A0A087YNM9_POEFO Loading...

Activator of 90 kDa heat shock protein ATPase homolog 1

Acts as a co-chaperone of HSP90AA1. Activates the ATPase activity of HSP90AA1 leading to increase in its chaperone activity. Competes with the inhibitory co-chaperone FNIP1 for binding to HSP90AA1, thereby providing a reciprocal regulatory mechanism for chaperoning of client proteins. Competes with the inhibitory co-chaperone TSC1 for binding to HSP90AA1, thereby providing a reciprocal regulatory mechanism for chaperoning of client proteins.

AlphaFold DB , UniProt , Accession A0A087YNM9, Species POEFO (Poecilia formosa, Amazon molly), Gene AHSA1, Length 339 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	44.7	Very low	44.5	Very low	244 Å²	244	146.3 Å²	146.3	100%	1.202	75%	0.747	S	S	*	*				0	128.4	0	-62.7	-179.9	-153	0	0	106.9
2	A	39.4	Very low	44.4	Very low	89 Å²	89	141.8 Å²	141.8	74%	0.736	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-65.1	146.5	176.5	0	0	0	0	0	110.1
3	K	42.2	Very low	44.4	Very low	166 Å²	166	139.7 Å²	139.7	72%	0.722	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-67.1	137.9	179.3	-77.5	-179.5	177.5	175.3	0	109.8	G5 E6	K3-G5 PolarHBondContact O-N 3.3Å; K3-G5 VanDerWaalsContact O-N 3.15Å; K3-E6 PolarHBondContact O-N 3.35Å; K3-E6 VanDerWaalsContact O-N 3.15Å
4	W	33.2	Very low	44.6	Very low	267 Å²	267	137.7 Å²	137.7	100%	1.011	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	117.2	175.6	-174.5	-90	0	0	0	110.1
5	G	51.9	Low	44.1	Very low	80 Å²	80	142 Å²	142	83%	0.825	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	104.1	-9.7	-179.2	0	0	0	0	0	116.1	K3	K3-G5 PolarHBondContact O-N 3.3Å; K3-G5 VanDerWaalsContact O-N 3.15Å
6	E	49.6	Very low	43.9	Very low	143 Å²	143	142.5 Å²	142.5	67%	0.668	71%	0.713	S	S	*	*			trans	-116.7	82.9	171.1	-74.2	-176.4	157.8	0	0	109.1	K3	K3-E6 PolarHBondContact O-N 3.35Å; K3-E6 VanDerWaalsContact O-N 3.15Å
7	G	46.3	Very low	43.7	Very low	49 Å²	49	141.1 Å²	141.1	51%	0.505	73%	0.729	S	S	.	*			trans	-65	135	168.3	0	0	0	0	0	109.9
8	D	45.8	Very low	43.9	Very low	67 Å²	67	138.8 Å²	138.8	36%	0.358	72%	0.718	S	S	.	*			trans	-52.5	127.3	169.6	179.5	-29.7	0	0	0	108.2	R10 W11	D8-R10 PolarHBondContact O-N 2.87Å; D8-R10 VanDerWaalsContact OD1-CB 3.31Å; D8-R10 WeakPolarHBondContact OD1-CB 3.24Å; D8-R10 WeakPolarHBondContact OD1-CG 3.37Å; D8-R10 PolarHBondContact OD1-N 3.45Å; D8-W11 WeakPolarHBondContact O-CA 3.47Å; D8-W11 PolarHBondContact O-N 2.78Å
9	P	50.9	Low	43.8	Very low	103 Å²	103	136.6 Å²	136.6	67%	0.669	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-52.3	-23.3	-179	-26.6	33	0	0	0	114.4	W11	P9-W11 PolarHBondContact O-N 3.44Å
10	R	44.1	Very low	43.8	Very low	195 Å²	195	135.7 Å²	135.7	74%	0.736	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-67.7	-16.8	174.5	-64.6	168.1	173.9	155.8	-2.5	113.8	D8	D8-R10 PolarHBondContact O-N 2.87Å; D8-R10 VanDerWaalsContact OD1-CB 3.31Å; D8-R10 WeakPolarHBondContact OD1-CB 3.24Å; D8-R10 WeakPolarHBondContact OD1-CG 3.37Å; D8-R10 PolarHBondContact OD1-N 3.45Å
11	W	41.7	Very low	43.9	Very low	206 Å²	206	130.4 Å²	130.4	78%	0.78	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-117.4	0.9	-173	-61.4	70.1	0	0	0	112.8	D8 P9 V13	D8-W11 WeakPolarHBondContact O-CA 3.47Å; D8-W11 PolarHBondContact O-N 2.78Å; P9-W11 PolarHBondContact O-N 3.44Å; W11-V13 PolarHBondContact O-N 3.17Å
12	I	43.3	Very low	43.9	Very low	93 Å²	93	122.4 Å²	122.4	48%	0.477	66%	0.659	S	S	.	*			trans	-81	111.4	175.7	-58.8	177.5	0	0	0	108.1	E14	I12-E14 HydrophobicContact CG2-CG 4.38Å; I12-E14 PolarHBondContact O-N 2.91Å
13	V	44.5	Very low	44.2	Very low	114 Å²	114	122.4 Å²	122.4	69%	0.691	65%	0.647	S	S	*	*			trans	-84.8	97.8	170.3	-179.3	0	0	0	0	107.3	W11	W11-V13 PolarHBondContact O-N 3.17Å
