A0A3Q0KK07_SCHMA Loading...

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 A0A3Q0KK07, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 578 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	37.6	Very low	37	Very low	244 Å²	244	159.5 Å²	159.5	100%	1.202	79%	0.794	S	S	*	*				0	88.3	0	-89.6	-169.6	167.2	0	0	108.6
2	L	33.6	Very low	37.7	Very low	168 Å²	168	151.8 Å²	151.8	88%	0.88	77%	0.774	S	S	*	*			trans	-129.6	114.7	164.5	-102	99.1	0	0	0	106.2	F4	L2-F4 PolarHBondContact O-N 3.29Å
3	F	34.7	Very low	38.5	Very low	202 Å²	202	153.4 Å²	153.4	89%	0.886	78%	0.784	S	S	*	*			trans	-68.4	111.6	175.5	-109.3	-97.1	0	0	0	108.6	F5	F3-F5 PolarHBondContact O-N 3.16Å
4	F	37.1	Very low	40.9	Very low	188 Å²	188	146.2 Å²	146.2	83%	0.825	77%	0.767	S	S	*	*			trans	-75.2	106	164.8	-108.2	-91.9	0	0	0	108	L2 F6	L2-F4 PolarHBondContact O-N 3.29Å; F4-F6 PolarHBondContact O-N 3.31Å; F4-F6 VanDerWaalsContact O-N 3.16Å
5	F	36.6	Very low	43.8	Very low	182 Å²	182	137.5 Å²	137.5	80%	0.798	72%	0.721	S	S	*	*			trans	-72.2	99.5	168.8	-119.7	-92.8	0	0	0	108.2	F3 L7	F3-F5 PolarHBondContact O-N 3.16Å; F5-L7 PolarHBondContact O-N 3.1Å
6	F	39.2	Very low	46.7	Very low	186 Å²	186	134.1 Å²	134.1	82%	0.816	70%	0.699	S	S	*	*			trans	-73.1	101.7	163.9	-116.8	-90.4	0	0	0	107.5	F4 L8	F4-F6 PolarHBondContact O-N 3.31Å; F4-F6 VanDerWaalsContact O-N 3.16Å; F6-L8 PolarHBondContact O-N 3.13Å; F6-L8 VanDerWaalsContact O-N 3.13Å
7	L	36.9	Very low	49.4	Very low	150 Å²	150	126.2 Å²	126.2	79%	0.785	66%	0.657	S	S	*	*			trans	-68.3	104.9	168.2	-109.5	138.8	0	0	0	108	F5 V9	F5-L7 PolarHBondContact O-N 3.1Å; L7-V9 PolarHBondContact O-N 3.22Å; L7-V9 VanDerWaalsContact O-N 3.1Å
8	L	34.7	Very low	51.9	Low	158 Å²	158	121.1 Å²	121.1	83%	0.827	63%	0.631	S	S	*	*			trans	-59.6	105.4	168.2	-102.4	134.6	0	0	0	109.2	F6 V10	F6-L8 PolarHBondContact O-N 3.13Å; F6-L8 VanDerWaalsContact O-N 3.13Å; L8-V10 PolarHBondContact O-N 2.9Å
9	V	40.8	Very low	54.1	Low	70 Å²	70	118.3 Å²	118.3	42%	0.424	62%	0.617	S	S	.	*			trans	-71.5	107.8	163.5	177.4	0	0	0	0	106.7	L7 P11 M82	L7-V9 PolarHBondContact O-N 3.22Å; L7-V9 VanDerWaalsContact O-N 3.1Å; V9-P11 WeakPolarHBondContact O-CD 3.34Å; V9-M82 HydrophobicContact CG1-CE 4.3Å; V9-M82 HydrophobicContact CG2-CE 4.07Å; V9-M82 HydrophobicContact CG2-SD 4.44Å
10	V	36.5	Very low	56.1	Low	115 Å²	115	112.4 Å²	112.4	70%	0.697	59%	0.586	S	S	*	*			trans	-63.1	116.5	170.9	178	0	0	0	0	107.4	L8 A12	L8-V10 PolarHBondContact O-N 2.9Å; V10-A12 PolarHBondContact O-N 3.34Å
11	P	39.9	Very low	58	Low	91 Å²	91	108.7 Å²	108.7	59%	0.591	57%	0.568	S	S	*	*			trans	-65.9	128.9	173.1	28.3	-31.3	0	0	0	107.3	V9 L13	V9-P11 WeakPolarHBondContact O-CD 3.34Å; P11-L13 PolarHBondContact O-N 3.25Å
12	A	45.4	Very low	60.7	Low	67 Å²	67	97.7 Å²	97.7	55%	0.554	51%	0.513	S	S	*	.			trans	-57.9	106.2	171.7	0	0	0	0	0	108.2	V10 G14	V10-A12 PolarHBondContact O-N 3.34Å; A12-G14 PolarHBondContact O-N 3.29Å
13	L	47.6	Very low	63.7	Low	173 Å²	173	90.4 Å²	90.4	91%	0.906	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	98	176.7	-89.5	89	0	0	0	108.8	P11	P11-L13 PolarHBondContact O-N 3.25Å
14	G	72	Confident	66.6	Low	53 Å²	53	80.9 Å²	80.9	55%	0.546	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	151.6	-38.8	168	0	0	0	0	0	115.4	A12	A12-G14 PolarHBondContact O-N 3.29Å
15	L	85.1	Confident	69.3	Low	16 Å²	16	77.5 Å²	77.5	8%	0.084	42%	0.416	C	S	.	.			trans	-82.7	126.4	-170.5	-168.1	73.5	0	0	0	112.3	E41 P43 Y46 Y137	L15-E41 HydrophobicContact CD1-CG 3.58Å; L15-P43 HydrophobicContact CD1-CB 4.33Å; L15-P43 HydrophobicContact CD1-CG 4.07Å; L15-P43 HydrophobicContact CD2-CB 4.25Å; L15-P43 HydrophobicContact CD2-CG 3.83Å; L15-Y46 HydrophobicContact CD2-CD2 3.54Å; L15-Y46 HydrophobicContact CD2-CE2 3.8Å; L15-Y137 HydrophobicContact CB-CD1 4.2Å; L15-Y137 HydrophobicContact CB-CE1 4.27Å; L15-Y137 HydrophobicContact CD2-CD1 4.04Å; L15-Y137 HydrophobicContact CD2-CE1 3.74Å; L15-Y137 HydrophobicContact CD2-CE2 4.26Å; L15-Y137 HydrophobicContact CD2-CG 4.43Å; L15-Y137 HydrophobicContact CG-CD1 4.44Å
16	K	90.4	Very high	72	Confident	82 Å²	82	69.6 Å²	69.6	36%	0.357	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	148.4	173.2	65	176.2	-171	153.2	0	112	S40 D140	K16-S40 WeakPolarHBondContact CG-OG 3.34Å; K16-S40 PolarHBondContact N-OG 3.07Å; K16-S40 PolarHBondContact O-N 3.15Å; K16-S40 PolarHBondContact O-OG 3.49Å; K16-D140 WeakPolarHBondContact CD-OD2 3.27Å; K16-D140 WeakPolarHBondContact CE-OD2 3.39Å; K16-D140 IonicContact NZ-OD2 2.73Å; K16-D140 PolarHBondContact NZ-OD2 3.02Å
17	N	92.7	Very high	74.4	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	109.9	172.3	-58	-28.3	0	0	0	108	V20 I37 L39 Y46 S135 L138 T139 D140	N17-V20 HydrophobicContact CB-CG2 3.81Å; N17-I37 HydrophobicContact CB-CG2 4.41Å; N17-L39 VanDerWaalsContact OD1-CD2 3.24Å; N17-L39 WeakPolarHBondContact OD1-CD2 3.4Å; N17-Y46 PolarHBondContact ND2-OH 3.08Å; N17-Y46 PolarHBondContact OD1-OH 3.47Å; N17-S135 PolarHBondContact ND2-OG 3.41Å; N17-L138 PolarHBondContact N-O 3.39Å; N17-T139 HydrophobicContact CB-CG2 4.05Å; N17-T139 PolarHBondContact ND2-OG1 3.47Å; N17-T139 CarbonylContact O-C 3.39Å; N17-T139 WeakPolarHBondContact O-CA 3.41Å; N17-D140 PolarHBondContact O-N 2.87Å
18	I	92.8	Very high	76.7	Confident	35 Å²	35	58 Å²	58	18%	0.179	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	-48.2	-178.6	-64.3	176.9	0	0	0	110.3	L38 Q97 D140 N141	I18-L38 HydrophobicContact CB-CD2 4.18Å; I18-L38 HydrophobicContact CB-CG 4.2Å; I18-L38 HydrophobicContact CG2-CD2 4.04Å; I18-L38 PolarHBondContact N-O 2.81Å; I18-Q97 HydrophobicContact CD1-CG 4.12Å; I18-D140 WeakPolarHBondContact O-CB 3.34Å; I18-N141 PolarHBondContact O-N 2.96Å; I18-N141 VanDerWaalsContact O-N 3.12Å
19	N	94.1	Very high	79.3	Confident	68 Å²	68	50.9 Å²	50.9	36%	0.364	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	127.8	-178.1	-169	-2.1	0	0	0	110.1	L38 N141	N19-L38 HydrophobicContact CB-CB 4.14Å; N19-L38 HydrophobicContact CB-CD2 4.43Å; N19-L38 PolarHBondContact O-N 3.26Å; N19-N141 CarbonylContact C-O 3.59Å; N19-N141 WeakPolarHBondContact CA-O 3.46Å
20	V	94.7	Very high	81.8	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	114.2	176.2	-178.8	0	0	0	0	109.6	N17 N36 I37 F133 T139 N141 Q142 L143	N17-V20 HydrophobicContact CB-CG2 3.81Å; V20-N36 WeakPolarHBondContact CA-O 2.91Å; V20-I37 HydrophobicContact CG1-CG1 4.23Å; V20-I37 HydrophobicContact CG2-CG1 4.36Å; V20-I37 HydrophobicContact CG2-CG2 4.15Å; V20-F133 HydrophobicContact CB-CD1 4.34Å; V20-F133 HydrophobicContact CG1-CB 3.94Å; V20-F133 HydrophobicContact CG1-CD1 3.82Å; V20-F133 HydrophobicContact CG1-CD2 4.16Å; V20-F133 HydrophobicContact CG1-CE1 4.33Å; V20-F133 HydrophobicContact CG1-CG 3.71Å; V20-F133 HydrophobicContact CG2-CD1 3.88Å; V20-F133 HydrophobicContact CG2-CE1 4.23Å; V20-T139 HydrophobicContact CB-CG2 4.16Å; V20-T139 HydrophobicContact CG2-CG2 3.63Å; V20-N141 PolarHBondContact N-O 3.35Å; V20-Q142 HydrophobicContact CB-CB 4.15Å; V20-Q142 CarbonylContact O-C 3.46Å; V20-Q142 VanDerWaalsContact O-CA 3.24Å; V20-Q142 WeakPolarHBondContact O-CA 3.49Å; V20-L143 PolarHBondContact O-N 2.76Å
21	T	95.2	Very high	84.5	Confident	35 Å²	35	42 Å²	42	22%	0.215	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	112.4	170.2	-57.9	0	0	0	0	109.2	N36 L143 Y145	T21-N36 PolarHBondContact N-O 2.88Å; T21-N36 PolarHBondContact O-N 2.65Å; T21-L143 WeakPolarHBondContact CA-O 3.5Å; T21-Y145 HydrophobicContact CG2-CD2 3.57Å; T21-Y145 HydrophobicContact CG2-CE2 3.58Å
22	R	95.4	Very high	87.2	Confident	13 Å²	13	39.3 Å²	39.3	5%	0.049	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.3	177	-177	173.4	63.8	161.8	6	109.8	I24 I33 H34 H35 N130 T131 Y132 L143 T144 Y145	R22-I24 HydrophobicContact CG-CG1 4.45Å; R22-I33 HydrophobicContact CG-CG2 3.71Å; R22-H34 CarbonylContact C-O 3.53Å; R22-H34 WeakPolarHBondContact CA-O 3.25Å; R22-H35 WeakPolarHBondContact CD-NE2 3.35Å; R22-H35 WeakPolarHBondContact CG-NE2 3.38Å; R22-N130 VanDerWaalsContact CZ-O 3.24Å; R22-N130 PolarHBondContact NH1-O 2.62Å; R22-N130 PolarHBondContact NH2-O 2.97Å; R22-T131 PolarHBondContact NH2-O 3.05Å; R22-Y132 PolarHBondContact NH1-O 2.86Å; R22-L143 PolarHBondContact N-O 2.88Å; R22-T144 HydrophobicContact CB-CG2 4.5Å; R22-T144 PolarHBondContact NE-OG1 2.83Å; R22-T144 VanDerWaalsContact NE-OG1 3.09Å; R22-T144 PolarHBondContact NH2-OG1 3.34Å; R22-T144 CarbonylContact O-C 3.58Å; R22-T144 VanDerWaalsContact O-CA 3.31Å; R22-T144 WeakPolarHBondContact O-CA 3.41Å; R22-Y145 PolarHBondContact O-N 2.94Å
23	T	95.6	Very high	89.5	Confident	15 Å²	15	36.6 Å²	36.6	9%	0.092	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	115.6	-179.6	-56.5	0	0	0	0	110	R25 I33 H34 Y145 H147	T23-R25 HydrophobicContact CG2-CG 4.27Å; T23-I33 WeakPolarHBondContact O-CA 3.39Å; T23-H34 PolarHBondContact N-O 2.85Å; T23-H34 PolarHBondContact O-N 3.24Å; T23-Y145 CarbonylContact C-O 3.54Å; T23-Y145 VanDerWaalsContact CA-O 3.29Å; T23-Y145 WeakPolarHBondContact CA-O 3.45Å; T23-H147 VanDerWaalsContact CG2-CD2 3.43Å; T23-H147 WeakPolarHBondContact CG2-CD2 3.49Å; T23-H147 WeakPolarHBondContact CG2-NE2 3.32Å
24	I	95.4	Very high	91.8	Very high	2 Å²	2	31 Å²	31	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	127.2	179.5	-55.5	177.2	0	0	0	108.8	R22 F26 V31 I33 F127 T144 Y145 I146 H147	R22-I24 HydrophobicContact CG-CG1 4.45Å; I24-F26 HydrophobicContact CG2-CE1 4.12Å; I24-F26 HydrophobicContact CG2-CE2 4.29Å; I24-F26 HydrophobicContact CG2-CZ 3.8Å; I24-V31 HydrophobicContact CG2-CG1 3.71Å; I24-I33 HydrophobicContact CG1-CG1 4.31Å; I24-I33 HydrophobicContact CG1-CG2 4.22Å; I24-F127 HydrophobicContact CD1-CE1 4.31Å; I24-F127 HydrophobicContact CD1-CZ 4.36Å; I24-F127 HydrophobicContact CG2-CZ 4.3Å; I24-T144 HydrophobicContact CD1-CG2 4.02Å; I24-T144 HydrophobicContact CG1-CG2 4.39Å; I24-Y145 PolarHBondContact N-O 2.78Å; I24-I146 HydrophobicContact CB-CG1 4.32Å; I24-I146 HydrophobicContact CB-CG2 4.39Å; I24-I146 HydrophobicContact CD1-CD1 4.33Å; I24-I146 HydrophobicContact CD1-CG1 4.25Å; I24-H147 PolarHBondContact O-N 3.46Å
25	R	94.2	Very high	92.9	Very high	117 Å²	117	28.8 Å²	28.8	44%	0.442	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132.3	178.7	-66.5	178.4	180	156.1	0	110.5	T23 K32 H147	T23-R25 HydrophobicContact CG2-CG 4.27Å; R25-K32 PolarHBondContact N-O 2.82Å; R25-K32 PolarHBondContact O-N 3.02Å; R25-H147 HydrophobicContact CG-CB 4.18Å
26	F	92.8	Very high	93.4	Very high	16 Å²	16	30.1 Å²	30.1	7%	0.07	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	119.8	176	-53.6	-74.2	0	0	0	109.9	I24 V31 L110 F127 I146 H147 L148 F190 Y192	I24-F26 HydrophobicContact CG2-CE1 4.12Å; I24-F26 HydrophobicContact CG2-CE2 4.29Å; I24-F26 HydrophobicContact CG2-CZ 3.8Å; F26-V31 HydrophobicContact CD1-CG1 4.18Å; F26-V31 HydrophobicContact CD1-CG2 3.93Å; F26-V31 HydrophobicContact CE1-CG1 4Å; F26-V31 HydrophobicContact CE1-CG2 4.09Å; F26-L110 HydrophobicContact CD1-CD1 4.12Å; F26-L110 HydrophobicContact CD1-CD2 3.7Å; F26-L110 HydrophobicContact CD1-CG 4.43Å; F26-L110 HydrophobicContact CE1-CD2 3.79Å; F26-F127 HydrophobicContact CE1-CB 4.1Å; F26-F127 HydrophobicContact CE1-CD1 4.23Å; F26-F127 AromaticContact CE1-CD2 3.63Å; F26-F127 HydrophobicContact CE1-CD2 3.63Å; F26-F127 HydrophobicContact CE1-CE2 4.02Å; F26-F127 AromaticContact CE1-CG 3.72Å; F26-F127 HydrophobicContact CE1-CG 3.72Å; F26-F127 HydrophobicContact CE1-CZ 4.49Å; F26-F127 HydrophobicContact CZ-CB 4.24Å; F26-F127 AromaticContact CZ-CD1 3.96Å; F26-F127 HydrophobicContact CZ-CD1 3.96Å; F26-F127 HydrophobicContact CZ-CD2 4.2Å; F26-F127 HydrophobicContact CZ-CE1 4.34Å; F26-F127 AromaticContact CZ-CG 3.87Å; F26-F127 HydrophobicContact CZ-CG 3.87Å; F26-I146 HydrophobicContact CE2-CG2 3.65Å; F26-I146 HydrophobicContact CZ-CG2 4.17Å; F26-H147 WeakPolarHBondContact CD2-O 3.44Å; F26-L148 HydrophobicContact CD2-CD2 4.13Å; F26-L148 HydrophobicContact CE2-CD2 3.72Å; F26-F190 HydrophobicContact CD1-CZ 4.22Å; F26-F190 HydrophobicContact CD2-CE2 4.45Å; F26-F190 AromaticContact CD2-CZ 3.89Å; F26-F190 HydrophobicContact CD2-CZ 3.89Å; F26-F190 HydrophobicContact CE1-CZ 4.27Å; F26-F190 HydrophobicContact CE2-CE1 4.21Å; F26-F190 AromaticContact CE2-CZ 3.95Å; F26-F190 HydrophobicContact CE2-CZ 3.95Å; F26-F190 HydrophobicContact CG-CZ 4.03Å; F26-F190 HydrophobicContact CZ-CE1 4.22Å; F26-F190 HydrophobicContact CZ-CZ 4.13Å; F26-Y192 PolarHBondContact O-OH 2.89Å
27	K	89.6	Confident	93.5	Very high	83 Å²	83	26.2 Å²	26.2	36%	0.361	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	99.4	-178.6	-67.8	-168.1	178.9	-177.3	0	110.3	I30 K32 Y192 N333	K27-I30 HydrophobicContact CB-CG1 4.43Å; K27-I30 PolarHBondContact N-O 3.27Å; K27-I30 WeakPolarHBondContact O-CG1 3.33Å; K27-I30 PolarHBondContact O-N 3.42Å; K27-K32 HydrophobicContact CD-CD 4.3Å; K27-Y192 PolarHBondContact N-OH 2.76Å; K27-N333 HydrophobicContact CB-CB 4.33Å; K27-N333 WeakPolarHBondContact CD-OD1 3.4Å
28	G	85.8	Confident	93.6	Very high	10 Å²	10	27.4 Å²	27.4	10%	0.103	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	-133.3	-174.7	0	0	0	0	0	110.4	I30 Y192	G28-I30 VanDerWaalsContact C-N 3.31Å; G28-Y192 PolarHBondContact N-OH 3.34Å; G28-Y192 VanDerWaalsContact O-CE1 3.24Å; G28-Y192 WeakPolarHBondContact O-CE1 3.28Å; G28-Y192 PolarHBondContact O-OH 3.3Å
29	S	88.6	Confident	93.6	Very high	7 Å²	7	25.7 Å²	25.7	5%	0.049	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.1	176	49.8	0	0	0	0	114	L197	S29-L197 PolarHBondContact OG-O 2.81Å
30	I	93.5	Very high	93.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	150	-174.3	64.6	169.5	0	0	0	113	K27 G28 K32 V105 L106 T107 N333 F335 V388	K27-I30 HydrophobicContact CB-CG1 4.43Å; K27-I30 PolarHBondContact N-O 3.27Å; K27-I30 WeakPolarHBondContact O-CG1 3.33Å; K27-I30 PolarHBondContact O-N 3.42Å; G28-I30 VanDerWaalsContact C-N 3.31Å; I30-K32 VanDerWaalsContact CD1-CE 3.4Å; I30-K32 HydrophobicContact CD1-CG 4.44Å; I30-V105 HydrophobicContact CB-CG1 4.16Å; I30-V105 HydrophobicContact CD1-CG1 3.84Å; I30-V105 HydrophobicContact CG1-CG1 4.49Å; I30-L106 WeakPolarHBondContact CA-O 3.46Å; I30-T107 HydrophobicContact CG2-CG2 3.88Å; I30-N333 HydrophobicContact CD1-CB 4.11Å; I30-N333 HydrophobicContact CG1-CB 4.37Å; I30-F335 HydrophobicContact CG2-CB 3.97Å; I30-F335 HydrophobicContact CG2-CG 4.44Å; I30-V388 HydrophobicContact CG2-CG1 4.35Å
31	V	94.6	Very high	93.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	117	176.1	-172.5	0	0	0	0	108.6	I24 F26 I33 L106 L109 L110 F127	I24-V31 HydrophobicContact CG2-CG1 3.71Å; F26-V31 HydrophobicContact CD1-CG1 4.18Å; F26-V31 HydrophobicContact CD1-CG2 3.93Å; F26-V31 HydrophobicContact CE1-CG1 4Å; F26-V31 HydrophobicContact CE1-CG2 4.09Å; V31-I33 HydrophobicContact CG1-CG1 4.13Å; V31-L106 HydrophobicContact CB-CB 4.37Å; V31-L106 PolarHBondContact N-O 3.46Å; V31-L106 PolarHBondContact O-N 3.17Å; V31-L109 HydrophobicContact CG2-CB 4.22Å; V31-L109 HydrophobicContact CG2-CD2 4.46Å; V31-L110 HydrophobicContact CG2-CD1 4.26Å; V31-L110 HydrophobicContact CG2-CD2 4.09Å; V31-L110 HydrophobicContact CG2-CG 3.9Å; V31-F127 HydrophobicContact CG1-CE2 4Å; V31-F127 HydrophobicContact CG1-CZ 4.5Å; V31-F127 HydrophobicContact CG2-CD2 4.37Å; V31-F127 HydrophobicContact CG2-CE2 4.22Å
32	K	95.1	Very high	92.7	Very high	33 Å²	33	25.9 Å²	25.9	14%	0.143	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124.2	175	-59.4	-162.6	177.5	-168.4	0	109.2	R25 K27 I30 Y104 V105 E390	R25-K32 PolarHBondContact N-O 2.82Å; R25-K32 PolarHBondContact O-N 3.02Å; K27-K32 HydrophobicContact CD-CD 4.3Å; I30-K32 VanDerWaalsContact CD1-CE 3.4Å; I30-K32 HydrophobicContact CD1-CG 4.44Å; K32-Y104 WeakPolarHBondContact CA-O 3.41Å; K32-V105 HydrophobicContact CD-CG2 4.39Å; K32-V105 HydrophobicContact CG-CG1 4.4Å; K32-V105 HydrophobicContact CG-CG2 4.23Å; K32-E390 WeakPolarHBondContact CE-OE1 3.49Å; K32-E390 IonicContact NZ-OE1 2.72Å; K32-E390 PolarHBondContact NZ-OE1 3.12Å; K32-E390 IonicContact NZ-OE2 2.87Å; K32-E390 PolarHBondContact NZ-OE2 3.14Å
33	I	95	Very high	92.3	Very high	11 Å²	11	26.2 Å²	26.2	6%	0.056	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	115.8	178.4	-50.9	-177.3	0	0	0	108.6	R22 T23 I24 V31 H35 D103 Y104 L106	R22-I33 HydrophobicContact CG-CG2 3.71Å; T23-I33 WeakPolarHBondContact O-CA 3.39Å; I24-I33 HydrophobicContact CG1-CG1 4.31Å; I24-I33 HydrophobicContact CG1-CG2 4.22Å; V31-I33 HydrophobicContact CG1-CG1 4.13Å; I33-H35 WeakPolarHBondContact CG2-CE1 3.25Å; I33-D103 WeakPolarHBondContact O-CA 3.24Å; I33-Y104 HydrophobicContact CB-CD2 4.49Å; I33-Y104 PolarHBondContact N-O 2.85Å; I33-Y104 PolarHBondContact O-N 2.84Å; I33-L106 HydrophobicContact CD1-CD1 3.65Å; I33-L106 HydrophobicContact CG1-CD1 4.47Å
34	H	95.4	Very high	92	Very high	55 Å²	55	27.7 Å²	27.7	26%	0.255	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	122.5	176.5	-179	78.5	0	0	0	109.7	R22 T23 F101 D103	R22-H34 CarbonylContact C-O 3.53Å; R22-H34 WeakPolarHBondContact CA-O 3.25Å; T23-H34 PolarHBondContact N-O 2.85Å; T23-H34 PolarHBondContact O-N 3.24Å; H34-F101 AromaticContact CE1-CD1 3.88Å; H34-F101 AromaticContact NE2-CD1 3.66Å; H34-D103 WeakPolarHBondContact CB-OD1 3.28Å; H34-D103 IonicContact CE1-OD1 2.66Å; H34-D103 IonicContact CE1-OD2 3.69Å; H34-D103 IonicContact CG-OD1 3.91Å; H34-D103 VanDerWaalsContact ND1-CG 3.32Å; H34-D103 IonicContact ND1-OD1 3.9Å; H34-D103 PolarHBondContact ND1-OD1 2.74Å; H34-D103 IonicContact ND1-OD2 2.99Å; H34-D103 PolarHBondContact ND1-OD2 2.87Å
35	H	94.8	Very high	91.7	Very high	6 Å²	6	31.5 Å²	31.5	3%	0.028	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.7	174.1	-58.7	85.8	0	0	0	109.2	R22 I33 I37 F101 V102 Y104 F133	R22-H35 WeakPolarHBondContact CD-NE2 3.35Å; R22-H35 WeakPolarHBondContact CG-NE2 3.38Å; I33-H35 WeakPolarHBondContact CG2-CE1 3.25Å; H35-I37 HydrophobicContact CB-CD1 4.18Å; H35-I37 HydrophobicContact CB-CG1 4.11Å; H35-F101 CarbonylContact O-C 3.55Å; H35-F101 VanDerWaalsContact O-CA 3.25Å; H35-F101 WeakPolarHBondContact O-CA 3.1Å; H35-V102 HydrophobicContact CB-CB 4.22Å; H35-V102 PolarHBondContact N-O 2.89Å; H35-V102 PolarHBondContact ND1-O 3.41Å; H35-V102 PolarHBondContact O-N 2.69Å; H35-Y104 AromaticContact CE1-CD2 3.51Å; H35-Y104 AromaticContact CE1-CE2 3.12Å; H35-Y104 WeakPolarHBondContact CE1-CE2 3.49Å; H35-Y104 AromaticContact CE1-CZ 3.96Å; H35-Y104 AromaticContact ND1-CD2 3.93Å; H35-Y104 AromaticContact ND1-CE2 3.45Å; H35-Y104 WeakPolarHBondContact ND1-CE2 3.33Å; H35-Y104 AromaticContact ND1-CZ 3.86Å; H35-F133 AromaticContact CD2-CD2 3.34Å; H35-F133 WeakPolarHBondContact CD2-CD2 3.42Å; H35-F133 AromaticContact CD2-CE2 3.31Å; H35-F133 WeakPolarHBondContact CD2-CE2 3.48Å; H35-F133 AromaticContact CG-CE2 3.94Å; H35-F133 AromaticContact NE2-CD2 3.62Å; H35-F133 AromaticContact NE2-CE2 3.7Å
36	N	95	Very high	91.6	Very high	44 Å²	44	25.9 Å²	25.9	24%	0.235	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	110.3	165.9	176.3	-0.5	0	0	0	107.5	V20 T21 H99 F101	V20-N36 WeakPolarHBondContact CA-O 2.91Å; T21-N36 PolarHBondContact N-O 2.88Å; T21-N36 PolarHBondContact O-N 2.65Å; N36-H99 PolarHBondContact OD1-ND1 2.88Å; N36-F101 HydrophobicContact CB-CD1 3.99Å; N36-F101 HydrophobicContact CB-CE1 4.02Å; N36-F101 VanDerWaalsContact CG-CE1 3.48Å
37	I	94	Very high	91.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.9	-171.9	-55.5	166.3	0	0	0	107.8	N17 V20 H35 L39 Y46 L100 V102 F133	N17-I37 HydrophobicContact CB-CG2 4.41Å; V20-I37 HydrophobicContact CG1-CG1 4.23Å; V20-I37 HydrophobicContact CG2-CG1 4.36Å; V20-I37 HydrophobicContact CG2-CG2 4.15Å; H35-I37 HydrophobicContact CB-CD1 4.18Å; H35-I37 HydrophobicContact CB-CG1 4.11Å; I37-L39 HydrophobicContact CG2-CD2 3.56Å; I37-L39 HydrophobicContact CG2-CG 4.19Å; I37-Y46 HydrophobicContact CD1-CE1 4.25Å; I37-L100 HydrophobicContact CB-CB 4.3Å; I37-L100 HydrophobicContact CD1-CD2 4.36Å; I37-L100 PolarHBondContact N-O 2.74Å; I37-L100 PolarHBondContact O-N 3.29Å; I37-V102 HydrophobicContact CD1-CG2 4.01Å; I37-F133 HydrophobicContact CD1-CE1 3.99Å; I37-F133 HydrophobicContact CD1-CE2 4.28Å; I37-F133 HydrophobicContact CD1-CZ 3.49Å; I37-F133 VanDerWaalsContact CD1-CZ 3.49Å; I37-F133 HydrophobicContact CG1-CE1 4.41Å; I37-F133 HydrophobicContact CG1-CZ 4.23Å
38	L	94	Very high	91.8	Very high	25 Å²	25	23 Å²	23	13%	0.131	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	110.9	168.7	179.9	63.1	0	0	0	109	I18 N19 Q97	I18-L38 HydrophobicContact CB-CD2 4.18Å; I18-L38 HydrophobicContact CB-CG 4.2Å; I18-L38 HydrophobicContact CG2-CD2 4.04Å; I18-L38 PolarHBondContact N-O 2.81Å; N19-L38 HydrophobicContact CB-CB 4.14Å; N19-L38 HydrophobicContact CB-CD2 4.43Å; N19-L38 PolarHBondContact O-N 3.26Å; L38-Q97 HydrophobicContact CD1-CB 4.04Å
39	L	92.3	Very high	92.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	146	178.2	-58.6	177.7	0	0	0	110.9	N17 I37 E41 P43 Y46 L90 Q97 I98 L100	N17-L39 VanDerWaalsContact OD1-CD2 3.24Å; N17-L39 WeakPolarHBondContact OD1-CD2 3.4Å; I37-L39 HydrophobicContact CG2-CD2 3.56Å; I37-L39 HydrophobicContact CG2-CG 4.19Å; L39-E41 VanDerWaalsContact C-N 3.3Å; L39-E41 WeakPolarHBondContact CB-O 3.34Å; L39-E41 PolarHBondContact O-N 3.33Å; L39-P43 HydrophobicContact CD1-CG 4.43Å; L39-Y46 HydrophobicContact CD1-CD2 4Å; L39-Y46 HydrophobicContact CD1-CE2 4.37Å; L39-Y46 HydrophobicContact CD1-CG 4.37Å; L39-Y46 HydrophobicContact CD2-CD2 3.91Å; L39-Y46 HydrophobicContact CD2-CE2 3.44Å; L39-Y46 VanDerWaalsContact CD2-CE2 3.44Å; L39-L90 HydrophobicContact CD1-CD1 4Å; L39-Q97 WeakPolarHBondContact O-CA 3.43Å; L39-Q97 WeakPolarHBondContact O-CB 3.46Å; L39-I98 HydrophobicContact CB-CG2 4.04Å; L39-I98 HydrophobicContact CD1-CG2 3.93Å; L39-I98 HydrophobicContact CG-CG2 4.35Å; L39-I98 PolarHBondContact N-O 3.26Å; L39-L100 HydrophobicContact CD1-CB 4.42Å; L39-L100 HydrophobicContact CD1-CD2 4.29Å
40	S	90.8	Very high	92.3	Very high	24 Å²	24	23.6 Å²	23.6	17%	0.168	13%	0.127	C	C	.	.	S	Bend	trans	-65.8	-33.6	177.7	55.5	0	0	0	0	114.3	K16	K16-S40 WeakPolarHBondContact CG-OG 3.34Å; K16-S40 PolarHBondContact N-OG 3.07Å; K16-S40 PolarHBondContact O-N 3.15Å; K16-S40 PolarHBondContact O-OG 3.49Å
41	E	88.6	Confident	92.1	Very high	69 Å²	69	24.3 Å²	24.3	32%	0.322	13%	0.13	S	C	.	.	S	Bend	trans	-144.7	161.9	177.9	55.4	-174.6	-176.3	0	0	107.2	L15 L39 P43 Q96	L15-E41 HydrophobicContact CD1-CG 3.58Å; L39-E41 VanDerWaalsContact C-N 3.3Å; L39-E41 WeakPolarHBondContact CB-O 3.34Å; L39-E41 PolarHBondContact O-N 3.33Å; E41-P43 WeakPolarHBondContact O-CD 3.43Å; E41-Q96 CarbonylContact C-O 3.49Å; E41-Q96 WeakPolarHBondContact CA-O 3.47Å
42	T	86.5	Confident	91.8	Very high	14 Å²	14	30.9 Å²	30.9	9%	0.086	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-89.3	101.9	174.9	-53.8	0	0	0	0	107.7	L90 P93 S94 Q96 I98	T42-L90 HydrophobicContact CG2-CB 4.3Å; T42-P93 CarbonylContact O-C 3.6Å; T42-P93 WeakPolarHBondContact O-CA 3.4Å; T42-S94 PolarHBondContact N-O 3.17Å; T42-S94 PolarHBondContact O-N 2.92Å; T42-Q96 PolarHBondContact N-O 2.97Å; T42-Q96 VanDerWaalsContact N-O 3.1Å; T42-Q96 PolarHBondContact OG1-O 3.22Å; T42-I98 HydrophobicContact CG2-CD1 4.03Å; T42-I98 HydrophobicContact CG2-CG2 4.15Å; T42-I98 WeakPolarHBondContact OG1-CB 3.37Å; T42-I98 WeakPolarHBondContact OG1-CG2 3.36Å
43	P	87.7	Confident	91.5	Very high	20 Å²	20	33.4 Å²	33.4	13%	0.13	17%	0.169	C	C	.	.			trans	-72.1	162.4	173.5	34.4	-37.6	0	0	0	109.6	L15 L39 E41 E45 Y46 L90	L15-P43 HydrophobicContact CD1-CB 4.33Å; L15-P43 HydrophobicContact CD1-CG 4.07Å; L15-P43 HydrophobicContact CD2-CB 4.25Å; L15-P43 HydrophobicContact CD2-CG 3.83Å; L39-P43 HydrophobicContact CD1-CG 4.43Å; E41-P43 WeakPolarHBondContact O-CD 3.43Å; P43-E45 VanDerWaalsContact C-N 3.32Å; P43-Y46 HydrophobicContact CG-CD2 4.46Å; P43-L90 HydrophobicContact CG-CD1 3.97Å; P43-L90 WeakPolarHBondContact O-CB 3.43Å
44	A	87.9	Confident	91.2	Very high	46 Å²	46	33.7 Å²	33.7	38%	0.38	17%	0.171	S	C	.	.	S	Bend	trans	-65.4	-41.5	170.6	0	0	0	0	0	111	L90 G91	A44-L90 PolarHBondContact O-N 3.37Å; A44-G91 WeakPolarHBondContact CA-O 3.18Å
45	E	90.5	Very high	90.9	Very high	81 Å²	81	35 Å²	35	38%	0.379	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	133.1	178.7	-171.3	-166.9	139.5	0	0	110.3	P43 K79 S87 L88	P43-E45 VanDerWaalsContact C-N 3.32Å; E45-K79 IonicContact OE1-NZ 3.99Å; E45-K79 PolarHBondContact OE1-NZ 2.79Å; E45-K79 IonicContact OE2-NZ 2.99Å; E45-S87 WeakPolarHBondContact OE1-CB 3.19Å; E45-S87 PolarHBondContact OE1-OG 3.03Å; E45-L88 CarbonylContact C-O 3.57Å; E45-L88 VanDerWaalsContact CA-O 3.31Å; E45-L88 WeakPolarHBondContact CA-O 3.14Å
46	Y	91.8	Very high	90.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.3	172	-175.2	-101.7	0	0	0	110.7	L15 N17 I37 L39 P43 I48 L88 L100 Y137	L15-Y46 HydrophobicContact CD2-CD2 3.54Å; L15-Y46 HydrophobicContact CD2-CE2 3.8Å; N17-Y46 PolarHBondContact ND2-OH 3.08Å; N17-Y46 PolarHBondContact OD1-OH 3.47Å; I37-Y46 HydrophobicContact CD1-CE1 4.25Å; L39-Y46 HydrophobicContact CD1-CD2 4Å; L39-Y46 HydrophobicContact CD1-CE2 4.37Å; L39-Y46 HydrophobicContact CD1-CG 4.37Å; L39-Y46 HydrophobicContact CD2-CD2 3.91Å; L39-Y46 HydrophobicContact CD2-CE2 3.44Å; L39-Y46 VanDerWaalsContact CD2-CE2 3.44Å; P43-Y46 HydrophobicContact CG-CD2 4.46Å; Y46-I48 HydrophobicContact CD1-CD1 4.33Å; Y46-I48 HydrophobicContact CD1-CG1 3.86Å; Y46-I48 HydrophobicContact CE1-CD1 4.19Å; Y46-I48 HydrophobicContact CE1-CG1 3.64Å; Y46-L88 HydrophobicContact CD1-CD1 3.93Å; Y46-L88 PolarHBondContact N-O 3.09Å; Y46-L88 WeakPolarHBondContact O-CB 3.49Å; Y46-L88 PolarHBondContact O-N 3.27Å; Y46-L100 HydrophobicContact CD1-CD2 3.35Å; Y46-L100 HydrophobicContact CE1-CD2 3.7Å; Y46-L100 HydrophobicContact CG-CD2 3.93Å; Y46-Y137 HydrophobicContact CD2-CD2 4.21Å; Y46-Y137 AromaticContact CD2-CE2 3.57Å; Y46-Y137 HydrophobicContact CD2-CE2 3.57Å; Y46-Y137 HydrophobicContact CE1-CE2 4.4Å; Y46-Y137 AromaticContact CE2-CD2 3.36Å; Y46-Y137 HydrophobicContact CE2-CD2 3.36Å; Y46-Y137 AromaticContact CE2-CE2 3.16Å; Y46-Y137 HydrophobicContact CE2-CE2 3.16Å; Y46-Y137 HydrophobicContact CE2-CG 4.32Å; Y46-Y137 HydrophobicContact CG-CE2 4.34Å; Y46-Y137 AromaticContact CZ-CD2 3.69Å; Y46-Y137 AromaticContact CZ-CE2 3.64Å
47	Q	93	Very high	90.6	Very high	36 Å²	36	43.3 Å²	43.3	17%	0.168	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	134.1	-178.7	-68.6	169.1	40.2	0	0	112	K79 T85 Y86 P136 Y137	Q47-K79 VanDerWaalsContact CD-NZ 3.32Å; Q47-K79 HydrophobicContact CG-CD 4.22Å; Q47-T85 HydrophobicContact CB-CG2 4.15Å; Q47-T85 HydrophobicContact CG-CG2 4.37Å; Q47-Y86 WeakPolarHBondContact CA-O 3.48Å; Q47-P136 HydrophobicContact CB-CG 4.26Å; Q47-Y137 HydrophobicContact CB-CE2 4.37Å; Q47-Y137 PolarHBondContact N-OH 2.85Å; Q47-Y137 VanDerWaalsContact N-OH 3.11Å; Q47-Y137 WeakPolarHBondContact O-CE2 3.43Å
48	I	92.7	Very high	90.6	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.015	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.1	175.2	-74.2	-174.9	0	0	0	108.5	Y46 I61 T85 Y86 L88 V102 Y104	Y46-I48 HydrophobicContact CD1-CD1 4.33Å; Y46-I48 HydrophobicContact CD1-CG1 3.86Å; Y46-I48 HydrophobicContact CE1-CD1 4.19Å; Y46-I48 HydrophobicContact CE1-CG1 3.64Å; I48-I61 HydrophobicContact CG2-CD1 4.37Å; I48-T85 CarbonylContact O-C 3.57Å; I48-T85 VanDerWaalsContact O-CA 3.3Å; I48-T85 WeakPolarHBondContact O-CA 3.2Å; I48-Y86 PolarHBondContact N-O 3.03Å; I48-Y86 PolarHBondContact O-N 3.34Å; I48-L88 HydrophobicContact CD1-CD1 3.25Å; I48-L88 HydrophobicContact CD1-CG 4.36Å; I48-L88 HydrophobicContact CG1-CD1 3.82Å; I48-V102 HydrophobicContact CD1-CB 3.94Å; I48-V102 HydrophobicContact CD1-CG1 3.47Å; I48-V102 VanDerWaalsContact CD1-CG1 3.47Å; I48-V102 HydrophobicContact CD1-CG2 3.41Å; I48-V102 VanDerWaalsContact CD1-CG2 3.41Å; I48-Y104 HydrophobicContact CG2-CE1 4.16Å; I48-Y104 WeakPolarHBondContact CG2-OH 2.94Å
49	V	92.8	Very high	90.5	Very high	18 Å²	18	43.9 Å²	43.9	11%	0.109	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.2	179.1	-172.2	0	0	0	0	108.1	T85 Y134 P136 F181	V49-T85 HydrophobicContact CG2-CG2 4.06Å; V49-Y134 HydrophobicContact CB-CD1 4.25Å; V49-Y134 HydrophobicContact CB-CE1 4.2Å; V49-Y134 HydrophobicContact CG1-CD1 4.13Å; V49-Y134 HydrophobicContact CG1-CE1 3.64Å; V49-P136 HydrophobicContact CG2-CG 4.17Å; V49-F181 HydrophobicContact CB-CE1 4.34Å; V49-F181 HydrophobicContact CG1-CE1 4.29Å; V49-F181 HydrophobicContact CG2-CE1 4.07Å
50	I	92.1	Very high	90.6	Very high	10 Å²	10	46.1 Å²	46.1	5%	0.051	22%	0.223	C	C	.	.			trans	-92.1	137.6	173.5	-59.6	179.8	0	0	0	107.6	E52 D54 W55 L58 I61 Y84 Y86	I50-E52 PolarHBondContact O-N 3.03Å; I50-D54 HydrophobicContact CG2-CB 4.26Å; I50-W55 HydrophobicContact CB-CE3 4.16Å; I50-W55 HydrophobicContact CD1-CE3 4.18Å; I50-W55 HydrophobicContact CD1-CZ3 4.27Å; I50-W55 HydrophobicContact CG2-CB 4.43Å; I50-W55 HydrophobicContact CG2-CE3 4.4Å; I50-L58 HydrophobicContact CD1-CD1 3.85Å; I50-L58 HydrophobicContact CD1-CD2 3.26Å; I50-L58 HydrophobicContact CD1-CG 4.05Å; I50-I61 HydrophobicContact CD1-CD1 4.44Å; I50-Y84 PolarHBondContact N-O 2.95Å; I50-Y84 WeakPolarHBondContact O-CB 3.43Å; I50-Y86 HydrophobicContact CD1-CD2 3.87Å; I50-Y86 HydrophobicContact CD1-CE2 3.56Å; I50-Y86 HydrophobicContact CG1-CD2 4.39Å; I50-Y86 HydrophobicContact CG1-CE2 4.47Å
51	E	90.6	Very high	90.7	Very high	15 Å²	15	46.2 Å²	46.2	7%	0.07	22%	0.222	C	C	.	.			trans	-61.5	138.9	177.5	-65.8	178	-154.2	0	0	110.4	R53 D54 W55 N130 Y134 M183	E51-R53 HydrophobicContact CB-CG 3.69Å; E51-R53 PolarHBondContact O-N 3.35Å; E51-R53 VanDerWaalsContact O-N 3.08Å; E51-R53 WeakPolarHBondContact OE2-CD 3.4Å; E51-R53 IonicContact OE2-NE 3.07Å; E51-D54 PolarHBondContact O-N 3.33Å; E51-W55 PolarHBondContact O-N 3.1Å; E51-N130 WeakPolarHBondContact OE1-CB 3.31Å; E51-N130 PolarHBondContact OE1-ND2 2.83Å; E51-Y134 HydrophobicContact CG-CD1 3.56Å; E51-Y134 HydrophobicContact CG-CD2 4.2Å; E51-Y134 HydrophobicContact CG-CE1 4.12Å; E51-Y134 HydrophobicContact CG-CG 3.6Å; E51-Y134 WeakPolarHBondContact OE1-CB 3.42Å; E51-M183 WeakPolarHBondContact OE2-CE 3.34Å
52	E	87.8	Confident	90.9	Very high	139 Å²	139	43.6 Å²	43.6	65%	0.65	21%	0.213	S	C	*	.	H	α-helix	trans	-52.2	-38.3	-177.8	-177.2	-178.3	174.8	0	0	112.4	I50 D54 Y84	I50-E52 PolarHBondContact O-N 3.03Å; E52-D54 PolarHBondContact O-N 2.93Å; E52-Y84 HydrophobicContact CB-CE2 4.39Å; E52-Y84 HydrophobicContact CG-CE2 4.15Å
53	R	88.2	Confident	91.3	Very high	86 Å²	86	43.3 Å²	43.3	33%	0.325	21%	0.212	S	C	.	.	H	α-helix	trans	-60.9	-38	175.8	44	165.1	-74.9	175.7	-0.6	113.9	E51 H57 S128 G129	E51-R53 HydrophobicContact CB-CG 3.69Å; E51-R53 PolarHBondContact O-N 3.35Å; E51-R53 VanDerWaalsContact O-N 3.08Å; E51-R53 WeakPolarHBondContact OE2-CD 3.4Å; E51-R53 IonicContact OE2-NE 3.07Å; R53-H57 PolarHBondContact O-CD2 3.32Å; R53-S128 PolarHBondContact NH2-O 2.81Å; R53-G129 VanDerWaalsContact NH1-N 3.15Å; R53-G129 PolarHBondContact NH1-O 3.48Å; R53-G129 VanDerWaalsContact NH1-O 3.13Å; R53-G129 VanDerWaalsContact NH2-CA 3.3Å
54	D	89.9	Confident	91.5	Very high	16 Å²	16	43.2 Å²	43.2	9%	0.086	21%	0.212	C	C	.	.	H	α-helix	trans	-94.7	-15.8	-174.6	-63.9	-12	0	0	0	111.6	I50 E51 E52 K56 H57 L58 L106	I50-D54 HydrophobicContact CG2-CB 4.26Å; E51-D54 PolarHBondContact O-N 3.33Å; E52-D54 PolarHBondContact O-N 2.93Å; D54-K56 VanDerWaalsContact C-N 3.34Å; D54-K56 PolarHBondContact O-N 2.83Å; D54-H57 CarbonylContact O-C 3.46Å; D54-H57 WeakPolarHBondContact O-CA 3.25Å; D54-H57 WeakPolarHBondContact O-CB 3.44Å; D54-H57 PolarHBondContact O-N 3.02Å; D54-L58 PolarHBondContact O-N 2.7Å; D54-L106 HydrophobicContact CB-CD1 4.21Å; D54-L106 HydrophobicContact CB-CD2 4.42Å
55	W	88.6	Confident	91.6	Very high	83 Å²	83	41.6 Å²	41.6	31%	0.314	20%	0.198	S	C	.	.	H	α-helix	trans	-54.7	-45.2	-178.4	173.9	-102.8	0	0	0	113.7	I50 E51 H57 L58 Y84 Y86	I50-W55 HydrophobicContact CB-CE3 4.16Å; I50-W55 HydrophobicContact CD1-CE3 4.18Å; I50-W55 HydrophobicContact CD1-CZ3 4.27Å; I50-W55 HydrophobicContact CG2-CB 4.43Å; I50-W55 HydrophobicContact CG2-CE3 4.4Å; E51-W55 PolarHBondContact O-N 3.1Å; W55-H57 PolarHBondContact O-N 3.13Å; W55-L58 HydrophobicContact CZ3-CD2 4.44Å; W55-L58 WeakPolarHBondContact O-CB 3.42Å; W55-L58 PolarHBondContact O-N 2.85Å; W55-Y84 HydrophobicContact CB-CD1 3.64Å; W55-Y84 HydrophobicContact CB-CE1 3.96Å; W55-Y84 AromaticContact CD1-CD1 3.67Å; W55-Y84 AromaticContact CD1-CE1 3.49Å; W55-Y84 VanDerWaalsContact CD1-CE1 3.49Å; W55-Y84 AromaticContact CD2-CD1 3.44Å; W55-Y84 HydrophobicContact CD2-CD1 3.44Å; W55-Y84 VanDerWaalsContact CD2-CD1 3.44Å; W55-Y84 HydrophobicContact CD2-CE1 4.08Å; W55-Y84 HydrophobicContact CD2-CG 4.48Å; W55-Y84 AromaticContact CE2-CD1 3.89Å; W55-Y84 AromaticContact CE3-CD1 3.87Å; W55-Y84 HydrophobicContact CE3-CD1 3.87Å; W55-Y84 AromaticContact CG-CD1 3.27Å; W55-Y84 HydrophobicContact CG-CD1 3.27Å; W55-Y84 AromaticContact CG-CE1 3.56Å; W55-Y84 HydrophobicContact CG-CE1 3.56Å; W55-Y84 HydrophobicContact CG-CG 4.47Å; W55-Y84 AromaticContact NE1-CE1 3.93Å; W55-Y86 HydrophobicContact CE3-CE2 4.33Å; W55-Y86 AromaticContact CH2-CE2 3.81Å; W55-Y86 HydrophobicContact CH2-CE2 3.81Å; W55-Y86 AromaticContact CH2-CZ 3.76Å; W55-Y86 WeakPolarHBondContact CH2-OH 3.37Å; W55-Y86 HydrophobicContact CZ3-CD2 4.2Å; W55-Y86 AromaticContact CZ3-CE2 3.29Å; W55-Y86 HydrophobicContact CZ3-CE2 3.29Å; W55-Y86 AromaticContact CZ3-CZ 3.74Å
56	K	89.7	Confident	91.3	Very high	179 Å²	179	39 Å²	39	78%	0.778	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-21	-179.7	-64.4	-176.7	-177.8	176.7	0	112.9	D54	D54-K56 VanDerWaalsContact C-N 3.34Å; D54-K56 PolarHBondContact O-N 2.83Å
57	H	93.1	Very high	90.7	Very high	46 Å²	46	44.8 Å²	44.8	21%	0.213	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-6.1	-177.6	-65.8	-65.9	0	0	0	112.3	R53 D54 W55 A59 L106 T107	R53-H57 PolarHBondContact O-CD2 3.32Å; D54-H57 CarbonylContact O-C 3.46Å; D54-H57 WeakPolarHBondContact O-CA 3.25Å; D54-H57 WeakPolarHBondContact O-CB 3.44Å; D54-H57 PolarHBondContact O-N 3.02Å; W55-H57 PolarHBondContact O-N 3.13Å; H57-A59 PolarHBondContact O-N 3.44Å; H57-L106 CarbonylContact O-C 3.51Å; H57-L106 VanDerWaalsContact O-CA 3.29Å; H57-L106 WeakPolarHBondContact O-CA 3.49Å; H57-T107 WeakPolarHBondContact CB-O 3.44Å; H57-T107 VanDerWaalsContact CG-O 3.3Å; H57-T107 PolarHBondContact ND1-O 3.28Å; H57-T107 PolarHBondContact O-N 2.93Å; H57-T107 PolarHBondContact O-OG1 3.37Å
58	L	93.6	Very high	89.8	Confident	20 Å²	20	46.8 Å²	46.8	11%	0.105	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	114.2	-179.6	-175.3	74.9	0	0	0	111.1	I50 D54 W55 F60 I61 Y86 Y104 L106 N386	I50-L58 HydrophobicContact CD1-CD1 3.85Å; I50-L58 HydrophobicContact CD1-CD2 3.26Å; I50-L58 HydrophobicContact CD1-CG 4.05Å; D54-L58 PolarHBondContact O-N 2.7Å; W55-L58 HydrophobicContact CZ3-CD2 4.44Å; W55-L58 WeakPolarHBondContact O-CB 3.42Å; W55-L58 PolarHBondContact O-N 2.85Å; L58-F60 WeakPolarHBondContact CD1-O 3.31Å; L58-I61 HydrophobicContact CD2-CB 4.5Å; L58-I61 HydrophobicContact CD2-CG2 4.44Å; L58-Y86 HydrophobicContact CD2-CE2 3.74Å; L58-Y86 WeakPolarHBondContact CD2-OH 3.37Å; L58-Y104 HydrophobicContact CD1-CG 4.48Å; L58-L106 HydrophobicContact CB-CD2 4.19Å; L58-L106 HydrophobicContact CD1-CD2 3.84Å; L58-N386 PolarHBondContact O-ND2 3.38Å
59	A	93.3	Very high	89	Confident	16 Å²	16	56.5 Å²	56.5	13%	0.132	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-51.5	171.5	0	0	0	0	0	111.1	H57 V105 T107 N386 V388 H391	H57-A59 PolarHBondContact O-N 3.44Å; A59-V105 PolarHBondContact N-O 2.88Å; A59-T107 HydrophobicContact CB-CG2 3.69Å; A59-N386 VanDerWaalsContact CA-ND2 3.33Å; A59-N386 WeakPolarHBondContact CA-ND2 3.37Å; A59-N386 VanDerWaalsContact CB-O 3.24Å; A59-N386 WeakPolarHBondContact CB-O 3.3Å; A59-N386 PolarHBondContact N-ND2 3Å; A59-V388 HydrophobicContact CB-CG1 3.7Å; A59-V388 HydrophobicContact CB-CG2 4.1Å; A59-H391 PolarHBondContact O-CE1 3.49Å; A59-H391 PolarHBondContact O-NE2 3.47Å
60	F	92.9	Very high	88.3	Confident	48 Å²	48	59.8 Å²	59.8	21%	0.211	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	141.6	-173.1	-179.4	-98.1	0	0	0	111.5	L58 Y104 V105 V388 E390	L58-F60 WeakPolarHBondContact CD1-O 3.31Å; F60-Y104 WeakPolarHBondContact O-CA 3.34Å; F60-V105 HydrophobicContact CB-CB 4.15Å; F60-V105 HydrophobicContact CB-CG2 4.18Å; F60-V105 HydrophobicContact CD1-CG2 4.39Å; F60-V105 PolarHBondContact N-O 3.43Å; F60-V105 PolarHBondContact O-N 3.21Å; F60-V388 HydrophobicContact CB-CG2 4.02Å; F60-E390 HydrophobicContact CB-CB 4.33Å; F60-E390 HydrophobicContact CD1-CB 3.83Å; F60-E390 HydrophobicContact CD1-CG 3.91Å; F60-E390 HydrophobicContact CD2-CB 3.89Å; F60-E390 HydrophobicContact CE1-CB 4.06Å; F60-E390 HydrophobicContact CE1-CG 4.07Å; F60-E390 HydrophobicContact CE2-CB 4.12Å; F60-E390 HydrophobicContact CG-CB 3.74Å; F60-E390 HydrophobicContact CG-CG 4.31Å; F60-E390 HydrophobicContact CZ-CB 4.2Å
61	I	93.6	Very high	87.8	Confident	25 Å²	25	62.2 Å²	62.2	13%	0.128	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.8	168.7	-179.3	166.3	0	0	0	109.6	I48 I50 L58 V76 Y86 D103 Y104	I48-I61 HydrophobicContact CG2-CD1 4.37Å; I50-I61 HydrophobicContact CD1-CD1 4.44Å; L58-I61 HydrophobicContact CD2-CB 4.5Å; L58-I61 HydrophobicContact CD2-CG2 4.44Å; I61-V76 HydrophobicContact CD1-CG1 3.98Å; I61-V76 HydrophobicContact CG1-CG1 4.04Å; I61-V76 HydrophobicContact CG2-CG1 4.15Å; I61-Y86 HydrophobicContact CD1-CD1 4.48Å; I61-Y86 HydrophobicContact CD1-CD2 3.63Å; I61-Y86 HydrophobicContact CD1-CE2 4.14Å; I61-Y86 HydrophobicContact CD1-CG 3.82Å; I61-Y86 HydrophobicContact CG2-CD1 4.26Å; I61-Y86 HydrophobicContact CG2-CE1 3.95Å; I61-Y86 HydrophobicContact CG2-CE2 4.22Å; I61-D103 WeakPolarHBondContact CA-O 3.49Å; I61-Y104 HydrophobicContact CB-CD1 4.14Å; I61-Y104 HydrophobicContact CD1-CD1 3.86Å; I61-Y104 HydrophobicContact CD1-CE1 3.43Å; I61-Y104 VanDerWaalsContact CD1-CE1 3.43Å; I61-Y104 HydrophobicContact CG1-CD1 3.67Å; I61-Y104 HydrophobicContact CG1-CE1 3.62Å
62	G	93.3	Very high	87.6	Confident	14 Å²	14	70.4 Å²	70.4	14%	0.144	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	149.8	174.5	0	0	0	0	0	110.7	V102 D103	G62-V102 WeakPolarHBondContact O-CA 3.37Å; G62-V102 WeakPolarHBondContact O-CG1 3.31Å; G62-D103 PolarHBondContact N-O 3.26Å; G62-D103 PolarHBondContact O-N 2.69Å
63	A	93.6	Very high	87.7	Confident	9 Å²	9	72.7 Å²	72.7	7%	0.074	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	151.4	175.1	0	0	0	0	0	111.7	V74 V76 L88 F101 V102	A63-V74 HydrophobicContact CB-CB 4.19Å; A63-V74 PolarHBondContact O-N 3.11Å; A63-V76 HydrophobicContact CB-CG2 3.84Å; A63-L88 HydrophobicContact CB-CD1 4.14Å; A63-L88 HydrophobicContact CB-CD2 3.22Å; A63-L88 HydrophobicContact CB-CG 4.33Å; A63-F101 CarbonylContact C-O 3.6Å; A63-F101 VanDerWaalsContact CA-O 3.24Å; A63-F101 WeakPolarHBondContact CA-O 3.46Å; A63-V102 HydrophobicContact CB-CG1 4.37Å
64	S	92.9	Very high	87.7	Confident	18 Å²	18	69.1 Å²	69.1	13%	0.126	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	152.1	175.5	61.9	0	0	0	0	111	P71 R72 F101	S64-P71 WeakPolarHBondContact OG-CB 3.36Å; S64-R72 CarbonylContact C-O 3.53Å; S64-R72 WeakPolarHBondContact CA-O 3.43Å; S64-R72 VanDerWaalsContact CB-O 3.28Å; S64-R72 WeakPolarHBondContact CB-O 3.39Å; S64-F101 PolarHBondContact N-O 2.95Å; S64-F101 PolarHBondContact O-N 2.73Å
65	C	89.7	Confident	87.6	Confident	12 Å²	12	71.7 Å²	71.7	8%	0.081	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	158.7	-177.3	68.8	0	0	0	0	112.2	R72 V74 L90 I98 H99 L100	C65-R72 PolarHBondContact N-O 2.83Å; C65-R72 PolarHBondContact O-N 3.07Å; C65-V74 HydrophobicContact CB-CG2 3.8Å; C65-V74 WeakPolarHBondContact SG-CG2 3.24Å; C65-L90 HydrophobicContact CB-CD2 4.19Å; C65-I98 HydrophobicContact CB-CD1 3.93Å; C65-I98 HydrophobicContact CB-CG1 4.38Å; C65-H99 CarbonylContact C-O 3.43Å; C65-H99 VanDerWaalsContact CA-O 3.31Å; C65-H99 WeakPolarHBondContact CA-O 3.33Å; C65-L100 HydrophobicContact CB-CD1 4.39Å
66	G	83.7	Confident	87.7	Confident	27 Å²	27	69.5 Å²	69.5	28%	0.278	37%	0.368	S	S	.	.	S	Bend	trans	104.3	-150.3	176.3	0	0	0	0	0	113.4	H99 F101	G66-H99 PolarHBondContact N-O 3Å; G66-H99 WeakPolarHBondContact O-CB 3.42Å; G66-F101 WeakPolarHBondContact O-CE2 3.34Å
67	D	79.1	Confident	87.7	Confident	120 Å²	120	67.6 Å²	67.6	64%	0.642	36%	0.36	S	S	*	.			trans	-69.7	136.6	-177.7	-77.3	-26	0	0	0	111.8	K69 S70	D67-K69 PolarHBondContact O-N 2.84Å; D67-S70 CarbonylContact O-C 3.54Å; D67-S70 VanDerWaalsContact O-C 3.3Å; D67-S70 PolarHBondContact O-N 3.44Å
68	A	74.2	Confident	87.4	Confident	78 Å²	78	70 Å²	70	65%	0.645	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-21.9	179.3	0	0	0	0	0	114	F101	A68-F101 HydrophobicContact CB-CE1 4.44Å; A68-F101 HydrophobicContact CB-CE2 4.44Å; A68-F101 HydrophobicContact CB-CZ 3.75Å
69	K	76.8	Confident	87.1	Confident	208 Å²	208	71.3 Å²	71.3	90%	0.904	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-25.3	179.3	-67.5	-176	179.4	178.3	0	113.6	D67	D67-K69 PolarHBondContact O-N 2.84Å
70	S	78.1	Confident	86.7	Confident	87 Å²	87	75.3 Å²	75.3	61%	0.608	42%	0.417	S	S	*	.	S	Bend	trans	-149.3	66.4	-177.4	58.8	0	0	0	0	110.1	D67	D67-S70 CarbonylContact O-C 3.54Å; D67-S70 VanDerWaalsContact O-C 3.3Å; D67-S70 PolarHBondContact O-N 3.44Å
71	P	81.9	Confident	86.3	Confident	60 Å²	60	77 Å²	77	39%	0.39	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-72.4	135.5	-173.9	32.4	-36.9	0	0	0	110.2	S64 F101	S64-P71 WeakPolarHBondContact OG-CB 3.36Å; P71-F101 HydrophobicContact CB-CD2 4.18Å; P71-F101 HydrophobicContact CB-CE2 4.47Å
72	R	86.4	Confident	85.8	Confident	188 Å²	188	78.8 Å²	78.8	71%	0.709	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	125.1	176.5	178.3	-178.7	174.9	-176.8	-2.1	109.3	S64 C65 V74	S64-R72 CarbonylContact C-O 3.53Å; S64-R72 WeakPolarHBondContact CA-O 3.43Å; S64-R72 VanDerWaalsContact CB-O 3.28Å; S64-R72 WeakPolarHBondContact CB-O 3.39Å; C65-R72 PolarHBondContact N-O 2.83Å; C65-R72 PolarHBondContact O-N 3.07Å; R72-V74 PolarHBondContact O-N 3.16Å
73	K	88.7	Confident	85.3	Confident	187 Å²	187	82.4 Å²	82.4	81%	0.813	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.9	133.9	174.5	-69.8	-172.2	179.6	-177.2	0	110.9
74	V	88.6	Confident	85	Confident	11 Å²	11	85.5 Å²	85.5	7%	0.067	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129.9	178.3	172.1	0	0	0	0	108	A63 C65 R72 V76 L88 D89 L90	A63-V74 HydrophobicContact CB-CB 4.19Å; A63-V74 PolarHBondContact O-N 3.11Å; C65-V74 HydrophobicContact CB-CG2 3.8Å; C65-V74 WeakPolarHBondContact SG-CG2 3.24Å; R72-V74 PolarHBondContact O-N 3.16Å; V74-V76 PolarHBondContact O-N 3.32Å; V74-L88 HydrophobicContact CG1-CB 3.97Å; V74-L88 HydrophobicContact CG1-CD2 3.86Å; V74-D89 WeakPolarHBondContact CG1-O 3.38Å; V74-L90 HydrophobicContact CG1-CD2 3.99Å; V74-L90 HydrophobicContact CG2-CD2 3.87Å
75	P	88.7	Confident	85	Confident	69 Å²	69	85.1 Å²	85.1	45%	0.448	49%	0.485	S	S	.	.			trans	-66.9	127.6	176.8	28.3	-33.4	0	0	0	109.9	D89	P75-D89 HydrophobicContact CG-CB 4.09Å
76	V	90.1	Very high	85	Confident	38 Å²	38	86.1 Å²	86.1	23%	0.23	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	125.5	177.4	-165.1	0	0	0	0	108.4	I61 A63 V74 Y86 L88	I61-V76 HydrophobicContact CD1-CG1 3.98Å; I61-V76 HydrophobicContact CG1-CG1 4.04Å; I61-V76 HydrophobicContact CG2-CG1 4.15Å; A63-V76 HydrophobicContact CB-CG2 3.84Å; V74-V76 PolarHBondContact O-N 3.32Å; V76-Y86 HydrophobicContact CG1-CD1 3.77Å; V76-Y86 HydrophobicContact CG1-CG 4.02Å; V76-L88 HydrophobicContact CB-CD2 4.05Å; V76-L88 HydrophobicContact CG1-CD2 3.92Å; V76-L88 HydrophobicContact CG2-CD2 3.55Å
77	K	88.9	Confident	85.5	Confident	139 Å²	139	85.7 Å²	85.7	60%	0.604	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.5	140	177.5	-65.8	-178.9	-177.5	175.3	0	110.8	K79 Y86 S87	K77-K79 PolarHBondContact O-N 3.12Å; K77-Y86 CarbonylContact O-C 3.58Å; K77-Y86 WeakPolarHBondContact O-CA 3.35Å; K77-S87 PolarHBondContact N-O 3.38Å; K77-S87 PolarHBondContact O-N 2.95Å
78	P	88.4	Confident	86.1	Confident	96 Å²	96	80 Å²	80	62%	0.623	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.5	133.6	170	26.6	-32.5	0	0	0	109.2	A80 Y86	P78-A80 PolarHBondContact O-N 2.84Å; P78-Y86 HydrophobicContact CB-CD1 4.33Å; P78-Y86 HydrophobicContact CB-CE1 4.12Å
79	K	87.2	Confident	86.8	Confident	48 Å²	48	80.8 Å²	80.8	21%	0.209	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-77.2	121.4	-178.2	-167.4	165.3	-171.5	136.5	0	110	E45 Q47 K77 G81 M82 T85 S87	E45-K79 IonicContact OE1-NZ 3.99Å; E45-K79 PolarHBondContact OE1-NZ 2.79Å; E45-K79 IonicContact OE2-NZ 2.99Å; Q47-K79 VanDerWaalsContact CD-NZ 3.32Å; Q47-K79 HydrophobicContact CG-CD 4.22Å; K77-K79 PolarHBondContact O-N 3.12Å; K79-G81 PolarHBondContact O-N 2.77Å; K79-M82 HydrophobicContact CB-CB 4.42Å; K79-M82 HydrophobicContact CD-SD 4.28Å; K79-M82 PolarHBondContact O-N 3Å; K79-T85 HydrophobicContact CB-CG2 4.14Å; K79-T85 WeakPolarHBondContact CB-O 3.47Å; K79-T85 HydrophobicContact CD-CG2 4.2Å; K79-T85 PolarHBondContact N-O 2.86Å; K79-S87 VanDerWaalsContact CB-OG 3.25Å; K79-S87 WeakPolarHBondContact CB-OG 3.3Å; K79-S87 WeakPolarHBondContact CD-OG 3.36Å; K79-S87 WeakPolarHBondContact CG-OG 3.37Å
80	A	84.7	Confident	87.3	Confident	100 Å²	100	71.6 Å²	71.6	83%	0.826	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	128.6	177.1	0	0	0	0	0	110.8	P78 M82	P78-A80 PolarHBondContact O-N 2.84Å; A80-M82 VanDerWaalsContact C-N 3.33Å; A80-M82 PolarHBondContact O-N 3.41Å
81	G	83.2	Confident	87.6	Confident	84 Å²	84	69.2 Å²	69.2	87%	0.866	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	-6.6	177.5	0	0	0	0	0	116.2	K79	K79-G81 PolarHBondContact O-N 2.77Å
82	M	83.3	Confident	87.7	Confident	62 Å²	62	75.5 Å²	75.5	31%	0.305	41%	0.414	S	S	.	.			trans	-119.3	106.8	173.7	-65.4	-160.3	-169.8	0	0	110.5	V9 K79 A80 T85	V9-M82 HydrophobicContact CG1-CE 4.3Å; V9-M82 HydrophobicContact CG2-CE 4.07Å; V9-M82 HydrophobicContact CG2-SD 4.44Å; K79-M82 HydrophobicContact CB-CB 4.42Å; K79-M82 HydrophobicContact CD-SD 4.28Å; K79-M82 PolarHBondContact O-N 3Å; A80-M82 VanDerWaalsContact C-N 3.33Å; A80-M82 PolarHBondContact O-N 3.41Å; M82-T85 HydrophobicContact CB-CG2 4.47Å
