalsContact O-CG 3.24Å; D492-N496 PolarHBondContact O-N 3.34Å; D492-N496 PolarHBondContact O-ND2 3.05Å; E493-N496 PolarHBondContact O-N 3.44Å; N496-Y498 VanDerWaalsContact C-N 3.34Å; N496-K499 PolarHBondContact O-N 3.18Å; N496-K499 WeakPolarHBondContact OD1-CE 3.35Å; N496-K499 PolarHBondContact OD1-NZ 3.12Å
497	R	88.4	Confident	88.1	Confident	134 Å²	134	66.8 Å²	66.8	51%	0.506	33%	0.33	S	S	.	.	H	α-helix	trans	-61.2	-44	172.5	-81.2	-176.6	-89.7	170	-11.2	111.4	E493 V494 K499 Q500 S501	E493-R497 WeakPolarHBondContact O-CB 3.49Å; E493-R497 WeakPolarHBondContact O-CG 3.49Å; E493-R497 PolarHBondContact O-N 3.38Å; E493-R497 IonicContact OE2-NH2 3.59Å; V494-R497 PolarHBondContact O-N 3.09Å; R497-K499 VanDerWaalsContact C-N 3.34Å; R497-K499 PolarHBondContact O-N 3.47Å; R497-Q500 PolarHBondContact O-N 3.35Å; R497-S501 PolarHBondContact O-N 2.98Å; R497-S501 PolarHBondContact O-OG 3.46Å; R497-S501 VanDerWaalsContact O-OG 3.08Å
498	Y	90.3	Very high	88	Confident	14 Å²	14	68.8 Å²	68.8	6%	0.055	34%	0.341	C	S	.	.	H	α-helix	trans	-58.7	-41.4	176.9	170.1	-108.7	0	0	0	113.1	V494 V495 N496 Q500 R502 D503 T504 L507 E565 V568	V494-Y498 WeakPolarHBondContact O-CB 3.46Å; V494-Y498 PolarHBondContact O-N 3.45Å; V495-Y498 WeakPolarHBondContact O-CB 3.48Å; V495-Y498 PolarHBondContact O-N 2.82Å; N496-Y498 VanDerWaalsContact C-N 3.34Å; Y498-Q500 PolarHBondContact O-N 3.02Å; Y498-Q500 VanDerWaalsContact O-N 3.16Å; Y498-R502 WeakPolarHBondContact O-CA 3.48Å; Y498-R502 PolarHBondContact O-N 3.3Å; Y498-D503 WeakPolarHBondContact CD2-O 3.48Å; Y498-T504 HydrophobicContact CE2-CG2 3.79Å; Y498-L507 HydrophobicContact CD1-CD1 4.07Å; Y498-L507 HydrophobicContact CD1-CD2 3.58Å; Y498-L507 HydrophobicContact CD1-CG 4.35Å; Y498-L507 HydrophobicContact CD2-CB 3.89Å; Y498-L507 HydrophobicContact CD2-CD1 4.48Å; Y498-L507 HydrophobicContact CD2-CD2 3.79Å; Y498-L507 HydrophobicContact CD2-CG 4.27Å; Y498-L507 HydrophobicContact CE1-CD2 3.65Å; Y498-L507 HydrophobicContact CE2-CB 4.45Å; Y498-L507 HydrophobicContact CE2-CD2 3.85Å; Y498-L507 HydrophobicContact CG-CB 4.09Å; Y498-L507 HydrophobicContact CG-CD1 3.81Å; Y498-L507 HydrophobicContact CG-CD2 3.64Å; Y498-L507 HydrophobicContact CG-CG 4.05Å; Y498-E565 HydrophobicContact CE1-CG 4.18Å; Y498-V568 HydrophobicContact CD1-CG2 4.18Å; Y498-V568 HydrophobicContact CE1-CB 3.91Å; Y498-V568 HydrophobicContact CE1-CG1 4.37Å; Y498-V568 HydrophobicContact CE1-CG2 3.65Å
499	K	87.4	Confident	88	Confident	54 Å²	54	71.2 Å²	71.2	24%	0.235	36%	0.359	C	S	.	.	H	α-helix	trans	-57	-30.8	175.6	-65.3	172.5	-150.4	173.8	0	112.5	V495 N496 R497 Y577 E581	V495-K499 WeakPolarHBondContact O-CG 3.33Å; V495-K499 PolarHBondContact O-N 2.85Å; N496-K499 PolarHBondContact O-N 3.18Å; N496-K499 WeakPolarHBondContact OD1-CE 3.35Å; N496-K499 PolarHBondContact OD1-NZ 3.12Å; R497-K499 VanDerWaalsContact C-N 3.34Å; R497-K499 PolarHBondContact O-N 3.47Å; K499-Y577 WeakPolarHBondContact CE-OH 3.35Å; K499-Y577 PolarHBondContact NZ-OH 3.16Å; K499-Y577 VanDerWaalsContact NZ-OH 3.07Å; K499-E581 IonicContact NZ-OE1 3.84Å; K499-E581 PolarHBondContact NZ-OE1 3.02Å
500	Q	88	Confident	87.9	Confident	165 Å²	165	63.8 Å²	63.8	77%	0.771	34%	0.335	S	S	*	.	H	α-helix	trans	-90.2	-48.3	-178.4	-61.9	174.7	9.3	0	0	112.5	R497 Y498	R497-Q500 PolarHBondContact O-N 3.35Å; Y498-Q500 PolarHBondContact O-N 3.02Å; Y498-Q500 VanDerWaalsContact O-N 3.16Å
501	S	88.5	Confident	87.9	Confident	73 Å²	73	63.1 Å²	63.1	51%	0.51	33%	0.328	S	S	.	.	H	α-helix	trans	-86.7	-21.6	-172.6	67.8	0	0	0	0	114	R497 D503	R497-S501 PolarHBondContact O-N 2.98Å; R497-S501 PolarHBondContact O-OG 3.46Å; R497-S501 VanDerWaalsContact O-OG 3.08Å; S501-D503 PolarHBondContact O-N 3.02Å; S501-D503 WeakPolarHBondContact OG-CB 3.32Å; S501-D503 PolarHBondContact OG-N 2.86Å
502	R	87.1	Confident	88	Confident	180 Å²	180	70.1 Å²	70.1	68%	0.679	36%	0.359	S	S	*	.			trans	57.3	19.6	-170.6	-53.2	-175.3	174	-178.8	-2.8	114.4	Y498 T504 V568	Y498-R502 WeakPolarHBondContact O-CA 3.48Å; Y498-R502 PolarHBondContact O-N 3.3Å; R502-T504 PolarHBondContact O-N 2.94Å; R502-T504 VanDerWaalsContact O-N 3.11Å; R502-V568 HydrophobicContact CB-CG1 4.28Å; R502-V568 HydrophobicContact CG-CG1 3.88Å
503	D	89.4	Confident	88.1	Confident	78 Å²	78	72.9 Å²	72.9	42%	0.417	37%	0.373	S	S	.	.			trans	-76.4	96.4	179.2	-176.1	-7.4	0	0	0	111.3	Y498 S501 G505 A506 L507	Y498-D503 WeakPolarHBondContact CD2-O 3.48Å; S501-D503 PolarHBondContact O-N 3.02Å; S501-D503 WeakPolarHBondContact OG-CB 3.32Å; S501-D503 PolarHBondContact OG-N 2.86Å; D503-G505 VanDerWaalsContact C-N 3.26Å; D503-G505 PolarHBondContact O-N 3.08Å; D503-G505 WeakPolarHBondContact OD1-CA 3.41Å; D503-G505 PolarHBondContact OD1-N 3.42Å; D503-A506 HydrophobicContact CB-CB 4.18Å; D503-A506 PolarHBondContact OD1-N 2.92Å; D503-A506 VanDerWaalsContact OD2-CB 3.32Å; D503-A506 WeakPolarHBondContact OD2-CB 3.44Å; D503-L507 PolarHBondContact O-N 3.13Å
504	T	85.9	Confident	88.1	Confident	75 Å²	75	68.5 Å²	68.5	46%	0.46	35%	0.352	S	S	.	.	H	α-helix	trans	-69.6	-22.6	177.1	53.8	0	0	0	0	112.9	Y498 R502 N508	Y498-T504 HydrophobicContact CE2-CG2 3.79Å; R502-T504 PolarHBondContact O-N 2.94Å; R502-T504 VanDerWaalsContact O-N 3.11Å; T504-N508 WeakPolarHBondContact O-CB 3.46Å; T504-N508 PolarHBondContact O-N 3.01Å; T504-N508 VanDerWaalsContact O-N 3.1Å; T504-N508 PolarHBondContact O-ND2 2.9Å
505	G	87.1	Confident	88.2	Confident	44 Å²	44	71.1 Å²	71.1	45%	0.454	36%	0.364	S	S	.	.	H	α-helix	trans	-69	-49.9	177	0	0	0	0	0	111.3	D503 L507 N508 S509	D503-G505 VanDerWaalsContact C-N 3.26Å; D503-G505 PolarHBondContact O-N 3.08Å; D503-G505 WeakPolarHBondContact OD1-CA 3.41Å; D503-G505 PolarHBondContact OD1-N 3.42Å; G505-L507 VanDerWaalsContact C-N 3.31Å; G505-L507 PolarHBondContact O-N 3.37Å; G505-N508 PolarHBondContact O-N 2.95Å; G505-S509 PolarHBondContact O-N 3.12Å; G505-S509 PolarHBondContact O-OG 3.41Å
506	A	85.3	Confident	88.4	Confident	43 Å²	43	73.4 Å²	73.4	36%	0.355	38%	0.383	S	S	.	.	H	α-helix	trans	-63.6	-34.8	176.3	0	0	0	0	0	113.1	D503 S509 G510	D503-A506 HydrophobicContact CB-CB 4.18Å; D503-A506 PolarHBondContact OD1-N 2.92Å; D503-A506 VanDerWaalsContact OD2-CB 3.32Å; D503-A506 WeakPolarHBondContact OD2-CB 3.44Å; A506-S509 WeakPolarHBondContact CA-OG 3.44Å; A506-S509 PolarHBondContact O-OG 3.4Å; A506-G510 PolarHBondContact O-N 2.97Å
507	L	86.4	Confident	88.6	Confident	1 Å²	1	73.1 Å²	73.1	1%	0.005	38%	0.381	C	S	.	.	H	α-helix	trans	-68.1	-46.1	176.6	-171.9	73.4	0	0	0	111.9	M491 V494 V495 Y498 D503 G505 G510 R511 E565	M491-L507 HydrophobicContact CE-CD1 4.39Å; V494-L507 HydrophobicContact CG1-CD1 4.19Å; V495-L507 HydrophobicContact CG2-CD1 4.26Å; Y498-L507 HydrophobicContact CD1-CD1 4.07Å; Y498-L507 HydrophobicContact CD1-CD2 3.58Å; Y498-L507 HydrophobicContact CD1-CG 4.35Å; Y498-L507 HydrophobicContact CD2-CB 3.89Å; Y498-L507 HydrophobicContact CD2-CD1 4.48Å; Y498-L507 HydrophobicContact CD2-CD2 3.79Å; Y498-L507 HydrophobicContact CD2-CG 4.27Å; Y498-L507 HydrophobicContact CE1-CD2 3.65Å; Y498-L507 HydrophobicContact CE2-CB 4.45Å; Y498-L507 HydrophobicContact CE2-CD2 3.85Å; Y498-L507 HydrophobicContact CG-CB 4.09Å; Y498-L507 HydrophobicContact CG-CD1 3.81Å; Y498-L507 HydrophobicContact CG-CD2 3.64Å; Y498-L507 HydrophobicContact CG-CG 4.05Å; D503-L507 PolarHBondContact O-N 3.13Å; G505-L507 VanDerWaalsContact C-N 3.31Å; G505-L507 PolarHBondContact O-N 3.37Å; L507-G510 PolarHBondContact O-N 3.35Å; L507-R511 PolarHBondContact O-N 2.95Å; L507-E565 HydrophobicContact CD2-CG 3.64Å
508	N	88.7	Confident	88.8	Confident	69 Å²	69	67.3 Å²	67.3	37%	0.369	36%	0.36	S	S	.	.	H	α-helix	trans	-68.1	-34.8	179.2	-79.2	-48.3	0	0	0	112.6	T504 G505 K512	T504-N508 WeakPolarHBondContact O-CB 3.46Å; T504-N508 PolarHBondContact O-N 3.01Å; T504-N508 VanDerWaalsContact O-N 3.1Å; T504-N508 PolarHBondContact O-ND2 2.9Å; G505-N508 PolarHBondContact O-N 2.95Å; N508-K512 WeakPolarHBondContact O-CG 3.37Å; N508-K512 PolarHBondContact O-N 3.06Å; N508-K512 VanDerWaalsContact O-N 3.11Å
509	S	89.2	Confident	89	Confident	58 Å²	58	75.1 Å²	75.1	41%	0.406	39%	0.389	S	S	.	.	H	α-helix	trans	-67.8	-46.4	173.8	64.5	0	0	0	0	111.3	G505 A506 R511 K512 I513	G505-S509 PolarHBondContact O-N 3.12Å; G505-S509 PolarHBondContact O-OG 3.41Å; A506-S509 WeakPolarHBondContact CA-OG 3.44Å; A506-S509 PolarHBondContact O-OG 3.4Å; S509-R511 VanDerWaalsContact C-N 3.27Å; S509-R511 PolarHBondContact O-N 3.45Å; S509-K512 PolarHBondContact O-N 3.33Å; S509-K512 VanDerWaalsContact O-N 3.14Å; S509-I513 WeakPolarHBondContact O-CG1 3.48Å; S509-I513 PolarHBondContact O-N 3.04Å