14	E	47.3	Very low	44.6	Very low	112 Å²	112	114.8 Å²	114.8	52%	0.523	61%	0.614	S	S	.	*			trans	-71.8	124.2	165.6	-73.2	-175.1	155.5	0	0	108.8	I12 R16	I12-E14 HydrophobicContact CG2-CG 4.38Å; I12-E14 PolarHBondContact O-N 2.91Å; E14-R16 HydrophobicContact CB-CG 4.47Å; E14-R16 PolarHBondContact O-N 3.37Å; E14-R16 VanDerWaalsContact O-N 3.13Å; E14-R16 IonicContact OE2-CZ 2.9Å; E14-R16 IonicContact OE2-NE 3.84Å; E14-R16 PolarHBondContact OE2-NE 3.13Å; E14-R16 IonicContact OE2-NH2 2.65Å; E14-R16 PolarHBondContact OE2-NH2 3.03Å
15	E	35.8	Very low	45.3	Very low	202 Å²	202	110.2 Å²	110.2	94%	0.944	60%	0.597	S	S	*	*			trans	-64.6	112.5	168.9	-81.1	-171.8	148.9	0	0	109.3
16	R	41.2	Very low	45.2	Very low	150 Å²	150	111.9 Å²	111.9	57%	0.566	58%	0.583	S	S	*	*			trans	-120.7	152.4	172.4	-64.1	-172	-176.7	-171.4	1.5	109.4	E14 D18	E14-R16 HydrophobicContact CB-CG 4.47Å; E14-R16 PolarHBondContact O-N 3.37Å; E14-R16 VanDerWaalsContact O-N 3.13Å; E14-R16 IonicContact OE2-CZ 2.9Å; E14-R16 IonicContact OE2-NE 3.84Å; E14-R16 PolarHBondContact OE2-NE 3.13Å; E14-R16 IonicContact OE2-NH2 2.65Å; E14-R16 PolarHBondContact OE2-NH2 3.03Å; R16-D18 PolarHBondContact O-N 2.85Å; R16-D18 VanDerWaalsContact O-N 3.13Å
17	A	41.7	Very low	45.3	Very low	118 Å²	118	111.3 Å²	111.3	98%	0.975	58%	0.575	S	S	*	*	S	Bend	trans	-64.1	-15.6	-173.7	0	0	0	0	0	114.4
18	D	45.7	Very low	46.1	Very low	100 Å²	100	111.5 Å²	111.5	54%	0.535	57%	0.566	S	S	.	*			trans	-111.3	84.8	172.6	75.8	-34.9	0	0	0	111.4	R16 T20	R16-D18 PolarHBondContact O-N 2.85Å; R16-D18 VanDerWaalsContact O-N 3.13Å; D18-T20 PolarHBondContact O-N 2.84Å
19	A	42.2	Very low	47.7	Very low	98 Å²	98	113.9 Å²	113.9	81%	0.81	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	21.3	-177.2	0	0	0	0	0	115.7
20	T	45.3	Very low	49	Very low	117 Å²	117	115 Å²	115	72%	0.718	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.1	-15	-163.2	-9	0	0	0	0	116.4	D18	D18-T20 PolarHBondContact O-N 2.84Å
21	N	44.7	Very low	51	Low	25 Å²	25	110.7 Å²	110.7	13%	0.134	56%	0.557	C	S	.	*			trans	-154.9	60.6	174.2	-157.1	0.5	0	0	0	115.8	N23 N24 W25 H26 T28	N21-N23 PolarHBondContact O-N 3.02Å; N21-N24 PolarHBondContact O-N 3.09Å; N21-N24 WeakPolarHBondContact OD1-CA 3.49Å; N21-W25 PolarHBondContact OD1-N 2.77Å; N21-H26 PolarHBondContact ND2-O 2.88Å; N21-H26 PolarHBondContact OD1-N 2.89Å; N21-H26 VanDerWaalsContact OD1-N 3.07Å; N21-T28 WeakPolarHBondContact ND2-CG2 3.25Å
22	V	44.8	Very low	53.2	Low	76 Å²	76	100.9 Å²	100.9	46%	0.461	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-57	127	172.4	-172.2	0	0	0	0	109.9	N24	V22-N24 PolarHBondContact O-N 3.2Å
23	N	46.4	Very low	55.3	Low	90 Å²	90	97.9 Å²	97.9	48%	0.481	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	64	19.3	178	-63.5	-33.5	0	0	0	117.9	N21 W25	N21-N23 PolarHBondContact O-N 3.02Å; N23-W25 PolarHBondContact O-N 2.67Å
24	N	49.7	Very low	57.3	Low	6 Å²	6	98 Å²	98	3%	0.032	50%	0.504	C	S	.	.	G	3₁₀ helix	trans	54	33	-177.3	-60.4	-46.5	0	0	0	113.1	N21 V22 K74	N21-N24 PolarHBondContact O-N 3.09Å; N21-N24 WeakPolarHBondContact OD1-CA 3.49Å; V22-N24 PolarHBondContact O-N 3.2Å; N24-K74 PolarHBondContact O-N 2.96Å; N24-K74 VanDerWaalsContact O-N 3.08Å
25	W	48.3	Very low	59.2	Low	171 Å²	171	95.4 Å²	95.4	65%	0.648	49%	0.489	S	S	*	.			trans	-80.9	-26.8	-177.6	-163.7	-96.7	0	0	0	112.4	N21 N23 K74	N21-W25 PolarHBondContact OD1-N 2.77Å; N23-W25 PolarHBondContact O-N 2.67Å; W25-K74 HydrophobicContact CE3-CG 4.29Å; W25-K74 HydrophobicContact CZ3-CD 4.25Å; W25-K74 HydrophobicContact CZ3-CG 4.39Å
26	H	49.4	Very low	61.9	Low	115 Å²	115	85.8 Å²	85.8	53%	0.532	44%	0.444	S	S	.	.	S	Bend	trans	-86.9	135.5	175.3	-61.6	87.6	0	0	0	110.2	N21 T28	N21-H26 PolarHBondContact ND2-O 2.88Å; N21-H26 PolarHBondContact OD1-N 2.89Å; N21-H26 VanDerWaalsContact OD1-N 3.07Å; H26-T28 PolarHBondContact O-N 3.25Å
27	W	52.4	Low	64.2	Low	130 Å²	130	79.3 Å²	79.3	49%	0.492	42%	0.422	S	S	.	.			trans	-56.1	124.9	175.5	-173.4	-88.1	0	0	0	109.4	N71 R73	W27-N71 HydrophobicContact CH2-CB 3.87Å; W27-N71 HydrophobicContact CZ2-CB 3.5Å; W27-N71 VanDerWaalsContact CZ2-OD1 3.23Å; W27-N71 WeakPolarHBondContact CZ2-OD1 3.35Å; W27-N71 PolarHBondContact NE1-OD1 2.88Å; W27-R73 HydrophobicContact CE3-CB 4.14Å; W27-R73 HydrophobicContact CE3-CG 4.36Å; W27-R73 HydrophobicContact CZ3-CB 4.18Å