83	P	83.2	Confident	87.7	Confident	90 Å²	90	71.2 Å²	71.2	58%	0.584	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	151.3	174.4	28.9	-33.9	0	0	0	109.6	T85	P83-T85 PolarHBondContact O-N 2.86Å; P83-T85 PolarHBondContact O-OG1 2.89Å
84	Y	88.5	Confident	87.6	Confident	74 Å²	74	64.4 Å²	64.4	29%	0.29	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	3	176.5	-35.8	-56.9	0	0	0	116.2	I50 E52 W55	I50-Y84 PolarHBondContact N-O 2.95Å; I50-Y84 WeakPolarHBondContact O-CB 3.43Å; E52-Y84 HydrophobicContact CB-CE2 4.39Å; E52-Y84 HydrophobicContact CG-CE2 4.15Å; W55-Y84 HydrophobicContact CB-CD1 3.64Å; W55-Y84 HydrophobicContact CB-CE1 3.96Å; W55-Y84 AromaticContact CD1-CD1 3.67Å; W55-Y84 AromaticContact CD1-CE1 3.49Å; W55-Y84 VanDerWaalsContact CD1-CE1 3.49Å; W55-Y84 AromaticContact CD2-CD1 3.44Å; W55-Y84 HydrophobicContact CD2-CD1 3.44Å; W55-Y84 VanDerWaalsContact CD2-CD1 3.44Å; W55-Y84 HydrophobicContact CD2-CE1 4.08Å; W55-Y84 HydrophobicContact CD2-CG 4.48Å; W55-Y84 AromaticContact CE2-CD1 3.89Å; W55-Y84 AromaticContact CE3-CD1 3.87Å; W55-Y84 HydrophobicContact CE3-CD1 3.87Å; W55-Y84 AromaticContact CG-CD1 3.27Å; W55-Y84 HydrophobicContact CG-CD1 3.27Å; W55-Y84 AromaticContact CG-CE1 3.56Å; W55-Y84 HydrophobicContact CG-CE1 3.56Å; W55-Y84 HydrophobicContact CG-CG 4.47Å; W55-Y84 AromaticContact NE1-CE1 3.93Å
85	T	91.1	Very high	87.4	Confident	10 Å²	10	69.8 Å²	69.8	6%	0.061	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	127.9	-174.9	-53.8	0	0	0	0	110.9	Q47 I48 V49 K79 M82 P83	Q47-T85 HydrophobicContact CB-CG2 4.15Å; Q47-T85 HydrophobicContact CG-CG2 4.37Å; I48-T85 CarbonylContact O-C 3.57Å; I48-T85 VanDerWaalsContact O-CA 3.3Å; I48-T85 WeakPolarHBondContact O-CA 3.2Å; V49-T85 HydrophobicContact CG2-CG2 4.06Å; K79-T85 HydrophobicContact CB-CG2 4.14Å; K79-T85 WeakPolarHBondContact CB-O 3.47Å; K79-T85 HydrophobicContact CD-CG2 4.2Å; K79-T85 PolarHBondContact N-O 2.86Å; M82-T85 HydrophobicContact CB-CG2 4.47Å; P83-T85 PolarHBondContact O-N 2.86Å; P83-T85 PolarHBondContact O-OG1 2.89Å
86	Y	91.4	Very high	87.3	Confident	33 Å²	33	73.2 Å²	73.2	13%	0.129	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	136.8	172.3	-71.4	-85.7	0	0	0	110.5	Q47 I48 I50 W55 L58 I61 V76 K77 P78	Q47-Y86 WeakPolarHBondContact CA-O 3.48Å; I48-Y86 PolarHBondContact N-O 3.03Å; I48-Y86 PolarHBondContact O-N 3.34Å; I50-Y86 HydrophobicContact CD1-CD2 3.87Å; I50-Y86 HydrophobicContact CD1-CE2 3.56Å; I50-Y86 HydrophobicContact CG1-CD2 4.39Å; I50-Y86 HydrophobicContact CG1-CE2 4.47Å; W55-Y86 HydrophobicContact CE3-CE2 4.33Å; W55-Y86 AromaticContact CH2-CE2 3.81Å; W55-Y86 HydrophobicContact CH2-CE2 3.81Å; W55-Y86 AromaticContact CH2-CZ 3.76Å; W55-Y86 WeakPolarHBondContact CH2-OH 3.37Å; W55-Y86 HydrophobicContact CZ3-CD2 4.2Å; W55-Y86 AromaticContact CZ3-CE2 3.29Å; W55-Y86 HydrophobicContact CZ3-CE2 3.29Å; W55-Y86 AromaticContact CZ3-CZ 3.74Å; L58-Y86 HydrophobicContact CD2-CE2 3.74Å; L58-Y86 WeakPolarHBondContact CD2-OH 3.37Å; I61-Y86 HydrophobicContact CD1-CD1 4.48Å; I61-Y86 HydrophobicContact CD1-CD2 3.63Å; I61-Y86 HydrophobicContact CD1-CE2 4.14Å; I61-Y86 HydrophobicContact CD1-CG 3.82Å; I61-Y86 HydrophobicContact CG2-CD1 4.26Å; I61-Y86 HydrophobicContact CG2-CE1 3.95Å; I61-Y86 HydrophobicContact CG2-CE2 4.22Å; V76-Y86 HydrophobicContact CG1-CD1 3.77Å; V76-Y86 HydrophobicContact CG1-CG 4.02Å; K77-Y86 CarbonylContact O-C 3.58Å; K77-Y86 WeakPolarHBondContact O-CA 3.35Å; P78-Y86 HydrophobicContact CB-CD1 4.33Å; P78-Y86 HydrophobicContact CB-CE1 4.12Å
87	S	92.3	Very high	87.3	Confident	17 Å²	17	77.1 Å²	77.1	12%	0.119	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	133.8	174.5	-51.9	0	0	0	0	109.8	E45 K77 K79	E45-S87 WeakPolarHBondContact OE1-CB 3.19Å; E45-S87 PolarHBondContact OE1-OG 3.03Å; K77-S87 PolarHBondContact N-O 3.38Å; K77-S87 PolarHBondContact O-N 2.95Å; K79-S87 VanDerWaalsContact CB-OG 3.25Å; K79-S87 WeakPolarHBondContact CB-OG 3.3Å; K79-S87 WeakPolarHBondContact CD-OG 3.36Å; K79-S87 WeakPolarHBondContact CG-OG 3.37Å
88	L	92	Very high	87.4	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.6	179.1	-68.9	169.4	0	0	0	108.9	E45 Y46 I48 A63 V74 V76 L90 L100 V102	E45-L88 CarbonylContact C-O 3.57Å; E45-L88 VanDerWaalsContact CA-O 3.31Å; E45-L88 WeakPolarHBondContact CA-O 3.14Å; Y46-L88 HydrophobicContact CD1-CD1 3.93Å; Y46-L88 PolarHBondContact N-O 3.09Å; Y46-L88 WeakPolarHBondContact O-CB 3.49Å; Y46-L88 PolarHBondContact O-N 3.27Å; I48-L88 HydrophobicContact CD1-CD1 3.25Å; I48-L88 HydrophobicContact CD1-CG 4.36Å; I48-L88 HydrophobicContact CG1-CD1 3.82Å; A63-L88 HydrophobicContact CB-CD1 4.14Å; A63-L88 HydrophobicContact CB-CD2 3.22Å; A63-L88 HydrophobicContact CB-CG 4.33Å; V74-L88 HydrophobicContact CG1-CB 3.97Å; V74-L88 HydrophobicContact CG1-CD2 3.86Å; V76-L88 HydrophobicContact CB-CD2 4.05Å; V76-L88 HydrophobicContact CG1-CD2 3.92Å; V76-L88 HydrophobicContact CG2-CD2 3.55Å; L88-L90 PolarHBondContact O-N 2.95Å; L88-L100 HydrophobicContact CD1-CD1 4.31Å; L88-L100 HydrophobicContact CD1-CD2 3.97Å; L88-V102 HydrophobicContact CD1-CG2 4.45Å
89	D	90	Very high	87.6	Confident	95 Å²	95	71 Å²	71	51%	0.508	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	102.1	179.1	-177.9	2.1	0	0	0	110.2	V74 P75 G91	V74-D89 WeakPolarHBondContact CG1-O 3.38Å; P75-D89 HydrophobicContact CG-CB 4.09Å; D89-G91 VanDerWaalsContact C-N 3.3Å; D89-G91 PolarHBondContact OD1-N 2.8Å
90	L	86.8	Confident	87.8	Confident	16 Å²	16	68.7 Å²	68.7	8%	0.084	40%	0.401	C	S	.	.			trans	-87.3	-3.7	-179.5	-58.1	178.5	0	0	0	112.1	L39 T42 P43 A44 C65 V74 L88 L100	L39-L90 HydrophobicContact CD1-CD1 4Å; T42-L90 HydrophobicContact CG2-CB 4.3Å; P43-L90 HydrophobicContact CG-CD1 3.97Å; P43-L90 WeakPolarHBondContact O-CB 3.43Å; A44-L90 PolarHBondContact O-N 3.37Å; C65-L90 HydrophobicContact CB-CD2 4.19Å; V74-L90 HydrophobicContact CG1-CD2 3.99Å; V74-L90 HydrophobicContact CG2-CD2 3.87Å; L88-L90 PolarHBondContact O-N 2.95Å; L90-L100 HydrophobicContact CD2-CD1 3.91Å
91	G	84.7	Confident	88.3	Confident	37 Å²	37	64.6 Å²	64.6	38%	0.381	36%	0.364	S	S	.	.			trans	87.8	-127.9	178.7	0	0	0	0	0	113.4	A44 D89	A44-G91 WeakPolarHBondContact CA-O 3.18Å; D89-G91 VanDerWaalsContact C-N 3.3Å; D89-G91 PolarHBondContact OD1-N 2.8Å
92	K	84.3	Confident	88.8	Confident	191 Å²	191	60.6 Å²	60.6	83%	0.83	32%	0.323	S	S	*	.	S	Bend	trans	-77.5	128	-172.2	-70.8	-175	-180	-179.4	0	110.7
93	P	85.5	Confident	89.4	Confident	98 Å²	98	60.7 Å²	60.7	64%	0.636	33%	0.325	S	S	*	.			trans	-63.6	139	177.4	27.1	-33.4	0	0	0	110.5	T42	T42-P93 CarbonylContact O-C 3.6Å; T42-P93 WeakPolarHBondContact O-CA 3.4Å
94	S	86.2	Confident	89.8	Confident	44 Å²	44	57.2 Å²	57.2	31%	0.308	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-143.9	144.9	-179.3	177.7	0	0	0	0	109.5	T42 Q96	T42-S94 PolarHBondContact N-O 3.17Å; T42-S94 PolarHBondContact O-N 2.92Å; S94-Q96 PolarHBondContact O-N 3.19Å; S94-Q96 PolarHBondContact OG-N 3.31Å
95	T	85.5	Confident	90.1	Very high	124 Å²	124	53.9 Å²	53.9	76%	0.761	29%	0.287	S	S	*	.	S	Bend	trans	-75.2	0.7	174.7	56.6	0	0	0	0	113
96	Q	87.3	Confident	90.3	Very high	141 Å²	141	53.5 Å²	53.5	66%	0.659	29%	0.285	S	S	*	.	S	Bend	trans	-79.9	145.1	176.9	-66.5	179.9	-14	0	0	111.3	E41 T42 S94	E41-Q96 CarbonylContact C-O 3.49Å; E41-Q96 WeakPolarHBondContact CA-O 3.47Å; T42-Q96 PolarHBondContact N-O 2.97Å; T42-Q96 VanDerWaalsContact N-O 3.1Å; T42-Q96 PolarHBondContact OG1-O 3.22Å; S94-Q96 PolarHBondContact O-N 3.19Å; S94-Q96 PolarHBondContact OG-N 3.31Å
97	Q	89.9	Confident	90.4	Very high	120 Å²	120	52 Å²	52	56%	0.561	28%	0.279	S	S	*	.			trans	-66.4	143.9	171	-64.4	178.6	4.8	0	0	110.1	I18 L38 L39	I18-Q97 HydrophobicContact CD1-CG 4.12Å; L38-Q97 HydrophobicContact CD1-CB 4.04Å; L39-Q97 WeakPolarHBondContact O-CA 3.43Å; L39-Q97 WeakPolarHBondContact O-CB 3.46Å
98	I	89.6	Confident	90.4	Very high	29 Å²	29	55.3 Å²	55.3	15%	0.149	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	140.3	178	-169.5	167.2	0	0	0	110.1	L39 T42 C65	L39-I98 HydrophobicContact CB-CG2 4.04Å; L39-I98 HydrophobicContact CD1-CG2 3.93Å; L39-I98 HydrophobicContact CG-CG2 4.35Å; L39-I98 PolarHBondContact N-O 3.26Å; T42-I98 HydrophobicContact CG2-CD1 4.03Å; T42-I98 HydrophobicContact CG2-CG2 4.15Å; T42-I98 WeakPolarHBondContact OG1-CB 3.37Å; T42-I98 WeakPolarHBondContact OG1-CG2 3.36Å; C65-I98 HydrophobicContact CB-CD1 3.93Å; C65-I98 HydrophobicContact CB-CG1 4.38Å
99	H	92.2	Very high	90.4	Very high	78 Å²	78	56.1 Å²	56.1	36%	0.361	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	125.4	168.4	-76.5	-83.9	0	0	0	109.8	N36 C65 G66 F101	N36-H99 PolarHBondContact OD1-ND1 2.88Å; C65-H99 CarbonylContact C-O 3.43Å; C65-H99 VanDerWaalsContact CA-O 3.31Å; C65-H99 WeakPolarHBondContact CA-O 3.33Å; G66-H99 PolarHBondContact N-O 3Å; G66-H99 WeakPolarHBondContact O-CB 3.42Å; H99-F101 HydrophobicContact CB-CE2 4.14Å; H99-F101 HydrophobicContact CB-CZ 4.09Å
100	L	93.1	Very high	90.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121	175.6	176.8	66.1	0	0	0	108.9	I37 L39 Y46 C65 L88 L90 V102	I37-L100 HydrophobicContact CB-CB 4.3Å; I37-L100 HydrophobicContact CD1-CD2 4.36Å; I37-L100 PolarHBondContact N-O 2.74Å; I37-L100 PolarHBondContact O-N 3.29Å; L39-L100 HydrophobicContact CD1-CB 4.42Å; L39-L100 HydrophobicContact CD1-CD2 4.29Å; Y46-L100 HydrophobicContact CD1-CD2 3.35Å; Y46-L100 HydrophobicContact CE1-CD2 3.7Å; Y46-L100 HydrophobicContact CG-CD2 3.93Å; C65-L100 HydrophobicContact CB-CD1 4.39Å; L88-L100 HydrophobicContact CD1-CD1 4.31Å; L88-L100 HydrophobicContact CD1-CD2 3.97Å; L90-L100 HydrophobicContact CD2-CD1 3.91Å; L100-V102 HydrophobicContact CD1-CG2 4.44Å; L100-V102 HydrophobicContact CD2-CG2 4.15Å; L100-V102 HydrophobicContact CG-CG2 3.87Å
101	F	94.6	Very high	90.8	Very high	13 Å²	13	56.5 Å²	56.5	6%	0.057	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	129.2	175.5	-55.5	-77.3	0	0	0	109.7	H34 H35 N36 A63 S64 G66 A68 P71 H99	H34-F101 AromaticContact CE1-CD1 3.88Å; H34-F101 AromaticContact NE2-CD1 3.66Å; H35-F101 CarbonylContact O-C 3.55Å; H35-F101 VanDerWaalsContact O-CA 3.25Å; H35-F101 WeakPolarHBondContact O-CA 3.1Å; N36-F101 HydrophobicContact CB-CD1 3.99Å; N36-F101 HydrophobicContact CB-CE1 4.02Å; N36-F101 VanDerWaalsContact CG-CE1 3.48Å; A63-F101 CarbonylContact C-O 3.6Å; A63-F101 VanDerWaalsContact CA-O 3.24Å; A63-F101 WeakPolarHBondContact CA-O 3.46Å; S64-F101 PolarHBondContact N-O 2.95Å; S64-F101 PolarHBondContact O-N 2.73Å; G66-F101 WeakPolarHBondContact O-CE2 3.34Å; A68-F101 HydrophobicContact CB-CE1 4.44Å; A68-F101 HydrophobicContact CB-CE2 4.44Å; A68-F101 HydrophobicContact CB-CZ 3.75Å; P71-F101 HydrophobicContact CB-CD2 4.18Å; P71-F101 HydrophobicContact CB-CE2 4.47Å; H99-F101 HydrophobicContact CB-CE2 4.14Å; H99-F101 HydrophobicContact CB-CZ 4.09Å
102	V	94.3	Very high	91.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	122.1	-178.4	-161.5	0	0	0	0	110.1	H35 I37 I48 G62 A63 L88 L100 Y104	H35-V102 HydrophobicContact CB-CB 4.22Å; H35-V102 PolarHBondContact N-O 2.89Å; H35-V102 PolarHBondContact ND1-O 3.41Å; H35-V102 PolarHBondContact O-N 2.69Å; I37-V102 HydrophobicContact CD1-CG2 4.01Å; I48-V102 HydrophobicContact CD1-CB 3.94Å; I48-V102 HydrophobicContact CD1-CG1 3.47Å; I48-V102 VanDerWaalsContact CD1-CG1 3.47Å; I48-V102 HydrophobicContact CD1-CG2 3.41Å; I48-V102 VanDerWaalsContact CD1-CG2 3.41Å; G62-V102 WeakPolarHBondContact O-CA 3.37Å; G62-V102 WeakPolarHBondContact O-CG1 3.31Å; A63-V102 HydrophobicContact CB-CG1 4.37Å; L88-V102 HydrophobicContact CD1-CG2 4.45Å; L100-V102 HydrophobicContact CD1-CG2 4.44Å; L100-V102 HydrophobicContact CD2-CG2 4.15Å; L100-V102 HydrophobicContact CG-CG2 3.87Å; V102-Y104 HydrophobicContact CB-CE1 4.32Å; V102-Y104 HydrophobicContact CG1-CD1 4.17Å; V102-Y104 HydrophobicContact CG1-CE1 3.26Å; V102-Y104 WeakPolarHBondContact CG1-OH 3.44Å
103	D	94.5	Very high	91.6	Very high	64 Å²	64	54 Å²	54	34%	0.342	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124	-177.4	-74.3	-63.2	0	0	0	110.6	I33 H34 I61 G62	I33-D103 WeakPolarHBondContact O-CA 3.24Å; H34-D103 WeakPolarHBondContact CB-OD1 3.28Å; H34-D103 IonicContact CE1-OD1 2.66Å; H34-D103 IonicContact CE1-OD2 3.69Å; H34-D103 IonicContact CG-OD1 3.91Å; H34-D103 VanDerWaalsContact ND1-CG 3.32Å; H34-D103 IonicContact ND1-OD1 3.9Å; H34-D103 PolarHBondContact ND1-OD1 2.74Å; H34-D103 IonicContact ND1-OD2 2.99Å; H34-D103 PolarHBondContact ND1-OD2 2.87Å; I61-D103 WeakPolarHBondContact CA-O 3.49Å; G62-D103 PolarHBondContact N-O 3.26Å; G62-D103 PolarHBondContact O-N 2.69Å
104	Y	92.3	Very high	92	Very high	18 Å²	18	52.6 Å²	52.6	7%	0.071	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	143.1	169.3	-46.2	-37.4	0	0	0	110.3	K32 I33 H35 I48 L58 F60 I61 V102	K32-Y104 WeakPolarHBondContact CA-O 3.41Å; I33-Y104 HydrophobicContact CB-CD2 4.49Å; I33-Y104 PolarHBondContact N-O 2.85Å; I33-Y104 PolarHBondContact O-N 2.84Å; H35-Y104 AromaticContact CE1-CD2 3.51Å; H35-Y104 AromaticContact CE1-CE2 3.12Å; H35-Y104 WeakPolarHBondContact CE1-CE2 3.49Å; H35-Y104 AromaticContact CE1-CZ 3.96Å; H35-Y104 AromaticContact ND1-CD2 3.93Å; H35-Y104 AromaticContact ND1-CE2 3.45Å; H35-Y104 WeakPolarHBondContact ND1-CE2 3.33Å; H35-Y104 AromaticContact ND1-CZ 3.86Å; I48-Y104 HydrophobicContact CG2-CE1 4.16Å; I48-Y104 WeakPolarHBondContact CG2-OH 2.94Å; L58-Y104 HydrophobicContact CD1-CG 4.48Å; F60-Y104 WeakPolarHBondContact O-CA 3.34Å; I61-Y104 HydrophobicContact CB-CD1 4.14Å; I61-Y104 HydrophobicContact CD1-CD1 3.86Å; I61-Y104 HydrophobicContact CD1-CE1 3.43Å; I61-Y104 VanDerWaalsContact CD1-CE1 3.43Å; I61-Y104 HydrophobicContact CG1-CD1 3.67Å; I61-Y104 HydrophobicContact CG1-CE1 3.62Å; V102-Y104 HydrophobicContact CB-CE1 4.32Å; V102-Y104 HydrophobicContact CG1-CD1 4.17Å; V102-Y104 HydrophobicContact CG1-CE1 3.26Å; V102-Y104 WeakPolarHBondContact CG1-OH 3.44Å
105	V	95	Very high	92.4	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.018	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	117.6	165.8	-172.3	0	0	0	0	108.2	I30 K32 A59 F60 V388 E390	I30-V105 HydrophobicContact CB-CG1 4.16Å; I30-V105 HydrophobicContact CD1-CG1 3.84Å; I30-V105 HydrophobicContact CG1-CG1 4.49Å; K32-V105 HydrophobicContact CD-CG2 4.39Å; K32-V105 HydrophobicContact CG-CG1 4.4Å; K32-V105 HydrophobicContact CG-CG2 4.23Å; A59-V105 PolarHBondContact N-O 2.88Å; F60-V105 HydrophobicContact CB-CB 4.15Å; F60-V105 HydrophobicContact CB-CG2 4.18Å; F60-V105 HydrophobicContact CD1-CG2 4.39Å; F60-V105 PolarHBondContact N-O 3.43Å; F60-V105 PolarHBondContact O-N 3.21Å; V105-V388 HydrophobicContact CB-CG2 4.3Å; V105-V388 HydrophobicContact CG1-CB 4.3Å; V105-V388 HydrophobicContact CG1-CG1 3.92Å; V105-V388 HydrophobicContact CG1-CG2 4.14Å; V105-E390 HydrophobicContact CG2-CG 4.47Å
106	L	94.9	Very high	92.8	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.016	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.8	177.7	-55.6	175.6	0	0	0	109.5	I30 V31 I33 D54 H57 L58 L109	I30-L106 WeakPolarHBondContact CA-O 3.46Å; V31-L106 HydrophobicContact CB-CB 4.37Å; V31-L106 PolarHBondContact N-O 3.46Å; V31-L106 PolarHBondContact O-N 3.17Å; I33-L106 HydrophobicContact CD1-CD1 3.65Å; I33-L106 HydrophobicContact CG1-CD1 4.47Å; D54-L106 HydrophobicContact CB-CD1 4.21Å; D54-L106 HydrophobicContact CB-CD2 4.42Å; H57-L106 CarbonylContact O-C 3.51Å; H57-L106 VanDerWaalsContact O-CA 3.29Å; H57-L106 WeakPolarHBondContact O-CA 3.49Å; L58-L106 HydrophobicContact CB-CD2 4.19Å; L58-L106 HydrophobicContact CD1-CD2 3.84Å; L106-L109 HydrophobicContact CB-CD2 4.2Å; L106-L109 HydrophobicContact CD1-CD2 3.66Å
107	T	94.3	Very high	93.1	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	155.3	-179	58.5	0	0	0	0	110.1	I30 H57 A59 L109 F335 N386 V388	I30-T107 HydrophobicContact CG2-CG2 3.88Å; H57-T107 WeakPolarHBondContact CB-O 3.44Å; H57-T107 VanDerWaalsContact CG-O 3.3Å; H57-T107 PolarHBondContact ND1-O 3.28Å; H57-T107 PolarHBondContact O-N 2.93Å; H57-T107 PolarHBondContact O-OG1 3.37Å; A59-T107 HydrophobicContact CB-CG2 3.69Å; T107-L109 PolarHBondContact O-N 3.22Å; T107-F335 HydrophobicContact CG2-CD2 3.46Å; T107-F335 VanDerWaalsContact CG2-CD2 3.46Å; T107-F335 HydrophobicContact CG2-CE2 3.59Å; T107-F335 HydrophobicContact CG2-CG 4.11Å; T107-F335 HydrophobicContact CG2-CZ 4.29Å; T107-N386 WeakPolarHBondContact CB-OD1 3.47Å; T107-N386 VanDerWaalsContact CG2-OD1 3.3Å; T107-N386 WeakPolarHBondContact CG2-OD1 3.45Å; T107-N386 PolarHBondContact OG1-ND2 2.85Å; T107-N386 PolarHBondContact OG1-OD1 3.26Å; T107-V388 HydrophobicContact CG2-CG1 3.89Å
108	E	91.5	Very high	93.3	Very high	86 Å²	86	44.6 Å²	44.6	40%	0.402	23%	0.225	S	C	.	.	S	Bend	trans	58	19.9	174.1	-52.3	-174.3	156.3	0	0	116.1	F335 R337	E108-F335 HydrophobicContact CG-CE1 3.53Å; E108-F335 HydrophobicContact CG-CZ 3.73Å; E108-R337 IonicContact OE1-CZ 3.64Å; E108-R337 IonicContact OE1-NE 2.73Å; E108-R337 PolarHBondContact OE1-NE 2.94Å; E108-R337 IonicContact OE1-NH2 3.45Å; E108-R337 PolarHBondContact OE1-NH2 3.1Å
109	L	91.9	Very high	93.4	Very high	18 Å²	18	44 Å²	44	9%	0.094	22%	0.222	C	C	.	.			trans	-89.4	-12.2	-179.6	-170.1	57.4	0	0	0	113.4	V31 L106 T107 F127	V31-L109 HydrophobicContact CG2-CB 4.22Å; V31-L109 HydrophobicContact CG2-CD2 4.46Å; L106-L109 HydrophobicContact CB-CD2 4.2Å; L106-L109 HydrophobicContact CD1-CD2 3.66Å; T107-L109 PolarHBondContact O-N 3.22Å; L109-F127 HydrophobicContact CD2-CD2 4.21Å; L109-F127 HydrophobicContact CD2-CE2 3.5Å; L109-F127 HydrophobicContact CD2-CZ 4.38Å; L109-F127 HydrophobicContact CG-CD2 4.12Å; L109-F127 HydrophobicContact CG-CE2 3.92Å
110	L	92.7	Very high	93.4	Very high	11 Å²	11	43.7 Å²	43.7	6%	0.058	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	113.8	-179.4	-63.4	177.1	0	0	0	110.4	F26 V31 F127 Y192 F196	F26-L110 HydrophobicContact CD1-CD1 4.12Å; F26-L110 HydrophobicContact CD1-CD2 3.7Å; F26-L110 HydrophobicContact CD1-CG 4.43Å; F26-L110 HydrophobicContact CE1-CD2 3.79Å; V31-L110 HydrophobicContact CG2-CD1 4.26Å; V31-L110 HydrophobicContact CG2-CD2 4.09Å; V31-L110 HydrophobicContact CG2-CG 3.9Å; L110-F127 HydrophobicContact CD2-CB 3.91Å; L110-F127 HydrophobicContact CD2-CD2 3.96Å; L110-F127 HydrophobicContact CD2-CG 4.38Å; L110-Y192 HydrophobicContact CD1-CD1 4.44Å; L110-Y192 HydrophobicContact CD1-CE1 3.94Å; L110-F196 HydrophobicContact CB-CE2 3.65Å; L110-F196 HydrophobicContact CB-CZ 3.83Å; L110-F196 HydrophobicContact CD1-CE2 4.38Å; L110-F196 HydrophobicContact CD1-CZ 3.84Å; L110-F196 HydrophobicContact CG-CZ 4.49Å
111	E	92.7	Very high	93.3	Very high	108 Å²	108	47.4 Å²	47.4	51%	0.505	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	119.1	-179.3	-65.4	176.3	170.3	0	0	110.5	R113 V125 K126	E111-R113 PolarHBondContact O-N 2.78Å; E111-V125 CarbonylContact O-C 3.56Å; E111-V125 WeakPolarHBondContact O-CA 3.45Å; E111-K126 PolarHBondContact N-O 2.9Å; E111-K126 PolarHBondContact O-N 2.85Å
112	P	93.2	Very high	93.1	Very high	31 Å²	31	51.6 Å²	51.6	20%	0.201	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	126	172.1	-19.8	31.4	0	0	0	111.2	P114 A115 A227	P112-P114 CarbonylContact C-O 3.5Å; P112-P114 CarbonylContact O-C 3.58Å; P112-A115 WeakPolarHBondContact O-CA 3.49Å; P112-A115 PolarHBondContact O-N 3.36Å; P112-A227 HydrophobicContact CB-CB 3.81Å
113	R	93	Very high	93	Very high	144 Å²	144	51.6 Å²	51.6	54%	0.543	27%	0.271	S	S	.	.	S	Bend	trans	-139.4	105.9	179.8	-170.5	175.3	-179.2	142.3	-3.2	109.9	E111 F124 K126 H189	E111-R113 PolarHBondContact O-N 2.78Å; R113-F124 PolarHBondContact N-O 2.75Å; R113-F124 VanDerWaalsContact O-CB 3.32Å; R113-F124 WeakPolarHBondContact O-CB 3.23Å; R113-K126 HydrophobicContact CB-CB 4.34Å; R113-H189 PolarHBondContact O-NE2 3.19Å
114	P	94	Very high	93	Very high	69 Å²	69	50.2 Å²	50.2	45%	0.448	26%	0.262	S	S	.	.	S	Bend	cis	-68.6	154.1	7.7	30.5	-36.5	0	0	0	113	P112 E116 I117	P112-P114 CarbonylContact C-O 3.5Å; P112-P114 CarbonylContact O-C 3.58Å; P114-E116 PolarHBondContact O-N 2.91Å; P114-I117 HydrophobicContact CG-CG2 3.77Å
115	A	93.6	Very high	93.1	Very high	67 Å²	67	49.4 Å²	49.4	55%	0.554	26%	0.259	S	S	*	.	S	Bend	trans	-69.9	-21.9	-179.5	0	0	0	0	0	112.9	P112 A227 K228	P112-A115 WeakPolarHBondContact O-CA 3.49Å; P112-A115 PolarHBondContact O-N 3.36Å; A115-A227 CarbonylContact O-C 3.58Å; A115-A227 WeakPolarHBondContact O-CA 3.12Å; A115-K228 PolarHBondContact O-N 2.98Å
116	E	94.6	Very high	93.1	Very high	99 Å²	99	51.5 Å²	51.5	46%	0.463	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	138.9	176.9	-44.5	-174.1	159.9	0	0	109.7	P114 K228 R230	P114-E116 PolarHBondContact O-N 2.91Å; E116-K228 CarbonylContact C-O 3.59Å; E116-K228 WeakPolarHBondContact CA-O 3.45Å; E116-K228 HydrophobicContact CG-CB 4.25Å; E116-R230 HydrophobicContact CB-CB 4.02Å
117	I	93.9	Very high	93	Very high	9 Å²	9	51.5 Å²	51.5	5%	0.046	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	146.5	-177.6	59	170.9	0	0	0	110.4	P114 D121 Q123 A227 K228 L229 R230 V246	P114-I117 HydrophobicContact CG-CG2 3.77Å; I117-D121 HydrophobicContact CB-CB 3.91Å; I117-D121 HydrophobicContact CG2-CB 4.39Å; I117-Q123 HydrophobicContact CD1-CB 4.08Å; I117-A227 HydrophobicContact CB-CB 4.29Å; I117-A227 HydrophobicContact CD1-CB 3.8Å; I117-A227 HydrophobicContact CG1-CB 3.65Å; I117-A227 HydrophobicContact CG2-CB 3.83Å; I117-K228 PolarHBondContact N-O 3.03Å; I117-L229 CarbonylContact O-C 3.55Å; I117-L229 WeakPolarHBondContact O-CA 3.35Å; I117-R230 PolarHBondContact O-N 3.01Å; I117-V246 HydrophobicContact CD1-CG1 4.29Å
118	H	93.7	Very high	93	Very high	86 Å²	86	52.8 Å²	52.8	40%	0.398	28%	0.276	S	S	.	.			trans	-70.8	163	168.9	-67.4	-69.9	0	0	0	111	A120 D121 R230	H118-A120 PolarHBondContact O-N 2.81Å; H118-A120 VanDerWaalsContact O-N 3.15Å; H118-D121 WeakPolarHBondContact CB-OD2 3.49Å; H118-D121 IonicContact CD2-OD2 2.76Å; H118-D121 PolarHBondContact CD2-OD2 2.81Å; H118-D121 IonicContact CG-OD2 3.75Å; H118-D121 PolarHBondContact N-OD2 2.82Å; H118-D121 WeakPolarHBondContact O-CB 3.19Å; H118-D121 PolarHBondContact O-N 2.77Å; H118-R230 PolarHBondContact ND1-O 3.3Å
119	Q	91.6	Very high	93	Very high	15 Å²	15	48.9 Å²	48.9	7%	0.07	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-33.5	-178.4	-178.2	175	-17.4	0	0	113.6	L229 S234 I242 G243 M294	Q119-L229 HydrophobicContact CB-CD1 3.94Å; Q119-S234 PolarHBondContact NE2-O 2.81Å; Q119-S234 PolarHBondContact OE1-O 2.83Å; Q119-I242 PolarHBondContact NE2-O 3.21Å; Q119-G243 WeakPolarHBondContact O-CA 3.42Å; Q119-G243 PolarHBondContact O-N 2.81Å; Q119-M294 HydrophobicContact CG-CE 4.19Å
120	A	91.7	Very high	93	Very high	73 Å²	73	48.1 Å²	48.1	60%	0.603	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-10.1	179.8	0	0	0	0	0	114.1	H118 I242	H118-A120 PolarHBondContact O-N 2.81Å; H118-A120 VanDerWaalsContact O-N 3.15Å; A120-I242 HydrophobicContact CB-CG2 3.55Å
121	D	91.9	Very high	92.8	Very high	77 Å²	77	47.6 Å²	47.6	41%	0.412	25%	0.253	S	S	.	.	S	Bend	trans	-77.4	158.5	-176.3	-69.6	-18.6	0	0	0	111	I117 H118	I117-D121 HydrophobicContact CB-CB 3.91Å; I117-D121 HydrophobicContact CG2-CB 4.39Å; H118-D121 WeakPolarHBondContact CB-OD2 3.49Å; H118-D121 IonicContact CD2-OD2 2.76Å; H118-D121 PolarHBondContact CD2-OD2 2.81Å; H118-D121 IonicContact CG-OD2 3.75Å; H118-D121 PolarHBondContact N-OD2 2.82Å; H118-D121 WeakPolarHBondContact O-CB 3.19Å; H118-D121 PolarHBondContact O-N 2.77Å
122	K	90.8	Very high	92.8	Very high	102 Å²	102	43.4 Å²	43.4	44%	0.443	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-90.6	141.2	176	-52.5	-166.4	-175.6	178.3	0	110.7	F124 E191 Y193	K122-F124 HydrophobicContact CB-CE2 3.96Å; K122-F124 HydrophobicContact CB-CZ 4.27Å; K122-F124 WeakPolarHBondContact O-CD2 3.31Å; K122-E191 WeakPolarHBondContact CD-OE1 3.24Å; K122-E191 WeakPolarHBondContact CE-OE1 3.25Å; K122-E191 IonicContact NZ-OE1 3.88Å; K122-E191 PolarHBondContact NZ-OE1 2.89Å; K122-Y193 HydrophobicContact CD-CE1 4.33Å
123	Q	91.9	Very high	92.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-81.3	129.6	174.9	179.5	171.2	-44.5	0	0	110.7	I117 V125 E191 Y192 A227 V246	I117-Q123 HydrophobicContact CD1-CB 4.08Å; Q123-V125 HydrophobicContact CG-CG1 4.27Å; Q123-E191 WeakPolarHBondContact O-CA 3.47Å; Q123-Y192 WeakPolarHBondContact CB-O 3.04Å; Q123-Y192 PolarHBondContact O-N 2.76Å; Q123-A227 HydrophobicContact CG-CB 4.25Å; Q123-V246 HydrophobicContact CB-CG1 4.3Å; Q123-V246 HydrophobicContact CB-CG2 3.91Å
124	F	93.6	Very high	92.7	Very high	35 Å²	35	38.5 Å²	38.5	15%	0.154	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	147	170.2	-60.7	-90	0	0	0	109.8	R113 K122 L154 H189 F190 E191	R113-F124 PolarHBondContact N-O 2.75Å; R113-F124 VanDerWaalsContact O-CB 3.32Å; R113-F124 WeakPolarHBondContact O-CB 3.23Å; K122-F124 HydrophobicContact CB-CE2 3.96Å; K122-F124 HydrophobicContact CB-CZ 4.27Å; K122-F124 WeakPolarHBondContact O-CD2 3.31Å; F124-L154 HydrophobicContact CB-CD1 4.4Å; F124-L154 HydrophobicContact CD1-CD1 3.29Å; F124-L154 HydrophobicContact CD1-CG 3.8Å; F124-L154 HydrophobicContact CD2-CD1 4.41Å; F124-L154 HydrophobicContact CE1-CD1 3.5Å; F124-L154 HydrophobicContact CE1-CD2 3.96Å; F124-L154 HydrophobicContact CE1-CG 3.74Å; F124-L154 HydrophobicContact CG-CD1 3.81Å; F124-L154 HydrophobicContact CZ-CD1 4.16Å; F124-H189 WeakPolarHBondContact CB-NE2 3.47Å; F124-F190 CarbonylContact C-O 3.53Å; F124-F190 VanDerWaalsContact CA-O 3.31Å; F124-F190 WeakPolarHBondContact CA-O 3.36Å; F124-E191 VanDerWaalsContact CD1-CA 3.47Å; F124-E191 HydrophobicContact CD1-CB 3.74Å; F124-E191 HydrophobicContact CD1-CG 4.25Å; F124-E191 HydrophobicContact CE1-CB 3.61Å; F124-E191 HydrophobicContact CE1-CG 3.91Å; F124-E191 HydrophobicContact CZ-CG 4.38Å
125	V	94.7	Very high	92.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	141.6	-176.5	-58.8	0	0	0	0	110.4	E111 Q123 H189 F190 Y192 F196	E111-V125 CarbonylContact O-C 3.56Å; E111-V125 WeakPolarHBondContact O-CA 3.45Å; Q123-V125 HydrophobicContact CG-CG1 4.27Å; V125-H189 WeakPolarHBondContact O-CA 3.19Å; V125-H189 PolarHBondContact O-CD2 2.82Å; V125-F190 HydrophobicContact CG2-CD2 3.94Å; V125-F190 HydrophobicContact CG2-CE1 4.13Å; V125-F190 HydrophobicContact CG2-CE2 3.46Å; V125-F190 VanDerWaalsContact CG2-CE2 3.46Å; V125-F190 HydrophobicContact CG2-CG 4.46Å; V125-F190 HydrophobicContact CG2-CZ 3.58Å; V125-F190 PolarHBondContact N-O 2.79Å; V125-F190 PolarHBondContact O-N 2.9Å; V125-F190 VanDerWaalsContact O-N 3.09Å; V125-Y192 HydrophobicContact CG1-CD1 4.26Å; V125-Y192 HydrophobicContact CG2-CD1 3.95Å; V125-Y192 HydrophobicContact CG2-CG 4.24Å; V125-F196 HydrophobicContact CB-CZ 4.49Å; V125-F196 HydrophobicContact CG1-CE1 4.36Å; V125-F196 HydrophobicContact CG1-CE2 4.17Å; V125-F196 HydrophobicContact CG1-CZ 3.65Å
126	K	94.3	Very high	92.5	Very high	48 Å²	48	32.9 Å²	32.9	21%	0.209	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	123	173.6	-175.7	-169.7	169.8	-147.6	0	108.3	E111 R113 S128 V187 L188	E111-K126 PolarHBondContact N-O 2.9Å; E111-K126 PolarHBondContact O-N 2.85Å; R113-K126 HydrophobicContact CB-CB 4.34Å; K126-S128 WeakPolarHBondContact CE-OG 3.47Å; K126-S128 PolarHBondContact NZ-OG 2.81Å; K126-V187 HydrophobicContact CD-CG1 4.38Å; K126-V187 HydrophobicContact CG-CG1 4.03Å; K126-L188 CarbonylContact C-O 3.3Å; K126-L188 VanDerWaalsContact CA-O 3.3Å; K126-L188 WeakPolarHBondContact CA-O 3.29Å
127	F	94.4	Very high	92.4	Very high	3 Å²	3	29 Å²	29	1%	0.013	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	127.9	166.8	172.5	-105.5	0	0	0	108.1	I24 F26 V31 L109 L110 L186 V187 L188 F190	I24-F127 HydrophobicContact CD1-CE1 4.31Å; I24-F127 HydrophobicContact CD1-CZ 4.36Å; I24-F127 HydrophobicContact CG2-CZ 4.3Å; F26-F127 HydrophobicContact CE1-CB 4.1Å; F26-F127 HydrophobicContact CE1-CD1 4.23Å; F26-F127 AromaticContact CE1-CD2 3.63Å; F26-F127 HydrophobicContact CE1-CD2 3.63Å; F26-F127 HydrophobicContact CE1-CE2 4.02Å; F26-F127 AromaticContact CE1-CG 3.72Å; F26-F127 HydrophobicContact CE1-CG 3.72Å; F26-F127 HydrophobicContact CE1-CZ 4.49Å; F26-F127 HydrophobicContact CZ-CB 4.24Å; F26-F127 AromaticContact CZ-CD1 3.96Å; F26-F127 HydrophobicContact CZ-CD1 3.96Å; F26-F127 HydrophobicContact CZ-CD2 4.2Å; F26-F127 HydrophobicContact CZ-CE1 4.34Å; F26-F127 AromaticContact CZ-CG 3.87Å; F26-F127 HydrophobicContact CZ-CG 3.87Å; V31-F127 HydrophobicContact CG1-CE2 4Å; V31-F127 HydrophobicContact CG1-CZ 4.5Å; V31-F127 HydrophobicContact CG2-CD2 4.37Å; V31-F127 HydrophobicContact CG2-CE2 4.22Å; L109-F127 HydrophobicContact CD2-CD2 4.21Å; L109-F127 HydrophobicContact CD2-CE2 3.5Å; L109-F127 HydrophobicContact CD2-CZ 4.38Å; L109-F127 HydrophobicContact CG-CD2 4.12Å; L109-F127 HydrophobicContact CG-CE2 3.92Å; L110-F127 HydrophobicContact CD2-CB 3.91Å; L110-F127 HydrophobicContact CD2-CD2 3.96Å; L110-F127 HydrophobicContact CD2-CG 4.38Å; F127-L186 HydrophobicContact CE1-CD2 4.21Å; F127-V187 WeakPolarHBondContact O-CA 3.16Å; F127-L188 HydrophobicContact CB-CB 4.41Å; F127-L188 HydrophobicContact CD1-CD1 4.11Å; F127-L188 HydrophobicContact CD1-CG 4.42Å; F127-L188 PolarHBondContact N-O 2.89Å; F127-L188 PolarHBondContact O-N 2.81Å; F127-F190 HydrophobicContact CB-CE1 4.14Å
128	S	92.9	Very high	92.3	Very high	27 Å²	27	32.5 Å²	32.5	19%	0.189	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	144.3	170.3	-50.3	0	0	0	0	107.5	R53 K126 L186	R53-S128 PolarHBondContact NH2-O 2.81Å; K126-S128 WeakPolarHBondContact CE-OG 3.47Å; K126-S128 PolarHBondContact NZ-OG 2.81Å; S128-L186 CarbonylContact C-O 3.54Å; S128-L186 WeakPolarHBondContact CA-O 3.29Å
129	G	92	Very high	92.3	Very high	4 Å²	4	28.5 Å²	28.5	4%	0.041	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	-173.5	-173.6	0	0	0	0	0	111.3	R53 L186	R53-G129 VanDerWaalsContact NH1-N 3.15Å; R53-G129 PolarHBondContact NH1-O 3.48Å; R53-G129 VanDerWaalsContact NH1-O 3.13Å; R53-G129 VanDerWaalsContact NH2-CA 3.3Å; G129-L186 PolarHBondContact N-O 2.88Å; G129-L186 PolarHBondContact O-N 2.95Å
130	N	91.8	Very high	92.3	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	140.1	165.1	-178.9	5.9	0	0	0	109.1	R22 E51 Y132 S182 E184	R22-N130 VanDerWaalsContact CZ-O 3.24Å; R22-N130 PolarHBondContact NH1-O 2.62Å; R22-N130 PolarHBondContact NH2-O 2.97Å; E51-N130 WeakPolarHBondContact OE1-CB 3.31Å; E51-N130 PolarHBondContact OE1-ND2 2.83Å; N130-Y132 PolarHBondContact ND2-O 3.15Å; N130-Y132 PolarHBondContact OD1-N 2.78Å; N130-S182 PolarHBondContact ND2-O 2.8Å; N130-E184 CarbonylContact C-O 3.57Å; N130-E184 WeakPolarHBondContact CA-O 3.37Å; N130-E184 PolarHBondContact OD1-N 2.88Å; N130-E184 PolarHBondContact OD1-O 2.66Å
131	T	89.4	Confident	92.4	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-71.8	-30.7	175.9	-59.5	0	0	0	0	112	R22 T144 T159 Y172 Y175 E184	R22-T131 PolarHBondContact NH2-O 3.05Å; T131-T144 PolarHBondContact O-OG1 2.84Å; T131-T159 HydrophobicContact CG2-CG2 3.78Å; T131-Y172 HydrophobicContact CG2-CD1 4.05Å; T131-Y172 HydrophobicContact CG2-CG 4.41Å; T131-Y175 HydrophobicContact CG2-CE2 3.62Å; T131-Y175 WeakPolarHBondContact CG2-OH 3.29Å; T131-E184 PolarHBondContact N-O 2.89Å; T131-E184 PolarHBondContact OG1-O 3.05Å
132	Y	90.9	Very high	92.5	Very high	19 Å²	19	25.5 Å²	25.5	8%	0.075	12%	0.124	C	C	.	.	S	Bend	trans	-96.8	161.5	-177.1	-56	-30.1	0	0	0	112.2	R22 N130 Y134 Y175 E184	R22-Y132 PolarHBondContact NH1-O 2.86Å; N130-Y132 PolarHBondContact ND2-O 3.15Å; N130-Y132 PolarHBondContact OD1-N 2.78Å; Y132-Y134 PolarHBondContact O-N 2.85Å; Y132-Y175 AromaticContact CD1-CD2 3.96Å; Y132-Y175 HydrophobicContact CD1-CD2 3.96Å; Y132-Y175 HydrophobicContact CD1-CE2 4.13Å; Y132-Y175 HydrophobicContact CD1-CG 4.24Å; Y132-Y175 AromaticContact CE1-CD1 3.81Å; Y132-Y175 HydrophobicContact CE1-CD1 3.81Å; Y132-Y175 AromaticContact CE1-CD2 3.84Å; Y132-Y175 HydrophobicContact CE1-CD2 3.84Å; Y132-Y175 AromaticContact CE1-CE1 3.88Å; Y132-Y175 HydrophobicContact CE1-CE1 3.88Å; Y132-Y175 AromaticContact CE1-CE2 3.9Å; Y132-Y175 HydrophobicContact CE1-CE2 3.9Å; Y132-Y175 AromaticContact CE1-CG 3.79Å; Y132-Y175 HydrophobicContact CE1-CG 3.79Å; Y132-Y175 AromaticContact CE1-CZ 3.93Å; Y132-E184 HydrophobicContact CD2-CB 3.92Å; Y132-E184 HydrophobicContact CE1-CB 4.33Å; Y132-E184 VanDerWaalsContact CE1-OE2 3.28Å; Y132-E184 WeakPolarHBondContact CE1-OE2 3.37Å; Y132-E184 HydrophobicContact CE2-CB 3.51Å; Y132-E184 PolarHBondContact OH-OE2 3.3Å
133	F	92	Very high	92.6	Very high	11 Å²	11	22.2 Å²	22.2	5%	0.048	11%	0.111	C	C	.	.			trans	-77.5	107.3	169	179.4	-123.1	0	0	0	109.7	V20 H35 I37 S135	V20-F133 HydrophobicContact CB-CD1 4.34Å; V20-F133 HydrophobicContact CG1-CB 3.94Å; V20-F133 HydrophobicContact CG1-CD1 3.82Å; V20-F133 HydrophobicContact CG1-CD2 4.16Å; V20-F133 HydrophobicContact CG1-CE1 4.33Å; V20-F133 HydrophobicContact CG1-CG 3.71Å; V20-F133 HydrophobicContact CG2-CD1 3.88Å; V20-F133 HydrophobicContact CG2-CE1 4.23Å; H35-F133 AromaticContact CD2-CD2 3.34Å; H35-F133 WeakPolarHBondContact CD2-CD2 3.42Å; H35-F133 AromaticContact CD2-CE2 3.31Å; H35-F133 WeakPolarHBondContact CD2-CE2 3.48Å; H35-F133 AromaticContact CG-CE2 3.94Å; H35-F133 AromaticContact NE2-CD2 3.62Å; H35-F133 AromaticContact NE2-CE2 3.7Å; I37-F133 HydrophobicContact CD1-CE1 3.99Å; I37-F133 HydrophobicContact CD1-CE2 4.28Å; I37-F133 HydrophobicContact CD1-CZ 3.49Å; I37-F133 VanDerWaalsContact CD1-CZ 3.49Å; I37-F133 HydrophobicContact CG1-CE1 4.41Å; I37-F133 HydrophobicContact CG1-CZ 4.23Å; F133-S135 VanDerWaalsContact CE1-CB 3.43Å; F133-S135 PolarHBondContact O-N 3.09Å; F133-S135 VanDerWaalsContact O-N 3.15Å
134	Y	92.3	Very high	92.8	Very high	62 Å²	62	22.3 Å²	22.3	24%	0.243	11%	0.112	C	C	.	.			trans	-73	105.2	178.4	-167.8	-109.1	0	0	0	110.2	V49 E51 Y132 F181	V49-Y134 HydrophobicContact CB-CD1 4.25Å; V49-Y134 HydrophobicContact CB-CE1 4.2Å; V49-Y134 HydrophobicContact CG1-CD1 4.13Å; V49-Y134 HydrophobicContact CG1-CE1 3.64Å; E51-Y134 HydrophobicContact CG-CD1 3.56Å; E51-Y134 HydrophobicContact CG-CD2 4.2Å; E51-Y134 HydrophobicContact CG-CE1 4.12Å; E51-Y134 HydrophobicContact CG-CG 3.6Å; E51-Y134 WeakPolarHBondContact OE1-CB 3.42Å; Y132-Y134 PolarHBondContact O-N 2.85Å; Y134-F181 HydrophobicContact CD2-CD1 4.49Å; Y134-F181 AromaticContact CE1-CD1 3.91Å; Y134-F181 HydrophobicContact CE1-CD1 3.91Å; Y134-F181 HydrophobicContact CE1-CE1 4.36Å; Y134-F181 HydrophobicContact CE2-CB 3.83Å; Y134-F181 AromaticContact CE2-CD1 3.82Å; Y134-F181 HydrophobicContact CE2-CD1 3.82Å; Y134-F181 HydrophobicContact CE2-CG 4.34Å; Y134-F181 AromaticContact CZ-CD1 3.5Å; Y134-F181 VanDerWaalsContact CZ-CD1 3.5Å
135	S	92.5	Very high	92.8	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.021	12%	0.121	C	C	.	.			trans	-146.4	155	-179	72.3	0	0	0	0	111.7	N17 F133 Y137 A180 F181	N17-S135 PolarHBondContact ND2-OG 3.41Å; F133-S135 VanDerWaalsContact CE1-CB 3.43Å; F133-S135 PolarHBondContact O-N 3.09Å; F133-S135 VanDerWaalsContact O-N 3.15Å; S135-Y137 PolarHBondContact O-N 2.81Å; S135-Y137 PolarHBondContact OG-O 2.82Å; S135-A180 WeakPolarHBondContact O-CA 3.24Å; S135-F181 PolarHBondContact O-N 2.85Å
136	P	91.2	Very high	92.8	Very high	15 Å²	15	24.9 Å²	24.9	10%	0.097	12%	0.121	C	C	.	.	S	Bend	trans	-76.9	0.9	178.3	32	-34.1	0	0	0	113.1	Q47 V49 A180 F181	Q47-P136 HydrophobicContact CB-CG 4.26Å; V49-P136 HydrophobicContact CG2-CG 4.17Å; P136-A180 VanDerWaalsContact O-CB 3.27Å; P136-A180 WeakPolarHBondContact O-CB 3.33Å; P136-F181 HydrophobicContact CB-CE1 4.1Å; P136-F181 HydrophobicContact CB-CE2 4.05Å; P136-F181 HydrophobicContact CB-CZ 3.57Å
137	Y	92.4	Very high	92.7	Very high	18 Å²	18	25.4 Å²	25.4	7%	0.071	12%	0.124	C	C	.	.	S	Bend	trans	-112.7	154.7	-174.5	-52	-73	0	0	0	111.4	L15 Y46 Q47 S135	L15-Y137 HydrophobicContact CB-CD1 4.2Å; L15-Y137 HydrophobicContact CB-CE1 4.27Å; L15-Y137 HydrophobicContact CD2-CD1 4.04Å; L15-Y137 HydrophobicContact CD2-CE1 3.74Å; L15-Y137 HydrophobicContact CD2-CE2 4.26Å; L15-Y137 HydrophobicContact CD2-CG 4.43Å; L15-Y137 HydrophobicContact CG-CD1 4.44Å; Y46-Y137 HydrophobicContact CD2-CD2 4.21Å; Y46-Y137 AromaticContact CD2-CE2 3.57Å; Y46-Y137 HydrophobicContact CD2-CE2 3.57Å; Y46-Y137 HydrophobicContact CE1-CE2 4.4Å; Y46-Y137 AromaticContact CE2-CD2 3.36Å; Y46-Y137 HydrophobicContact CE2-CD2 3.36Å; Y46-Y137 AromaticContact CE2-CE2 3.16Å; Y46-Y137 HydrophobicContact CE2-CE2 3.16Å; Y46-Y137 HydrophobicContact CE2-CG 4.32Å; Y46-Y137 HydrophobicContact CG-CE2 4.34Å; Y46-Y137 AromaticContact CZ-CD2 3.69Å; Y46-Y137 AromaticContact CZ-CE2 3.64Å; Q47-Y137 HydrophobicContact CB-CE2 4.37Å; Q47-Y137 PolarHBondContact N-OH 2.85Å; Q47-Y137 VanDerWaalsContact N-OH 3.11Å; Q47-Y137 WeakPolarHBondContact O-CE2 3.43Å; S135-Y137 PolarHBondContact O-N 2.81Å; S135-Y137 PolarHBondContact OG-O 2.82Å
138	L	93	Very high	92.6	Very high	81 Å²	81	26.2 Å²	26.2	42%	0.424	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	133.1	170.6	-175.8	75.8	0	0	0	109.4	N17 R178	N17-L138 PolarHBondContact N-O 3.39Å; L138-R178 WeakPolarHBondContact CD1-O 3.47Å
139	T	93	Very high	92.4	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.018	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	113.7	177.3	-57.3	0	0	0	0	110.5	N17 V20 N141 Q142 S177 R178	N17-T139 HydrophobicContact CB-CG2 4.05Å; N17-T139 PolarHBondContact ND2-OG1 3.47Å; N17-T139 CarbonylContact O-C 3.39Å; N17-T139 WeakPolarHBondContact O-CA 3.41Å; V20-T139 HydrophobicContact CB-CG2 4.16Å; V20-T139 HydrophobicContact CG2-CG2 3.63Å; T139-N141 WeakPolarHBondContact CG2-O 3.19Å; T139-Q142 HydrophobicContact CG2-CB 3.98Å; T139-S177 CarbonylContact O-C 3.59Å; T139-S177 WeakPolarHBondContact O-CA 3.32Å; T139-R178 PolarHBondContact N-O 2.84Å; T139-R178 PolarHBondContact O-N 2.85Å
140	D	92.7	Very high	92.1	Very high	32 Å²	32	34.4 Å²	34.4	17%	0.171	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	-50	-176.2	-71.9	-9.6	0	0	0	110.8	K16 N17 I18 E176 S177	K16-D140 WeakPolarHBondContact CD-OD2 3.27Å; K16-D140 WeakPolarHBondContact CE-OD2 3.39Å; K16-D140 IonicContact NZ-OD2 2.73Å; K16-D140 PolarHBondContact NZ-OD2 3.02Å; N17-D140 PolarHBondContact O-N 2.87Å; I18-D140 WeakPolarHBondContact O-CB 3.34Å; D140-E176 CarbonylContact O-C 3.53Å; D140-E176 VanDerWaalsContact O-CA 3.28Å; D140-E176 WeakPolarHBondContact O-CA 3.42Å; D140-S177 PolarHBondContact O-N 2.83Å
141	N	93.8	Very high	91.8	Very high	66 Å²	66	35.7 Å²	35.7	35%	0.353	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	136.3	176.4	-68.9	-47.6	0	0	0	110.6	I18 N19 V20 T139	I18-N141 PolarHBondContact O-N 2.96Å; I18-N141 VanDerWaalsContact O-N 3.12Å; N19-N141 CarbonylContact C-O 3.59Å; N19-N141 WeakPolarHBondContact CA-O 3.46Å; V20-N141 PolarHBondContact N-O 3.35Å; T139-N141 WeakPolarHBondContact CG2-O 3.19Å
142	Q	93.2	Very high	91.8	Very high	3 Å²	3	40.9 Å²	40.9	1%	0.014	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	146.4	172	60.6	171.8	3.2	0	0	112.6	V20 T139 A174 Y175	V20-Q142 HydrophobicContact CB-CB 4.15Å; V20-Q142 CarbonylContact O-C 3.46Å; V20-Q142 VanDerWaalsContact O-CA 3.24Å; V20-Q142 WeakPolarHBondContact O-CA 3.49Å; T139-Q142 HydrophobicContact CG2-CB 3.98Å; Q142-A174 WeakPolarHBondContact O-CA 3.31Å; Q142-Y175 HydrophobicContact CG-CD2 4.17Å; Q142-Y175 HydrophobicContact CG-CG 4.49Å; Q142-Y175 PolarHBondContact N-O 2.97Å; Q142-Y175 VanDerWaalsContact N-O 3.07Å; Q142-Y175 PolarHBondContact O-N 2.76Å
143	L	93.6	Very high	91.8	Very high	34 Å²	34	42 Å²	42	18%	0.178	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	128.9	179.1	-166.6	165.6	0	0	0	109	V20 T21 R22 Y145 V171	V20-L143 PolarHBondContact O-N 2.76Å; T21-L143 WeakPolarHBondContact CA-O 3.5Å; R22-L143 PolarHBondContact N-O 2.88Å; L143-Y145 HydrophobicContact CD1-CE2 4.22Å; L143-Y145 HydrophobicContact CD2-CD1 4Å; L143-Y145 HydrophobicContact CD2-CD2 3.37Å; L143-Y145 HydrophobicContact CD2-CE1 3.78Å; L143-Y145 HydrophobicContact CD2-CE2 3.14Å; L143-Y145 HydrophobicContact CD2-CG 3.8Å; L143-Y145 HydrophobicContact CG-CE2 4.23Å; L143-V171 HydrophobicContact CD1-CG1 4.25Å; L143-V171 HydrophobicContact CD2-CG1 3.52Å; L143-V171 HydrophobicContact CG-CG1 3.96Å
144	T	94.2	Very high	91.7	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.012	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	113.7	175.4	-61.3	0	0	0	0	111	R22 I24 T131 I146 V171 Y172	R22-T144 HydrophobicContact CB-CG2 4.5Å; R22-T144 PolarHBondContact NE-OG1 2.83Å; R22-T144 VanDerWaalsContact NE-OG1 3.09Å; R22-T144 PolarHBondContact NH2-OG1 3.34Å; R22-T144 CarbonylContact O-C 3.58Å; R22-T144 VanDerWaalsContact O-CA 3.31Å; R22-T144 WeakPolarHBondContact O-CA 3.41Å; I24-T144 HydrophobicContact CD1-CG2 4.02Å; I24-T144 HydrophobicContact CG1-CG2 4.39Å; T131-T144 PolarHBondContact O-OG1 2.84Å; T144-I146 HydrophobicContact CG2-CD1 4.21Å; T144-I146 HydrophobicContact CG2-CG1 3.85Å; T144-V171 WeakPolarHBondContact O-CA 3.46Å; T144-Y172 PolarHBondContact N-O 3.35Å; T144-Y172 PolarHBondContact O-N 2.94Å
145	Y	94.5	Very high	91.6	Very high	88 Å²	88	45.5 Å²	45.5	35%	0.345	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	131.4	168.1	-68.2	-77.2	0	0	0	110.2	T21 R22 T23 I24 L143 V171	T21-Y145 HydrophobicContact CG2-CD2 3.57Å; T21-Y145 HydrophobicContact CG2-CE2 3.58Å; R22-Y145 PolarHBondContact O-N 2.94Å; T23-Y145 CarbonylContact C-O 3.54Å; T23-Y145 VanDerWaalsContact CA-O 3.29Å; T23-Y145 WeakPolarHBondContact CA-O 3.45Å; I24-Y145 PolarHBondContact N-O 2.78Å; L143-Y145 HydrophobicContact CD1-CE2 4.22Å; L143-Y145 HydrophobicContact CD2-CD1 4Å; L143-Y145 HydrophobicContact CD2-CD2 3.37Å; L143-Y145 HydrophobicContact CD2-CE1 3.78Å; L143-Y145 HydrophobicContact CD2-CE2 3.14Å; L143-Y145 HydrophobicContact CD2-CG 3.8Å; L143-Y145 HydrophobicContact CG-CE2 4.23Å; Y145-V171 HydrophobicContact CD1-CG1 4.32Å; Y145-V171 HydrophobicContact CD1-CG2 3.66Å; Y145-V171 HydrophobicContact CE1-CG1 4.06Å; Y145-V171 HydrophobicContact CE1-CG2 3.69Å
146	I	94.5	Very high	91.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	116.1	176.9	-51.5	-176.9	0	0	0	108.1	I24 F26 T144 L148 N169 L170 Y172 L186 L188	I24-I146 HydrophobicContact CB-CG1 4.32Å; I24-I146 HydrophobicContact CB-CG2 4.39Å; I24-I146 HydrophobicContact CD1-CD1 4.33Å; I24-I146 HydrophobicContact CD1-CG1 4.25Å; F26-I146 HydrophobicContact CE2-CG2 3.65Å; F26-I146 HydrophobicContact CZ-CG2 4.17Å; T144-I146 HydrophobicContact CG2-CD1 4.21Å; T144-I146 HydrophobicContact CG2-CG1 3.85Å; I146-L148 HydrophobicContact CG2-CD2 4.24Å; I146-N169 WeakPolarHBondContact O-CA 3.48Å; I146-L170 HydrophobicContact CB-CB 4.25Å; I146-L170 PolarHBondContact N-O 2.87Å; I146-L170 PolarHBondContact O-N 2.89Å; I146-Y172 HydrophobicContact CD1-CD2 3.86Å; I146-Y172 HydrophobicContact CD1-CE2 3.81Å; I146-L186 HydrophobicContact CD1-CD2 3.63Å; I146-L188 HydrophobicContact CD1-CD1 3.78Å; I146-L188 HydrophobicContact CG2-CD1 3.84Å
147	H	93.4	Very high	91.4	Very high	60 Å²	60	49.9 Å²	49.9	28%	0.278	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	103.2	176.5	-62.7	-70.3	0	0	0	109.4	T23 I24 R25 F26 N169	T23-H147 VanDerWaalsContact CG2-CD2 3.43Å; T23-H147 WeakPolarHBondContact CG2-CD2 3.49Å; T23-H147 WeakPolarHBondContact CG2-NE2 3.32Å; I24-H147 PolarHBondContact O-N 3.46Å; R25-H147 HydrophobicContact CG-CB 4.18Å; F26-H147 WeakPolarHBondContact CD2-O 3.44Å; H147-N169 PolarHBondContact ND1-OD1 2.87Å
148	L	91.7	Very high	90.9	Very high	19 Å²	19	53.1 Å²	53.1	10%	0.099	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-75.9	149.1	172.8	-63.8	-180	0	0	0	111	F26 I146 L153 N168 L170 L188 F190	F26-L148 HydrophobicContact CD2-CD2 4.13Å; F26-L148 HydrophobicContact CE2-CD2 3.72Å; I146-L148 HydrophobicContact CG2-CD2 4.24Å; L148-L153 HydrophobicContact CD1-CB 4.27Å; L148-L153 HydrophobicContact CD1-CD1 3.91Å; L148-L153 HydrophobicContact CD1-CG 4.46Å; L148-N168 HydrophobicContact CB-CB 4.27Å; L148-N168 VanDerWaalsContact CB-O 3.31Å; L148-N168 WeakPolarHBondContact CB-O 3.34Å; L148-N168 PolarHBondContact N-O 3.39Å; L148-N168 WeakPolarHBondContact O-CB 3.48Å; L148-L170 HydrophobicContact CD1-CD1 3.26Å; L148-L170 HydrophobicContact CG-CD1 3.71Å; L148-L188 HydrophobicContact CD2-CD1 4.44Å; L148-F190 HydrophobicContact CD1-CB 4.35Å; L148-F190 HydrophobicContact CD1-CG 4.5Å; L148-F190 HydrophobicContact CD2-CB 4.47Å; L148-F190 HydrophobicContact CD2-CD1 3.6Å; L148-F190 HydrophobicContact CD2-CD2 4.05Å; L148-F190 HydrophobicContact CD2-CE1 3.7Å; L148-F190 HydrophobicContact CD2-CE2 4.14Å; L148-F190 HydrophobicContact CD2-CG 3.78Å; L148-F190 HydrophobicContact CD2-CZ 3.97Å
149	P	87.7	Confident	90.3	Very high	25 Å²	25	49.9 Å²	49.9	16%	0.162	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-60.9	168	164.3	31.6	-38.9	0	0	0	111	G151 N168 F190 Y192	P149-G151 PolarHBondContact O-N 2.85Å; P149-N168 PolarHBondContact O-ND2 2.9Å; P149-F190 HydrophobicContact CG-CD2 3.83Å; P149-F190 HydrophobicContact CG-CE2 3.65Å; P149-Y192 HydrophobicContact CB-CD2 3.44Å; P149-Y192 VanDerWaalsContact CB-CD2 3.44Å; P149-Y192 HydrophobicContact CB-CE2 3.44Å; P149-Y192 VanDerWaalsContact CB-CE2 3.44Å; P149-Y192 HydrophobicContact CG-CD2 3.22Å; P149-Y192 HydrophobicContact CG-CE2 3.54Å; P149-Y192 HydrophobicContact CG-CG 3.97Å
150	K	85.6	Confident	89.5	Confident	178 Å²	178	53.9 Å²	53.9	77%	0.774	30%	0.297	S	S	*	.	S	Bend	trans	-63	121.3	171.1	-69	-175.5	178.2	-177	0	109.6	N168	K150-N168 WeakPolarHBondContact CA-ND2 3.43Å
151	G	85.8	Confident	88.9	Confident	31 Å²	31	55.4 Å²	55.4	32%	0.32	30%	0.304	S	S	.	.	S	Bend	trans	161.5	178.1	176.1	0	0	0	0	0	112.9	P149 E191	P149-G151 PolarHBondContact O-N 2.85Å; G151-E191 WeakPolarHBondContact CA-OE2 3.46Å
152	Q	89.7	Confident	88.5	Confident	108 Å²	108	57 Å²	57	51%	0.505	32%	0.319	S	S	.	.			trans	-77.1	129	177.1	-173.7	176.9	2.5	0	0	112	L154 F190 E191	Q152-L154 HydrophobicContact CG-CD2 4.12Å; Q152-F190 CarbonylContact O-C 3.59Å; Q152-F190 WeakPolarHBondContact O-CA 3.31Å; Q152-E191 HydrophobicContact CB-CB 4.31Å; Q152-E191 PolarHBondContact N-OE2 2.88Å; Q152-E191 WeakPolarHBondContact O-CB 3.24Å; Q152-E191 PolarHBondContact O-N 3.38Å