510	G	87.9	Confident	89.4	Confident	12 Å²	12	76.1 Å²	76.1	12%	0.124	40%	0.4	C	S	.	.	H	α-helix	trans	-57.5	-39.4	175	0	0	0	0	0	112.8	A506 L507 I513 L514	A506-G510 PolarHBondContact O-N 2.97Å; L507-G510 PolarHBondContact O-N 3.35Å; G510-I513 PolarHBondContact O-N 2.93Å; G510-L514 WeakPolarHBondContact O-CB 3.38Å; G510-L514 PolarHBondContact O-N 2.93Å
511	R	87.3	Confident	89.7	Confident	83 Å²	83	68.6 Å²	68.6	31%	0.313	37%	0.365	S	S	.	.	H	α-helix	trans	-61.4	-49.6	172.9	178.2	-176	176.3	-170.5	-0.2	112.8	L507 S509 I513 L514 E515 W561	L507-R511 PolarHBondContact O-N 2.95Å; S509-R511 VanDerWaalsContact C-N 3.27Å; S509-R511 PolarHBondContact O-N 3.45Å; R511-I513 PolarHBondContact O-N 3.29Å; R511-L514 PolarHBondContact O-N 3.23Å; R511-E515 HydrophobicContact CG-CG 4.42Å; R511-E515 IonicContact CZ-OE1 3.3Å; R511-E515 VanDerWaalsContact CZ-OE1 3.3Å; R511-E515 IonicContact NE-OE1 2.79Å; R511-E515 PolarHBondContact NE-OE1 2.66Å; R511-E515 IonicContact NH2-OE1 2.93Å; R511-E515 PolarHBondContact NH2-OE1 3.11Å; R511-E515 PolarHBondContact O-N 2.86Å; R511-W561 VanDerWaalsContact CD-CZ3 3.44Å; R511-W561 HydrophobicContact CG-CZ3 4.45Å; R511-W561 VanDerWaalsContact CZ-CH2 3.43Å; R511-W561 VanDerWaalsContact NE-CZ3 3.34Å
512	K	89.8	Confident	90	Very high	154 Å²	154	66.7 Å²	66.7	67%	0.67	35%	0.35	S	S	*	.	H	α-helix	trans	-59.8	-39.3	-179.9	-76.7	179.7	178.7	-178.4	0	111.2	N508 S509 A516	N508-K512 WeakPolarHBondContact O-CG 3.37Å; N508-K512 PolarHBondContact O-N 3.06Å; N508-K512 VanDerWaalsContact O-N 3.11Å; S509-K512 PolarHBondContact O-N 3.33Å; S509-K512 VanDerWaalsContact O-N 3.14Å; K512-A516 VanDerWaalsContact O-CB 3.29Å; K512-A516 WeakPolarHBondContact O-CB 3.48Å; K512-A516 PolarHBondContact O-N 3.39Å
513	I	88.9	Confident	90.3	Very high	94 Å²	94	62.5 Å²	62.5	48%	0.482	34%	0.341	S	S	.	.	H	α-helix	trans	-64	-50.5	176	-66.4	165	0	0	0	110.2	S509 G510 R511 E515 A516 D517	S509-I513 WeakPolarHBondContact O-CG1 3.48Å; S509-I513 PolarHBondContact O-N 3.04Å; G510-I513 PolarHBondContact O-N 2.93Å; R511-I513 PolarHBondContact O-N 3.29Å; I513-E515 VanDerWaalsContact C-N 3.34Å; I513-E515 PolarHBondContact O-N 3.46Å; I513-A516 PolarHBondContact O-N 3.48Å; I513-D517 WeakPolarHBondContact O-CB 3.42Å; I513-D517 PolarHBondContact O-N 3.01Å
514	L	89.8	Confident	90.6	Very high	12 Å²	12	62 Å²	62	6%	0.063	34%	0.338	C	S	.	.	H	α-helix	trans	-56.2	-46.5	176.9	178	69.8	0	0	0	112.1	L487 Y488 M491 G510 R511 H518 V557	L487-L514 HydrophobicContact CB-CD1 3.63Å; L487-L514 HydrophobicContact CD1-CD1 4.48Å; Y488-L514 HydrophobicContact CD1-CD1 4.16Å; Y488-L514 HydrophobicContact CE1-CD1 4.4Å; M491-L514 HydrophobicContact CB-CD2 4.03Å; M491-L514 HydrophobicContact CG-CD2 3.8Å; M491-L514 HydrophobicContact SD-CD2 4.23Å; G510-L514 WeakPolarHBondContact O-CB 3.38Å; G510-L514 PolarHBondContact O-N 2.93Å; R511-L514 PolarHBondContact O-N 3.23Å; L514-H518 WeakPolarHBondContact O-CB 3.34Å; L514-H518 PolarHBondContact O-N 2.98Å; L514-V557 HydrophobicContact CD2-CG1 4.1Å
515	E	90.1	Very high	91	Very high	70 Å²	70	58.4 Å²	58.4	33%	0.327	32%	0.316	S	S	.	.	H	α-helix	trans	-65.1	-40.6	-179.7	-74.9	178.7	-179.9	0	0	112	R511 I513 R519	R511-E515 HydrophobicContact CG-CG 4.42Å; R511-E515 IonicContact CZ-OE1 3.3Å; R511-E515 VanDerWaalsContact CZ-OE1 3.3Å; R511-E515 IonicContact NE-OE1 2.79Å; R511-E515 PolarHBondContact NE-OE1 2.66Å; R511-E515 IonicContact NH2-OE1 2.93Å; R511-E515 PolarHBondContact NH2-OE1 3.11Å; R511-E515 PolarHBondContact O-N 2.86Å; I513-E515 VanDerWaalsContact C-N 3.34Å; I513-E515 PolarHBondContact O-N 3.46Å; E515-R519 VanDerWaalsContact O-CB 3.29Å; E515-R519 WeakPolarHBondContact O-CB 3.34Å; E515-R519 PolarHBondContact O-N 2.67Å; E515-R519 VanDerWaalsContact O-N 3.1Å
516	A	92.8	Very high	91.4	Very high	51 Å²	51	58.5 Å²	58.5	42%	0.421	31%	0.31	S	S	.	.	H	α-helix	trans	-67.7	-49.9	177.7	0	0	0	0	0	112	K512 I513 R519 T520	K512-A516 VanDerWaalsContact O-CB 3.29Å; K512-A516 WeakPolarHBondContact O-CB 3.48Å; K512-A516 PolarHBondContact O-N 3.39Å; I513-A516 PolarHBondContact O-N 3.48Å; A516-R519 PolarHBondContact O-N 2.89Å; A516-T520 PolarHBondContact O-N 3.4Å; A516-T520 PolarHBondContact O-OG1 2.78Å
517	D	92.4	Very high	91.8	Very high	71 Å²	71	59.3 Å²	59.3	38%	0.38	31%	0.313	S	S	.	.	H	α-helix	trans	-67.3	-41.4	-179	-72.5	-11.5	0	0	0	111.3	L487 I513 R519 T520 L521	L487-D517 HydrophobicContact CD1-CB 3.67Å; L487-D517 HydrophobicContact CD2-CB 4.1Å; I513-D517 WeakPolarHBondContact O-CB 3.42Å; I513-D517 PolarHBondContact O-N 3.01Å; D517-R519 VanDerWaalsContact C-N 3.31Å; D517-R519 PolarHBondContact O-N 3.42Å; D517-T520 PolarHBondContact O-N 2.94Å; D517-L521 WeakPolarHBondContact O-CB 3.3Å; D517-L521 VanDerWaalsContact O-CG 3.3Å; D517-L521 WeakPolarHBondContact O-CG 3.46Å; D517-L521 PolarHBondContact O-N 2.9Å
518	H	93.6	Very high	92.1	Very high	13 Å²	13	59.6 Å²	59.6	6%	0.06	32%	0.315	C	S	.	.	H	α-helix	trans	-60.3	-42	174.6	-179.7	-89.6	0	0	0	111.7	Y488 L514 T522 D550 K554	Y488-H518 PolarHBondContact OH-CD2 3.45Å; Y488-H518 PolarHBondContact OH-NE2 2.91Å; Y488-H518 VanDerWaalsContact OH-NE2 3.15Å; L514-H518 WeakPolarHBondContact O-CB 3.34Å; L514-H518 PolarHBondContact O-N 2.98Å; H518-T522 PolarHBondContact CE1-OG1 3.08Å; H518-T522 VanDerWaalsContact CE1-OG1 3.25Å; H518-T522 VanDerWaalsContact O-CB 3.27Å; H518-T522 WeakPolarHBondContact O-CB 3.46Å; H518-T522 PolarHBondContact O-N 2.95Å; H518-T522 PolarHBondContact O-OG1 3.06Å; H518-D550 IonicContact CD2-OD2 2.71Å; H518-D550 IonicContact CE1-OD2 3Å; H518-D550 IonicContact NE2-OD2 3.59Å; H518-D550 PolarHBondContact NE2-OD2 3.18Å; H518-K554 WeakPolarHBondContact CE1-CD 3.5Å; H518-K554 VanDerWaalsContact ND1-CD 3.3Å; H518-K554 WeakPolarHBondContact ND1-CD 3.44Å; H518-K554 PolarHBondContact ND1-NZ 3.15Å
519	R	94	Very high	92.4	Very high	178 Å²	178	57.7 Å²	57.7	67%	0.672	30%	0.304	S	S	*	.	H	α-helix	trans	-63.8	-45.1	177	-176.1	179.9	-178.5	-172.9	-1.2	111.4	E515 A516 D517 T522 N523	E515-R519 VanDerWaalsContact O-CB 3.29Å; E515-R519 WeakPolarHBondContact O-CB 3.34Å; E515-R519 PolarHBondContact O-N 2.67Å; E515-R519 VanDerWaalsContact O-N 3.1Å; A516-R519 PolarHBondContact O-N 2.89Å; D517-R519 VanDerWaalsContact C-N 3.31Å; D517-R519 PolarHBondContact O-N 3.42Å; R519-T522 PolarHBondContact O-N 3.37Å; R519-N523 VanDerWaalsContact O-CG 3.26Å; R519-N523 PolarHBondContact O-N 2.99Å; R519-N523 PolarHBondContact O-ND2 3.34Å
520	T	94.8	Very high	92.5	Very high	74 Å²	74	57.8 Å²	57.8	45%	0.454	31%	0.308	S	S	.	.	H	α-helix	trans	-60.4	-52.2	177.6	-56.5	0	0	0	0	110.8	A516 D517 T522 N523 D524	A516-T520 PolarHBondContact O-N 3.4Å; A516-T520 PolarHBondContact O-OG1 2.78Å; D517-T520 PolarHBondContact O-N 2.94Å; T520-T522 VanDerWaalsContact C-N 3.29Å; T520-T522 PolarHBondContact O-N 3.27Å; T520-N523 WeakPolarHBondContact O-CB 3.41Å; T520-N523 PolarHBondContact O-N 3.17Å; T520-N523 VanDerWaalsContact O-N 3.12Å; T520-D524 PolarHBondContact O-N 3.37Å
521	L	94.5	Very high	92.7	Very high	7 Å²	7	63.4 Å²	63.4	4%	0.037	33%	0.325	C	S	.	.	H	α-helix	trans	-61.4	-36.8	178.5	-66.8	175.1	0	0	0	112.4	L480 K483 R484 L487 D517 D524 I525	L480-L521 HydrophobicContact CD2-CD2 3.77Å; K483-L521 HydrophobicContact CB-CD1 4.42Å; K483-L521 HydrophobicContact CD-CD2 4.06Å; K483-L521 HydrophobicContact CG-CD1 4.17Å; K483-L521 HydrophobicContact CG-CD2 4.46Å; R484-L521 HydrophobicContact CB-CD1 3.86Å; R484-L521 HydrophobicContact CG-CD1 4.35Å; L487-L521 HydrophobicContact CD1-CD1 3.63Å; L487-L521 HydrophobicContact CG-CD1 4.43Å; D517-L521 WeakPolarHBondContact O-CB 3.3Å; D517-L521 VanDerWaalsContact O-CG 3.3Å; D517-L521 WeakPolarHBondContact O-CG 3.46Å; D517-L521 PolarHBondContact O-N 2.9Å; L521-D524 PolarHBondContact O-N 3.15Å; L521-I525 WeakPolarHBondContact O-CB 3.16Å; L521-I525 WeakPolarHBondContact O-CD1 3.3Å; L521-I525 WeakPolarHBondContact O-CG1 3.41Å; L521-I525 PolarHBondContact O-N 2.99Å
522	T	94.3	Very high	92.9	Very high	33 Å²	33	59.4 Å²	59.4	20%	0.202	31%	0.31	C	S	.	.	H	α-helix	trans	-65.2	-41.1	176.6	-60.4	0	0	0	0	111.5	H518 R519 T520 S526	H518-T522 PolarHBondContact CE1-OG1 3.08Å; H518-T522 VanDerWaalsContact CE1-OG1 3.25Å; H518-T522 VanDerWaalsContact O-CB 3.27Å; H518-T522 WeakPolarHBondContact O-CB 3.46Å; H518-T522 PolarHBondContact O-N 2.95Å; H518-T522 PolarHBondContact O-OG1 3.06Å; R519-T522 PolarHBondContact O-N 3.37Å; T520-T522 VanDerWaalsContact C-N 3.29Å; T520-T522 PolarHBondContact O-N 3.27Å; T522-S526 VanDerWaalsContact O-CB 3.3Å; T522-S526 WeakPolarHBondContact O-CB 3.47Å; T522-S526 PolarHBondContact O-N 3.11Å; T522-S526 PolarHBondContact O-OG 2.91Å
523	N	95	Very high	93	Very high	92 Å²	92	57.6 Å²	57.6	49%	0.492	30%	0.303	S	S	.	.	H	α-helix	trans	-65.8	-43.1	175.5	-68.2	-20.6	0	0	0	111.4	R519 T520 S526 S527	R519-N523 VanDerWaalsContact O-CG 3.26Å; R519-N523 PolarHBondContact O-N 2.99Å; R519-N523 PolarHBondContact O-ND2 3.34Å; T520-N523 WeakPolarHBondContact O-CB 3.41Å; T520-N523 PolarHBondContact O-N 3.17Å; T520-N523 VanDerWaalsContact O-N 3.12Å; N523-S526 WeakPolarHBondContact O-CB 3.43Å; N523-S526 PolarHBondContact O-N 3.5Å; N523-S527 PolarHBondContact O-N 3.43Å