28	T	63.9	Low	66.3	Low	53 Å²	53	78.3 Å²	78.3	33%	0.325	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	122.5	173	46.7	0	0	0	0	108.4	N21 H26 N71 N72	N21-T28 WeakPolarHBondContact ND2-CG2 3.25Å; H26-T28 PolarHBondContact O-N 3.25Å; T28-N71 WeakPolarHBondContact O-CA 3.43Å; T28-N72 PolarHBondContact N-O 2.9Å; T28-N72 PolarHBondContact O-N 3Å
29	E	77.9	Confident	68.5	Low	117 Å²	117	75.3 Å²	75.3	55%	0.547	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	134.8	176	-174.6	163.9	-162	0	0	108.6	S69 N71	E29-S69 VanDerWaalsContact OE1-CB 3.25Å; E29-S69 WeakPolarHBondContact OE1-CB 3.35Å; E29-S69 PolarHBondContact OE1-OG 2.8Å; E29-N71 WeakPolarHBondContact CA-OD1 3.21Å; E29-N71 WeakPolarHBondContact CB-OD1 3.41Å; E29-N71 VanDerWaalsContact CG-OD1 3.31Å; E29-N71 WeakPolarHBondContact CG-OD1 3.4Å
30	R	79.9	Confident	70.9	Confident	128 Å²	128	70.6 Å²	70.6	48%	0.483	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	126.7	167.1	-68.6	-161.4	178.9	178.4	-1.3	109.4	A32 S69 I70 F159 M163	R30-A32 PolarHBondContact O-N 2.79Å; R30-S69 WeakPolarHBondContact O-CA 3.16Å; R30-I70 PolarHBondContact N-O 2.79Å; R30-I70 PolarHBondContact O-N 3.01Å; R30-F159 HydrophobicContact CB-CE1 4.12Å; R30-F159 HydrophobicContact CB-CZ 4.34Å; R30-M163 HydrophobicContact CB-CE 3.77Å; R30-M163 HydrophobicContact CB-SD 4.44Å; R30-M163 HydrophobicContact CG-CE 3.69Å; R30-M163 HydrophobicContact CG-SD 4.48Å
31	D	84.4	Confident	73.2	Confident	103 Å²	103	69.1 Å²	69.1	55%	0.551	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	120	170.4	177.9	22.2	0	0	0	109.6	T33 F159	D31-T33 WeakPolarHBondContact OD1-CB 3.46Å; D31-T33 PolarHBondContact OD1-N 3.37Å; D31-T33 PolarHBondContact OD1-OG1 2.78Å; D31-F159 WeakPolarHBondContact O-CZ 3.44Å
32	A	89	Confident	75.5	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.008	35%	0.346	C	S	.	.			trans	-106.1	0.1	176.8	0	0	0	0	0	112	R30 N34 W35 S36 A68 I70 L155 F159	R30-A32 PolarHBondContact O-N 2.79Å; A32-N34 PolarHBondContact O-N 2.95Å; A32-W35 PolarHBondContact O-N 3.31Å; A32-W35 VanDerWaalsContact O-N 3.17Å; A32-S36 VanDerWaalsContact O-CB 3.32Å; A32-S36 WeakPolarHBondContact O-CB 3.05Å; A32-S36 PolarHBondContact O-N 3.01Å; A32-S36 PolarHBondContact O-OG 3.25Å; A32-A68 CarbonylContact C-O 3.47Å; A32-A68 WeakPolarHBondContact CA-O 2.82Å; A32-A68 HydrophobicContact CB-CB 3.98Å; A32-A68 PolarHBondContact N-O 2.67Å; A32-I70 HydrophobicContact CB-CG1 4.41Å; A32-L155 HydrophobicContact CB-CD1 3.99Å; A32-F159 VanDerWaalsContact CA-CZ 3.48Å; A32-F159 HydrophobicContact CB-CD1 4.13Å; A32-F159 HydrophobicContact CB-CD2 4.15Å; A32-F159 HydrophobicContact CB-CE1 3.68Å; A32-F159 HydrophobicContact CB-CE2 3.72Å; A32-F159 HydrophobicContact CB-CG 4.32Å; A32-F159 HydrophobicContact CB-CZ 3.46Å; A32-F159 VanDerWaalsContact CB-CZ 3.46Å
33	T	86.3	Confident	77.7	Confident	30 Å²	30	70 Å²	70	18%	0.184	34%	0.335	C	S	.	.	H	α-helix	trans	-52.7	-50.6	-170.8	-59.6	0	0	0	0	112.6	D31 S36 S37 E67 A68 W83	D31-T33 WeakPolarHBondContact OD1-CB 3.46Å; D31-T33 PolarHBondContact OD1-N 3.37Å; D31-T33 PolarHBondContact OD1-OG1 2.78Å; T33-S36 PolarHBondContact O-N 3.03Å; T33-S37 WeakPolarHBondContact O-CB 3.31Å; T33-S37 PolarHBondContact O-N 3.33Å; T33-E67 WeakPolarHBondContact OG1-CA 3.2Å; T33-A68 PolarHBondContact N-O 2.85Å; T33-A68 VanDerWaalsContact N-O 3.12Å; T33-A68 PolarHBondContact OG1-N 3.42Å; T33-A68 PolarHBondContact OG1-O 2.8Å; T33-W83 HydrophobicContact CG2-CH2 3.78Å; T33-W83 HydrophobicContact CG2-CZ2 4.46Å; T33-W83 VanDerWaalsContact O-CH2 3.3Å; T33-W83 WeakPolarHBondContact O-CH2 3.31Å
34	N	86.1	Confident	80	Confident	117 Å²	117	65.9 Å²	65.9	63%	0.626	31%	0.313	S	S	*	.	H	α-helix	trans	-66.1	-45.9	-178.9	-68	-40.1	0	0	0	112	A32 S36 S37 D38	A32-N34 PolarHBondContact O-N 2.95Å; N34-S36 VanDerWaalsContact C-N 3.33Å; N34-S36 PolarHBondContact O-N 2.75Å; N34-S37 PolarHBondContact O-N 3.37Å; N34-D38 PolarHBondContact O-N 3.22Å