153	L	91.5	Very high	88.2	Confident	42 Å²	42	57.8 Å²	57.8	22%	0.22	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	119.5	163.8	177.1	67	0	0	0	108.9	L148 H156 I165 L170 F190	L148-L153 HydrophobicContact CD1-CB 4.27Å; L148-L153 HydrophobicContact CD1-CD1 3.91Å; L148-L153 HydrophobicContact CD1-CG 4.46Å; L153-H156 HydrophobicContact CD1-CB 4.43Å; L153-H156 HydrophobicContact CD2-CB 4.26Å; L153-I165 HydrophobicContact CD2-CD1 4.27Å; L153-L170 HydrophobicContact CD2-CD1 4.26Å; L153-L170 HydrophobicContact CD2-CD2 3.79Å; L153-L170 HydrophobicContact CD2-CG 4.4Å; L153-F190 HydrophobicContact CD1-CB 4.05Å
154	L	89.8	Confident	88.1	Confident	70 Å²	70	60 Å²	60	37%	0.366	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-55.6	-179.6	-65.5	179.9	0	0	0	111.8	F124 Q152 H189	F124-L154 HydrophobicContact CB-CD1 4.4Å; F124-L154 HydrophobicContact CD1-CD1 3.29Å; F124-L154 HydrophobicContact CD1-CG 3.8Å; F124-L154 HydrophobicContact CD2-CD1 4.41Å; F124-L154 HydrophobicContact CE1-CD1 3.5Å; F124-L154 HydrophobicContact CE1-CD2 3.96Å; F124-L154 HydrophobicContact CE1-CG 3.74Å; F124-L154 HydrophobicContact CG-CD1 3.81Å; F124-L154 HydrophobicContact CZ-CD1 4.16Å; Q152-L154 HydrophobicContact CG-CD2 4.12Å; L154-H189 WeakPolarHBondContact CA-O 3.45Å; L154-H189 HydrophobicContact CB-CB 4.46Å; L154-H189 WeakPolarHBondContact CB-O 3.46Å; L154-H189 VanDerWaalsContact CD1-CE1 3.49Å; L154-H189 WeakPolarHBondContact CD1-CE1 3.44Å; L154-H189 PolarHBondContact N-O 3.18Å
155	T	90.5	Very high	87.8	Confident	77 Å²	77	63.3 Å²	63.3	47%	0.472	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	146.8	-179.9	64.3	0	0	0	0	110.6	H189	T155-H189 PolarHBondContact N-O 2.91Å; T155-H189 VanDerWaalsContact N-O 3.17Å; T155-H189 PolarHBondContact O-N 2.88Å; T155-H189 WeakPolarHBondContact OG1-CB 3.3Å
156	H	90.2	Very high	87.4	Confident	75 Å²	75	64.3 Å²	64.3	35%	0.347	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	149.5	175.1	62.2	-85.5	0	0	0	108.4	L153 A158 L170 V187 L188	L153-H156 HydrophobicContact CD1-CB 4.43Å; L153-H156 HydrophobicContact CD2-CB 4.26Å; H156-A158 PolarHBondContact O-N 2.97Å; H156-L170 HydrophobicContact CB-CD2 4.47Å; H156-V187 CarbonylContact C-O 3.55Å; H156-V187 WeakPolarHBondContact CA-O 3.37Å; H156-L188 HydrophobicContact CB-CD2 3.75Å
157	T	87.7	Confident	87	Confident	35 Å²	35	67.3 Å²	67.3	22%	0.215	40%	0.397	C	S	.	.			trans	-68.1	127	176.7	-60	0	0	0	0	110.7	T159 Y172 P185 V187	T157-T159 HydrophobicContact CG2-CG2 4.29Å; T157-T159 PolarHBondContact O-N 2.89Å; T157-Y172 PolarHBondContact O-OH 2.88Å; T157-P185 WeakPolarHBondContact CG2-O 3.48Å; T157-V187 PolarHBondContact N-O 2.95Å; T157-V187 PolarHBondContact OG1-N 2.76Å; T157-V187 PolarHBondContact OG1-O 2.89Å
158	A	82.8	Confident	86.8	Confident	86 Å²	86	67.3 Å²	67.3	71%	0.711	40%	0.399	S	S	*	.			trans	-77.9	106.2	166.5	0	0	0	0	0	108.9	H156	H156-A158 PolarHBondContact O-N 2.97Å
159	T	79.8	Confident	86.8	Confident	13 Å²	13	69.8 Å²	69.8	8%	0.08	41%	0.413	C	S	.	.			trans	-87.2	170.1	175.8	44.8	0	0	0	0	110.6	T131 T157 I161 Y172 Y175 E184	T131-T159 HydrophobicContact CG2-CG2 3.78Å; T157-T159 HydrophobicContact CG2-CG2 4.29Å; T157-T159 PolarHBondContact O-N 2.89Å; T159-I161 CarbonylContact O-C 3.59Å; T159-I161 PolarHBondContact O-N 3.41Å; T159-I161 VanDerWaalsContact O-N 3.1Å; T159-I161 PolarHBondContact OG1-O 3.46Å; T159-Y172 HydrophobicContact CG2-CD1 3.9Å; T159-Y172 HydrophobicContact CG2-CE1 3.89Å; T159-Y172 WeakPolarHBondContact OG1-CD1 3.25Å; T159-Y175 WeakPolarHBondContact CB-OH 3.42Å; T159-Y175 PolarHBondContact OG1-OH 3.39Å; T159-E184 HydrophobicContact CG2-CG 4.35Å
160	S	75.9	Confident	87	Confident	87 Å²	87	68.6 Å²	68.6	61%	0.608	41%	0.405	S	S	*	.	S	Bend	trans	-54.1	-33.6	-179.4	66.3	0	0	0	0	113.6
161	I	81.9	Confident	87.4	Confident	65 Å²	65	61.1 Å²	61.1	33%	0.333	37%	0.374	S	S	.	.	S	Bend	trans	-106	121.6	167.9	-58.2	175.5	0	0	0	106.3	T159 A174 Y175	T159-I161 CarbonylContact O-C 3.59Å; T159-I161 PolarHBondContact O-N 3.41Å; T159-I161 VanDerWaalsContact O-N 3.1Å; T159-I161 PolarHBondContact OG1-O 3.46Å; I161-A174 VanDerWaalsContact CD1-O 3.25Å; I161-A174 WeakPolarHBondContact CD1-O 3.42Å; I161-Y175 HydrophobicContact CB-CE1 3.97Å; I161-Y175 HydrophobicContact CD1-CD1 3.74Å; I161-Y175 HydrophobicContact CD1-CE1 3.98Å; I161-Y175 HydrophobicContact CG1-CD1 4.28Å; I161-Y175 HydrophobicContact CG1-CE1 4.06Å
162	P	84.6	Confident	87.7	Confident	100 Å²	100	59.7 Å²	59.7	65%	0.649	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-63.6	138.1	-179.6	25.8	-33.1	0	0	0	110.2
163	P	87.8	Confident	87.5	Confident	18 Å²	18	55.2 Å²	55.2	12%	0.117	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-69.1	145	179.8	27.6	-33.7	0	0	0	111.7	V171 Y172	P163-V171 CarbonylContact C-O 3.58Å; P163-V171 WeakPolarHBondContact CA-O 3.48Å; P163-V171 WeakPolarHBondContact CB-O 3.36Å; P163-Y172 HydrophobicContact CB-CD1 3.88Å; P163-Y172 HydrophobicContact CB-CD2 4.09Å; P163-Y172 HydrophobicContact CB-CE1 3.76Å; P163-Y172 HydrophobicContact CB-CE2 3.96Å; P163-Y172 HydrophobicContact CB-CG 4.05Å; P163-Y172 HydrophobicContact CG-CD1 4.36Å; P163-Y172 HydrophobicContact CG-CE1 3.8Å; P163-Y172 HydrophobicContact CG-CE2 4.48Å
164	V	89.6	Confident	87.4	Confident	80 Å²	80	55.8 Å²	55.8	49%	0.485	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	118.3	170.6	-178	0	0	0	0	108.5	V171	V164-V171 HydrophobicContact CB-CB 4.27Å; V164-V171 PolarHBondContact N-O 3.49Å; V164-V171 PolarHBondContact O-N 2.89Å
165	I	88.3	Confident	87.4	Confident	73 Å²	73	52.5 Å²	52.5	37%	0.374	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	110.6	-177.5	-52.8	177.1	0	0	0	108.9	L153 L170	L153-I165 HydrophobicContact CD2-CD1 4.27Å; I165-L170 HydrophobicContact CG1-CG 4.25Å; I165-L170 HydrophobicContact CG2-CG 4.42Å
166	N	86.9	Confident	87.4	Confident	108 Å²	108	55.2 Å²	55.2	58%	0.578	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	87	177	-74.5	-21.9	0	0	0	109.5	N168 N169	N166-N168 PolarHBondContact O-N 3.17Å; N166-N168 VanDerWaalsContact O-N 3.17Å; N166-N169 PolarHBondContact N-O 3.32Å; N166-N169 PolarHBondContact O-N 3.19Å
167	G	86.6	Confident	87.3	Confident	63 Å²	63	55.4 Å²	55.4	65%	0.649	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	-115.4	-174.7	0	0	0	0	0	111
168	N	88.2	Confident	87.5	Confident	60 Å²	60	57.2 Å²	57.2	32%	0.321	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-1.1	179.6	-57.9	-2.7	0	0	0	113.4	L148 P149 K150 N166	L148-N168 HydrophobicContact CB-CB 4.27Å; L148-N168 VanDerWaalsContact CB-O 3.31Å; L148-N168 WeakPolarHBondContact CB-O 3.34Å; L148-N168 PolarHBondContact N-O 3.39Å; L148-N168 WeakPolarHBondContact O-CB 3.48Å; P149-N168 PolarHBondContact O-ND2 2.9Å; K150-N168 WeakPolarHBondContact CA-ND2 3.43Å; N166-N168 PolarHBondContact O-N 3.17Å; N166-N168 VanDerWaalsContact O-N 3.17Å
169	N	92.5	Very high	87.9	Confident	72 Å²	72	56.9 Å²	56.9	39%	0.385	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119.5	179.2	-61.6	-39.8	0	0	0	109.1	I146 H147 N166	I146-N169 WeakPolarHBondContact O-CA 3.48Å; H147-N169 PolarHBondContact ND1-OD1 2.87Å; N166-N169 PolarHBondContact N-O 3.32Å; N166-N169 PolarHBondContact O-N 3.19Å
170	L	92.4	Very high	88.3	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.9	172.8	-73.1	76.9	0	0	0	109.4	I146 L148 L153 H156 I165 Y172 L188	I146-L170 HydrophobicContact CB-CB 4.25Å; I146-L170 PolarHBondContact N-O 2.87Å; I146-L170 PolarHBondContact O-N 2.89Å; L148-L170 HydrophobicContact CD1-CD1 3.26Å; L148-L170 HydrophobicContact CG-CD1 3.71Å; L153-L170 HydrophobicContact CD2-CD1 4.26Å; L153-L170 HydrophobicContact CD2-CD2 3.79Å; L153-L170 HydrophobicContact CD2-CG 4.4Å; H156-L170 HydrophobicContact CB-CD2 4.47Å; I165-L170 HydrophobicContact CG1-CG 4.25Å; I165-L170 HydrophobicContact CG2-CG 4.42Å; L170-Y172 HydrophobicContact CB-CE2 4.19Å; L170-Y172 HydrophobicContact CD2-CE2 4.09Å; L170-L188 HydrophobicContact CD2-CD2 4.1Å
171	V	93.1	Very high	89	Confident	21 Å²	21	58.3 Å²	58.3	13%	0.127	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	116.5	178.3	-173.3	0	0	0	0	109.2	L143 T144 Y145 P163 V164	L143-V171 HydrophobicContact CD1-CG1 4.25Å; L143-V171 HydrophobicContact CD2-CG1 3.52Å; L143-V171 HydrophobicContact CG-CG1 3.96Å; T144-V171 WeakPolarHBondContact O-CA 3.46Å; Y145-V171 HydrophobicContact CD1-CG1 4.32Å; Y145-V171 HydrophobicContact CD1-CG2 3.66Å; Y145-V171 HydrophobicContact CE1-CG1 4.06Å; Y145-V171 HydrophobicContact CE1-CG2 3.69Å; P163-V171 CarbonylContact C-O 3.58Å; P163-V171 WeakPolarHBondContact CA-O 3.48Å; P163-V171 WeakPolarHBondContact CB-O 3.36Å; V164-V171 HydrophobicContact CB-CB 4.27Å; V164-V171 PolarHBondContact N-O 3.49Å; V164-V171 PolarHBondContact O-N 2.89Å
172	Y	91.1	Very high	89.5	Confident	0 Å²	0	56 Å²	56	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.6	172.8	-73.4	-98.9	0	0	0	109.9	T131 T144 I146 T157 T159 P163 L170 L186 L188	T131-Y172 HydrophobicContact CG2-CD1 4.05Å; T131-Y172 HydrophobicContact CG2-CG 4.41Å; T144-Y172 PolarHBondContact N-O 3.35Å; T144-Y172 PolarHBondContact O-N 2.94Å; I146-Y172 HydrophobicContact CD1-CD2 3.86Å; I146-Y172 HydrophobicContact CD1-CE2 3.81Å; T157-Y172 PolarHBondContact O-OH 2.88Å; T159-Y172 HydrophobicContact CG2-CD1 3.9Å; T159-Y172 HydrophobicContact CG2-CE1 3.89Å; T159-Y172 WeakPolarHBondContact OG1-CD1 3.25Å; P163-Y172 HydrophobicContact CB-CD1 3.88Å; P163-Y172 HydrophobicContact CB-CD2 4.09Å; P163-Y172 HydrophobicContact CB-CE1 3.76Å; P163-Y172 HydrophobicContact CB-CE2 3.96Å; P163-Y172 HydrophobicContact CB-CG 4.05Å; P163-Y172 HydrophobicContact CG-CD1 4.36Å; P163-Y172 HydrophobicContact CG-CE1 3.8Å; P163-Y172 HydrophobicContact CG-CE2 4.48Å; L170-Y172 HydrophobicContact CB-CE2 4.19Å; L170-Y172 HydrophobicContact CD2-CE2 4.09Å; Y172-L186 HydrophobicContact CD1-CD1 4.44Å; Y172-L186 HydrophobicContact CD2-CD1 4.45Å; Y172-L186 HydrophobicContact CE1-CD1 3.8Å; Y172-L186 HydrophobicContact CE2-CD1 3.81Å; Y172-L186 VanDerWaalsContact CZ-CD1 3.44Å; Y172-L188 HydrophobicContact CE2-CD2 4.47Å; Y172-L188 WeakPolarHBondContact OH-CD2 3.13Å
173	G	87.2	Confident	89.7	Confident	14 Å²	14	56.6 Å²	56.6	14%	0.144	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	95.3	-169	-173.6	0	0	0	0	0	112.8
174	A	88.8	Confident	89.7	Confident	55 Å²	55	57.4 Å²	57.4	46%	0.455	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-68.6	133.7	10.8	0	0	0	0	0	113.4	Q142 I161	Q142-A174 WeakPolarHBondContact O-CA 3.31Å; I161-A174 VanDerWaalsContact CD1-O 3.25Å; I161-A174 WeakPolarHBondContact CD1-O 3.42Å
175	Y	90.3	Very high	89.8	Confident	0 Å²	0	58 Å²	58	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.3	170.1	-57.1	-77.9	0	0	0	109.4	T131 Y132 Q142 T159 I161	T131-Y175 HydrophobicContact CG2-CE2 3.62Å; T131-Y175 WeakPolarHBondContact CG2-OH 3.29Å; Y132-Y175 AromaticContact CD1-CD2 3.96Å; Y132-Y175 HydrophobicContact CD1-CD2 3.96Å; Y132-Y175 HydrophobicContact CD1-CE2 4.13Å; Y132-Y175 HydrophobicContact CD1-CG 4.24Å; Y132-Y175 AromaticContact CE1-CD1 3.81Å; Y132-Y175 HydrophobicContact CE1-CD1 3.81Å; Y132-Y175 AromaticContact CE1-CD2 3.84Å; Y132-Y175 HydrophobicContact CE1-CD2 3.84Å; Y132-Y175 AromaticContact CE1-CE1 3.88Å; Y132-Y175 HydrophobicContact CE1-CE1 3.88Å; Y132-Y175 AromaticContact CE1-CE2 3.9Å; Y132-Y175 HydrophobicContact CE1-CE2 3.9Å; Y132-Y175 AromaticContact CE1-CG 3.79Å; Y132-Y175 HydrophobicContact CE1-CG 3.79Å; Y132-Y175 AromaticContact CE1-CZ 3.93Å; Q142-Y175 HydrophobicContact CG-CD2 4.17Å; Q142-Y175 HydrophobicContact CG-CG 4.49Å; Q142-Y175 PolarHBondContact N-O 2.97Å; Q142-Y175 VanDerWaalsContact N-O 3.07Å; Q142-Y175 PolarHBondContact O-N 2.76Å; T159-Y175 WeakPolarHBondContact CB-OH 3.42Å; T159-Y175 PolarHBondContact OG1-OH 3.39Å; I161-Y175 HydrophobicContact CB-CE1 3.97Å; I161-Y175 HydrophobicContact CD1-CD1 3.74Å; I161-Y175 HydrophobicContact CD1-CE1 3.98Å; I161-Y175 HydrophobicContact CG1-CD1 4.28Å; I161-Y175 HydrophobicContact CG1-CE1 4.06Å
176	E	89.5	Confident	89.9	Confident	134 Å²	134	54.5 Å²	54.5	63%	0.626	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	143	179.7	-59.8	-176.8	175.5	0	0	111.4	D140 R178	D140-E176 CarbonylContact O-C 3.53Å; D140-E176 VanDerWaalsContact O-CA 3.28Å; D140-E176 WeakPolarHBondContact O-CA 3.42Å; E176-R178 PolarHBondContact O-NE 2.82Å; E176-R178 PolarHBondContact O-NH2 2.67Å
177	S	89.1	Confident	90.3	Very high	79 Å²	79	51.5 Å²	51.5	55%	0.552	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	44.8	67.7	169.2	-60.6	0	0	0	0	114.7	T139 D140	T139-S177 CarbonylContact O-C 3.59Å; T139-S177 WeakPolarHBondContact O-CA 3.32Å; D140-S177 PolarHBondContact O-N 2.83Å
178	R	90.2	Very high	90.6	Very high	74 Å²	74	48.5 Å²	48.5	28%	0.279	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	129.8	175.9	-66.5	-56.2	110.5	164.5	4.3	111.6	L138 T139 E176	L138-R178 WeakPolarHBondContact CD1-O 3.47Å; T139-R178 PolarHBondContact N-O 2.84Å; T139-R178 PolarHBondContact O-N 2.85Å; E176-R178 PolarHBondContact O-NE 2.82Å; E176-R178 PolarHBondContact O-NH2 2.67Å
179	P	91.9	Very high	90.9	Very high	79 Å²	79	47 Å²	47	51%	0.513	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-65.2	164.4	175.5	28.3	-34.2	0	0	0	111.9	S182	P179-S182 VanDerWaalsContact CD-OG 3.25Å; P179-S182 WeakPolarHBondContact CD-OG 3.45Å; P179-S182 WeakPolarHBondContact CG-OG 3.43Å; P179-S182 WeakPolarHBondContact O-CB 3.49Å; P179-S182 PolarHBondContact O-N 2.98Å; P179-S182 PolarHBondContact O-OG 3.45Å
180	A	89.3	Confident	91	Very high	43 Å²	43	43.7 Å²	43.7	36%	0.355	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	143.1	172.7	0	0	0	0	0	111.3	S135 P136 S182	S135-A180 WeakPolarHBondContact O-CA 3.24Å; P136-A180 VanDerWaalsContact O-CB 3.27Å; P136-A180 WeakPolarHBondContact O-CB 3.33Å; A180-S182 VanDerWaalsContact C-N 3.27Å; A180-S182 PolarHBondContact O-N 2.9Å
181	F	90.5	Very high	91	Very high	87 Å²	87	44.1 Å²	44.1	38%	0.382	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	31	178.7	-54.3	-68.9	0	0	0	115.3	V49 Y134 S135 P136	V49-F181 HydrophobicContact CB-CE1 4.34Å; V49-F181 HydrophobicContact CG1-CE1 4.29Å; V49-F181 HydrophobicContact CG2-CE1 4.07Å; Y134-F181 HydrophobicContact CD2-CD1 4.49Å; Y134-F181 AromaticContact CE1-CD1 3.91Å; Y134-F181 HydrophobicContact CE1-CD1 3.91Å; Y134-F181 HydrophobicContact CE1-CE1 4.36Å; Y134-F181 HydrophobicContact CE2-CB 3.83Å; Y134-F181 AromaticContact CE2-CD1 3.82Å; Y134-F181 HydrophobicContact CE2-CD1 3.82Å; Y134-F181 HydrophobicContact CE2-CG 4.34Å; Y134-F181 AromaticContact CZ-CD1 3.5Å; Y134-F181 VanDerWaalsContact CZ-CD1 3.5Å; S135-F181 PolarHBondContact O-N 2.85Å; P136-F181 HydrophobicContact CB-CE1 4.1Å; P136-F181 HydrophobicContact CB-CE2 4.05Å; P136-F181 HydrophobicContact CB-CZ 3.57Å
182	S	91.1	Very high	90.9	Very high	17 Å²	17	43.2 Å²	43.2	12%	0.119	25%	0.248	C	C	.	.			trans	-64.5	135	174.4	-67.6	0	0	0	0	112.2	N130 P179 A180	N130-S182 PolarHBondContact ND2-O 2.8Å; P179-S182 VanDerWaalsContact CD-OG 3.25Å; P179-S182 WeakPolarHBondContact CD-OG 3.45Å; P179-S182 WeakPolarHBondContact CG-OG 3.43Å; P179-S182 WeakPolarHBondContact O-CB 3.49Å; P179-S182 PolarHBondContact O-N 2.98Å; P179-S182 PolarHBondContact O-OG 3.45Å; A180-S182 VanDerWaalsContact C-N 3.27Å; A180-S182 PolarHBondContact O-N 2.9Å
183	M	88.8	Confident	90.7	Very high	111 Å²	111	46 Å²	46	55%	0.547	26%	0.258	S	S	.	.			trans	-135.7	132	179.6	-166.9	-177.1	-143.8	0	0	111.4	E51	E51-M183 WeakPolarHBondContact OE2-CE 3.34Å
184	E	89.3	Confident	90.6	Very high	36 Å²	36	48.4 Å²	48.4	17%	0.168	27%	0.27	C	S	.	.			trans	-139.6	126	167.7	-179.7	176	-155.1	0	0	108	N130 T131 Y132 T159 L186	N130-E184 CarbonylContact C-O 3.57Å; N130-E184 WeakPolarHBondContact CA-O 3.37Å; N130-E184 PolarHBondContact OD1-N 2.88Å; N130-E184 PolarHBondContact OD1-O 2.66Å; T131-E184 PolarHBondContact N-O 2.89Å; T131-E184 PolarHBondContact OG1-O 3.05Å; Y132-E184 HydrophobicContact CD2-CB 3.92Å; Y132-E184 HydrophobicContact CE1-CB 4.33Å; Y132-E184 VanDerWaalsContact CE1-OE2 3.28Å; Y132-E184 WeakPolarHBondContact CE1-OE2 3.37Å; Y132-E184 HydrophobicContact CE2-CB 3.51Å; Y132-E184 PolarHBondContact OH-OE2 3.3Å; T159-E184 HydrophobicContact CG2-CG 4.35Å; E184-L186 PolarHBondContact O-N 3.17Å
185	P	90.7	Very high	90.4	Very high	91 Å²	91	47.6 Å²	47.6	59%	0.591	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	127.2	-173.3	26.3	-34.3	0	0	0	111.6	T157	T157-P185 WeakPolarHBondContact CG2-O 3.48Å
186	L	91.6	Very high	90.3	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.5	172.8	176.4	64.7	0	0	0	108.9	F127 S128 G129 I146 Y172 E184 L188	F127-L186 HydrophobicContact CE1-CD2 4.21Å; S128-L186 CarbonylContact C-O 3.54Å; S128-L186 WeakPolarHBondContact CA-O 3.29Å; G129-L186 PolarHBondContact N-O 2.88Å; G129-L186 PolarHBondContact O-N 2.95Å; I146-L186 HydrophobicContact CD1-CD2 3.63Å; Y172-L186 HydrophobicContact CD1-CD1 4.44Å; Y172-L186 HydrophobicContact CD2-CD1 4.45Å; Y172-L186 HydrophobicContact CE1-CD1 3.8Å; Y172-L186 HydrophobicContact CE2-CD1 3.81Å; Y172-L186 VanDerWaalsContact CZ-CD1 3.44Å; E184-L186 PolarHBondContact O-N 3.17Å; L186-L188 HydrophobicContact CD1-CD2 4.06Å; L186-L188 HydrophobicContact CD1-CG 4.27Å; L186-L188 HydrophobicContact CG-CG 4.41Å
187	V	93.3	Very high	90.4	Very high	44 Å²	44	41.9 Å²	41.9	27%	0.267	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127	174	-177.5	0	0	0	0	108.3	K126 F127 H156 T157	K126-V187 HydrophobicContact CD-CG1 4.38Å; K126-V187 HydrophobicContact CG-CG1 4.03Å; F127-V187 WeakPolarHBondContact O-CA 3.16Å; H156-V187 CarbonylContact C-O 3.55Å; H156-V187 WeakPolarHBondContact CA-O 3.37Å; T157-V187 PolarHBondContact N-O 2.95Å; T157-V187 PolarHBondContact OG1-N 2.76Å; T157-V187 PolarHBondContact OG1-O 2.89Å
188	L	93.4	Very high	90.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135.4	175.3	-56.8	176	0	0	0	108.7	K126 F127 I146 L148 H156 L170 Y172 L186 F190	K126-L188 CarbonylContact C-O 3.3Å; K126-L188 VanDerWaalsContact CA-O 3.3Å; K126-L188 WeakPolarHBondContact CA-O 3.29Å; F127-L188 HydrophobicContact CB-CB 4.41Å; F127-L188 HydrophobicContact CD1-CD1 4.11Å; F127-L188 HydrophobicContact CD1-CG 4.42Å; F127-L188 PolarHBondContact N-O 2.89Å; F127-L188 PolarHBondContact O-N 2.81Å; I146-L188 HydrophobicContact CD1-CD1 3.78Å; I146-L188 HydrophobicContact CG2-CD1 3.84Å; L148-L188 HydrophobicContact CD2-CD1 4.44Å; H156-L188 HydrophobicContact CB-CD2 3.75Å; L170-L188 HydrophobicContact CD2-CD2 4.1Å; Y172-L188 HydrophobicContact CE2-CD2 4.47Å; Y172-L188 WeakPolarHBondContact OH-CD2 3.13Å; L186-L188 HydrophobicContact CD1-CD2 4.06Å; L186-L188 HydrophobicContact CD1-CG 4.27Å; L186-L188 HydrophobicContact CG-CG 4.41Å; L188-F190 HydrophobicContact CB-CD1 3.95Å; L188-F190 HydrophobicContact CB-CE1 4.14Å
189	H	94.6	Very high	91	Very high	30 Å²	30	34.8 Å²	34.8	14%	0.139	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	113.4	171.9	-173.7	-158.9	0	0	0	108.4	R113 F124 V125 L154 T155	R113-H189 PolarHBondContact O-NE2 3.19Å; F124-H189 WeakPolarHBondContact CB-NE2 3.47Å; V125-H189 WeakPolarHBondContact O-CA 3.19Å; V125-H189 PolarHBondContact O-CD2 2.82Å; L154-H189 WeakPolarHBondContact CA-O 3.45Å; L154-H189 HydrophobicContact CB-CB 4.46Å; L154-H189 WeakPolarHBondContact CB-O 3.46Å; L154-H189 VanDerWaalsContact CD1-CE1 3.49Å; L154-H189 WeakPolarHBondContact CD1-CE1 3.44Å; L154-H189 PolarHBondContact N-O 3.18Å; T155-H189 PolarHBondContact N-O 2.91Å; T155-H189 VanDerWaalsContact N-O 3.17Å; T155-H189 PolarHBondContact O-N 2.88Å; T155-H189 WeakPolarHBondContact OG1-CB 3.3Å
190	F	94.1	Very high	91.2	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.009	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	159.1	-173.1	57.7	-88.8	0	0	0	111.3	F26 F124 V125 F127 L148 P149 Q152 L153 L188 Y192	F26-F190 HydrophobicContact CD1-CZ 4.22Å; F26-F190 HydrophobicContact CD2-CE2 4.45Å; F26-F190 AromaticContact CD2-CZ 3.89Å; F26-F190 HydrophobicContact CD2-CZ 3.89Å; F26-F190 HydrophobicContact CE1-CZ 4.27Å; F26-F190 HydrophobicContact CE2-CE1 4.21Å; F26-F190 AromaticContact CE2-CZ 3.95Å; F26-F190 HydrophobicContact CE2-CZ 3.95Å; F26-F190 HydrophobicContact CG-CZ 4.03Å; F26-F190 HydrophobicContact CZ-CE1 4.22Å; F26-F190 HydrophobicContact CZ-CZ 4.13Å; F124-F190 CarbonylContact C-O 3.53Å; F124-F190 VanDerWaalsContact CA-O 3.31Å; F124-F190 WeakPolarHBondContact CA-O 3.36Å; V125-F190 HydrophobicContact CG2-CD2 3.94Å; V125-F190 HydrophobicContact CG2-CE1 4.13Å; V125-F190 HydrophobicContact CG2-CE2 3.46Å; V125-F190 VanDerWaalsContact CG2-CE2 3.46Å; V125-F190 HydrophobicContact CG2-CG 4.46Å; V125-F190 HydrophobicContact CG2-CZ 3.58Å; V125-F190 PolarHBondContact N-O 2.79Å; V125-F190 PolarHBondContact O-N 2.9Å; V125-F190 VanDerWaalsContact O-N 3.09Å; F127-F190 HydrophobicContact CB-CE1 4.14Å; L148-F190 HydrophobicContact CD1-CB 4.35Å; L148-F190 HydrophobicContact CD1-CG 4.5Å; L148-F190 HydrophobicContact CD2-CB 4.47Å; L148-F190 HydrophobicContact CD2-CD1 3.6Å; L148-F190 HydrophobicContact CD2-CD2 4.05Å; L148-F190 HydrophobicContact CD2-CE1 3.7Å; L148-F190 HydrophobicContact CD2-CE2 4.14Å; L148-F190 HydrophobicContact CD2-CG 3.78Å; L148-F190 HydrophobicContact CD2-CZ 3.97Å; P149-F190 HydrophobicContact CG-CD2 3.83Å; P149-F190 HydrophobicContact CG-CE2 3.65Å; Q152-F190 CarbonylContact O-C 3.59Å; Q152-F190 WeakPolarHBondContact O-CA 3.31Å; L153-F190 HydrophobicContact CD1-CB 4.05Å; L188-F190 HydrophobicContact CB-CD1 3.95Å; L188-F190 HydrophobicContact CB-CE1 4.14Å; F190-Y192 HydrophobicContact CE2-CG 4.24Å
191	E	93.3	Very high	91.6	Very high	8 Å²	8	33.3 Å²	33.3	4%	0.037	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	129.9	176.7	-167.4	179.1	-125.7	0	0	110	K122 Q123 F124 G151 Q152 Y193	K122-E191 WeakPolarHBondContact CD-OE1 3.24Å; K122-E191 WeakPolarHBondContact CE-OE1 3.25Å; K122-E191 IonicContact NZ-OE1 3.88Å; K122-E191 PolarHBondContact NZ-OE1 2.89Å; Q123-E191 WeakPolarHBondContact O-CA 3.47Å; F124-E191 VanDerWaalsContact CD1-CA 3.47Å; F124-E191 HydrophobicContact CD1-CB 3.74Å; F124-E191 HydrophobicContact CD1-CG 4.25Å; F124-E191 HydrophobicContact CE1-CB 3.61Å; F124-E191 HydrophobicContact CE1-CG 3.91Å; F124-E191 HydrophobicContact CZ-CG 4.38Å; G151-E191 WeakPolarHBondContact CA-OE2 3.46Å; Q152-E191 HydrophobicContact CB-CB 4.31Å; Q152-E191 PolarHBondContact N-OE2 2.88Å; Q152-E191 WeakPolarHBondContact O-CB 3.24Å; Q152-E191 PolarHBondContact O-N 3.38Å; E191-Y193 HydrophobicContact CG-CD2 4.4Å; E191-Y193 HydrophobicContact CG-CE1 4.16Å; E191-Y193 HydrophobicContact CG-CE2 3.66Å; E191-Y193 PolarHBondContact OE1-OH 2.89Å; E191-Y193 WeakPolarHBondContact OE2-CE2 3.49Å; E191-Y193 PolarHBondContact OE2-OH 2.8Å
192	Y	90.8	Very high	91.9	Very high	3 Å²	3	29.2 Å²	29.2	1%	0.012	16%	0.16	C	C	.	.			trans	-143.3	106.5	-178.5	-165.5	-154	0	0	0	112.1	F26 K27 G28 L110 Q123 V125 P149 F190 V194 F196	F26-Y192 PolarHBondContact O-OH 2.89Å; K27-Y192 PolarHBondContact N-OH 2.76Å; G28-Y192 PolarHBondContact N-OH 3.34Å; G28-Y192 VanDerWaalsContact O-CE1 3.24Å; G28-Y192 WeakPolarHBondContact O-CE1 3.28Å; G28-Y192 PolarHBondContact O-OH 3.3Å; L110-Y192 HydrophobicContact CD1-CD1 4.44Å; L110-Y192 HydrophobicContact CD1-CE1 3.94Å; Q123-Y192 WeakPolarHBondContact CB-O 3.04Å; Q123-Y192 PolarHBondContact O-N 2.76Å; V125-Y192 HydrophobicContact CG1-CD1 4.26Å; V125-Y192 HydrophobicContact CG2-CD1 3.95Å; V125-Y192 HydrophobicContact CG2-CG 4.24Å; P149-Y192 HydrophobicContact CB-CD2 3.44Å; P149-Y192 VanDerWaalsContact CB-CD2 3.44Å; P149-Y192 HydrophobicContact CB-CE2 3.44Å; P149-Y192 VanDerWaalsContact CB-CE2 3.44Å; P149-Y192 HydrophobicContact CG-CD2 3.22Å; P149-Y192 HydrophobicContact CG-CE2 3.54Å; P149-Y192 HydrophobicContact CG-CG 3.97Å; F190-Y192 HydrophobicContact CE2-CG 4.24Å; Y192-V194 HydrophobicContact CD2-CB 4.15Å; Y192-V194 HydrophobicContact CD2-CG2 4.03Å; Y192-V194 HydrophobicContact CE1-CB 4.49Å; Y192-V194 HydrophobicContact CE2-CB 3.63Å; Y192-V194 HydrophobicContact CE2-CG2 3.44Å; Y192-V194 VanDerWaalsContact CE2-CG2 3.44Å; Y192-F196 HydrophobicContact CD1-CD1 4.49Å; Y192-F196 AromaticContact CD1-CE1 3.24Å; Y192-F196 HydrophobicContact CD1-CE1 3.24Å; Y192-F196 AromaticContact CD1-CZ 3.53Å; Y192-F196 HydrophobicContact CD1-CZ 3.53Å; Y192-F196 HydrophobicContact CE1-CD1 4.45Å; Y192-F196 AromaticContact CE1-CE1 3.33Å; Y192-F196 HydrophobicContact CE1-CE1 3.33Å; Y192-F196 AromaticContact CE1-CZ 3.74Å; Y192-F196 HydrophobicContact CE1-CZ 3.74Å; Y192-F196 HydrophobicContact CG-CE1 4.31Å
193	Y	86.2	Confident	92.3	Very high	58 Å²	58	31.1 Å²	31.1	23%	0.227	17%	0.171	C	C	.	.			trans	-86.2	-14.7	-175.7	-56.7	-79.9	0	0	0	114.2	K122 E191 Q245	K122-Y193 HydrophobicContact CD-CE1 4.33Å; E191-Y193 HydrophobicContact CG-CD2 4.4Å; E191-Y193 HydrophobicContact CG-CE1 4.16Å; E191-Y193 HydrophobicContact CG-CE2 3.66Å; E191-Y193 PolarHBondContact OE1-OH 2.89Å; E191-Y193 WeakPolarHBondContact OE2-CE2 3.49Å; E191-Y193 PolarHBondContact OE2-OH 2.8Å; Y193-Q245 HydrophobicContact CD1-CB 4.35Å; Y193-Q245 CarbonylContact O-C 3.44Å
194	V	87	Confident	92.7	Very high	64 Å²	64	25.9 Å²	25.9	39%	0.388	15%	0.145	S	C	.	.	S	Bend	trans	-68.4	129.2	-175.8	-178	0	0	0	0	108.8	Y192 F196	Y192-V194 HydrophobicContact CD2-CB 4.15Å; Y192-V194 HydrophobicContact CD2-CG2 4.03Å; Y192-V194 HydrophobicContact CE1-CB 4.49Å; Y192-V194 HydrophobicContact CE2-CB 3.63Å; Y192-V194 HydrophobicContact CE2-CG2 3.44Å; Y192-V194 VanDerWaalsContact CE2-CG2 3.44Å; V194-F196 VanDerWaalsContact O-CD1 3.25Å; V194-F196 WeakPolarHBondContact O-CD1 3.36Å
195	P	83.2	Confident	93.1	Very high	39 Å²	39	26 Å²	26	25%	0.253	15%	0.146	S	C	.	.			trans	-65.1	140.8	-177.8	23.9	-33.5	0	0	0	112.1	L197 V248	P195-L197 PolarHBondContact O-N 3.11Å; P195-V248 HydrophobicContact CB-CG2 3.36Å; P195-V248 HydrophobicContact CG-CG2 3.79Å
196	F	88.2	Confident	93.4	Very high	5 Å²	5	21.6 Å²	21.6	2%	0.022	12%	0.118	C	C	.	.			trans	-93.7	77.8	-175.6	-83.5	31.4	0	0	0	109	L110 V125 Y192 V194 N224 T225 G226	L110-F196 HydrophobicContact CB-CE2 3.65Å; L110-F196 HydrophobicContact CB-CZ 3.83Å; L110-F196 HydrophobicContact CD1-CE2 4.38Å; L110-F196 HydrophobicContact CD1-CZ 3.84Å; L110-F196 HydrophobicContact CG-CZ 4.49Å; V125-F196 HydrophobicContact CB-CZ 4.49Å; V125-F196 HydrophobicContact CG1-CE1 4.36Å; V125-F196 HydrophobicContact CG1-CE2 4.17Å; V125-F196 HydrophobicContact CG1-CZ 3.65Å; Y192-F196 HydrophobicContact CD1-CD1 4.49Å; Y192-F196 AromaticContact CD1-CE1 3.24Å; Y192-F196 HydrophobicContact CD1-CE1 3.24Å; Y192-F196 AromaticContact CD1-CZ 3.53Å; Y192-F196 HydrophobicContact CD1-CZ 3.53Å; Y192-F196 HydrophobicContact CE1-CD1 4.45Å; Y192-F196 AromaticContact CE1-CE1 3.33Å; Y192-F196 HydrophobicContact CE1-CE1 3.33Å; Y192-F196 AromaticContact CE1-CZ 3.74Å; Y192-F196 HydrophobicContact CE1-CZ 3.74Å; Y192-F196 HydrophobicContact CG-CE1 4.31Å; V194-F196 VanDerWaalsContact O-CD1 3.25Å; V194-F196 WeakPolarHBondContact O-CD1 3.36Å; F196-N224 CarbonylContact O-C 3.54Å; F196-N224 WeakPolarHBondContact O-CA 3.36Å; F196-N224 PolarHBondContact O-OD1 3.25Å; F196-T225 PolarHBondContact O-N 3.26Å; F196-T225 PolarHBondContact O-OG1 2.84Å; F196-G226 VanDerWaalsContact CB-N 3.34Å
197	L	93	Very high	93.7	Very high	9 Å²	9	24.1 Å²	24.1	5%	0.047	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	130.3	179.8	-154.7	65.5	0	0	0	110.9	S29 P195 I222 V248 L251 L293 Y331	S29-L197 PolarHBondContact OG-O 2.81Å; P195-L197 PolarHBondContact O-N 3.11Å; L197-I222 HydrophobicContact CD1-CG2 3.13Å; L197-I222 HydrophobicContact CD2-CG2 3.81Å; L197-I222 HydrophobicContact CG-CG2 3.4Å; L197-V248 HydrophobicContact CD1-CG2 4.01Å; L197-L251 HydrophobicContact CD2-CD1 4.46Å; L197-L251 HydrophobicContact CD2-CD2 3.22Å; L197-L251 HydrophobicContact CD2-CG 4.47Å; L197-L293 HydrophobicContact CD1-CD1 4.15Å; L197-Y331 VanDerWaalsContact C-OH 3.3Å; L197-Y331 HydrophobicContact CB-CE1 4.48Å; L197-Y331 HydrophobicContact CB-CE2 3.86Å; L197-Y331 HydrophobicContact CD2-CD1 3.74Å; L197-Y331 HydrophobicContact CD2-CD2 4.13Å; L197-Y331 HydrophobicContact CD2-CE1 3.64Å; L197-Y331 HydrophobicContact CD2-CE2 4.01Å; L197-Y331 HydrophobicContact CD2-CG 4Å; L197-Y331 HydrophobicContact CG-CE1 4.15Å; L197-Y331 HydrophobicContact CG-CE2 4.37Å; L197-Y331 PolarHBondContact O-OH 2.9Å
198	T	94.9	Very high	93.8	Very high	3 Å²	3	22 Å²	22	2%	0.018	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	125.4	174.8	-61.4	0	0	0	0	108.8	T200 V223 T225 F335	T198-T200 PolarHBondContact O-N 2.75Å; T198-V223 PolarHBondContact N-O 2.83Å; T198-V223 PolarHBondContact O-N 2.76Å; T198-T225 HydrophobicContact CG2-CG2 4.46Å; T198-T225 PolarHBondContact OG1-OG1 2.85Å; T198-F335 HydrophobicContact CG2-CD1 3.51Å; T198-F335 HydrophobicContact CG2-CE1 3.48Å; T198-F335 VanDerWaalsContact CG2-CE1 3.48Å; T198-F335 HydrophobicContact CG2-CG 4.46Å; T198-F335 HydrophobicContact CG2-CZ 4.41Å; T198-F335 WeakPolarHBondContact OG1-CD1 3.36Å
199	V	96.5	Very high	93.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	111.4	167.3	-168.9	0	0	0	0	107.2	M202 L220 E221 I222 Y331 F335 I336 R337	V199-M202 HydrophobicContact CG1-CB 3.95Å; V199-L220 HydrophobicContact CG1-CB 4.26Å; V199-L220 HydrophobicContact CG1-CD2 4.17Å; V199-L220 HydrophobicContact CG2-CD2 4.45Å; V199-E221 CarbonylContact C-O 3.55Å; V199-I222 HydrophobicContact CG1-CG1 4.41Å; V199-I222 HydrophobicContact CG2-CD1 4.16Å; V199-I222 HydrophobicContact CG2-CG1 4.13Å; V199-Y331 HydrophobicContact CG2-CE1 3.69Å; V199-F335 PolarHBondContact N-O 3.38Å; V199-I336 HydrophobicContact CB-CB 4.29Å; V199-I336 HydrophobicContact CB-CG1 3.86Å; V199-I336 HydrophobicContact CB-CG2 4.35Å; V199-I336 HydrophobicContact CG1-CG1 4.47Å; V199-I336 HydrophobicContact CG1-CG2 4.48Å; V199-I336 HydrophobicContact CG2-CG1 3.91Å; V199-I336 WeakPolarHBondContact O-CA 3.49Å; V199-R337 PolarHBondContact O-N 3.2Å
200	T	96.4	Very high	93.8	Very high	16 Å²	16	23.1 Å²	23.1	10%	0.098	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-52.8	-177.7	49.3	0	0	0	0	111.3	T198 E221 V223 N338	T198-T200 PolarHBondContact O-N 2.75Å; T200-E221 PolarHBondContact N-O 3.39Å; T200-E221 WeakPolarHBondContact OG1-CB 3.46Å; T200-E221 WeakPolarHBondContact OG1-CG 3.44Å; T200-E221 PolarHBondContact OG1-O 2.96Å; T200-V223 HydrophobicContact CG2-CB 4.18Å; T200-V223 HydrophobicContact CG2-CG2 3.46Å; T200-V223 VanDerWaalsContact CG2-CG2 3.46Å; T200-N338 PolarHBondContact O-N 2.64Å
201	D	97.3	Very high	93.7	Very high	75 Å²	75	29.9 Å²	29.9	40%	0.401	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	130	175.9	-63.8	-59.4	0	0	0	109.3	E221 N338	D201-E221 PolarHBondContact O-N 3.5Å; D201-N338 WeakPolarHBondContact OD1-CB 3.37Å; D201-N338 PolarHBondContact OD1-ND2 2.98Å
202	M	97.3	Very high	93.5	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127.4	174.7	-177.7	171.9	-178.9	0	0	109.2	V199 E218 T219 L220 V327 V330 I336 N338 L339 T340	V199-M202 HydrophobicContact CG1-CB 3.95Å; M202-E218 HydrophobicContact CE-CB 4.14Å; M202-E218 HydrophobicContact CE-CG 3.91Å; M202-E218 VanDerWaalsContact CE-OE1 3.23Å; M202-E218 WeakPolarHBondContact CE-OE1 3.34Å; M202-E218 WeakPolarHBondContact CE-OE2 3.4Å; M202-T219 WeakPolarHBondContact CA-O 2.82Å; M202-L220 HydrophobicContact CE-CD2 4.25Å; M202-L220 HydrophobicContact CG-CD2 4.32Å; M202-L220 HydrophobicContact CG-CG 4.17Å; M202-L220 HydrophobicContact SD-CD2 4.07Å; M202-V327 HydrophobicContact SD-CG2 4.45Å; M202-V330 HydrophobicContact CE-CG2 3.93Å; M202-V330 HydrophobicContact SD-CG2 4.1Å; M202-I336 HydrophobicContact CB-CG2 3.97Å; M202-I336 HydrophobicContact SD-CD1 3.74Å; M202-I336 HydrophobicContact SD-CG1 4.37Å; M202-N338 PolarHBondContact N-O 3.25Å; M202-L339 HydrophobicContact CB-CG 4.48Å; M202-L339 HydrophobicContact CG-CD1 4.23Å; M202-L339 CarbonylContact O-C 3.57Å; M202-L339 WeakPolarHBondContact O-CA 3.23Å; M202-L339 HydrophobicContact SD-CD1 3.77Å; M202-T340 PolarHBondContact O-N 2.94Å
203	T	97.8	Very high	93.7	Very high	56 Å²	56	34.2 Å²	34.2	34%	0.344	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	117.4	169.1	-57.8	0	0	0	0	108.2	E218 T219 T340	T203-E218 CarbonylContact O-C 3.54Å; T203-E218 WeakPolarHBondContact O-CA 3.48Å; T203-T219 PolarHBondContact N-O 3.22Å; T203-T219 PolarHBondContact O-N 3.15Å; T203-T340 WeakPolarHBondContact CA-O 3.3Å
204	R	98	Very high	94.2	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	114.2	174.7	179.6	174.9	-172.2	137	-5.3	108.6	I206 V216 E218 D328 T340 L341 K342	R204-I206 HydrophobicContact CG-CD1 4.49Å; R204-I206 HydrophobicContact CG-CG1 4.15Å; R204-V216 HydrophobicContact CG-CG1 4.38Å; R204-E218 HydrophobicContact CB-CG 4.2Å; R204-E218 WeakPolarHBondContact CD-OE1 3.38Å; R204-E218 HydrophobicContact CG-CG 3.93Å; R204-E218 IonicContact CZ-OE1 3.51Å; R204-E218 VanDerWaalsContact CZ-OE1 3.24Å; R204-E218 IonicContact NE-OE1 3.25Å; R204-E218 PolarHBondContact NE-OE1 3.34Å; R204-E218 IonicContact NH1-OE1 3.77Å; R204-E218 PolarHBondContact NH1-OE1 2.89Å; R204-D328 IonicContact CZ-OD2 3.36Å; R204-D328 IonicContact NH1-OD2 3.41Å; R204-D328 PolarHBondContact NH1-OD2 2.86Å; R204-D328 IonicContact NH2-OD2 2.66Å; R204-D328 PolarHBondContact NH2-OD2 3.42Å; R204-T340 PolarHBondContact N-O 3.09Å; R204-L341 HydrophobicContact CB-CD1 4.12Å; R204-L341 HydrophobicContact CG-CD1 3.96Å; R204-L341 CarbonylContact O-C 3.59Å; R204-L341 WeakPolarHBondContact O-CA 3.31Å; R204-K342 PolarHBondContact O-N 2.76Å
205	L	97.7	Very high	94.7	Very high	38 Å²	38	29.7 Å²	29.7	20%	0.199	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	121.8	177.2	-175	153.2	0	0	0	108.5	E207 V216 E217 K342 I344	L205-E207 HydrophobicContact CD2-CB 4.15Å; L205-V216 CarbonylContact O-C 3.57Å; L205-V216 WeakPolarHBondContact O-CA 3.42Å; L205-E217 HydrophobicContact CB-CB 4.49Å; L205-E217 PolarHBondContact N-O 2.91Å; L205-E217 PolarHBondContact O-N 3.01Å; L205-K342 CarbonylContact C-O 3.56Å; L205-K342 WeakPolarHBondContact CA-O 3.49Å; L205-I344 HydrophobicContact CD1-CD1 3.94Å; L205-I344 HydrophobicContact CD2-CD1 3.8Å; L205-I344 HydrophobicContact CG-CD1 3.89Å; L205-I344 HydrophobicContact CG-CG1 4.42Å
206	I	97.7	Very high	95.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	109	176.6	-57.3	178.7	0	0	0	106.9	R204 I214 A215 V216 M324 L341 K342 I343 I344 F395	R204-I206 HydrophobicContact CG-CD1 4.49Å; R204-I206 HydrophobicContact CG-CG1 4.15Å; I206-I214 HydrophobicContact CG2-CG2 3.62Å; I206-A215 WeakPolarHBondContact CA-O 3.44Å; I206-V216 HydrophobicContact CG1-CG1 4.43Å; I206-V216 HydrophobicContact CG1-CG2 4.4Å; I206-M324 HydrophobicContact CD1-CE 4.46Å; I206-M324 HydrophobicContact CD1-SD 4.18Å; I206-M324 HydrophobicContact CG2-SD 3.76Å; I206-L341 HydrophobicContact CD1-CD1 3.83Å; I206-L341 HydrophobicContact CG1-CD1 4.28Å; I206-K342 PolarHBondContact N-O 2.73Å; I206-I343 CarbonylContact O-C 3.57Å; I206-I343 WeakPolarHBondContact O-CA 3.24Å; I206-I344 PolarHBondContact O-N 3.07Å; I206-F395 HydrophobicContact CD1-CE1 3.97Å; I206-F395 HydrophobicContact CD1-CZ 3.88Å
207	E	97.1	Very high	95.8	Very high	53 Å²	53	29.6 Å²	29.6	25%	0.248	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	118.3	175.3	-176.8	176.5	178.6	0	0	110.4	L205 I214 A215 I344 R377	L205-E207 HydrophobicContact CD2-CB 4.15Å; E207-I214 CarbonylContact O-C 3.49Å; E207-I214 WeakPolarHBondContact O-CA 3.28Å; E207-A215 HydrophobicContact CB-CB 4.4Å; E207-A215 PolarHBondContact N-O 2.77Å; E207-A215 PolarHBondContact O-N 2.86Å; E207-I344 HydrophobicContact CB-CB 4.3Å; E207-I344 HydrophobicContact CB-CD1 4.39Å; E207-I344 HydrophobicContact CG-CB 4.25Å; E207-I344 HydrophobicContact CG-CG2 4.34Å; E207-R377 IonicContact OE1-CZ 3.58Å; E207-R377 IonicContact OE1-NH1 3.68Å; E207-R377 PolarHBondContact OE1-NH1 2.81Å
208	V	96.4	Very high	96.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.8	178.1	-178.3	0	0	0	0	109.3	I214 L313 L322 I344 L345 P346	V208-I214 HydrophobicContact CG1-CG1 4.48Å; V208-L313 HydrophobicContact CG1-CD2 4.45Å; V208-L322 HydrophobicContact CG2-CD1 4.23Å; V208-L322 HydrophobicContact CG2-CD2 3.8Å; V208-I344 PolarHBondContact N-O 2.99Å; V208-L345 HydrophobicContact CG2-CD2 4.43Å; V208-P346 WeakPolarHBondContact O-CG 3.31Å
209	S	94	Very high	96.2	Very high	19 Å²	19	31.1 Å²	31.1	13%	0.133	17%	0.171	C	C	.	.			trans	-119.3	120.3	173.1	-179.6	0	0	0	0	111	W211 G212 N213	S209-W211 PolarHBondContact O-N 2.81Å; S209-W211 VanDerWaalsContact O-N 3.12Å; S209-W211 WeakPolarHBondContact OG-CB 3.5Å; S209-W211 PolarHBondContact OG-N 2.81Å; S209-G212 PolarHBondContact O-N 2.91Å; S209-G212 VanDerWaalsContact O-N 3.12Å; S209-N213 WeakPolarHBondContact CB-O 3.06Å; S209-N213 PolarHBondContact N-O 3.33Å
210	H	92.7	Very high	96.2	Very high	34 Å²	34	31.2 Å²	31.2	16%	0.157	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-5.3	172.8	-75.9	-54.8	0	0	0	113.5	G212 F320 P346 Y399 F401 I406	H210-G212 VanDerWaalsContact C-N 3.25Å; H210-G212 PolarHBondContact O-N 3.42Å; H210-F320 AromaticContact CE1-CD1 3.42Å; H210-F320 VanDerWaalsContact CE1-CD1 3.42Å; H210-F320 WeakPolarHBondContact CE1-CD1 3.31Å; H210-F320 AromaticContact CE1-CE1 3.46Å; H210-F320 VanDerWaalsContact CE1-CE1 3.46Å; H210-F320 WeakPolarHBondContact CE1-CE1 3.38Å; H210-F320 AromaticContact CE1-CG 3.71Å; H210-F320 AromaticContact CE1-CZ 3.8Å; H210-F320 AromaticContact ND1-CE1 3.79Å; H210-P346 VanDerWaalsContact CD2-CG 3.41Å; H210-P346 WeakPolarHBondContact CD2-CG 3.12Å; H210-Y399 PolarHBondContact CE1-OH 2.81Å; H210-Y399 VanDerWaalsContact CE1-OH 3.28Å; H210-Y399 AromaticContact NE2-CE2 3.55Å; H210-Y399 AromaticContact NE2-CZ 3.98Å; H210-Y399 PolarHBondContact NE2-OH 2.97Å; H210-F401 HydrophobicContact CB-CE1 4.33Å; H210-F401 AromaticContact CD2-CD1 3.27Å; H210-F401 WeakPolarHBondContact CD2-CD1 3.4Å; H210-F401 AromaticContact CD2-CE1 3.41Å; H210-F401 VanDerWaalsContact CD2-CE1 3.41Å; H210-F401 WeakPolarHBondContact CD2-CE1 3.27Å; H210-F401 AromaticContact CD2-CG 3.59Å; H210-F401 AromaticContact CD2-CZ 3.86Å; H210-F401 AromaticContact NE2-CD1 3.47Å; H210-F401 WeakPolarHBondContact NE2-CD1 3.46Å; H210-F401 AromaticContact NE2-CG 3.5Å; H210-I406 HydrophobicContact CB-CD1 3.92Å
211	W	92.1	Very high	96.2	Very high	144 Å²	144	31.6 Å²	31.6	55%	0.545	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-15	169.4	-69	102.5	0	0	0	113.5	S209 I406 E409 P410	S209-W211 PolarHBondContact O-N 2.81Å; S209-W211 VanDerWaalsContact O-N 3.12Å; S209-W211 WeakPolarHBondContact OG-CB 3.5Å; S209-W211 PolarHBondContact OG-N 2.81Å; W211-I406 HydrophobicContact CD2-CD1 3.77Å; W211-I406 HydrophobicContact CD2-CG1 4.21Å; W211-I406 HydrophobicContact CE3-CD1 4.26Å; W211-I406 HydrophobicContact CG-CD1 4.01Å; W211-I406 HydrophobicContact CZ2-CD1 4.23Å; W211-I406 HydrophobicContact CZ2-CG1 3.82Å; W211-E409 PolarHBondContact NE1-OE2 3.31Å; W211-P410 HydrophobicContact CH2-CG 4.46Å
212	G	89.7	Confident	96.2	Very high	42 Å²	42	28 Å²	28	43%	0.433	15%	0.153	S	C	.	.	S	Bend	trans	140	-4	164.8	0	0	0	0	0	117.3	S209 H210 A309	S209-G212 PolarHBondContact O-N 2.91Å; S209-G212 VanDerWaalsContact O-N 3.12Å; H210-G212 VanDerWaalsContact C-N 3.25Å; H210-G212 PolarHBondContact O-N 3.42Å; G212-A309 WeakPolarHBondContact O-CB 3.42Å; G212-A309 PolarHBondContact O-N 3.37Å
213	N	94	Very high	96.1	Very high	61 Å²	61	29.1 Å²	29.1	33%	0.326	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	156.1	-179.7	66.4	-34.5	0	0	0	112.7	S209 I307	S209-N213 WeakPolarHBondContact CB-O 3.06Å; S209-N213 PolarHBondContact N-O 3.33Å; N213-I307 WeakPolarHBondContact CA-O 3.47Å
214	I	97	Very high	96	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.9	166.3	-60.6	166.4	0	0	0	106.2	I206 E207 V208 V216 I307 A309 F312 L313 L322 M324	I206-I214 HydrophobicContact CG2-CG2 3.62Å; E207-I214 CarbonylContact O-C 3.49Å; E207-I214 WeakPolarHBondContact O-CA 3.28Å; V208-I214 HydrophobicContact CG1-CG1 4.48Å; I214-V216 HydrophobicContact CG2-CG2 4.42Å; I214-I307 PolarHBondContact N-O 2.89Å; I214-I307 PolarHBondContact O-N 3.21Å; I214-A309 HydrophobicContact CD1-CB 4.36Å; I214-A309 HydrophobicContact CG1-CB 4.13Å; I214-F312 HydrophobicContact CD1-CB 4.02Å; I214-L313 HydrophobicContact CD1-CB 4.47Å; I214-L322 HydrophobicContact CD1-CD1 3.75Å; I214-M324 HydrophobicContact CD1-SD 4.47Å; I214-M324 HydrophobicContact CG2-CE 4.45Å; I214-M324 HydrophobicContact CG2-SD 4.03Å
215	A	97.4	Very high	95.7	Very high	27 Å²	27	28.6 Å²	28.6	22%	0.223	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.3	176.9	0	0	0	0	0	109.1	I206 E207 N306	I206-A215 WeakPolarHBondContact CA-O 3.44Å; E207-A215 HydrophobicContact CB-CB 4.4Å; E207-A215 PolarHBondContact N-O 2.77Å; E207-A215 PolarHBondContact O-N 2.86Å; A215-N306 WeakPolarHBondContact CB-OD1 3.49Å
216	V	97.7	Very high	95.5	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124	175.9	-175.9	0	0	0	0	108.2	R204 L205 I206 I214 E218 G304 Y305 I307 M324	R204-V216 HydrophobicContact CG-CG1 4.38Å; L205-V216 CarbonylContact O-C 3.57Å; L205-V216 WeakPolarHBondContact O-CA 3.42Å; I206-V216 HydrophobicContact CG1-CG1 4.43Å; I206-V216 HydrophobicContact CG1-CG2 4.4Å; I214-V216 HydrophobicContact CG2-CG2 4.42Å; V216-E218 HydrophobicContact CG1-CG 4.29Å; V216-G304 CarbonylContact O-C 3.6Å; V216-G304 WeakPolarHBondContact O-CA 3.36Å; V216-Y305 HydrophobicContact CB-CD1 4.5Å; V216-Y305 HydrophobicContact CB-CD2 4.43Å; V216-Y305 HydrophobicContact CB-CE1 4.04Å; V216-Y305 HydrophobicContact CB-CE2 3.99Å; V216-Y305 HydrophobicContact CG1-CE1 3.99Å; V216-Y305 HydrophobicContact CG2-CE2 4.17Å; V216-Y305 PolarHBondContact N-O 3.09Å; V216-Y305 PolarHBondContact O-N 2.67Å; V216-I307 HydrophobicContact CG2-CD1 4.45Å; V216-M324 HydrophobicContact CG2-CE 3.86Å
217	E	97.8	Very high	95.3	Very high	41 Å²	41	27.1 Å²	27.1	19%	0.192	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.9	172.6	-179.5	168.1	98	0	0	109.6	L205 Y263 R265 T302	L205-E217 HydrophobicContact CB-CB 4.49Å; L205-E217 PolarHBondContact N-O 2.91Å; L205-E217 PolarHBondContact O-N 3.01Å; E217-Y263 WeakPolarHBondContact OE2-CE2 3.44Å; E217-Y263 PolarHBondContact OE2-OH 2.79Å; E217-R265 IonicContact OE1-NH2 3.81Å; E217-R265 PolarHBondContact OE1-NH2 3.14Å; E217-R265 IonicContact OE2-CZ 3.21Å; E217-R265 IonicContact OE2-NE 3.2Å; E217-R265 IonicContact OE2-NH2 3.5Å; E217-R265 PolarHBondContact OE2-NH2 2.87Å; E217-T302 VanDerWaalsContact CD-CG2 3.48Å; E217-T302 HydrophobicContact CG-CG2 3.36Å
218	E	97.7	Very high	95.2	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.009	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	119.2	177.3	-62	-175.8	151.3	0	0	109.9	M202 T203 R204 V216 L220 T302 I303	M202-E218 HydrophobicContact CE-CB 4.14Å; M202-E218 HydrophobicContact CE-CG 3.91Å; M202-E218 VanDerWaalsContact CE-OE1 3.23Å; M202-E218 WeakPolarHBondContact CE-OE1 3.34Å; M202-E218 WeakPolarHBondContact CE-OE2 3.4Å; T203-E218 CarbonylContact O-C 3.54Å; T203-E218 WeakPolarHBondContact O-CA 3.48Å; R204-E218 HydrophobicContact CB-CG 4.2Å; R204-E218 WeakPolarHBondContact CD-OE1 3.38Å; R204-E218 HydrophobicContact CG-CG 3.93Å; R204-E218 IonicContact CZ-OE1 3.51Å; R204-E218 VanDerWaalsContact CZ-OE1 3.24Å; R204-E218 IonicContact NE-OE1 3.25Å; R204-E218 PolarHBondContact NE-OE1 3.34Å; R204-E218 IonicContact NH1-OE1 3.77Å; R204-E218 PolarHBondContact NH1-OE1 2.89Å; V216-E218 HydrophobicContact CG1-CG 4.29Å; E218-L220 HydrophobicContact CB-CD1 3.83Å; E218-L220 WeakPolarHBondContact O-CD1 3.44Å; E218-T302 CarbonylContact O-C 3.51Å; E218-T302 VanDerWaalsContact O-CA 3.24Å; E218-T302 WeakPolarHBondContact O-CA 3.14Å; E218-I303 HydrophobicContact CB-CG2 3.94Å; E218-I303 PolarHBondContact N-O 2.88Å; E218-I303 PolarHBondContact O-N 2.82Å
219	T	97.7	Very high	95.1	Very high	42 Å²	42	31.9 Å²	31.9	26%	0.258	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.3	170.4	-57.2	0	0	0	0	109	M202 T203 R300 T302	M202-T219 WeakPolarHBondContact CA-O 2.82Å; T203-T219 PolarHBondContact N-O 3.22Å; T203-T219 PolarHBondContact O-N 3.15Å; T219-R300 HydrophobicContact CG2-CG 4.37Å; T219-T302 PolarHBondContact OG1-OG1 2.92Å; T219-T302 VanDerWaalsContact OG1-OG1 3.06Å
220	L	97.1	Very high	95.1	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.5	-174.9	-58.6	96.8	0	0	0	110.8	V199 M202 E218 I222 R300 Y301 I303 V330	V199-L220 HydrophobicContact CG1-CB 4.26Å; V199-L220 HydrophobicContact CG1-CD2 4.17Å; V199-L220 HydrophobicContact CG2-CD2 4.45Å; M202-L220 HydrophobicContact CE-CD2 4.25Å; M202-L220 HydrophobicContact CG-CD2 4.32Å; M202-L220 HydrophobicContact CG-CG 4.17Å; M202-L220 HydrophobicContact SD-CD2 4.07Å; E218-L220 HydrophobicContact CB-CD1 3.83Å; E218-L220 WeakPolarHBondContact O-CD1 3.44Å; L220-I222 HydrophobicContact CB-CD1 4.38Å; L220-I222 HydrophobicContact CB-CG1 4.04Å; L220-I222 HydrophobicContact CD2-CD1 4.39Å; L220-R300 VanDerWaalsContact O-CA 3.27Å; L220-R300 WeakPolarHBondContact O-CA 3.38Å; L220-Y301 HydrophobicContact CD1-CD2 4.27Å; L220-Y301 HydrophobicContact CD1-CE2 3.69Å; L220-Y301 PolarHBondContact N-O 3.16Å; L220-Y301 PolarHBondContact O-N 3.06Å; L220-Y301 VanDerWaalsContact O-N 3.09Å; L220-I303 HydrophobicContact CD1-CG2 4.04Å; L220-V330 HydrophobicContact CD2-CB 4.25Å; L220-V330 HydrophobicContact CD2-CG1 3.39Å; L220-V330 HydrophobicContact CD2-CG2 3.78Å
221	E	97.1	Very high	95.1	Very high	24 Å²	24	38.9 Å²	38.9	11%	0.112	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	107.7	164.3	-173.4	167.7	174.9	0	0	109.8	V199 T200 D201 K298 R300	V199-E221 CarbonylContact C-O 3.55Å; T200-E221 PolarHBondContact N-O 3.39Å; T200-E221 WeakPolarHBondContact OG1-CB 3.46Å; T200-E221 WeakPolarHBondContact OG1-CG 3.44Å; T200-E221 PolarHBondContact OG1-O 2.96Å; D201-E221 PolarHBondContact O-N 3.5Å; E221-K298 IonicContact OE1-NZ 3.18Å; E221-K298 PolarHBondContact OE1-NZ 3.34Å; E221-R300 IonicContact OE2-CZ 2.76Å; E221-R300 IonicContact OE2-NE 2.81Å; E221-R300 IonicContact OE2-NH2 2.97Å; E221-R300 PolarHBondContact OE2-NH2 3.29Å