524	D	94.9	Very high	93	Very high	67 Å²	67	57.2 Å²	57.2	36%	0.358	31%	0.313	S	S	.	.	H	α-helix	trans	-63.2	-47.1	178.5	-66.1	-18.2	0	0	0	110.9	L480 T520 L521 S526 S527 L528	L480-D524 HydrophobicContact CD1-CB 3.74Å; T520-D524 PolarHBondContact O-N 3.37Å; L521-D524 PolarHBondContact O-N 3.15Å; D524-S526 VanDerWaalsContact C-N 3.32Å; D524-S526 PolarHBondContact O-N 2.75Å; D524-S527 WeakPolarHBondContact O-CB 3.18Å; D524-S527 PolarHBondContact O-N 3.18Å; D524-S527 VanDerWaalsContact O-N 3.15Å; D524-S527 PolarHBondContact O-OG 3.45Å; D524-L528 WeakPolarHBondContact O-CG 3.4Å; D524-L528 PolarHBondContact O-N 3.28Å
525	I	94.6	Very high	92.9	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-63.9	-37.7	176	-63.1	163.6	0	0	0	110.8	V477 L480 V481 L521 S527 L528 Q529 V543 Q547	V477-I525 HydrophobicContact CG1-CG2 4.32Å; L480-I525 HydrophobicContact CB-CD1 3.99Å; L480-I525 HydrophobicContact CB-CG1 3.67Å; L480-I525 HydrophobicContact CD1-CG1 3.97Å; V481-I525 HydrophobicContact CG2-CD1 3.89Å; L521-I525 WeakPolarHBondContact O-CB 3.16Å; L521-I525 WeakPolarHBondContact O-CD1 3.3Å; L521-I525 WeakPolarHBondContact O-CG1 3.41Å; L521-I525 PolarHBondContact O-N 2.99Å; I525-S527 VanDerWaalsContact C-N 3.31Å; I525-S527 PolarHBondContact O-N 3.17Å; I525-L528 PolarHBondContact O-N 3.34Å; I525-Q529 WeakPolarHBondContact O-CB 3.36Å; I525-Q529 PolarHBondContact O-N 3.37Å; I525-V543 HydrophobicContact CG2-CG1 3.7Å; I525-Q547 HydrophobicContact CG2-CG 3.91Å
526	S	94.3	Very high	92.5	Very high	46 Å²	46	59.7 Å²	59.7	32%	0.322	34%	0.342	S	S	.	.	H	α-helix	trans	-62.5	-38.5	174.3	-64.8	0	0	0	0	112.1	T522 N523 D524 Q529 A530 Q547	T522-S526 VanDerWaalsContact O-CB 3.3Å; T522-S526 WeakPolarHBondContact O-CB 3.47Å; T522-S526 PolarHBondContact O-N 3.11Å; T522-S526 PolarHBondContact O-OG 2.91Å; N523-S526 WeakPolarHBondContact O-CB 3.43Å; N523-S526 PolarHBondContact O-N 3.5Å; D524-S526 VanDerWaalsContact C-N 3.32Å; D524-S526 PolarHBondContact O-N 2.75Å; S526-Q529 PolarHBondContact O-N 2.72Å; S526-A530 PolarHBondContact O-N 3.45Å; S526-Q547 PolarHBondContact OG-OE1 2.93Å
527	S	94.7	Very high	92.2	Very high	60 Å²	60	58.2 Å²	58.2	42%	0.42	33%	0.328	S	S	.	.	H	α-helix	trans	-66.3	-41.7	175.9	82.8	0	0	0	0	111.9	N523 D524 I525 A530 R531	N523-S527 PolarHBondContact O-N 3.43Å; D524-S527 WeakPolarHBondContact O-CB 3.18Å; D524-S527 PolarHBondContact O-N 3.18Å; D524-S527 VanDerWaalsContact O-N 3.15Å; D524-S527 PolarHBondContact O-OG 3.45Å; I525-S527 VanDerWaalsContact C-N 3.31Å; I525-S527 PolarHBondContact O-N 3.17Å; S527-A530 PolarHBondContact O-N 2.96Å; S527-R531 WeakPolarHBondContact O-CG 3.21Å; S527-R531 PolarHBondContact O-N 3.35Å; S527-R531 VanDerWaalsContact O-N 3.09Å
528	L	93.4	Very high	91.8	Very high	8 Å²	8	60.5 Å²	60.5	4%	0.042	34%	0.341	C	S	.	.	H	α-helix	trans	-67.8	-38.8	175.8	-65.6	178.9	0	0	0	111.5	I473 Q476 V477 L480 D524 I525 A530 R531 L532	I473-L528 HydrophobicContact CG2-CB 4.01Å; I473-L528 HydrophobicContact CG2-CD2 4.19Å; Q476-L528 HydrophobicContact CB-CD1 3.7Å; V477-L528 HydrophobicContact CG2-CB 3.61Å; V477-L528 HydrophobicContact CG2-CD1 3.71Å; V477-L528 HydrophobicContact CG2-CG 4.33Å; L480-L528 HydrophobicContact CD1-CD1 3.68Å; D524-L528 WeakPolarHBondContact O-CG 3.4Å; D524-L528 PolarHBondContact O-N 3.28Å; I525-L528 PolarHBondContact O-N 3.34Å; L528-A530 VanDerWaalsContact C-N 3.34Å; L528-A530 PolarHBondContact O-N 3.08Å; L528-R531 WeakPolarHBondContact O-CB 3.21Å; L528-R531 PolarHBondContact O-N 3.06Å; L528-L532 PolarHBondContact O-N 3.49Å
529	Q	93.5	Very high	91.6	Very high	28 Å²	28	61 Å²	61	13%	0.131	34%	0.343	C	S	.	.	H	α-helix	trans	-60.5	-43.4	173.5	-171	-170.6	3.1	0	0	111.4	I525 S526 R531 L532 K533 A540 V543	I525-Q529 WeakPolarHBondContact O-CB 3.36Å; I525-Q529 PolarHBondContact O-N 3.37Å; S526-Q529 PolarHBondContact O-N 2.72Å; Q529-R531 VanDerWaalsContact C-N 3.29Å; Q529-R531 PolarHBondContact O-N 3.28Å; Q529-L532 PolarHBondContact O-N 3.42Å; Q529-K533 WeakPolarHBondContact O-CG 3.49Å; Q529-K533 PolarHBondContact O-N 2.93Å; Q529-A540 HydrophobicContact CG-CB 4.3Å; Q529-A540 WeakPolarHBondContact CG-O 3.31Å; Q529-A540 PolarHBondContact NE2-O 2.93Å; Q529-V543 HydrophobicContact CB-CG1 3.93Å; Q529-V543 HydrophobicContact CG-CB 4.23Å; Q529-V543 HydrophobicContact CG-CG1 4.07Å
530	A	92.9	Very high	91.4	Very high	60 Å²	60	52.5 Å²	52.5	50%	0.496	31%	0.312	S	S	.	.	H	α-helix	trans	-62.5	-37.8	175.9	0	0	0	0	0	111.9	S526 S527 L528 K533 A534	S526-A530 PolarHBondContact O-N 3.45Å; S527-A530 PolarHBondContact O-N 2.96Å; L528-A530 VanDerWaalsContact C-N 3.34Å; L528-A530 PolarHBondContact O-N 3.08Å; A530-K533 PolarHBondContact O-N 3.24Å; A530-A534 PolarHBondContact O-N 3.3Å
531	R	91.8	Very high	91.1	Very high	130 Å²	130	54.2 Å²	54.2	49%	0.491	32%	0.318	S	S	.	.	H	α-helix	trans	-65.6	-41.7	173.7	-69.7	174.3	63.6	-170.7	-1.9	112.3	I473 S527 L528 Q529 K533 A534 E535	I473-R531 HydrophobicContact CD1-CB 4.05Å; S527-R531 WeakPolarHBondContact O-CG 3.21Å; S527-R531 PolarHBondContact O-N 3.35Å; S527-R531 VanDerWaalsContact O-N 3.09Å; L528-R531 WeakPolarHBondContact O-CB 3.21Å; L528-R531 PolarHBondContact O-N 3.06Å; Q529-R531 VanDerWaalsContact C-N 3.29Å; Q529-R531 PolarHBondContact O-N 3.28Å; R531-K533 VanDerWaalsContact C-N 3.3Å; R531-K533 PolarHBondContact O-N 3.28Å; R531-A534 WeakPolarHBondContact O-CB 3.34Å; R531-A534 PolarHBondContact O-N 3.16Å; R531-A534 VanDerWaalsContact O-N 3.16Å; R531-E535 WeakPolarHBondContact O-CG 3.5Å; R531-E535 PolarHBondContact O-N 3.29Å; R531-E535 VanDerWaalsContact O-N 3.08Å
532	L	91.4	Very high	90.9	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-59.6	-39.6	173.3	-72.4	173	0	0	0	112.1	V470 I473 L528 Q529 E535 G536 S537 A540 V543	V470-L532 HydrophobicContact CB-CD2 4.48Å; V470-L532 HydrophobicContact CG1-CD2 4.03Å; I473-L532 HydrophobicContact CB-CD2 3.85Å; I473-L532 HydrophobicContact CB-CG 4.33Å; I473-L532 HydrophobicContact CD1-CD2 4.45Å; I473-L532 HydrophobicContact CG2-CD1 4.18Å; I473-L532 HydrophobicContact CG2-CD2 3.65Å; I473-L532 HydrophobicContact CG2-CG 3.56Å; L528-L532 PolarHBondContact O-N 3.49Å; Q529-L532 PolarHBondContact O-N 3.42Å; L532-E535 PolarHBondContact O-N 2.87Å; L532-G536 PolarHBondContact O-N 3.41Å; L532-S537 PolarHBondContact O-N 3.12Å; L532-A540 HydrophobicContact CB-CB 3.75Å; L532-V543 HydrophobicContact CD1-CG2 3.89Å
533	K	90.6	Very high	90.8	Very high	116 Å²	116	55.1 Å²	55.1	50%	0.504	32%	0.319	S	S	.	.	H	α-helix	trans	-64.8	-40.5	174.3	-67.8	-172.5	177.4	-176.4	0	112.2	Q529 A530 R531 E535 G536 A540	Q529-K533 WeakPolarHBondContact O-CG 3.49Å; Q529-K533 PolarHBondContact O-N 2.93Å; A530-K533 PolarHBondContact O-N 3.24Å; R531-K533 VanDerWaalsContact C-N 3.3Å; R531-K533 PolarHBondContact O-N 3.28Å; K533-E535 VanDerWaalsContact C-N 3.27Å; K533-E535 PolarHBondContact O-N 3.01Å; K533-G536 PolarHBondContact O-N 3.01Å; K533-A540 HydrophobicContact CB-CB 4.39Å; K533-A540 HydrophobicContact CD-CB 4.34Å; K533-A540 HydrophobicContact CG-CB 3.35Å
534	A	89.8	Confident	90.7	Very high	86 Å²	86	51.8 Å²	51.8	71%	0.711	31%	0.306	S	S	*	.	H	α-helix	trans	-64.1	-32.8	178.3	0	0	0	0	0	112.4	A530 R531 G536	A530-A534 PolarHBondContact O-N 3.3Å; R531-A534 WeakPolarHBondContact O-CB 3.34Å; R531-A534 PolarHBondContact O-N 3.16Å; R531-A534 VanDerWaalsContact O-N 3.16Å; A534-G536 VanDerWaalsContact C-N 3.26Å; A534-G536 PolarHBondContact O-N 3.46Å
535	E	86.7	Confident	90.5	Very high	69 Å²	69	53.4 Å²	53.4	32%	0.322	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	1.4	173.8	-60.9	-66.6	160.6	0	0	113.2	V466 V470 I473 R531 L532 K533	V466-E535 HydrophobicContact CG1-CB 4.44Å; V470-E535 HydrophobicContact CG2-CB 4.05Å; I473-E535 HydrophobicContact CD1-CG 4.47Å; R531-E535 WeakPolarHBondContact O-CG 3.5Å; R531-E535 PolarHBondContact O-N 3.29Å; R531-E535 VanDerWaalsContact O-N 3.08Å; L532-E535 PolarHBondContact O-N 2.87Å; K533-E535 VanDerWaalsContact C-N 3.27Å; K533-E535 PolarHBondContact O-N 3.01Å
536	G	82.6	Confident	90.5	Very high	65 Å²	65	53.4 Å²	53.4	67%	0.67	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	19.4	177.5	0	0	0	0	0	115.3	L532 K533 A534	L532-G536 PolarHBondContact O-N 3.41Å; K533-G536 PolarHBondContact O-N 3.01Å; A534-G536 VanDerWaalsContact C-N 3.26Å; A534-G536 PolarHBondContact O-N 3.46Å