35	W	88.3	Confident	82.1	Confident	56 Å²	56	70.4 Å²	70.4	21%	0.212	34%	0.337	C	S	.	.	H	α-helix	trans	-60.1	-45	177.6	177.6	92.7	0	0	0	111.3	A32 D38 K39 Y151 F154 L155 E158 F159	A32-W35 PolarHBondContact O-N 3.31Å; A32-W35 VanDerWaalsContact O-N 3.17Å; W35-D38 PolarHBondContact O-N 3.35Å; W35-K39 HydrophobicContact CH2-CB 4.26Å; W35-K39 HydrophobicContact CH2-CD 4.43Å; W35-K39 HydrophobicContact CH2-CG 3.98Å; W35-K39 HydrophobicContact CZ2-CB 4.41Å; W35-K39 HydrophobicContact CZ2-CD 4.15Å; W35-K39 HydrophobicContact CZ2-CG 4.17Å; W35-K39 HydrophobicContact CZ3-CB 4.35Å; W35-K39 HydrophobicContact CZ3-CG 4.49Å; W35-K39 VanDerWaalsContact O-CB 3.3Å; W35-K39 WeakPolarHBondContact O-CB 3.39Å; W35-K39 PolarHBondContact O-N 3.31Å; W35-Y151 HydrophobicContact CZ3-CD2 4.19Å; W35-Y151 AromaticContact CZ3-CE2 3.87Å; W35-Y151 HydrophobicContact CZ3-CE2 3.87Å; W35-F154 VanDerWaalsContact CH2-C 3.47Å; W35-F154 HydrophobicContact CH2-CB 3.75Å; W35-F154 HydrophobicContact CZ2-CB 4.18Å; W35-L155 HydrophobicContact CE3-CD1 3.8Å; W35-L155 HydrophobicContact CH2-CB 4.26Å; W35-L155 HydrophobicContact CZ3-CB 3.87Å; W35-L155 HydrophobicContact CZ3-CD1 3.5Å; W35-L155 VanDerWaalsContact CZ3-CD1 3.5Å; W35-L155 HydrophobicContact CZ3-CG 4.3Å; W35-E158 HydrophobicContact CZ2-CB 4.01Å; W35-F159 HydrophobicContact CB-CD2 3.74Å; W35-F159 HydrophobicContact CB-CE2 3.84Å; W35-F159 HydrophobicContact CD2-CB 4.07Å; W35-F159 AromaticContact CD2-CD2 3.64Å; W35-F159 HydrophobicContact CD2-CD2 3.64Å; W35-F159 HydrophobicContact CD2-CG 4.26Å; W35-F159 HydrophobicContact CE3-CB 4.12Å; W35-F159 HydrophobicContact CE3-CD2 4.01Å; W35-F159 HydrophobicContact CE3-CG 4.33Å; W35-F159 AromaticContact CG-CD2 3.5Å; W35-F159 HydrophobicContact CG-CD2 3.5Å; W35-F159 HydrophobicContact CG-CE2 4.12Å; W35-F159 HydrophobicContact CH2-CB 4.37Å; W35-F159 HydrophobicContact CZ2-CB 4.26Å; W35-F159 HydrophobicContact CZ3-CB 4.29Å
36	S	91.6	Very high	84.1	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64.8	-42.8	178.7	-71.6	0	0	0	0	112	A32 T33 N34 D38 K39 L40 A68 W83 Y151	A32-S36 VanDerWaalsContact O-CB 3.32Å; A32-S36 WeakPolarHBondContact O-CB 3.05Å; A32-S36 PolarHBondContact O-N 3.01Å; A32-S36 PolarHBondContact O-OG 3.25Å; T33-S36 PolarHBondContact O-N 3.03Å; N34-S36 VanDerWaalsContact C-N 3.33Å; N34-S36 PolarHBondContact O-N 2.75Å; S36-D38 PolarHBondContact O-N 3Å; S36-K39 PolarHBondContact O-N 2.98Å; S36-L40 VanDerWaalsContact O-CB 3.3Å; S36-L40 WeakPolarHBondContact O-CB 3.23Å; S36-L40 VanDerWaalsContact O-CG 3.28Å; S36-L40 WeakPolarHBondContact O-CG 3.49Å; S36-L40 PolarHBondContact O-N 3.05Å; S36-A68 WeakPolarHBondContact OG-CB 3.48Å; S36-W83 VanDerWaalsContact CB-CZ2 3.4Å; S36-Y151 VanDerWaalsContact CB-OH 3.3Å; S36-Y151 WeakPolarHBondContact CB-OH 3.32Å; S36-Y151 WeakPolarHBondContact OG-CE2 3.41Å; S36-Y151 PolarHBondContact OG-OH 3.47Å
37	S	89.8	Confident	86.2	Confident	15 Å²	15	59.5 Å²	59.5	11%	0.105	30%	0.303	C	S	.	.	H	α-helix	trans	-58.8	-47.6	175.9	-169.1	0	0	0	0	111.3	T33 N34 K41 L64	T33-S37 WeakPolarHBondContact O-CB 3.31Å; T33-S37 PolarHBondContact O-N 3.33Å; N34-S37 PolarHBondContact O-N 3.37Å; S37-K41 VanDerWaalsContact O-CG 3.3Å; S37-K41 WeakPolarHBondContact O-CG 3.43Å; S37-K41 PolarHBondContact O-N 3.48Å; S37-K41 VanDerWaalsContact O-N 3.07Å; S37-K41 PolarHBondContact OG-NZ 2.8Å; S37-L64 VanDerWaalsContact O-CD2 3.28Å; S37-L64 WeakPolarHBondContact O-CD2 3.44Å
38	D	86.8	Confident	88.2	Confident	96 Å²	96	56.3 Å²	56.3	51%	0.513	30%	0.3	S	S	.	.	H	α-helix	trans	-69	-41.2	-179.2	-69.8	-20.4	0	0	0	111.9	N34 W35 S36 K41 S42	N34-D38 PolarHBondContact O-N 3.22Å; W35-D38 PolarHBondContact O-N 3.35Å; S36-D38 PolarHBondContact O-N 3Å; D38-K41 PolarHBondContact O-N 3.24Å; D38-S42 WeakPolarHBondContact O-CB 3.3Å; D38-S42 PolarHBondContact O-N 3.1Å