222	I	95.6	Very high	95.1	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	133.2	-173.6	-58.9	-160.7	0	0	0	110.2	L197 V199 L220 L251 L293 K298 T299 Y301 V330	L197-I222 HydrophobicContact CD1-CG2 3.13Å; L197-I222 HydrophobicContact CD2-CG2 3.81Å; L197-I222 HydrophobicContact CG-CG2 3.4Å; V199-I222 HydrophobicContact CG1-CG1 4.41Å; V199-I222 HydrophobicContact CG2-CD1 4.16Å; V199-I222 HydrophobicContact CG2-CG1 4.13Å; L220-I222 HydrophobicContact CB-CD1 4.38Å; L220-I222 HydrophobicContact CB-CG1 4.04Å; L220-I222 HydrophobicContact CD2-CD1 4.39Å; I222-L251 HydrophobicContact CD1-CD1 3.91Å; I222-L293 HydrophobicContact CG2-CD1 4.33Å; I222-K298 CarbonylContact O-C 3.5Å; I222-K298 VanDerWaalsContact O-CA 3.26Å; I222-K298 WeakPolarHBondContact O-CA 3.38Å; I222-T299 HydrophobicContact CB-CG2 4.19Å; I222-T299 PolarHBondContact N-O 2.6Å; I222-T299 PolarHBondContact O-N 3.22Å; I222-Y301 HydrophobicContact CD1-CE1 3.59Å; I222-Y301 WeakPolarHBondContact CD1-OH 3.35Å; I222-Y301 HydrophobicContact CG1-CE1 4.07Å; I222-V330 HydrophobicContact CD1-CG1 4.5Å
223	V	95.8	Very high	95.4	Very high	25 Å²	25	38 Å²	38	15%	0.152	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.2	179	-174	0	0	0	0	110	T198 T200 T225 K298	T198-V223 PolarHBondContact N-O 2.83Å; T198-V223 PolarHBondContact O-N 2.76Å; T200-V223 HydrophobicContact CG2-CB 4.18Å; T200-V223 HydrophobicContact CG2-CG2 3.46Å; T200-V223 VanDerWaalsContact CG2-CG2 3.46Å; V223-T225 HydrophobicContact CB-CG2 4.34Å; V223-T225 HydrophobicContact CG1-CG2 4.18Å; V223-T225 PolarHBondContact O-N 2.82Å; V223-K298 HydrophobicContact CB-CB 4.45Å; V223-K298 HydrophobicContact CG2-CB 3.72Å
224	N	95	Very high	95.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	98.2	164.9	-173.9	-7.2	0	0	0	109	F196 G226 V246 L293 M294 G296 W297	F196-N224 CarbonylContact O-C 3.54Å; F196-N224 WeakPolarHBondContact O-CA 3.36Å; F196-N224 PolarHBondContact O-OD1 3.25Å; N224-G226 PolarHBondContact O-N 2.95Å; N224-G226 PolarHBondContact OD1-N 2.9Å; N224-G226 VanDerWaalsContact OD1-N 3.11Å; N224-V246 PolarHBondContact ND2-O 3.12Å; N224-V246 VanDerWaalsContact ND2-O 3.12Å; N224-L293 HydrophobicContact CB-CB 4.15Å; N224-L293 PolarHBondContact ND2-O 3.2Å; N224-M294 WeakPolarHBondContact CB-O 3.41Å; N224-G296 PolarHBondContact O-N 3.26Å; N224-W297 PolarHBondContact N-O 2.94Å
225	T	93.4	Very high	95.2	Very high	47 Å²	47	42.9 Å²	42.9	29%	0.288	23%	0.232	S	C	.	.			trans	-78.8	13.7	179.7	49.7	0	0	0	0	114.5	F196 T198 V223	F196-T225 PolarHBondContact O-N 3.26Å; F196-T225 PolarHBondContact O-OG1 2.84Å; T198-T225 HydrophobicContact CG2-CG2 4.46Å; T198-T225 PolarHBondContact OG1-OG1 2.85Å; V223-T225 HydrophobicContact CB-CG2 4.34Å; V223-T225 HydrophobicContact CG1-CG2 4.18Å; V223-T225 PolarHBondContact O-N 2.82Å
226	G	92.3	Very high	95.1	Very high	6 Å²	6	46.9 Å²	46.9	6%	0.062	25%	0.25	C	C	.	.	S	Bend	trans	-71.1	-169.2	175	0	0	0	0	0	112.7	F196 N224 K228	F196-G226 VanDerWaalsContact CB-N 3.34Å; N224-G226 PolarHBondContact O-N 2.95Å; N224-G226 PolarHBondContact OD1-N 2.9Å; N224-G226 VanDerWaalsContact OD1-N 3.11Å; G226-K228 PolarHBondContact O-N 3.32Å
227	A	93.7	Very high	94.9	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.008	27%	0.265	C	S	.	.	S	Bend	trans	-60.9	126.5	174.6	0	0	0	0	0	109.8	P112 A115 I117 Q123 G295	P112-A227 HydrophobicContact CB-CB 3.81Å; A115-A227 CarbonylContact O-C 3.58Å; A115-A227 WeakPolarHBondContact O-CA 3.12Å; I117-A227 HydrophobicContact CB-CB 4.29Å; I117-A227 HydrophobicContact CD1-CB 3.8Å; I117-A227 HydrophobicContact CG1-CB 3.65Å; I117-A227 HydrophobicContact CG2-CB 3.83Å; Q123-A227 HydrophobicContact CG-CB 4.25Å; A227-G295 WeakPolarHBondContact O-CA 3.33Å
228	K	94.9	Very high	94.7	Very high	122 Å²	122	48.1 Å²	48.1	53%	0.53	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	143.2	-174.6	-66.3	-179.7	179.7	176.7	0	111.1	A115 E116 I117 G226 R230 G295	A115-K228 PolarHBondContact O-N 2.98Å; E116-K228 CarbonylContact C-O 3.59Å; E116-K228 WeakPolarHBondContact CA-O 3.45Å; E116-K228 HydrophobicContact CG-CB 4.25Å; I117-K228 PolarHBondContact N-O 3.03Å; G226-K228 PolarHBondContact O-N 3.32Å; K228-R230 PolarHBondContact O-N 3.45Å; K228-G295 WeakPolarHBondContact CA-O 3.44Å
229	L	94.4	Very high	94.4	Very high	30 Å²	30	52.4 Å²	52.4	16%	0.157	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	120.8	173.4	179.7	65.4	0	0	0	110.2	I117 Q119 F233 M294 G295 W297	I117-L229 CarbonylContact O-C 3.55Å; I117-L229 WeakPolarHBondContact O-CA 3.35Å; Q119-L229 HydrophobicContact CB-CD1 3.94Å; L229-F233 HydrophobicContact CD2-CB 3.9Å; L229-F233 HydrophobicContact CD2-CD2 4.46Å; L229-M294 HydrophobicContact CB-CB 4.17Å; L229-M294 HydrophobicContact CD1-CE 4.11Å; L229-M294 HydrophobicContact CD2-CB 4.22Å; L229-M294 HydrophobicContact CD2-CG 4.24Å; L229-G295 PolarHBondContact N-O 3.29Å; L229-W297 HydrophobicContact CD2-CZ2 3.94Å
230	R	94.2	Very high	94.2	Very high	140 Å²	140	59 Å²	59	53%	0.528	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-98	130.7	171.7	-167	177.1	176.4	-170.2	-1.8	110.2	E116 I117 H118 K228	E116-R230 HydrophobicContact CB-CB 4.02Å; I117-R230 PolarHBondContact O-N 3.01Å; H118-R230 PolarHBondContact ND1-O 3.3Å; K228-R230 PolarHBondContact O-N 3.45Å
231	G	93	Very high	93.9	Very high	60 Å²	60	60.6 Å²	60.6	62%	0.619	32%	0.318	S	S	*	.	S	Bend	trans	84.2	-161.6	179.9	0	0	0	0	0	113.2
232	S	92.4	Very high	93.6	Very high	105 Å²	105	62.7 Å²	62.7	73%	0.734	33%	0.329	S	S	*	.			trans	-81.4	143.1	-176.6	51.8	0	0	0	0	112.3
233	F	94.6	Very high	93.1	Very high	64 Å²	64	63.4 Å²	63.4	28%	0.281	34%	0.337	S	S	.	.			trans	-81	126.6	165.4	175.8	-103.5	0	0	0	110.2	L229 R235 F238 P292 M294 W297	L229-F233 HydrophobicContact CD2-CB 3.9Å; L229-F233 HydrophobicContact CD2-CD2 4.46Å; F233-R235 HydrophobicContact CE1-CB 4.13Å; F233-F238 HydrophobicContact CE2-CB 4.01Å; F233-F238 AromaticContact CE2-CD2 3.71Å; F233-F238 HydrophobicContact CE2-CD2 3.71Å; F233-F238 HydrophobicContact CE2-CE2 4.38Å; F233-F238 AromaticContact CE2-CG 3.95Å; F233-F238 HydrophobicContact CE2-CG 3.95Å; F233-F238 HydrophobicContact CZ-CB 3.87Å; F233-F238 HydrophobicContact CZ-CD1 4.44Å; F233-F238 HydrophobicContact CZ-CD2 4.1Å; F233-F238 AromaticContact CZ-CG 3.88Å; F233-F238 HydrophobicContact CZ-CG 3.88Å; F233-P292 HydrophobicContact CE2-CG 4.35Å; F233-P292 HydrophobicContact CZ-CG 3.97Å; F233-M294 HydrophobicContact CD2-CG 4.02Å; F233-M294 HydrophobicContact CE2-CG 4.17Å; F233-M294 HydrophobicContact CE2-SD 4.35Å; F233-W297 HydrophobicContact CB-CH2 4.02Å; F233-W297 HydrophobicContact CB-CZ2 3.99Å; F233-W297 HydrophobicContact CD1-CH2 4.06Å; F233-W297 HydrophobicContact CD2-CH2 4.02Å; F233-W297 HydrophobicContact CD2-CZ2 4.47Å; F233-W297 AromaticContact CG-CH2 3.75Å; F233-W297 HydrophobicContact CG-CH2 3.75Å; F233-W297 HydrophobicContact CG-CZ2 4.21Å
234	S	94.4	Very high	92.7	Very high	33 Å²	33	65.6 Å²	65.6	23%	0.231	35%	0.346	C	S	.	.			trans	-108.1	112.5	175.1	173.1	0	0	0	0	109.3	Q119 L236 D237 F238	Q119-S234 PolarHBondContact NE2-O 2.81Å; Q119-S234 PolarHBondContact OE1-O 2.83Å; S234-L236 VanDerWaalsContact C-N 3.29Å; S234-L236 PolarHBondContact O-N 3.36Å; S234-D237 WeakPolarHBondContact CB-OD2 3.03Å; S234-D237 PolarHBondContact O-N 3.15Å; S234-D237 VanDerWaalsContact OG-CG 3.22Å; S234-D237 PolarHBondContact OG-N 2.78Å; S234-D237 PolarHBondContact OG-OD2 3.21Å; S234-F238 WeakPolarHBondContact O-CB 3.42Å; S234-F238 PolarHBondContact O-N 2.91Å
235	R	93.8	Very high	92.2	Very high	129 Å²	129	71.6 Å²	71.6	49%	0.487	37%	0.374	S	S	.	.	H	α-helix	trans	-64.7	-36.2	176.5	-178.1	62.9	-164.7	-166.3	5.5	111.8	F233 F238 D239	F233-R235 HydrophobicContact CE1-CB 4.13Å; R235-F238 WeakPolarHBondContact O-CB 3.45Å; R235-F238 PolarHBondContact O-N 2.83Å; R235-D239 IonicContact CZ-OD1 3.83Å; R235-D239 IonicContact CZ-OD2 2.82Å; R235-D239 IonicContact NE-OD1 3.7Å; R235-D239 PolarHBondContact NE-OD1 2.8Å; R235-D239 IonicContact NE-OD2 3.94Å; R235-D239 PolarHBondContact NE-OD2 2.91Å; R235-D239 IonicContact NH2-OD1 2.8Å; R235-D239 PolarHBondContact NH2-OD1 2.9Å; R235-D239 IonicContact NH2-OD2 3.72Å; R235-D239 PolarHBondContact O-N 3.43Å
236	L	94.2	Very high	91.8	Very high	111 Å²	111	69.7 Å²	69.7	58%	0.581	36%	0.362	S	S	*	.	H	α-helix	trans	-59.1	-51.7	177.3	-178.4	67.8	0	0	0	111.1	S234 F238 D239 Y240	S234-L236 VanDerWaalsContact C-N 3.29Å; S234-L236 PolarHBondContact O-N 3.36Å; L236-F238 VanDerWaalsContact C-N 3.26Å; L236-F238 PolarHBondContact O-N 2.89Å; L236-D239 PolarHBondContact O-N 2.98Å; L236-Y240 HydrophobicContact CD1-CD2 4.26Å; L236-Y240 HydrophobicContact CD1-CE2 3.69Å; L236-Y240 HydrophobicContact CG-CD2 4.12Å; L236-Y240 HydrophobicContact CG-CE2 3.86Å; L236-Y240 VanDerWaalsContact O-CD2 3.22Å; L236-Y240 WeakPolarHBondContact O-CD2 3.44Å; L236-Y240 PolarHBondContact O-N 3.23Å; L236-Y240 VanDerWaalsContact O-N 3.1Å
237	D	93.6	Very high	91.8	Very high	63 Å²	63	69.7 Å²	69.7	34%	0.337	36%	0.362	S	S	.	.	H	α-helix	trans	-63.4	-37.6	178.7	-63.6	-35.9	0	0	0	111	S234 D239 Y240 G241 I242	S234-D237 WeakPolarHBondContact CB-OD2 3.03Å; S234-D237 PolarHBondContact O-N 3.15Å; S234-D237 VanDerWaalsContact OG-CG 3.22Å; S234-D237 PolarHBondContact OG-N 2.78Å; S234-D237 PolarHBondContact OG-OD2 3.21Å; D237-D239 PolarHBondContact O-N 3.2Å; D237-Y240 PolarHBondContact O-N 2.94Å; D237-G241 PolarHBondContact O-N 3.42Å; D237-I242 HydrophobicContact CB-CB 4.11Å; D237-I242 HydrophobicContact CB-CD1 4.11Å; D237-I242 VanDerWaalsContact O-CB 3.26Å; D237-I242 WeakPolarHBondContact O-CB 3.5Å; D237-I242 PolarHBondContact O-N 3.42Å
238	F	93.3	Very high	91.7	Very high	6 Å²	6	70 Å²	70	3%	0.026	36%	0.363	C	S	.	.	H	α-helix	trans	-61.4	-43.8	176.3	-166.4	-97.3	0	0	0	112.2	F233 S234 R235 L236 Y240 G241 I242 Q244 A247 N249 P292 M294	F233-F238 HydrophobicContact CE2-CB 4.01Å; F233-F238 AromaticContact CE2-CD2 3.71Å; F233-F238 HydrophobicContact CE2-CD2 3.71Å; F233-F238 HydrophobicContact CE2-CE2 4.38Å; F233-F238 AromaticContact CE2-CG 3.95Å; F233-F238 HydrophobicContact CE2-CG 3.95Å; F233-F238 HydrophobicContact CZ-CB 3.87Å; F233-F238 HydrophobicContact CZ-CD1 4.44Å; F233-F238 HydrophobicContact CZ-CD2 4.1Å; F233-F238 AromaticContact CZ-CG 3.88Å; F233-F238 HydrophobicContact CZ-CG 3.88Å; S234-F238 WeakPolarHBondContact O-CB 3.42Å; S234-F238 PolarHBondContact O-N 2.91Å; R235-F238 WeakPolarHBondContact O-CB 3.45Å; R235-F238 PolarHBondContact O-N 2.83Å; L236-F238 VanDerWaalsContact C-N 3.26Å; L236-F238 PolarHBondContact O-N 2.89Å; F238-Y240 VanDerWaalsContact C-N 3.28Å; F238-Y240 PolarHBondContact O-N 2.83Å; F238-G241 WeakPolarHBondContact O-CA 3.45Å; F238-G241 PolarHBondContact O-N 2.79Å; F238-I242 WeakPolarHBondContact CA-O 3.37Å; F238-Q244 HydrophobicContact CD1-CG 4.32Å; F238-Q244 HydrophobicContact CD2-CG 4.14Å; F238-Q244 HydrophobicContact CE1-CG 4.05Å; F238-Q244 HydrophobicContact CE2-CB 4.45Å; F238-Q244 HydrophobicContact CE2-CG 3.88Å; F238-Q244 HydrophobicContact CG-CG 4.37Å; F238-Q244 HydrophobicContact CZ-CG 3.84Å; F238-Q244 WeakPolarHBondContact O-CG 3.32Å; F238-Q244 PolarHBondContact O-NE2 2.86Å; F238-A247 HydrophobicContact CE2-CB 3.74Å; F238-A247 HydrophobicContact CZ-CB 4.08Å; F238-N249 VanDerWaalsContact CZ-OD1 3.27Å; F238-N249 WeakPolarHBondContact CZ-OD1 3.44Å; F238-P292 HydrophobicContact CD1-CG 4.4Å; F238-P292 HydrophobicContact CE1-CB 3.92Å; F238-P292 HydrophobicContact CE1-CG 3.84Å; F238-P292 HydrophobicContact CE2-CB 4.03Å; F238-P292 HydrophobicContact CE2-CG 4.13Å; F238-P292 HydrophobicContact CZ-CB 3.39Å; F238-P292 HydrophobicContact CZ-CG 3.66Å; F238-M294 HydrophobicContact CD2-SD 4.47Å; F238-M294 HydrophobicContact CE2-SD 4.09Å
239	D	92.4	Very high	91.5	Very high	91 Å²	91	67.1 Å²	67.1	49%	0.487	35%	0.354	S	S	.	.	H	α-helix	trans	-69.1	-26.8	178.1	-70.9	-29.7	0	0	0	112	R235 L236 D237 G241	R235-D239 IonicContact CZ-OD1 3.83Å; R235-D239 IonicContact CZ-OD2 2.82Å; R235-D239 IonicContact NE-OD1 3.7Å; R235-D239 PolarHBondContact NE-OD1 2.8Å; R235-D239 IonicContact NE-OD2 3.94Å; R235-D239 PolarHBondContact NE-OD2 2.91Å; R235-D239 IonicContact NH2-OD1 2.8Å; R235-D239 PolarHBondContact NH2-OD1 2.9Å; R235-D239 IonicContact NH2-OD2 3.72Å; R235-D239 PolarHBondContact O-N 3.43Å; L236-D239 PolarHBondContact O-N 2.98Å; D237-D239 PolarHBondContact O-N 3.2Å; D239-G241 PolarHBondContact O-N 2.7Å
240	Y	93.4	Very high	91.4	Very high	182 Å²	182	68.4 Å²	68.4	71%	0.714	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-1	167.3	-77.9	-64.2	0	0	0	114.4	L236 D237 F238	L236-Y240 HydrophobicContact CD1-CD2 4.26Å; L236-Y240 HydrophobicContact CD1-CE2 3.69Å; L236-Y240 HydrophobicContact CG-CD2 4.12Å; L236-Y240 HydrophobicContact CG-CE2 3.86Å; L236-Y240 VanDerWaalsContact O-CD2 3.22Å; L236-Y240 WeakPolarHBondContact O-CD2 3.44Å; L236-Y240 PolarHBondContact O-N 3.23Å; L236-Y240 VanDerWaalsContact O-N 3.1Å; D237-Y240 PolarHBondContact O-N 2.94Å; F238-Y240 VanDerWaalsContact C-N 3.28Å; F238-Y240 PolarHBondContact O-N 2.83Å
241	G	90.9	Very high	91.4	Very high	34 Å²	34	62 Å²	62	35%	0.351	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	-1.3	178.4	0	0	0	0	0	114.8	D237 F238 D239 G243	D237-G241 PolarHBondContact O-N 3.42Å; F238-G241 WeakPolarHBondContact O-CA 3.45Å; F238-G241 PolarHBondContact O-N 2.79Å; D239-G241 PolarHBondContact O-N 2.7Å; G241-G243 PolarHBondContact O-N 2.77Å
242	I	89.8	Confident	91.5	Very high	67 Å²	67	65.3 Å²	65.3	34%	0.344	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	121.4	-177.3	-55.4	175.4	0	0	0	109.7	Q119 A120 D237 F238 Q244	Q119-I242 PolarHBondContact NE2-O 3.21Å; A120-I242 HydrophobicContact CB-CG2 3.55Å; D237-I242 HydrophobicContact CB-CB 4.11Å; D237-I242 HydrophobicContact CB-CD1 4.11Å; D237-I242 VanDerWaalsContact O-CB 3.26Å; D237-I242 WeakPolarHBondContact O-CB 3.5Å; D237-I242 PolarHBondContact O-N 3.42Å; F238-I242 WeakPolarHBondContact CA-O 3.37Å; I242-Q244 VanDerWaalsContact C-N 3.28Å; I242-Q244 PolarHBondContact O-N 2.83Å
243	G	85.5	Confident	91.6	Very high	16 Å²	16	60.5 Å²	60.5	17%	0.165	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	83	-6.4	-179.4	0	0	0	0	0	115.2	Q119 G241 Q245 V246 A247	Q119-G243 WeakPolarHBondContact O-CA 3.42Å; Q119-G243 PolarHBondContact O-N 2.81Å; G241-G243 PolarHBondContact O-N 2.77Å; G243-Q245 PolarHBondContact O-N 3.02Å; G243-V246 PolarHBondContact O-N 2.83Å; G243-A247 PolarHBondContact O-N 3.41Å
244	Q	86.8	Confident	91.6	Very high	70 Å²	70	59.7 Å²	59.7	33%	0.327	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-29.3	-179	-71.9	-169.1	0.4	0	0	113.6	F238 I242 V246 A247	F238-Q244 HydrophobicContact CD1-CG 4.32Å; F238-Q244 HydrophobicContact CD2-CG 4.14Å; F238-Q244 HydrophobicContact CE1-CG 4.05Å; F238-Q244 HydrophobicContact CE2-CB 4.45Å; F238-Q244 HydrophobicContact CE2-CG 3.88Å; F238-Q244 HydrophobicContact CG-CG 4.37Å; F238-Q244 HydrophobicContact CZ-CG 3.84Å; F238-Q244 WeakPolarHBondContact O-CG 3.32Å; F238-Q244 PolarHBondContact O-NE2 2.86Å; I242-Q244 VanDerWaalsContact C-N 3.28Å; I242-Q244 PolarHBondContact O-N 2.83Å; Q244-V246 PolarHBondContact O-N 3.1Å; Q244-A247 PolarHBondContact O-N 3.34Å
245	Q	84.3	Confident	91.7	Very high	127 Å²	127	58.2 Å²	58.2	59%	0.593	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-38.3	-175.8	-66.5	-178.1	-9	0	0	112.6	Y193 G243	Y193-Q245 HydrophobicContact CD1-CB 4.35Å; Y193-Q245 CarbonylContact O-C 3.44Å; G243-Q245 PolarHBondContact O-N 3.02Å
246	V	86.7	Confident	91.7	Very high	7 Å²	7	53 Å²	53	4%	0.042	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-18.5	-179.2	-178.1	0	0	0	0	111.5	I117 Q123 N224 G243 Q244	I117-V246 HydrophobicContact CD1-CG1 4.29Å; Q123-V246 HydrophobicContact CB-CG1 4.3Å; Q123-V246 HydrophobicContact CB-CG2 3.91Å; N224-V246 PolarHBondContact ND2-O 3.12Å; N224-V246 VanDerWaalsContact ND2-O 3.12Å; G243-V246 PolarHBondContact O-N 2.83Å; Q244-V246 PolarHBondContact O-N 3.1Å
247	A	91.4	Very high	91.6	Very high	6 Å²	6	50.9 Å²	50.9	5%	0.05	27%	0.27	C	S	.	.	S	Bend	trans	-80.8	151.9	178.2	0	0	0	0	0	112.2	F238 G243 Q244 P292 L293 M294	F238-A247 HydrophobicContact CE2-CB 3.74Å; F238-A247 HydrophobicContact CZ-CB 4.08Å; G243-A247 PolarHBondContact O-N 3.41Å; Q244-A247 PolarHBondContact O-N 3.34Å; A247-P292 HydrophobicContact CB-CB 4.47Å; A247-L293 WeakPolarHBondContact CA-O 3.14Å; A247-M294 HydrophobicContact CB-SD 3.53Å; A247-M294 VanDerWaalsContact CB-SD 3.53Å
248	V	91.7	Very high	91.5	Very high	7 Å²	7	49.3 Å²	49.3	4%	0.042	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-97.4	113.3	167.5	-178.1	0	0	0	0	109.7	P195 L197 L251 P292 L293	P195-V248 HydrophobicContact CB-CG2 3.36Å; P195-V248 HydrophobicContact CG-CG2 3.79Å; L197-V248 HydrophobicContact CD1-CG2 4.01Å; V248-L251 HydrophobicContact CG1-CD2 3.58Å; V248-L251 HydrophobicContact CG1-CG 4.22Å; V248-P292 WeakPolarHBondContact O-CA 3.43Å; V248-L293 HydrophobicContact CB-CB 4.11Å; V248-L293 HydrophobicContact CB-CD1 4.36Å; V248-L293 HydrophobicContact CB-CG 4.46Å; V248-L293 PolarHBondContact N-O 3.43Å; V248-L293 VanDerWaalsContact N-O 3.1Å; V248-L293 PolarHBondContact O-N 3.49Å
249	N	90.6	Very high	91.6	Very high	62 Å²	62	49.6 Å²	49.6	33%	0.332	27%	0.267	S	S	.	.			trans	-94.4	-32.2	179.5	-62.4	-9.8	0	0	0	112.2	F238	F238-N249 VanDerWaalsContact CZ-OD1 3.27Å; F238-N249 WeakPolarHBondContact CZ-OD1 3.44Å
250	S	93.3	Very high	91.7	Very high	56 Å²	56	51.4 Å²	51.4	39%	0.392	27%	0.271	S	S	.	.			trans	-152.5	152.1	-179.5	62.9	0	0	0	0	110.9	L287	S250-L287 CarbonylContact C-O 3.58Å; S250-L287 VanDerWaalsContact CA-O 3.31Å; S250-L287 WeakPolarHBondContact CA-O 3.39Å
251	L	93.6	Very high	91.8	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.037	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	137.9	174.8	-58.7	173.7	0	0	0	107.6	L197 I222 V248 T286 L287 Y301	L197-L251 HydrophobicContact CD2-CD1 4.46Å; L197-L251 HydrophobicContact CD2-CD2 3.22Å; L197-L251 HydrophobicContact CD2-CG 4.47Å; I222-L251 HydrophobicContact CD1-CD1 3.91Å; V248-L251 HydrophobicContact CG1-CD2 3.58Å; V248-L251 HydrophobicContact CG1-CG 4.22Å; L251-T286 CarbonylContact O-C 3.55Å; L251-T286 WeakPolarHBondContact O-CA 3.26Å; L251-L287 HydrophobicContact CB-CB 4.36Å; L251-L287 PolarHBondContact N-O 3.39Å; L251-L287 PolarHBondContact O-N 2.97Å; L251-Y301 HydrophobicContact CD1-CE1 4Å
252	K	94.6	Very high	92	Very high	129 Å²	129	48.7 Å²	48.7	56%	0.561	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	110.3	174.1	-68	-171.8	177.8	-171.7	0	108.4	V285 T286 H329	K252-V285 WeakPolarHBondContact CA-O 3.48Å; K252-T286 HydrophobicContact CG-CG2 4.32Å; K252-H329 PolarHBondContact O-CE1 2.76Å
253	T	95.2	Very high	92.4	Very high	4 Å²	4	49.6 Å²	49.6	3%	0.025	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	152.7	171.6	-179.4	0	0	0	0	109.7	L255 V285 L287 I303 H329 V330	T253-L255 HydrophobicContact CG2-CD2 4.47Å; T253-V285 HydrophobicContact CG2-CB 3.66Å; T253-V285 HydrophobicContact CG2-CG1 4.4Å; T253-V285 HydrophobicContact CG2-CG2 4.46Å; T253-V285 WeakPolarHBondContact CG2-O 3.26Å; T253-V285 PolarHBondContact N-O 3.17Å; T253-V285 PolarHBondContact O-N 3.34Å; T253-L287 HydrophobicContact CG2-CD1 4.02Å; T253-L287 HydrophobicContact CG2-CG 4.3Å; T253-I303 HydrophobicContact CG2-CD1 3.93Å; T253-H329 PolarHBondContact OG1-O 3.41Å; T253-V330 VanDerWaalsContact CA-O 3.31Å; T253-V330 WeakPolarHBondContact CA-O 3.24Å; T253-V330 VanDerWaalsContact CB-O 3.3Å; T253-V330 WeakPolarHBondContact CB-O 3.44Å
254	V	95.2	Very high	93	Very high	46 Å²	46	49 Å²	49	28%	0.279	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	114.8	179.4	-179.4	0	0	0	0	106.4	H329	V254-H329 HydrophobicContact CB-CB 4.4Å; V254-H329 PolarHBondContact N-O 2.78Å
255	L	95.2	Very high	93.4	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.016	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	160.8	179.1	-56.3	-176.5	0	0	0	110.4	T253 A259 I262 T283 V285 I303 Y305	T253-L255 HydrophobicContact CG2-CD2 4.47Å; L255-A259 HydrophobicContact CB-CB 4.06Å; L255-A259 HydrophobicContact CD1-CB 4.36Å; L255-I262 HydrophobicContact CD1-CD1 3.95Å; L255-I262 HydrophobicContact CD1-CG1 4.12Å; L255-I262 HydrophobicContact CD1-CG2 4.3Å; L255-T283 PolarHBondContact N-O 3.39Å; L255-T283 PolarHBondContact O-N 3.45Å; L255-V285 HydrophobicContact CD1-CG2 3.66Å; L255-V285 HydrophobicContact CG-CG2 4.08Å; L255-I303 HydrophobicContact CD1-CD1 4.36Å; L255-Y305 HydrophobicContact CD1-CD1 4.02Å; L255-Y305 HydrophobicContact CD1-CE1 4.43Å; L255-Y305 HydrophobicContact CD1-CG 4.22Å; L255-Y305 HydrophobicContact CD2-CD1 4.12Å; L255-Y305 HydrophobicContact CD2-CE1 3.7Å
256	P	93.3	Very high	94	Very high	19 Å²	19	46 Å²	46	12%	0.123	24%	0.235	C	C	.	.			trans	-53.3	146.8	170.8	-27.6	36.7	0	0	0	112.2	S258 A259 Y305 I307 F312	P256-S258 PolarHBondContact O-N 2.76Å; P256-S258 VanDerWaalsContact O-N 3.12Å; P256-A259 VanDerWaalsContact O-CB 3.27Å; P256-A259 WeakPolarHBondContact O-CB 3.04Å; P256-A259 PolarHBondContact O-N 2.96Å; P256-A259 VanDerWaalsContact O-N 3.08Å; P256-Y305 HydrophobicContact CG-CE2 4.47Å; P256-I307 HydrophobicContact CB-CD1 4.36Å; P256-I307 HydrophobicContact CG-CD1 4.04Å; P256-F312 HydrophobicContact CB-CZ 4.48Å; P256-F312 HydrophobicContact CG-CZ 4.44Å
257	P	92.7	Very high	94.3	Very high	67 Å²	67	52.7 Å²	52.7	44%	0.435	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-29	-176.1	22.2	-32.6	0	0	0	113.2	A259 T283	P257-A259 VanDerWaalsContact C-N 3.34Å; P257-T283 PolarHBondContact O-OG1 2.85Å
258	S	92.5	Very high	94.5	Very high	29 Å²	29	59 Å²	59	20%	0.203	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	9.1	-178.1	-59.2	0	0	0	0	114.5	P256 K260 E311	P256-S258 PolarHBondContact O-N 2.76Å; P256-S258 VanDerWaalsContact O-N 3.12Å; S258-K260 PolarHBondContact O-N 2.99Å; S258-E311 WeakPolarHBondContact CB-OE1 3.26Å; S258-E311 WeakPolarHBondContact CB-OE2 3.41Å; S258-E311 PolarHBondContact OG-OE1 2.85Å; S258-E311 PolarHBondContact OG-OE2 2.78Å
259	A	94.6	Very high	94.7	Very high	12 Å²	12	60.1 Å²	60.1	10%	0.099	31%	0.311	C	S	.	.			trans	-60.7	126	176	0	0	0	0	0	111.2	L255 P256 P257 I262 Y305 N306	L255-A259 HydrophobicContact CB-CB 4.06Å; L255-A259 HydrophobicContact CD1-CB 4.36Å; P256-A259 VanDerWaalsContact O-CB 3.27Å; P256-A259 WeakPolarHBondContact O-CB 3.04Å; P256-A259 PolarHBondContact O-N 2.96Å; P256-A259 VanDerWaalsContact O-N 3.08Å; P257-A259 VanDerWaalsContact C-N 3.34Å; A259-I262 HydrophobicContact CB-CD1 4.41Å; A259-I262 HydrophobicContact CB-CG1 4.46Å; A259-Y305 HydrophobicContact CB-CD2 3.85Å; A259-Y305 HydrophobicContact CB-CG 4.34Å; A259-N306 CarbonylContact C-O 3.47Å; A259-N306 WeakPolarHBondContact CA-O 3.37Å
260	K	94.1	Very high	94.9	Very high	129 Å²	129	62.3 Å²	62.3	56%	0.561	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.5	164.8	177.6	-68.8	178.6	-176.9	178	0	110.2	S258 I262 N306	S258-K260 PolarHBondContact O-N 2.99Å; K260-I262 PolarHBondContact O-N 2.83Å; K260-N306 PolarHBondContact N-O 2.84Å; K260-N306 PolarHBondContact O-N 3.48Å
261	D	95.4	Very high	95.1	Very high	113 Å²	113	59.9 Å²	59.9	60%	0.604	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.6	41.3	175.8	-47.7	-38.5	0	0	0	113.6	Y263 N306	D261-Y263 WeakPolarHBondContact O-CD1 3.05Å; D261-Y263 PolarHBondContact O-N 3.41Å; D261-N306 PolarHBondContact OD2-ND2 2.84Å
262	I	96.7	Very high	95.1	Very high	47 Å²	47	64.4 Å²	64.4	24%	0.241	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	123.6	-178.4	-56.3	162.5	0	0	0	109	L255 A259 K260 V276 T283 V285 G304	L255-I262 HydrophobicContact CD1-CD1 3.95Å; L255-I262 HydrophobicContact CD1-CG1 4.12Å; L255-I262 HydrophobicContact CD1-CG2 4.3Å; A259-I262 HydrophobicContact CB-CD1 4.41Å; A259-I262 HydrophobicContact CB-CG1 4.46Å; K260-I262 PolarHBondContact O-N 2.83Å; I262-V276 HydrophobicContact CD1-CG1 3.94Å; I262-V276 HydrophobicContact CD1-CG2 4.24Å; I262-T283 HydrophobicContact CD1-CG2 3.91Å; I262-V285 HydrophobicContact CD1-CG2 4.12Å; I262-G304 CarbonylContact C-O 3.51Å; I262-G304 VanDerWaalsContact CA-O 3.31Å; I262-G304 WeakPolarHBondContact CA-O 3.27Å
263	Y	97	Very high	95.2	Very high	85 Å²	85	61.4 Å²	61.4	33%	0.333	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	146.6	172	60.9	-90.9	0	0	0	111.4	E217 D261 R265 T302 I303 G304	E217-Y263 WeakPolarHBondContact OE2-CE2 3.44Å; E217-Y263 PolarHBondContact OE2-OH 2.79Å; D261-Y263 WeakPolarHBondContact O-CD1 3.05Å; D261-Y263 PolarHBondContact O-N 3.41Å; Y263-R265 HydrophobicContact CD2-CG 4.22Å; Y263-R265 HydrophobicContact CE2-CG 4.48Å; Y263-T302 HydrophobicContact CE2-CG2 4.48Å; Y263-I303 WeakPolarHBondContact O-CA 3.42Å; Y263-G304 WeakPolarHBondContact CD1-O 3.49Å; Y263-G304 VanDerWaalsContact CZ-CA 3.49Å; Y263-G304 PolarHBondContact N-O 2.94Å; Y263-G304 PolarHBondContact O-N 2.92Å
264	Y	97.5	Very high	95.2	Very high	5 Å²	5	63.4 Å²	63.4	2%	0.02	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	109.5	179.4	172.7	-134.1	0	0	0	109.2	N270 I271 L287 V288 Y301	Y264-N270 PolarHBondContact O-OD1 2.82Å; Y264-N270 VanDerWaalsContact O-OD1 3.12Å; Y264-I271 HydrophobicContact CD1-CB 3.64Å; Y264-I271 HydrophobicContact CD1-CG2 3.8Å; Y264-I271 HydrophobicContact CE1-CB 3.51Å; Y264-I271 HydrophobicContact CE1-CD1 3.94Å; Y264-I271 HydrophobicContact CE1-CG1 4.33Å; Y264-I271 HydrophobicContact CE1-CG2 3.27Å; Y264-I271 HydrophobicContact CE2-CD1 4.02Å; Y264-I271 HydrophobicContact CG-CB 4.36Å; Y264-I271 PolarHBondContact O-N 3.26Å; Y264-L287 HydrophobicContact CD1-CD2 3.94Å; Y264-L287 HydrophobicContact CD2-CD2 3.95Å; Y264-L287 HydrophobicContact CE1-CB 4.33Å; Y264-L287 HydrophobicContact CE1-CD2 4.25Å; Y264-L287 HydrophobicContact CE2-CD2 4.28Å; Y264-L287 HydrophobicContact CG-CD2 3.77Å; Y264-V288 PolarHBondContact OH-O 2.97Å; Y264-Y301 AromaticContact CD2-CD2 3.95Å; Y264-Y301 HydrophobicContact CD2-CD2 3.95Å; Y264-Y301 HydrophobicContact CD2-CG 4.38Å; Y264-Y301 HydrophobicContact CE2-CD1 4.32Å; Y264-Y301 AromaticContact CE2-CD2 3.51Å; Y264-Y301 HydrophobicContact CE2-CD2 3.51Å; Y264-Y301 HydrophobicContact CE2-CE2 4.21Å; Y264-Y301 AromaticContact CE2-CG 3.57Å; Y264-Y301 HydrophobicContact CE2-CG 3.57Å
265	R	97.1	Very high	95.3	Very high	107 Å²	107	65.7 Å²	65.7	40%	0.404	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	157.6	-173.2	66.3	-177.4	-177.2	167.7	-0.5	111.3	E217 Y263 G269 Y301 T302	E217-R265 IonicContact OE1-NH2 3.81Å; E217-R265 PolarHBondContact OE1-NH2 3.14Å; E217-R265 IonicContact OE2-CZ 3.21Å; E217-R265 IonicContact OE2-NE 3.2Å; E217-R265 IonicContact OE2-NH2 3.5Å; E217-R265 PolarHBondContact OE2-NH2 2.87Å; Y263-R265 HydrophobicContact CD2-CG 4.22Å; Y263-R265 HydrophobicContact CE2-CG 4.48Å; R265-G269 CarbonylContact C-O 3.59Å; R265-G269 WeakPolarHBondContact CA-O 3.46Å; R265-G269 WeakPolarHBondContact CB-O 3.48Å; R265-Y301 CarbonylContact O-C 3.52Å; R265-Y301 WeakPolarHBondContact O-CA 3.48Å; R265-T302 HydrophobicContact CG-CG2 4.45Å; R265-T302 PolarHBondContact N-O 3.47Å; R265-T302 PolarHBondContact O-N 3.48Å
266	D	95.2	Very high	95.4	Very high	26 Å²	26	68.8 Å²	68.8	14%	0.139	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-174.2	163.6	60.3	11.5	0	0	0	110.7	I268 G269 I271 R290	D266-I268 PolarHBondContact O-N 2.84Å; D266-I268 WeakPolarHBondContact OD1-CG1 3.24Å; D266-I268 PolarHBondContact OD1-N 3.48Å; D266-G269 PolarHBondContact N-O 2.81Å; D266-G269 PolarHBondContact O-N 2.85Å; D266-G269 PolarHBondContact OD1-N 3.44Å; D266-I271 HydrophobicContact CB-CD1 3.9Å; D266-I271 HydrophobicContact CB-CG1 4.42Å; D266-R290 IonicContact OD1-CZ 3.91Å; D266-R290 IonicContact OD1-NE 2.6Å; D266-R290 IonicContact OD1-NH2 2.71Å; D266-R290 PolarHBondContact OD1-NH2 3.11Å; D266-R290 IonicContact OD2-CZ 2.62Å; D266-R290 IonicContact OD2-NE 3.39Å; D266-R290 PolarHBondContact OD2-NE 3.09Å; D266-R290 IonicContact OD2-NH2 3.26Å; D266-R290 PolarHBondContact OD2-NH2 2.92Å
267	E	93.5	Very high	95.5	Very high	147 Å²	147	73.5 Å²	73.5	69%	0.687	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.1	-179.6	-64	-175.2	164.1	0	0	113	R300	E267-R300 WeakPolarHBondContact OE1-CD 3.06Å; E267-R300 IonicContact OE1-CZ 3.35Å; E267-R300 IonicContact OE1-NE 2.8Å; E267-R300 IonicContact OE1-NH1 3.39Å; E267-R300 PolarHBondContact OE1-NH1 3.49Å
268	I	95.2	Very high	95.5	Very high	139 Å²	139	76.1 Å²	76.1	71%	0.713	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-3.3	-177.9	63.9	168.9	0	0	0	113.6	D266	D266-I268 PolarHBondContact O-N 2.84Å; D266-I268 WeakPolarHBondContact OD1-CG1 3.24Å; D266-I268 PolarHBondContact OD1-N 3.48Å
269	G	95.6	Very high	95.5	Very high	31 Å²	31	78 Å²	78	32%	0.32	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	139	-156.9	171.5	0	0	0	0	0	114.4	R265 D266	R265-G269 CarbonylContact C-O 3.59Å; R265-G269 WeakPolarHBondContact CA-O 3.46Å; R265-G269 WeakPolarHBondContact CB-O 3.48Å; D266-G269 PolarHBondContact N-O 2.81Å; D266-G269 PolarHBondContact O-N 2.85Å; D266-G269 PolarHBondContact OD1-N 3.44Å
270	N	96.3	Very high	95.3	Very high	108 Å²	108	85.4 Å²	85.4	58%	0.578	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	144.9	-176.8	-169.2	59.1	0	0	0	111.8	Y264 R290	Y264-N270 PolarHBondContact O-OD1 2.82Å; Y264-N270 VanDerWaalsContact O-OD1 3.12Å; N270-R290 PolarHBondContact O-NH2 2.88Å
271	I	96.2	Very high	95.2	Very high	4 Å²	4	86.2 Å²	86.2	2%	0.021	46%	0.46	C	S	.	.			trans	-110.1	111.4	168	-60	172.3	0	0	0	107.8	Y264 D266 T273 R290	Y264-I271 HydrophobicContact CD1-CB 3.64Å; Y264-I271 HydrophobicContact CD1-CG2 3.8Å; Y264-I271 HydrophobicContact CE1-CB 3.51Å; Y264-I271 HydrophobicContact CE1-CD1 3.94Å; Y264-I271 HydrophobicContact CE1-CG1 4.33Å; Y264-I271 HydrophobicContact CE1-CG2 3.27Å; Y264-I271 HydrophobicContact CE2-CD1 4.02Å; Y264-I271 HydrophobicContact CG-CB 4.36Å; Y264-I271 PolarHBondContact O-N 3.26Å; D266-I271 HydrophobicContact CB-CD1 3.9Å; D266-I271 HydrophobicContact CB-CG1 4.42Å; I271-T273 VanDerWaalsContact C-N 3.27Å; I271-T273 WeakPolarHBondContact CG2-OG1 3.4Å; I271-T273 PolarHBondContact O-N 2.86Å; I271-R290 HydrophobicContact CD1-CG 4.25Å; I271-R290 HydrophobicContact CG1-CG 4.22Å
272	S	95.1	Very high	95.1	Very high	103 Å²	103	82 Å²	82	72%	0.72	44%	0.44	S	S	*	.			trans	-78	-10	-177.8	52.9	0	0	0	0	114.1	S274	S272-S274 VanDerWaalsContact C-N 3.31Å; S272-S274 PolarHBondContact O-N 2.79Å
273	T	95.7	Very high	95	Very high	65 Å²	65	79.8 Å²	79.8	40%	0.399	43%	0.428	S	S	.	.			trans	-86.5	68.4	-177.6	52.9	0	0	0	0	111.3	I271 V288	I271-T273 VanDerWaalsContact C-N 3.27Å; I271-T273 WeakPolarHBondContact CG2-OG1 3.4Å; I271-T273 PolarHBondContact O-N 2.86Å; T273-V288 WeakPolarHBondContact O-CB 3.29Å; T273-V288 PolarHBondContact O-N 2.88Å; T273-V288 PolarHBondContact OG1-O 2.88Å
274	S	95.8	Very high	95	Very high	46 Å²	46	78.7 Å²	78.7	32%	0.322	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	150.3	173.6	56.1	0	0	0	0	111.4	S272 T286	S272-S274 VanDerWaalsContact C-N 3.31Å; S272-S274 PolarHBondContact O-N 2.79Å; S274-T286 CarbonylContact C-O 3.51Å; S274-T286 VanDerWaalsContact CA-O 3.25Å; S274-T286 WeakPolarHBondContact CA-O 3.49Å
275	T	96.7	Very high	94.9	Very high	94 Å²	94	78.5 Å²	78.5	58%	0.577	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.7	124	175.9	-53.6	0	0	0	0	109.5	V285 T286	T275-V285 WeakPolarHBondContact O-CA 3.34Å; T275-T286 PolarHBondContact N-O 2.98Å; T275-T286 PolarHBondContact O-N 3.41Å
276	V	96.4	Very high	94.9	Very high	68 Å²	68	75 Å²	75	41%	0.412	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132.4	177.6	-178.6	0	0	0	0	108.8	I262 T283 V285	I262-V276 HydrophobicContact CD1-CG1 3.94Å; I262-V276 HydrophobicContact CD1-CG2 4.24Å; V276-T283 HydrophobicContact CG1-CG2 3.62Å; V276-V285 HydrophobicContact CG1-CG2 4.36Å; V276-V285 HydrophobicContact CG2-CG1 4.13Å; V276-V285 HydrophobicContact CG2-CG2 4.16Å
277	K	95.6	Very high	95	Very high	119 Å²	119	73.9 Å²	73.9	52%	0.517	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	109.3	176.2	-175.7	-172.8	178.5	-164.5	0	109	L279 E284	K277-L279 HydrophobicContact CD-CD2 4.16Å; K277-L279 HydrophobicContact CG-CD2 4.32Å; K277-L279 PolarHBondContact O-N 2.94Å; K277-E284 HydrophobicContact CB-CB 4.37Å; K277-E284 PolarHBondContact N-O 2.84Å; K277-E284 PolarHBondContact O-N 3.24Å
278	N	93.4	Very high	95.1	Very high	121 Å²	121	69.4 Å²	69.4	65%	0.647	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	119.9	176.7	-58	-17.4	0	0	0	108.9	T283	N278-T283 WeakPolarHBondContact OD1-CG2 3.49Å
279	L	93.1	Very high	95.1	Very high	68 Å²	68	63.1 Å²	63.1	36%	0.356	36%	0.361	S	S	.	.			trans	-102.2	176.1	170.5	-56.9	174.7	0	0	0	109.3	K277 S282 E284	K277-L279 HydrophobicContact CD-CD2 4.16Å; K277-L279 HydrophobicContact CG-CD2 4.32Å; K277-L279 PolarHBondContact O-N 2.94Å; L279-S282 CarbonylContact C-O 3.58Å; L279-S282 VanDerWaalsContact CA-O 3.29Å; L279-S282 WeakPolarHBondContact CA-O 3.41Å; L279-S282 VanDerWaalsContact CB-O 3.22Å; L279-S282 WeakPolarHBondContact CB-O 3.49Å; L279-S282 PolarHBondContact N-O 3.18Å; L279-E284 HydrophobicContact CD1-CG 3.68Å; L279-E284 HydrophobicContact CG-CG 4.43Å
280	L	90.3	Very high	95.1	Very high	169 Å²	169	67.6 Å²	67.6	89%	0.885	37%	0.369	S	S	*	.	S	Bend	trans	-64.3	-43.6	178.3	-70.4	169	0	0	0	112.2
281	D	91.7	Very high	94.9	Very high	145 Å²	145	66.6 Å²	66.6	78%	0.775	36%	0.359	S	S	*	.	S	Bend	trans	-104.7	-8.2	-171.9	-57.1	-30.6	0	0	0	113.4
282	S	93.4	Very high	94.8	Very high	24 Å²	24	67 Å²	67	17%	0.168	36%	0.362	C	S	.	.			trans	-162.6	166.4	-175.8	56.8	0	0	0	0	112.4	L279	L279-S282 CarbonylContact C-O 3.58Å; L279-S282 VanDerWaalsContact CA-O 3.29Å; L279-S282 WeakPolarHBondContact CA-O 3.41Å; L279-S282 VanDerWaalsContact CB-O 3.22Å; L279-S282 WeakPolarHBondContact CB-O 3.49Å; L279-S282 PolarHBondContact N-O 3.18Å
283	T	95.2	Very high	94.8	Very high	1 Å²	1	62 Å²	62	1%	0.006	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	107.4	172.6	-65.5	0	0	0	0	108.9	L255 P257 I262 V276 N278 V285	L255-T283 PolarHBondContact N-O 3.39Å; L255-T283 PolarHBondContact O-N 3.45Å; P257-T283 PolarHBondContact O-OG1 2.85Å; I262-T283 HydrophobicContact CD1-CG2 3.91Å; V276-T283 HydrophobicContact CG1-CG2 3.62Å; N278-T283 WeakPolarHBondContact OD1-CG2 3.49Å; T283-V285 HydrophobicContact CG2-CG2 4.24Å
284	E	95.9	Very high	94.7	Very high	63 Å²	63	59.3 Å²	59.3	29%	0.294	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	127	176.8	-73.5	-176.6	164.3	0	0	109.8	K277 L279	K277-E284 HydrophobicContact CB-CB 4.37Å; K277-E284 PolarHBondContact N-O 2.84Å; K277-E284 PolarHBondContact O-N 3.24Å; L279-E284 HydrophobicContact CD1-CG 3.68Å; L279-E284 HydrophobicContact CG-CG 4.43Å
285	V	96.6	Very high	94.6	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	118.8	174	-172.3	0	0	0	0	109.2	K252 T253 L255 I262 T275 V276 T283 L287	K252-V285 WeakPolarHBondContact CA-O 3.48Å; T253-V285 HydrophobicContact CG2-CB 3.66Å; T253-V285 HydrophobicContact CG2-CG1 4.4Å; T253-V285 HydrophobicContact CG2-CG2 4.46Å; T253-V285 WeakPolarHBondContact CG2-O 3.26Å; T253-V285 PolarHBondContact N-O 3.17Å; T253-V285 PolarHBondContact O-N 3.34Å; L255-V285 HydrophobicContact CD1-CG2 3.66Å; L255-V285 HydrophobicContact CG-CG2 4.08Å; I262-V285 HydrophobicContact CD1-CG2 4.12Å; T275-V285 WeakPolarHBondContact O-CA 3.34Å; V276-V285 HydrophobicContact CG1-CG2 4.36Å; V276-V285 HydrophobicContact CG2-CG1 4.13Å; V276-V285 HydrophobicContact CG2-CG2 4.16Å; T283-V285 HydrophobicContact CG2-CG2 4.24Å; V285-L287 HydrophobicContact CG1-CD2 3.61Å; V285-L287 HydrophobicContact CG1-CG 4.25Å
286	T	97	Very high	94.4	Very high	34 Å²	34	54.6 Å²	54.6	21%	0.209	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	114.4	171.8	-57	0	0	0	0	108.8	L251 K252 S274 T275	L251-T286 CarbonylContact O-C 3.55Å; L251-T286 WeakPolarHBondContact O-CA 3.26Å; K252-T286 HydrophobicContact CG-CG2 4.32Å; S274-T286 CarbonylContact C-O 3.51Å; S274-T286 VanDerWaalsContact CA-O 3.25Å; S274-T286 WeakPolarHBondContact CA-O 3.49Å; T275-T286 PolarHBondContact N-O 2.98Å; T275-T286 PolarHBondContact O-N 3.41Å
287	L	96.1	Very high	94.4	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	125.6	179.2	-54.2	173.1	0	0	0	109.1	S250 L251 T253 Y264 V285 Y301 I303	S250-L287 CarbonylContact C-O 3.58Å; S250-L287 VanDerWaalsContact CA-O 3.31Å; S250-L287 WeakPolarHBondContact CA-O 3.39Å; L251-L287 HydrophobicContact CB-CB 4.36Å; L251-L287 PolarHBondContact N-O 3.39Å; L251-L287 PolarHBondContact O-N 2.97Å; T253-L287 HydrophobicContact CG2-CD1 4.02Å; T253-L287 HydrophobicContact CG2-CG 4.3Å; Y264-L287 HydrophobicContact CD1-CD2 3.94Å; Y264-L287 HydrophobicContact CD2-CD2 3.95Å; Y264-L287 HydrophobicContact CE1-CB 4.33Å; Y264-L287 HydrophobicContact CE1-CD2 4.25Å; Y264-L287 HydrophobicContact CE2-CD2 4.28Å; Y264-L287 HydrophobicContact CG-CD2 3.77Å; V285-L287 HydrophobicContact CG1-CD2 3.61Å; V285-L287 HydrophobicContact CG1-CG 4.25Å; L287-Y301 HydrophobicContact CD1-CE2 3.85Å; L287-I303 HydrophobicContact CD1-CD1 4.18Å; L287-I303 HydrophobicContact CD2-CD1 4.33Å
288	V	96	Very high	94.4	Very high	54 Å²	54	55.3 Å²	55.3	33%	0.327	28%	0.283	S	S	.	.			trans	-108.9	116	172.7	174.9	0	0	0	0	107.5	Y264 T273	Y264-V288 PolarHBondContact OH-O 2.97Å; T273-V288 WeakPolarHBondContact O-CB 3.29Å; T273-V288 PolarHBondContact O-N 2.88Å; T273-V288 PolarHBondContact OG1-O 2.88Å
289	P	95.3	Very high	94.5	Very high	7 Å²	7	50.3 Å²	50.3	5%	0.045	26%	0.257	C	S	.	.			trans	-61.7	158.8	173.5	-20.4	32.3	0	0	0	111.6	F291	P289-F291 PolarHBondContact O-N 3Å; P289-F291 VanDerWaalsContact O-N 3.09Å
290	R	94.6	Very high	94.7	Very high	125 Å²	125	52 Å²	52	47%	0.472	26%	0.259	S	S	.	.	S	Bend	trans	-57.9	-26.7	179.8	-68.3	-164.3	-171.1	-92.1	-6.3	113.9	D266 N270 I271	D266-R290 IonicContact OD1-CZ 3.91Å; D266-R290 IonicContact OD1-NE 2.6Å; D266-R290 IonicContact OD1-NH2 2.71Å; D266-R290 PolarHBondContact OD1-NH2 3.11Å; D266-R290 IonicContact OD2-CZ 2.62Å; D266-R290 IonicContact OD2-NE 3.39Å; D266-R290 PolarHBondContact OD2-NE 3.09Å; D266-R290 IonicContact OD2-NH2 3.26Å; D266-R290 PolarHBondContact OD2-NH2 2.92Å; N270-R290 PolarHBondContact O-NH2 2.88Å; I271-R290 HydrophobicContact CD1-CG 4.25Å; I271-R290 HydrophobicContact CG1-CG 4.22Å
291	F	93.8	Very high	95	Very high	86 Å²	86	44.1 Å²	44.1	38%	0.377	22%	0.217	S	C	.	.	S	Bend	trans	-141.2	148.7	177.9	53.2	-96.1	0	0	0	109.4	P289 L293 W297	P289-F291 PolarHBondContact O-N 3Å; P289-F291 VanDerWaalsContact O-N 3.09Å; F291-L293 HydrophobicContact CD2-CD2 4.04Å; F291-L293 HydrophobicContact CE2-CD2 3.62Å; F291-L293 HydrophobicContact CZ-CD2 4.48Å; F291-W297 AromaticContact CD2-CE3 3.57Å; F291-W297 HydrophobicContact CD2-CE3 3.57Å; F291-W297 AromaticContact CD2-CZ3 3.89Å; F291-W297 HydrophobicContact CD2-CZ3 3.89Å; F291-W297 AromaticContact CE2-CE3 3.93Å; F291-W297 HydrophobicContact CE2-CE3 3.93Å
292	P	94	Very high	95.3	Very high	12 Å²	12	38 Å²	38	8%	0.078	19%	0.185	C	C	.	.			trans	-63.5	137.7	176.7	27.9	-34.7	0	0	0	110.2	F233 F238 A247 V248 M294 W297	F233-P292 HydrophobicContact CE2-CG 4.35Å; F233-P292 HydrophobicContact CZ-CG 3.97Å; F238-P292 HydrophobicContact CD1-CG 4.4Å; F238-P292 HydrophobicContact CE1-CB 3.92Å; F238-P292 HydrophobicContact CE1-CG 3.84Å; F238-P292 HydrophobicContact CE2-CB 4.03Å; F238-P292 HydrophobicContact CE2-CG 4.13Å; F238-P292 HydrophobicContact CZ-CB 3.39Å; F238-P292 HydrophobicContact CZ-CG 3.66Å; A247-P292 HydrophobicContact CB-CB 4.47Å; V248-P292 WeakPolarHBondContact O-CA 3.43Å; P292-M294 PolarHBondContact O-N 3.41Å; P292-W297 WeakPolarHBondContact O-CZ3 3.42Å
293	L	94.4	Very high	95.5	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-85.6	94.3	179.9	-50.4	175.1	0	0	0	109.7	L197 I222 N224 A247 V248 F291 T299	L197-L293 HydrophobicContact CD1-CD1 4.15Å; I222-L293 HydrophobicContact CG2-CD1 4.33Å; N224-L293 HydrophobicContact CB-CB 4.15Å; N224-L293 PolarHBondContact ND2-O 3.2Å; A247-L293 WeakPolarHBondContact CA-O 3.14Å; V248-L293 HydrophobicContact CB-CB 4.11Å; V248-L293 HydrophobicContact CB-CD1 4.36Å; V248-L293 HydrophobicContact CB-CG 4.46Å; V248-L293 PolarHBondContact N-O 3.43Å; V248-L293 VanDerWaalsContact N-O 3.1Å; V248-L293 PolarHBondContact O-N 3.49Å; F291-L293 HydrophobicContact CD2-CD2 4.04Å; F291-L293 HydrophobicContact CE2-CD2 3.62Å; F291-L293 HydrophobicContact CZ-CD2 4.48Å; L293-T299 HydrophobicContact CD1-CG2 3.69Å; L293-T299 HydrophobicContact CD2-CG2 3.77Å; L293-T299 HydrophobicContact CG-CG2 4.32Å
294	M	94.1	Very high	95.6	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.039	18%	0.177	C	C	.	.			trans	-69.4	163	165.8	-61.5	-59.9	-65.3	0	0	110.3	Q119 N224 L229 F233 F238 A247 P292 G296 W297	Q119-M294 HydrophobicContact CG-CE 4.19Å; N224-M294 WeakPolarHBondContact CB-O 3.41Å; L229-M294 HydrophobicContact CB-CB 4.17Å; L229-M294 HydrophobicContact CD1-CE 4.11Å; L229-M294 HydrophobicContact CD2-CB 4.22Å; L229-M294 HydrophobicContact CD2-CG 4.24Å; F233-M294 HydrophobicContact CD2-CG 4.02Å; F233-M294 HydrophobicContact CE2-CG 4.17Å; F233-M294 HydrophobicContact CE2-SD 4.35Å; F238-M294 HydrophobicContact CD2-SD 4.47Å; F238-M294 HydrophobicContact CE2-SD 4.09Å; A247-M294 HydrophobicContact CB-SD 3.53Å; A247-M294 VanDerWaalsContact CB-SD 3.53Å; P292-M294 PolarHBondContact O-N 3.41Å; M294-G296 PolarHBondContact O-N 3.07Å; M294-W297 HydrophobicContact CB-CD2 3.92Å; M294-W297 HydrophobicContact CB-CE3 4.3Å; M294-W297 HydrophobicContact CB-CG 4.2Å; M294-W297 HydrophobicContact CB-CZ2 4.33Å; M294-W297 HydrophobicContact CG-CD2 4.42Å; M294-W297 HydrophobicContact CG-CE3 4.4Å; M294-W297 HydrophobicContact CG-CH2 4.24Å; M294-W297 HydrophobicContact CG-CZ2 4.26Å; M294-W297 HydrophobicContact CG-CZ3 4.31Å; M294-W297 VanDerWaalsContact O-CB 3.26Å; M294-W297 WeakPolarHBondContact O-CB 3.27Å; M294-W297 PolarHBondContact O-N 2.93Å
295	G	93	Very high	95.6	Very high	3 Å²	3	34 Å²	34	3%	0.031	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	133.5	179.9	0	0	0	0	0	112.5	A227 K228 L229 W297	A227-G295 WeakPolarHBondContact O-CA 3.33Å; K228-G295 WeakPolarHBondContact CA-O 3.44Å; L229-G295 PolarHBondContact N-O 3.29Å; G295-W297 VanDerWaalsContact C-N 3.29Å; G295-W297 PolarHBondContact O-N 3.38Å
296	G	93.1	Very high	95.7	Very high	37 Å²	37	35.7 Å²	35.7	38%	0.381	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	-13.4	-173.9	0	0	0	0	0	115	N224 M294	N224-G296 PolarHBondContact O-N 3.26Å; M294-G296 PolarHBondContact O-N 3.07Å
297	W	95.9	Very high	95.6	Very high	75 Å²	75	34.2 Å²	34.2	28%	0.284	16%	0.163	S	C	.	.			trans	-78.9	146.3	179.8	-65.4	13.4	0	0	0	110.8	N224 L229 F233 F291 P292 M294 G295	N224-W297 PolarHBondContact N-O 2.94Å; L229-W297 HydrophobicContact CD2-CZ2 3.94Å; F233-W297 HydrophobicContact CB-CH2 4.02Å; F233-W297 HydrophobicContact CB-CZ2 3.99Å; F233-W297 HydrophobicContact CD1-CH2 4.06Å; F233-W297 HydrophobicContact CD2-CH2 4.02Å; F233-W297 HydrophobicContact CD2-CZ2 4.47Å; F233-W297 AromaticContact CG-CH2 3.75Å; F233-W297 HydrophobicContact CG-CH2 3.75Å; F233-W297 HydrophobicContact CG-CZ2 4.21Å; F291-W297 AromaticContact CD2-CE3 3.57Å; F291-W297 HydrophobicContact CD2-CE3 3.57Å; F291-W297 AromaticContact CD2-CZ3 3.89Å; F291-W297 HydrophobicContact CD2-CZ3 3.89Å; F291-W297 AromaticContact CE2-CE3 3.93Å; F291-W297 HydrophobicContact CE2-CE3 3.93Å; P292-W297 WeakPolarHBondContact O-CZ3 3.42Å; M294-W297 HydrophobicContact CB-CD2 3.92Å; M294-W297 HydrophobicContact CB-CE3 4.3Å; M294-W297 HydrophobicContact CB-CG 4.2Å; M294-W297 HydrophobicContact CB-CZ2 4.33Å; M294-W297 HydrophobicContact CG-CD2 4.42Å; M294-W297 HydrophobicContact CG-CE3 4.4Å; M294-W297 HydrophobicContact CG-CH2 4.24Å; M294-W297 HydrophobicContact CG-CZ2 4.26Å; M294-W297 HydrophobicContact CG-CZ3 4.31Å; M294-W297 VanDerWaalsContact O-CB 3.26Å; M294-W297 WeakPolarHBondContact O-CB 3.27Å; M294-W297 PolarHBondContact O-N 2.93Å; G295-W297 VanDerWaalsContact C-N 3.29Å; G295-W297 PolarHBondContact O-N 3.38Å
298	K	95.5	Very high	95.6	Very high	127 Å²	127	35.1 Å²	35.1	55%	0.552	17%	0.169	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125	147.5	179.9	71.5	-179.8	-163.5	154.9	0	111.5	E221 I222 V223	E221-K298 IonicContact OE1-NZ 3.18Å; E221-K298 PolarHBondContact OE1-NZ 3.34Å; I222-K298 CarbonylContact O-C 3.5Å; I222-K298 VanDerWaalsContact O-CA 3.26Å; I222-K298 WeakPolarHBondContact O-CA 3.38Å; V223-K298 HydrophobicContact CB-CB 4.45Å; V223-K298 HydrophobicContact CG2-CB 3.72Å
299	T	95.9	Very high	95.5	Very high	16 Å²	16	33 Å²	33	10%	0.098	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	147.3	173.1	-171.5	0	0	0	0	109.2	I222 L293 Y301	I222-T299 HydrophobicContact CB-CG2 4.19Å; I222-T299 PolarHBondContact N-O 2.6Å; I222-T299 PolarHBondContact O-N 3.22Å; L293-T299 HydrophobicContact CD1-CG2 3.69Å; L293-T299 HydrophobicContact CD2-CG2 3.77Å; L293-T299 HydrophobicContact CG-CG2 4.32Å; T299-Y301 HydrophobicContact CG2-CD1 4.38Å
300	R	97	Very high	95.4	Very high	105 Å²	105	40.8 Å²	40.8	40%	0.396	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	129.1	173.3	-179.5	-176.9	-81.3	-172.1	-6.8	108.2	T219 L220 E221 E267	T219-R300 HydrophobicContact CG2-CG 4.37Å; L220-R300 VanDerWaalsContact O-CA 3.27Å; L220-R300 WeakPolarHBondContact O-CA 3.38Å; E221-R300 IonicContact OE2-CZ 2.76Å; E221-R300 IonicContact OE2-NE 2.81Å; E221-R300 IonicContact OE2-NH2 2.97Å; E221-R300 PolarHBondContact OE2-NH2 3.29Å; E267-R300 WeakPolarHBondContact OE1-CD 3.06Å; E267-R300 IonicContact OE1-CZ 3.35Å; E267-R300 IonicContact OE1-NE 2.8Å; E267-R300 IonicContact OE1-NH1 3.39Å; E267-R300 PolarHBondContact OE1-NH1 3.49Å