537	S	85.5	Confident	90.4	Very high	19 Å²	19	52.7 Å²	52.7	13%	0.133	30%	0.304	C	S	.	.			trans	-83.8	132.7	-178.8	-177.2	0	0	0	0	112.6	L532 L539 A540	L532-S537 PolarHBondContact O-N 3.12Å; S537-L539 PolarHBondContact O-N 3.25Å; S537-L539 WeakPolarHBondContact OG-CB 3.42Å; S537-L539 WeakPolarHBondContact OG-CG 3.32Å; S537-L539 PolarHBondContact OG-N 2.71Å; S537-A540 WeakPolarHBondContact O-CB 3.42Å; S537-A540 PolarHBondContact O-N 3.3Å
538	D	84.9	Confident	90.3	Very high	119 Å²	119	57 Å²	57	64%	0.636	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-19.9	170.3	61.3	-29.5	0	0	0	113.3	A540 D541	D538-A540 PolarHBondContact O-N 3.02Å; D538-A540 VanDerWaalsContact O-N 3.16Å; D538-D541 PolarHBondContact O-N 3.29Å; D538-D541 VanDerWaalsContact O-N 3.15Å
539	L	88.6	Confident	90.3	Very high	23 Å²	23	57.4 Å²	57.4	12%	0.12	32%	0.317	C	S	.	.	H	α-helix	trans	-60.3	-24	173.4	-58.6	-177	0	0	0	112.5	V470 S537 D541 K542 V543 L602	V470-L539 HydrophobicContact CG1-CD1 3.83Å; S537-L539 PolarHBondContact O-N 3.25Å; S537-L539 WeakPolarHBondContact OG-CB 3.42Å; S537-L539 WeakPolarHBondContact OG-CG 3.32Å; S537-L539 PolarHBondContact OG-N 2.71Å; L539-D541 PolarHBondContact O-N 2.99Å; L539-K542 HydrophobicContact CD2-CD 4.14Å; L539-K542 PolarHBondContact O-N 3.38Å; L539-V543 WeakPolarHBondContact O-CG2 3.42Å; L539-V543 PolarHBondContact O-N 2.9Å; L539-L602 HydrophobicContact CB-CD2 4.02Å; L539-L602 HydrophobicContact CD2-CD2 4.12Å
540	A	89.8	Confident	90.3	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.008	31%	0.311	C	S	.	.	H	α-helix	trans	-60.4	-31	176.8	0	0	0	0	0	113.3	Q529 L532 K533 S537 D538 G544	Q529-A540 HydrophobicContact CG-CB 4.3Å; Q529-A540 WeakPolarHBondContact CG-O 3.31Å; Q529-A540 PolarHBondContact NE2-O 2.93Å; L532-A540 HydrophobicContact CB-CB 3.75Å; K533-A540 HydrophobicContact CB-CB 4.39Å; K533-A540 HydrophobicContact CD-CB 4.34Å; K533-A540 HydrophobicContact CG-CB 3.35Å; S537-A540 WeakPolarHBondContact O-CB 3.42Å; S537-A540 PolarHBondContact O-N 3.3Å; D538-A540 PolarHBondContact O-N 3.02Å; D538-A540 VanDerWaalsContact O-N 3.16Å; A540-G544 PolarHBondContact O-N 2.9Å; A540-G544 VanDerWaalsContact O-N 3.12Å
541	D	89.8	Confident	90.2	Very high	110 Å²	110	54.5 Å²	54.5	59%	0.588	30%	0.3	S	S	*	.	H	α-helix	trans	-75.5	-39.3	178.8	-68.1	-28.2	0	0	0	110.8	D538 L539 V543 G544 E545	D538-D541 PolarHBondContact O-N 3.29Å; D538-D541 VanDerWaalsContact O-N 3.15Å; L539-D541 PolarHBondContact O-N 2.99Å; D541-V543 PolarHBondContact O-N 2.89Å; D541-G544 WeakPolarHBondContact O-CA 3.42Å; D541-G544 PolarHBondContact O-N 3.42Å; D541-G544 VanDerWaalsContact O-N 3.08Å; D541-E545 PolarHBondContact O-N 3.29Å
542	K	90.4	Very high	90.2	Very high	59 Å²	59	52 Å²	52	26%	0.257	29%	0.294	S	S	.	.	H	α-helix	trans	-61.1	-42.6	172.1	-63	-174.5	-178	-173	0	112.2	L539 G544 E545 V546 T601 L602	L539-K542 HydrophobicContact CD2-CD 4.14Å; L539-K542 PolarHBondContact O-N 3.38Å; K542-G544 VanDerWaalsContact C-N 3.25Å; K542-G544 PolarHBondContact O-N 2.92Å; K542-E545 WeakPolarHBondContact O-CB 3.3Å; K542-E545 PolarHBondContact O-N 3.13Å; K542-E545 VanDerWaalsContact O-N 3.13Å; K542-V546 WeakPolarHBondContact O-CG2 3.49Å; K542-V546 PolarHBondContact O-N 3.08Å; K542-T601 VanDerWaalsContact NZ-CB 3.29Å; K542-T601 PolarHBondContact NZ-O 2.85Å; K542-T601 PolarHBondContact NZ-OG1 3.1Å; K542-L602 HydrophobicContact CB-CD2 3.75Å; K542-L602 HydrophobicContact CD-CD2 4.13Å
543	V	91.9	Very high	90.2	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.6	-36.5	173.6	174.8	0	0	0	0	111.2	V477 I525 Q529 L532 L539 D541 V546 Q547 L602	V477-V543 HydrophobicContact CG1-CG1 3.97Å; V477-V543 HydrophobicContact CG1-CG2 3.85Å; V477-V543 HydrophobicContact CG2-CG2 4.48Å; I525-V543 HydrophobicContact CG2-CG1 3.7Å; Q529-V543 HydrophobicContact CB-CG1 3.93Å; Q529-V543 HydrophobicContact CG-CB 4.23Å; Q529-V543 HydrophobicContact CG-CG1 4.07Å; L532-V543 HydrophobicContact CD1-CG2 3.89Å; L539-V543 WeakPolarHBondContact O-CG2 3.42Å; L539-V543 PolarHBondContact O-N 2.9Å; D541-V543 PolarHBondContact O-N 2.89Å; V543-V546 PolarHBondContact O-N 3.43Å; V543-Q547 WeakPolarHBondContact O-CG 3.27Å; V543-Q547 PolarHBondContact O-N 3.15Å; V543-L602 HydrophobicContact CG2-CD1 4.1Å; V543-L602 HydrophobicContact CG2-CD2 4Å
544	G	91.6	Very high	90.2	Very high	22 Å²	22	48.9 Å²	48.9	23%	0.227	28%	0.28	C	S	.	.	H	α-helix	trans	-63.1	-41.2	173	0	0	0	0	0	112.9	A540 D541 K542 Q547 K548	A540-G544 PolarHBondContact O-N 2.9Å; A540-G544 VanDerWaalsContact O-N 3.12Å; D541-G544 WeakPolarHBondContact O-CA 3.42Å; D541-G544 PolarHBondContact O-N 3.42Å; D541-G544 VanDerWaalsContact O-N 3.08Å; K542-G544 VanDerWaalsContact C-N 3.25Å; K542-G544 PolarHBondContact O-N 2.92Å; G544-Q547 PolarHBondContact O-N 3.29Å; G544-K548 PolarHBondContact O-N 3.36Å
545	E	92.4	Very high	90.3	Very high	100 Å²	100	49.9 Å²	49.9	47%	0.467	27%	0.27	S	S	.	.	H	α-helix	trans	-64.6	-43.7	175	-169.4	174.5	-176.3	0	0	111.9	D541 K542 Q547 K548 L549 L598	D541-E545 PolarHBondContact O-N 3.29Å; K542-E545 WeakPolarHBondContact O-CB 3.3Å; K542-E545 PolarHBondContact O-N 3.13Å; K542-E545 VanDerWaalsContact O-N 3.13Å; E545-Q547 VanDerWaalsContact C-N 3.3Å; E545-Q547 PolarHBondContact O-N 3.48Å; E545-K548 WeakPolarHBondContact O-CB 3.36Å; E545-K548 PolarHBondContact O-N 3.41Å; E545-K548 VanDerWaalsContact O-N 3.08Å; E545-L549 HydrophobicContact CG-CD1 4.49Å; E545-L549 WeakPolarHBondContact O-CG 3.45Å; E545-L549 PolarHBondContact O-N 3.31Å; E545-L598 HydrophobicContact CB-CD1 4.09Å; E545-L598 HydrophobicContact CG-CD1 3.7Å
546	V	93.1	Very high	90.4	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	26%	0.259	C	S	.	.	H	α-helix	trans	-58.3	-41.4	174	168.8	0	0	0	0	111.5	V481 K542 V543 D550 I595 L598 L599	V481-V546 HydrophobicContact CG1-CG1 3.96Å; V481-V546 HydrophobicContact CG2-CG1 3.91Å; K542-V546 WeakPolarHBondContact O-CG2 3.49Å; K542-V546 PolarHBondContact O-N 3.08Å; V543-V546 PolarHBondContact O-N 3.43Å; V546-D550 WeakPolarHBondContact O-CB 3.41Å; V546-D550 PolarHBondContact O-N 3.05Å; V546-I595 HydrophobicContact CG1-CG2 4.06Å; V546-L598 HydrophobicContact CG2-CB 3.7Å; V546-L598 HydrophobicContact CG2-CD1 3.92Å; V546-L598 HydrophobicContact CG2-CG 4.49Å; V546-L599 HydrophobicContact CG2-CD2 4.43Å
547	Q	92.3	Very high	90.7	Very high	31 Å²	31	44.3 Å²	44.3	15%	0.145	23%	0.227	C	C	.	.	H	α-helix	trans	-65	-37.7	175	-73.8	-172.6	54.3	0	0	112.8	I525 S526 V543 G544 E545 D550 G551	I525-Q547 HydrophobicContact CG2-CG 3.91Å; S526-Q547 PolarHBondContact OG-OE1 2.93Å; V543-Q547 WeakPolarHBondContact O-CG 3.27Å; V543-Q547 PolarHBondContact O-N 3.15Å; G544-Q547 PolarHBondContact O-N 3.29Å; E545-Q547 VanDerWaalsContact C-N 3.3Å; E545-Q547 PolarHBondContact O-N 3.48Å; Q547-D550 PolarHBondContact O-N 2.86Å; Q547-G551 PolarHBondContact O-N 3.1Å
548	K	93.8	Very high	90.8	Very high	151 Å²	151	44.8 Å²	44.8	66%	0.657	23%	0.23	S	C	*	.	H	α-helix	trans	-66.1	-46.3	177.1	-174.2	-177.1	178.6	-176	0	111.8	G544 E545 D550 G551 Q552	G544-K548 PolarHBondContact O-N 3.36Å; E545-K548 WeakPolarHBondContact O-CB 3.36Å; E545-K548 PolarHBondContact O-N 3.41Å; E545-K548 VanDerWaalsContact O-N 3.08Å; K548-D550 VanDerWaalsContact C-N 3.34Å; K548-G551 PolarHBondContact O-N 3.26Å; K548-Q552 PolarHBondContact O-N 3.06Å
549	L	93	Very high	91	Very high	16 Å²	16	45.2 Å²	45.2	8%	0.084	22%	0.223	C	C	.	.	H	α-helix	trans	-64.5	-40.5	176.7	-67	176.3	0	0	0	111.2	E545 G551 Q552 V553 L591 R594 I595 L598	E545-L549 HydrophobicContact CG-CD1 4.49Å; E545-L549 WeakPolarHBondContact O-CG 3.45Å; E545-L549 PolarHBondContact O-N 3.31Å; L549-G551 VanDerWaalsContact C-N 3.34Å; L549-G551 PolarHBondContact O-N 3.23Å; L549-Q552 WeakPolarHBondContact O-CA 3.3Å; L549-Q552 WeakPolarHBondContact O-CB 3.02Å; L549-Q552 PolarHBondContact O-N 3.46Å; L549-Q552 VanDerWaalsContact O-N 3.08Å; L549-V553 WeakPolarHBondContact O-CG2 3.5Å; L549-V553 PolarHBondContact O-N 3.16Å; L549-L591 HydrophobicContact CD2-CD2 3.9Å; L549-R594 HydrophobicContact CD1-CB 3.94Å; L549-I595 HydrophobicContact CB-CD1 3.96Å; L549-I595 HydrophobicContact CB-CG1 3.63Å; L549-I595 HydrophobicContact CD1-CG1 4.04Å; L549-L598 HydrophobicContact CD1-CD1 3.6Å
550	D	92.8	Very high	90.9	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-63.6	-38	176.4	177.2	85.4	0	0	0	113	R484 Y488 H518 V546 Q547 K548 Q552 V553 K554 I595	R484-D550 WeakPolarHBondContact CD-OD1 3.47Å; R484-D550 WeakPolarHBondContact CD-OD2 3.34Å; R484-D550 IonicContact CZ-OD1 3.77Å; R484-D550 IonicContact CZ-OD2 3.55Å; R484-D550 IonicContact NE-OD1 3.61Å; R484-D550 PolarHBondContact NE-OD1 3.16Å; R484-D550 IonicContact NE-OD2 2.7Å; R484-D550 PolarHBondContact NE-OD2 2.71Å; R484-D550 VanDerWaalsContact NE-OD2 3.11Å; R484-D550 IonicContact NH1-OD2 3.17Å; R484-D550 PolarHBondContact NH1-OD2 2.7Å; R484-D550 VanDerWaalsContact NH1-OD2 3.15Å; R484-D550 IonicContact NH2-OD1 3.88Å; R484-D550 IonicContact NH2-OD2 3.94Å; Y488-D550 WeakPolarHBondContact CE2-OD1 3.42Å; Y488-D550 PolarHBondContact OH-OD1 3Å; Y488-D550 PolarHBondContact OH-OD2 3.01Å; H518-D550 IonicContact CD2-OD2 2.71Å; H518-D550 IonicContact CE1-OD2 3Å; H518-D550 IonicContact NE2-OD2 3.59Å; H518-D550 PolarHBondContact NE2-OD2 3.18Å; V546-D550 WeakPolarHBondContact O-CB 3.41Å; V546-D550 PolarHBondContact O-N 3.05Å; Q547-D550 PolarHBondContact O-N 2.86Å; K548-D550 VanDerWaalsContact C-N 3.34Å; D550-Q552 PolarHBondContact O-N 3.21Å; D550-V553 WeakPolarHBondContact O-CB 3.43Å; D550-V553 PolarHBondContact O-N 2.93Å; D550-V553 VanDerWaalsContact O-N 3.1Å; D550-K554 PolarHBondContact O-N 2.83Å; D550-I595 HydrophobicContact CB-CD1 4.25Å