39	K	91.6	Very high	89.6	Confident	37 Å²	37	54 Å²	54	16%	0.161	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-47.5	177.2	-167	73.7	175.8	-161.3	0	111.1	W35 S36 K41 S42 L43 Y151 F154 E158	W35-K39 HydrophobicContact CH2-CB 4.26Å; W35-K39 HydrophobicContact CH2-CD 4.43Å; W35-K39 HydrophobicContact CH2-CG 3.98Å; W35-K39 HydrophobicContact CZ2-CB 4.41Å; W35-K39 HydrophobicContact CZ2-CD 4.15Å; W35-K39 HydrophobicContact CZ2-CG 4.17Å; W35-K39 HydrophobicContact CZ3-CB 4.35Å; W35-K39 HydrophobicContact CZ3-CG 4.49Å; W35-K39 VanDerWaalsContact O-CB 3.3Å; W35-K39 WeakPolarHBondContact O-CB 3.39Å; W35-K39 PolarHBondContact O-N 3.31Å; S36-K39 PolarHBondContact O-N 2.98Å; K39-K41 VanDerWaalsContact C-N 3.35Å; K39-K41 PolarHBondContact O-N 3.22Å; K39-S42 PolarHBondContact O-N 2.92Å; K39-S42 VanDerWaalsContact O-N 3.16Å; K39-S42 PolarHBondContact O-OG 2.79Å; K39-L43 HydrophobicContact CG-CD1 4.03Å; K39-L43 VanDerWaalsContact O-CG 3.32Å; K39-L43 WeakPolarHBondContact O-CG 3.3Å; K39-L43 PolarHBondContact O-N 2.92Å; K39-Y151 HydrophobicContact CB-CD2 4.4Å; K39-Y151 HydrophobicContact CG-CD2 4.38Å; K39-F154 HydrophobicContact CD-CD2 4.48Å; K39-F154 VanDerWaalsContact CE-CG 3.4Å; K39-E158 IonicContact NZ-OE1 2.75Å; K39-E158 PolarHBondContact NZ-OE1 3.4Å; K39-E158 IonicContact NZ-OE2 3.3Å; K39-E158 PolarHBondContact NZ-OE2 3.36Å
40	L	93.6	Very high	90.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.4	-43.4	176.8	-77.2	167.5	0	0	0	111.9	S36 S42 L43 L44 L64 W83 L108 L148 Y151	S36-L40 VanDerWaalsContact O-CB 3.3Å; S36-L40 WeakPolarHBondContact O-CB 3.23Å; S36-L40 VanDerWaalsContact O-CG 3.28Å; S36-L40 WeakPolarHBondContact O-CG 3.49Å; S36-L40 PolarHBondContact O-N 3.05Å; L40-S42 PolarHBondContact O-N 2.95Å; L40-L43 PolarHBondContact O-N 3.03Å; L40-L44 WeakPolarHBondContact O-CG 3.41Å; L40-L44 PolarHBondContact O-N 2.71Å; L40-L64 HydrophobicContact CB-CD2 3.77Å; L40-L64 HydrophobicContact CD1-CD1 4.19Å; L40-L64 HydrophobicContact CD1-CD2 4.26Å; L40-W83 HydrophobicContact CD1-CD2 3.92Å; L40-W83 HydrophobicContact CD1-CG 3.86Å; L40-L108 HydrophobicContact CD1-CD2 4.47Å; L40-L108 HydrophobicContact CD2-CD2 4.11Å; L40-L148 HydrophobicContact CD2-CD2 3.51Å; L40-Y151 HydrophobicContact CD1-CD1 4.48Å; L40-Y151 HydrophobicContact CD1-CE1 4.34Å; L40-Y151 HydrophobicContact CD1-CE2 4.4Å; L40-Y151 HydrophobicContact CD2-CD1 3.73Å; L40-Y151 HydrophobicContact CD2-CD2 4.11Å; L40-Y151 HydrophobicContact CD2-CE1 4.38Å; L40-Y151 HydrophobicContact CD2-CG 3.57Å; L40-Y151 HydrophobicContact CG-CD1 4.21Å; L40-Y151 HydrophobicContact CG-CD2 3.89Å; L40-Y151 HydrophobicContact CG-CE2 4.21Å; L40-Y151 HydrophobicContact CG-CG 3.88Å
41	K	93.5	Very high	90.9	Very high	85 Å²	85	52.4 Å²	52.4	37%	0.37	29%	0.286	S	S	.	.	H	α-helix	trans	-59.6	-45.7	173.6	-73.4	169	-172.7	160.3	0	111.8	S37 D38 K39 L43 L44 L45 V61 L64	S37-K41 VanDerWaalsContact O-CG 3.3Å; S37-K41 WeakPolarHBondContact O-CG 3.43Å; S37-K41 PolarHBondContact O-N 3.48Å; S37-K41 VanDerWaalsContact O-N 3.07Å; S37-K41 PolarHBondContact OG-NZ 2.8Å; D38-K41 PolarHBondContact O-N 3.24Å; K39-K41 VanDerWaalsContact C-N 3.35Å; K39-K41 PolarHBondContact O-N 3.22Å; K41-L43 VanDerWaalsContact C-N 3.31Å; K41-L43 PolarHBondContact O-N 3.3Å; K41-L44 PolarHBondContact O-N 2.87Å; K41-L45 VanDerWaalsContact O-CB 3.28Å; K41-L45 WeakPolarHBondContact O-CB 3.2Å; K41-L45 PolarHBondContact O-N 2.93Å; K41-V61 HydrophobicContact CG-CB 4.21Å; K41-V61 HydrophobicContact CG-CG1 4.22Å; K41-L64 HydrophobicContact CG-CD2 4.05Å
42	S	91.3	Very high	91.1	Very high	77 Å²	77	53.6 Å²	53.6	54%	0.538	29%	0.293	S	S	.	.	H	α-helix	trans	-64.9	-33	-178.5	75.3	0	0	0	0	113.6	D38 K39 L40	D38-S42 WeakPolarHBondContact O-CB 3.3Å; D38-S42 PolarHBondContact O-N 3.1Å; K39-S42 PolarHBondContact O-N 2.92Å; K39-S42 VanDerWaalsContact O-N 3.16Å; K39-S42 PolarHBondContact O-OG 2.79Å; L40-S42 PolarHBondContact O-N 2.95Å
43	L	92.8	Very high	91	Very high	43 Å²	43	58.1 Å²	58.1	23%	0.225	31%	0.314	C	S	.	.	H	α-helix	trans	-77.7	-28.7	-178.9	-71.6	167.4	0	0	0	112.7	K39 L40 K41 A147 F154	K39-L43 HydrophobicContact CG-CD1 4.03Å; K39-L43 VanDerWaalsContact O-CG 3.32Å; K39-L43 WeakPolarHBondContact O-CG 3.3Å; K39-L43 PolarHBondContact O-N 2.92Å; L40-L43 PolarHBondContact O-N 3.03Å; K41-L43 VanDerWaalsContact C-N 3.31Å; K41-L43 PolarHBondContact O-N 3.3Å; L43-A147 HydrophobicContact CB-CB 4.33Å; L43-F154 HydrophobicContact CD1-CD2 4.3Å; L43-F154 HydrophobicContact CD1-CE2 4.49Å; L43-F154 HydrophobicContact CD2-CE2 3.99Å