301	Y	96.7	Very high	95.4	Very high	2 Å²	2	37 Å²	37	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	164.1	176.5	67.3	-97.1	0	0	0	110.5	L220 I222 L251 Y264 R265 L287 T299 I303	L220-Y301 HydrophobicContact CD1-CD2 4.27Å; L220-Y301 HydrophobicContact CD1-CE2 3.69Å; L220-Y301 PolarHBondContact N-O 3.16Å; L220-Y301 PolarHBondContact O-N 3.06Å; L220-Y301 VanDerWaalsContact O-N 3.09Å; I222-Y301 HydrophobicContact CD1-CE1 3.59Å; I222-Y301 WeakPolarHBondContact CD1-OH 3.35Å; I222-Y301 HydrophobicContact CG1-CE1 4.07Å; L251-Y301 HydrophobicContact CD1-CE1 4Å; Y264-Y301 AromaticContact CD2-CD2 3.95Å; Y264-Y301 HydrophobicContact CD2-CD2 3.95Å; Y264-Y301 HydrophobicContact CD2-CG 4.38Å; Y264-Y301 HydrophobicContact CE2-CD1 4.32Å; Y264-Y301 AromaticContact CE2-CD2 3.51Å; Y264-Y301 HydrophobicContact CE2-CD2 3.51Å; Y264-Y301 HydrophobicContact CE2-CE2 4.21Å; Y264-Y301 AromaticContact CE2-CG 3.57Å; Y264-Y301 HydrophobicContact CE2-CG 3.57Å; R265-Y301 CarbonylContact O-C 3.52Å; R265-Y301 WeakPolarHBondContact O-CA 3.48Å; L287-Y301 HydrophobicContact CD1-CE2 3.85Å; T299-Y301 HydrophobicContact CG2-CD1 4.38Å; Y301-I303 HydrophobicContact CE2-CG2 4.34Å
302	T	97.6	Very high	95.4	Very high	16 Å²	16	35 Å²	35	10%	0.098	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	127.7	175.1	-58.6	0	0	0	0	108.8	E217 E218 T219 Y263 R265	E217-T302 VanDerWaalsContact CD-CG2 3.48Å; E217-T302 HydrophobicContact CG-CG2 3.36Å; E218-T302 CarbonylContact O-C 3.51Å; E218-T302 VanDerWaalsContact O-CA 3.24Å; E218-T302 WeakPolarHBondContact O-CA 3.14Å; T219-T302 PolarHBondContact OG1-OG1 2.92Å; T219-T302 VanDerWaalsContact OG1-OG1 3.06Å; Y263-T302 HydrophobicContact CE2-CG2 4.48Å; R265-T302 HydrophobicContact CG-CG2 4.45Å; R265-T302 PolarHBondContact N-O 3.47Å; R265-T302 PolarHBondContact O-N 3.48Å
303	I	97.4	Very high	95.5	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.015	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132.5	170	-176.6	169.4	0	0	0	108	E218 L220 T253 L255 Y263 L287 Y301	E218-I303 HydrophobicContact CB-CG2 3.94Å; E218-I303 PolarHBondContact N-O 2.88Å; E218-I303 PolarHBondContact O-N 2.82Å; L220-I303 HydrophobicContact CD1-CG2 4.04Å; T253-I303 HydrophobicContact CG2-CD1 3.93Å; L255-I303 HydrophobicContact CD1-CD1 4.36Å; Y263-I303 WeakPolarHBondContact O-CA 3.42Å; L287-I303 HydrophobicContact CD1-CD1 4.18Å; L287-I303 HydrophobicContact CD2-CD1 4.33Å; Y301-I303 HydrophobicContact CE2-CG2 4.34Å
304	G	97.4	Very high	95.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	154.2	174.1	0	0	0	0	0	112	V216 I262 Y263	V216-G304 CarbonylContact O-C 3.6Å; V216-G304 WeakPolarHBondContact O-CA 3.36Å; I262-G304 CarbonylContact C-O 3.51Å; I262-G304 VanDerWaalsContact CA-O 3.31Å; I262-G304 WeakPolarHBondContact CA-O 3.27Å; Y263-G304 WeakPolarHBondContact CD1-O 3.49Å; Y263-G304 VanDerWaalsContact CZ-CA 3.49Å; Y263-G304 PolarHBondContact N-O 2.94Å; Y263-G304 PolarHBondContact O-N 2.92Å
305	Y	97.3	Very high	95.5	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	154.9	-176.5	57.8	-84.8	0	0	0	110.7	V216 L255 P256 A259 I307 D328	V216-Y305 HydrophobicContact CB-CD1 4.5Å; V216-Y305 HydrophobicContact CB-CD2 4.43Å; V216-Y305 HydrophobicContact CB-CE1 4.04Å; V216-Y305 HydrophobicContact CB-CE2 3.99Å; V216-Y305 HydrophobicContact CG1-CE1 3.99Å; V216-Y305 HydrophobicContact CG2-CE2 4.17Å; V216-Y305 PolarHBondContact N-O 3.09Å; V216-Y305 PolarHBondContact O-N 2.67Å; L255-Y305 HydrophobicContact CD1-CD1 4.02Å; L255-Y305 HydrophobicContact CD1-CE1 4.43Å; L255-Y305 HydrophobicContact CD1-CG 4.22Å; L255-Y305 HydrophobicContact CD2-CD1 4.12Å; L255-Y305 HydrophobicContact CD2-CE1 3.7Å; P256-Y305 HydrophobicContact CG-CE2 4.47Å; A259-Y305 HydrophobicContact CB-CD2 3.85Å; A259-Y305 HydrophobicContact CB-CG 4.34Å; Y305-I307 HydrophobicContact CD2-CD1 4.27Å; Y305-I307 HydrophobicContact CD2-CG1 3.86Å; Y305-I307 HydrophobicContact CE2-CD1 3.73Å; Y305-I307 HydrophobicContact CE2-CG1 3.86Å; Y305-D328 PolarHBondContact OH-OD2 3.43Å
306	N	97.2	Very high	95.5	Very high	38 Å²	38	52 Å²	52	20%	0.203	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	143.8	176.6	-70.3	-38.9	0	0	0	110.6	A215 A259 K260 D261	A215-N306 WeakPolarHBondContact CB-OD1 3.49Å; A259-N306 CarbonylContact C-O 3.47Å; A259-N306 WeakPolarHBondContact CA-O 3.37Å; K260-N306 PolarHBondContact N-O 2.84Å; K260-N306 PolarHBondContact O-N 3.48Å; D261-N306 PolarHBondContact OD2-ND2 2.84Å
307	I	95.7	Very high	95.5	Very high	2 Å²	2	53 Å²	53	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	143.8	172.7	-47.5	176.7	0	0	0	109	N213 I214 V216 P256 Y305 A309 F312 M324	N213-I307 WeakPolarHBondContact CA-O 3.47Å; I214-I307 PolarHBondContact N-O 2.89Å; I214-I307 PolarHBondContact O-N 3.21Å; V216-I307 HydrophobicContact CG2-CD1 4.45Å; P256-I307 HydrophobicContact CB-CD1 4.36Å; P256-I307 HydrophobicContact CG-CD1 4.04Å; Y305-I307 HydrophobicContact CD2-CD1 4.27Å; Y305-I307 HydrophobicContact CD2-CG1 3.86Å; Y305-I307 HydrophobicContact CE2-CD1 3.73Å; Y305-I307 HydrophobicContact CE2-CG1 3.86Å; I307-A309 PolarHBondContact O-N 2.85Å; I307-F312 HydrophobicContact CD1-CD2 4.1Å; I307-F312 HydrophobicContact CD1-CE2 3.71Å; I307-F312 HydrophobicContact CG2-CD2 3.88Å; I307-F312 HydrophobicContact CG2-CE2 3.78Å; I307-M324 HydrophobicContact CD1-CE 4.11Å
308	P	96.1	Very high	95.4	Very high	21 Å²	21	52.4 Å²	52.4	14%	0.136	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	132.2	168.2	-21.4	32.8	0	0	0	112.2	Y310 E311	P308-Y310 VanDerWaalsContact C-N 3.26Å; P308-Y310 HydrophobicContact CB-CD1 3.6Å; P308-Y310 HydrophobicContact CB-CE1 3.16Å; P308-Y310 HydrophobicContact CB-CG 4.49Å; P308-Y310 HydrophobicContact CG-CE1 3.96Å; P308-Y310 PolarHBondContact O-N 3.43Å; P308-E311 PolarHBondContact O-N 2.97Å
309	A	94.5	Very high	95.4	Very high	10 Å²	10	50.6 Å²	50.6	8%	0.083	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-62.8	-31	-174.2	0	0	0	0	0	113.5	G212 I214 I307 E311 F312 L313	G212-A309 WeakPolarHBondContact O-CB 3.42Å; G212-A309 PolarHBondContact O-N 3.37Å; I214-A309 HydrophobicContact CD1-CB 4.36Å; I214-A309 HydrophobicContact CG1-CB 4.13Å; I307-A309 PolarHBondContact O-N 2.85Å; A309-E311 PolarHBondContact O-N 3.25Å; A309-F312 PolarHBondContact O-N 3.24Å; A309-L313 HydrophobicContact CB-CB 4.44Å; A309-L313 HydrophobicContact CB-CD2 4.42Å; A309-L313 WeakPolarHBondContact O-CA 3.39Å; A309-L313 WeakPolarHBondContact O-CB 3.12Å; A309-L313 PolarHBondContact O-N 2.97Å
310	Y	93.3	Very high	95.4	Very high	169 Å²	169	50.7 Å²	50.7	66%	0.663	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-61.7	-17.8	-174.9	68.2	-103.1	0	0	0	114.7	P308	P308-Y310 VanDerWaalsContact C-N 3.26Å; P308-Y310 HydrophobicContact CB-CD1 3.6Å; P308-Y310 HydrophobicContact CB-CE1 3.16Å; P308-Y310 HydrophobicContact CB-CG 4.49Å; P308-Y310 HydrophobicContact CG-CE1 3.96Å; P308-Y310 PolarHBondContact O-N 3.43Å
311	E	92.7	Very high	95.4	Very high	47 Å²	47	46.5 Å²	46.5	22%	0.22	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-79.5	-34.4	-178.5	-64.5	-172.8	176.4	0	0	112.8	S258 P308 A309 Y314	S258-E311 WeakPolarHBondContact CB-OE1 3.26Å; S258-E311 WeakPolarHBondContact CB-OE2 3.41Å; S258-E311 PolarHBondContact OG-OE1 2.85Å; S258-E311 PolarHBondContact OG-OE2 2.78Å; P308-E311 PolarHBondContact O-N 2.97Å; A309-E311 PolarHBondContact O-N 3.25Å; E311-Y314 PolarHBondContact O-OH 2.78Å
312	F	94.8	Very high	95.4	Very high	42 Å²	42	46.4 Å²	46.4	18%	0.184	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-12.4	-171.9	-66.3	-71.3	0	0	0	113	I214 P256 I307 A309 L322 V323 M324	I214-F312 HydrophobicContact CD1-CB 4.02Å; P256-F312 HydrophobicContact CB-CZ 4.48Å; P256-F312 HydrophobicContact CG-CZ 4.44Å; I307-F312 HydrophobicContact CD1-CD2 4.1Å; I307-F312 HydrophobicContact CD1-CE2 3.71Å; I307-F312 HydrophobicContact CG2-CD2 3.88Å; I307-F312 HydrophobicContact CG2-CE2 3.78Å; A309-F312 PolarHBondContact O-N 3.24Å; F312-L322 HydrophobicContact CB-CD1 4.4Å; F312-V323 WeakPolarHBondContact CB-O 3.25Å; F312-V323 WeakPolarHBondContact CD1-O 3.3Å; F312-V323 PolarHBondContact O-N 3.23Å; F312-M324 HydrophobicContact CB-CG 3.72Å; F312-M324 HydrophobicContact CB-SD 4.33Å; F312-M324 HydrophobicContact CD1-CG 3.87Å; F312-M324 HydrophobicContact CD2-CE 4.47Å; F312-M324 HydrophobicContact CG-CG 3.85Å
313	L	95.5	Very high	95.4	Very high	20 Å²	20	47.4 Å²	47.4	11%	0.105	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	114.8	179.5	-169.1	70.3	0	0	0	111.2	V208 I214 A309 F320 L322 Y399	V208-L313 HydrophobicContact CG1-CD2 4.45Å; I214-L313 HydrophobicContact CD1-CB 4.47Å; A309-L313 HydrophobicContact CB-CB 4.44Å; A309-L313 HydrophobicContact CB-CD2 4.42Å; A309-L313 WeakPolarHBondContact O-CA 3.39Å; A309-L313 WeakPolarHBondContact O-CB 3.12Å; A309-L313 PolarHBondContact O-N 2.97Å; L313-F320 HydrophobicContact CD1-CB 4.35Å; L313-F320 HydrophobicContact CD1-CD1 4.39Å; L313-F320 HydrophobicContact CD2-CD1 4.07Å; L313-F320 HydrophobicContact CG-CD1 4.18Å; L313-L322 HydrophobicContact CD1-CB 4.26Å; L313-L322 HydrophobicContact CD1-CD1 4.46Å; L313-Y399 HydrophobicContact CD1-CE1 4.26Å; L313-Y399 VanDerWaalsContact CD1-OH 3.3Å; L313-Y399 WeakPolarHBondContact CD1-OH 2.96Å
314	Y	95.6	Very high	95.3	Very high	131 Å²	131	47.3 Å²	47.3	51%	0.514	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	147.4	176.3	-57.5	-92.3	0	0	0	109.6	E311 F320 A321 V323	E311-Y314 PolarHBondContact O-OH 2.78Å; Y314-F320 CarbonylContact O-C 3.48Å; Y314-F320 WeakPolarHBondContact O-CA 3.47Å; Y314-A321 PolarHBondContact N-O 3.38Å; Y314-A321 PolarHBondContact O-N 2.83Å; Y314-V323 HydrophobicContact CD2-CG2 4.21Å; Y314-V323 HydrophobicContact CE2-CB 4.22Å; Y314-V323 HydrophobicContact CE2-CG2 4.21Å
315	H	93.5	Very high	95.3	Very high	139 Å²	139	48.3 Å²	48.3	64%	0.644	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.9	149.5	178.5	77	94.5	0	0	0	112.7	N319 F320	H315-N319 CarbonylContact C-O 3.51Å; H315-N319 VanDerWaalsContact CA-O 3.32Å; H315-N319 WeakPolarHBondContact CA-O 3.41Å; H315-F320 HydrophobicContact CB-CD1 3.46Å; H315-F320 VanDerWaalsContact CB-CD1 3.46Å; H315-F320 HydrophobicContact CB-CE1 3.45Å; H315-F320 VanDerWaalsContact CB-CE1 3.45Å; H315-F320 HydrophobicContact CB-CG 4.17Å; H315-F320 HydrophobicContact CB-CZ 4.13Å
316	S	93.7	Very high	95.2	Very high	92 Å²	92	48.3 Å²	48.3	64%	0.643	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.2	102.4	172.3	-170.7	0	0	0	0	108.7	N319	S316-N319 PolarHBondContact N-O 2.78Å; S316-N319 PolarHBondContact O-N 2.82Å; S316-N319 VanDerWaalsContact O-N 3.15Å
317	G	92.2	Very high	95	Very high	57 Å²	57	46.5 Å²	46.5	59%	0.588	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	-127.5	-170.5	0	0	0	0	0	111.4	N319	G317-N319 VanDerWaalsContact C-N 3.31Å
318	P	93.8	Very high	94.9	Very high	62 Å²	62	47.1 Å²	47.1	40%	0.403	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-3.7	177.1	35.9	-36.1	0	0	0	113.7	F320 R400 F401	P318-F320 WeakPolarHBondContact O-CD2 3.34Å; P318-R400 HydrophobicContact CB-CG 4.14Å; P318-R400 CarbonylContact O-C 3.39Å; P318-R400 WeakPolarHBondContact O-CA 3.49Å; P318-F401 PolarHBondContact O-N 2.84Å; P318-F401 VanDerWaalsContact O-O 3.13Å
319	N	95.7	Very high	94.8	Very high	89 Å²	89	48.2 Å²	48.2	48%	0.476	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	128.9	-178.1	-60.2	-38.3	0	0	0	109.8	H315 S316 G317	H315-N319 CarbonylContact C-O 3.51Å; H315-N319 VanDerWaalsContact CA-O 3.32Å; H315-N319 WeakPolarHBondContact CA-O 3.41Å; S316-N319 PolarHBondContact N-O 2.78Å; S316-N319 PolarHBondContact O-N 2.82Å; S316-N319 VanDerWaalsContact O-N 3.15Å; G317-N319 VanDerWaalsContact C-N 3.31Å
320	F	96.5	Very high	94.8	Very high	19 Å²	19	47.8 Å²	47.8	8%	0.083	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	145.1	178.4	-70.1	-93.8	0	0	0	110.1	H210 L313 Y314 H315 P318 N398 Y399 F401	H210-F320 AromaticContact CE1-CD1 3.42Å; H210-F320 VanDerWaalsContact CE1-CD1 3.42Å; H210-F320 WeakPolarHBondContact CE1-CD1 3.31Å; H210-F320 AromaticContact CE1-CE1 3.46Å; H210-F320 VanDerWaalsContact CE1-CE1 3.46Å; H210-F320 WeakPolarHBondContact CE1-CE1 3.38Å; H210-F320 AromaticContact CE1-CG 3.71Å; H210-F320 AromaticContact CE1-CZ 3.8Å; H210-F320 AromaticContact ND1-CE1 3.79Å; L313-F320 HydrophobicContact CD1-CB 4.35Å; L313-F320 HydrophobicContact CD1-CD1 4.39Å; L313-F320 HydrophobicContact CD2-CD1 4.07Å; L313-F320 HydrophobicContact CG-CD1 4.18Å; Y314-F320 CarbonylContact O-C 3.48Å; Y314-F320 WeakPolarHBondContact O-CA 3.47Å; H315-F320 HydrophobicContact CB-CD1 3.46Å; H315-F320 VanDerWaalsContact CB-CD1 3.46Å; H315-F320 HydrophobicContact CB-CE1 3.45Å; H315-F320 VanDerWaalsContact CB-CE1 3.45Å; H315-F320 HydrophobicContact CB-CG 4.17Å; H315-F320 HydrophobicContact CB-CZ 4.13Å; P318-F320 WeakPolarHBondContact O-CD2 3.34Å; F320-N398 CarbonylContact O-C 3.56Å; F320-N398 WeakPolarHBondContact O-CA 3.11Å; F320-Y399 HydrophobicContact CB-CD1 4.25Å; F320-Y399 HydrophobicContact CB-CD2 4.19Å; F320-Y399 HydrophobicContact CB-CE1 3.8Å; F320-Y399 HydrophobicContact CB-CE2 3.73Å; F320-Y399 HydrophobicContact CB-CG 4.44Å; F320-Y399 HydrophobicContact CD2-CE2 4.45Å; F320-Y399 HydrophobicContact CG-CE2 4.23Å; F320-Y399 PolarHBondContact N-O 2.9Å; F320-Y399 PolarHBondContact O-N 3.12Å; F320-F401 HydrophobicContact CD2-CB 3.83Å; F320-F401 HydrophobicContact CE2-CB 3.89Å; F320-F401 HydrophobicContact CE2-CD1 4.19Å; F320-F401 WeakPolarHBondContact CE2-O 3.36Å
321	A	96.9	Very high	94.7	Very high	16 Å²	16	40.7 Å²	40.7	13%	0.132	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	115.5	175.9	0	0	0	0	0	109.3	Y314 V397 N398	Y314-A321 PolarHBondContact N-O 3.38Å; Y314-A321 PolarHBondContact O-N 2.83Å; A321-V397 CarbonylContact C-O 3.53Å; A321-V397 VanDerWaalsContact CA-O 3.31Å; A321-V397 WeakPolarHBondContact CA-O 3.48Å; A321-N398 WeakPolarHBondContact CB-OD1 3.17Å
322	L	97.2	Very high	94.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	126.1	170.8	178.3	72	0	0	0	108.6	V208 I214 F312 L313 M324 I343 F395 K396 V397	V208-L322 HydrophobicContact CG2-CD1 4.23Å; V208-L322 HydrophobicContact CG2-CD2 3.8Å; I214-L322 HydrophobicContact CD1-CD1 3.75Å; F312-L322 HydrophobicContact CB-CD1 4.4Å; L313-L322 HydrophobicContact CD1-CB 4.26Å; L313-L322 HydrophobicContact CD1-CD1 4.46Å; L322-M324 HydrophobicContact CD1-CG 3.92Å; L322-M324 HydrophobicContact CD1-SD 3.83Å; L322-M324 HydrophobicContact CG-CG 4.22Å; L322-M324 HydrophobicContact CG-SD 4.4Å; L322-I343 HydrophobicContact CD2-CG2 3.89Å; L322-F395 HydrophobicContact CD2-CE2 4.05Å; L322-F395 HydrophobicContact CD2-CZ 4.2Å; L322-F395 HydrophobicContact CG-CE2 4.48Å; L322-K396 CarbonylContact O-C 3.55Å; L322-K396 VanDerWaalsContact O-CA 3.31Å; L322-K396 WeakPolarHBondContact O-CA 3.11Å; L322-V397 HydrophobicContact CB-CB 4.36Å; L322-V397 PolarHBondContact N-O 3.4Å; L322-V397 PolarHBondContact O-N 3.08Å
323	V	97	Very high	94.4	Very high	37 Å²	37	45.4 Å²	45.4	22%	0.224	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	117.2	174	-178.4	0	0	0	0	107.8	F312 Y314 D394 F395 K396	F312-V323 WeakPolarHBondContact CB-O 3.25Å; F312-V323 WeakPolarHBondContact CD1-O 3.3Å; F312-V323 PolarHBondContact O-N 3.23Å; Y314-V323 HydrophobicContact CD2-CG2 4.21Å; Y314-V323 HydrophobicContact CE2-CB 4.22Å; Y314-V323 HydrophobicContact CE2-CG2 4.21Å; V323-D394 HydrophobicContact CG1-CB 3.84Å; V323-F395 WeakPolarHBondContact CA-O 3.42Å; V323-K396 HydrophobicContact CG2-CB 4.37Å; V323-K396 HydrophobicContact CG2-CD 4.48Å; V323-K396 HydrophobicContact CG2-CG 4.06Å
324	M	95.8	Very high	94.4	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	157.7	180	-70.1	-171.9	76.6	0	0	111.2	I206 I214 V216 I307 F312 L322 F326 D394 F395	I206-M324 HydrophobicContact CD1-CE 4.46Å; I206-M324 HydrophobicContact CD1-SD 4.18Å; I206-M324 HydrophobicContact CG2-SD 3.76Å; I214-M324 HydrophobicContact CD1-SD 4.47Å; I214-M324 HydrophobicContact CG2-CE 4.45Å; I214-M324 HydrophobicContact CG2-SD 4.03Å; V216-M324 HydrophobicContact CG2-CE 3.86Å; I307-M324 HydrophobicContact CD1-CE 4.11Å; F312-M324 HydrophobicContact CB-CG 3.72Å; F312-M324 HydrophobicContact CB-SD 4.33Å; F312-M324 HydrophobicContact CD1-CG 3.87Å; F312-M324 HydrophobicContact CD2-CE 4.47Å; F312-M324 HydrophobicContact CG-CG 3.85Å; L322-M324 HydrophobicContact CD1-CG 3.92Å; L322-M324 HydrophobicContact CD1-SD 3.83Å; L322-M324 HydrophobicContact CG-CG 4.22Å; L322-M324 HydrophobicContact CG-SD 4.4Å; M324-F326 PolarHBondContact O-N 3.22Å; M324-D394 CarbonylContact O-C 3.55Å; M324-D394 VanDerWaalsContact O-CA 3.25Å; M324-D394 WeakPolarHBondContact O-CA 3.27Å; M324-F395 HydrophobicContact CB-CE1 3.82Å; M324-F395 HydrophobicContact CB-CZ 3.87Å; M324-F395 PolarHBondContact N-O 2.8Å; M324-F395 WeakPolarHBondContact O-CD1 2.98Å; M324-F395 VanDerWaalsContact O-CE1 3.3Å; M324-F395 WeakPolarHBondContact O-CE1 3.3Å; M324-F395 PolarHBondContact O-N 2.87Å
325	P	95.7	Very high	94.3	Very high	21 Å²	21	38.3 Å²	38.3	14%	0.136	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	133.4	173.1	-23.8	33.6	0	0	0	111.8	V327 D394	P325-V327 VanDerWaalsContact C-N 3.26Å; P325-V327 PolarHBondContact O-N 2.69Å; P325-D394 WeakPolarHBondContact CA-OD1 3.47Å
326	F	95.5	Very high	94.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-64.7	-34.6	175.6	-170.2	-85.8	0	0	0	112	M324 L339 L341 T356 P357 F358 V360 C382 A384 L387 Q393 F395	M324-F326 PolarHBondContact O-N 3.22Å; F326-L339 HydrophobicContact CD1-CD2 4.14Å; F326-L339 HydrophobicContact CE1-CD2 3.61Å; F326-L339 HydrophobicContact CZ-CD2 4.29Å; F326-L341 HydrophobicContact CD2-CD2 3.49Å; F326-L341 VanDerWaalsContact CD2-CD2 3.49Å; F326-L341 HydrophobicContact CE2-CB 4.34Å; F326-L341 HydrophobicContact CE2-CD2 3.52Å; F326-L341 HydrophobicContact CG-CD2 4.15Å; F326-L341 HydrophobicContact CZ-CB 4.24Å; F326-L341 HydrophobicContact CZ-CD2 4.2Å; F326-T356 HydrophobicContact CE2-CG2 4.48Å; F326-P357 HydrophobicContact CB-CG 4.33Å; F326-F358 HydrophobicContact CB-CZ 4.38Å; F326-F358 HydrophobicContact CD1-CE1 4.41Å; F326-F358 HydrophobicContact CD1-CE2 4.14Å; F326-F358 AromaticContact CD1-CZ 3.51Å; F326-F358 HydrophobicContact CD1-CZ 3.51Å; F326-F358 HydrophobicContact CE1-CE2 4.05Å; F326-F358 AromaticContact CE1-CZ 3.89Å; F326-F358 HydrophobicContact CE1-CZ 3.89Å; F326-F358 AromaticContact CG-CZ 3.96Å; F326-F358 HydrophobicContact CG-CZ 3.96Å; F326-V360 HydrophobicContact CE2-CG1 3.95Å; F326-V360 HydrophobicContact CZ-CG1 3.78Å; F326-C382 HydrophobicContact CE2-CB 3.95Å; F326-C382 HydrophobicContact CZ-CB 4.07Å; F326-A384 HydrophobicContact CE1-CB 3.77Å; F326-A384 HydrophobicContact CZ-CB 4.07Å; F326-L387 HydrophobicContact CE1-CD1 4.41Å; F326-Q393 PolarHBondContact N-O 2.87Å; F326-F395 HydrophobicContact CB-CD1 4.14Å; F326-F395 HydrophobicContact CD2-CB 4.28Å; F326-F395 HydrophobicContact CD2-CD1 4.27Å
327	V	94.4	Very high	94.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-140.3	139.8	174.1	62.6	0	0	0	0	108.6	M202 P325 I336 L339 H391 I392	M202-V327 HydrophobicContact SD-CG2 4.45Å; P325-V327 VanDerWaalsContact C-N 3.26Å; P325-V327 PolarHBondContact O-N 2.69Å; V327-I336 HydrophobicContact CG2-CD1 3.42Å; V327-I336 VanDerWaalsContact CG2-CD1 3.42Å; V327-L339 HydrophobicContact CB-CD1 3.83Å; V327-L339 HydrophobicContact CG2-CD1 3.56Å; V327-H391 HydrophobicContact CG1-CB 4.27Å; V327-H391 WeakPolarHBondContact CG1-O 3.16Å; V327-I392 HydrophobicContact CG1-CG1 4.15Å
328	D	93	Very high	94.8	Very high	16 Å²	16	31.9 Å²	31.9	9%	0.086	16%	0.161	C	C	.	.			trans	-91	172.5	175.6	-116.9	-54.7	0	0	0	112.3	R204 Y305 V330 Q334	R204-D328 IonicContact CZ-OD2 3.36Å; R204-D328 IonicContact NH1-OD2 3.41Å; R204-D328 PolarHBondContact NH1-OD2 2.86Å; R204-D328 IonicContact NH2-OD2 2.66Å; R204-D328 PolarHBondContact NH2-OD2 3.42Å; Y305-D328 PolarHBondContact OH-OD2 3.43Å; D328-V330 PolarHBondContact O-N 3.48Å; D328-Q334 PolarHBondContact O-NE2 2.8Å; D328-Q334 PolarHBondContact O-OE1 2.74Å
329	H	94.5	Very high	94.9	Very high	43 Å²	43	29 Å²	29	20%	0.199	14%	0.142	C	C	.	.			trans	-72.6	102.8	164.2	178.9	-75.5	0	0	0	111.8	K252 T253 V254 Y331 K332 I392	K252-H329 PolarHBondContact O-CE1 2.76Å; T253-H329 PolarHBondContact OG1-O 3.41Å; V254-H329 HydrophobicContact CB-CB 4.4Å; V254-H329 PolarHBondContact N-O 2.78Å; H329-Y331 VanDerWaalsContact CE1-C 3.48Å; H329-K332 PolarHBondContact NE2-N 3.06Å; H329-I392 HydrophobicContact CB-CD1 4.15Å
330	V	93	Very high	95	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.012	13%	0.128	C	C	.	.			trans	-81.1	-49	172.8	-174.3	0	0	0	0	111.2	M202 L220 I222 T253 D328 Q334 I336	M202-V330 HydrophobicContact CE-CG2 3.93Å; M202-V330 HydrophobicContact SD-CG2 4.1Å; L220-V330 HydrophobicContact CD2-CB 4.25Å; L220-V330 HydrophobicContact CD2-CG1 3.39Å; L220-V330 HydrophobicContact CD2-CG2 3.78Å; I222-V330 HydrophobicContact CD1-CG1 4.5Å; T253-V330 VanDerWaalsContact CA-O 3.31Å; T253-V330 WeakPolarHBondContact CA-O 3.24Å; T253-V330 VanDerWaalsContact CB-O 3.3Å; T253-V330 WeakPolarHBondContact CB-O 3.44Å; D328-V330 PolarHBondContact O-N 3.48Å; V330-Q334 VanDerWaalsContact CB-OE1 3.3Å; V330-I336 HydrophobicContact CG2-CD1 4.42Å
331	Y	92.8	Very high	95.1	Very high	19 Å²	19	25.3 Å²	25.3	8%	0.075	12%	0.124	C	C	.	.	S	Bend	trans	-156.1	164.4	174.3	61.6	-88.5	0	0	0	110.1	L197 V199 H329 N333 Q334 F335	L197-Y331 VanDerWaalsContact C-OH 3.3Å; L197-Y331 HydrophobicContact CB-CE1 4.48Å; L197-Y331 HydrophobicContact CB-CE2 3.86Å; L197-Y331 HydrophobicContact CD2-CD1 3.74Å; L197-Y331 HydrophobicContact CD2-CD2 4.13Å; L197-Y331 HydrophobicContact CD2-CE1 3.64Å; L197-Y331 HydrophobicContact CD2-CE2 4.01Å; L197-Y331 HydrophobicContact CD2-CG 4Å; L197-Y331 HydrophobicContact CG-CE1 4.15Å; L197-Y331 HydrophobicContact CG-CE2 4.37Å; L197-Y331 PolarHBondContact O-OH 2.9Å; V199-Y331 HydrophobicContact CG2-CE1 3.69Å; H329-Y331 VanDerWaalsContact CE1-C 3.48Å; Y331-N333 PolarHBondContact O-N 3.37Å; Y331-Q334 HydrophobicContact CD1-CB 4.26Å; Y331-Q334 HydrophobicContact CD2-CB 4.31Å; Y331-Q334 HydrophobicContact CE1-CB 3.99Å; Y331-Q334 VanDerWaalsContact CE2-CA 3.49Å; Y331-Q334 HydrophobicContact CE2-CB 4.07Å; Y331-Q334 HydrophobicContact CG-CB 4.4Å; Y331-Q334 WeakPolarHBondContact O-CB 3.44Å; Y331-Q334 PolarHBondContact O-N 2.75Å; Y331-F335 PolarHBondContact OH-N 2.84Å; Y331-F335 VanDerWaalsContact OH-N 3.15Å; Y331-F335 PolarHBondContact OH-O 3.19Å
332	K	90.7	Very high	95.1	Very high	163 Å²	163	27.2 Å²	27.2	71%	0.709	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	129.2	-176	-172.8	-179.2	-178.9	171	0	112.5	H329	H329-K332 PolarHBondContact NE2-N 3.06Å
333	N	90.5	Very high	95.1	Very high	26 Å²	26	27.2 Å²	27.2	14%	0.139	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	53.4	-173.3	-43.9	-73.2	0	0	0	111.4	K27 I30 Y331 D389	K27-N333 HydrophobicContact CB-CB 4.33Å; K27-N333 WeakPolarHBondContact CD-OD1 3.4Å; I30-N333 HydrophobicContact CD1-CB 4.11Å; I30-N333 HydrophobicContact CG1-CB 4.37Å; Y331-N333 PolarHBondContact O-N 3.37Å; N333-D389 WeakPolarHBondContact CA-OD2 3.25Å; N333-D389 PolarHBondContact N-OD2 3.12Å
334	Q	93.7	Very high	95.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.119	C	C	.	.			trans	-67.9	150.6	-177.4	76.7	-162.4	-4.8	0	0	112.3	D328 V330 Y331 I336 V388 D389	D328-Q334 PolarHBondContact O-NE2 2.8Å; D328-Q334 PolarHBondContact O-OE1 2.74Å; V330-Q334 VanDerWaalsContact CB-OE1 3.3Å; Y331-Q334 HydrophobicContact CD1-CB 4.26Å; Y331-Q334 HydrophobicContact CD2-CB 4.31Å; Y331-Q334 HydrophobicContact CE1-CB 3.99Å; Y331-Q334 VanDerWaalsContact CE2-CA 3.49Å; Y331-Q334 HydrophobicContact CE2-CB 4.07Å; Y331-Q334 HydrophobicContact CG-CB 4.4Å; Y331-Q334 WeakPolarHBondContact O-CB 3.44Å; Y331-Q334 PolarHBondContact O-N 2.75Å; Q334-I336 HydrophobicContact CG-CD1 4.18Å; Q334-I336 HydrophobicContact CG-CG1 4.49Å; Q334-V388 WeakPolarHBondContact O-CA 3.44Å; Q334-D389 VanDerWaalsContact CG-OD1 3.29Å; Q334-D389 WeakPolarHBondContact CG-OD1 3.39Å; Q334-D389 PolarHBondContact N-OD1 3.19Å
335	F	95.2	Very high	95.2	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	115.6	168.7	170.8	-135.2	0	0	0	108.3	I30 T107 E108 T198 V199 Y331 R337 N386	I30-F335 HydrophobicContact CG2-CB 3.97Å; I30-F335 HydrophobicContact CG2-CG 4.44Å; T107-F335 HydrophobicContact CG2-CD2 3.46Å; T107-F335 VanDerWaalsContact CG2-CD2 3.46Å; T107-F335 HydrophobicContact CG2-CE2 3.59Å; T107-F335 HydrophobicContact CG2-CG 4.11Å; T107-F335 HydrophobicContact CG2-CZ 4.29Å; E108-F335 HydrophobicContact CG-CE1 3.53Å; E108-F335 HydrophobicContact CG-CZ 3.73Å; T198-F335 HydrophobicContact CG2-CD1 3.51Å; T198-F335 HydrophobicContact CG2-CE1 3.48Å; T198-F335 VanDerWaalsContact CG2-CE1 3.48Å; T198-F335 HydrophobicContact CG2-CG 4.46Å; T198-F335 HydrophobicContact CG2-CZ 4.41Å; T198-F335 WeakPolarHBondContact OG1-CD1 3.36Å; V199-F335 PolarHBondContact N-O 3.38Å; Y331-F335 PolarHBondContact OH-N 2.84Å; Y331-F335 VanDerWaalsContact OH-N 3.15Å; Y331-F335 PolarHBondContact OH-O 3.19Å; F335-R337 HydrophobicContact CZ-CB 4.25Å; F335-N386 WeakPolarHBondContact CE2-OD1 3.46Å
336	I	96.3	Very high	95.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	113.9	179.3	-60.4	157.3	0	0	0	107.5	V199 M202 V327 V330 Q334 N338 L339 N386 L387	V199-I336 HydrophobicContact CB-CB 4.29Å; V199-I336 HydrophobicContact CB-CG1 3.86Å; V199-I336 HydrophobicContact CB-CG2 4.35Å; V199-I336 HydrophobicContact CG1-CG1 4.47Å; V199-I336 HydrophobicContact CG1-CG2 4.48Å; V199-I336 HydrophobicContact CG2-CG1 3.91Å; V199-I336 WeakPolarHBondContact O-CA 3.49Å; M202-I336 HydrophobicContact CB-CG2 3.97Å; M202-I336 HydrophobicContact SD-CD1 3.74Å; M202-I336 HydrophobicContact SD-CG1 4.37Å; V327-I336 HydrophobicContact CG2-CD1 3.42Å; V327-I336 VanDerWaalsContact CG2-CD1 3.42Å; V330-I336 HydrophobicContact CG2-CD1 4.42Å; Q334-I336 HydrophobicContact CG-CD1 4.18Å; Q334-I336 HydrophobicContact CG-CG1 4.49Å; I336-N338 WeakPolarHBondContact CG2-O 3.39Å; I336-L339 HydrophobicContact CG2-CB 4.07Å; I336-N386 CarbonylContact O-C 3.54Å; I336-N386 PolarHBondContact O-N 3.05Å; I336-L387 HydrophobicContact CB-CB 4.23Å; I336-L387 PolarHBondContact N-O 3.44Å; I336-L387 PolarHBondContact O-N 3.05Å
337	R	95.6	Very high	94.9	Very high	86 Å²	86	25.4 Å²	25.4	33%	0.325	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-50	-177.9	-173.6	-179.2	-66.7	138.5	0	111	E108 V199 F335 A385 N386	E108-R337 IonicContact OE1-CZ 3.64Å; E108-R337 IonicContact OE1-NE 2.73Å; E108-R337 PolarHBondContact OE1-NE 2.94Å; E108-R337 IonicContact OE1-NH2 3.45Å; E108-R337 PolarHBondContact OE1-NH2 3.1Å; V199-R337 PolarHBondContact O-N 3.2Å; F335-R337 HydrophobicContact CZ-CB 4.25Å; R337-A385 CarbonylContact O-C 3.54Å; R337-A385 WeakPolarHBondContact O-CA 3.14Å; R337-A385 VanDerWaalsContact O-CB 3.29Å; R337-A385 WeakPolarHBondContact O-CB 3.31Å; R337-N386 PolarHBondContact O-N 3.27Å
338	N	96.7	Very high	94.7	Very high	67 Å²	67	27.6 Å²	27.6	36%	0.358	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.3	176.7	-56.2	-43.1	0	0	0	110.6	T200 D201 M202 I336	T200-N338 PolarHBondContact O-N 2.64Å; D201-N338 WeakPolarHBondContact OD1-CB 3.37Å; D201-N338 PolarHBondContact OD1-ND2 2.98Å; M202-N338 PolarHBondContact N-O 3.25Å; I336-N338 WeakPolarHBondContact CG2-O 3.39Å
339	L	97.2	Very high	94.7	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	129.6	172.7	-173.5	144.6	0	0	0	110.3	M202 F326 V327 I336 L341 K383 A384 L387	M202-L339 HydrophobicContact CB-CG 4.48Å; M202-L339 HydrophobicContact CG-CD1 4.23Å; M202-L339 CarbonylContact O-C 3.57Å; M202-L339 WeakPolarHBondContact O-CA 3.23Å; M202-L339 HydrophobicContact SD-CD1 3.77Å; F326-L339 HydrophobicContact CD1-CD2 4.14Å; F326-L339 HydrophobicContact CE1-CD2 3.61Å; F326-L339 HydrophobicContact CZ-CD2 4.29Å; V327-L339 HydrophobicContact CB-CD1 3.83Å; V327-L339 HydrophobicContact CG2-CD1 3.56Å; I336-L339 HydrophobicContact CG2-CB 4.07Å; L339-L341 HydrophobicContact CD2-CB 3.92Å; L339-K383 WeakPolarHBondContact O-CA 3.36Å; L339-A384 PolarHBondContact N-O 2.85Å; L339-A384 PolarHBondContact O-N 3.49Å; L339-L387 HydrophobicContact CB-CD1 3.57Å; L339-L387 HydrophobicContact CD1-CD1 3.83Å; L339-L387 HydrophobicContact CD2-CD1 4.43Å; L339-L387 HydrophobicContact CG-CD1 4.15Å
340	T	97.5	Very high	94.6	Very high	31 Å²	31	28.7 Å²	28.7	19%	0.19	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	109.3	169	-58.2	0	0	0	0	108.5	M202 T203 R204 K342 V381 K383	M202-T340 PolarHBondContact O-N 2.94Å; T203-T340 WeakPolarHBondContact CA-O 3.3Å; R204-T340 PolarHBondContact N-O 3.09Å; T340-K342 HydrophobicContact CG2-CG 4.16Å; T340-V381 HydrophobicContact CG2-CG1 3.8Å; T340-K383 HydrophobicContact CG2-CG 4.27Å
341	L	97.7	Very high	94.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	124.7	172.7	178.9	64.8	0	0	0	108.6	R204 I206 F326 L339 I343 V381 C382 F395	R204-L341 HydrophobicContact CB-CD1 4.12Å; R204-L341 HydrophobicContact CG-CD1 3.96Å; R204-L341 CarbonylContact O-C 3.59Å; R204-L341 WeakPolarHBondContact O-CA 3.31Å; I206-L341 HydrophobicContact CD1-CD1 3.83Å; I206-L341 HydrophobicContact CG1-CD1 4.28Å; F326-L341 HydrophobicContact CD2-CD2 3.49Å; F326-L341 VanDerWaalsContact CD2-CD2 3.49Å; F326-L341 HydrophobicContact CE2-CB 4.34Å; F326-L341 HydrophobicContact CE2-CD2 3.52Å; F326-L341 HydrophobicContact CG-CD2 4.15Å; F326-L341 HydrophobicContact CZ-CB 4.24Å; F326-L341 HydrophobicContact CZ-CD2 4.2Å; L339-L341 HydrophobicContact CD2-CB 3.92Å; L341-I343 HydrophobicContact CD1-CG1 4.34Å; L341-I343 HydrophobicContact CD2-CD1 4Å; L341-I343 HydrophobicContact CD2-CG1 4.25Å; L341-I343 HydrophobicContact CG-CD1 4.3Å; L341-I343 HydrophobicContact CG-CG1 4.02Å; L341-V381 CarbonylContact O-C 3.55Å; L341-V381 WeakPolarHBondContact O-CA 3.16Å; L341-C382 HydrophobicContact CB-CB 4.32Å; L341-C382 PolarHBondContact N-O 2.97Å; L341-C382 PolarHBondContact O-N 2.94Å; L341-F395 HydrophobicContact CD2-CD1 3.95Å; L341-F395 HydrophobicContact CD2-CE1 3.89Å; L341-F395 HydrophobicContact CD2-CZ 4.41Å
342	K	97.8	Very high	94.7	Very high	56 Å²	56	33.9 Å²	33.9	24%	0.243	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	116.6	174	-63.8	-158.1	174.4	-152.3	0	109.3	R204 L205 I206 T340 E366 V379 I380 V381	R204-K342 PolarHBondContact O-N 2.76Å; L205-K342 CarbonylContact C-O 3.56Å; L205-K342 WeakPolarHBondContact CA-O 3.49Å; I206-K342 PolarHBondContact N-O 2.73Å; T340-K342 HydrophobicContact CG2-CG 4.16Å; K342-E366 IonicContact NZ-OE1 3.79Å; K342-E366 IonicContact NZ-OE2 3.53Å; K342-E366 PolarHBondContact NZ-OE2 2.89Å; K342-V379 HydrophobicContact CB-CG1 3.96Å; K342-V379 HydrophobicContact CD-CG1 4.41Å; K342-V379 HydrophobicContact CG-CG1 4.49Å; K342-I380 CarbonylContact C-O 3.48Å; K342-I380 WeakPolarHBondContact CA-O 3.27Å; K342-V381 HydrophobicContact CD-CG2 4.33Å; K342-V381 HydrophobicContact CG-CG1 4.47Å; K342-V381 HydrophobicContact CG-CG2 4.14Å
343	I	97.5	Very high	94.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	109.7	178.6	-53.5	163.4	0	0	0	107.7	I206 L322 L341 L345 I354 V379 I380 F395 V397	I206-I343 CarbonylContact O-C 3.57Å; I206-I343 WeakPolarHBondContact O-CA 3.24Å; L322-I343 HydrophobicContact CD2-CG2 3.89Å; L341-I343 HydrophobicContact CD1-CG1 4.34Å; L341-I343 HydrophobicContact CD2-CD1 4Å; L341-I343 HydrophobicContact CD2-CG1 4.25Å; L341-I343 HydrophobicContact CG-CD1 4.3Å; L341-I343 HydrophobicContact CG-CG1 4.02Å; I343-L345 HydrophobicContact CG2-CD2 4.07Å; I343-I354 HydrophobicContact CD1-CD1 4.06Å; I343-V379 CarbonylContact O-C 3.56Å; I343-V379 VanDerWaalsContact O-CA 3.3Å; I343-V379 WeakPolarHBondContact O-CA 3.47Å; I343-I380 HydrophobicContact CB-CB 4.22Å; I343-I380 HydrophobicContact CB-CG1 4.47Å; I343-I380 PolarHBondContact N-O 2.83Å; I343-I380 PolarHBondContact O-N 3.41Å; I343-F395 HydrophobicContact CD1-CD2 3.94Å; I343-F395 HydrophobicContact CD1-CE1 4.42Å; I343-F395 HydrophobicContact CD1-CE2 3.31Å; I343-F395 HydrophobicContact CD1-CZ 3.59Å; I343-F395 HydrophobicContact CG1-CE2 4.26Å; I343-F395 HydrophobicContact CG1-CZ 4.1Å; I343-V397 HydrophobicContact CD1-CG2 3.79Å
344	I	96.9	Very high	95	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.015	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	111.7	178.4	-50.3	179.9	0	0	0	107.9	L205 I206 E207 V208 M368 R377 V379	L205-I344 HydrophobicContact CD1-CD1 3.94Å; L205-I344 HydrophobicContact CD2-CD1 3.8Å; L205-I344 HydrophobicContact CG-CD1 3.89Å; L205-I344 HydrophobicContact CG-CG1 4.42Å; I206-I344 PolarHBondContact O-N 3.07Å; E207-I344 HydrophobicContact CB-CB 4.3Å; E207-I344 HydrophobicContact CB-CD1 4.39Å; E207-I344 HydrophobicContact CG-CB 4.25Å; E207-I344 HydrophobicContact CG-CG2 4.34Å; V208-I344 PolarHBondContact N-O 2.99Å; I344-M368 HydrophobicContact CD1-CE 4.26Å; I344-M368 HydrophobicContact CD1-SD 3.57Å; I344-M368 VanDerWaalsContact CD1-SD 3.57Å; I344-M368 HydrophobicContact CG1-SD 4.5Å; I344-R377 HydrophobicContact CG2-CB 3.75Å; I344-R377 HydrophobicContact CG2-CG 4.4Å; I344-V379 HydrophobicContact CB-CG2 4.38Å; I344-V379 HydrophobicContact CG1-CG1 4.16Å; I344-V379 HydrophobicContact CG1-CG2 3.91Å; I344-V379 HydrophobicContact CG2-CG2 4.27Å
345	L	96	Very high	95.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-90.8	153.6	174.9	-62.8	-179.5	0	0	0	110.8	V208 I343 I352 R377 T378 I380 V397 Y399	V208-L345 HydrophobicContact CG2-CD2 4.43Å; I343-L345 HydrophobicContact CG2-CD2 4.07Å; L345-I352 HydrophobicContact CD1-CD1 3.84Å; L345-I352 HydrophobicContact CD1-CG1 3.9Å; L345-I352 HydrophobicContact CD1-CG2 3.92Å; L345-R377 VanDerWaalsContact O-CB 3.27Å; L345-R377 WeakPolarHBondContact O-CB 3.35Å; L345-R377 WeakPolarHBondContact O-CG 3.45Å; L345-T378 PolarHBondContact N-O 3.12Å; L345-I380 HydrophobicContact CD1-CD1 4.07Å; L345-I380 HydrophobicContact CD1-CG1 4.45Å; L345-V397 HydrophobicContact CD1-CG1 4.21Å; L345-V397 HydrophobicContact CD2-CG1 4.46Å; L345-Y399 HydrophobicContact CD1-CD1 4.23Å; L345-Y399 HydrophobicContact CD1-CG 4.11Å; L345-Y399 HydrophobicContact CD2-CD1 3.99Å; L345-Y399 HydrophobicContact CD2-CE1 3.83Å; L345-Y399 HydrophobicContact CD2-CG 4.47Å
346	P	93.8	Very high	95	Very high	8 Å²	8	39.2 Å²	39.2	5%	0.052	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-54.4	151.5	174.7	-27.8	37.7	0	0	0	112.9	V208 H210 S349 F401	V208-P346 WeakPolarHBondContact O-CG 3.31Å; H210-P346 VanDerWaalsContact CD2-CG 3.41Å; H210-P346 WeakPolarHBondContact CD2-CG 3.12Å; P346-S349 WeakPolarHBondContact O-CB 3.39Å; P346-S349 PolarHBondContact O-N 3.22Å; P346-S349 PolarHBondContact O-OG 2.98Å; P346-F401 HydrophobicContact CB-CD2 4.32Å; P346-F401 HydrophobicContact CB-CE2 4.13Å
347	E	92	Very high	94.8	Very high	12 Å²	12	41.2 Å²	41.2	6%	0.056	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	146.6	174.6	-165.4	-179.6	-131.8	0	0	109.8	S349 T374 S375 G376 R377 F401 R408	E347-S349 VanDerWaalsContact C-N 3.29Å; E347-S349 PolarHBondContact O-N 2.9Å; E347-T374 PolarHBondContact OE1-N 3.3Å; E347-T374 PolarHBondContact OE1-OG1 2.75Å; E347-T374 PolarHBondContact OE2-OG1 2.9Å; E347-S375 PolarHBondContact OE1-N 2.91Å; E347-S375 PolarHBondContact OE1-OG 2.9Å; E347-G376 PolarHBondContact OE1-N 2.9Å; E347-R377 HydrophobicContact CB-CG 4.39Å; E347-F401 WeakPolarHBondContact O-CE2 3.49Å; E347-R408 VanDerWaalsContact CD-NH1 3.26Å; E347-R408 IonicContact OE1-NH1 2.83Å; E347-R408 IonicContact OE2-CZ 3.77Å; E347-R408 IonicContact OE2-NE 3.51Å; E347-R408 IonicContact OE2-NH1 2.77Å; E347-R408 PolarHBondContact OE2-NH1 3.48Å
348	T	90.6	Very high	94.6	Very high	46 Å²	46	38.5 Å²	38.5	28%	0.282	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	17.9	-177.9	73.6	0	0	0	0	116.1	D350	T348-D350 PolarHBondContact O-N 3.45Å
349	S	92.9	Very high	94.2	Very high	7 Å²	7	41.2 Å²	41.2	5%	0.049	22%	0.222	C	C	.	.			trans	-72.5	122.4	168.8	-59.3	0	0	0	0	111.2	P346 E347 R400	P346-S349 WeakPolarHBondContact O-CB 3.39Å; P346-S349 PolarHBondContact O-N 3.22Å; P346-S349 PolarHBondContact O-OG 2.98Å; E347-S349 VanDerWaalsContact C-N 3.29Å; E347-S349 PolarHBondContact O-N 2.9Å; S349-R400 WeakPolarHBondContact CA-O 3.22Å
350	D	92	Very high	93.8	Very high	75 Å²	75	42.7 Å²	42.7	40%	0.401	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	172	179.5	-65.3	-31.1	0	0	0	111.5	T348 I352 R400	T348-D350 PolarHBondContact O-N 3.45Å; D350-I352 VanDerWaalsContact C-N 3.33Å; D350-I352 PolarHBondContact O-N 3.1Å; D350-R400 HydrophobicContact CB-CB 4.47Å; D350-R400 PolarHBondContact N-O 3.33Å; D350-R400 PolarHBondContact O-N 2.82Å; D350-R400 IonicContact OD2-CZ 3.33Å; D350-R400 IonicContact OD2-NE 3.54Å; D350-R400 IonicContact OD2-NH2 3.83Å; D350-R400 PolarHBondContact OD2-NH2 3.19Å
351	D	92.8	Very high	93.4	Very high	99 Å²	99	48.1 Å²	48.1	53%	0.529	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.1	46.5	171.3	-60.9	-29.7	0	0	0	113.8	H353 R400	D351-H353 PolarHBondContact O-N 2.86Å; D351-R400 HydrophobicContact CB-CB 4.34Å; D351-R400 IonicContact OD2-CZ 3.85Å; D351-R400 IonicContact OD2-NE 3.17Å; D351-R400 IonicContact OD2-NH1 2.67Å
352	I	94.8	Very high	93	Very high	31 Å²	31	52.1 Å²	52.1	16%	0.159	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	118	-173.3	-56.3	163.2	0	0	0	110.8	L345 D350 F365 T378 I380 V397 N398	L345-I352 HydrophobicContact CD1-CD1 3.84Å; L345-I352 HydrophobicContact CD1-CG1 3.9Å; L345-I352 HydrophobicContact CD1-CG2 3.92Å; D350-I352 VanDerWaalsContact C-N 3.33Å; D350-I352 PolarHBondContact O-N 3.1Å; I352-F365 HydrophobicContact CB-CE1 4.31Å; I352-F365 HydrophobicContact CB-CZ 4.48Å; I352-F365 HydrophobicContact CD1-CE1 4.5Å; I352-F365 HydrophobicContact CG2-CE1 3.9Å; I352-F365 HydrophobicContact CG2-CZ 4.3Å; I352-T378 HydrophobicContact CD1-CG2 3.6Å; I352-I380 HydrophobicContact CG2-CD1 3.45Å; I352-I380 VanDerWaalsContact CG2-CD1 3.45Å; I352-I380 HydrophobicContact CG2-CG1 4.23Å; I352-V397 HydrophobicContact CG2-CG1 4.16Å; I352-N398 CarbonylContact C-O 3.51Å; I352-N398 WeakPolarHBondContact CA-O 3.44Å
353	H	94.9	Very high	92.7	Very high	126 Å²	126	54 Å²	54	58%	0.583	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	121.6	175.4	-69.7	-63.8	0	0	0	110.8	D351 V397 N398	D351-H353 PolarHBondContact O-N 2.86Å; H353-V397 CarbonylContact O-C 3.53Å; H353-V397 WeakPolarHBondContact O-CA 3.45Å; H353-N398 PolarHBondContact N-O 2.81Å; H353-N398 PolarHBondContact O-N 2.8Å
354	I	94.2	Very high	92.6	Very high	26 Å²	26	56.5 Å²	56.5	13%	0.133	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.5	176.9	-176.9	165.4	0	0	0	110.8	I343 T356 I380 C382 K396 V397	I343-I354 HydrophobicContact CD1-CD1 4.06Å; I354-T356 HydrophobicContact CD1-CG2 4.27Å; I354-T356 HydrophobicContact CG1-CG2 4.14Å; I354-I380 HydrophobicContact CD1-CG2 3.93Å; I354-I380 HydrophobicContact CG2-CG2 4.43Å; I354-C382 VanDerWaalsContact CD1-SG 3.57Å; I354-K396 CarbonylContact C-O 3.57Å; I354-K396 WeakPolarHBondContact CA-O 3.48Å; I354-V397 HydrophobicContact CB-CG2 4.07Å; I354-V397 HydrophobicContact CD1-CG2 3.9Å; I354-V397 HydrophobicContact CG1-CG2 3.81Å
355	E	94.8	Very high	92.5	Very high	106 Å²	106	61.4 Å²	61.4	50%	0.495	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	111.4	172.6	-65.2	169.6	-157.8	0	0	107.6	F395 K396	E355-F395 WeakPolarHBondContact O-CA 3.46Å; E355-K396 HydrophobicContact CB-CB 4.28Å; E355-K396 PolarHBondContact N-O 3.47Å; E355-K396 PolarHBondContact O-N 3.28Å
356	T	93.8	Very high	92.4	Very high	43 Å²	43	65 Å²	65	26%	0.264	33%	0.332	S	S	.	.			trans	-92.4	143.4	176.9	62.6	0	0	0	0	110.8	F326 I354 F358 V360	F326-T356 HydrophobicContact CE2-CG2 4.48Å; I354-T356 HydrophobicContact CD1-CG2 4.27Å; I354-T356 HydrophobicContact CG1-CG2 4.14Å; T356-F358 VanDerWaalsContact C-N 3.27Å; T356-F358 WeakPolarHBondContact CB-O 3.37Å; T356-F358 PolarHBondContact O-N 2.94Å; T356-F358 PolarHBondContact OG1-O 2.73Å; T356-V360 HydrophobicContact CG2-CG1 4.03Å; T356-V360 HydrophobicContact CG2-CG2 4.28Å
357	P	92	Very high	92.4	Very high	42 Å²	42	69.6 Å²	69.6	27%	0.273	36%	0.356	S	S	.	.	S	Bend	trans	-70.5	-23.3	-178	24.7	-32	0	0	0	113.5	F326 Q393	F326-P357 HydrophobicContact CB-CG 4.33Å; P357-Q393 HydrophobicContact CB-CB 3.61Å; P357-Q393 HydrophobicContact CG-CB 3.83Å
358	F	90.8	Very high	92.4	Very high	30 Å²	30	73 Å²	73	13%	0.132	37%	0.373	C	S	.	.	S	Bend	trans	-142.4	164.9	177.1	49	-98.6	0	0	0	110.5	F326 T356 V360 A384 L387 H391	F326-F358 HydrophobicContact CB-CZ 4.38Å; F326-F358 HydrophobicContact CD1-CE1 4.41Å; F326-F358 HydrophobicContact CD1-CE2 4.14Å; F326-F358 AromaticContact CD1-CZ 3.51Å; F326-F358 HydrophobicContact CD1-CZ 3.51Å; F326-F358 HydrophobicContact CE1-CE2 4.05Å; F326-F358 AromaticContact CE1-CZ 3.89Å; F326-F358 HydrophobicContact CE1-CZ 3.89Å; F326-F358 AromaticContact CG-CZ 3.96Å; F326-F358 HydrophobicContact CG-CZ 3.96Å; T356-F358 VanDerWaalsContact C-N 3.27Å; T356-F358 WeakPolarHBondContact CB-O 3.37Å; T356-F358 PolarHBondContact O-N 2.94Å; T356-F358 PolarHBondContact OG1-O 2.73Å; F358-V360 PolarHBondContact O-N 3.11Å; F358-A384 HydrophobicContact CE2-CB 4.11Å; F358-L387 HydrophobicContact CE2-CD2 3.8Å; F358-L387 HydrophobicContact CZ-CD2 3.82Å; F358-H391 AromaticContact CD1-CD2 3.79Å; F358-H391 HydrophobicContact CE1-CB 3.86Å; F358-H391 AromaticContact CE1-CD2 3.81Å; F358-H391 WeakPolarHBondContact CE1-O 3.32Å; F358-H391 HydrophobicContact CZ-CB 4.16Å
359	P	88	Confident	92.5	Very high	123 Å²	123	77.9 Å²	77.9	80%	0.799	39%	0.39	S	S	*	.			trans	-61.5	127.3	178.6	-22.6	34.2	0	0	0	112.3
360	V	89.8	Confident	92.4	Very high	32 Å²	32	79.8 Å²	79.8	19%	0.194	40%	0.402	C	S	.	.			trans	-101.5	152.1	174.2	-64.6	0	0	0	0	110.5	F326 T356 F358	F326-V360 HydrophobicContact CE2-CG1 3.95Å; F326-V360 HydrophobicContact CZ-CG1 3.78Å; T356-V360 HydrophobicContact CG2-CG1 4.03Å; T356-V360 HydrophobicContact CG2-CG2 4.28Å; F358-V360 PolarHBondContact O-N 3.11Å
361	H	88	Confident	92.4	Very high	145 Å²	145	86 Å²	86	67%	0.671	42%	0.421	S	S	*	.	S	Bend	trans	-77.6	-34.8	-175.6	-61.7	-56.6	0	0	0	113.2	K383 A385	H361-K383 PolarHBondContact N-O 3.15Å; H361-A385 PolarHBondContact CD2-N 2.7Å; H361-A385 WeakPolarHBondContact NE2-CB 3.31Å; H361-A385 PolarHBondContact NE2-N 3.4Å
362	E	90.1	Very high	92.3	Very high	84 Å²	84	84.6 Å²	84.6	39%	0.393	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	135.5	-173.8	-168.2	-178.2	150.1	0	0	108.5	H364 C382 K383	E362-H364 IonicContact OE1-CE1 3.86Å; E362-H364 PolarHBondContact OE1-CE1 2.71Å; E362-H364 IonicContact OE1-ND1 3.96Å; E362-H364 PolarHBondContact OE1-ND1 2.86Å; E362-C382 WeakPolarHBondContact O-CA 3.3Å; E362-K383 HydrophobicContact CB-CB 4.14Å; E362-K383 HydrophobicContact CB-CD 4.37Å; E362-K383 HydrophobicContact CB-CG 4.39Å; E362-K383 PolarHBondContact O-N 3.33Å; E362-K383 IonicContact OE1-NZ 2.88Å; E362-K383 PolarHBondContact OE1-NZ 2.85Å; E362-K383 WeakPolarHBondContact OE2-CD 3.13Å; E362-K383 WeakPolarHBondContact OE2-CE 3.36Å; E362-K383 IonicContact OE2-NZ 2.73Å; E362-K383 PolarHBondContact OE2-NZ 2.86Å
363	Q	91.3	Very high	92.1	Very high	97 Å²	97	84.4 Å²	84.4	45%	0.453	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	122.3	173.6	-177.8	-173.7	-34.4	0	0	108.9	V381	Q363-V381 WeakPolarHBondContact CA-O 3.47Å
364	H	94.5	Very high	91.8	Very high	51 Å²	51	81.1 Å²	81.1	24%	0.236	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	165.6	175.8	63.6	-81.3	0	0	0	111	E362 E366 V381	E362-H364 IonicContact OE1-CE1 3.86Å; E362-H364 PolarHBondContact OE1-CE1 2.71Å; E362-H364 IonicContact OE1-ND1 3.96Å; E362-H364 PolarHBondContact OE1-ND1 2.86Å; H364-E366 IonicContact CD2-OE1 3.36Å; H364-E366 IonicContact CE1-OE1 3.75Å; H364-E366 IonicContact NE2-OE1 3.47Å; H364-E366 PolarHBondContact NE2-OE1 2.99Å; H364-V381 PolarHBondContact N-O 3.4Å; H364-V381 VanDerWaalsContact N-O 3.14Å; H364-V381 PolarHBondContact O-N 2.86Å
365	F	94.8	Very high	91.5	Very high	106 Å²	106	82.9 Å²	82.9	47%	0.465	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	135.5	174.4	-62.6	-77.3	0	0	0	110	I352 T378 V379 I380	I352-F365 HydrophobicContact CB-CE1 4.31Å; I352-F365 HydrophobicContact CB-CZ 4.48Å; I352-F365 HydrophobicContact CD1-CE1 4.5Å; I352-F365 HydrophobicContact CG2-CE1 3.9Å; I352-F365 HydrophobicContact CG2-CZ 4.3Å; F365-T378 HydrophobicContact CD1-CG2 3.83Å; F365-T378 HydrophobicContact CG-CG2 4.49Å; F365-V379 CarbonylContact C-O 3.56Å; F365-V379 WeakPolarHBondContact CA-O 3.45Å; F365-I380 HydrophobicContact CD1-CG1 4.11Å; F365-I380 HydrophobicContact CE1-CB 4.42Å; F365-I380 HydrophobicContact CE1-CD1 4.31Å; F365-I380 HydrophobicContact CE1-CG1 3.84Å; F365-I380 HydrophobicContact CE1-CG2 4.22Å
366	E	95.4	Very high	91.4	Very high	76 Å²	76	78.1 Å²	78.1	36%	0.355	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	165.1	169.8	-67.1	176.2	-176.4	0	0	109.1	K342 H364 V379 V381	K342-E366 IonicContact NZ-OE1 3.79Å; K342-E366 IonicContact NZ-OE2 3.53Å; K342-E366 PolarHBondContact NZ-OE2 2.89Å; H364-E366 IonicContact CD2-OE1 3.36Å; H364-E366 IonicContact CE1-OE1 3.75Å; H364-E366 IonicContact NE2-OE1 3.47Å; H364-E366 PolarHBondContact NE2-OE1 2.99Å; E366-V379 HydrophobicContact CB-CB 4.2Å; E366-V379 PolarHBondContact N-O 2.87Å; E366-V379 PolarHBondContact O-N 2.99Å; E366-V381 HydrophobicContact CB-CG2 4.34Å; E366-V381 HydrophobicContact CG-CG2 3.88Å
367	N	93.6	Very high	91.4	Very high	104 Å²	104	76.8 Å²	76.8	56%	0.556	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	125.6	172.1	-176.1	2.7	0	0	0	108.9	S375 G376 R377	N367-S375 PolarHBondContact ND2-O 2.81Å; N367-G376 VanDerWaalsContact OD1-CA 3.24Å; N367-G376 WeakPolarHBondContact OD1-CA 3.44Å; N367-R377 WeakPolarHBondContact CA-O 3.16Å; N367-R377 PolarHBondContact OD1-N 2.72Å; N367-R377 PolarHBondContact OD1-O 3.05Å
368	M	92.4	Very high	91.5	Very high	84 Å²	84	76.7 Å²	76.7	41%	0.414	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	135	180	-178.6	169.2	171.6	0	0	110.1	I344 R377 V379	I344-M368 HydrophobicContact CD1-CE 4.26Å; I344-M368 HydrophobicContact CD1-SD 3.57Å; I344-M368 VanDerWaalsContact CD1-SD 3.57Å; I344-M368 HydrophobicContact CG1-SD 4.5Å; M368-R377 PolarHBondContact N-O 2.94Å; M368-R377 PolarHBondContact O-N 2.57Å; M368-V379 HydrophobicContact CB-CG2 3.49Å; M368-V379 VanDerWaalsContact CB-CG2 3.49Å
369	K	92.3	Very high	91.8	Very high	148 Å²	148	75.4 Å²	75.4	64%	0.643	38%	0.379	S	S	*	.			trans	-104.3	119.7	175.5	-64.2	-175.3	178.3	-170.2	0	109.6
370	T	90.8	Very high	92.2	Very high	48 Å²	48	69.6 Å²	69.6	29%	0.294	34%	0.341	S	S	.	.			trans	-109.5	-168.5	169.7	-171.1	0	0	0	0	110.2	D373 R377	T370-D373 WeakPolarHBondContact CG2-OD2 3.36Å; T370-D373 PolarHBondContact N-OD2 2.84Å; T370-R377 VanDerWaalsContact CG2-NE 3.35Å