551	G	91.1	Very high	90.6	Very high	26 Å²	26	44.9 Å²	44.9	27%	0.268	22%	0.222	S	C	.	.	H	α-helix	trans	-55.6	-40.1	171.1	0	0	0	0	0	112.3	Q547 K548 L549 K554 E555	Q547-G551 PolarHBondContact O-N 3.1Å; K548-G551 PolarHBondContact O-N 3.26Å; L549-G551 VanDerWaalsContact C-N 3.34Å; L549-G551 PolarHBondContact O-N 3.23Å; G551-K554 PolarHBondContact O-N 3.39Å; G551-E555 WeakPolarHBondContact O-CG 3.43Å; G551-E555 PolarHBondContact O-N 2.94Å; G551-E555 VanDerWaalsContact O-N 3.08Å
552	Q	92.8	Very high	90.5	Very high	77 Å²	77	44.3 Å²	44.3	36%	0.36	22%	0.215	S	C	.	.	H	α-helix	trans	-69.3	-39.6	175.1	-61.2	175.2	2.2	0	0	112.1	K548 L549 D550 E555 L556 L591	K548-Q552 PolarHBondContact O-N 3.06Å; L549-Q552 WeakPolarHBondContact O-CA 3.3Å; L549-Q552 WeakPolarHBondContact O-CB 3.02Å; L549-Q552 PolarHBondContact O-N 3.46Å; L549-Q552 VanDerWaalsContact O-N 3.08Å; D550-Q552 PolarHBondContact O-N 3.21Å; Q552-E555 PolarHBondContact O-N 2.85Å; Q552-L556 WeakPolarHBondContact O-CG 3.29Å; Q552-L556 PolarHBondContact O-N 2.9Å; Q552-L591 HydrophobicContact CB-CD1 3.62Å; Q552-L591 VanDerWaalsContact OE1-CD2 3.29Å
553	V	91.3	Very high	90.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.5	-47	174.1	173	0	0	0	0	110.5	Y488 L549 D550 E555 L556 V557 R588 L591 V592 I595	Y488-V553 HydrophobicContact CD2-CG1 3.46Å; Y488-V553 VanDerWaalsContact CD2-CG1 3.46Å; Y488-V553 HydrophobicContact CE2-CB 4.14Å; Y488-V553 HydrophobicContact CE2-CG1 3.41Å; Y488-V553 VanDerWaalsContact CE2-CG1 3.41Å; Y488-V553 HydrophobicContact CG-CG1 4.14Å; L549-V553 WeakPolarHBondContact O-CG2 3.5Å; L549-V553 PolarHBondContact O-N 3.16Å; D550-V553 WeakPolarHBondContact O-CB 3.43Å; D550-V553 PolarHBondContact O-N 2.93Å; D550-V553 VanDerWaalsContact O-N 3.1Å; V553-E555 VanDerWaalsContact C-N 3.35Å; V553-E555 PolarHBondContact O-N 2.86Å; V553-L556 PolarHBondContact O-N 3.36Å; V553-L556 VanDerWaalsContact O-N 3.16Å; V553-V557 HydrophobicContact CG1-CG2 4.39Å; V553-V557 WeakPolarHBondContact O-CG2 3.5Å; V553-V557 PolarHBondContact O-N 3.36Å; V553-R588 HydrophobicContact CG1-CG 4.1Å; V553-L591 HydrophobicContact CG2-CB 3.55Å; V553-L591 HydrophobicContact CG2-CD1 4.06Å; V553-L591 HydrophobicContact CG2-CG 4.47Å; V553-V592 HydrophobicContact CG1-CG2 4.41Å; V553-V592 HydrophobicContact CG2-CG2 4.24Å; V553-I595 HydrophobicContact CG2-CD1 3.94Å
554	K	90.9	Very high	90.1	Very high	50 Å²	50	42.7 Å²	42.7	22%	0.217	21%	0.209	C	C	.	.	H	α-helix	trans	-57.3	-46.2	175.7	176.1	176.5	179.8	179.1	0	112	Y488 H518 D550 G551 L556 V557 C558	Y488-K554 HydrophobicContact CE1-CB 4.11Å; H518-K554 WeakPolarHBondContact CE1-CD 3.5Å; H518-K554 VanDerWaalsContact ND1-CD 3.3Å; H518-K554 WeakPolarHBondContact ND1-CD 3.44Å; H518-K554 PolarHBondContact ND1-NZ 3.15Å; D550-K554 PolarHBondContact O-N 2.83Å; G551-K554 PolarHBondContact O-N 3.39Å; K554-L556 VanDerWaalsContact C-N 3.3Å; K554-L556 PolarHBondContact O-N 2.89Å; K554-V557 PolarHBondContact O-N 3.44Å; K554-C558 PolarHBondContact O-N 3.23Å; K554-C558 PolarHBondContact O-SG 3.09Å; K554-C558 VanDerWaalsContact O-SG 3.38Å
555	E	90.6	Very high	90	Very high	107 Å²	107	44.3 Å²	44.3	50%	0.5	21%	0.21	S	C	.	.	H	α-helix	trans	-58.5	-42	176.9	-75.9	-176.7	-162.1	0	0	112.1	G551 Q552 V553 C558 R559	G551-E555 WeakPolarHBondContact O-CG 3.43Å; G551-E555 PolarHBondContact O-N 2.94Å; G551-E555 VanDerWaalsContact O-N 3.08Å; Q552-E555 PolarHBondContact O-N 2.85Å; V553-E555 VanDerWaalsContact C-N 3.35Å; V553-E555 PolarHBondContact O-N 2.86Å; E555-C558 PolarHBondContact O-N 3Å; E555-R559 VanDerWaalsContact O-CG 3.32Å; E555-R559 WeakPolarHBondContact O-CG 3.5Å; E555-R559 PolarHBondContact O-N 3.24Å; E555-R559 IonicContact OE2-NH2 2.78Å
556	L	90.3	Very high	89.8	Confident	16 Å²	16	45 Å²	45	8%	0.084	21%	0.208	C	C	.	.	H	α-helix	trans	-66.6	-38.2	176.6	-66.6	-179.8	0	0	0	112.4	Q552 V553 K554 R559 S560 L584 K587 R588 L591	Q552-L556 WeakPolarHBondContact O-CG 3.29Å; Q552-L556 PolarHBondContact O-N 2.9Å; V553-L556 PolarHBondContact O-N 3.36Å; V553-L556 VanDerWaalsContact O-N 3.16Å; K554-L556 VanDerWaalsContact C-N 3.3Å; K554-L556 PolarHBondContact O-N 2.89Å; L556-R559 PolarHBondContact O-N 3.43Å; L556-S560 WeakPolarHBondContact O-CB 3.15Å; L556-S560 PolarHBondContact O-N 2.94Å; L556-L584 HydrophobicContact CD2-CD2 3.77Å; L556-K587 HydrophobicContact CD1-CB 3.79Å; L556-R588 HydrophobicContact CD1-CB 4.13Å; L556-L591 HydrophobicContact CD1-CD1 3.71Å
557	V	88.3	Confident	89.6	Confident	2 Å²	2	47 Å²	47	1%	0.012	22%	0.219	C	C	.	.	H	α-helix	trans	-63.5	-44.1	173.9	172.6	0	0	0	0	110.4	Y488 M491 L514 V553 K554 R559 S560 W561	Y488-V557 HydrophobicContact CD1-CB 4.3Å; Y488-V557 HydrophobicContact CD1-CG1 4.28Å; Y488-V557 HydrophobicContact CD1-CG2 3.8Å; Y488-V557 HydrophobicContact CG-CG2 3.94Å; M491-V557 HydrophobicContact CB-CG1 4.13Å; M491-V557 HydrophobicContact CG-CG1 3.85Å; L514-V557 HydrophobicContact CD2-CG1 4.1Å; V553-V557 HydrophobicContact CG1-CG2 4.39Å; V553-V557 WeakPolarHBondContact O-CG2 3.5Å; V553-V557 PolarHBondContact O-N 3.36Å; K554-V557 PolarHBondContact O-N 3.44Å; V557-R559 VanDerWaalsContact C-N 3.35Å; V557-R559 PolarHBondContact O-N 3.39Å; V557-S560 PolarHBondContact O-N 3.24Å; V557-W561 WeakPolarHBondContact O-CB 3.29Å; V557-W561 PolarHBondContact O-N 3.38Å
558	C	87.3	Confident	89.3	Confident	29 Å²	29	47.2 Å²	47.2	20%	0.196	22%	0.222	C	C	.	.	H	α-helix	trans	-62	-39.8	174.4	-69.8	0	0	0	0	112.3	K554 E555 W561 Q562	K554-C558 PolarHBondContact O-N 3.23Å; K554-C558 PolarHBondContact O-SG 3.09Å; K554-C558 VanDerWaalsContact O-SG 3.38Å; E555-C558 PolarHBondContact O-N 3Å; C558-W561 PolarHBondContact O-N 2.91Å; C558-Q562 WeakPolarHBondContact O-CG 3.32Å; C558-Q562 PolarHBondContact O-N 2.98Å
559	R	88.3	Confident	89	Confident	127 Å²	127	43 Å²	43	48%	0.479	22%	0.215	S	C	.	.	H	α-helix	trans	-67	-42.1	175.4	-72.4	177.3	-165.2	-175	8.9	112.4	E555 L556 V557 W561 Q562 E563 L584	E555-R559 VanDerWaalsContact O-CG 3.32Å; E555-R559 WeakPolarHBondContact O-CG 3.5Å; E555-R559 PolarHBondContact O-N 3.24Å; E555-R559 IonicContact OE2-NH2 2.78Å; L556-R559 PolarHBondContact O-N 3.43Å; V557-R559 VanDerWaalsContact C-N 3.35Å; V557-R559 PolarHBondContact O-N 3.39Å; R559-W561 VanDerWaalsContact C-N 3.28Å; R559-W561 PolarHBondContact O-N 3.37Å; R559-Q562 PolarHBondContact O-N 3.48Å; R559-E563 WeakPolarHBondContact O-CG 3.42Å; R559-E563 PolarHBondContact O-N 3.33Å; R559-L584 HydrophobicContact CB-CD1 4.25Å; R559-L584 HydrophobicContact CB-CD2 4.22Å
560	S	86.6	Confident	88.5	Confident	10 Å²	10	45.2 Å²	45.2	7%	0.07	24%	0.243	C	C	.	.	H	α-helix	trans	-60.3	-41.8	176.1	175.9	0	0	0	0	111.2	L556 V557 E563 A564	L556-S560 WeakPolarHBondContact O-CB 3.15Å; L556-S560 PolarHBondContact O-N 2.94Å; V557-S560 PolarHBondContact O-N 3.24Å; S560-E563 PolarHBondContact O-N 2.87Å; S560-A564 PolarHBondContact O-N 3.2Å; S560-A564 VanDerWaalsContact O-N 3.11Å
561	W	84.6	Confident	88.2	Confident	8 Å²	8	52.9 Å²	52.9	3%	0.03	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-48.1	173.5	166	52.1	0	0	0	112.9	M491 V495 R511 V557 C558 R559 E563 A564 E565	M491-W561 HydrophobicContact CE-CB 4.03Å; M491-W561 HydrophobicContact CE-CD2 4.28Å; M491-W561 HydrophobicContact CE-CG 3.68Å; V495-W561 HydrophobicContact CG2-CB 4.11Å; V495-W561 HydrophobicContact CG2-CG 4.45Å; R511-W561 VanDerWaalsContact CD-CZ3 3.44Å; R511-W561 HydrophobicContact CG-CZ3 4.45Å; R511-W561 VanDerWaalsContact CZ-CH2 3.43Å; R511-W561 VanDerWaalsContact NE-CZ3 3.34Å; V557-W561 WeakPolarHBondContact O-CB 3.29Å; V557-W561 PolarHBondContact O-N 3.38Å; C558-W561 PolarHBondContact O-N 2.91Å; R559-W561 VanDerWaalsContact C-N 3.28Å; R559-W561 PolarHBondContact O-N 3.37Å; W561-E563 VanDerWaalsContact C-N 3.32Å; W561-E563 PolarHBondContact O-N 2.85Å; W561-A564 WeakPolarHBondContact O-CB 3.29Å; W561-A564 PolarHBondContact O-N 2.86Å; W561-A564 VanDerWaalsContact O-N 3.09Å; W561-E565 HydrophobicContact CZ2-CG 4.49Å; W561-E565 WeakPolarHBondContact CZ2-OE1 3.29Å; W561-E565 WeakPolarHBondContact CZ2-OE2 3.49Å; W561-E565 PolarHBondContact O-N 3.19Å; W561-E565 VanDerWaalsContact O-N 3.1Å