44	L	93.9	Very high	91.2	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.021	31%	0.31	C	S	.	.	H	α-helix	trans	-94.7	-34.7	-176.2	-66.3	170.3	0	0	0	112.7	L40 K41 G46 L47 V58 V61 L85 I144 A147 L148	L40-L44 WeakPolarHBondContact O-CG 3.41Å; L40-L44 PolarHBondContact O-N 2.71Å; K41-L44 PolarHBondContact O-N 2.87Å; L44-G46 PolarHBondContact O-N 2.79Å; L44-L47 HydrophobicContact CD2-CD1 4.46Å; L44-L47 WeakPolarHBondContact O-CB 3.09Å; L44-L47 PolarHBondContact O-N 2.88Å; L44-L47 VanDerWaalsContact O-N 3.16Å; L44-V58 VanDerWaalsContact O-CB 3.24Å; L44-V58 WeakPolarHBondContact O-CB 3.16Å; L44-V58 WeakPolarHBondContact O-CG1 3.35Å; L44-V61 HydrophobicContact CB-CG2 4.06Å; L44-L85 HydrophobicContact CD1-CD1 3.15Å; L44-L85 HydrophobicContact CD1-CD2 4.12Å; L44-L85 HydrophobicContact CD1-CG 4.28Å; L44-I144 HydrophobicContact CD2-CG1 4.41Å; L44-I144 HydrophobicContact CD2-CG2 4.01Å; L44-A147 HydrophobicContact CD2-CB 4.2Å; L44-L148 HydrophobicContact CD1-CD2 4.17Å; L44-L148 HydrophobicContact CD2-CD2 4.43Å
45	L	93.3	Very high	91.6	Very high	101 Å²	101	53.8 Å²	53.8	53%	0.529	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	128	-179.1	-167.3	72	0	0	0	110.9	K41 L47 T59	K41-L45 VanDerWaalsContact O-CB 3.28Å; K41-L45 WeakPolarHBondContact O-CB 3.2Å; K41-L45 PolarHBondContact O-N 2.93Å; L45-L47 PolarHBondContact O-N 2.8Å; L45-T59 VanDerWaalsContact CD1-C 3.48Å; L45-T59 VanDerWaalsContact CD1-O 3.24Å; L45-T59 WeakPolarHBondContact CD1-O 3.4Å
46	G	89.8	Confident	92	Very high	35 Å²	35	51.2 Å²	51.2	36%	0.361	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	3.3	-177.2	0	0	0	0	0	114.2	L44 S48 V58	L44-G46 PolarHBondContact O-N 2.79Å; G46-S48 PolarHBondContact O-N 3Å; G46-V58 PolarHBondContact N-O 3.11Å
47	L	93.4	Very high	92.2	Very high	22 Å²	22	55.5 Å²	55.5	12%	0.115	31%	0.309	C	S	.	.			trans	-63.6	119.8	173	-173.3	156.7	0	0	0	109	L44 L45 E57 V58 K143 I144 A147	L44-L47 HydrophobicContact CD2-CD1 4.46Å; L44-L47 WeakPolarHBondContact O-CB 3.09Å; L44-L47 PolarHBondContact O-N 2.88Å; L44-L47 VanDerWaalsContact O-N 3.16Å; L45-L47 PolarHBondContact O-N 2.8Å; L47-E57 CarbonylContact O-C 3.49Å; L47-E57 WeakPolarHBondContact O-CA 3.45Å; L47-V58 HydrophobicContact CB-CB 4.44Å; L47-V58 HydrophobicContact CB-CG2 4.25Å; L47-V58 HydrophobicContact CD2-CG2 4.46Å; L47-V58 PolarHBondContact O-N 3.04Å; L47-K143 HydrophobicContact CD1-CB 4.2Å; L47-K143 HydrophobicContact CD2-CB 3.87Å; L47-K143 HydrophobicContact CD2-CD 4.23Å; L47-K143 HydrophobicContact CG-CB 4.36Å; L47-I144 HydrophobicContact CD1-CG1 4.27Å; L47-I144 HydrophobicContact CD2-CG1 4.3Å; L47-A147 HydrophobicContact CD1-CB 3.95Å
48	S	94.1	Very high	92.5	Very high	62 Å²	62	54.9 Å²	54.9	43%	0.434	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	149.6	-175.4	61.7	0	0	0	0	113.4	G46 C56 K143	G46-S48 PolarHBondContact O-N 3Å; S48-C56 CarbonylContact C-O 3.5Å; S48-C56 WeakPolarHBondContact CA-O 3.25Å; S48-C56 WeakPolarHBondContact CB-O 3.44Å; S48-K143 PolarHBondContact O-NZ 2.95Å
49	V	94.6	Very high	92.8	Very high	6 Å²	6	53 Å²	53	4%	0.036	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	142.1	172.9	-69	0	0	0	0	109.7	A55 C56 L135 M136 K139 K143	V49-A55 CarbonylContact O-C 3.58Å; V49-A55 WeakPolarHBondContact O-CA 3.47Å; V49-C56 HydrophobicContact CG2-CB 3.95Å; V49-C56 PolarHBondContact N-O 2.92Å; V49-C56 PolarHBondContact O-N 2.82Å; V49-L135 HydrophobicContact CG2-CD1 4.47Å; V49-L135 HydrophobicContact CG2-CD2 4.09Å; V49-L135 HydrophobicContact CG2-CG 3.96Å; V49-M136 HydrophobicContact CG2-SD 3.47Å; V49-M136 WeakPolarHBondContact CG2-SD 3.25Å; V49-K139 HydrophobicContact CG1-CB 4.33Å; V49-K143 HydrophobicContact CG1-CB 4.5Å; V49-K143 HydrophobicContact CG1-CD 3.69Å; V49-K143 HydrophobicContact CG1-CG 4.16Å