371	Y	90.7	Very high	92.6	Very high	205 Å²	205	68.1 Å²	68.1	80%	0.804	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	140.4	175.4	-61.5	-80.5	0	0	0	111	D373	Y371-D373 PolarHBondContact O-N 2.89Å
372	L	91.1	Very high	93	Very high	70 Å²	70	61.2 Å²	61.2	37%	0.366	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	27.4	179.2	-53	176.4	0	0	0	114.5	E409 M412 L413	L372-E409 HydrophobicContact CB-CB 4.34Å; L372-E409 HydrophobicContact CB-CG 4.21Å; L372-E409 HydrophobicContact CD1-CB 4.26Å; L372-M412 HydrophobicContact CB-CE 4.29Å; L372-M412 WeakPolarHBondContact O-CE 3.25Å; L372-L413 HydrophobicContact CD1-CD1 4.38Å; L372-L413 HydrophobicContact CD2-CD1 4.22Å; L372-L413 HydrophobicContact CD2-CD2 3.81Å; L372-L413 HydrophobicContact CD2-CG 3.87Å
373	D	90.3	Very high	93.3	Very high	26 Å²	26	60.6 Å²	60.6	14%	0.139	30%	0.296	C	S	.	.			trans	-100.2	146.8	171	-70.5	-17.9	0	0	0	111.8	T370 Y371 R377	T370-D373 WeakPolarHBondContact CG2-OD2 3.36Å; T370-D373 PolarHBondContact N-OD2 2.84Å; Y371-D373 PolarHBondContact O-N 2.89Å; D373-R377 IonicContact OD1-CZ 3.88Å; D373-R377 IonicContact OD1-NE 2.92Å; D373-R377 PolarHBondContact OD1-NE 2.88Å; D373-R377 IonicContact OD1-NH2 3.71Å; D373-R377 WeakPolarHBondContact OD2-CG 3.49Å; D373-R377 IonicContact OD2-NE 3.59Å
374	T	88.4	Confident	93.5	Very high	57 Å²	57	56.2 Å²	56.2	35%	0.35	28%	0.277	S	S	.	.	S	Bend	trans	-111.3	-56.4	176.5	55.8	0	0	0	0	112.5	E347 R408 M412	E347-T374 PolarHBondContact OE1-N 3.3Å; E347-T374 PolarHBondContact OE1-OG1 2.75Å; E347-T374 PolarHBondContact OE2-OG1 2.9Å; T374-R408 PolarHBondContact OG1-NH1 2.98Å; T374-R408 VanDerWaalsContact OG1-NH1 3.11Å; T374-R408 PolarHBondContact OG1-NH2 3.43Å; T374-M412 HydrophobicContact CG2-CE 4.15Å; T374-M412 HydrophobicContact CG2-SD 3.16Å; T374-M412 WeakPolarHBondContact CG2-SD 3.41Å
375	S	88.8	Confident	93.5	Very high	64 Å²	64	55.5 Å²	55.5	45%	0.448	28%	0.28	S	S	.	.	S	Bend	trans	-85.5	-26.8	173.2	43.3	0	0	0	0	111.3	E347 N367	E347-S375 PolarHBondContact OE1-N 2.91Å; E347-S375 PolarHBondContact OE1-OG 2.9Å; N367-S375 PolarHBondContact ND2-O 2.81Å
376	G	92	Very high	93.5	Very high	6 Å²	6	52 Å²	52	6%	0.062	27%	0.266	C	S	.	.			trans	96.8	162.2	-173.2	0	0	0	0	0	112.3	E347 N367	E347-G376 PolarHBondContact OE1-N 2.9Å; N367-G376 VanDerWaalsContact OD1-CA 3.24Å; N367-G376 WeakPolarHBondContact OD1-CA 3.44Å
377	R	94.3	Very high	93.5	Very high	14 Å²	14	48.4 Å²	48.4	5%	0.053	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	139.1	-177.4	-71.5	-179.4	-173	-150.9	-10.9	111	E207 I344 L345 E347 N367 M368 T370 D373 V379 E409	E207-R377 IonicContact OE1-CZ 3.58Å; E207-R377 IonicContact OE1-NH1 3.68Å; E207-R377 PolarHBondContact OE1-NH1 2.81Å; I344-R377 HydrophobicContact CG2-CB 3.75Å; I344-R377 HydrophobicContact CG2-CG 4.4Å; L345-R377 VanDerWaalsContact O-CB 3.27Å; L345-R377 WeakPolarHBondContact O-CB 3.35Å; L345-R377 WeakPolarHBondContact O-CG 3.45Å; E347-R377 HydrophobicContact CB-CG 4.39Å; N367-R377 WeakPolarHBondContact CA-O 3.16Å; N367-R377 PolarHBondContact OD1-N 2.72Å; N367-R377 PolarHBondContact OD1-O 3.05Å; M368-R377 PolarHBondContact N-O 2.94Å; M368-R377 PolarHBondContact O-N 2.57Å; T370-R377 VanDerWaalsContact CG2-NE 3.35Å; D373-R377 IonicContact OD1-CZ 3.88Å; D373-R377 IonicContact OD1-NE 2.92Å; D373-R377 PolarHBondContact OD1-NE 2.88Å; D373-R377 IonicContact OD1-NH2 3.71Å; D373-R377 WeakPolarHBondContact OD2-CG 3.49Å; D373-R377 IonicContact OD2-NE 3.59Å; R377-V379 PolarHBondContact O-N 3.02Å; R377-E409 IonicContact NH2-OE1 2.69Å; R377-E409 PolarHBondContact NH2-OE1 3.37Å; R377-E409 VanDerWaalsContact NH2-OE1 3.17Å
378	T	95	Very high	93.6	Very high	41 Å²	41	43.5 Å²	43.5	25%	0.252	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	124.8	175.4	-55.4	0	0	0	0	109.6	L345 I352 F365	L345-T378 PolarHBondContact N-O 3.12Å; I352-T378 HydrophobicContact CD1-CG2 3.6Å; F365-T378 HydrophobicContact CD1-CG2 3.83Å; F365-T378 HydrophobicContact CG-CG2 4.49Å
379	V	96.7	Very high	93.6	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.018	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120.6	177.9	-173.8	0	0	0	0	109.4	K342 I343 I344 F365 E366 M368 R377 V381	K342-V379 HydrophobicContact CB-CG1 3.96Å; K342-V379 HydrophobicContact CD-CG1 4.41Å; K342-V379 HydrophobicContact CG-CG1 4.49Å; I343-V379 CarbonylContact O-C 3.56Å; I343-V379 VanDerWaalsContact O-CA 3.3Å; I343-V379 WeakPolarHBondContact O-CA 3.47Å; I344-V379 HydrophobicContact CB-CG2 4.38Å; I344-V379 HydrophobicContact CG1-CG1 4.16Å; I344-V379 HydrophobicContact CG1-CG2 3.91Å; I344-V379 HydrophobicContact CG2-CG2 4.27Å; F365-V379 CarbonylContact C-O 3.56Å; F365-V379 WeakPolarHBondContact CA-O 3.45Å; E366-V379 HydrophobicContact CB-CB 4.2Å; E366-V379 PolarHBondContact N-O 2.87Å; E366-V379 PolarHBondContact O-N 2.99Å; M368-V379 HydrophobicContact CB-CG2 3.49Å; M368-V379 VanDerWaalsContact CB-CG2 3.49Å; R377-V379 PolarHBondContact O-N 3.02Å; V379-V381 HydrophobicContact CG1-CG2 4.1Å
380	I	96.6	Very high	93.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	122.1	172	-42.1	-177.1	0	0	0	107.7	K342 I343 L345 I352 I354 F365 V397	K342-I380 CarbonylContact C-O 3.48Å; K342-I380 WeakPolarHBondContact CA-O 3.27Å; I343-I380 HydrophobicContact CB-CB 4.22Å; I343-I380 HydrophobicContact CB-CG1 4.47Å; I343-I380 PolarHBondContact N-O 2.83Å; I343-I380 PolarHBondContact O-N 3.41Å; L345-I380 HydrophobicContact CD1-CD1 4.07Å; L345-I380 HydrophobicContact CD1-CG1 4.45Å; I352-I380 HydrophobicContact CG2-CD1 3.45Å; I352-I380 VanDerWaalsContact CG2-CD1 3.45Å; I352-I380 HydrophobicContact CG2-CG1 4.23Å; I354-I380 HydrophobicContact CD1-CG2 3.93Å; I354-I380 HydrophobicContact CG2-CG2 4.43Å; F365-I380 HydrophobicContact CD1-CG1 4.11Å; F365-I380 HydrophobicContact CE1-CB 4.42Å; F365-I380 HydrophobicContact CE1-CD1 4.31Å; F365-I380 HydrophobicContact CE1-CG1 3.84Å; F365-I380 HydrophobicContact CE1-CG2 4.22Å; I380-V397 HydrophobicContact CD1-CG1 3.62Å; I380-V397 HydrophobicContact CD1-CG2 3.99Å
381	V	97.2	Very high	93.8	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	122.3	177.2	-175.4	0	0	0	0	109.3	T340 L341 K342 Q363 H364 E366 V379	T340-V381 HydrophobicContact CG2-CG1 3.8Å; L341-V381 CarbonylContact O-C 3.55Å; L341-V381 WeakPolarHBondContact O-CA 3.16Å; K342-V381 HydrophobicContact CD-CG2 4.33Å; K342-V381 HydrophobicContact CG-CG1 4.47Å; K342-V381 HydrophobicContact CG-CG2 4.14Å; Q363-V381 WeakPolarHBondContact CA-O 3.47Å; H364-V381 PolarHBondContact N-O 3.4Å; H364-V381 VanDerWaalsContact N-O 3.14Å; H364-V381 PolarHBondContact O-N 2.86Å; E366-V381 HydrophobicContact CB-CG2 4.34Å; E366-V381 HydrophobicContact CG-CG2 3.88Å; V379-V381 HydrophobicContact CG1-CG2 4.1Å
382	C	96.9	Very high	94	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127	174.3	-62.4	0	0	0	0	109.6	F326 L341 I354 E362	F326-C382 HydrophobicContact CE2-CB 3.95Å; F326-C382 HydrophobicContact CZ-CB 4.07Å; L341-C382 HydrophobicContact CB-CB 4.32Å; L341-C382 PolarHBondContact N-O 2.97Å; L341-C382 PolarHBondContact O-N 2.94Å; I354-C382 VanDerWaalsContact CD1-SG 3.57Å; E362-C382 WeakPolarHBondContact O-CA 3.3Å
383	K	96.6	Very high	94.2	Very high	71 Å²	71	28.8 Å²	28.8	31%	0.309	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131.5	175.2	-59.3	-174.8	-166.4	151.5	0	111.2	L339 T340 H361 E362	L339-K383 WeakPolarHBondContact O-CA 3.36Å; T340-K383 HydrophobicContact CG2-CG 4.27Å; H361-K383 PolarHBondContact N-O 3.15Å; E362-K383 HydrophobicContact CB-CB 4.14Å; E362-K383 HydrophobicContact CB-CD 4.37Å; E362-K383 HydrophobicContact CB-CG 4.39Å; E362-K383 PolarHBondContact O-N 3.33Å; E362-K383 IonicContact OE1-NZ 2.88Å; E362-K383 PolarHBondContact OE1-NZ 2.85Å; E362-K383 WeakPolarHBondContact OE2-CD 3.13Å; E362-K383 WeakPolarHBondContact OE2-CE 3.36Å; E362-K383 IonicContact OE2-NZ 2.73Å; E362-K383 PolarHBondContact OE2-NZ 2.86Å
384	A	95.8	Very high	94.4	Very high	6 Å²	6	32 Å²	32	5%	0.05	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.5	173.5	0	0	0	0	0	109.9	F326 L339 F358 L387	F326-A384 HydrophobicContact CE1-CB 3.77Å; F326-A384 HydrophobicContact CZ-CB 4.07Å; L339-A384 PolarHBondContact N-O 2.85Å; L339-A384 PolarHBondContact O-N 3.49Å; F358-A384 HydrophobicContact CE2-CB 4.11Å; A384-L387 HydrophobicContact CB-CD1 4.13Å; A384-L387 HydrophobicContact CB-CD2 4.1Å; A384-L387 HydrophobicContact CB-CG 4.38Å
385	A	94.9	Very high	94.8	Very high	35 Å²	35	29.4 Å²	29.4	29%	0.289	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	162.4	178.2	0	0	0	0	0	110.9	R337 H361	R337-A385 CarbonylContact O-C 3.54Å; R337-A385 WeakPolarHBondContact O-CA 3.14Å; R337-A385 VanDerWaalsContact O-CB 3.29Å; R337-A385 WeakPolarHBondContact O-CB 3.31Å; H361-A385 PolarHBondContact CD2-N 2.7Å; H361-A385 WeakPolarHBondContact NE2-CB 3.31Å; H361-A385 PolarHBondContact NE2-N 3.4Å
386	N	94.4	Very high	95.2	Very high	32 Å²	32	30 Å²	30	17%	0.171	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.8	49.8	176.3	-156.5	20.4	0	0	0	114.2	L58 A59 T107 F335 I336 R337	L58-N386 PolarHBondContact O-ND2 3.38Å; A59-N386 VanDerWaalsContact CA-ND2 3.33Å; A59-N386 WeakPolarHBondContact CA-ND2 3.37Å; A59-N386 VanDerWaalsContact CB-O 3.24Å; A59-N386 WeakPolarHBondContact CB-O 3.3Å; A59-N386 PolarHBondContact N-ND2 3Å; T107-N386 WeakPolarHBondContact CB-OD1 3.47Å; T107-N386 VanDerWaalsContact CG2-OD1 3.3Å; T107-N386 WeakPolarHBondContact CG2-OD1 3.45Å; T107-N386 PolarHBondContact OG1-ND2 2.85Å; T107-N386 PolarHBondContact OG1-OD1 3.26Å; F335-N386 WeakPolarHBondContact CE2-OD1 3.46Å; I336-N386 CarbonylContact O-C 3.54Å; I336-N386 PolarHBondContact O-N 3.05Å; R337-N386 PolarHBondContact O-N 3.27Å
387	L	95.2	Very high	95.5	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	148.4	-178	-56	176.6	0	0	0	112	F326 I336 L339 F358 A384 H391	F326-L387 HydrophobicContact CE1-CD1 4.41Å; I336-L387 HydrophobicContact CB-CB 4.23Å; I336-L387 PolarHBondContact N-O 3.44Å; I336-L387 PolarHBondContact O-N 3.05Å; L339-L387 HydrophobicContact CB-CD1 3.57Å; L339-L387 HydrophobicContact CD1-CD1 3.83Å; L339-L387 HydrophobicContact CD2-CD1 4.43Å; L339-L387 HydrophobicContact CG-CD1 4.15Å; F358-L387 HydrophobicContact CE2-CD2 3.8Å; F358-L387 HydrophobicContact CZ-CD2 3.82Å; A384-L387 HydrophobicContact CB-CD1 4.13Å; A384-L387 HydrophobicContact CB-CD2 4.1Å; A384-L387 HydrophobicContact CB-CG 4.38Å; L387-H391 HydrophobicContact CB-CB 4.44Å; L387-H391 HydrophobicContact CD2-CB 4Å
388	V	95.2	Very high	95.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	173.7	-178.9	-66.3	0	0	0	0	109.8	I30 A59 F60 V105 T107 Q334 E390 H391	I30-V388 HydrophobicContact CG2-CG1 4.35Å; A59-V388 HydrophobicContact CB-CG1 3.7Å; A59-V388 HydrophobicContact CB-CG2 4.1Å; F60-V388 HydrophobicContact CB-CG2 4.02Å; V105-V388 HydrophobicContact CB-CG2 4.3Å; V105-V388 HydrophobicContact CG1-CB 4.3Å; V105-V388 HydrophobicContact CG1-CG1 3.92Å; V105-V388 HydrophobicContact CG1-CG2 4.14Å; T107-V388 HydrophobicContact CG2-CG1 3.89Å; Q334-V388 WeakPolarHBondContact O-CA 3.44Å; V388-E390 HydrophobicContact CG2-CB 4.2Å; V388-E390 WeakPolarHBondContact CG2-OE2 3.34Å; V388-E390 PolarHBondContact O-N 3.03Å; V388-H391 WeakPolarHBondContact CG2-ND1 3.49Å; V388-H391 PolarHBondContact N-ND1 2.99Å; V388-H391 WeakPolarHBondContact O-CB 3.34Å; V388-H391 PolarHBondContact O-N 3.44Å
389	D	93.6	Very high	95.7	Very high	35 Å²	35	29.3 Å²	29.3	19%	0.187	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-48.1	-36.8	179.4	-66.6	-4.3	0	0	0	113.4	N333 Q334 H391 I392	N333-D389 WeakPolarHBondContact CA-OD2 3.25Å; N333-D389 PolarHBondContact N-OD2 3.12Å; Q334-D389 VanDerWaalsContact CG-OD1 3.29Å; Q334-D389 WeakPolarHBondContact CG-OD1 3.39Å; Q334-D389 PolarHBondContact N-OD1 3.19Å; D389-H391 PolarHBondContact O-N 3.27Å; D389-H391 VanDerWaalsContact O-N 3.16Å; D389-I392 WeakPolarHBondContact O-CB 3.4Å; D389-I392 WeakPolarHBondContact O-CD1 3.41Å; D389-I392 VanDerWaalsContact O-CG1 3.24Å; D389-I392 WeakPolarHBondContact O-CG1 3.21Å; D389-I392 PolarHBondContact O-N 2.73Å; D389-I392 VanDerWaalsContact O-N 3.11Å
390	E	92.4	Very high	95.7	Very high	59 Å²	59	33.4 Å²	33.4	28%	0.276	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-64.7	-14.6	178.9	-71.4	75.7	-173.7	0	0	114.5	K32 F60 V105 V388 Q393	K32-E390 WeakPolarHBondContact CE-OE1 3.49Å; K32-E390 IonicContact NZ-OE1 2.72Å; K32-E390 PolarHBondContact NZ-OE1 3.12Å; K32-E390 IonicContact NZ-OE2 2.87Å; K32-E390 PolarHBondContact NZ-OE2 3.14Å; F60-E390 HydrophobicContact CB-CB 4.33Å; F60-E390 HydrophobicContact CD1-CB 3.83Å; F60-E390 HydrophobicContact CD1-CG 3.91Å; F60-E390 HydrophobicContact CD2-CB 3.89Å; F60-E390 HydrophobicContact CE1-CB 4.06Å; F60-E390 HydrophobicContact CE1-CG 4.07Å; F60-E390 HydrophobicContact CE2-CB 4.12Å; F60-E390 HydrophobicContact CG-CB 3.74Å; F60-E390 HydrophobicContact CG-CG 4.31Å; F60-E390 HydrophobicContact CZ-CB 4.2Å; V105-E390 HydrophobicContact CG2-CG 4.47Å; V388-E390 HydrophobicContact CG2-CB 4.2Å; V388-E390 WeakPolarHBondContact CG2-OE2 3.34Å; V388-E390 PolarHBondContact O-N 3.03Å; E390-Q393 PolarHBondContact O-NE2 3.03Å; E390-Q393 VanDerWaalsContact O-NE2 3.09Å
391	H	94.4	Very high	95.6	Very high	18 Å²	18	33.8 Å²	33.8	8%	0.083	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-90.3	2	175.6	-66.1	93.6	0	0	0	113.6	A59 V327 F358 L387 V388 D389 Q393	A59-H391 PolarHBondContact O-CE1 3.49Å; A59-H391 PolarHBondContact O-NE2 3.47Å; V327-H391 HydrophobicContact CG1-CB 4.27Å; V327-H391 WeakPolarHBondContact CG1-O 3.16Å; F358-H391 AromaticContact CD1-CD2 3.79Å; F358-H391 HydrophobicContact CE1-CB 3.86Å; F358-H391 AromaticContact CE1-CD2 3.81Å; F358-H391 WeakPolarHBondContact CE1-O 3.32Å; F358-H391 HydrophobicContact CZ-CB 4.16Å; L387-H391 HydrophobicContact CB-CB 4.44Å; L387-H391 HydrophobicContact CD2-CB 4Å; V388-H391 WeakPolarHBondContact CG2-ND1 3.49Å; V388-H391 PolarHBondContact N-ND1 2.99Å; V388-H391 WeakPolarHBondContact O-CB 3.34Å; V388-H391 PolarHBondContact O-N 3.44Å; D389-H391 PolarHBondContact O-N 3.27Å; D389-H391 VanDerWaalsContact O-N 3.16Å; H391-Q393 PolarHBondContact O-N 3.17Å
392	I	94.6	Very high	95.3	Very high	63 Å²	63	36.9 Å²	36.9	32%	0.323	19%	0.185	S	C	.	.			trans	-70	84.3	170.5	-58.7	169	0	0	0	107.8	V327 H329 D389	V327-I392 HydrophobicContact CG1-CG1 4.15Å; H329-I392 HydrophobicContact CB-CD1 4.15Å; D389-I392 WeakPolarHBondContact O-CB 3.4Å; D389-I392 WeakPolarHBondContact O-CD1 3.41Å; D389-I392 VanDerWaalsContact O-CG1 3.24Å; D389-I392 WeakPolarHBondContact O-CG1 3.21Å; D389-I392 PolarHBondContact O-N 2.73Å; D389-I392 VanDerWaalsContact O-N 3.11Å
393	Q	94.3	Very high	94.9	Very high	71 Å²	71	41.9 Å²	41.9	33%	0.332	21%	0.211	S	C	.	.			trans	-137.1	149.3	-178	-64.2	-179.4	42.6	0	0	109.2	F326 P357 E390 H391	F326-Q393 PolarHBondContact N-O 2.87Å; P357-Q393 HydrophobicContact CB-CB 3.61Å; P357-Q393 HydrophobicContact CG-CB 3.83Å; E390-Q393 PolarHBondContact O-NE2 3.03Å; E390-Q393 VanDerWaalsContact O-NE2 3.09Å; H391-Q393 PolarHBondContact O-N 3.17Å
394	D	96.1	Very high	94.7	Very high	95 Å²	95	42.9 Å²	42.9	51%	0.508	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	135	-175.4	-58.5	-28.9	0	0	0	111.4	V323 M324 P325	V323-D394 HydrophobicContact CG1-CB 3.84Å; M324-D394 CarbonylContact O-C 3.55Å; M324-D394 VanDerWaalsContact O-CA 3.25Å; M324-D394 WeakPolarHBondContact O-CA 3.27Å; P325-D394 WeakPolarHBondContact CA-OD1 3.47Å
395	F	96.6	Very high	94.4	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	159.8	161.7	72.2	-92.7	0	0	0	109.4	I206 L322 V323 M324 F326 L341 I343 E355 V397	I206-F395 HydrophobicContact CD1-CE1 3.97Å; I206-F395 HydrophobicContact CD1-CZ 3.88Å; L322-F395 HydrophobicContact CD2-CE2 4.05Å; L322-F395 HydrophobicContact CD2-CZ 4.2Å; L322-F395 HydrophobicContact CG-CE2 4.48Å; V323-F395 WeakPolarHBondContact CA-O 3.42Å; M324-F395 HydrophobicContact CB-CE1 3.82Å; M324-F395 HydrophobicContact CB-CZ 3.87Å; M324-F395 PolarHBondContact N-O 2.8Å; M324-F395 WeakPolarHBondContact O-CD1 2.98Å; M324-F395 VanDerWaalsContact O-CE1 3.3Å; M324-F395 WeakPolarHBondContact O-CE1 3.3Å; M324-F395 PolarHBondContact O-N 2.87Å; F326-F395 HydrophobicContact CB-CD1 4.14Å; F326-F395 HydrophobicContact CD2-CB 4.28Å; F326-F395 HydrophobicContact CD2-CD1 4.27Å; L341-F395 HydrophobicContact CD2-CD1 3.95Å; L341-F395 HydrophobicContact CD2-CE1 3.89Å; L341-F395 HydrophobicContact CD2-CZ 4.41Å; I343-F395 HydrophobicContact CD1-CD2 3.94Å; I343-F395 HydrophobicContact CD1-CE1 4.42Å; I343-F395 HydrophobicContact CD1-CE2 3.31Å; I343-F395 HydrophobicContact CD1-CZ 3.59Å; I343-F395 HydrophobicContact CG1-CE2 4.26Å; I343-F395 HydrophobicContact CG1-CZ 4.1Å; E355-F395 WeakPolarHBondContact O-CA 3.46Å; F395-V397 HydrophobicContact CD2-CG2 3.79Å; F395-V397 HydrophobicContact CE2-CG2 3.73Å
396	K	97	Very high	94.2	Very high	77 Å²	77	46.9 Å²	46.9	34%	0.335	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	128.2	175.8	-179.8	178.4	176.3	-162.5	0	110.6	L322 V323 I354 E355 N398	L322-K396 CarbonylContact O-C 3.55Å; L322-K396 VanDerWaalsContact O-CA 3.31Å; L322-K396 WeakPolarHBondContact O-CA 3.11Å; V323-K396 HydrophobicContact CG2-CB 4.37Å; V323-K396 HydrophobicContact CG2-CD 4.48Å; V323-K396 HydrophobicContact CG2-CG 4.06Å; I354-K396 CarbonylContact C-O 3.57Å; I354-K396 WeakPolarHBondContact CA-O 3.48Å; E355-K396 HydrophobicContact CB-CB 4.28Å; E355-K396 PolarHBondContact N-O 3.47Å; E355-K396 PolarHBondContact O-N 3.28Å; K396-N398 WeakPolarHBondContact CE-OD1 3.41Å
397	V	96.9	Very high	94.1	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	115.1	173.1	177.2	0	0	0	0	109	A321 L322 I343 L345 I352 H353 I354 I380 F395 Y399	A321-V397 CarbonylContact C-O 3.53Å; A321-V397 VanDerWaalsContact CA-O 3.31Å; A321-V397 WeakPolarHBondContact CA-O 3.48Å; L322-V397 HydrophobicContact CB-CB 4.36Å; L322-V397 PolarHBondContact N-O 3.4Å; L322-V397 PolarHBondContact O-N 3.08Å; I343-V397 HydrophobicContact CD1-CG2 3.79Å; L345-V397 HydrophobicContact CD1-CG1 4.21Å; L345-V397 HydrophobicContact CD2-CG1 4.46Å; I352-V397 HydrophobicContact CG2-CG1 4.16Å; H353-V397 CarbonylContact O-C 3.53Å; H353-V397 WeakPolarHBondContact O-CA 3.45Å; I354-V397 HydrophobicContact CB-CG2 4.07Å; I354-V397 HydrophobicContact CD1-CG2 3.9Å; I354-V397 HydrophobicContact CG1-CG2 3.81Å; I380-V397 HydrophobicContact CD1-CG1 3.62Å; I380-V397 HydrophobicContact CD1-CG2 3.99Å; F395-V397 HydrophobicContact CD2-CG2 3.79Å; F395-V397 HydrophobicContact CE2-CG2 3.73Å; V397-Y399 HydrophobicContact CG1-CD1 4.13Å
398	N	97.2	Very high	93.9	Very high	42 Å²	42	54.4 Å²	54.4	23%	0.225	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	135.7	170.2	-54.7	-59.1	0	0	0	109.1	F320 A321 I352 H353 K396	F320-N398 CarbonylContact O-C 3.56Å; F320-N398 WeakPolarHBondContact O-CA 3.11Å; A321-N398 WeakPolarHBondContact CB-OD1 3.17Å; I352-N398 CarbonylContact C-O 3.51Å; I352-N398 WeakPolarHBondContact CA-O 3.44Å; H353-N398 PolarHBondContact N-O 2.81Å; H353-N398 PolarHBondContact O-N 2.8Å; K396-N398 WeakPolarHBondContact CE-OD1 3.41Å
399	Y	96.8	Very high	93.8	Very high	5 Å²	5	55.8 Å²	55.8	2%	0.02	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	159.3	175.4	62.3	-81.6	0	0	0	110	H210 L313 F320 L345 V397 F401	H210-Y399 PolarHBondContact CE1-OH 2.81Å; H210-Y399 VanDerWaalsContact CE1-OH 3.28Å; H210-Y399 AromaticContact NE2-CE2 3.55Å; H210-Y399 AromaticContact NE2-CZ 3.98Å; H210-Y399 PolarHBondContact NE2-OH 2.97Å; L313-Y399 HydrophobicContact CD1-CE1 4.26Å; L313-Y399 VanDerWaalsContact CD1-OH 3.3Å; L313-Y399 WeakPolarHBondContact CD1-OH 2.96Å; F320-Y399 HydrophobicContact CB-CD1 4.25Å; F320-Y399 HydrophobicContact CB-CD2 4.19Å; F320-Y399 HydrophobicContact CB-CE1 3.8Å; F320-Y399 HydrophobicContact CB-CE2 3.73Å; F320-Y399 HydrophobicContact CB-CG 4.44Å; F320-Y399 HydrophobicContact CD2-CE2 4.45Å; F320-Y399 HydrophobicContact CG-CE2 4.23Å; F320-Y399 PolarHBondContact N-O 2.9Å; F320-Y399 PolarHBondContact O-N 3.12Å; L345-Y399 HydrophobicContact CD1-CD1 4.23Å; L345-Y399 HydrophobicContact CD1-CG 4.11Å; L345-Y399 HydrophobicContact CD2-CD1 3.99Å; L345-Y399 HydrophobicContact CD2-CE1 3.83Å; L345-Y399 HydrophobicContact CD2-CG 4.47Å; V397-Y399 HydrophobicContact CG1-CD1 4.13Å; Y399-F401 HydrophobicContact CD2-CB 4.29Å; Y399-F401 HydrophobicContact CE2-CB 4.15Å
400	R	96.4	Very high	93.8	Very high	88 Å²	88	56.1 Å²	56.1	33%	0.332	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128.8	177.2	-170	-176.6	71.9	178.9	-0.2	109.8	P318 S349 D350 D351	P318-R400 HydrophobicContact CB-CG 4.14Å; P318-R400 CarbonylContact O-C 3.39Å; P318-R400 WeakPolarHBondContact O-CA 3.49Å; S349-R400 WeakPolarHBondContact CA-O 3.22Å; D350-R400 HydrophobicContact CB-CB 4.47Å; D350-R400 PolarHBondContact N-O 3.33Å; D350-R400 PolarHBondContact O-N 2.82Å; D350-R400 IonicContact OD2-CZ 3.33Å; D350-R400 IonicContact OD2-NE 3.54Å; D350-R400 IonicContact OD2-NH2 3.83Å; D350-R400 PolarHBondContact OD2-NH2 3.19Å; D351-R400 HydrophobicContact CB-CB 4.34Å; D351-R400 IonicContact OD2-CZ 3.85Å; D351-R400 IonicContact OD2-NE 3.17Å; D351-R400 IonicContact OD2-NH1 2.67Å
401	F	94.2	Very high	93.9	Very high	8 Å²	8	58.8 Å²	58.8	4%	0.035	30%	0.296	C	S	.	.			trans	-136.3	130.4	175.1	179.8	-98.5	0	0	0	110.7	H210 P318 F320 P346 E347 Y399 L403 M405 I406	H210-F401 HydrophobicContact CB-CE1 4.33Å; H210-F401 AromaticContact CD2-CD1 3.27Å; H210-F401 WeakPolarHBondContact CD2-CD1 3.4Å; H210-F401 AromaticContact CD2-CE1 3.41Å; H210-F401 VanDerWaalsContact CD2-CE1 3.41Å; H210-F401 WeakPolarHBondContact CD2-CE1 3.27Å; H210-F401 AromaticContact CD2-CG 3.59Å; H210-F401 AromaticContact CD2-CZ 3.86Å; H210-F401 AromaticContact NE2-CD1 3.47Å; H210-F401 WeakPolarHBondContact NE2-CD1 3.46Å; H210-F401 AromaticContact NE2-CG 3.5Å; P318-F401 PolarHBondContact O-N 2.84Å; P318-F401 VanDerWaalsContact O-O 3.13Å; F320-F401 HydrophobicContact CD2-CB 3.83Å; F320-F401 HydrophobicContact CE2-CB 3.89Å; F320-F401 HydrophobicContact CE2-CD1 4.19Å; F320-F401 WeakPolarHBondContact CE2-O 3.36Å; P346-F401 HydrophobicContact CB-CD2 4.32Å; P346-F401 HydrophobicContact CB-CE2 4.13Å; E347-F401 WeakPolarHBondContact O-CE2 3.49Å; Y399-F401 HydrophobicContact CD2-CB 4.29Å; Y399-F401 HydrophobicContact CE2-CB 4.15Å; F401-L403 HydrophobicContact CE1-CD1 4.4Å; F401-M405 HydrophobicContact CE2-CB 4.37Å; F401-M405 HydrophobicContact CZ-CB 4.3Å; F401-I406 HydrophobicContact CZ-CB 4.32Å
402	V	92.4	Very high	93.8	Very high	66 Å²	66	60.1 Å²	60.1	40%	0.4	30%	0.303	S	S	.	.			trans	-93.4	105.4	-179	177.6	0	0	0	0	108.6	P404 M405	V402-P404 VanDerWaalsContact C-CD 3.47Å; V402-P404 HydrophobicContact CG1-CG 4.43Å; V402-P404 VanDerWaalsContact O-N 3.11Å; V402-M405 HydrophobicContact CB-CG 4.11Å; V402-M405 HydrophobicContact CG1-CG 4.43Å; V402-M405 WeakPolarHBondContact O-CB 3.48Å; V402-M405 WeakPolarHBondContact O-CG 3.39Å; V402-M405 PolarHBondContact O-N 3.07Å
403	L	88.4	Confident	93.9	Very high	105 Å²	105	61 Å²	61	55%	0.55	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-49	-41.6	-169.6	-170	66.7	0	0	0	115.6	F401 M405 I406	F401-L403 HydrophobicContact CE1-CD1 4.4Å; L403-M405 PolarHBondContact O-N 3.13Å; L403-I406 WeakPolarHBondContact O-CB 3.29Å; L403-I406 WeakPolarHBondContact O-CG2 3.22Å; L403-I406 PolarHBondContact O-N 2.78Å
404	P	91.3	Very high	94	Very high	93 Å²	93	61.6 Å²	61.6	60%	0.604	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-54.3	-23.9	174.3	-28.7	34.8	0	0	0	115.5	V402 I406 L407	V402-P404 VanDerWaalsContact C-CD 3.47Å; V402-P404 HydrophobicContact CG1-CG 4.43Å; V402-P404 VanDerWaalsContact O-N 3.11Å; P404-I406 PolarHBondContact O-N 2.88Å; P404-L407 WeakPolarHBondContact O-CB 3.34Å; P404-L407 PolarHBondContact O-N 3.29Å; P404-L407 VanDerWaalsContact O-N 3.13Å
405	M	90.6	Very high	94	Very high	97 Å²	97	62.1 Å²	62.1	48%	0.478	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-64.2	-20.6	177.4	-66.2	-61.2	-173.8	0	0	112.8	F401 V402 L403 L407 R408	F401-M405 HydrophobicContact CE2-CB 4.37Å; F401-M405 HydrophobicContact CZ-CB 4.3Å; V402-M405 HydrophobicContact CB-CG 4.11Å; V402-M405 HydrophobicContact CG1-CG 4.43Å; V402-M405 WeakPolarHBondContact O-CB 3.48Å; V402-M405 WeakPolarHBondContact O-CG 3.39Å; V402-M405 PolarHBondContact O-N 3.07Å; L403-M405 PolarHBondContact O-N 3.13Å; M405-L407 PolarHBondContact O-N 3.23Å; M405-R408 WeakPolarHBondContact O-CB 3.41Å; M405-R408 PolarHBondContact O-N 3.04Å
406	I	90.2	Very high	94	Very high	27 Å²	27	64.6 Å²	64.6	14%	0.138	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-60.4	-27.4	174.2	-154.7	174.1	0	0	0	112.3	H210 W211 F401 L403 P404 R408 E409 P410	H210-I406 HydrophobicContact CB-CD1 3.92Å; W211-I406 HydrophobicContact CD2-CD1 3.77Å; W211-I406 HydrophobicContact CD2-CG1 4.21Å; W211-I406 HydrophobicContact CE3-CD1 4.26Å; W211-I406 HydrophobicContact CG-CD1 4.01Å; W211-I406 HydrophobicContact CZ2-CD1 4.23Å; W211-I406 HydrophobicContact CZ2-CG1 3.82Å; F401-I406 HydrophobicContact CZ-CB 4.32Å; L403-I406 WeakPolarHBondContact O-CB 3.29Å; L403-I406 WeakPolarHBondContact O-CG2 3.22Å; L403-I406 PolarHBondContact O-N 2.78Å; P404-I406 PolarHBondContact O-N 2.88Å; I406-R408 PolarHBondContact O-N 3.21Å; I406-E409 PolarHBondContact O-N 3.22Å; I406-P410 WeakPolarHBondContact O-CD 3.16Å
407	L	92.2	Very high	93.9	Very high	99 Å²	99	66.9 Å²	66.9	52%	0.518	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-69.2	-12.4	177.6	-63.6	175.9	0	0	0	113	P404 M405 E409 P410 M411	P404-L407 WeakPolarHBondContact O-CB 3.34Å; P404-L407 PolarHBondContact O-N 3.29Å; P404-L407 VanDerWaalsContact O-N 3.13Å; M405-L407 PolarHBondContact O-N 3.23Å; L407-E409 VanDerWaalsContact C-N 3.31Å; L407-E409 PolarHBondContact O-N 2.54Å; L407-P410 VanDerWaalsContact O-CD 3.3Å; L407-P410 WeakPolarHBondContact O-CD 3.13Å; L407-P410 VanDerWaalsContact O-CG 3.32Å; L407-P410 WeakPolarHBondContact O-CG 3.18Å; L407-M411 WeakPolarHBondContact O-CB 3.36Å; L407-M411 WeakPolarHBondContact O-CG 3.3Å; L407-M411 PolarHBondContact O-N 3.42Å; L407-M411 VanDerWaalsContact O-N 3.16Å
408	R	91.6	Very high	94	Very high	94 Å²	94	72.1 Å²	72.1	36%	0.355	38%	0.376	S	S	.	.	H	α-helix	trans	-59.1	-43	175.5	-172.6	-171.6	-171.5	176.6	11.1	111.7	E347 T374 M405 I406 M411 M412	E347-R408 VanDerWaalsContact CD-NH1 3.26Å; E347-R408 IonicContact OE1-NH1 2.83Å; E347-R408 IonicContact OE2-CZ 3.77Å; E347-R408 IonicContact OE2-NE 3.51Å; E347-R408 IonicContact OE2-NH1 2.77Å; E347-R408 PolarHBondContact OE2-NH1 3.48Å; T374-R408 PolarHBondContact OG1-NH1 2.98Å; T374-R408 VanDerWaalsContact OG1-NH1 3.11Å; T374-R408 PolarHBondContact OG1-NH2 3.43Å; M405-R408 WeakPolarHBondContact O-CB 3.41Å; M405-R408 PolarHBondContact O-N 3.04Å; I406-R408 PolarHBondContact O-N 3.21Å; R408-M411 PolarHBondContact O-N 3.45Å; R408-M412 HydrophobicContact CG-CE 4.34Å; R408-M412 WeakPolarHBondContact O-CG 3.42Å; R408-M412 PolarHBondContact O-N 3.31Å
409	E	91.8	Very high	94	Very high	28 Å²	28	73.7 Å²	73.7	13%	0.131	39%	0.39	C	S	.	.	H	α-helix	trans	-57.7	-55.4	-178.8	-67.2	-177.3	179.9	0	0	113	W211 L372 R377 I406 L407 M411 M412	W211-E409 PolarHBondContact NE1-OE2 3.31Å; L372-E409 HydrophobicContact CB-CB 4.34Å; L372-E409 HydrophobicContact CB-CG 4.21Å; L372-E409 HydrophobicContact CD1-CB 4.26Å; R377-E409 IonicContact NH2-OE1 2.69Å; R377-E409 PolarHBondContact NH2-OE1 3.37Å; R377-E409 VanDerWaalsContact NH2-OE1 3.17Å; I406-E409 PolarHBondContact O-N 3.22Å; L407-E409 VanDerWaalsContact C-N 3.31Å; L407-E409 PolarHBondContact O-N 2.54Å; E409-M411 VanDerWaalsContact C-N 3.33Å; E409-M411 PolarHBondContact O-N 3.16Å; E409-M412 HydrophobicContact CB-CE 4.45Å; E409-M412 HydrophobicContact CG-CE 4.31Å; E409-M412 PolarHBondContact O-N 3.35Å
410	P	94.5	Very high	94	Very high	43 Å²	43	78.2 Å²	78.2	28%	0.279	41%	0.413	S	S	.	.	H	α-helix	trans	-65.6	-33.7	175.6	23.3	-32.6	0	0	0	112.8	W211 I406 L407 M412 L413 V414	W211-P410 HydrophobicContact CH2-CG 4.46Å; I406-P410 WeakPolarHBondContact O-CD 3.16Å; L407-P410 VanDerWaalsContact O-CD 3.3Å; L407-P410 WeakPolarHBondContact O-CD 3.13Å; L407-P410 VanDerWaalsContact O-CG 3.32Å; L407-P410 WeakPolarHBondContact O-CG 3.18Å; P410-M412 VanDerWaalsContact C-N 3.28Å; P410-M412 PolarHBondContact O-N 3.44Å; P410-L413 PolarHBondContact O-N 2.89Å; P410-V414 WeakPolarHBondContact O-CG2 3.4Å; P410-V414 PolarHBondContact O-N 3.4Å
411	M	94.3	Very high	94	Very high	114 Å²	114	80.4 Å²	80.4	56%	0.562	43%	0.426	S	S	*	.	H	α-helix	trans	-64.5	-31.5	177.7	-72.4	-65.3	145.8	0	0	112.8	L407 R408 E409 V414 L415	L407-M411 WeakPolarHBondContact O-CB 3.36Å; L407-M411 WeakPolarHBondContact O-CG 3.3Å; L407-M411 PolarHBondContact O-N 3.42Å; L407-M411 VanDerWaalsContact O-N 3.16Å; R408-M411 PolarHBondContact O-N 3.45Å; E409-M411 VanDerWaalsContact C-N 3.33Å; E409-M411 PolarHBondContact O-N 3.16Å; M411-V414 PolarHBondContact O-N 3.01Å; M411-L415 WeakPolarHBondContact O-CB 3.37Å; M411-L415 PolarHBondContact O-N 3.18Å
412	M	93.2	Very high	94.1	Very high	46 Å²	46	81.2 Å²	81.2	23%	0.227	44%	0.436	C	S	.	.	H	α-helix	trans	-63.5	-42.1	172.9	-74.6	-173	-79.8	0	0	112.5	L372 T374 R408 E409 P410 L415 A416	L372-M412 HydrophobicContact CB-CE 4.29Å; L372-M412 WeakPolarHBondContact O-CE 3.25Å; T374-M412 HydrophobicContact CG2-CE 4.15Å; T374-M412 HydrophobicContact CG2-SD 3.16Å; T374-M412 WeakPolarHBondContact CG2-SD 3.41Å; R408-M412 HydrophobicContact CG-CE 4.34Å; R408-M412 WeakPolarHBondContact O-CG 3.42Å; R408-M412 PolarHBondContact O-N 3.31Å; E409-M412 HydrophobicContact CB-CE 4.45Å; E409-M412 HydrophobicContact CG-CE 4.31Å; E409-M412 PolarHBondContact O-N 3.35Å; P410-M412 VanDerWaalsContact C-N 3.28Å; P410-M412 PolarHBondContact O-N 3.44Å; M412-L415 PolarHBondContact O-N 3.5Å; M412-A416 WeakPolarHBondContact O-CB 3.32Å; M412-A416 PolarHBondContact O-N 2.85Å
413	L	95.2	Very high	94.3	Very high	82 Å²	82	80.8 Å²	80.8	43%	0.429	44%	0.44	S	S	.	.	H	α-helix	trans	-64.2	-46.3	175.3	-68.4	175.1	0	0	0	110.8	L372 P410 L415 A416 F417	L372-L413 HydrophobicContact CD1-CD1 4.38Å; L372-L413 HydrophobicContact CD2-CD1 4.22Å; L372-L413 HydrophobicContact CD2-CD2 3.81Å; L372-L413 HydrophobicContact CD2-CG 3.87Å; P410-L413 PolarHBondContact O-N 2.89Å; L413-L415 VanDerWaalsContact C-N 3.31Å; L413-L415 PolarHBondContact O-N 3.2Å; L413-A416 PolarHBondContact O-N 3.24Å; L413-F417 VanDerWaalsContact O-CD2 3.25Å; L413-F417 WeakPolarHBondContact O-CD2 3.42Å; L413-F417 PolarHBondContact O-N 3.24Å
414	V	97.1	Very high	94.7	Very high	83 Å²	83	79.5 Å²	79.5	50%	0.503	44%	0.436	S	S	.	.	H	α-helix	trans	-56.7	-46.3	176.4	173.1	0	0	0	0	111.1	P410 M411 F417 L418	P410-V414 WeakPolarHBondContact O-CG2 3.4Å; P410-V414 PolarHBondContact O-N 3.4Å; M411-V414 PolarHBondContact O-N 3.01Å; V414-F417 PolarHBondContact O-N 3.31Å; V414-L418 WeakPolarHBondContact O-CB 3.43Å; V414-L418 PolarHBondContact O-N 2.88Å
415	L	95.9	Very high	94.9	Very high	107 Å²	107	80.2 Å²	80.2	56%	0.56	43%	0.433	S	S	*	.	H	α-helix	trans	-63.2	-43.2	178	-178.2	62.2	0	0	0	111.8	M411 M412 L413 F417 L418 C419	M411-L415 WeakPolarHBondContact O-CB 3.37Å; M411-L415 PolarHBondContact O-N 3.18Å; M412-L415 PolarHBondContact O-N 3.5Å; L413-L415 VanDerWaalsContact C-N 3.31Å; L413-L415 PolarHBondContact O-N 3.2Å; L415-F417 PolarHBondContact O-N 2.94Å; L415-L418 PolarHBondContact O-N 3.39Å; L415-C419 PolarHBondContact O-N 3.43Å; L415-C419 PolarHBondContact O-SG 2.97Å
416	A	95.9	Very high	95.2	Very high	53 Å²	53	80.6 Å²	80.6	44%	0.438	44%	0.436	S	S	.	.	H	α-helix	trans	-60.4	-46.7	177.7	0	0	0	0	0	111.8	M412 L413 C419 I420	M412-A416 WeakPolarHBondContact O-CB 3.32Å; M412-A416 PolarHBondContact O-N 2.85Å; L413-A416 PolarHBondContact O-N 3.24Å; A416-C419 PolarHBondContact O-N 3.09Å; A416-I420 WeakPolarHBondContact O-CG1 3.31Å; A416-I420 PolarHBondContact O-N 3.32Å; A416-I420 VanDerWaalsContact O-N 3.09Å
417	F	97	Very high	95.4	Very high	124 Å²	124	87.5 Å²	87.5	54%	0.544	46%	0.462	S	S	.	.	H	α-helix	trans	-63.9	-40.7	175	-81.2	-73.1	0	0	0	112	L413 V414 L415 C419 I420 F421	L413-F417 VanDerWaalsContact O-CD2 3.25Å; L413-F417 WeakPolarHBondContact O-CD2 3.42Å; L413-F417 PolarHBondContact O-N 3.24Å; V414-F417 PolarHBondContact O-N 3.31Å; L415-F417 PolarHBondContact O-N 2.94Å; F417-C419 VanDerWaalsContact C-N 3.32Å; F417-C419 PolarHBondContact O-N 3.17Å; F417-I420 WeakPolarHBondContact O-CB 3.38Å; F417-I420 PolarHBondContact O-N 3.43Å; F417-I420 VanDerWaalsContact O-N 3.17Å; F417-F421 WeakPolarHBondContact O-CD2 3.13Å; F417-F421 PolarHBondContact O-N 3.43Å
418	L	97.3	Very high	95.5	Very high	110 Å²	110	88.1 Å²	88.1	58%	0.576	47%	0.47	S	S	*	.	H	α-helix	trans	-60.3	-42.2	175.8	-167.3	160.9	0	0	0	111.3	V414 L415 I420 F421 G422	V414-L418 WeakPolarHBondContact O-CB 3.43Å; V414-L418 PolarHBondContact O-N 2.88Å; L415-L418 PolarHBondContact O-N 3.39Å; L418-I420 PolarHBondContact O-N 2.89Å; L418-F421 PolarHBondContact O-N 3.37Å; L418-G422 PolarHBondContact O-N 2.8Å
419	C	96.9	Very high	95.5	Very high	75 Å²	75	93.9 Å²	93.9	51%	0.507	49%	0.491	S	S	.	.	H	α-helix	trans	-62	-40.3	174.5	-70.7	0	0	0	0	112.5	L415 A416 F417 G422 A423	L415-C419 PolarHBondContact O-N 3.43Å; L415-C419 PolarHBondContact O-SG 2.97Å; A416-C419 PolarHBondContact O-N 3.09Å; F417-C419 VanDerWaalsContact C-N 3.32Å; F417-C419 PolarHBondContact O-N 3.17Å; C419-G422 PolarHBondContact O-N 3.48Å; C419-A423 WeakPolarHBondContact O-CB 3.33Å; C419-A423 PolarHBondContact O-N 3.35Å
420	I	97.2	Very high	95.4	Very high	100 Å²	100	96.4 Å²	96.4	51%	0.513	51%	0.505	S	S	.	.	H	α-helix	trans	-61.1	-50.7	174.9	-67.6	168	0	0	0	110.2	A416 F417 L418 G422 A423 V424	A416-I420 WeakPolarHBondContact O-CG1 3.31Å; A416-I420 PolarHBondContact O-N 3.32Å; A416-I420 VanDerWaalsContact O-N 3.09Å; F417-I420 WeakPolarHBondContact O-CB 3.38Å; F417-I420 PolarHBondContact O-N 3.43Å; F417-I420 VanDerWaalsContact O-N 3.17Å; L418-I420 PolarHBondContact O-N 2.89Å; I420-G422 VanDerWaalsContact C-N 3.32Å; I420-G422 PolarHBondContact O-N 3.42Å; I420-A423 PolarHBondContact O-N 2.98Å; I420-V424 WeakPolarHBondContact O-CG2 3.18Å; I420-V424 PolarHBondContact O-N 3.2Å
421	F	96.9	Very high	94.9	Very high	135 Å²	135	100 Å²	100	59%	0.592	52%	0.522	S	S	*	.	H	α-helix	trans	-62.7	-38.6	177.5	-74.2	-67.5	0	0	0	112.3	F417 L418 V424 I425	F417-F421 WeakPolarHBondContact O-CD2 3.13Å; F417-F421 PolarHBondContact O-N 3.43Å; L418-F421 PolarHBondContact O-N 3.37Å; F421-V424 PolarHBondContact O-N 3.27Å; F421-I425 VanDerWaalsContact O-CG1 3.28Å; F421-I425 WeakPolarHBondContact O-CG1 3.28Å; F421-I425 PolarHBondContact O-N 2.92Å
422	G	97.1	Very high	94.5	Very high	25 Å²	25	101.8 Å²	101.8	26%	0.258	53%	0.527	S	S	.	.	H	α-helix	trans	-61.6	-43.7	174.1	0	0	0	0	0	112.6	L418 C419 I420 I425 I426	L418-G422 PolarHBondContact O-N 2.8Å; C419-G422 PolarHBondContact O-N 3.48Å; I420-G422 VanDerWaalsContact C-N 3.32Å; I420-G422 PolarHBondContact O-N 3.42Å; G422-I425 PolarHBondContact O-N 2.9Å; G422-I426 VanDerWaalsContact O-CG1 3.31Å; G422-I426 WeakPolarHBondContact O-CG1 3.29Å; G422-I426 PolarHBondContact O-N 3.33Å
423	A	96.4	Very high	94.1	Very high	57 Å²	57	102.5 Å²	102.5	47%	0.471	54%	0.537	S	S	.	.	H	α-helix	trans	-63.9	-40.4	175.7	0	0	0	0	0	111.9	C419 I420 I426 Y427	C419-A423 WeakPolarHBondContact O-CB 3.33Å; C419-A423 PolarHBondContact O-N 3.35Å; I420-A423 PolarHBondContact O-N 2.98Å; A423-I426 PolarHBondContact O-N 3.32Å; A423-Y427 VanDerWaalsContact O-CB 3.29Å; A423-Y427 WeakPolarHBondContact O-CB 3.48Å; A423-Y427 PolarHBondContact O-N 3.15Å
424	V	96.6	Very high	93.5	Very high	78 Å²	78	107.1 Å²	107.1	47%	0.473	56%	0.56	S	S	.	*	H	α-helix	trans	-61	-48.4	172.7	172.9	0	0	0	0	110.4	I420 F421 I426 Y427 V428	I420-V424 WeakPolarHBondContact O-CG2 3.18Å; I420-V424 PolarHBondContact O-N 3.2Å; F421-V424 PolarHBondContact O-N 3.27Å; V424-I426 VanDerWaalsContact C-N 3.31Å; V424-I426 PolarHBondContact O-N 3.14Å; V424-Y427 PolarHBondContact O-N 3.36Å; V424-Y427 VanDerWaalsContact O-N 3.14Å; V424-V428 HydrophobicContact CG1-CG2 4.22Å; V424-V428 WeakPolarHBondContact O-CG2 3.35Å; V424-V428 PolarHBondContact O-N 3.04Å
425	I	95.9	Very high	92.9	Very high	107 Å²	107	112.4 Å²	112.4	55%	0.549	57%	0.572	S	S	.	*	H	α-helix	trans	-57.1	-45.5	177.7	-70.3	164.5	0	0	0	110.9	F421 G422 R429	F421-I425 VanDerWaalsContact O-CG1 3.28Å; F421-I425 WeakPolarHBondContact O-CG1 3.28Å; F421-I425 PolarHBondContact O-N 2.92Å; G422-I425 PolarHBondContact O-N 2.9Å; I425-R429 WeakPolarHBondContact O-CG 3.32Å; I425-R429 PolarHBondContact O-N 3.38Å
426	I	95.5	Very high	92.1	Very high	106 Å²	106	113.7 Å²	113.7	54%	0.544	57%	0.573	S	S	.	*	H	α-helix	trans	-62.2	-47.3	176.8	-68	165.2	0	0	0	110.1	G422 A423 V424 V428 R429 L430	G422-I426 VanDerWaalsContact O-CG1 3.31Å; G422-I426 WeakPolarHBondContact O-CG1 3.29Å; G422-I426 PolarHBondContact O-N 3.33Å; A423-I426 PolarHBondContact O-N 3.32Å; V424-I426 VanDerWaalsContact C-N 3.31Å; V424-I426 PolarHBondContact O-N 3.14Å; I426-V428 PolarHBondContact O-N 2.84Å; I426-R429 PolarHBondContact O-N 2.91Å; I426-L430 HydrophobicContact CG2-CD1 3.78Å; I426-L430 HydrophobicContact CG2-CG 4.31Å; I426-L430 WeakPolarHBondContact O-CG 3.39Å; I426-L430 PolarHBondContact O-N 3.45Å; I426-L430 VanDerWaalsContact O-N 3.15Å
427	Y	94.9	Very high	91.4	Very high	171 Å²	171	114.9 Å²	114.9	67%	0.671	57%	0.572	S	S	*	*	H	α-helix	trans	-59.6	-45.4	-179.1	-178.9	-101.4	0	0	0	112.7	A423 V424 R429 L430	A423-Y427 VanDerWaalsContact O-CB 3.29Å; A423-Y427 WeakPolarHBondContact O-CB 3.48Å; A423-Y427 PolarHBondContact O-N 3.15Å; V424-Y427 PolarHBondContact O-N 3.36Å; V424-Y427 VanDerWaalsContact O-N 3.14Å; Y427-R429 PolarHBondContact O-N 2.97Å; Y427-L430 PolarHBondContact O-N 3.16Å; Y427-L430 VanDerWaalsContact O-N 3.16Å
428	V	93.7	Very high	90.7	Very high	113 Å²	113	116.4 Å²	116.4	69%	0.685	58%	0.581	S	S	*	*	H	α-helix	trans	-67.3	-17	177.7	-173.3	0	0	0	0	112.2	V424 I426	V424-V428 HydrophobicContact CG1-CG2 4.22Å; V424-V428 WeakPolarHBondContact O-CG2 3.35Å; V424-V428 PolarHBondContact O-N 3.04Å; I426-V428 PolarHBondContact O-N 2.84Å
429	R	91.9	Very high	90	Very high	214 Å²	214	119.2 Å²	119.2	81%	0.808	59%	0.589	S	S	*	*	H	α-helix	trans	-93.9	-10.5	176.6	-65.3	-66.9	-178.3	112.7	0.2	113.8	I425 I426 Y427	I425-R429 WeakPolarHBondContact O-CG 3.32Å; I425-R429 PolarHBondContact O-N 3.38Å; I426-R429 PolarHBondContact O-N 2.91Å; Y427-R429 PolarHBondContact O-N 2.97Å
430	L	91	Very high	89.3	Confident	81 Å²	81	119.7 Å²	119.7	42%	0.424	59%	0.586	S	S	.	*			trans	-92.5	114.7	176.3	-66.4	168.7	0	0	0	108.7	I426 Y427 F432	I426-L430 HydrophobicContact CG2-CD1 3.78Å; I426-L430 HydrophobicContact CG2-CG 4.31Å; I426-L430 WeakPolarHBondContact O-CG 3.39Å; I426-L430 PolarHBondContact O-N 3.45Å; I426-L430 VanDerWaalsContact O-N 3.15Å; Y427-L430 PolarHBondContact O-N 3.16Å; Y427-L430 VanDerWaalsContact O-N 3.16Å; L430-F432 HydrophobicContact CB-CD2 3.85Å; L430-F432 HydrophobicContact CB-CE2 3.59Å; L430-F432 HydrophobicContact CB-CG 4.43Å; L430-F432 HydrophobicContact CB-CZ 3.97Å; L430-F432 HydrophobicContact CD1-CE2 3.72Å; L430-F432 HydrophobicContact CD1-CZ 3.67Å; L430-F432 HydrophobicContact CD2-CZ 4.5Å; L430-F432 HydrophobicContact CG-CE2 4.23Å; L430-F432 HydrophobicContact CG-CZ 4.25Å
431	D	83.6	Confident	88.7	Confident	119 Å²	119	118.5 Å²	118.5	64%	0.636	58%	0.579	S	S	*	*			trans	-75.7	-30	-174.1	60.2	-10.5	0	0	0	113.4	S433	D431-S433 PolarHBondContact O-N 2.67Å
432	F	85.2	Confident	88.1	Confident	152 Å²	152	116 Å²	116	67%	0.667	57%	0.571	S	S	*	*			trans	39.2	18.1	178.3	-68.7	-47.3	0	0	0	116.6	L430	L430-F432 HydrophobicContact CB-CD2 3.85Å; L430-F432 HydrophobicContact CB-CE2 3.59Å; L430-F432 HydrophobicContact CB-CG 4.43Å; L430-F432 HydrophobicContact CB-CZ 3.97Å; L430-F432 HydrophobicContact CD1-CE2 3.72Å; L430-F432 HydrophobicContact CD1-CZ 3.67Å; L430-F432 HydrophobicContact CD2-CZ 4.5Å; L430-F432 HydrophobicContact CG-CE2 4.23Å; L430-F432 HydrophobicContact CG-CZ 4.25Å
433	S	85.1	Confident	87.5	Confident	61 Å²	61	123.3 Å²	123.3	43%	0.427	59%	0.591	S	S	.	*			trans	-84.8	123.2	-175.8	65	0	0	0	0	109.1	D431 Y435	D431-S433 PolarHBondContact O-N 2.67Å; S433-Y435 VanDerWaalsContact C-N 3.34Å
434	I	83.2	Confident	87	Confident	179 Å²	179	125.8 Å²	125.8	92%	0.918	60%	0.595	S	S	*	*	S	Bend	trans	-71.7	-35.6	177.9	-62.4	172.2	0	0	0	110.3
435	Y	83	Confident	86.6	Confident	194 Å²	194	128.8 Å²	128.8	76%	0.761	60%	0.598	S	S	*	*	S	Bend	trans	-124.4	127.8	176.7	-170.1	-92.2	0	0	0	108.9	S433 D437	S433-Y435 VanDerWaalsContact C-N 3.34Å; Y435-D437 PolarHBondContact O-N 3.43Å
436	K	79	Confident	86.1	Confident	134 Å²	134	124.7 Å²	124.7	58%	0.583	58%	0.578	S	S	*	*			trans	-80.4	113.9	175.1	-69	-174	177.3	-173.9	0	108.9	E438	K436-E438 PolarHBondContact O-N 2.66Å
437	D	82.2	Confident	85.7	Confident	77 Å²	77	124.6 Å²	124.6	41%	0.412	58%	0.575	S	S	.	*			trans	-77.4	90.6	172.1	-176.1	0.1	0	0	0	109.5	Y435 K439 N440 E441	Y435-D437 PolarHBondContact O-N 3.43Å; D437-K439 PolarHBondContact O-N 3.41Å; D437-K439 VanDerWaalsContact O-N 3.12Å; D437-K439 WeakPolarHBondContact OD1-CB 3.4Å; D437-K439 PolarHBondContact OD1-N 2.86Å; D437-N440 HydrophobicContact CB-CB 4.17Å; D437-N440 PolarHBondContact O-N 3.04Å; D437-N440 VanDerWaalsContact OD2-CG 3.29Å; D437-N440 PolarHBondContact OD2-ND2 3.06Å; D437-E441 PolarHBondContact O-N 3.29Å
438	E	82	Confident	85.4	Confident	156 Å²	156	120.8 Å²	120.8	73%	0.729	57%	0.57	S	S	*	*	H	α-helix	trans	-52.3	-33.3	179	-67.8	-174.6	162.4	0	0	112.2	K436 E441 L442	K436-E438 PolarHBondContact O-N 2.66Å; E438-E441 PolarHBondContact O-N 3.18Å; E438-L442 VanDerWaalsContact O-CB 3.28Å; E438-L442 WeakPolarHBondContact O-CB 3.28Å; E438-L442 PolarHBondContact O-N 3.12Å
439	K	82.6	Confident	85.2	Confident	169 Å²	169	116.4 Å²	116.4	74%	0.735	54%	0.543	S	S	*	.	H	α-helix	trans	-67.6	-40.9	-179.8	-170.7	-179.3	-179.7	179.3	0	111.6	D437 R443	D437-K439 PolarHBondContact O-N 3.41Å; D437-K439 VanDerWaalsContact O-N 3.12Å; D437-K439 WeakPolarHBondContact OD1-CB 3.4Å; D437-K439 PolarHBondContact OD1-N 2.86Å; K439-R443 WeakPolarHBondContact O-CB 3.38Å; K439-R443 PolarHBondContact O-N 2.69Å
440	N	83	Confident	85	Confident	86 Å²	86	106.9 Å²	106.9	46%	0.46	51%	0.509	S	S	.	.	H	α-helix	trans	-71.4	-38.9	176.4	-86.8	-29.5	0	0	0	111.7	D437 R443 L444	D437-N440 HydrophobicContact CB-CB 4.17Å; D437-N440 PolarHBondContact O-N 3.04Å; D437-N440 VanDerWaalsContact OD2-CG 3.29Å; D437-N440 PolarHBondContact OD2-ND2 3.06Å; N440-R443 PolarHBondContact O-N 3.43Å; N440-L444 WeakPolarHBondContact O-CG 3.4Å; N440-L444 PolarHBondContact O-N 2.97Å
441	E	83.5	Confident	84.9	Confident	75 Å²	75	107 Å²	107	35%	0.35	51%	0.51	S	S	.	.	H	α-helix	trans	-62.8	-43	174	-171.1	177.2	171.8	0	0	111.6	D437 E438 R443 L444 R445	D437-E441 PolarHBondContact O-N 3.29Å; E438-E441 PolarHBondContact O-N 3.18Å; E441-R443 VanDerWaalsContact C-N 3.35Å; E441-R443 PolarHBondContact O-N 2.81Å; E441-L444 PolarHBondContact O-N 3.4Å; E441-R445 WeakPolarHBondContact O-CG 3.44Å; E441-R445 PolarHBondContact O-N 2.97Å; E441-R445 IonicContact OE1-CZ 2.83Å; E441-R445 IonicContact OE1-NE 3.24Å; E441-R445 PolarHBondContact OE1-NE 2.92Å; E441-R445 IonicContact OE1-NH2 3.23Å; E441-R445 PolarHBondContact OE1-NH2 3.48Å
442	L	84.1	Confident	85.2	Confident	83 Å²	83	105.4 Å²	105.4	44%	0.435	50%	0.498	S	S	.	.	H	α-helix	trans	-58.9	-46.9	174.3	-154.2	84.2	0	0	0	110.9	E438 L444 R445 T446 L511	E438-L442 VanDerWaalsContact O-CB 3.28Å; E438-L442 WeakPolarHBondContact O-CB 3.28Å; E438-L442 PolarHBondContact O-N 3.12Å; L442-L444 VanDerWaalsContact C-N 3.35Å; L442-L444 PolarHBondContact O-N 3.45Å; L442-R445 PolarHBondContact O-N 3.41Å; L442-T446 PolarHBondContact O-N 3.02Å; L442-T446 PolarHBondContact O-OG1 3.06Å; L442-L511 HydrophobicContact CD1-CD2 3.41Å; L442-L511 VanDerWaalsContact CD1-CD2 3.41Å; L442-L511 HydrophobicContact CD2-CD2 4.47Å; L442-L511 HydrophobicContact CG-CD2 3.91Å
443	R	85.5	Confident	85.4	Confident	177 Å²	177	98.2 Å²	98.2	67%	0.668	47%	0.467	S	S	*	.	H	α-helix	trans	-58.9	-43.3	177.7	-175	178.9	178.9	166.5	2.6	112.2	K439 N440 E441 T446 Q447	K439-R443 WeakPolarHBondContact O-CB 3.38Å; K439-R443 PolarHBondContact O-N 2.69Å; N440-R443 PolarHBondContact O-N 3.43Å; E441-R443 VanDerWaalsContact C-N 3.35Å; E441-R443 PolarHBondContact O-N 2.81Å; R443-T446 PolarHBondContact O-N 3.02Å; R443-Q447 WeakPolarHBondContact O-CB 3.41Å; R443-Q447 PolarHBondContact O-N 2.95Å
444	L	86.4	Confident	85.6	Confident	109 Å²	109	97 Å²	97	57%	0.571	45%	0.454	S	S	*	.	H	α-helix	trans	-65.9	-40.9	177.4	-72.8	169.3	0	0	0	112.2	N440 E441 L442 Q447 T448	N440-L444 WeakPolarHBondContact O-CG 3.4Å; N440-L444 PolarHBondContact O-N 2.97Å; E441-L444 PolarHBondContact O-N 3.4Å; L442-L444 VanDerWaalsContact C-N 3.35Å; L442-L444 PolarHBondContact O-N 3.45Å; L444-Q447 PolarHBondContact O-N 2.87Å; L444-T448 PolarHBondContact O-N 3.24Å; L444-T448 PolarHBondContact O-OG1 3.42Å
445	R	86.7	Confident	85.9	Confident	141 Å²	141	90.9 Å²	90.9	53%	0.532	43%	0.431	S	S	.	.	H	α-helix	trans	-63.9	-44.8	174.7	-71.2	178.6	-175.4	-167.4	3.3	111.4	E441 L442 Q447 T448 L449 L511	E441-R445 WeakPolarHBondContact O-CG 3.44Å; E441-R445 PolarHBondContact O-N 2.97Å; E441-R445 IonicContact OE1-CZ 2.83Å; E441-R445 IonicContact OE1-NE 3.24Å; E441-R445 PolarHBondContact OE1-NE 2.92Å; E441-R445 IonicContact OE1-NH2 3.23Å; E441-R445 PolarHBondContact OE1-NH2 3.48Å; L442-R445 PolarHBondContact O-N 3.41Å; R445-Q447 VanDerWaalsContact C-N 3.35Å; R445-Q447 PolarHBondContact O-N 3.3Å; R445-T448 PolarHBondContact O-N 3.27Å; R445-L449 WeakPolarHBondContact O-CG 3.46Å; R445-L449 PolarHBondContact O-N 3.49Å; R445-L449 VanDerWaalsContact O-N 3.08Å; R445-L511 HydrophobicContact CB-CD1 4.36Å