562	Q	88.1	Confident	88.1	Confident	97 Å²	97	52.7 Å²	52.7	45%	0.453	27%	0.269	S	S	.	.	H	α-helix	trans	-60.3	-39	177.1	-74	171.8	-9	0	0	112.8	C558 R559 A564 E565 R566	C558-Q562 WeakPolarHBondContact O-CG 3.32Å; C558-Q562 PolarHBondContact O-N 2.98Å; R559-Q562 PolarHBondContact O-N 3.48Å; Q562-A564 VanDerWaalsContact C-N 3.31Å; Q562-A564 PolarHBondContact O-N 3.43Å; Q562-E565 PolarHBondContact O-N 3.45Å; Q562-R566 WeakPolarHBondContact O-CG 3.33Å; Q562-R566 PolarHBondContact O-N 3.32Å
563	E	87.1	Confident	87.9	Confident	26 Å²	26	56.9 Å²	56.9	12%	0.121	29%	0.287	C	S	.	.	H	α-helix	trans	-66	-34.6	175.7	-72.8	-65.5	122.3	0	0	111.6	R559 S560 W561 R566 L567 Y577 N580 L584	R559-E563 WeakPolarHBondContact O-CG 3.42Å; R559-E563 PolarHBondContact O-N 3.33Å; S560-E563 PolarHBondContact O-N 2.87Å; W561-E563 VanDerWaalsContact C-N 3.32Å; W561-E563 PolarHBondContact O-N 2.85Å; E563-R566 PolarHBondContact O-N 3.4Å; E563-R566 IonicContact OE1-CZ 3.73Å; E563-R566 IonicContact OE1-NE 3.98Å; E563-R566 IonicContact OE1-NH1 2.79Å; E563-R566 PolarHBondContact OE1-NH1 3.42Å; E563-L567 PolarHBondContact O-N 2.87Å; E563-Y577 HydrophobicContact CB-CD2 4.11Å; E563-Y577 HydrophobicContact CB-CE2 4Å; E563-Y577 WeakPolarHBondContact O-CD2 3.41Å; E563-N580 PolarHBondContact OE2-ND2 3.14Å; E563-L584 HydrophobicContact CG-CD1 4.42Å
564	A	86.8	Confident	87.6	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-66.6	-39.1	174.8	0	0	0	0	0	112.2	V495 S560 W561 Q562 L567 V568 Y577	V495-A564 HydrophobicContact CG1-CB 3.53Å; S560-A564 PolarHBondContact O-N 3.2Å; S560-A564 VanDerWaalsContact O-N 3.11Å; W561-A564 WeakPolarHBondContact O-CB 3.29Å; W561-A564 PolarHBondContact O-N 2.86Å; W561-A564 VanDerWaalsContact O-N 3.09Å; Q562-A564 VanDerWaalsContact C-N 3.31Å; Q562-A564 PolarHBondContact O-N 3.43Å; A564-L567 PolarHBondContact O-N 3.15Å; A564-V568 WeakPolarHBondContact O-CG2 3.47Å; A564-V568 PolarHBondContact O-N 2.92Å; A564-Y577 HydrophobicContact CB-CE2 4.3Å
565	E	88.4	Confident	87.4	Confident	55 Å²	55	69.3 Å²	69.3	26%	0.257	34%	0.343	S	S	.	.	H	α-helix	trans	-62	-42.3	171.1	-69	-170.8	128.3	0	0	111.9	Y498 L507 W561 Q562 L567 V568 A569	Y498-E565 HydrophobicContact CE1-CG 4.18Å; L507-E565 HydrophobicContact CD2-CG 3.64Å; W561-E565 HydrophobicContact CZ2-CG 4.49Å; W561-E565 WeakPolarHBondContact CZ2-OE1 3.29Å; W561-E565 WeakPolarHBondContact CZ2-OE2 3.49Å; W561-E565 PolarHBondContact O-N 3.19Å; W561-E565 VanDerWaalsContact O-N 3.1Å; Q562-E565 PolarHBondContact O-N 3.45Å; E565-L567 PolarHBondContact O-N 3.41Å; E565-V568 PolarHBondContact O-N 3.46Å; E565-A569 WeakPolarHBondContact O-CB 3.46Å; E565-A569 PolarHBondContact O-N 3.37Å
566	R	88.8	Confident	87.3	Confident	114 Å²	114	66.3 Å²	66.3	43%	0.43	34%	0.336	S	S	.	.	H	α-helix	trans	-65.2	-36.7	177.2	-69.5	177.3	72.8	-172.3	5.6	112.6	Q562 E563 G570 K571 V572	Q562-R566 WeakPolarHBondContact O-CG 3.33Å; Q562-R566 PolarHBondContact O-N 3.32Å; E563-R566 PolarHBondContact O-N 3.4Å; E563-R566 IonicContact OE1-CZ 3.73Å; E563-R566 IonicContact OE1-NE 3.98Å; E563-R566 IonicContact OE1-NH1 2.79Å; E563-R566 PolarHBondContact OE1-NH1 3.42Å; R566-G570 PolarHBondContact O-N 3.11Å; R566-K571 HydrophobicContact CB-CB 4.32Å; R566-K571 PolarHBondContact O-N 2.83Å; R566-V572 HydrophobicContact CB-CB 4.46Å; R566-V572 HydrophobicContact CB-CG2 3.81Å; R566-V572 PolarHBondContact O-N 3.29Å
567	L	88.6	Confident	87.2	Confident	43 Å²	43	65.9 Å²	65.9	23%	0.225	33%	0.334	C	S	.	.	H	α-helix	trans	-63.8	-52.2	174.2	176.8	70.1	0	0	0	111.2	E563 A564 E565 A569 G570 Y577	E563-L567 PolarHBondContact O-N 2.87Å; A564-L567 PolarHBondContact O-N 3.15Å; E565-L567 PolarHBondContact O-N 3.41Å; L567-A569 VanDerWaalsContact C-N 3.3Å; L567-A569 PolarHBondContact O-N 2.81Å; L567-G570 PolarHBondContact O-N 2.75Å; L567-Y577 HydrophobicContact CB-CD2 3.79Å; L567-Y577 HydrophobicContact CB-CE2 4.22Å; L567-Y577 HydrophobicContact CB-CG 4.1Å; L567-Y577 HydrophobicContact CD1-CD1 4.49Å; L567-Y577 HydrophobicContact CD1-CG 4.1Å; L567-Y577 HydrophobicContact CD2-CD1 3.65Å; L567-Y577 HydrophobicContact CD2-CD2 4.08Å; L567-Y577 HydrophobicContact CD2-CE1 3.81Å; L567-Y577 HydrophobicContact CD2-CE2 4.22Å; L567-Y577 HydrophobicContact CD2-CG 3.8Å; L567-Y577 HydrophobicContact CG-CD2 4.37Å; L567-Y577 HydrophobicContact CG-CG 4.21Å
568	V	86.5	Confident	87.2	Confident	36 Å²	36	69.8 Å²	69.8	22%	0.218	35%	0.354	C	S	.	.	H	α-helix	trans	-65.5	-34.7	-178.3	175.2	0	0	0	0	111.5	Y498 R502 A564 E565 G570	Y498-V568 HydrophobicContact CD1-CG2 4.18Å; Y498-V568 HydrophobicContact CE1-CB 3.91Å; Y498-V568 HydrophobicContact CE1-CG1 4.37Å; Y498-V568 HydrophobicContact CE1-CG2 3.65Å; R502-V568 HydrophobicContact CB-CG1 4.28Å; R502-V568 HydrophobicContact CG-CG1 3.88Å; A564-V568 WeakPolarHBondContact O-CG2 3.47Å; A564-V568 PolarHBondContact O-N 2.92Å; E565-V568 PolarHBondContact O-N 3.46Å; V568-G570 PolarHBondContact O-N 3.07Å
569	A	86.1	Confident	87.2	Confident	62 Å²	62	73.2 Å²	73.2	51%	0.512	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	0.7	174	0	0	0	0	0	114.3	E565 L567 K571	E565-A569 WeakPolarHBondContact O-CB 3.46Å; E565-A569 PolarHBondContact O-N 3.37Å; L567-A569 VanDerWaalsContact C-N 3.3Å; L567-A569 PolarHBondContact O-N 2.81Å; A569-K571 HydrophobicContact CB-CD 4.31Å; A569-K571 HydrophobicContact CB-CG 4.16Å; A569-K571 PolarHBondContact O-N 3.48Å
570	G	83.4	Confident	87.2	Confident	64 Å²	64	70.5 Å²	70.5	66%	0.66	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	13	179.6	0	0	0	0	0	114.9	R566 L567 V568 V572	R566-G570 PolarHBondContact O-N 3.11Å; L567-G570 PolarHBondContact O-N 2.75Å; V568-G570 PolarHBondContact O-N 3.07Å; G570-V572 VanDerWaalsContact C-N 3.35Å
571	K	86.9	Confident	87.3	Confident	161 Å²	161	72.7 Å²	72.7	70%	0.7	37%	0.374	S	S	*	.	S	Bend	trans	-83.2	-9.7	-177.4	-64.6	-178.6	179.1	177.2	0	113.4	R566 A569	R566-K571 HydrophobicContact CB-CB 4.32Å; R566-K571 PolarHBondContact O-N 2.83Å; A569-K571 HydrophobicContact CB-CD 4.31Å; A569-K571 HydrophobicContact CB-CG 4.16Å; A569-K571 PolarHBondContact O-N 3.48Å
572	V	88.1	Confident	87.5	Confident	22 Å²	22	79.9 Å²	79.9	13%	0.133	41%	0.405	C	S	.	.	S	Bend	trans	-137.1	137	178.5	174.1	0	0	0	0	108.9	R566 G570 A576	R566-V572 HydrophobicContact CB-CB 4.46Å; R566-V572 HydrophobicContact CB-CG2 3.81Å; R566-V572 PolarHBondContact O-N 3.29Å; G570-V572 VanDerWaalsContact C-N 3.35Å; V572-A576 HydrophobicContact CG1-CB 4Å
573	K	88.6	Confident	87.6	Confident	166 Å²	166	78.7 Å²	78.7	72%	0.722	41%	0.405	S	S	*	.			trans	-69.6	146.1	175.1	-67.4	-175.3	179.8	-178.5	0	110.3	E575 A576 Y577	K573-E575 VanDerWaalsContact C-N 3.29Å; K573-E575 PolarHBondContact O-N 3.45Å; K573-A576 PolarHBondContact O-N 3.13Å; K573-A576 VanDerWaalsContact O-N 3.11Å; K573-Y577 PolarHBondContact O-N 3.36Å
574	K	86.1	Confident	87.7	Confident	156 Å²	156	78.6 Å²	78.6	68%	0.678	41%	0.405	S	S	*	.	H	α-helix	trans	-53	-42.8	-177.6	-173.1	177.1	178.2	-177.6	0	113.3	Y577 I578	K574-Y577 PolarHBondContact O-N 3.19Å; K574-I578 HydrophobicContact CG-CD1 4.16Å; K574-I578 WeakPolarHBondContact O-CG1 3.34Å; K574-I578 PolarHBondContact O-N 2.79Å; K574-I578 VanDerWaalsContact O-N 3.08Å
575	E	86.9	Confident	87.8	Confident	155 Å²	155	81.2 Å²	81.2	72%	0.724	42%	0.424	S	S	*	.	H	α-helix	trans	-61.2	-48.5	178.2	-68.7	165	-178.5	0	0	111.8	K573 Y577 I578 D579	K573-E575 VanDerWaalsContact C-N 3.29Å; K573-E575 PolarHBondContact O-N 3.45Å; E575-Y577 VanDerWaalsContact C-N 3.31Å; E575-Y577 PolarHBondContact O-N 2.73Å; E575-I578 PolarHBondContact O-N 3.07Å; E575-D579 PolarHBondContact O-N 3.36Å; E575-D579 VanDerWaalsContact O-N 3.13Å
576	A	87	Confident	87.9	Confident	43 Å²	43	82.3 Å²	82.3	36%	0.355	44%	0.437	S	S	.	.	H	α-helix	trans	-64	-34	178.2	0	0	0	0	0	113	V572 K573 N580	V572-A576 HydrophobicContact CG1-CB 4Å; K573-A576 PolarHBondContact O-N 3.13Å; K573-A576 VanDerWaalsContact O-N 3.11Å; A576-N580 WeakPolarHBondContact O-CB 3.43Å; A576-N580 VanDerWaalsContact O-CG 3.27Å; A576-N580 PolarHBondContact O-N 3.01Å; A576-N580 VanDerWaalsContact O-N 3.07Å