50	E	93.6	Very high	92.9	Very high	153 Å²	153	56.3 Å²	56.3	72%	0.715	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136	150.7	-179.3	61.8	-179.5	-170.2	0	0	111.3	G54 A55	E50-G54 WeakPolarHBondContact CA-O 3.08Å; E50-A55 HydrophobicContact CB-CB 4.19Å
51	N	90.5	Very high	93	Very high	58 Å²	58	57.4 Å²	57.4	31%	0.31	32%	0.319	S	S	.	.			trans	-156	-165.8	173.3	73.9	-10.9	0	0	0	110.6	E53 G54 L135	N51-E53 PolarHBondContact O-N 2.99Å; N51-E53 WeakPolarHBondContact OD1-CA 3.45Å; N51-E53 WeakPolarHBondContact OD1-CB 3.41Å; N51-E53 PolarHBondContact OD1-N 3.35Å; N51-G54 PolarHBondContact N-O 2.84Å; N51-G54 PolarHBondContact O-N 3.2Å; N51-G54 PolarHBondContact OD1-N 3.38Å; N51-G54 PolarHBondContact OD1-O 3.2Å; N51-L135 HydrophobicContact CB-CD1 3.92Å; N51-L135 HydrophobicContact CB-CD2 4.37Å; N51-L135 WeakPolarHBondContact OD1-CD2 3.27Å
52	D	88.8	Confident	92.8	Very high	128 Å²	128	56.7 Å²	56.7	68%	0.684	32%	0.324	S	S	*	.	S	Bend	trans	-68.8	-6.3	177.1	-76.9	-47.3	0	0	0	116.1	K94	D52-K94 VanDerWaalsContact C-NZ 3.32Å; D52-K94 WeakPolarHBondContact O-CD 3.48Å; D52-K94 WeakPolarHBondContact O-CE 3.31Å; D52-K94 PolarHBondContact O-NZ 3.49Å; D52-K94 IonicContact OD1-NZ 3.83Å; D52-K94 PolarHBondContact OD1-NZ 2.66Å
53	E	86.8	Confident	92.9	Very high	96 Å²	96	56.5 Å²	56.5	45%	0.449	31%	0.314	S	S	.	.	S	Bend	trans	-98.3	-27.8	177.9	-60.9	-66.7	163.7	0	0	111.3	N51 S93 K94 P131 L132	N51-E53 PolarHBondContact O-N 2.99Å; N51-E53 WeakPolarHBondContact OD1-CA 3.45Å; N51-E53 WeakPolarHBondContact OD1-CB 3.41Å; N51-E53 PolarHBondContact OD1-N 3.35Å; E53-S93 WeakPolarHBondContact O-CA 3.45Å; E53-K94 PolarHBondContact O-N 2.99Å; E53-P131 HydrophobicContact CB-CB 4.01Å; E53-P131 HydrophobicContact CG-CB 3.69Å; E53-L132 HydrophobicContact CB-CD2 4.14Å
54	G	91.9	Very high	92.9	Very high	10 Å²	10	55.7 Å²	55.7	10%	0.103	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156	-157	177.3	0	0	0	0	0	112.7	E50 N51 K92	E50-G54 WeakPolarHBondContact CA-O 3.08Å; N51-G54 PolarHBondContact N-O 2.84Å; N51-G54 PolarHBondContact O-N 3.2Å; N51-G54 PolarHBondContact OD1-N 3.38Å; N51-G54 PolarHBondContact OD1-O 3.2Å; G54-K92 VanDerWaalsContact CA-O 3.3Å; G54-K92 WeakPolarHBondContact CA-O 3.36Å
55	A	94.3	Very high	92.9	Very high	45 Å²	45	60.7 Å²	60.7	37%	0.372	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	138.8	179.7	0	0	0	0	0	110.8	V49 E50 G91 K92	V49-A55 CarbonylContact O-C 3.58Å; V49-A55 WeakPolarHBondContact O-CA 3.47Å; E50-A55 HydrophobicContact CB-CB 4.19Å; A55-G91 CarbonylContact O-C 3.58Å; A55-G91 VanDerWaalsContact O-CA 3.3Å; A55-G91 WeakPolarHBondContact O-CA 3.24Å; A55-K92 PolarHBondContact N-O 2.88Å; A55-K92 PolarHBondContact O-N 3.24Å
56	C	95.2	Very high	92.8	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.014	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145.4	175	-60.3	0	0	0	0	110.1	S48 V49 W89 T90 M136	S48-C56 CarbonylContact C-O 3.5Å; S48-C56 WeakPolarHBondContact CA-O 3.25Å; S48-C56 WeakPolarHBondContact CB-O 3.44Å; V49-C56 HydrophobicContact CG2-CB 3.95Å; V49-C56 PolarHBondContact N-O 2.92Å; V49-C56 PolarHBondContact O-N 2.82Å; C56-W89 HydrophobicContact CB-CE3 4Å; C56-W89 HydrophobicContact CB-CZ3 4.26Å; C56-T90 CarbonylContact C-O 3.6Å; C56-T90 VanDerWaalsContact CA-O 3.31Å; C56-T90 WeakPolarHBondContact CA-O 3.21Å; C56-M136 HydrophobicContact CB-CG 3.61Å; C56-M136 HydrophobicContact CB-SD 3.41Å; C56-M136 WeakPolarHBondContact CB-SD 3.38Å
57	E	95.9	Very high	92.9	Very high	91 Å²	91	62.4 Å²	62.4	43%	0.425	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	138.5	-178.6	-175.2	-176.8	166.2	0	0	110.4	L47 T59 W89 T90	L47-E57 CarbonylContact O-C 3.49Å; L47-E57 WeakPolarHBondContact O-CA 3.45Å; E57-T59 PolarHBondContact O-N 3.15Å; E57-W89 CarbonylContact O-C 3.52Å; E57-W89 WeakPolarHBondContact O-CA 3.22Å; E57-W89 WeakPolarHBondContact O-CB 3.33Å; E57-T90 PolarHBondContact N-O 3.28Å; E57-T90 PolarHBondContact O-N 2.83Å