446	T	85.5	Confident	86.2	Confident	22 Å²	22	82.6 Å²	82.6	14%	0.135	40%	0.399	C	S	.	.	H	α-helix	trans	-58.6	-47.3	174.6	-58.8	0	0	0	0	110.8	L442 R443 T448 L449 V450 Y512	L442-T446 PolarHBondContact O-N 3.02Å; L442-T446 PolarHBondContact O-OG1 3.06Å; R443-T446 PolarHBondContact O-N 3.02Å; T446-T448 VanDerWaalsContact C-N 3.33Å; T446-T448 PolarHBondContact O-N 3.08Å; T446-L449 PolarHBondContact O-N 3.28Å; T446-V450 HydrophobicContact CG2-CG2 4.34Å; T446-V450 VanDerWaalsContact O-CG2 3.32Å; T446-V450 WeakPolarHBondContact O-CG2 3.44Å; T446-V450 PolarHBondContact O-N 3.48Å; T446-Y512 HydrophobicContact CG2-CD1 4.34Å; T446-Y512 HydrophobicContact CG2-CG 4.07Å
447	Q	88	Confident	86.5	Confident	103 Å²	103	76.7 Å²	76.7	48%	0.481	37%	0.374	S	S	.	.	H	α-helix	trans	-61.2	-41	178.6	-173.9	169.2	-0.7	0	0	112.1	R443 L444 R445 L449 V450 D451	R443-Q447 WeakPolarHBondContact O-CB 3.41Å; R443-Q447 PolarHBondContact O-N 2.95Å; L444-Q447 PolarHBondContact O-N 2.87Å; R445-Q447 VanDerWaalsContact C-N 3.35Å; R445-Q447 PolarHBondContact O-N 3.3Å; Q447-L449 VanDerWaalsContact C-N 3.33Å; Q447-L449 PolarHBondContact O-N 3.4Å; Q447-V450 PolarHBondContact O-N 2.87Å; Q447-D451 VanDerWaalsContact O-CG 3.31Å; Q447-D451 PolarHBondContact O-N 2.9Å
448	T	89	Confident	86.7	Confident	91 Å²	91	81 Å²	81	56%	0.558	38%	0.384	S	S	*	.	H	α-helix	trans	-61.8	-41.1	176.9	-53	0	0	0	0	111.8	L444 R445 T446 D451 E452	L444-T448 PolarHBondContact O-N 3.24Å; L444-T448 PolarHBondContact O-OG1 3.42Å; R445-T448 PolarHBondContact O-N 3.27Å; T446-T448 VanDerWaalsContact C-N 3.33Å; T446-T448 PolarHBondContact O-N 3.08Å; T448-D451 PolarHBondContact O-N 3.21Å; T448-E452 PolarHBondContact O-N 2.94Å
449	L	88.3	Confident	86.9	Confident	22 Å²	22	77.1 Å²	77.1	12%	0.115	37%	0.374	C	S	.	.	H	α-helix	trans	-70.7	-37	177.2	-68.3	170.8	0	0	0	112.2	R445 T446 Q447 E452 A453 K507 I508 L511	R445-L449 WeakPolarHBondContact O-CG 3.46Å; R445-L449 PolarHBondContact O-N 3.49Å; R445-L449 VanDerWaalsContact O-N 3.08Å; T446-L449 PolarHBondContact O-N 3.28Å; Q447-L449 VanDerWaalsContact C-N 3.33Å; Q447-L449 PolarHBondContact O-N 3.4Å; L449-E452 PolarHBondContact O-N 3.18Å; L449-A453 WeakPolarHBondContact O-CB 3.44Å; L449-A453 PolarHBondContact O-N 3.44Å; L449-K507 HydrophobicContact CD1-CB 3.96Å; L449-K507 HydrophobicContact CD2-CB 3.98Å; L449-K507 HydrophobicContact CD2-CD 3.94Å; L449-I508 HydrophobicContact CB-CD1 4.22Å; L449-I508 HydrophobicContact CB-CG1 3.67Å; L449-I508 HydrophobicContact CD1-CG1 4.27Å; L449-L511 HydrophobicContact CD1-CD1 3.85Å
450	V	87.9	Confident	87	Confident	14 Å²	14	69.2 Å²	69.2	9%	0.085	34%	0.34	C	S	.	.	H	α-helix	trans	-62.3	-45.3	173.2	168.8	0	0	0	0	110.2	T446 Q447 E452 A453 Q454 L578	T446-V450 HydrophobicContact CG2-CG2 4.34Å; T446-V450 VanDerWaalsContact O-CG2 3.32Å; T446-V450 WeakPolarHBondContact O-CG2 3.44Å; T446-V450 PolarHBondContact O-N 3.48Å; Q447-V450 PolarHBondContact O-N 2.87Å; V450-E452 VanDerWaalsContact C-N 3.33Å; V450-E452 PolarHBondContact O-N 2.77Å; V450-A453 PolarHBondContact O-N 3.18Å; V450-Q454 HydrophobicContact CG1-CG 4.38Å; V450-Q454 WeakPolarHBondContact O-CB 3.43Å; V450-Q454 WeakPolarHBondContact O-CG 3.44Å; V450-Q454 PolarHBondContact O-N 3.48Å; V450-L578 HydrophobicContact CG1-CD2 3.99Å; V450-L578 HydrophobicContact CG1-CG 4.38Å
451	D	89.3	Confident	87.1	Confident	84 Å²	84	67.3 Å²	67.3	45%	0.449	33%	0.333	S	S	.	.	H	α-helix	trans	-61.4	-40.3	175.8	-71.2	-22.3	0	0	0	111.8	Q447 T448 Q454 A455	Q447-D451 VanDerWaalsContact O-CG 3.31Å; Q447-D451 PolarHBondContact O-N 2.9Å; T448-D451 PolarHBondContact O-N 3.21Å; D451-Q454 PolarHBondContact O-N 3.43Å; D451-A455 WeakPolarHBondContact O-CB 3.38Å; D451-A455 PolarHBondContact O-N 3.21Å
452	E	90.1	Very high	87.1	Confident	85 Å²	85	67.2 Å²	67.2	40%	0.397	34%	0.34	S	S	.	.	H	α-helix	trans	-63.1	-44.8	174.3	-169.2	-179.5	177.2	0	0	111.4	T448 L449 V450 A455 L456 V504	T448-E452 PolarHBondContact O-N 2.94Å; L449-E452 PolarHBondContact O-N 3.18Å; V450-E452 VanDerWaalsContact C-N 3.33Å; V450-E452 PolarHBondContact O-N 2.77Å; E452-A455 PolarHBondContact O-N 3.26Å; E452-L456 WeakPolarHBondContact O-CG 3.4Å; E452-L456 PolarHBondContact O-N 3.4Å; E452-V504 HydrophobicContact CG-CG2 3.9Å
453	A	88.4	Confident	87.2	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-62.8	-44.8	175.9	0	0	0	0	0	111.7	L449 V450 A455 L456 L457 V504 I508 L519	L449-A453 WeakPolarHBondContact O-CB 3.44Å; L449-A453 PolarHBondContact O-N 3.44Å; V450-A453 PolarHBondContact O-N 3.18Å; A453-A455 VanDerWaalsContact C-N 3.33Å; A453-A455 PolarHBondContact O-N 3.05Å; A453-L456 PolarHBondContact O-N 2.97Å; A453-L457 WeakPolarHBondContact O-CB 3.32Å; A453-L457 VanDerWaalsContact O-CG 3.28Å; A453-L457 WeakPolarHBondContact O-CG 3.4Å; A453-L457 PolarHBondContact O-N 3.24Å; A453-V504 HydrophobicContact CB-CG1 3.93Å; A453-I508 HydrophobicContact CB-CD1 4.05Å; A453-L519 HydrophobicContact CB-CD2 4.33Å
454	Q	88.8	Confident	87.3	Confident	36 Å²	36	56.1 Å²	56.1	17%	0.168	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-39.8	176.3	-72	-175.7	-3.2	0	0	111.7	V450 D451 L457 R458 L575 L578	V450-Q454 HydrophobicContact CG1-CG 4.38Å; V450-Q454 WeakPolarHBondContact O-CB 3.43Å; V450-Q454 WeakPolarHBondContact O-CG 3.44Å; V450-Q454 PolarHBondContact O-N 3.48Å; D451-Q454 PolarHBondContact O-N 3.43Å; Q454-L457 PolarHBondContact O-N 3.33Å; Q454-R458 WeakPolarHBondContact O-CG 3.41Å; Q454-R458 PolarHBondContact O-N 2.91Å; Q454-L575 HydrophobicContact CB-CD1 4.35Å; Q454-L575 HydrophobicContact CG-CD1 3.91Å; Q454-L575 HydrophobicContact CG-CG 4.4Å; Q454-L578 HydrophobicContact CG-CD2 4.17Å; Q454-L578 PolarHBondContact NE2-OXT 2.9Å
455	A	89.8	Confident	87.3	Confident	51 Å²	51	56.3 Å²	56.3	42%	0.421	29%	0.291	S	S	.	.	H	α-helix	trans	-62.3	-44.6	175.5	0	0	0	0	0	111.9	D451 E452 A453 R458 C459	D451-A455 WeakPolarHBondContact O-CB 3.38Å; D451-A455 PolarHBondContact O-N 3.21Å; E452-A455 PolarHBondContact O-N 3.26Å; A453-A455 VanDerWaalsContact C-N 3.33Å; A453-A455 PolarHBondContact O-N 3.05Å; A455-R458 PolarHBondContact O-N 3.45Å; A455-C459 PolarHBondContact O-N 3.36Å; A455-C459 PolarHBondContact O-SG 3.42Å
456	L	89.1	Confident	87.5	Confident	19 Å²	19	51.8 Å²	51.8	10%	0.099	28%	0.281	C	S	.	.	H	α-helix	trans	-63.3	-40.9	175.3	-67.8	173.2	0	0	0	112.1	E452 A453 R458 C459 R460 L497 Q500 L501 V504	E452-L456 WeakPolarHBondContact O-CG 3.4Å; E452-L456 PolarHBondContact O-N 3.4Å; A453-L456 PolarHBondContact O-N 2.97Å; L456-R458 VanDerWaalsContact C-N 3.35Å; L456-R458 PolarHBondContact O-N 3.43Å; L456-C459 WeakPolarHBondContact O-CB 3.34Å; L456-C459 PolarHBondContact O-N 3.02Å; L456-R460 PolarHBondContact O-N 3.07Å; L456-L497 HydrophobicContact CB-CD1 4.26Å; L456-L497 HydrophobicContact CD2-CD1 3.9Å; L456-Q500 HydrophobicContact CD1-CB 3.95Å; L456-Q500 HydrophobicContact CD2-CB 4.06Å; L456-L501 HydrophobicContact CB-CD1 4.34Å; L456-L501 HydrophobicContact CD1-CD1 4.48Å; L456-V504 HydrophobicContact CD1-CG2 3.83Å
457	L	86.8	Confident	87.7	Confident	10 Å²	10	51 Å²	51	5%	0.052	28%	0.276	C	S	.	.	H	α-helix	trans	-66.5	-34.7	176.5	-70.3	172.9	0	0	0	112.5	A453 Q454 R460 S461 L501 L519 I522 L575	A453-L457 WeakPolarHBondContact O-CB 3.32Å; A453-L457 VanDerWaalsContact O-CG 3.28Å; A453-L457 WeakPolarHBondContact O-CG 3.4Å; A453-L457 PolarHBondContact O-N 3.24Å; Q454-L457 PolarHBondContact O-N 3.33Å; L457-R460 WeakPolarHBondContact O-CB 3.48Å; L457-R460 PolarHBondContact O-N 3.48Å; L457-R460 VanDerWaalsContact O-N 3.16Å; L457-S461 PolarHBondContact O-N 3.33Å; L457-L501 HydrophobicContact CD2-CD1 4.29Å; L457-L501 HydrophobicContact CD2-CD2 3.97Å; L457-L501 HydrophobicContact CG-CD1 4.26Å; L457-L519 HydrophobicContact CD1-CD2 3.88Å; L457-I522 HydrophobicContact CD1-CD1 3.91Å; L457-I522 HydrophobicContact CD1-CG2 4.12Å; L457-I522 HydrophobicContact CD2-CG2 3.47Å; L457-I522 VanDerWaalsContact CD2-CG2 3.47Å; L457-I522 HydrophobicContact CG-CG2 4.45Å; L457-L575 HydrophobicContact CB-CD1 3.92Å; L457-L575 HydrophobicContact CD1-CD1 3.42Å; L457-L575 VanDerWaalsContact CD1-CD1 3.42Å; L457-L575 HydrophobicContact CG-CD1 4.32Å
458	R	86	Confident	87.7	Confident	167 Å²	167	48.2 Å²	48.2	63%	0.63	26%	0.263	S	S	*	.	H	α-helix	trans	-66.2	-40.8	171.1	-73.9	177.6	-175.7	162.8	6.5	112.1	Q454 A455 L456 R460 S461 S462	Q454-R458 WeakPolarHBondContact O-CG 3.41Å; Q454-R458 PolarHBondContact O-N 2.91Å; A455-R458 PolarHBondContact O-N 3.45Å; L456-R458 VanDerWaalsContact C-N 3.35Å; L456-R458 PolarHBondContact O-N 3.43Å; R458-R460 PolarHBondContact O-N 3.39Å; R458-S461 WeakPolarHBondContact O-CB 3.46Å; R458-S461 PolarHBondContact O-N 3.33Å; R458-S461 VanDerWaalsContact O-N 3.13Å; R458-S462 PolarHBondContact O-N 3.02Å
459	C	87	Confident	87.7	Confident	76 Å²	76	48.4 Å²	48.4	51%	0.514	26%	0.26	S	S	.	.	H	α-helix	trans	-58.3	-33.2	171.1	-70.8	0	0	0	0	111.7	A455 L456 S461 S462 F463 L497	A455-C459 PolarHBondContact O-N 3.36Å; A455-C459 PolarHBondContact O-SG 3.42Å; L456-C459 WeakPolarHBondContact O-CB 3.34Å; L456-C459 PolarHBondContact O-N 3.02Å; C459-S461 PolarHBondContact O-N 3.22Å; C459-S462 WeakPolarHBondContact O-CB 3.49Å; C459-S462 PolarHBondContact O-N 3.45Å; C459-F463 PolarHBondContact O-N 3.06Å; C459-F463 VanDerWaalsContact O-N 3.08Å; C459-L497 HydrophobicContact CB-CD1 4.07Å
460	R	84.4	Confident	87.8	Confident	3 Å²	3	47.7 Å²	47.7	1%	0.011	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-38.2	175	-154.3	171.4	74.8	177	5.6	113.5	L456 L457 R458 S462 F463 Y464 L497 I522 D526	L456-R460 PolarHBondContact O-N 3.07Å; L457-R460 WeakPolarHBondContact O-CB 3.48Å; L457-R460 PolarHBondContact O-N 3.48Å; L457-R460 VanDerWaalsContact O-N 3.16Å; R458-R460 PolarHBondContact O-N 3.39Å; R460-S462 VanDerWaalsContact C-N 3.28Å; R460-S462 PolarHBondContact O-N 2.93Å; R460-F463 VanDerWaalsContact O-CB 3.29Å; R460-F463 WeakPolarHBondContact O-CB 3.32Å; R460-F463 PolarHBondContact O-N 2.86Å; R460-F463 VanDerWaalsContact O-N 3.1Å; R460-Y464 HydrophobicContact CG-CE1 4.24Å; R460-Y464 PolarHBondContact NE-OH 2.91Å; R460-Y464 PolarHBondContact O-N 3.21Å; R460-Y464 VanDerWaalsContact O-N 3.11Å; R460-L497 HydrophobicContact CB-CD2 3.58Å; R460-L497 HydrophobicContact CG-CD2 3.69Å; R460-I522 PolarHBondContact NH1-O 2.83Å; R460-I522 PolarHBondContact NH2-O 3.06Å; R460-I522 VanDerWaalsContact NH2-O 3.12Å; R460-D526 WeakPolarHBondContact CD-OD1 3.5Å; R460-D526 VanDerWaalsContact CZ-CB 3.41Å; R460-D526 IonicContact CZ-OD1 2.69Å; R460-D526 IonicContact NE-OD1 3.37Å; R460-D526 PolarHBondContact NE-OD1 3.25Å; R460-D526 IonicContact NH1-OD1 3.48Å
461	S	83.5	Confident	87.8	Confident	45 Å²	45	47.1 Å²	47.1	32%	0.315	25%	0.254	S	S	.	.	H	α-helix	trans	-61.7	-38.7	174.9	-174.4	0	0	0	0	111.7	L457 R458 C459 F463 Y464 H465	L457-S461 PolarHBondContact O-N 3.33Å; R458-S461 WeakPolarHBondContact O-CB 3.46Å; R458-S461 PolarHBondContact O-N 3.33Å; R458-S461 VanDerWaalsContact O-N 3.13Å; C459-S461 PolarHBondContact O-N 3.22Å; S461-F463 VanDerWaalsContact C-N 3.34Å; S461-F463 PolarHBondContact O-N 3.28Å; S461-Y464 WeakPolarHBondContact O-CB 3.46Å; S461-Y464 PolarHBondContact O-N 3.01Å; S461-H465 PolarHBondContact O-N 2.97Å; S461-H465 PolarHBondContact O-ND1 2.8Å
462	S	84.9	Confident	87.7	Confident	73 Å²	73	46.6 Å²	46.6	51%	0.51	25%	0.254	S	S	.	.	H	α-helix	trans	-65	-35.3	172.7	-179.7	0	0	0	0	112.8	R458 C459 R460 H465 S466	R458-S462 PolarHBondContact O-N 3.02Å; C459-S462 WeakPolarHBondContact O-CB 3.49Å; C459-S462 PolarHBondContact O-N 3.45Å; R460-S462 VanDerWaalsContact C-N 3.28Å; R460-S462 PolarHBondContact O-N 2.93Å; S462-H465 PolarHBondContact O-N 3.06Å; S462-S466 PolarHBondContact O-N 3.42Å; S462-S466 PolarHBondContact O-OG 3.28Å
463	F	86.6	Confident	87.7	Confident	21 Å²	21	48.9 Å²	48.9	9%	0.092	26%	0.263	C	S	.	.	H	α-helix	trans	-60.5	-43.1	172.6	163	-96	0	0	0	111.9	C459 R460 S461 H465 S466 Y467 L490 Y494 I533	C459-F463 PolarHBondContact O-N 3.06Å; C459-F463 VanDerWaalsContact O-N 3.08Å; R460-F463 VanDerWaalsContact O-CB 3.29Å; R460-F463 WeakPolarHBondContact O-CB 3.32Å; R460-F463 PolarHBondContact O-N 2.86Å; R460-F463 VanDerWaalsContact O-N 3.1Å; S461-F463 VanDerWaalsContact C-N 3.34Å; S461-F463 PolarHBondContact O-N 3.28Å; F463-H465 VanDerWaalsContact C-N 3.34Å; F463-H465 PolarHBondContact O-N 3.45Å; F463-S466 PolarHBondContact O-N 3.25Å; F463-Y467 HydrophobicContact CE2-CD2 4.43Å; F463-Y467 HydrophobicContact CZ-CD2 4.12Å; F463-Y467 PolarHBondContact O-N 3.44Å; F463-L490 HydrophobicContact CD2-CD2 4.18Å; F463-L490 HydrophobicContact CE2-CB 3.93Å; F463-L490 HydrophobicContact CE2-CD2 4.3Å; F463-L490 VanDerWaalsContact CE2-O 3.27Å; F463-L490 WeakPolarHBondContact CE2-O 3.17Å; F463-Y494 HydrophobicContact CD1-CD2 4.17Å; F463-Y494 AromaticContact CE1-CD2 3.64Å; F463-Y494 HydrophobicContact CE1-CD2 3.64Å; F463-Y494 HydrophobicContact CE1-CE2 4.36Å; F463-Y494 HydrophobicContact CE1-CG 4.34Å; F463-Y494 HydrophobicContact CE2-CD2 4.48Å; F463-Y494 AromaticContact CZ-CD2 3.83Å; F463-Y494 HydrophobicContact CZ-CD2 3.83Å; F463-Y494 HydrophobicContact CZ-CG 4.06Å; F463-I533 HydrophobicContact CE1-CD1 4.36Å
464	Y	86.8	Confident	87.8	Confident	6 Å²	6	49.8 Å²	49.8	2%	0.024	27%	0.266	C	S	.	.	H	α-helix	trans	-58.9	-44.7	176.6	-60.8	-26.1	0	0	0	112.3	R460 S461 Y467 E468 D526 Y529 I568 I571	R460-Y464 HydrophobicContact CG-CE1 4.24Å; R460-Y464 PolarHBondContact NE-OH 2.91Å; R460-Y464 PolarHBondContact O-N 3.21Å; R460-Y464 VanDerWaalsContact O-N 3.11Å; S461-Y464 WeakPolarHBondContact O-CB 3.46Å; S461-Y464 PolarHBondContact O-N 3.01Å; Y464-Y467 WeakPolarHBondContact O-CB 3.32Å; Y464-Y467 PolarHBondContact O-N 2.92Å; Y464-E468 PolarHBondContact O-N 3.31Å; Y464-E468 VanDerWaalsContact O-N 3.07Å; Y464-D526 WeakPolarHBondContact CE1-OD1 3.38Å; Y464-D526 PolarHBondContact OH-OD1 3.04Å; Y464-Y529 AromaticContact CD1-CD1 3.35Å; Y464-Y529 HydrophobicContact CD1-CD1 3.35Å; Y464-Y529 AromaticContact CD1-CE1 3.28Å; Y464-Y529 HydrophobicContact CD1-CE1 3.28Å; Y464-Y529 HydrophobicContact CD1-CG 4.21Å; Y464-Y529 HydrophobicContact CD2-CD1 4.32Å; Y464-Y529 HydrophobicContact CD2-CE1 4Å; Y464-Y529 HydrophobicContact CD2-CE2 4.25Å; Y464-Y529 AromaticContact CD2-CZ 3.96Å; Y464-Y529 AromaticContact CE1-CD1 3.34Å; Y464-Y529 HydrophobicContact CE1-CD1 3.34Å; Y464-Y529 AromaticContact CE1-CE1 3.8Å; Y464-Y529 HydrophobicContact CE1-CE1 3.8Å; Y464-Y529 AromaticContact CE1-CG 3.85Å; Y464-Y529 HydrophobicContact CE1-CG 3.85Å; Y464-Y529 HydrophobicContact CE2-CD1 4.29Å; Y464-Y529 HydrophobicContact CE2-CD2 4.32Å; Y464-Y529 HydrophobicContact CE2-CE1 4.41Å; Y464-Y529 HydrophobicContact CE2-CE2 4.43Å; Y464-Y529 HydrophobicContact CE2-CG 4.25Å; Y464-Y529 AromaticContact CG-CD1 3.87Å; Y464-Y529 HydrophobicContact CG-CD1 3.87Å; Y464-Y529 AromaticContact CG-CE1 3.4Å; Y464-Y529 HydrophobicContact CG-CE1 3.4Å; Y464-Y529 HydrophobicContact CG-CE2 4.43Å; Y464-Y529 AromaticContact CG-CZ 3.72Å; Y464-Y529 AromaticContact CZ-CD1 3.81Å; Y464-Y529 AromaticContact CZ-CG 3.84Å; Y464-I568 HydrophobicContact CD2-CD1 4.45Å; Y464-I568 HydrophobicContact CD2-CG1 4.3Å; Y464-I568 HydrophobicContact CE2-CG1 4.36Å; Y464-I571 HydrophobicContact CE2-CD1 4.34Å
465	H	87.5	Confident	87.6	Confident	114 Å²	114	50.8 Å²	50.8	53%	0.528	27%	0.27	S	S	.	.	H	α-helix	trans	-64.8	-41.9	178.2	-73.1	41.9	0	0	0	111.6	S461 S462 F463 Y467 E468 D469	S461-H465 PolarHBondContact O-N 2.97Å; S461-H465 PolarHBondContact O-ND1 2.8Å; S462-H465 PolarHBondContact O-N 3.06Å; F463-H465 VanDerWaalsContact C-N 3.34Å; F463-H465 PolarHBondContact O-N 3.45Å; H465-Y467 PolarHBondContact O-N 3.28Å; H465-E468 PolarHBondContact O-N 3.46Å; H465-D469 WeakPolarHBondContact O-CB 3.4Å; H465-D469 PolarHBondContact O-N 2.9Å
466	S	89.9	Confident	87.5	Confident	45 Å²	45	52.5 Å²	52.5	32%	0.315	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-33.4	177.3	-57.4	0	0	0	0	112	S462 F463 A470	S462-S466 PolarHBondContact O-N 3.42Å; S462-S466 PolarHBondContact O-OG 3.28Å; F463-S466 PolarHBondContact O-N 3.25Å; S466-A470 WeakPolarHBondContact O-CB 3.35Å; S466-A470 PolarHBondContact O-N 3.46Å
467	Y	89	Confident	87.5	Confident	7 Å²	7	54.9 Å²	54.9	3%	0.027	30%	0.302	C	S	.	.	H	α-helix	trans	-69.2	-47	174.2	-150.9	-71.2	0	0	0	112.5	F463 Y464 H465 D469 A470 L471 L490 I533 I537	F463-Y467 HydrophobicContact CE2-CD2 4.43Å; F463-Y467 HydrophobicContact CZ-CD2 4.12Å; F463-Y467 PolarHBondContact O-N 3.44Å; Y464-Y467 WeakPolarHBondContact O-CB 3.32Å; Y464-Y467 PolarHBondContact O-N 2.92Å; H465-Y467 PolarHBondContact O-N 3.28Å; Y467-D469 VanDerWaalsContact C-N 3.28Å; Y467-D469 PolarHBondContact O-N 3.49Å; Y467-A470 PolarHBondContact O-N 2.87Å; Y467-L471 WeakPolarHBondContact O-CB 3.46Å; Y467-L471 PolarHBondContact O-N 2.92Å; Y467-L490 HydrophobicContact CD2-CB 4.32Å; Y467-L490 HydrophobicContact CD2-CD1 3.86Å; Y467-L490 HydrophobicContact CE2-CD1 4.38Å; Y467-L490 HydrophobicContact CG-CD1 4.29Å; Y467-I533 HydrophobicContact CD1-CB 4.43Å; Y467-I533 HydrophobicContact CD1-CD1 4.32Å; Y467-I533 HydrophobicContact CD1-CG1 4.37Å; Y467-I533 HydrophobicContact CD1-CG2 3.28Å; Y467-I533 HydrophobicContact CD2-CD1 4.14Å; Y467-I533 HydrophobicContact CD2-CG2 3.93Å; Y467-I533 HydrophobicContact CE1-CB 4.42Å; Y467-I533 HydrophobicContact CE1-CG2 3Å; Y467-I533 HydrophobicContact CE2-CG2 3.66Å; Y467-I533 HydrophobicContact CG-CD1 3.91Å; Y467-I533 HydrophobicContact CG-CG1 4.45Å; Y467-I533 HydrophobicContact CG-CG2 3.76Å; Y467-I537 HydrophobicContact CE1-CD1 4.06Å; Y467-I537 HydrophobicContact CE1-CG1 3.94Å; Y467-I537 WeakPolarHBondContact OH-CD1 3.41Å
468	E	87.9	Confident	87.4	Confident	43 Å²	43	61.9 Å²	61.9	20%	0.201	33%	0.332	C	S	.	.	H	α-helix	trans	-61.5	-37.3	176.5	-70.7	-58.7	150.3	0	0	112	Y464 H465 L471 T472 K564	Y464-E468 PolarHBondContact O-N 3.31Å; Y464-E468 VanDerWaalsContact O-N 3.07Å; H465-E468 PolarHBondContact O-N 3.46Å; E468-L471 PolarHBondContact O-N 2.98Å; E468-T472 VanDerWaalsContact O-CB 3.29Å; E468-T472 WeakPolarHBondContact O-CB 3.26Å; E468-T472 PolarHBondContact O-N 3.26Å; E468-T472 PolarHBondContact O-OG1 2.91Å; E468-K564 IonicContact OE1-NZ 3.85Å; E468-K564 PolarHBondContact OE1-NZ 3.35Å
469	D	89.5	Confident	87.5	Confident	95 Å²	95	57.5 Å²	57.5	51%	0.508	32%	0.321	S	S	.	.	H	α-helix	trans	-65.4	-44.8	174.2	-79.7	-13.8	0	0	0	111.9	H465 Y467 L471 T472 K473	H465-D469 WeakPolarHBondContact O-CB 3.4Å; H465-D469 PolarHBondContact O-N 2.9Å; Y467-D469 VanDerWaalsContact C-N 3.28Å; Y467-D469 PolarHBondContact O-N 3.49Å; D469-L471 VanDerWaalsContact C-N 3.31Å; D469-L471 PolarHBondContact O-N 3.41Å; D469-T472 PolarHBondContact O-N 3.41Å; D469-K473 WeakPolarHBondContact O-CB 3.47Å; D469-K473 VanDerWaalsContact O-CG 3.28Å; D469-K473 WeakPolarHBondContact O-CG 3.29Å; D469-K473 PolarHBondContact O-N 2.77Å
470	A	90.1	Very high	87.5	Confident	7 Å²	7	57 Å²	57	6%	0.058	32%	0.319	C	S	.	.	H	α-helix	trans	-61.6	-41.3	175.4	0	0	0	0	0	111.3	S466 Y467 K473 Y474 F483 D486 L490	S466-A470 WeakPolarHBondContact O-CB 3.35Å; S466-A470 PolarHBondContact O-N 3.46Å; Y467-A470 PolarHBondContact O-N 2.87Å; A470-K473 PolarHBondContact O-N 3.23Å; A470-Y474 WeakPolarHBondContact O-CB 3.28Å; A470-Y474 PolarHBondContact O-N 3.31Å; A470-F483 HydrophobicContact CB-CE2 4.4Å; A470-D486 HydrophobicContact CB-CB 4.32Å; A470-L490 HydrophobicContact CB-CD1 3.95Å
471	L	88.9	Confident	87.7	Confident	3 Å²	3	60.1 Å²	60.1	2%	0.016	35%	0.345	C	S	.	.	H	α-helix	trans	-67.2	-38.5	176.4	-167	117.3	0	0	0	111.8	Y467 E468 D469 Y474 K475 I537 A540	Y467-L471 WeakPolarHBondContact O-CB 3.46Å; Y467-L471 PolarHBondContact O-N 2.92Å; E468-L471 PolarHBondContact O-N 2.98Å; D469-L471 VanDerWaalsContact C-N 3.31Å; D469-L471 PolarHBondContact O-N 3.41Å; L471-Y474 PolarHBondContact O-N 3.4Å; L471-K475 HydrophobicContact CD2-CD 4.25Å; L471-K475 WeakPolarHBondContact O-CE 3.36Å; L471-K475 WeakPolarHBondContact O-CG 3.49Å; L471-K475 PolarHBondContact O-N 3Å; L471-I537 HydrophobicContact CD1-CB 4.46Å; L471-I537 HydrophobicContact CD1-CG1 3.99Å; L471-A540 HydrophobicContact CD1-CB 4.45Å
472	T	87.6	Confident	88	Confident	72 Å²	72	62.5 Å²	62.5	44%	0.442	35%	0.351	S	S	.	.	H	α-helix	trans	-68.3	-42.5	176.3	-60.7	0	0	0	0	111.5	E468 D469 Y474 K475 A476	E468-T472 VanDerWaalsContact O-CB 3.29Å; E468-T472 WeakPolarHBondContact O-CB 3.26Å; E468-T472 PolarHBondContact O-N 3.26Å; E468-T472 PolarHBondContact O-OG1 2.91Å; D469-T472 PolarHBondContact O-N 3.41Å; T472-Y474 VanDerWaalsContact C-N 3.33Å; T472-Y474 PolarHBondContact O-N 3.11Å; T472-K475 PolarHBondContact O-N 3.13Å; T472-A476 PolarHBondContact O-N 2.99Å
473	K	89.5	Confident	88.3	Confident	134 Å²	134	59.3 Å²	59.3	58%	0.583	33%	0.328	S	S	*	.	H	α-helix	trans	-60.9	-40.4	171.8	-75.8	172.2	-177	171.7	0	111.9	D469 A470 A476 S477	D469-K473 WeakPolarHBondContact O-CB 3.47Å; D469-K473 VanDerWaalsContact O-CG 3.28Å; D469-K473 WeakPolarHBondContact O-CG 3.29Å; D469-K473 PolarHBondContact O-N 2.77Å; A470-K473 PolarHBondContact O-N 3.23Å; K473-A476 PolarHBondContact O-N 3.12Å; K473-S477 VanDerWaalsContact O-CB 3.31Å; K473-S477 WeakPolarHBondContact O-CB 3.41Å; K473-S477 PolarHBondContact O-N 3.44Å; K473-S477 PolarHBondContact O-OG 3.34Å
474	Y	90.4	Very high	88.4	Confident	18 Å²	18	60.3 Å²	60.3	7%	0.071	34%	0.336	C	S	.	.	H	α-helix	trans	-63.1	-44.7	175.7	177.4	-132.2	0	0	0	112.1	A470 L471 T472 A476 K478 D479 F483 A540 E541 L544	A470-Y474 WeakPolarHBondContact O-CB 3.28Å; A470-Y474 PolarHBondContact O-N 3.31Å; L471-Y474 PolarHBondContact O-N 3.4Å; T472-Y474 VanDerWaalsContact C-N 3.33Å; T472-Y474 PolarHBondContact O-N 3.11Å; Y474-A476 VanDerWaalsContact C-N 3.29Å; Y474-A476 PolarHBondContact O-N 3.48Å; Y474-K478 WeakPolarHBondContact O-CA 3.42Å; Y474-K478 PolarHBondContact O-N 3.14Å; Y474-D479 WeakPolarHBondContact CD2-O 3.47Å; Y474-F483 HydrophobicContact CD1-CB 4.49Å; Y474-F483 AromaticContact CD1-CD1 3.91Å; Y474-F483 HydrophobicContact CD1-CD1 3.91Å; Y474-F483 HydrophobicContact CD1-CD2 4.24Å; Y474-F483 HydrophobicContact CD1-CE1 4.19Å; Y474-F483 HydrophobicContact CD1-CE2 4.49Å; Y474-F483 AromaticContact CD1-CG 3.94Å; Y474-F483 HydrophobicContact CD1-CG 3.94Å; Y474-F483 HydrophobicContact CD1-CZ 4.48Å; Y474-F483 HydrophobicContact CD2-CB 3.54Å; Y474-F483 HydrophobicContact CD2-CD1 4.3Å; Y474-F483 AromaticContact CD2-CG 3.89Å; Y474-F483 HydrophobicContact CD2-CG 3.89Å; Y474-F483 HydrophobicContact CE1-CD1 4.1Å; Y474-F483 HydrophobicContact CE1-CE1 4.4Å; Y474-F483 HydrophobicContact CE2-CB 4.17Å; Y474-F483 HydrophobicContact CE2-CG 4.5Å; Y474-F483 HydrophobicContact CG-CB 3.73Å; Y474-F483 HydrophobicContact CG-CD1 4Å; Y474-F483 AromaticContact CG-CD2 3.89Å; Y474-F483 HydrophobicContact CG-CD2 3.89Å; Y474-F483 AromaticContact CG-CG 3.58Å; Y474-F483 HydrophobicContact CG-CG 3.58Å; Y474-A540 HydrophobicContact CD1-CB 4.45Å; Y474-E541 HydrophobicContact CE1-CG 4.2Å; Y474-L544 HydrophobicContact CD1-CD1 3.98Å; Y474-L544 HydrophobicContact CD2-CD1 4.25Å; Y474-L544 HydrophobicContact CE1-CD1 3.45Å; Y474-L544 VanDerWaalsContact CE1-CD1 3.45Å; Y474-L544 HydrophobicContact CE2-CD1 3.72Å; Y474-L544 HydrophobicContact CG-CD1 4.36Å
475	K	85.6	Confident	88.7	Confident	58 Å²	58	64 Å²	64	25%	0.252	36%	0.359	S	S	.	.	H	α-helix	trans	-60.9	-36.9	175.6	-71.4	178.3	-60.6	-172.8	0	112.7	L471 T472 A540 Y553	L471-K475 HydrophobicContact CD2-CD 4.25Å; L471-K475 WeakPolarHBondContact O-CE 3.36Å; L471-K475 WeakPolarHBondContact O-CG 3.49Å; L471-K475 PolarHBondContact O-N 3Å; T472-K475 PolarHBondContact O-N 3.13Å; K475-A540 HydrophobicContact CD-CB 4.49Å; K475-A540 HydrophobicContact CG-CB 4.25Å; K475-Y553 WeakPolarHBondContact CD-OH 3.49Å; K475-Y553 PolarHBondContact NZ-OH 2.67Å
476	A	86.8	Confident	88.8	Confident	86 Å²	86	60.6 Å²	60.6	71%	0.711	35%	0.345	S	S	*	.	H	α-helix	trans	-78.7	-48.5	-179.2	0	0	0	0	0	113.1	T472 K473 Y474	T472-A476 PolarHBondContact O-N 2.99Å; K473-A476 PolarHBondContact O-N 3.12Å; Y474-A476 VanDerWaalsContact C-N 3.29Å; Y474-A476 PolarHBondContact O-N 3.48Å
477	S	88.1	Confident	88.8	Confident	70 Å²	70	61.6 Å²	61.6	49%	0.49	34%	0.342	S	S	.	.	H	α-helix	trans	-80.7	-26.7	-175.5	62.3	0	0	0	0	113.7	K473 D479	K473-S477 VanDerWaalsContact O-CB 3.31Å; K473-S477 WeakPolarHBondContact O-CB 3.41Å; K473-S477 PolarHBondContact O-N 3.44Å; K473-S477 PolarHBondContact O-OG 3.34Å; S477-D479 PolarHBondContact O-N 3.25Å; S477-D479 PolarHBondContact OG-N 3.47Å
478	K	85.6	Confident	89	Confident	157 Å²	157	69.7 Å²	69.7	68%	0.683	37%	0.372	S	S	*	.			trans	57.6	18.3	-168.9	-49.1	-175.3	178.2	175.6	0	114	Y474 S480 L544	Y474-K478 WeakPolarHBondContact O-CA 3.42Å; Y474-K478 PolarHBondContact O-N 3.14Å; K478-S480 PolarHBondContact O-N 2.9Å; K478-L544 HydrophobicContact CB-CD2 4.38Å; K478-L544 HydrophobicContact CD-CD2 4.19Å; K478-L544 HydrophobicContact CG-CD2 3.79Å
479	D	87.2	Confident	89.2	Confident	75 Å²	75	74.2 Å²	74.2	40%	0.401	39%	0.391	S	S	.	.			trans	-87.5	100.6	179.6	-171.7	-14.8	0	0	0	111	Y474 S477 A481 Q482 F483	Y474-D479 WeakPolarHBondContact CD2-O 3.47Å; S477-D479 PolarHBondContact O-N 3.25Å; S477-D479 PolarHBondContact OG-N 3.47Å; D479-A481 VanDerWaalsContact C-N 3.34Å; D479-A481 WeakPolarHBondContact OD1-CB 3.28Å; D479-A481 PolarHBondContact OD1-N 2.89Å; D479-Q482 HydrophobicContact CB-CB 4.11Å; D479-Q482 PolarHBondContact OD1-N 2.87Å; D479-F483 WeakPolarHBondContact O-CB 3.45Å; D479-F483 PolarHBondContact O-N 3.35Å
480	S	87.5	Confident	89.2	Confident	65 Å²	65	70.3 Å²	70.3	46%	0.455	37%	0.37	S	S	.	.	H	α-helix	trans	-69.9	-29.1	178.8	-175.4	0	0	0	0	113.1	K478 T484	K478-S480 PolarHBondContact O-N 2.9Å; S480-T484 WeakPolarHBondContact O-CB 3.46Å; S480-T484 PolarHBondContact O-N 3.06Å; S480-T484 PolarHBondContact O-OG1 3.1Å
481	A	89.1	Confident	89.2	Confident	68 Å²	68	72.4 Å²	72.4	56%	0.562	38%	0.379	S	S	*	.	H	α-helix	trans	-73.6	-43.4	-179	0	0	0	0	0	111	D479 T484 T485	D479-A481 VanDerWaalsContact C-N 3.34Å; D479-A481 WeakPolarHBondContact OD1-CB 3.28Å; D479-A481 PolarHBondContact OD1-N 2.89Å; A481-T484 PolarHBondContact O-N 3.3Å; A481-T485 PolarHBondContact O-N 3.08Å; A481-T485 PolarHBondContact O-OG1 3.41Å
482	Q	89.5	Confident	89.2	Confident	95 Å²	95	75 Å²	75	44%	0.444	40%	0.401	S	S	.	.	H	α-helix	trans	-63.6	-46.7	174.7	-174.2	59	40.2	0	0	111.1	D479 T484 T485 D486	D479-Q482 HydrophobicContact CB-CB 4.11Å; D479-Q482 PolarHBondContact OD1-N 2.87Å; Q482-T484 VanDerWaalsContact C-N 3.31Å; Q482-T484 PolarHBondContact O-N 2.98Å; Q482-T485 WeakPolarHBondContact O-CB 3.44Å; Q482-T485 PolarHBondContact O-N 3.47Å; Q482-D486 PolarHBondContact NE2-OD1 3.24Å; Q482-D486 PolarHBondContact O-N 3.16Å
483	F	90.5	Very high	89.3	Confident	6 Å²	6	75.7 Å²	75.7	3%	0.026	40%	0.399	C	S	.	.	H	α-helix	trans	-60.3	-39.9	178.5	-179.8	-110.5	0	0	0	112.7	A470 Y474 D479 T485 D486 R487 I537	A470-F483 HydrophobicContact CB-CE2 4.4Å; Y474-F483 HydrophobicContact CD1-CB 4.49Å; Y474-F483 AromaticContact CD1-CD1 3.91Å; Y474-F483 HydrophobicContact CD1-CD1 3.91Å; Y474-F483 HydrophobicContact CD1-CD2 4.24Å; Y474-F483 HydrophobicContact CD1-CE1 4.19Å; Y474-F483 HydrophobicContact CD1-CE2 4.49Å; Y474-F483 AromaticContact CD1-CG 3.94Å; Y474-F483 HydrophobicContact CD1-CG 3.94Å; Y474-F483 HydrophobicContact CD1-CZ 4.48Å; Y474-F483 HydrophobicContact CD2-CB 3.54Å; Y474-F483 HydrophobicContact CD2-CD1 4.3Å; Y474-F483 AromaticContact CD2-CG 3.89Å; Y474-F483 HydrophobicContact CD2-CG 3.89Å; Y474-F483 HydrophobicContact CE1-CD1 4.1Å; Y474-F483 HydrophobicContact CE1-CE1 4.4Å; Y474-F483 HydrophobicContact CE2-CB 4.17Å; Y474-F483 HydrophobicContact CE2-CG 4.5Å; Y474-F483 HydrophobicContact CG-CB 3.73Å; Y474-F483 HydrophobicContact CG-CD1 4Å; Y474-F483 AromaticContact CG-CD2 3.89Å; Y474-F483 HydrophobicContact CG-CD2 3.89Å; Y474-F483 AromaticContact CG-CG 3.58Å; Y474-F483 HydrophobicContact CG-CG 3.58Å; D479-F483 WeakPolarHBondContact O-CB 3.45Å; D479-F483 PolarHBondContact O-N 3.35Å; F483-T485 VanDerWaalsContact C-N 3.26Å; F483-T485 PolarHBondContact O-N 3.5Å; F483-D486 PolarHBondContact O-N 3.04Å; F483-R487 VanDerWaalsContact O-CB 3.25Å; F483-R487 WeakPolarHBondContact O-CB 3.46Å; F483-R487 PolarHBondContact O-N 3.41Å; F483-I537 HydrophobicContact CE1-CG2 3.8Å; F483-I537 HydrophobicContact CZ-CG1 4.11Å; F483-I537 HydrophobicContact CZ-CG2 4.12Å
484	T	90.2	Very high	89.3	Confident	42 Å²	42	70.1 Å²	70.1	26%	0.258	37%	0.374	S	S	.	.	H	α-helix	trans	-62.5	-36.1	176.3	-60.7	0	0	0	0	111.8	S480 A481 Q482 R488	S480-T484 WeakPolarHBondContact O-CB 3.46Å; S480-T484 PolarHBondContact O-N 3.06Å; S480-T484 PolarHBondContact O-OG1 3.1Å; A481-T484 PolarHBondContact O-N 3.3Å; Q482-T484 VanDerWaalsContact C-N 3.31Å; Q482-T484 PolarHBondContact O-N 2.98Å; T484-R488 WeakPolarHBondContact O-CG 3.4Å; T484-R488 PolarHBondContact O-N 2.99Å; T484-R488 VanDerWaalsContact O-N 3.15Å
485	T	91.8	Very high	89.2	Confident	84 Å²	84	75.6 Å²	75.6	52%	0.515	40%	0.399	S	S	.	.	H	α-helix	trans	-70.5	-48.8	177.5	-56	0	0	0	0	111.1	A481 Q482 F483 R487 R488 K489	A481-T485 PolarHBondContact O-N 3.08Å; A481-T485 PolarHBondContact O-OG1 3.41Å; Q482-T485 WeakPolarHBondContact O-CB 3.44Å; Q482-T485 PolarHBondContact O-N 3.47Å; F483-T485 VanDerWaalsContact C-N 3.26Å; F483-T485 PolarHBondContact O-N 3.5Å; T485-R487 VanDerWaalsContact C-N 3.3Å; T485-R487 PolarHBondContact O-N 3.28Å; T485-R488 PolarHBondContact O-N 3.13Å; T485-K489 PolarHBondContact O-N 3.11Å; T485-K489 VanDerWaalsContact O-N 3.13Å
486	D	91	Very high	89.5	Confident	42 Å²	42	75.4 Å²	75.4	23%	0.225	40%	0.404	C	S	.	.	H	α-helix	trans	-59.9	-42.1	177.2	-67.8	-15.8	0	0	0	110.9	A470 Q482 F483 R488 K489 L490	A470-D486 HydrophobicContact CB-CB 4.32Å; Q482-D486 PolarHBondContact NE2-OD1 3.24Å; Q482-D486 PolarHBondContact O-N 3.16Å; F483-D486 PolarHBondContact O-N 3.04Å; D486-R488 PolarHBondContact O-N 3.28Å; D486-K489 WeakPolarHBondContact O-CB 3.46Å; D486-K489 PolarHBondContact O-N 3.33Å; D486-L490 WeakPolarHBondContact O-CG 3.25Å; D486-L490 PolarHBondContact O-N 2.86Å
487	R	89.9	Confident	89.7	Confident	66 Å²	66	72.4 Å²	72.4	25%	0.249	38%	0.376	C	S	.	.	H	α-helix	trans	-60.6	-44.9	176.2	-171.5	179.5	76.3	173.9	0.8	112.3	F483 T485 K489 L490 E491	F483-R487 VanDerWaalsContact O-CB 3.25Å; F483-R487 WeakPolarHBondContact O-CB 3.46Å; F483-R487 PolarHBondContact O-N 3.41Å; T485-R487 VanDerWaalsContact C-N 3.3Å; T485-R487 PolarHBondContact O-N 3.28Å; R487-K489 VanDerWaalsContact C-N 3.28Å; R487-K489 PolarHBondContact O-N 3.25Å; R487-L490 PolarHBondContact O-N 3.44Å; R487-E491 HydrophobicContact CG-CG 4.4Å; R487-E491 IonicContact NE-OE1 2.64Å; R487-E491 WeakPolarHBondContact O-CB 3.22Å; R487-E491 WeakPolarHBondContact O-CG 3.29Å; R487-E491 PolarHBondContact O-N 3.12Å
488	R	91.4	Very high	89.7	Confident	177 Å²	177	70.5 Å²	70.5	67%	0.668	36%	0.361	S	S	*	.	H	α-helix	trans	-61.6	-38.3	177.4	-77.6	178	-175.6	176.3	3.4	111.8	T484 T485 D486 A492	T484-R488 WeakPolarHBondContact O-CG 3.4Å; T484-R488 PolarHBondContact O-N 2.99Å; T484-R488 VanDerWaalsContact O-N 3.15Å; T485-R488 PolarHBondContact O-N 3.13Å; D486-R488 PolarHBondContact O-N 3.28Å; R488-A492 PolarHBondContact O-N 3.15Å; R488-A492 VanDerWaalsContact O-N 3.11Å
489	K	91.9	Very high	90	Very high	139 Å²	139	69.3 Å²	69.3	60%	0.604	36%	0.358	S	S	*	.	H	α-helix	trans	-65.7	-49.6	176.8	-172.9	-176.3	175.1	-166.7	0	111.1	T485 D486 R487 E491 A492 E493	T485-K489 PolarHBondContact O-N 3.11Å; T485-K489 VanDerWaalsContact O-N 3.13Å; D486-K489 WeakPolarHBondContact O-CB 3.46Å; D486-K489 PolarHBondContact O-N 3.33Å; R487-K489 VanDerWaalsContact C-N 3.28Å; R487-K489 PolarHBondContact O-N 3.25Å; K489-E491 VanDerWaalsContact C-N 3.34Å; K489-E491 PolarHBondContact O-N 3.37Å; K489-A492 WeakPolarHBondContact O-CB 3.14Å; K489-A492 PolarHBondContact O-N 2.92Å; K489-A492 VanDerWaalsContact O-N 3.11Å; K489-E493 VanDerWaalsContact CE-OE1 3.25Å; K489-E493 WeakPolarHBondContact CE-OE1 3.48Å; K489-E493 PolarHBondContact O-N 3.41Å
490	L	90.6	Very high	90.2	Very high	13 Å²	13	70.3 Å²	70.3	7%	0.068	36%	0.36	C	S	.	.	H	α-helix	trans	-60.5	-41.9	177.1	-72.2	172.8	0	0	0	111.8	F463 Y467 A470 D486 R487 A492 E493 Y494	F463-L490 HydrophobicContact CD2-CD2 4.18Å; F463-L490 HydrophobicContact CE2-CB 3.93Å; F463-L490 HydrophobicContact CE2-CD2 4.3Å; F463-L490 VanDerWaalsContact CE2-O 3.27Å; F463-L490 WeakPolarHBondContact CE2-O 3.17Å; Y467-L490 HydrophobicContact CD2-CB 4.32Å; Y467-L490 HydrophobicContact CD2-CD1 3.86Å; Y467-L490 HydrophobicContact CE2-CD1 4.38Å; Y467-L490 HydrophobicContact CG-CD1 4.29Å; A470-L490 HydrophobicContact CB-CD1 3.95Å; D486-L490 WeakPolarHBondContact O-CG 3.25Å; D486-L490 PolarHBondContact O-N 2.86Å; R487-L490 PolarHBondContact O-N 3.44Å; L490-A492 VanDerWaalsContact C-N 3.29Å; L490-A492 PolarHBondContact O-N 3.26Å; L490-E493 PolarHBondContact O-N 3.46Å; L490-Y494 WeakPolarHBondContact O-CB 3.29Å; L490-Y494 PolarHBondContact O-N 3.46Å
491	E	89.1	Confident	90.2	Very high	51 Å²	51	67.6 Å²	67.6	24%	0.238	34%	0.34	C	S	.	.	H	α-helix	trans	-62.9	-33.4	175.3	-77.4	177.6	-179.9	0	0	113	R487 K489 K495	R487-E491 HydrophobicContact CG-CG 4.4Å; R487-E491 IonicContact NE-OE1 2.64Å; R487-E491 WeakPolarHBondContact O-CB 3.22Å; R487-E491 WeakPolarHBondContact O-CG 3.29Å; R487-E491 PolarHBondContact O-N 3.12Å; K489-E491 VanDerWaalsContact C-N 3.34Å; K489-E491 PolarHBondContact O-N 3.37Å; E491-K495 WeakPolarHBondContact O-CG 3.41Å; E491-K495 PolarHBondContact O-N 3.36Å; E491-K495 VanDerWaalsContact O-N 3.14Å
492	A	90.7	Very high	90.2	Very high	58 Å²	58	69.1 Å²	69.1	48%	0.479	34%	0.337	S	S	.	.	H	α-helix	trans	-71.1	-43.5	174.9	0	0	0	0	0	111.8	R488 K489 L490 K495 S496	R488-A492 PolarHBondContact O-N 3.15Å; R488-A492 VanDerWaalsContact O-N 3.11Å; K489-A492 WeakPolarHBondContact O-CB 3.14Å; K489-A492 PolarHBondContact O-N 2.92Å; K489-A492 VanDerWaalsContact O-N 3.11Å; L490-A492 VanDerWaalsContact C-N 3.29Å; L490-A492 PolarHBondContact O-N 3.26Å; A492-K495 PolarHBondContact O-N 3.16Å; A492-S496 PolarHBondContact O-N 3Å
493	E	88.9	Confident	90.2	Very high	86 Å²	86	67.3 Å²	67.3	40%	0.402	34%	0.335	S	S	.	.	H	α-helix	trans	-60.1	-45.2	174.9	-72.2	174.2	-170	0	0	111.3	K489 L490 K495 S496 L497	K489-E493 VanDerWaalsContact CE-OE1 3.25Å; K489-E493 WeakPolarHBondContact CE-OE1 3.48Å; K489-E493 PolarHBondContact O-N 3.41Å; L490-E493 PolarHBondContact O-N 3.46Å; E493-K495 PolarHBondContact O-N 3.41Å; E493-S496 WeakPolarHBondContact O-CB 3.29Å; E493-S496 PolarHBondContact O-N 3.22Å; E493-L497 WeakPolarHBondContact O-CB 3.41Å; E493-L497 PolarHBondContact O-N 2.91Å
494	Y	88.5	Confident	90.1	Very high	16 Å²	16	67.1 Å²	67.1	6%	0.063	33%	0.334	C	S	.	.	H	α-helix	trans	-57.6	-48	175.2	178.3	-101.8	0	0	0	112.6	F463 L490 S496 L497 N498 D526	F463-Y494 HydrophobicContact CD1-CD2 4.17Å; F463-Y494 AromaticContact CE1-CD2 3.64Å; F463-Y494 HydrophobicContact CE1-CD2 3.64Å; F463-Y494 HydrophobicContact CE1-CE2 4.36Å; F463-Y494 HydrophobicContact CE1-CG 4.34Å; F463-Y494 HydrophobicContact CE2-CD2 4.48Å; F463-Y494 AromaticContact CZ-CD2 3.83Å; F463-Y494 HydrophobicContact CZ-CD2 3.83Å; F463-Y494 HydrophobicContact CZ-CG 4.06Å; L490-Y494 WeakPolarHBondContact O-CB 3.29Å; L490-Y494 PolarHBondContact O-N 3.46Å; Y494-S496 VanDerWaalsContact C-N 3.33Å; Y494-S496 PolarHBondContact O-N 3.11Å; Y494-L497 PolarHBondContact O-N 3.42Å; Y494-N498 WeakPolarHBondContact CE1-ND2 3.33Å; Y494-N498 PolarHBondContact O-N 3Å; Y494-N498 PolarHBondContact OH-ND2 3.44Å; Y494-D526 WeakPolarHBondContact CE2-OD2 3.49Å; Y494-D526 VanDerWaalsContact CZ-OD2 3.27Å; Y494-D526 PolarHBondContact OH-OD2 2.95Å
495	K	90.1	Very high	90	Very high	134 Å²	134	66.1 Å²	66.1	58%	0.583	33%	0.327	S	S	*	.	H	α-helix	trans	-61.9	-41.6	177.5	-76.8	177.9	-178.1	-179.7	0	112	E491 A492 E493 Q499	E491-K495 WeakPolarHBondContact O-CG 3.41Å; E491-K495 PolarHBondContact O-N 3.36Å; E491-K495 VanDerWaalsContact O-N 3.14Å; A492-K495 PolarHBondContact O-N 3.16Å; E493-K495 PolarHBondContact O-N 3.41Å; K495-Q499 VanDerWaalsContact O-CG 3.32Å; K495-Q499 WeakPolarHBondContact O-CG 3.39Å; K495-Q499 PolarHBondContact O-N 3.22Å
496	S	91.3	Very high	89.8	Confident	53 Å²	53	67.8 Å²	67.8	37%	0.371	33%	0.332	S	S	.	.	H	α-helix	trans	-63.1	-43.9	176.5	-178.2	0	0	0	0	111.5	A492 E493 Y494 Q499 Q500	A492-S496 PolarHBondContact O-N 3Å; E493-S496 WeakPolarHBondContact O-CB 3.29Å; E493-S496 PolarHBondContact O-N 3.22Å; Y494-S496 VanDerWaalsContact C-N 3.33Å; Y494-S496 PolarHBondContact O-N 3.11Å; S496-Q499 PolarHBondContact O-N 3.4Å; S496-Q500 WeakPolarHBondContact O-CG 3.39Å; S496-Q500 PolarHBondContact O-N 3.11Å
497	L	89.8	Confident	89.6	Confident	23 Å²	23	70.5 Å²	70.5	12%	0.12	34%	0.342	C	S	.	.	H	α-helix	trans	-63.5	-44.3	179.5	-169.3	72.9	0	0	0	111.5	L456 C459 R460 E493 Y494 Q499 Q500 L501	L456-L497 HydrophobicContact CB-CD1 4.26Å; L456-L497 HydrophobicContact CD2-CD1 3.9Å; C459-L497 HydrophobicContact CB-CD1 4.07Å; R460-L497 HydrophobicContact CB-CD2 3.58Å; R460-L497 HydrophobicContact CG-CD2 3.69Å; E493-L497 WeakPolarHBondContact O-CB 3.41Å; E493-L497 PolarHBondContact O-N 2.91Å; Y494-L497 PolarHBondContact O-N 3.42Å; L497-Q499 VanDerWaalsContact C-N 3.32Å; L497-Q499 PolarHBondContact O-N 3.13Å; L497-Q500 PolarHBondContact O-N 3.37Å; L497-L501 WeakPolarHBondContact O-CB 3.45Å; L497-L501 PolarHBondContact O-N 3.26Å
498	N	89.2	Confident	89.4	Confident	31 Å²	31	67.5 Å²	67.5	17%	0.166	33%	0.331	C	S	.	.	H	α-helix	trans	-64.2	-36	176.3	-78.6	-3.9	0	0	0	112.5	Y494 L501 M502	Y494-N498 WeakPolarHBondContact CE1-ND2 3.33Å; Y494-N498 PolarHBondContact O-N 3Å; Y494-N498 PolarHBondContact OH-ND2 3.44Å; N498-L501 PolarHBondContact O-N 3.37Å; N498-M502 WeakPolarHBondContact O-CB 3.38Å; N498-M502 WeakPolarHBondContact O-CE 3.48Å; N498-M502 WeakPolarHBondContact O-CG 3.48Å; N498-M502 PolarHBondContact O-N 3.43Å
499	Q	91.2	Very high	88.9	Confident	131 Å²	131	60.5 Å²	60.5	61%	0.612	31%	0.314	S	S	*	.	H	α-helix	trans	-64	-42.1	173.6	-75.6	174.9	-8.4	0	0	112.3	K495 S496 L497 M502 S503	K495-Q499 VanDerWaalsContact O-CG 3.32Å; K495-Q499 WeakPolarHBondContact O-CG 3.39Å; K495-Q499 PolarHBondContact O-N 3.22Å; S496-Q499 PolarHBondContact O-N 3.4Å; L497-Q499 VanDerWaalsContact C-N 3.32Å; L497-Q499 PolarHBondContact O-N 3.13Å; Q499-M502 HydrophobicContact CG-CE 4.29Å; Q499-S503 PolarHBondContact O-N 2.91Å
500	Q	91.1	Very high	88.3	Confident	96 Å²	96	60.7 Å²	60.7	45%	0.449	32%	0.321	S	S	.	.	H	α-helix	trans	-65.3	-44.3	175.3	-69.1	175.8	16.1	0	0	111.2	L456 S496 L497 M502 S503 V504	L456-Q500 HydrophobicContact CD1-CB 3.95Å; L456-Q500 HydrophobicContact CD2-CB 4.06Å; S496-Q500 WeakPolarHBondContact O-CG 3.39Å; S496-Q500 PolarHBondContact O-N 3.11Å; L497-Q500 PolarHBondContact O-N 3.37Å; Q500-M502 PolarHBondContact O-N 3.11Å; Q500-S503 WeakPolarHBondContact O-CB 3.13Å; Q500-S503 PolarHBondContact O-N 3.22Å; Q500-V504 WeakPolarHBondContact O-CG2 3.45Å; Q500-V504 PolarHBondContact O-N 3.01Å
501	L	89.3	Confident	87.8	Confident	9 Å²	9	62.6 Å²	62.6	5%	0.047	33%	0.331	C	S	.	.	H	α-helix	trans	-62.6	-43.2	178.3	-168.4	67.2	0	0	0	111.8	L456 L457 L497 N498 S503 V504 Q505 L519	L456-L501 HydrophobicContact CB-CD1 4.34Å; L456-L501 HydrophobicContact CD1-CD1 4.48Å; L457-L501 HydrophobicContact CD2-CD1 4.29Å; L457-L501 HydrophobicContact CD2-CD2 3.97Å; L457-L501 HydrophobicContact CG-CD1 4.26Å; L497-L501 WeakPolarHBondContact O-CB 3.45Å; L497-L501 PolarHBondContact O-N 3.26Å; N498-L501 PolarHBondContact O-N 3.37Å; L501-S503 VanDerWaalsContact C-N 3.33Å; L501-S503 PolarHBondContact O-N 2.86Å; L501-V504 PolarHBondContact O-N 3.24Å; L501-Q505 VanDerWaalsContact O-CB 3.26Å; L501-Q505 WeakPolarHBondContact O-CB 3.33Å; L501-Q505 PolarHBondContact O-N 2.94Å; L501-L519 HydrophobicContact CD1-CD2 4.34Å
502	M	88.8	Confident	87.5	Confident	99 Å²	99	63 Å²	63	49%	0.488	33%	0.331	S	S	.	.	H	α-helix	trans	-61.7	-39.6	174.3	-77	-175.5	-73.6	0	0	112.1	N498 Q499 Q500 Q505 N506	N498-M502 WeakPolarHBondContact O-CB 3.38Å; N498-M502 WeakPolarHBondContact O-CE 3.48Å; N498-M502 WeakPolarHBondContact O-CG 3.48Å; N498-M502 PolarHBondContact O-N 3.43Å; Q499-M502 HydrophobicContact CG-CE 4.29Å; Q500-M502 PolarHBondContact O-N 3.11Å; M502-Q505 PolarHBondContact O-N 3Å; M502-N506 WeakPolarHBondContact O-CB 3.27Å; M502-N506 PolarHBondContact O-N 3.41Å; M502-N506 PolarHBondContact O-ND2 3.18Å
503	S	89.2	Confident	87.2	Confident	58 Å²	58	64.2 Å²	64.2	41%	0.406	33%	0.334	S	S	.	.	H	α-helix	trans	-62.7	-42.6	175.1	167.6	0	0	0	0	112	Q499 Q500 L501 K507	Q499-S503 PolarHBondContact O-N 2.91Å; Q500-S503 WeakPolarHBondContact O-CB 3.13Å; Q500-S503 PolarHBondContact O-N 3.22Å; L501-S503 VanDerWaalsContact C-N 3.33Å; L501-S503 PolarHBondContact O-N 2.86Å; S503-K507 WeakPolarHBondContact O-CG 3.39Å; S503-K507 PolarHBondContact O-N 3.47Å
504	V	88.3	Confident	86.9	Confident	1 Å²	1	65 Å²	65	1%	0.006	34%	0.341	C	S	.	.	H	α-helix	trans	-69.6	-42.7	176.9	176.8	0	0	0	0	111	E452 A453 L456 Q500 L501 N506 K507 I508	E452-V504 HydrophobicContact CG-CG2 3.9Å; A453-V504 HydrophobicContact CB-CG1 3.93Å; L456-V504 HydrophobicContact CD1-CG2 3.83Å; Q500-V504 WeakPolarHBondContact O-CG2 3.45Å; Q500-V504 PolarHBondContact O-N 3.01Å; L501-V504 PolarHBondContact O-N 3.24Å; V504-N506 VanDerWaalsContact C-N 3.33Å; V504-N506 PolarHBondContact O-N 3.19Å; V504-K507 WeakPolarHBondContact O-CB 3.49Å; V504-K507 PolarHBondContact O-N 3.29Å; V504-K507 VanDerWaalsContact O-N 3.07Å; V504-I508 HydrophobicContact CG1-CD1 3.79Å; V504-I508 HydrophobicContact CG1-CG1 4.29Å; V504-I508 WeakPolarHBondContact O-CG1 3.35Å; V504-I508 PolarHBondContact O-N 3.28Å
505	Q	88.3	Confident	86.7	Confident	22 Å²	22	64.3 Å²	64.3	10%	0.103	34%	0.338	C	S	.	.	H	α-helix	trans	-59.4	-41.4	177.4	-172.6	179.7	8.8	0	0	112.1	L501 M502 K507 I508 G509 V516 L519 N520	L501-Q505 VanDerWaalsContact O-CB 3.26Å; L501-Q505 WeakPolarHBondContact O-CB 3.33Å; L501-Q505 PolarHBondContact O-N 2.94Å; M502-Q505 PolarHBondContact O-N 3Å; Q505-K507 VanDerWaalsContact C-N 3.31Å; Q505-K507 PolarHBondContact O-N 2.6Å; Q505-I508 PolarHBondContact O-N 3.29Å; Q505-G509 PolarHBondContact O-N 3.41Å; Q505-V516 HydrophobicContact CG-CG1 4.03Å; Q505-V516 HydrophobicContact CG-CG2 4.46Å; Q505-V516 PolarHBondContact NE2-O 3.25Å; Q505-L519 HydrophobicContact CB-CD1 4.08Å; Q505-L519 HydrophobicContact CG-CB 4.3Å; Q505-L519 HydrophobicContact CG-CD1 3.98Å; Q505-N520 VanDerWaalsContact NE2-CG 3.34Å; Q505-N520 PolarHBondContact NE2-OD1 2.89Å
506	N	87.2	Confident	86.5	Confident	118 Å²	118	59.3 Å²	59.3	63%	0.631	32%	0.319	S	S	*	.	H	α-helix	trans	-60.7	-39.6	174.6	-72.7	-22	0	0	0	112	M502 V504 G509	M502-N506 WeakPolarHBondContact O-CB 3.27Å; M502-N506 PolarHBondContact O-N 3.41Å; M502-N506 PolarHBondContact O-ND2 3.18Å; V504-N506 VanDerWaalsContact C-N 3.33Å; V504-N506 PolarHBondContact O-N 3.19Å; N506-G509 PolarHBondContact O-N 3.25Å
507	K	86.4	Confident	86.3	Confident	100 Å²	100	61.5 Å²	61.5	44%	0.435	33%	0.327	S	S	.	.	H	α-helix	trans	-70.9	-34	176.1	-64.7	173.6	-173.9	175.4	0	112.5	L449 S503 V504 Q505	L449-K507 HydrophobicContact CD1-CB 3.96Å; L449-K507 HydrophobicContact CD2-CB 3.98Å; L449-K507 HydrophobicContact CD2-CD 3.94Å; S503-K507 WeakPolarHBondContact O-CG 3.39Å; S503-K507 PolarHBondContact O-N 3.47Å; V504-K507 WeakPolarHBondContact O-CB 3.49Å; V504-K507 PolarHBondContact O-N 3.29Å; V504-K507 VanDerWaalsContact O-N 3.07Å; Q505-K507 VanDerWaalsContact C-N 3.31Å; Q505-K507 PolarHBondContact O-N 2.6Å
508	I	85.6	Confident	86.2	Confident	3 Å²	3	62.7 Å²	62.7	2%	0.015	33%	0.331	C	S	.	.	H	α-helix	trans	-68.3	-37.1	176	-71.2	172.8	0	0	0	110.5	L449 A453 V504 Q505 D510 L511 Y512 V516 L519	L449-I508 HydrophobicContact CB-CD1 4.22Å; L449-I508 HydrophobicContact CB-CG1 3.67Å; L449-I508 HydrophobicContact CD1-CG1 4.27Å; A453-I508 HydrophobicContact CB-CD1 4.05Å; V504-I508 HydrophobicContact CG1-CD1 3.79Å; V504-I508 HydrophobicContact CG1-CG1 4.29Å; V504-I508 WeakPolarHBondContact O-CG1 3.35Å; V504-I508 PolarHBondContact O-N 3.28Å; Q505-I508 PolarHBondContact O-N 3.29Å; I508-D510 PolarHBondContact O-N 3.08Å; I508-L511 PolarHBondContact O-N 2.85Å; I508-Y512 HydrophobicContact CG2-CD1 4.36Å; I508-Y512 WeakPolarHBondContact CG2-O 3.32Å; I508-Y512 PolarHBondContact O-N 3.26Å; I508-V516 HydrophobicContact CG2-CG2 4.19Å; I508-L519 HydrophobicContact CD1-CD1 3.83Å
509	G	81.9	Confident	86.2	Confident	29 Å²	29	61.3 Å²	61.3	30%	0.299	32%	0.323	S	S	.	.	H	α-helix	trans	-59	-29.6	-177.9	0	0	0	0	0	114.9	Q505 N506 L511	Q505-G509 PolarHBondContact O-N 3.41Å; N506-G509 PolarHBondContact O-N 3.25Å; G509-L511 VanDerWaalsContact C-N 3.27Å; G509-L511 PolarHBondContact O-N 2.87Å
510	D	78.5	Confident	86.1	Confident	144 Å²	144	58.7 Å²	58.7	77%	0.77	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-20.9	176.4	-66.2	-25.5	0	0	0	113	I508	I508-D510 PolarHBondContact O-N 3.08Å
511	L	80.2	Confident	86.1	Confident	53 Å²	53	58.4 Å²	58.4	28%	0.277	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	-31.8	-167.1	-60.4	176.7	0	0	0	114.2	L442 R445 L449 I508 G509	L442-L511 HydrophobicContact CD1-CD2 3.41Å; L442-L511 VanDerWaalsContact CD1-CD2 3.41Å; L442-L511 HydrophobicContact CD2-CD2 4.47Å; L442-L511 HydrophobicContact CG-CD2 3.91Å; R445-L511 HydrophobicContact CB-CD1 4.36Å; L449-L511 HydrophobicContact CD1-CD1 3.85Å; I508-L511 PolarHBondContact O-N 2.85Å; G509-L511 VanDerWaalsContact C-N 3.27Å; G509-L511 PolarHBondContact O-N 2.87Å
512	Y	83.4	Confident	86.1	Confident	60 Å²	60	58 Å²	58	24%	0.235	31%	0.313	C	S	.	.			trans	-147.6	79.5	-174.3	-177.5	-130.4	0	0	0	111	T446 I508 D514 G515 K518	T446-Y512 HydrophobicContact CG2-CD1 4.34Å; T446-Y512 HydrophobicContact CG2-CG 4.07Å; I508-Y512 HydrophobicContact CG2-CD1 4.36Å; I508-Y512 WeakPolarHBondContact CG2-O 3.32Å; I508-Y512 PolarHBondContact O-N 3.26Å; Y512-D514 VanDerWaalsContact C-N 3.33Å; Y512-D514 HydrophobicContact CD2-CB 4.41Å; Y512-D514 HydrophobicContact CE2-CB 3.76Å; Y512-D514 PolarHBondContact O-N 3.47Å; Y512-G515 VanDerWaalsContact CD1-CA 3.43Å; Y512-G515 VanDerWaalsContact CE1-N 3.34Å; Y512-G515 PolarHBondContact O-N 3.45Å; Y512-K518 PolarHBondContact OH-NZ 3.07Å
513	P	82.9	Confident	86.1	Confident	82 Å²	82	55.4 Å²	55.4	53%	0.532	31%	0.305	S	S	.	.	H	α-helix	trans	-56.4	-41.8	-177.5	-25.4	34.4	0	0	0	113.5	G515 V516 D517	P513-G515 PolarHBondContact O-N 3.42Å; P513-G515 VanDerWaalsContact O-N 3.13Å; P513-V516 VanDerWaalsContact O-CB 3.28Å; P513-V516 WeakPolarHBondContact O-CB 3.49Å; P513-V516 PolarHBondContact O-N 2.95Å; P513-D517 PolarHBondContact O-N 3.34Å