577	Y	88.8	Confident	88.1	Confident	8 Å²	8	82.3 Å²	82.3	3%	0.031	44%	0.44	C	S	.	.	H	α-helix	trans	-66	-43.6	173.8	172.4	-90.8	0	0	0	111.9	K499 E563 A564 L567 K573 K574 E575 D579 N580 E581	K499-Y577 WeakPolarHBondContact CE-OH 3.35Å; K499-Y577 PolarHBondContact NZ-OH 3.16Å; K499-Y577 VanDerWaalsContact NZ-OH 3.07Å; E563-Y577 HydrophobicContact CB-CD2 4.11Å; E563-Y577 HydrophobicContact CB-CE2 4Å; E563-Y577 WeakPolarHBondContact O-CD2 3.41Å; A564-Y577 HydrophobicContact CB-CE2 4.3Å; L567-Y577 HydrophobicContact CB-CD2 3.79Å; L567-Y577 HydrophobicContact CB-CE2 4.22Å; L567-Y577 HydrophobicContact CB-CG 4.1Å; L567-Y577 HydrophobicContact CD1-CD1 4.49Å; L567-Y577 HydrophobicContact CD1-CG 4.1Å; L567-Y577 HydrophobicContact CD2-CD1 3.65Å; L567-Y577 HydrophobicContact CD2-CD2 4.08Å; L567-Y577 HydrophobicContact CD2-CE1 3.81Å; L567-Y577 HydrophobicContact CD2-CE2 4.22Å; L567-Y577 HydrophobicContact CD2-CG 3.8Å; L567-Y577 HydrophobicContact CG-CD2 4.37Å; L567-Y577 HydrophobicContact CG-CG 4.21Å; K573-Y577 PolarHBondContact O-N 3.36Å; K574-Y577 PolarHBondContact O-N 3.19Å; E575-Y577 VanDerWaalsContact C-N 3.31Å; E575-Y577 PolarHBondContact O-N 2.73Å; Y577-D579 VanDerWaalsContact C-N 3.32Å; Y577-D579 PolarHBondContact O-N 3.08Å; Y577-N580 PolarHBondContact O-N 2.93Å; Y577-E581 HydrophobicContact CE1-CB 4.18Å; Y577-E581 HydrophobicContact CE1-CG 4.45Å; Y577-E581 WeakPolarHBondContact CE1-OE2 3.1Å; Y577-E581 VanDerWaalsContact O-CB 3.3Å; Y577-E581 WeakPolarHBondContact O-CB 3.37Å; Y577-E581 PolarHBondContact O-N 3.11Å; Y577-E581 PolarHBondContact OH-OE1 3.03Å
578	I	87.1	Confident	88.1	Confident	84 Å²	84	82.1 Å²	82.1	43%	0.431	44%	0.437	S	S	.	.	H	α-helix	trans	-61.8	-42.6	179.5	-68.4	169.8	0	0	0	110.3	K574 E575 E581 K582	K574-I578 HydrophobicContact CG-CD1 4.16Å; K574-I578 WeakPolarHBondContact O-CG1 3.34Å; K574-I578 PolarHBondContact O-N 2.79Å; K574-I578 VanDerWaalsContact O-N 3.08Å; E575-I578 PolarHBondContact O-N 3.07Å; I578-E581 PolarHBondContact O-N 3.32Å; I578-K582 VanDerWaalsContact O-CB 3.29Å; I578-K582 WeakPolarHBondContact O-CB 3.4Å; I578-K582 PolarHBondContact O-N 3.42Å
579	D	89.2	Confident	88.3	Confident	101 Å²	101	86 Å²	86	54%	0.54	46%	0.456	S	S	.	.	H	α-helix	trans	-66.1	-40.9	177.5	-70.3	-23.6	0	0	0	112.2	E575 Y577 T583	E575-D579 PolarHBondContact O-N 3.36Å; E575-D579 VanDerWaalsContact O-N 3.13Å; Y577-D579 VanDerWaalsContact C-N 3.32Å; Y577-D579 PolarHBondContact O-N 3.08Å; D579-T583 WeakPolarHBondContact O-CB 3.3Å; D579-T583 PolarHBondContact O-N 3.27Å; D579-T583 VanDerWaalsContact O-N 3.09Å; D579-T583 PolarHBondContact O-OG1 2.98Å
580	N	88.4	Confident	88.7	Confident	69 Å²	69	87.7 Å²	87.7	37%	0.369	45%	0.453	S	S	.	.	H	α-helix	trans	-65.4	-46	175	-77.3	-10.1	0	0	0	112.1	E563 A576 Y577 T583 L584	E563-N580 PolarHBondContact OE2-ND2 3.14Å; A576-N580 WeakPolarHBondContact O-CB 3.43Å; A576-N580 VanDerWaalsContact O-CG 3.27Å; A576-N580 PolarHBondContact O-N 3.01Å; A576-N580 VanDerWaalsContact O-N 3.07Å; Y577-N580 PolarHBondContact O-N 2.93Å; N580-T583 PolarHBondContact O-N 2.94Å; N580-L584 WeakPolarHBondContact O-CB 3.1Å; N580-L584 WeakPolarHBondContact O-CG 3.33Å; N580-L584 PolarHBondContact O-N 3.44Å
581	E	87.3	Confident	89.1	Confident	57 Å²	57	85.4 Å²	85.4	27%	0.266	43%	0.426	S	S	.	.	H	α-helix	trans	-63.7	-41.3	179.1	-174.3	174.6	-133.8	0	0	111.1	K499 Y577 I578 T583 L584 S585	K499-E581 IonicContact NZ-OE1 3.84Å; K499-E581 PolarHBondContact NZ-OE1 3.02Å; Y577-E581 HydrophobicContact CE1-CB 4.18Å; Y577-E581 HydrophobicContact CE1-CG 4.45Å; Y577-E581 WeakPolarHBondContact CE1-OE2 3.1Å; Y577-E581 VanDerWaalsContact O-CB 3.3Å; Y577-E581 WeakPolarHBondContact O-CB 3.37Å; Y577-E581 PolarHBondContact O-N 3.11Å; Y577-E581 PolarHBondContact OH-OE1 3.03Å; I578-E581 PolarHBondContact O-N 3.32Å; E581-T583 VanDerWaalsContact C-N 3.32Å; E581-T583 PolarHBondContact O-N 3Å; E581-L584 PolarHBondContact O-N 3.3Å; E581-S585 WeakPolarHBondContact O-CB 3.44Å; E581-S585 PolarHBondContact O-N 3.01Å
582	K	89.1	Confident	89.3	Confident	158 Å²	158	79 Å²	79	69%	0.687	40%	0.4	S	S	*	.	H	α-helix	trans	-60.6	-42.2	174.1	-172.7	176.9	-179.1	-178.7	0	111.8	I578 S586	I578-K582 VanDerWaalsContact O-CB 3.29Å; I578-K582 WeakPolarHBondContact O-CB 3.4Å; I578-K582 PolarHBondContact O-N 3.42Å; K582-S586 VanDerWaalsContact O-CB 3.3Å; K582-S586 WeakPolarHBondContact O-CB 3.42Å; K582-S586 PolarHBondContact O-N 3.26Å
583	T	90.9	Very high	89.5	Confident	72 Å²	72	81.9 Å²	81.9	44%	0.442	42%	0.418	S	S	.	.	H	α-helix	trans	-67.4	-44.7	178.2	-57.3	0	0	0	0	112	D579 N580 E581 K587	D579-T583 WeakPolarHBondContact O-CB 3.3Å; D579-T583 PolarHBondContact O-N 3.27Å; D579-T583 VanDerWaalsContact O-N 3.09Å; D579-T583 PolarHBondContact O-OG1 2.98Å; N580-T583 PolarHBondContact O-N 2.94Å; E581-T583 VanDerWaalsContact C-N 3.32Å; E581-T583 PolarHBondContact O-N 3Å; T583-K587 WeakPolarHBondContact O-CG 3.32Å; T583-K587 PolarHBondContact O-N 3.28Å; T583-K587 VanDerWaalsContact O-N 3.16Å
584	L	89.1	Confident	89.6	Confident	25 Å²	25	79.8 Å²	79.8	13%	0.131	41%	0.405	C	S	.	.	H	α-helix	trans	-66.7	-42.6	178.2	-70.7	173.5	0	0	0	111.8	L556 R559 E563 N580 E581 K587 R588	L556-L584 HydrophobicContact CD2-CD2 3.77Å; R559-L584 HydrophobicContact CB-CD1 4.25Å; R559-L584 HydrophobicContact CB-CD2 4.22Å; E563-L584 HydrophobicContact CG-CD1 4.42Å; N580-L584 WeakPolarHBondContact O-CB 3.1Å; N580-L584 WeakPolarHBondContact O-CG 3.33Å; N580-L584 PolarHBondContact O-N 3.44Å; E581-L584 PolarHBondContact O-N 3.3Å; L584-K587 PolarHBondContact O-N 3.08Å; L584-R588 VanDerWaalsContact O-CB 3.31Å; L584-R588 WeakPolarHBondContact O-CB 3.34Å; L584-R588 PolarHBondContact O-N 3.28Å
585	S	87.9	Confident	89.9	Confident	55 Å²	55	72.4 Å²	72.4	39%	0.385	37%	0.373	S	S	.	.	H	α-helix	trans	-64.9	-42.7	178.5	-172.4	0	0	0	0	111.8	E581 R588 L589	E581-S585 WeakPolarHBondContact O-CB 3.44Å; E581-S585 PolarHBondContact O-N 3.01Å; S585-R588 PolarHBondContact O-N 2.87Å; S585-L589 WeakPolarHBondContact O-CB 3.4Å; S585-L589 PolarHBondContact O-N 3.35Å
586	S	91.1	Very high	90	Very high	78 Å²	78	68.1 Å²	68.1	55%	0.545	36%	0.355	S	S	.	.	H	α-helix	trans	-60.5	-47.8	175.5	-176.9	0	0	0	0	112.2	K582 R588 L589 E590	K582-S586 VanDerWaalsContact O-CB 3.3Å; K582-S586 WeakPolarHBondContact O-CB 3.42Å; K582-S586 PolarHBondContact O-N 3.26Å; S586-R588 VanDerWaalsContact C-N 3.33Å; S586-R588 PolarHBondContact O-N 3.05Å; S586-L589 PolarHBondContact O-N 2.94Å; S586-E590 PolarHBondContact O-N 3.49Å
587	K	92.4	Very high	90.2	Very high	113 Å²	113	69.1 Å²	69.1	49%	0.491	36%	0.359	S	S	.	.	H	α-helix	trans	-63.4	-37.9	176.5	-73.1	180	178.1	-177.9	0	112.6	L556 T583 L584 E590 L591	L556-K587 HydrophobicContact CD1-CB 3.79Å; T583-K587 WeakPolarHBondContact O-CG 3.32Å; T583-K587 PolarHBondContact O-N 3.28Å; T583-K587 VanDerWaalsContact O-N 3.16Å; L584-K587 PolarHBondContact O-N 3.08Å; K587-E590 PolarHBondContact O-N 3.1Å; K587-L591 WeakPolarHBondContact O-CG 3.47Å; K587-L591 PolarHBondContact O-N 3.05Å; K587-L591 VanDerWaalsContact O-N 3.11Å
588	R	90	Very high	90.2	Very high	40 Å²	40	69.9 Å²	69.9	15%	0.151	36%	0.364	C	S	.	.	H	α-helix	trans	-66.4	-43.7	176.9	-175.5	176.9	63.1	-179.7	6.9	111.2	D492 V553 L556 L584 S585 S586 E590 L591 V592	D492-R588 IonicContact OD1-CZ 3.8Å; D492-R588 IonicContact OD1-NH1 3.79Å; D492-R588 PolarHBondContact OD1-NH1 3.39Å; D492-R588 IonicContact OD1-NH2 2.75Å; D492-R588 IonicContact OD2-CZ 2.74Å; D492-R588 IonicContact OD2-NH1 3.29Å; D492-R588 PolarHBondContact OD2-NH1 3.02Å; D492-R588 IonicContact OD2-NH2 3.62Å; D492-R588 PolarHBondContact OD2-NH2 3.08Å; V553-R588 HydrophobicContact CG1-CG 4.1Å; L556-R588 HydrophobicContact CD1-CB 4.13Å; L584-R588 VanDerWaalsContact O-CB 3.31Å; L584-R588 WeakPolarHBondContact O-CB 3.34Å; L584-R588 PolarHBondContact O-N 3.28Å; S585-R588 PolarHBondContact O-N 2.87Å; S586-R588 VanDerWaalsContact C-N 3.33Å; S586-R588 PolarHBondContact O-N 3.05Å; R588-E590 VanDerWaalsContact C-N 3.33Å; R588-E590 PolarHBondContact O-N 3.39Å; R588-L591 PolarHBondContact O-N 2.98Å; R588-V592 HydrophobicContact CG-CG2 4.46Å; R588-V592 WeakPolarHBondContact O-CG2 3.44Å; R588-V592 PolarHBondContact O-N 3.09Å
589	L	90.6	Very high	90.2	Very high	117 Å²	117	66.4 Å²	66.4	61%	0.613	35%	0.346	S	S	*	.	H	α-helix	trans	-59.4	-45.7	176.1	-177.5	63.8	0	0	0	110.7	S585 S586 L591 V592 T593	S585-L589 WeakPolarHBondContact O-CB 3.4Å; S585-L589 PolarHBondContact O-N 3.35Å; S586-L589 PolarHBondContact O-N 2.94Å; L589-L591 VanDerWaalsContact C-N 3.35Å; L589-L591 PolarHBondContact O-N 3.38Å; L589-V592 PolarHBondContact O-N 3.28Å; L589-T593 PolarHBondContact O-N 2.91Å; L589-T593 PolarHBondContact O-OG1 2.88Å
590	E	93.2	Very high	90.1	Very high	98 Å²	98	68.2 Å²	68.2	46%	0.458	36%	0.356	S	S	.	.	H	α-helix	trans	-57.2	-44.9	176.1	-172.5	-175	175	0	0	112.5	S586 K587 R588 T593 R594	S586-E590 PolarHBondContact O-N 3.49Å; K587-E590 PolarHBondContact O-N 3.1Å; R588-E590 VanDerWaalsContact C-N 3.33Å; R588-E590 PolarHBondContact O-N 3.39Å; E590-T593 PolarHBondContact O-N 3.07Å; E590-R594 WeakPolarHBondContact O-CG 3.45Å; E590-R594 PolarHBondContact O-N 3.16Å; E590-R594 IonicContact OE1-CZ 2.72Å; E590-R594 IonicContact OE1-NE 3.46Å; E590-R594 IonicContact OE1-NH2 3.01Å; E590-R594 PolarHBondContact OE1-NH2 3.36Å