514	D	84	Confident	86.2	Confident	103 Å²	103	58.4 Å²	58.4	55%	0.551	31%	0.312	S	S	*	.	H	α-helix	trans	-59.8	-27	178.7	-58	-9.3	0	0	0	112.8	Y512 K518	Y512-D514 VanDerWaalsContact C-N 3.33Å; Y512-D514 HydrophobicContact CD2-CB 4.41Å; Y512-D514 HydrophobicContact CE2-CB 3.76Å; Y512-D514 PolarHBondContact O-N 3.47Å; D514-K518 PolarHBondContact O-N 3.34Å
515	G	83.7	Confident	86.4	Confident	1 Å²	1	59 Å²	59	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-71.8	-30.5	175	0	0	0	0	0	112.7	Y512 P513 D517 L519	Y512-G515 VanDerWaalsContact CD1-CA 3.43Å; Y512-G515 VanDerWaalsContact CE1-N 3.34Å; Y512-G515 PolarHBondContact O-N 3.45Å; P513-G515 PolarHBondContact O-N 3.42Å; P513-G515 VanDerWaalsContact O-N 3.13Å; G515-D517 VanDerWaalsContact C-N 3.34Å; G515-L519 WeakPolarHBondContact O-CB 3.38Å; G515-L519 VanDerWaalsContact O-CG 3.29Å; G515-L519 WeakPolarHBondContact O-CG 3.42Å; G515-L519 PolarHBondContact O-N 2.97Å
516	V	86	Confident	86.4	Confident	30 Å²	30	58 Å²	58	18%	0.182	31%	0.311	C	S	.	.	H	α-helix	trans	-66.2	-40	176.2	-179.3	0	0	0	0	110.6	Q505 I508 P513 L519 N520	Q505-V516 HydrophobicContact CG-CG1 4.03Å; Q505-V516 HydrophobicContact CG-CG2 4.46Å; Q505-V516 PolarHBondContact NE2-O 3.25Å; I508-V516 HydrophobicContact CG2-CG2 4.19Å; P513-V516 VanDerWaalsContact O-CB 3.28Å; P513-V516 WeakPolarHBondContact O-CB 3.49Å; P513-V516 PolarHBondContact O-N 2.95Å; V516-L519 PolarHBondContact O-N 3.12Å; V516-N520 WeakPolarHBondContact O-CB 3.39Å; V516-N520 VanDerWaalsContact O-CG 3.3Å; V516-N520 PolarHBondContact O-N 3.32Å; V516-N520 PolarHBondContact O-ND2 2.96Å
517	D	87.5	Confident	86.6	Confident	98 Å²	98	55.8 Å²	55.8	52%	0.524	30%	0.296	S	S	.	.	H	α-helix	trans	-63	-47	177.9	-68.9	-23.8	0	0	0	111.2	P513 G515 L519 N520 D521	P513-D517 PolarHBondContact O-N 3.34Å; G515-D517 VanDerWaalsContact C-N 3.34Å; D517-L519 VanDerWaalsContact C-N 3.34Å; D517-L519 PolarHBondContact O-N 3.41Å; D517-N520 WeakPolarHBondContact O-CB 3.25Å; D517-N520 PolarHBondContact O-N 3.2Å; D517-N520 VanDerWaalsContact O-N 3.16Å; D517-D521 PolarHBondContact O-N 3.06Å
518	K	87.9	Confident	86.8	Confident	49 Å²	49	54.4 Å²	54.4	21%	0.213	29%	0.291	C	S	.	.	H	α-helix	trans	-61.1	-40.7	174.5	-70.4	175.3	-174.5	163.5	0	112.6	Y512 D514 N520 D521 I522 I574 C577 L578	Y512-K518 PolarHBondContact OH-NZ 3.07Å; D514-K518 PolarHBondContact O-N 3.34Å; K518-N520 VanDerWaalsContact C-N 3.34Å; K518-D521 PolarHBondContact O-N 3.15Å; K518-I522 WeakPolarHBondContact O-CB 3.43Å; K518-I522 VanDerWaalsContact O-CG1 3.29Å; K518-I522 WeakPolarHBondContact O-CG1 3.28Å; K518-I522 PolarHBondContact O-N 3.43Å; K518-I574 HydrophobicContact CB-CG2 3.78Å; K518-I574 HydrophobicContact CG-CG2 4.09Å; K518-C577 PolarHBondContact NZ-O 2.98Å; K518-L578 HydrophobicContact CB-CD1 3.57Å; K518-L578 HydrophobicContact CD-CD1 4.02Å; K518-L578 HydrophobicContact CG-CD1 4.47Å
519	L	88.4	Confident	87.1	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-66.2	-35.9	175.8	-73.8	175.3	0	0	0	112.2	A453 L457 L501 Q505 I508 G515 V516 D517 I522 S523 L578	A453-L519 HydrophobicContact CB-CD2 4.33Å; L457-L519 HydrophobicContact CD1-CD2 3.88Å; L501-L519 HydrophobicContact CD1-CD2 4.34Å; Q505-L519 HydrophobicContact CB-CD1 4.08Å; Q505-L519 HydrophobicContact CG-CB 4.3Å; Q505-L519 HydrophobicContact CG-CD1 3.98Å; I508-L519 HydrophobicContact CD1-CD1 3.83Å; G515-L519 WeakPolarHBondContact O-CB 3.38Å; G515-L519 VanDerWaalsContact O-CG 3.29Å; G515-L519 WeakPolarHBondContact O-CG 3.42Å; G515-L519 PolarHBondContact O-N 2.97Å; V516-L519 PolarHBondContact O-N 3.12Å; D517-L519 VanDerWaalsContact C-N 3.34Å; D517-L519 PolarHBondContact O-N 3.41Å; L519-I522 PolarHBondContact O-N 2.93Å; L519-S523 WeakPolarHBondContact O-CB 3.36Å; L519-S523 PolarHBondContact O-N 3.02Å; L519-L578 HydrophobicContact CD2-CD1 4.31Å; L519-L578 HydrophobicContact CD2-CD2 4.37Å; L519-L578 HydrophobicContact CG-CD1 4.14Å
520	N	89.8	Confident	87.4	Confident	77 Å²	77	56.8 Å²	56.8	41%	0.412	29%	0.291	S	S	.	.	H	α-helix	trans	-64.6	-43.5	173.3	-76.9	-33.4	0	0	0	111.6	Q505 V516 D517 K518 I522 S523 H524	Q505-N520 VanDerWaalsContact NE2-CG 3.34Å; Q505-N520 PolarHBondContact NE2-OD1 2.89Å; V516-N520 WeakPolarHBondContact O-CB 3.39Å; V516-N520 VanDerWaalsContact O-CG 3.3Å; V516-N520 PolarHBondContact O-N 3.32Å; V516-N520 PolarHBondContact O-ND2 2.96Å; D517-N520 WeakPolarHBondContact O-CB 3.25Å; D517-N520 PolarHBondContact O-N 3.2Å; D517-N520 VanDerWaalsContact O-N 3.16Å; K518-N520 VanDerWaalsContact C-N 3.34Å; N520-I522 VanDerWaalsContact C-N 3.32Å; N520-I522 PolarHBondContact O-N 3.37Å; N520-S523 WeakPolarHBondContact O-CB 3.4Å; N520-S523 PolarHBondContact O-N 3.34Å; N520-S523 VanDerWaalsContact O-N 3.15Å; N520-H524 PolarHBondContact O-N 3.4Å
521	D	90.5	Very high	88	Confident	90 Å²	90	54.1 Å²	54.1	48%	0.481	28%	0.277	S	S	.	.	H	α-helix	trans	-59.8	-44.9	175	-71.3	-20.4	0	0	0	111.1	D517 K518 S523 H524 L525 I574	D517-D521 PolarHBondContact O-N 3.06Å; K518-D521 PolarHBondContact O-N 3.15Å; D521-S523 VanDerWaalsContact C-N 3.32Å; D521-S523 PolarHBondContact O-N 2.86Å; D521-H524 PolarHBondContact O-N 2.9Å; D521-L525 WeakPolarHBondContact O-CG 3.44Å; D521-L525 PolarHBondContact O-N 2.9Å; D521-I574 HydrophobicContact CB-CD1 3.98Å
522	I	90	Very high	88.6	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.8	-35.5	175.7	-71.8	175.5	0	0	0	112	L457 R460 K518 L519 N520 D526 I571 I574	L457-I522 HydrophobicContact CD1-CD1 3.91Å; L457-I522 HydrophobicContact CD1-CG2 4.12Å; L457-I522 HydrophobicContact CD2-CG2 3.47Å; L457-I522 VanDerWaalsContact CD2-CG2 3.47Å; L457-I522 HydrophobicContact CG-CG2 4.45Å; R460-I522 PolarHBondContact NH1-O 2.83Å; R460-I522 PolarHBondContact NH2-O 3.06Å; R460-I522 VanDerWaalsContact NH2-O 3.12Å; K518-I522 WeakPolarHBondContact O-CB 3.43Å; K518-I522 VanDerWaalsContact O-CG1 3.29Å; K518-I522 WeakPolarHBondContact O-CG1 3.28Å; K518-I522 PolarHBondContact O-N 3.43Å; L519-I522 PolarHBondContact O-N 2.93Å; N520-I522 VanDerWaalsContact C-N 3.32Å; N520-I522 PolarHBondContact O-N 3.37Å; I522-D526 WeakPolarHBondContact O-CB 3.29Å; I522-D526 PolarHBondContact O-N 3.48Å; I522-I571 HydrophobicContact CG2-CG2 4.3Å; I522-I574 HydrophobicContact CD1-CB 4.02Å; I522-I574 HydrophobicContact CD1-CG2 3.69Å; I522-I574 HydrophobicContact CG1-CB 3.88Å; I522-I574 HydrophobicContact CG1-CD1 4.26Å; I522-I574 HydrophobicContact CG1-CG2 3.69Å
523	S	88.5	Confident	88.9	Confident	45 Å²	45	49.8 Å²	49.8	32%	0.315	26%	0.258	S	S	.	.	H	α-helix	trans	-70.9	-35.9	175.5	-172.7	0	0	0	0	112.1	L519 N520 D521 D526 Q527	L519-S523 WeakPolarHBondContact O-CB 3.36Å; L519-S523 PolarHBondContact O-N 3.02Å; N520-S523 WeakPolarHBondContact O-CB 3.4Å; N520-S523 PolarHBondContact O-N 3.34Å; N520-S523 VanDerWaalsContact O-N 3.15Å; D521-S523 VanDerWaalsContact C-N 3.32Å; D521-S523 PolarHBondContact O-N 2.86Å; S523-D526 PolarHBondContact O-N 3.47Å; S523-Q527 PolarHBondContact O-N 2.83Å; S523-Q527 VanDerWaalsContact O-N 3.08Å
524	H	91.4	Very high	89.2	Confident	121 Å²	121	48.4 Å²	48.4	56%	0.56	25%	0.245	S	C	*	.	H	α-helix	trans	-68.7	-44	175.8	178	-102.7	0	0	0	111.3	N520 D521 D526 Q527 Q528	N520-H524 PolarHBondContact O-N 3.4Å; D521-H524 PolarHBondContact O-N 2.9Å; H524-D526 VanDerWaalsContact C-N 3.3Å; H524-D526 PolarHBondContact O-N 3.25Å; H524-Q527 PolarHBondContact O-N 3.29Å; H524-Q528 PolarHBondContact CE1-NE2 3.03Å; H524-Q528 WeakPolarHBondContact O-CG 2.84Å; H524-Q528 PolarHBondContact O-N 3.04Å; H524-Q528 VanDerWaalsContact O-N 3.09Å
525	L	91.9	Very high	89.6	Confident	14 Å²	14	47.3 Å²	47.3	7%	0.073	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-37	173.6	-72.8	173.9	0	0	0	112.5	D521 Q528 Y529 I567 R570 I571 I574	D521-L525 WeakPolarHBondContact O-CG 3.44Å; D521-L525 PolarHBondContact O-N 2.9Å; L525-Q528 WeakPolarHBondContact O-CB 3.46Å; L525-Q528 PolarHBondContact O-N 3.3Å; L525-Y529 PolarHBondContact O-N 3.32Å; L525-I567 HydrophobicContact CB-CG2 4.16Å; L525-I567 WeakPolarHBondContact O-CG2 3.43Å; L525-R570 HydrophobicContact CD1-CB 3.75Å; L525-R570 HydrophobicContact CD2-CB 4.42Å; L525-I571 HydrophobicContact CB-CD1 4.15Å; L525-I571 HydrophobicContact CB-CG1 3.81Å; L525-I571 HydrophobicContact CD1-CG1 3.95Å; L525-I574 HydrophobicContact CD1-CD1 3.66Å
526	D	89.6	Confident	89.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.3	-42.4	174.6	179.5	70.1	0	0	0	113.3	R460 Y464 Y494 I522 S523 H524 Q528 Y529 R530	R460-D526 WeakPolarHBondContact CD-OD1 3.5Å; R460-D526 VanDerWaalsContact CZ-CB 3.41Å; R460-D526 IonicContact CZ-OD1 2.69Å; R460-D526 IonicContact NE-OD1 3.37Å; R460-D526 PolarHBondContact NE-OD1 3.25Å; R460-D526 IonicContact NH1-OD1 3.48Å; Y464-D526 WeakPolarHBondContact CE1-OD1 3.38Å; Y464-D526 PolarHBondContact OH-OD1 3.04Å; Y494-D526 WeakPolarHBondContact CE2-OD2 3.49Å; Y494-D526 VanDerWaalsContact CZ-OD2 3.27Å; Y494-D526 PolarHBondContact OH-OD2 2.95Å; I522-D526 WeakPolarHBondContact O-CB 3.29Å; I522-D526 PolarHBondContact O-N 3.48Å; S523-D526 PolarHBondContact O-N 3.47Å; H524-D526 VanDerWaalsContact C-N 3.3Å; H524-D526 PolarHBondContact O-N 3.25Å; D526-Q528 VanDerWaalsContact C-N 3.26Å; D526-Q528 PolarHBondContact O-N 2.62Å; D526-Y529 WeakPolarHBondContact O-CB 3.49Å; D526-Y529 PolarHBondContact O-N 3.45Å; D526-Y529 VanDerWaalsContact O-N 3.11Å; D526-R530 WeakPolarHBondContact O-CB 3.45Å; D526-R530 PolarHBondContact O-N 3.41Å
527	Q	89.7	Confident	90	Very high	71 Å²	71	46 Å²	46	33%	0.332	23%	0.228	S	C	.	.	H	α-helix	trans	-61.7	-39.1	175.1	-176.9	52.3	50	0	0	110.8	S523 H524 R530 D531	S523-Q527 PolarHBondContact O-N 2.83Å; S523-Q527 VanDerWaalsContact O-N 3.08Å; H524-Q527 PolarHBondContact O-N 3.29Å; Q527-R530 WeakPolarHBondContact O-CB 3.41Å; Q527-R530 PolarHBondContact O-N 3.41Å; Q527-D531 PolarHBondContact NE2-OD1 3.07Å; Q527-D531 VanDerWaalsContact O-CG 3.27Å; Q527-D531 PolarHBondContact O-N 2.8Å
528	Q	92.3	Very high	90.1	Very high	71 Å²	71	46.2 Å²	46.2	33%	0.332	23%	0.226	S	C	.	.	H	α-helix	trans	-62.7	-43.3	171.7	-67	-179.3	1	0	0	112.2	H524 L525 D526 R530 D531 L532 I567	H524-Q528 PolarHBondContact CE1-NE2 3.03Å; H524-Q528 WeakPolarHBondContact O-CG 2.84Å; H524-Q528 PolarHBondContact O-N 3.04Å; H524-Q528 VanDerWaalsContact O-N 3.09Å; L525-Q528 WeakPolarHBondContact O-CB 3.46Å; L525-Q528 PolarHBondContact O-N 3.3Å; D526-Q528 VanDerWaalsContact C-N 3.26Å; D526-Q528 PolarHBondContact O-N 2.62Å; Q528-R530 VanDerWaalsContact C-N 3.29Å; Q528-R530 PolarHBondContact O-N 2.86Å; Q528-D531 PolarHBondContact O-N 2.92Å; Q528-L532 WeakPolarHBondContact O-CG 3.48Å; Q528-L532 PolarHBondContact O-N 3.04Å; Q528-I567 HydrophobicContact CB-CD1 3.79Å
529	Y	91.6	Very high	90.1	Very high	8 Å²	8	44.6 Å²	44.6	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-59.9	-42.3	176.1	-165	-85.9	0	0	0	111.4	Y464 L525 D526 D531 L532 I533 K564 I567 I568	Y464-Y529 AromaticContact CD1-CD1 3.35Å; Y464-Y529 HydrophobicContact CD1-CD1 3.35Å; Y464-Y529 AromaticContact CD1-CE1 3.28Å; Y464-Y529 HydrophobicContact CD1-CE1 3.28Å; Y464-Y529 HydrophobicContact CD1-CG 4.21Å; Y464-Y529 HydrophobicContact CD2-CD1 4.32Å; Y464-Y529 HydrophobicContact CD2-CE1 4Å; Y464-Y529 HydrophobicContact CD2-CE2 4.25Å; Y464-Y529 AromaticContact CD2-CZ 3.96Å; Y464-Y529 AromaticContact CE1-CD1 3.34Å; Y464-Y529 HydrophobicContact CE1-CD1 3.34Å; Y464-Y529 AromaticContact CE1-CE1 3.8Å; Y464-Y529 HydrophobicContact CE1-CE1 3.8Å; Y464-Y529 AromaticContact CE1-CG 3.85Å; Y464-Y529 HydrophobicContact CE1-CG 3.85Å; Y464-Y529 HydrophobicContact CE2-CD1 4.29Å; Y464-Y529 HydrophobicContact CE2-CD2 4.32Å; Y464-Y529 HydrophobicContact CE2-CE1 4.41Å; Y464-Y529 HydrophobicContact CE2-CE2 4.43Å; Y464-Y529 HydrophobicContact CE2-CG 4.25Å; Y464-Y529 AromaticContact CG-CD1 3.87Å; Y464-Y529 HydrophobicContact CG-CD1 3.87Å; Y464-Y529 AromaticContact CG-CE1 3.4Å; Y464-Y529 HydrophobicContact CG-CE1 3.4Å; Y464-Y529 HydrophobicContact CG-CE2 4.43Å; Y464-Y529 AromaticContact CG-CZ 3.72Å; Y464-Y529 AromaticContact CZ-CD1 3.81Å; Y464-Y529 AromaticContact CZ-CG 3.84Å; L525-Y529 PolarHBondContact O-N 3.32Å; D526-Y529 WeakPolarHBondContact O-CB 3.49Å; D526-Y529 PolarHBondContact O-N 3.45Å; D526-Y529 VanDerWaalsContact O-N 3.11Å; Y529-D531 VanDerWaalsContact C-N 3.32Å; Y529-D531 PolarHBondContact O-N 3.07Å; Y529-L532 WeakPolarHBondContact O-CB 3.45Å; Y529-L532 PolarHBondContact O-N 3.21Å; Y529-I533 HydrophobicContact CD1-CD1 3.67Å; Y529-I533 HydrophobicContact CD1-CG1 3.84Å; Y529-I533 HydrophobicContact CE1-CD1 3.64Å; Y529-I533 HydrophobicContact CE1-CG1 3.73Å; Y529-I533 WeakPolarHBondContact O-CG1 3.36Å; Y529-I533 PolarHBondContact O-N 3.34Å; Y529-K564 HydrophobicContact CD2-CB 4.29Å; Y529-K564 HydrophobicContact CD2-CG 4.19Å; Y529-K564 HydrophobicContact CE2-CB 3.58Å; Y529-K564 HydrophobicContact CE2-CD 4.31Å; Y529-K564 HydrophobicContact CE2-CG 3.69Å; Y529-I567 HydrophobicContact CD2-CB 4.25Å; Y529-I567 HydrophobicContact CD2-CG2 3.98Å; Y529-I568 HydrophobicContact CD2-CG1 4.34Å; Y529-I568 HydrophobicContact CE2-CD1 3.77Å; Y529-I568 HydrophobicContact CE2-CG1 3.81Å
530	R	88.4	Confident	90.1	Very high	75 Å²	75	44.6 Å²	44.6	28%	0.283	22%	0.219	S	C	.	.	H	α-helix	trans	-63	-37.1	177	-177.7	172.1	177.5	-101	-9.3	112.5	D526 Q527 Q528 I533 Q534	D526-R530 WeakPolarHBondContact O-CB 3.45Å; D526-R530 PolarHBondContact O-N 3.41Å; Q527-R530 WeakPolarHBondContact O-CB 3.41Å; Q527-R530 PolarHBondContact O-N 3.41Å; Q528-R530 VanDerWaalsContact C-N 3.29Å; Q528-R530 PolarHBondContact O-N 2.86Å; R530-I533 WeakPolarHBondContact O-CB 3.47Å; R530-I533 PolarHBondContact O-N 3.22Å; R530-Q534 WeakPolarHBondContact O-CG 3.46Å; R530-Q534 PolarHBondContact O-N 3.11Å
531	D	91.3	Very high	90	Very high	88 Å²	88	44.5 Å²	44.5	47%	0.471	22%	0.217	S	C	.	.	H	α-helix	trans	-67.3	-39.6	175.3	-65.3	-23.5	0	0	0	111.1	Q527 Q528 Y529 I533 Q534 E535	Q527-D531 PolarHBondContact NE2-OD1 3.07Å; Q527-D531 VanDerWaalsContact O-CG 3.27Å; Q527-D531 PolarHBondContact O-N 2.8Å; Q528-D531 PolarHBondContact O-N 2.92Å; Y529-D531 VanDerWaalsContact C-N 3.32Å; Y529-D531 PolarHBondContact O-N 3.07Å; D531-I533 VanDerWaalsContact C-N 3.33Å; D531-I533 PolarHBondContact O-N 3.09Å; D531-Q534 PolarHBondContact O-N 3.49Å; D531-E535 PolarHBondContact O-N 3.06Å
532	L	92	Very high	89.9	Confident	19 Å²	19	44.8 Å²	44.8	10%	0.099	21%	0.213	C	C	.	.	H	α-helix	trans	-65.2	-34.4	171.9	-63.7	-179.5	0	0	0	112.8	Q528 Y529 E535 G536 L560 K563 K564 I567	Q528-L532 WeakPolarHBondContact O-CG 3.48Å; Q528-L532 PolarHBondContact O-N 3.04Å; Y529-L532 WeakPolarHBondContact O-CB 3.45Å; Y529-L532 PolarHBondContact O-N 3.21Å; L532-E535 PolarHBondContact O-N 3.08Å; L532-G536 PolarHBondContact O-N 3.4Å; L532-L560 HydrophobicContact CB-CD2 3.65Å; L532-L560 HydrophobicContact CD2-CD2 3.68Å; L532-L560 HydrophobicContact CG-CD2 4.17Å; L532-L560 VanDerWaalsContact O-CD2 3.3Å; L532-L560 WeakPolarHBondContact O-CD2 3.42Å; L532-K563 HydrophobicContact CD1-CB 3.63Å; L532-K563 HydrophobicContact CD2-CB 4.32Å; L532-K563 HydrophobicContact CD2-CD 4.16Å; L532-K564 HydrophobicContact CB-CG 4.06Å; L532-K564 HydrophobicContact CD1-CG 3.81Å; L532-I567 HydrophobicContact CD1-CD1 3.55Å; L532-I567 HydrophobicContact CG-CD1 4.46Å
533	I	89.1	Confident	89.7	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.015	23%	0.225	C	C	.	.	H	α-helix	trans	-59.3	-51.2	170.9	-74.7	177.4	0	0	0	109.7	F463 Y467 Y529 R530 D531 E535 G536 I537	F463-I533 HydrophobicContact CE1-CD1 4.36Å; Y467-I533 HydrophobicContact CD1-CB 4.43Å; Y467-I533 HydrophobicContact CD1-CD1 4.32Å; Y467-I533 HydrophobicContact CD1-CG1 4.37Å; Y467-I533 HydrophobicContact CD1-CG2 3.28Å; Y467-I533 HydrophobicContact CD2-CD1 4.14Å; Y467-I533 HydrophobicContact CD2-CG2 3.93Å; Y467-I533 HydrophobicContact CE1-CB 4.42Å; Y467-I533 HydrophobicContact CE1-CG2 3Å; Y467-I533 HydrophobicContact CE2-CG2 3.66Å; Y467-I533 HydrophobicContact CG-CD1 3.91Å; Y467-I533 HydrophobicContact CG-CG1 4.45Å; Y467-I533 HydrophobicContact CG-CG2 3.76Å; Y529-I533 HydrophobicContact CD1-CD1 3.67Å; Y529-I533 HydrophobicContact CD1-CG1 3.84Å; Y529-I533 HydrophobicContact CE1-CD1 3.64Å; Y529-I533 HydrophobicContact CE1-CG1 3.73Å; Y529-I533 WeakPolarHBondContact O-CG1 3.36Å; Y529-I533 PolarHBondContact O-N 3.34Å; R530-I533 WeakPolarHBondContact O-CB 3.47Å; R530-I533 PolarHBondContact O-N 3.22Å; D531-I533 VanDerWaalsContact C-N 3.33Å; D531-I533 PolarHBondContact O-N 3.09Å; I533-E535 VanDerWaalsContact C-N 3.31Å; I533-E535 PolarHBondContact O-N 3.43Å; I533-G536 WeakPolarHBondContact O-CA 3.44Å; I533-G536 PolarHBondContact O-N 3Å; I533-I537 HydrophobicContact CG2-CD1 4.39Å; I533-I537 WeakPolarHBondContact O-CG1 3.4Å; I533-I537 PolarHBondContact O-N 3.01Å
534	Q	89.7	Confident	89.5	Confident	53 Å²	53	47.4 Å²	47.4	25%	0.248	22%	0.224	C	C	.	.	H	α-helix	trans	-59.9	-40.8	179.9	-70.4	-73.3	-18.9	0	0	111.8	R530 D531 G536 I537 Q538	R530-Q534 WeakPolarHBondContact O-CG 3.46Å; R530-Q534 PolarHBondContact O-N 3.11Å; D531-Q534 PolarHBondContact O-N 3.49Å; Q534-G536 VanDerWaalsContact C-N 3.34Å; Q534-G536 PolarHBondContact O-N 3.33Å; Q534-I537 WeakPolarHBondContact O-CB 3.32Å; Q534-I537 PolarHBondContact O-N 3.43Å; Q534-Q538 WeakPolarHBondContact O-CG 3.45Å; Q534-Q538 PolarHBondContact O-N 2.95Å; Q534-Q538 VanDerWaalsContact O-N 3.1Å
535	E	91.5	Very high	89.3	Confident	80 Å²	80	46.1 Å²	46.1	37%	0.374	22%	0.224	S	C	.	.	H	α-helix	trans	-60.8	-43	173.2	-166.1	-177.6	169.9	0	0	111.7	D531 L532 I533 I537 Q538 L539 L560	D531-E535 PolarHBondContact O-N 3.06Å; L532-E535 PolarHBondContact O-N 3.08Å; I533-E535 VanDerWaalsContact C-N 3.31Å; I533-E535 PolarHBondContact O-N 3.43Å; E535-I537 VanDerWaalsContact C-N 3.34Å; E535-I537 PolarHBondContact O-N 3.27Å; E535-Q538 PolarHBondContact O-N 3.06Å; E535-L539 WeakPolarHBondContact O-CG 3.39Å; E535-L539 PolarHBondContact O-N 3.03Å; E535-L560 HydrophobicContact CB-CD1 4.35Å; E535-L560 HydrophobicContact CB-CD2 4.19Å; E535-L560 HydrophobicContact CG-CD1 4.04Å; E535-L560 HydrophobicContact CG-CD2 4.47Å
536	G	89.8	Confident	88.8	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-59.9	-38.9	175	0	0	0	0	0	113.7	L532 I533 Q534 L539 A540	L532-G536 PolarHBondContact O-N 3.4Å; I533-G536 WeakPolarHBondContact O-CA 3.44Å; I533-G536 PolarHBondContact O-N 3Å; Q534-G536 VanDerWaalsContact C-N 3.34Å; Q534-G536 PolarHBondContact O-N 3.33Å; G536-L539 PolarHBondContact O-N 3.21Å; G536-A540 WeakPolarHBondContact O-CB 3.33Å; G536-A540 PolarHBondContact O-N 3.38Å
537	I	88.3	Confident	88.6	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-63.2	-48.6	173.9	-56.5	163.1	0	0	0	110.5	Y467 L471 F483 I533 Q534 E535 L539 A540 E541	Y467-I537 HydrophobicContact CE1-CD1 4.06Å; Y467-I537 HydrophobicContact CE1-CG1 3.94Å; Y467-I537 WeakPolarHBondContact OH-CD1 3.41Å; L471-I537 HydrophobicContact CD1-CB 4.46Å; L471-I537 HydrophobicContact CD1-CG1 3.99Å; F483-I537 HydrophobicContact CE1-CG2 3.8Å; F483-I537 HydrophobicContact CZ-CG1 4.11Å; F483-I537 HydrophobicContact CZ-CG2 4.12Å; I533-I537 HydrophobicContact CG2-CD1 4.39Å; I533-I537 WeakPolarHBondContact O-CG1 3.4Å; I533-I537 PolarHBondContact O-N 3.01Å; Q534-I537 WeakPolarHBondContact O-CB 3.32Å; Q534-I537 PolarHBondContact O-N 3.43Å; E535-I537 VanDerWaalsContact C-N 3.34Å; E535-I537 PolarHBondContact O-N 3.27Å; I537-L539 VanDerWaalsContact C-N 3.28Å; I537-L539 PolarHBondContact O-N 2.71Å; I537-A540 WeakPolarHBondContact O-CB 3.49Å; I537-A540 PolarHBondContact O-N 3.21Å; I537-A540 VanDerWaalsContact O-N 3.11Å; I537-E541 HydrophobicContact CG2-CG 4.31Å; I537-E541 WeakPolarHBondContact O-CG 3.37Å; I537-E541 PolarHBondContact O-N 3.2Å
538	Q	89.7	Confident	88.4	Confident	102 Å²	102	54.9 Å²	54.9	48%	0.477	28%	0.28	S	S	.	.	H	α-helix	trans	-61.7	-38	-178.7	-69.4	-179.9	12.5	0	0	111.7	Q534 E535 K542	Q534-Q538 WeakPolarHBondContact O-CG 3.45Å; Q534-Q538 PolarHBondContact O-N 2.95Å; Q534-Q538 VanDerWaalsContact O-N 3.1Å; E535-Q538 PolarHBondContact O-N 3.06Å; Q538-K542 WeakPolarHBondContact O-CB 3.5Å; Q538-K542 VanDerWaalsContact O-CG 3.25Å; Q538-K542 WeakPolarHBondContact O-CG 3.49Å; Q538-K542 PolarHBondContact O-N 2.77Å
539	L	89.1	Confident	88.1	Confident	16 Å²	16	55.2 Å²	55.2	8%	0.084	29%	0.287	C	S	.	.	H	α-helix	trans	-66.1	-42.2	173.7	-71.4	177.7	0	0	0	112.1	E535 G536 I537 K542 L543 L548 Y553 L560	E535-L539 WeakPolarHBondContact O-CG 3.39Å; E535-L539 PolarHBondContact O-N 3.03Å; G536-L539 PolarHBondContact O-N 3.21Å; I537-L539 VanDerWaalsContact C-N 3.28Å; I537-L539 PolarHBondContact O-N 2.71Å; L539-K542 PolarHBondContact O-N 2.84Å; L539-L543 WeakPolarHBondContact O-CB 3.31Å; L539-L543 PolarHBondContact O-N 3.01Å; L539-L548 HydrophobicContact CD2-CD2 3.95Å; L539-Y553 HydrophobicContact CB-CD2 4.09Å; L539-Y553 HydrophobicContact CB-CE2 3.96Å; L539-L560 HydrophobicContact CD1-CD1 3.24Å; L539-L560 HydrophobicContact CG-CD1 4.43Å
540	A	87.3	Confident	87.9	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.9	-41.6	175.8	0	0	0	0	0	111.8	L471 Y474 K475 G536 I537 L543 L544	L471-A540 HydrophobicContact CD1-CB 4.45Å; Y474-A540 HydrophobicContact CD1-CB 4.45Å; K475-A540 HydrophobicContact CD-CB 4.49Å; K475-A540 HydrophobicContact CG-CB 4.25Å; G536-A540 WeakPolarHBondContact O-CB 3.33Å; G536-A540 PolarHBondContact O-N 3.38Å; I537-A540 WeakPolarHBondContact O-CB 3.49Å; I537-A540 PolarHBondContact O-N 3.21Å; I537-A540 VanDerWaalsContact O-N 3.11Å; A540-L543 PolarHBondContact O-N 3.3Å; A540-L544 WeakPolarHBondContact O-CB 3.47Å; A540-L544 VanDerWaalsContact O-CG 3.31Å; A540-L544 WeakPolarHBondContact O-CG 3.44Å; A540-L544 PolarHBondContact O-N 2.69Å
541	E	87.9	Confident	87.8	Confident	76 Å²	76	63.2 Å²	63.2	36%	0.355	34%	0.337	S	S	.	.	H	α-helix	trans	-65.2	-41.7	174.4	-72.2	179.3	174	0	0	112.5	Y474 I537 L543 L544 T545	Y474-E541 HydrophobicContact CE1-CG 4.2Å; I537-E541 HydrophobicContact CG2-CG 4.31Å; I537-E541 WeakPolarHBondContact O-CG 3.37Å; I537-E541 PolarHBondContact O-N 3.2Å; E541-L543 VanDerWaalsContact C-N 3.34Å; E541-L544 PolarHBondContact O-N 3.39Å; E541-T545 WeakPolarHBondContact O-CB 3.3Å; E541-T545 WeakPolarHBondContact O-CG2 3.31Å; E541-T545 PolarHBondContact O-N 3.41Å; E541-T545 PolarHBondContact O-OG1 3.29Å
542	K	88.4	Confident	87.6	Confident	95 Å²	95	64 Å²	64	41%	0.413	34%	0.338	S	S	.	.	H	α-helix	trans	-64.1	-37.3	174.6	-75	173.7	-176.2	172.8	0	112.3	Q538 L539 T545 G546 K547 L548	Q538-K542 WeakPolarHBondContact O-CB 3.5Å; Q538-K542 VanDerWaalsContact O-CG 3.25Å; Q538-K542 WeakPolarHBondContact O-CG 3.49Å; Q538-K542 PolarHBondContact O-N 2.77Å; L539-K542 PolarHBondContact O-N 2.84Å; K542-T545 WeakPolarHBondContact CA-OG1 3.42Å; K542-T545 PolarHBondContact O-OG1 3Å; K542-G546 PolarHBondContact O-N 3.32Å; K542-K547 HydrophobicContact CB-CB 4.39Å; K542-K547 PolarHBondContact O-N 3.03Å; K542-L548 HydrophobicContact CB-CB 4.04Å; K542-L548 PolarHBondContact O-N 3.3Å
543	L	86.8	Confident	87.5	Confident	45 Å²	45	64.1 Å²	64.1	24%	0.236	34%	0.338	C	S	.	.	H	α-helix	trans	-64.3	-47.8	173.2	178.1	69.8	0	0	0	111.3	L539 A540 E541 G546 K550 Y553	L539-L543 WeakPolarHBondContact O-CB 3.31Å; L539-L543 PolarHBondContact O-N 3.01Å; A540-L543 PolarHBondContact O-N 3.3Å; E541-L543 VanDerWaalsContact C-N 3.34Å; L543-G546 PolarHBondContact O-N 3.47Å; L543-K550 HydrophobicContact CD1-CG 4.26Å; L543-Y553 HydrophobicContact CB-CD2 3.95Å; L543-Y553 HydrophobicContact CB-CE2 4.49Å; L543-Y553 HydrophobicContact CB-CG 4.29Å; L543-Y553 HydrophobicContact CD1-CG 4.16Å; L543-Y553 HydrophobicContact CD2-CD1 3.81Å; L543-Y553 HydrophobicContact CD2-CD2 3.99Å; L543-Y553 HydrophobicContact CD2-CE1 4Å; L543-Y553 HydrophobicContact CD2-CE2 4.19Å; L543-Y553 HydrophobicContact CD2-CG 3.81Å; L543-Y553 HydrophobicContact CG-CD2 4.42Å; L543-Y553 HydrophobicContact CG-CG 4.31Å
544	L	84.7	Confident	87.5	Confident	56 Å²	56	69.7 Å²	69.7	29%	0.293	36%	0.364	S	S	.	.	H	α-helix	trans	-69.3	-32.5	-177.9	-71.8	171.8	0	0	0	113.1	Y474 K478 A540 E541 G546	Y474-L544 HydrophobicContact CD1-CD1 3.98Å; Y474-L544 HydrophobicContact CD2-CD1 4.25Å; Y474-L544 HydrophobicContact CE1-CD1 3.45Å; Y474-L544 VanDerWaalsContact CE1-CD1 3.45Å; Y474-L544 HydrophobicContact CE2-CD1 3.72Å; Y474-L544 HydrophobicContact CG-CD1 4.36Å; K478-L544 HydrophobicContact CB-CD2 4.38Å; K478-L544 HydrophobicContact CD-CD2 4.19Å; K478-L544 HydrophobicContact CG-CD2 3.79Å; A540-L544 WeakPolarHBondContact O-CB 3.47Å; A540-L544 VanDerWaalsContact O-CG 3.31Å; A540-L544 WeakPolarHBondContact O-CG 3.44Å; A540-L544 PolarHBondContact O-N 2.69Å; E541-L544 PolarHBondContact O-N 3.39Å; L544-G546 VanDerWaalsContact C-N 3.26Å; L544-G546 PolarHBondContact O-N 2.82Å
545	T	85.6	Confident	87.5	Confident	94 Å²	94	71.1 Å²	71.1	58%	0.577	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	0.6	174.4	54.7	0	0	0	0	113.7	E541 K542 K547	E541-T545 WeakPolarHBondContact O-CB 3.3Å; E541-T545 WeakPolarHBondContact O-CG2 3.31Å; E541-T545 PolarHBondContact O-N 3.41Å; E541-T545 PolarHBondContact O-OG1 3.29Å; K542-T545 WeakPolarHBondContact CA-OG1 3.42Å; K542-T545 PolarHBondContact O-OG1 3Å; T545-K547 PolarHBondContact O-N 3.39Å
546	G	81.2	Confident	87.4	Confident	62 Å²	62	69.6 Å²	69.6	64%	0.639	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	9.2	179	0	0	0	0	0	115	K542 L543 L544 L548	K542-G546 PolarHBondContact O-N 3.32Å; L543-G546 PolarHBondContact O-N 3.47Å; L544-G546 VanDerWaalsContact C-N 3.26Å; L544-G546 PolarHBondContact O-N 2.82Å; G546-L548 VanDerWaalsContact C-N 3.25Å; G546-L548 PolarHBondContact O-N 3.25Å
547	K	86.1	Confident	87.4	Confident	172 Å²	172	71 Å²	71	75%	0.748	38%	0.384	S	S	*	.	S	Bend	trans	-77	-9.8	178.2	-67.3	-178.3	179	177.6	0	113.4	K542 T545	K542-K547 HydrophobicContact CB-CB 4.39Å; K542-K547 PolarHBondContact O-N 3.03Å; T545-K547 PolarHBondContact O-N 3.39Å
548	L	85	Confident	87.4	Confident	34 Å²	34	75.1 Å²	75.1	18%	0.178	41%	0.407	C	S	.	.	S	Bend	trans	-134.7	133.8	-178.5	-163.6	73.2	0	0	0	109.7	L539 K542 G546 Q552 Y553	L539-L548 HydrophobicContact CD2-CD2 3.95Å; K542-L548 HydrophobicContact CB-CB 4.04Å; K542-L548 PolarHBondContact O-N 3.3Å; G546-L548 VanDerWaalsContact C-N 3.25Å; G546-L548 PolarHBondContact O-N 3.25Å; L548-Q552 HydrophobicContact CD1-CB 3.7Å; L548-Q552 HydrophobicContact CG-CB 3.88Å; L548-Y553 HydrophobicContact CD2-CD2 4.17Å; L548-Y553 HydrophobicContact CD2-CG 4.48Å
549	T	87.1	Confident	87.5	Confident	78 Å²	78	74 Å²	74	48%	0.479	40%	0.404	S	S	.	.			trans	-72.4	155	175.1	62.7	0	0	0	0	111	A551 Q552 Y553	T549-A551 PolarHBondContact O-N 2.95Å; T549-Q552 VanDerWaalsContact N-OE1 3.12Å; T549-Q552 PolarHBondContact O-N 3.49Å; T549-Q552 WeakPolarHBondContact OG1-CB 3.42Å; T549-Q552 WeakPolarHBondContact OG1-CG 3.39Å; T549-Q552 PolarHBondContact OG1-N 3.2Å; T549-Q552 PolarHBondContact OG1-OE1 2.88Å; T549-Y553 PolarHBondContact O-N 3.5Å
550	K	86.8	Confident	87.6	Confident	178 Å²	178	73.3 Å²	73.3	77%	0.774	40%	0.4	S	S	*	.	H	α-helix	trans	-55.3	-38.5	177	-72.6	-173.8	179	-178.3	0	112.7	L543 Y553 Q554	L543-K550 HydrophobicContact CD1-CG 4.26Å; K550-Y553 PolarHBondContact O-N 2.94Å; K550-Q554 WeakPolarHBondContact O-CB 3.32Å; K550-Q554 PolarHBondContact O-N 3.4Å
551	A	86.8	Confident	87.7	Confident	73 Å²	73	76 Å²	76	60%	0.603	42%	0.419	S	S	*	.	H	α-helix	trans	-68.3	-42.5	179	0	0	0	0	0	112.4	T549 Q554 S555	T549-A551 PolarHBondContact O-N 2.95Å; A551-Q554 PolarHBondContact O-N 2.9Å; A551-S555 PolarHBondContact O-N 2.95Å; A551-S555 VanDerWaalsContact O-N 3.11Å
552	Q	87.8	Confident	87.9	Confident	104 Å²	104	76.1 Å²	76.1	49%	0.486	43%	0.428	S	S	.	.	H	α-helix	trans	-65.1	-41.8	174.6	-73.3	165.8	-31.8	0	0	111.5	L548 T549 Q554 S555 S556	L548-Q552 HydrophobicContact CD1-CB 3.7Å; L548-Q552 HydrophobicContact CG-CB 3.88Å; T549-Q552 VanDerWaalsContact N-OE1 3.12Å; T549-Q552 PolarHBondContact O-N 3.49Å; T549-Q552 WeakPolarHBondContact OG1-CB 3.42Å; T549-Q552 WeakPolarHBondContact OG1-CG 3.39Å; T549-Q552 PolarHBondContact OG1-N 3.2Å; T549-Q552 PolarHBondContact OG1-OE1 2.88Å; Q552-Q554 PolarHBondContact O-N 3.49Å; Q552-S555 PolarHBondContact O-N 3.4Å; Q552-S556 PolarHBondContact O-N 3.06Å; Q552-S556 VanDerWaalsContact O-N 3.1Å; Q552-S556 PolarHBondContact O-OG 3.47Å
553	Y	89	Confident	88.2	Confident	23 Å²	23	75.7 Å²	75.7	9%	0.09	43%	0.426	C	S	.	.	H	α-helix	trans	-58.4	-47.8	174.5	175.6	-98.4	0	0	0	111.8	K475 L539 L543 L548 T549 K550 S556 N557	K475-Y553 WeakPolarHBondContact CD-OH 3.49Å; K475-Y553 PolarHBondContact NZ-OH 2.67Å; L539-Y553 HydrophobicContact CB-CD2 4.09Å; L539-Y553 HydrophobicContact CB-CE2 3.96Å; L543-Y553 HydrophobicContact CB-CD2 3.95Å; L543-Y553 HydrophobicContact CB-CE2 4.49Å; L543-Y553 HydrophobicContact CB-CG 4.29Å; L543-Y553 HydrophobicContact CD1-CG 4.16Å; L543-Y553 HydrophobicContact CD2-CD1 3.81Å; L543-Y553 HydrophobicContact CD2-CD2 3.99Å; L543-Y553 HydrophobicContact CD2-CE1 4Å; L543-Y553 HydrophobicContact CD2-CE2 4.19Å; L543-Y553 HydrophobicContact CD2-CG 3.81Å; L543-Y553 HydrophobicContact CG-CD2 4.42Å; L543-Y553 HydrophobicContact CG-CG 4.31Å; L548-Y553 HydrophobicContact CD2-CD2 4.17Å; L548-Y553 HydrophobicContact CD2-CG 4.48Å; T549-Y553 PolarHBondContact O-N 3.5Å; K550-Y553 PolarHBondContact O-N 2.94Å; Y553-S556 PolarHBondContact O-N 3.25Å; Y553-N557 HydrophobicContact CE1-CB 4.16Å; Y553-N557 WeakPolarHBondContact O-CB 3.31Å; Y553-N557 PolarHBondContact O-N 2.84Å; Y553-N557 PolarHBondContact OH-OD1 3.48Å
554	Q	88.4	Confident	88.4	Confident	120 Å²	120	74.2 Å²	74.2	56%	0.561	42%	0.418	S	S	*	.	H	α-helix	trans	-61.8	-47	-178.3	-171.5	167.5	-1.4	0	0	111.5	K550 A551 Q552 S556 N557 D558	K550-Q554 WeakPolarHBondContact O-CB 3.32Å; K550-Q554 PolarHBondContact O-N 3.4Å; A551-Q554 PolarHBondContact O-N 2.9Å; Q552-Q554 PolarHBondContact O-N 3.49Å; Q554-S556 PolarHBondContact O-N 3Å; Q554-N557 PolarHBondContact O-N 3.35Å; Q554-D558 WeakPolarHBondContact O-CB 3.45Å; Q554-D558 PolarHBondContact O-N 3.34Å
555	S	89.4	Confident	88.7	Confident	82 Å²	82	74.3 Å²	74.3	57%	0.573	43%	0.426	S	S	*	.	H	α-helix	trans	-60.5	-42.2	177.3	-179.7	0	0	0	0	113.1	A551 Q552 D559	A551-S555 PolarHBondContact O-N 2.95Å; A551-S555 VanDerWaalsContact O-N 3.11Å; Q552-S555 PolarHBondContact O-N 3.4Å; S555-D559 PolarHBondContact O-N 3.02Å
556	S	90	Very high	89.1	Confident	48 Å²	48	73.1 Å²	73.1	34%	0.336	42%	0.417	S	S	.	.	H	α-helix	trans	-72.2	-35	177.1	-62	0	0	0	0	112.6	Q552 Y553 Q554 L560	Q552-S556 PolarHBondContact O-N 3.06Å; Q552-S556 VanDerWaalsContact O-N 3.1Å; Q552-S556 PolarHBondContact O-OG 3.47Å; Y553-S556 PolarHBondContact O-N 3.25Å; Q554-S556 PolarHBondContact O-N 3Å; S556-L560 WeakPolarHBondContact O-CB 3.44Å; S556-L560 PolarHBondContact O-N 3.21Å
557	N	89.3	Confident	89.6	Confident	30 Å²	30	70.6 Å²	70.6	16%	0.16	39%	0.389	C	S	.	.	H	α-helix	trans	-68.5	-38.7	177.5	-173.6	85.6	0	0	0	111.6	Y553 Q554 L560 C561	Y553-N557 HydrophobicContact CE1-CB 4.16Å; Y553-N557 WeakPolarHBondContact O-CB 3.31Å; Y553-N557 PolarHBondContact O-N 2.84Å; Y553-N557 PolarHBondContact OH-OD1 3.48Å; Q554-N557 PolarHBondContact O-N 3.35Å; N557-L560 WeakPolarHBondContact O-CB 3.49Å; N557-L560 PolarHBondContact O-N 2.89Å; N557-C561 WeakPolarHBondContact O-CB 3.48Å; N557-C561 PolarHBondContact O-N 2.97Å; N557-C561 PolarHBondContact O-SG 3.1Å
558	D	89.7	Confident	89.7	Confident	89 Å²	89	64.3 Å²	64.3	48%	0.476	36%	0.362	S	S	.	.	H	α-helix	trans	-65.1	-41.3	177	-66.9	-16.6	0	0	0	111.4	Q554 C561 S562	Q554-D558 WeakPolarHBondContact O-CB 3.45Å; Q554-D558 PolarHBondContact O-N 3.34Å; D558-C561 PolarHBondContact O-N 3.39Å; D558-S562 WeakPolarHBondContact O-CB 3.48Å; D558-S562 PolarHBondContact O-N 2.86Å
559	D	92.1	Very high	90	Very high	79 Å²	79	70.7 Å²	70.7	42%	0.422	39%	0.385	S	S	.	.	H	α-helix	trans	-62.1	-44	172.6	-178.4	56.7	0	0	0	111.9	S555 S562 K563	S555-D559 PolarHBondContact O-N 3.02Å; D559-S562 WeakPolarHBondContact O-CB 3.46Å; D559-S562 PolarHBondContact O-N 3.11Å; D559-K563 WeakPolarHBondContact O-CG 3.14Å; D559-K563 PolarHBondContact O-N 3.02Å; D559-K563 IonicContact OD1-NZ 3.88Å; D559-K563 VanDerWaalsContact OD2-CE 3.27Å; D559-K563 WeakPolarHBondContact OD2-CE 3.49Å; D559-K563 IonicContact OD2-NZ 3.12Å; D559-K563 PolarHBondContact OD2-NZ 3.5Å
560	L	90.7	Very high	90.2	Very high	1 Å²	1	72.8 Å²	72.8	1%	0.005	39%	0.385	C	S	.	.	H	α-helix	trans	-61.5	-44.7	174.5	-98.4	158.3	0	0	0	113.1	L532 E535 L539 S556 N557 S562 K563 K564	L532-L560 HydrophobicContact CB-CD2 3.65Å; L532-L560 HydrophobicContact CD2-CD2 3.68Å; L532-L560 HydrophobicContact CG-CD2 4.17Å; L532-L560 VanDerWaalsContact O-CD2 3.3Å; L532-L560 WeakPolarHBondContact O-CD2 3.42Å; E535-L560 HydrophobicContact CB-CD1 4.35Å; E535-L560 HydrophobicContact CB-CD2 4.19Å; E535-L560 HydrophobicContact CG-CD1 4.04Å; E535-L560 HydrophobicContact CG-CD2 4.47Å; L539-L560 HydrophobicContact CD1-CD1 3.24Å; L539-L560 HydrophobicContact CG-CD1 4.43Å; S556-L560 WeakPolarHBondContact O-CB 3.44Å; S556-L560 PolarHBondContact O-N 3.21Å; N557-L560 WeakPolarHBondContact O-CB 3.49Å; N557-L560 PolarHBondContact O-N 2.89Å; L560-S562 VanDerWaalsContact C-N 3.32Å; L560-S562 PolarHBondContact O-N 3.35Å; L560-K563 PolarHBondContact O-N 3.37Å; L560-K564 WeakPolarHBondContact O-CB 3.47Å; L560-K564 VanDerWaalsContact O-CG 3.31Å; L560-K564 WeakPolarHBondContact O-CG 3.5Å; L560-K564 PolarHBondContact O-N 2.98Å
561	C	89.9	Confident	90.4	Very high	57 Å²	57	64.9 Å²	64.9	39%	0.385	35%	0.35	S	S	.	.	H	α-helix	trans	-61.3	-41.7	176.8	-74.7	0	0	0	0	111.3	N557 D558 K564 A565	N557-C561 WeakPolarHBondContact O-CB 3.48Å; N557-C561 PolarHBondContact O-N 2.97Å; N557-C561 PolarHBondContact O-SG 3.1Å; D558-C561 PolarHBondContact O-N 3.39Å; C561-K564 PolarHBondContact O-N 3.24Å; C561-A565 WeakPolarHBondContact O-CB 3.21Å; C561-A565 PolarHBondContact O-N 3.21Å
562	S	91.7	Very high	90.4	Very high	79 Å²	79	65 Å²	65	55%	0.552	34%	0.341	S	S	*	.	H	α-helix	trans	-61	-47.6	175.7	-174.2	0	0	0	0	111.7	D558 D559 L560 K564 A565 D566	D558-S562 WeakPolarHBondContact O-CB 3.48Å; D558-S562 PolarHBondContact O-N 2.86Å; D559-S562 WeakPolarHBondContact O-CB 3.46Å; D559-S562 PolarHBondContact O-N 3.11Å; L560-S562 VanDerWaalsContact C-N 3.32Å; L560-S562 PolarHBondContact O-N 3.35Å; S562-K564 PolarHBondContact O-N 3.24Å; S562-A565 PolarHBondContact O-N 2.81Å; S562-D566 PolarHBondContact O-N 3.33Å
563	K	93.5	Very high	90.5	Very high	86 Å²	86	62.7 Å²	62.7	37%	0.374	34%	0.337	S	S	.	.	H	α-helix	trans	-63.1	-41.2	176.9	-70.2	170.3	177.7	164.3	0	112.7	L532 D559 L560 D566 I567	L532-K563 HydrophobicContact CD1-CB 3.63Å; L532-K563 HydrophobicContact CD2-CB 4.32Å; L532-K563 HydrophobicContact CD2-CD 4.16Å; D559-K563 WeakPolarHBondContact O-CG 3.14Å; D559-K563 PolarHBondContact O-N 3.02Å; D559-K563 IonicContact OD1-NZ 3.88Å; D559-K563 VanDerWaalsContact OD2-CE 3.27Å; D559-K563 WeakPolarHBondContact OD2-CE 3.49Å; D559-K563 IonicContact OD2-NZ 3.12Å; D559-K563 PolarHBondContact OD2-NZ 3.5Å; L560-K563 PolarHBondContact O-N 3.37Å; K563-D566 PolarHBondContact O-N 3.04Å; K563-I567 WeakPolarHBondContact O-CG1 3.27Å; K563-I567 PolarHBondContact O-N 3.34Å; K563-I567 VanDerWaalsContact O-N 3.08Å
564	K	92	Very high	90.4	Very high	13 Å²	13	63.2 Å²	63.2	6%	0.057	34%	0.341	C	S	.	.	H	α-helix	trans	-61.4	-43.1	175	-77.4	176.7	-178	177.1	0	111.6	E468 Y529 L532 L560 C561 S562 I567 I568	E468-K564 IonicContact OE1-NZ 3.85Å; E468-K564 PolarHBondContact OE1-NZ 3.35Å; Y529-K564 HydrophobicContact CD2-CB 4.29Å; Y529-K564 HydrophobicContact CD2-CG 4.19Å; Y529-K564 HydrophobicContact CE2-CB 3.58Å; Y529-K564 HydrophobicContact CE2-CD 4.31Å; Y529-K564 HydrophobicContact CE2-CG 3.69Å; L532-K564 HydrophobicContact CB-CG 4.06Å; L532-K564 HydrophobicContact CD1-CG 3.81Å; L560-K564 WeakPolarHBondContact O-CB 3.47Å; L560-K564 VanDerWaalsContact O-CG 3.31Å; L560-K564 WeakPolarHBondContact O-CG 3.5Å; L560-K564 PolarHBondContact O-N 2.98Å; C561-K564 PolarHBondContact O-N 3.24Å; S562-K564 PolarHBondContact O-N 3.24Å; K564-I567 PolarHBondContact O-N 2.69Å; K564-I568 WeakPolarHBondContact O-CG1 3.47Å; K564-I568 PolarHBondContact O-N 3.36Å
565	A	91	Very high	90.3	Very high	58 Å²	58	58.6 Å²	58.6	48%	0.479	32%	0.32	S	S	.	.	H	α-helix	trans	-65.3	-41.7	178	0	0	0	0	0	112.5	C561 S562 I568 Y569	C561-A565 WeakPolarHBondContact O-CB 3.21Å; C561-A565 PolarHBondContact O-N 3.21Å; S562-A565 PolarHBondContact O-N 2.81Å; A565-I568 PolarHBondContact O-N 2.74Å; A565-Y569 PolarHBondContact O-N 3.21Å
566	D	93.2	Very high	90	Very high	69 Å²	69	62.8 Å²	62.8	37%	0.369	33%	0.33	S	S	.	.	H	α-helix	trans	-61.7	-42.7	175.1	-177.9	36.9	0	0	0	111.7	S562 K563 I568 Y569 R570	S562-D566 PolarHBondContact O-N 3.33Å; K563-D566 PolarHBondContact O-N 3.04Å; D566-I568 PolarHBondContact O-N 2.91Å; D566-Y569 PolarHBondContact O-N 2.9Å; D566-R570 VanDerWaalsContact O-CG 3.32Å; D566-R570 WeakPolarHBondContact O-CG 3.35Å; D566-R570 PolarHBondContact O-N 3.3Å; D566-R570 IonicContact OD1-CZ 3.37Å; D566-R570 IonicContact OD1-NE 3.91Å; D566-R570 PolarHBondContact OD1-NE 3.25Å; D566-R570 IonicContact OD1-NH2 3.85Å; D566-R570 IonicContact OD2-CZ 3.84Å; D566-R570 VanDerWaalsContact OD2-CZ 3.26Å; D566-R570 IonicContact OD2-NE 2.98Å; D566-R570 PolarHBondContact OD2-NE 2.94Å; D566-R570 IonicContact OD2-NH2 3.25Å; D566-R570 PolarHBondContact OD2-NH2 2.92Å
567	I	91.7	Very high	89.6	Confident	10 Å²	10	64.3 Å²	64.3	5%	0.051	34%	0.34	C	S	.	.	H	α-helix	trans	-62.6	-44	176	-69.9	172.7	0	0	0	111.7	L525 Q528 Y529 L532 K563 K564 R570 I571	L525-I567 HydrophobicContact CB-CG2 4.16Å; L525-I567 WeakPolarHBondContact O-CG2 3.43Å; Q528-I567 HydrophobicContact CB-CD1 3.79Å; Y529-I567 HydrophobicContact CD2-CB 4.25Å; Y529-I567 HydrophobicContact CD2-CG2 3.98Å; L532-I567 HydrophobicContact CD1-CD1 3.55Å; L532-I567 HydrophobicContact CG-CD1 4.46Å; K563-I567 WeakPolarHBondContact O-CG1 3.27Å; K563-I567 PolarHBondContact O-N 3.34Å; K563-I567 VanDerWaalsContact O-N 3.08Å; K564-I567 PolarHBondContact O-N 2.69Å; I567-R570 PolarHBondContact O-N 3.48Å; I567-I571 HydrophobicContact CG2-CD1 3.73Å; I567-I571 HydrophobicContact CG2-CG1 4.42Å; I567-I571 VanDerWaalsContact O-CG1 3.32Å; I567-I571 WeakPolarHBondContact O-CG1 3.25Å; I567-I571 PolarHBondContact O-N 3.36Å
568	I	89.6	Confident	88.8	Confident	39 Å²	39	64.5 Å²	64.5	20%	0.2	34%	0.341	C	S	.	.	H	α-helix	trans	-60.6	-47.1	176.8	-69.7	167.2	0	0	0	110.3	Y464 Y529 K564 A565 D566 R570 I571 D572	Y464-I568 HydrophobicContact CD2-CD1 4.45Å; Y464-I568 HydrophobicContact CD2-CG1 4.3Å; Y464-I568 HydrophobicContact CE2-CG1 4.36Å; Y529-I568 HydrophobicContact CD2-CG1 4.34Å; Y529-I568 HydrophobicContact CE2-CD1 3.77Å; Y529-I568 HydrophobicContact CE2-CG1 3.81Å; K564-I568 WeakPolarHBondContact O-CG1 3.47Å; K564-I568 PolarHBondContact O-N 3.36Å; A565-I568 PolarHBondContact O-N 2.74Å; D566-I568 PolarHBondContact O-N 2.91Å; I568-R570 VanDerWaalsContact C-N 3.31Å; I568-R570 PolarHBondContact O-N 3.35Å; I568-I571 WeakPolarHBondContact O-CB 3.4Å; I568-I571 PolarHBondContact O-N 3.49Å; I568-I571 VanDerWaalsContact O-N 3.12Å; I568-D572 PolarHBondContact O-N 3.49Å
569	Y	90.6	Very high	88.8	Confident	168 Å²	168	63.3 Å²	63.3	66%	0.659	33%	0.334	S	S	*	.	H	α-helix	trans	-58.1	-41.7	177.8	179.8	-97.4	0	0	0	112.6	A565 D566 D572 S573	A565-Y569 PolarHBondContact O-N 3.21Å; D566-Y569 PolarHBondContact O-N 2.9Å; Y569-D572 PolarHBondContact O-N 3.41Å; Y569-S573 WeakPolarHBondContact O-CB 3.41Å; Y569-S573 PolarHBondContact O-N 2.98Å
570	R	92	Very high	88.6	Confident	123 Å²	123	62.4 Å²	62.4	46%	0.464	33%	0.329	S	S	.	.	H	α-helix	trans	-66.3	-40.8	175.5	-68.7	176.1	-166.3	-158.4	6.6	112.4	L525 D566 I567 I568 S573 I574	L525-R570 HydrophobicContact CD1-CB 3.75Å; L525-R570 HydrophobicContact CD2-CB 4.42Å; D566-R570 VanDerWaalsContact O-CG 3.32Å; D566-R570 WeakPolarHBondContact O-CG 3.35Å; D566-R570 PolarHBondContact O-N 3.3Å; D566-R570 IonicContact OD1-CZ 3.37Å; D566-R570 IonicContact OD1-NE 3.91Å; D566-R570 PolarHBondContact OD1-NE 3.25Å; D566-R570 IonicContact OD1-NH2 3.85Å; D566-R570 IonicContact OD2-CZ 3.84Å; D566-R570 VanDerWaalsContact OD2-CZ 3.26Å; D566-R570 IonicContact OD2-NE 2.98Å; D566-R570 PolarHBondContact OD2-NE 2.94Å; D566-R570 IonicContact OD2-NH2 3.25Å; D566-R570 PolarHBondContact OD2-NH2 2.92Å; I567-R570 PolarHBondContact O-N 3.48Å; I568-R570 VanDerWaalsContact C-N 3.31Å; I568-R570 PolarHBondContact O-N 3.35Å; R570-S573 PolarHBondContact O-N 3.35Å; R570-I574 VanDerWaalsContact O-CG1 3.29Å; R570-I574 WeakPolarHBondContact O-CG1 3.46Å; R570-I574 PolarHBondContact O-N 3.1Å; R570-I574 VanDerWaalsContact O-N 3.11Å
571	I	89.4	Confident	88.5	Confident	11 Å²	11	65.8 Å²	65.8	6%	0.056	35%	0.347	C	S	.	.	H	α-helix	trans	-60.6	-47.6	175.6	-71.6	162.5	0	0	0	110.1	Y464 I522 L525 I567 I568 S573 I574 L575	Y464-I571 HydrophobicContact CE2-CD1 4.34Å; I522-I571 HydrophobicContact CG2-CG2 4.3Å; L525-I571 HydrophobicContact CB-CD1 4.15Å; L525-I571 HydrophobicContact CB-CG1 3.81Å; L525-I571 HydrophobicContact CD1-CG1 3.95Å; I567-I571 HydrophobicContact CG2-CD1 3.73Å; I567-I571 HydrophobicContact CG2-CG1 4.42Å; I567-I571 VanDerWaalsContact O-CG1 3.32Å; I567-I571 WeakPolarHBondContact O-CG1 3.25Å; I567-I571 PolarHBondContact O-N 3.36Å; I568-I571 WeakPolarHBondContact O-CB 3.4Å; I568-I571 PolarHBondContact O-N 3.49Å; I568-I571 VanDerWaalsContact O-N 3.12Å; I571-S573 VanDerWaalsContact C-N 3.35Å; I571-S573 PolarHBondContact O-N 3.11Å; I571-I574 PolarHBondContact O-N 3.4Å; I571-L575 WeakPolarHBondContact O-CB 3.44Å; I571-L575 PolarHBondContact O-N 2.87Å
572	D	87.2	Confident	88.4	Confident	75 Å²	75	66.4 Å²	66.4	40%	0.401	35%	0.345	S	S	.	.	H	α-helix	trans	-63.9	-40.2	-179.1	-69.5	-24.4	0	0	0	111.5	I568 Y569 I574 L575 E576	I568-D572 PolarHBondContact O-N 3.49Å; Y569-D572 PolarHBondContact O-N 3.41Å; D572-I574 VanDerWaalsContact C-N 3.35Å; D572-I574 PolarHBondContact O-N 3.28Å; D572-L575 WeakPolarHBondContact O-CB 3.21Å; D572-L575 PolarHBondContact O-N 3.44Å; D572-E576 PolarHBondContact O-N 3.19Å
573	S	89.7	Confident	88.2	Confident	57 Å²	57	65.6 Å²	65.6	40%	0.399	33%	0.332	S	S	.	.	H	α-helix	trans	-63.5	-36.7	175.9	178.2	0	0	0	0	113.3	Y569 R570 I571 C577	Y569-S573 WeakPolarHBondContact O-CB 3.41Å; Y569-S573 PolarHBondContact O-N 2.98Å; R570-S573 PolarHBondContact O-N 3.35Å; I571-S573 VanDerWaalsContact C-N 3.35Å; I571-S573 PolarHBondContact O-N 3.11Å; S573-C577 PolarHBondContact O-SG 3.48Å
574	I	88.1	Confident	87.9	Confident	34 Å²	34	64.2 Å²	64.2	17%	0.174	33%	0.329	C	S	.	.	H	α-helix	trans	-74.2	-36.5	175.8	-59.7	164	0	0	0	110.1	K518 D521 I522 L525 R570 I571 D572 E576 C577 L578	K518-I574 HydrophobicContact CB-CG2 3.78Å; K518-I574 HydrophobicContact CG-CG2 4.09Å; D521-I574 HydrophobicContact CB-CD1 3.98Å; I522-I574 HydrophobicContact CD1-CB 4.02Å; I522-I574 HydrophobicContact CD1-CG2 3.69Å; I522-I574 HydrophobicContact CG1-CB 3.88Å; I522-I574 HydrophobicContact CG1-CD1 4.26Å; I522-I574 HydrophobicContact CG1-CG2 3.69Å; L525-I574 HydrophobicContact CD1-CD1 3.66Å; R570-I574 VanDerWaalsContact O-CG1 3.29Å; R570-I574 WeakPolarHBondContact O-CG1 3.46Å; R570-I574 PolarHBondContact O-N 3.1Å; R570-I574 VanDerWaalsContact O-N 3.11Å; I571-I574 PolarHBondContact O-N 3.4Å; D572-I574 VanDerWaalsContact C-N 3.35Å; D572-I574 PolarHBondContact O-N 3.28Å; I574-E576 VanDerWaalsContact C-N 3.35Å; I574-E576 PolarHBondContact O-N 3.33Å; I574-C577 WeakPolarHBondContact O-CB 3.43Å; I574-C577 PolarHBondContact O-N 2.91Å; I574-C577 VanDerWaalsContact O-N 3.11Å; I574-L578 PolarHBondContact O-N 2.86Å; I574-L578 VanDerWaalsContact O-N 3.12Å
575	L	85.2	Confident	87.6	Confident	23 Å²	23	67.9 Å²	67.9	12%	0.12	35%	0.349	C	S	.	.	H	α-helix	trans	-61.7	-40	177.2	-168.5	79	0	0	0	112.2	Q454 L457 I571 D572 C577 L578	Q454-L575 HydrophobicContact CB-CD1 4.35Å; Q454-L575 HydrophobicContact CG-CD1 3.91Å; Q454-L575 HydrophobicContact CG-CG 4.4Å; L457-L575 HydrophobicContact CB-CD1 3.92Å; L457-L575 HydrophobicContact CD1-CD1 3.42Å; L457-L575 VanDerWaalsContact CD1-CD1 3.42Å; L457-L575 HydrophobicContact CG-CD1 4.32Å; I571-L575 WeakPolarHBondContact O-CB 3.44Å; I571-L575 PolarHBondContact O-N 2.87Å; D572-L575 WeakPolarHBondContact O-CB 3.21Å; D572-L575 PolarHBondContact O-N 3.44Å; L575-C577 PolarHBondContact O-N 3.24Å; L575-L578 WeakPolarHBondContact O-CB 3.41Å; L575-L578 PolarHBondContact O-N 3.33Å
576	E	83.1	Confident	87.3	Confident	170 Å²	170	68.6 Å²	68.6	79%	0.794	34%	0.338	S	S	*	.	H	α-helix	trans	-65.9	-26.7	174.8	-73.6	-176.1	170.7	0	0	113	D572 I574	D572-E576 PolarHBondContact O-N 3.19Å; I574-E576 VanDerWaalsContact C-N 3.35Å; I574-E576 PolarHBondContact O-N 3.33Å
577	C	81.2	Confident	86.8	Confident	79 Å²	79	68.6 Å²	68.6	53%	0.534	34%	0.336	S	S	.	.	H	α-helix	trans	-84.8	-16.1	177.3	-65.9	0	0	0	0	113	K518 S573 I574 L575	K518-C577 PolarHBondContact NZ-O 2.98Å; S573-C577 PolarHBondContact O-SG 3.48Å; I574-C577 WeakPolarHBondContact O-CB 3.43Å; I574-C577 PolarHBondContact O-N 2.91Å; I574-C577 VanDerWaalsContact O-N 3.11Å; L575-C577 PolarHBondContact O-N 3.24Å
578	L	74.3	Confident	86.4	Confident	34 Å²	34	73.9 Å²	73.9	18%	0.178	36%	0.362	C	S	.	.			trans	-77	0	-178.4	-163.9	97.9	0	0	0	110.5	V450 Q454 K518 L519 I574 L575	V450-L578 HydrophobicContact CG1-CD2 3.99Å; V450-L578 HydrophobicContact CG1-CG 4.38Å; Q454-L578 HydrophobicContact CG-CD2 4.17Å; Q454-L578 PolarHBondContact NE2-OXT 2.9Å; K518-L578 HydrophobicContact CB-CD1 3.57Å; K518-L578 HydrophobicContact CD-CD1 4.02Å; K518-L578 HydrophobicContact CG-CD1 4.47Å; L519-L578 HydrophobicContact CD2-CD1 4.31Å; L519-L578 HydrophobicContact CD2-CD2 4.37Å; L519-L578 HydrophobicContact CG-CD1 4.14Å; I574-L578 PolarHBondContact O-N 2.86Å; I574-L578 VanDerWaalsContact O-N 3.12Å; L575-L578 WeakPolarHBondContact O-CB 3.41Å; L575-L578 PolarHBondContact O-N 3.33Å

Retrieved 578 of 578 residues in 171.2 ms (Link to these results)

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