591	L	92.1	Very high	89.8	Confident	16 Å²	16	68.2 Å²	68.2	8%	0.084	36%	0.359	C	S	.	.	H	α-helix	trans	-67.4	-38.9	177.8	-70.8	175.3	0	0	0	112.8	L549 Q552 V553 L556 K587 R588 L589 R594 I595	L549-L591 HydrophobicContact CD2-CD2 3.9Å; Q552-L591 HydrophobicContact CB-CD1 3.62Å; Q552-L591 VanDerWaalsContact OE1-CD2 3.29Å; V553-L591 HydrophobicContact CG2-CB 3.55Å; V553-L591 HydrophobicContact CG2-CD1 4.06Å; V553-L591 HydrophobicContact CG2-CG 4.47Å; L556-L591 HydrophobicContact CD1-CD1 3.71Å; K587-L591 WeakPolarHBondContact O-CG 3.47Å; K587-L591 PolarHBondContact O-N 3.05Å; K587-L591 VanDerWaalsContact O-N 3.11Å; R588-L591 PolarHBondContact O-N 2.98Å; L589-L591 VanDerWaalsContact C-N 3.35Å; L589-L591 PolarHBondContact O-N 3.38Å; L591-R594 PolarHBondContact O-N 3.05Å; L591-I595 WeakPolarHBondContact O-CG1 3.35Å; L591-I595 PolarHBondContact O-N 3.05Å
592	V	90.9	Very high	89.3	Confident	27 Å²	27	68.2 Å²	68.2	16%	0.164	36%	0.36	C	S	.	.	H	α-helix	trans	-65.6	-43.9	175.5	172.8	0	0	0	0	110.4	L485 V553 R588 L589 R594 I595 D596	L485-V592 HydrophobicContact CD2-CG1 4.49Å; L485-V592 HydrophobicContact CD2-CG2 4.16Å; V553-V592 HydrophobicContact CG1-CG2 4.41Å; V553-V592 HydrophobicContact CG2-CG2 4.24Å; R588-V592 HydrophobicContact CG-CG2 4.46Å; R588-V592 WeakPolarHBondContact O-CG2 3.44Å; R588-V592 PolarHBondContact O-N 3.09Å; L589-V592 PolarHBondContact O-N 3.28Å; V592-R594 VanDerWaalsContact C-N 3.26Å; V592-R594 PolarHBondContact O-N 2.79Å; V592-I595 WeakPolarHBondContact O-CA 3.48Å; V592-I595 WeakPolarHBondContact O-CB 3.48Å; V592-I595 PolarHBondContact O-N 3.11Å; V592-D596 PolarHBondContact O-N 2.88Å
593	T	91.8	Very high	89.3	Confident	82 Å²	82	63.7 Å²	63.7	50%	0.503	34%	0.343	S	S	.	.	H	α-helix	trans	-58.7	-38.2	174.4	-54.9	0	0	0	0	111.9	L589 E590 D596 S597	L589-T593 PolarHBondContact O-N 2.91Å; L589-T593 PolarHBondContact O-OG1 2.88Å; E590-T593 PolarHBondContact O-N 3.07Å; T593-D596 PolarHBondContact O-N 3.39Å; T593-S597 WeakPolarHBondContact O-CB 3.4Å; T593-S597 PolarHBondContact O-N 3.1Å
594	R	92.6	Very high	89.2	Confident	122 Å²	122	63.3 Å²	63.3	46%	0.46	34%	0.338	S	S	.	.	H	α-helix	trans	-67.1	-41.4	174.5	-71.1	176.5	-170.3	-159.6	3.6	112	L549 E590 L591 V592 S597 L598	L549-R594 HydrophobicContact CD1-CB 3.94Å; E590-R594 WeakPolarHBondContact O-CG 3.45Å; E590-R594 PolarHBondContact O-N 3.16Å; E590-R594 IonicContact OE1-CZ 2.72Å; E590-R594 IonicContact OE1-NE 3.46Å; E590-R594 IonicContact OE1-NH2 3.01Å; E590-R594 PolarHBondContact OE1-NH2 3.36Å; L591-R594 PolarHBondContact O-N 3.05Å; V592-R594 VanDerWaalsContact C-N 3.26Å; V592-R594 PolarHBondContact O-N 2.79Å; R594-S597 WeakPolarHBondContact CA-OG 3.49Å; R594-S597 PolarHBondContact O-N 3.02Å; R594-S597 PolarHBondContact O-OG 3.44Å; R594-L598 WeakPolarHBondContact O-CG 3.33Å; R594-L598 PolarHBondContact O-N 2.89Å; R594-L598 VanDerWaalsContact O-N 3.08Å
595	I	91.2	Very high	89.3	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-59.9	-48.8	174	-71	166	0	0	0	109.8	V481 L485 V546 L549 D550 V553 L591 V592 S597 L598 L599	V481-I595 HydrophobicContact CG1-CG2 4.08Å; L485-I595 HydrophobicContact CD1-CG2 4.31Å; L485-I595 HydrophobicContact CD2-CD1 4.43Å; V546-I595 HydrophobicContact CG1-CG2 4.06Å; L549-I595 HydrophobicContact CB-CD1 3.96Å; L549-I595 HydrophobicContact CB-CG1 3.63Å; L549-I595 HydrophobicContact CD1-CG1 4.04Å; D550-I595 HydrophobicContact CB-CD1 4.25Å; V553-I595 HydrophobicContact CG2-CD1 3.94Å; L591-I595 WeakPolarHBondContact O-CG1 3.35Å; L591-I595 PolarHBondContact O-N 3.05Å; V592-I595 WeakPolarHBondContact O-CA 3.48Å; V592-I595 WeakPolarHBondContact O-CB 3.48Å; V592-I595 PolarHBondContact O-N 3.11Å; I595-S597 VanDerWaalsContact C-N 3.32Å; I595-S597 PolarHBondContact O-N 3.22Å; I595-L598 WeakPolarHBondContact O-CB 3.41Å; I595-L598 PolarHBondContact O-N 3.11Å; I595-L599 HydrophobicContact CG2-CD1 3.93Å; I595-L599 HydrophobicContact CG2-CG 4.18Å; I595-L599 WeakPolarHBondContact O-CG 3.38Å; I595-L599 PolarHBondContact O-N 2.92Å
596	D	90	Very high	89.3	Confident	65 Å²	65	66 Å²	66	35%	0.348	35%	0.348	S	S	.	.	H	α-helix	trans	-58.6	-44	178.7	-65.8	-23.7	0	0	0	111	V592 T593 L598 L599 D600	V592-D596 PolarHBondContact O-N 2.88Å; T593-D596 PolarHBondContact O-N 3.39Å; D596-L598 VanDerWaalsContact C-N 3.26Å; D596-L598 PolarHBondContact O-N 3.2Å; D596-L599 WeakPolarHBondContact O-CB 3.43Å; D596-L599 PolarHBondContact O-N 3.41Å; D596-L599 VanDerWaalsContact O-N 3.13Å; D596-D600 PolarHBondContact O-N 3.49Å
597	S	90.5	Very high	89.2	Confident	64 Å²	64	65.3 Å²	65.3	45%	0.448	34%	0.335	S	S	.	.	H	α-helix	trans	-62.9	-30.2	176.3	73.4	0	0	0	0	113.9	T593 R594 I595 T601	T593-S597 WeakPolarHBondContact O-CB 3.4Å; T593-S597 PolarHBondContact O-N 3.1Å; R594-S597 WeakPolarHBondContact CA-OG 3.49Å; R594-S597 PolarHBondContact O-N 3.02Å; R594-S597 PolarHBondContact O-OG 3.44Å; I595-S597 VanDerWaalsContact C-N 3.32Å; I595-S597 PolarHBondContact O-N 3.22Å; S597-T601 WeakPolarHBondContact O-CG2 3.36Å
598	L	88.6	Confident	89	Confident	25 Å²	25	62.1 Å²	62.1	13%	0.131	33%	0.325	C	S	.	.	H	α-helix	trans	-76.4	-40.2	174.5	-73.7	171.1	0	0	0	110.9	E545 V546 L549 R594 I595 D596 D600 T601 L602	E545-L598 HydrophobicContact CB-CD1 4.09Å; E545-L598 HydrophobicContact CG-CD1 3.7Å; V546-L598 HydrophobicContact CG2-CB 3.7Å; V546-L598 HydrophobicContact CG2-CD1 3.92Å; V546-L598 HydrophobicContact CG2-CG 4.49Å; L549-L598 HydrophobicContact CD1-CD1 3.6Å; R594-L598 WeakPolarHBondContact O-CG 3.33Å; R594-L598 PolarHBondContact O-N 2.89Å; R594-L598 VanDerWaalsContact O-N 3.08Å; I595-L598 WeakPolarHBondContact O-CB 3.41Å; I595-L598 PolarHBondContact O-N 3.11Å; D596-L598 VanDerWaalsContact C-N 3.26Å; D596-L598 PolarHBondContact O-N 3.2Å; L598-D600 VanDerWaalsContact C-N 3.31Å; L598-D600 PolarHBondContact O-N 3.43Å; L598-T601 PolarHBondContact O-N 3.04Å; L598-T601 VanDerWaalsContact O-N 3.08Å; L598-T601 PolarHBondContact O-OG1 3.33Å; L598-L602 PolarHBondContact O-N 3.29Å
599	L	87.7	Confident	88.9	Confident	10 Å²	10	63.6 Å²	63.6	5%	0.052	34%	0.337	C	S	.	.	H	α-helix	trans	-62	-36.4	176.4	-67.8	177.1	0	0	0	112.1	L478 V481 V546 I595 D596 T601 L602	L478-L599 HydrophobicContact CD1-CB 4Å; L478-L599 HydrophobicContact CD1-CD1 3.99Å; L478-L599 HydrophobicContact CD1-CD2 3.94Å; L478-L599 HydrophobicContact CD1-CG 4.19Å; V481-L599 HydrophobicContact CB-CD1 4.49Å; V481-L599 HydrophobicContact CB-CD2 4.23Å; V481-L599 HydrophobicContact CG1-CD1 3.8Å; V481-L599 HydrophobicContact CG1-CD2 4.06Å; V481-L599 HydrophobicContact CG1-CG 4.43Å; V481-L599 HydrophobicContact CG2-CD2 4.36Å; V546-L599 HydrophobicContact CG2-CD2 4.43Å; I595-L599 HydrophobicContact CG2-CD1 3.93Å; I595-L599 HydrophobicContact CG2-CG 4.18Å; I595-L599 WeakPolarHBondContact O-CG 3.38Å; I595-L599 PolarHBondContact O-N 2.92Å; D596-L599 WeakPolarHBondContact O-CB 3.43Å; D596-L599 PolarHBondContact O-N 3.41Å; D596-L599 VanDerWaalsContact O-N 3.13Å; L599-T601 PolarHBondContact O-N 3.45Å; L599-T601 VanDerWaalsContact O-N 3.15Å; L599-L602 HydrophobicContact CD2-CD1 3.69Å; L599-L602 WeakPolarHBondContact O-CB 3.37Å; L599-L602 PolarHBondContact O-N 3.29Å; L599-L602 VanDerWaalsContact O-N 3.15Å
600	D	86.4	Confident	88.8	Confident	140 Å²	140	59.5 Å²	59.5	75%	0.749	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.4	175.1	-72.7	-21.5	0	0	0	113.2	D596 L598	D596-D600 PolarHBondContact O-N 3.49Å; L598-D600 VanDerWaalsContact C-N 3.31Å; L598-D600 PolarHBondContact O-N 3.43Å
601	T	82.3	Confident	88.5	Confident	69 Å²	69	56.3 Å²	56.3	42%	0.423	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	2.7	179.1	75	0	0	0	0	113.7	K542 S597 L598 L599	K542-T601 VanDerWaalsContact NZ-CB 3.29Å; K542-T601 PolarHBondContact NZ-O 2.85Å; K542-T601 PolarHBondContact NZ-OG1 3.1Å; S597-T601 WeakPolarHBondContact O-CG2 3.36Å; L598-T601 PolarHBondContact O-N 3.04Å; L598-T601 VanDerWaalsContact O-N 3.08Å; L598-T601 PolarHBondContact O-OG1 3.33Å; L599-T601 PolarHBondContact O-N 3.45Å; L599-T601 VanDerWaalsContact O-N 3.15Å
602	L	77.4	Confident	88.1	Confident	56 Å²	56	60 Å²	60	29%	0.293	33%	0.325	S	S	.	.			trans	-89.8	0	170.1	-71.3	-179.2	0	0	0	108.9	T474 L539 K542 V543 L598 L599	T474-L602 HydrophobicContact CG2-CB 3.65Å; T474-L602 WeakPolarHBondContact CG2-O 3.19Å; L539-L602 HydrophobicContact CB-CD2 4.02Å; L539-L602 HydrophobicContact CD2-CD2 4.12Å; K542-L602 HydrophobicContact CB-CD2 3.75Å; K542-L602 HydrophobicContact CD-CD2 4.13Å; V543-L602 HydrophobicContact CG2-CD1 4.1Å; V543-L602 HydrophobicContact CG2-CD2 4Å; L598-L602 PolarHBondContact O-N 3.29Å; L599-L602 HydrophobicContact CD2-CD1 3.69Å; L599-L602 WeakPolarHBondContact O-CB 3.37Å; L599-L602 PolarHBondContact O-N 3.29Å; L599-L602 VanDerWaalsContact O-N 3.15Å

Retrieved 602 of 602 residues in 188.2 ms (Link to these results)

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