58	V	96.2	Very high	92.9	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.006	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	113.6	169.9	-179.9	0	0	0	0	109.2	L44 G46 L47 A87 I103	L44-V58 VanDerWaalsContact O-CB 3.24Å; L44-V58 WeakPolarHBondContact O-CB 3.16Å; L44-V58 WeakPolarHBondContact O-CG1 3.35Å; G46-V58 PolarHBondContact N-O 3.11Å; L47-V58 HydrophobicContact CB-CB 4.44Å; L47-V58 HydrophobicContact CB-CG2 4.25Å; L47-V58 HydrophobicContact CD2-CG2 4.46Å; L47-V58 PolarHBondContact O-N 3.04Å; V58-A87 HydrophobicContact CG1-CB 4.16Å; V58-I103 HydrophobicContact CG2-CD1 3.72Å
59	T	93.8	Very high	92.5	Very high	57 Å²	57	59.4 Å²	59.4	35%	0.35	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-18.1	-172.5	54.6	0	0	0	0	113.8	L45 E57 T88 T90	L45-T59 VanDerWaalsContact CD1-C 3.48Å; L45-T59 VanDerWaalsContact CD1-O 3.24Å; L45-T59 WeakPolarHBondContact CD1-O 3.4Å; E57-T59 PolarHBondContact O-N 3.15Å; T59-T88 PolarHBondContact N-O 2.82Å; T59-T88 PolarHBondContact OG1-O 2.86Å; T59-T90 HydrophobicContact CG2-CG2 3.62Å; T59-T90 VanDerWaalsContact CG2-OG1 3.25Å; T59-T90 WeakPolarHBondContact CG2-OG1 3.42Å
60	E	94.3	Very high	92.3	Very high	107 Å²	107	59.2 Å²	59.2	50%	0.5	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	143.4	-176.3	-173.1	-179.2	-175.7	0	0	110.9	A87 T88	E60-A87 CarbonylContact O-C 3.53Å; E60-A87 WeakPolarHBondContact O-CA 3.33Å; E60-A87 VanDerWaalsContact O-CB 3.24Å; E60-A87 WeakPolarHBondContact O-CB 3.41Å; E60-T88 PolarHBondContact N-O 2.81Å; E60-T88 PolarHBondContact O-N 3.43Å
61	V	94.4	Very high	91.7	Very high	23 Å²	23	52 Å²	52	14%	0.139	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	92.5	166.6	-176.8	0	0	0	0	107.7	K41 L44 L64 L85 K86 A87	K41-V61 HydrophobicContact CG-CB 4.21Å; K41-V61 HydrophobicContact CG-CG1 4.22Å; L44-V61 HydrophobicContact CB-CG2 4.06Å; V61-L64 HydrophobicContact CG1-CB 4.42Å; V61-L85 HydrophobicContact CG1-CD1 4.12Å; V61-L85 HydrophobicContact CG1-CG 4.38Å; V61-K86 CarbonylContact C-O 3.57Å; V61-A87 HydrophobicContact CG2-CB 4.36Å
62	S	90.4	Very high	91.1	Very high	69 Å²	69	49.3 Å²	49.3	48%	0.483	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	-28.9	-171.2	54.6	0	0	0	0	113.9	K86	S62-K86 PolarHBondContact N-O 3.01Å; S62-K86 PolarHBondContact OG-O 3.29Å; S62-K86 VanDerWaalsContact OG-O 3.06Å
63	K	92.3	Very high	90.5	Very high	74 Å²	74	49.9 Å²	49.9	32%	0.322	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	130.4	-177.8	-165.1	178.9	-179.6	-176.9	0	109.9	E65 L85 K86	K63-E65 WeakPolarHBondContact CE-OE1 3.48Å; K63-E65 WeakPolarHBondContact CE-OE2 3.28Å; K63-E65 HydrophobicContact CG-CG 4.22Å; K63-E65 IonicContact NZ-OE1 2.93Å; K63-E65 PolarHBondContact NZ-OE1 3.12Å; K63-E65 IonicContact NZ-OE2 3.03Å; K63-E65 PolarHBondContact NZ-OE2 3.36Å; K63-L85 CarbonylContact O-C 3.57Å; K63-L85 WeakPolarHBondContact O-CA 3.42Å; K63-K86 HydrophobicContact CB-CB 3.73Å; K63-K86 HydrophobicContact CB-CD 4.43Å; K63-K86 HydrophobicContact CB-CG 3.98Å; K63-K86 HydrophobicContact CD-CD 4.14Å; K63-K86 HydrophobicContact CD-CG 4.24Å; K63-K86 PolarHBondContact N-O 3.09Å; K63-K86 PolarHBondContact O-N 3.24Å
64	L	93.8	Very high	89.8	Confident	26 Å²	26	51.2 Å²	51.2	14%	0.136	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	89	172.1	-172.8	53	0	0	0	108.4	S37 L40 K41 V61 W83 L85	S37-L64 VanDerWaalsContact O-CD2 3.28Å; S37-L64 WeakPolarHBondContact O-CD2 3.44Å; L40-L64 HydrophobicContact CB-CD2 3.77Å; L40-L64 HydrophobicContact CD1-CD1 4.19Å; L40-L64 HydrophobicContact CD1-CD2 4.26Å; K41-L64 HydrophobicContact CG-CD2 4.05Å; V61-L64 HydrophobicContact CG1-CB 4.42Å; L64-W83 HydrophobicContact CD1-CB 4.34Å; L64-W83 HydrophobicContact CD1-CD2 4.25Å; L64-W83 HydrophobicContact CD1-CE3 3.66Å; L64-W83 HydrophobicContact CD1-CZ3 4.38Å; L64-W83 HydrophobicContact CG-CE3 3.78Å; L64-W83 HydrophobicContact CG-CZ3 4Å; L64-L85 HydrophobicContact CD1-CB 4.04Å; L64-L85 HydrophobicContact CD1-CD1 3.88Å; L64-L85 HydrophobicContact CD1-CG 4.33Å
65	E	93.1	Very high	88.6	Confident	109 Å²	109	52.1 Å²	52.1	51%	0.509	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.5	-178.3	-76	179.5	-175.7	0	0	109.4	K63 W83 N84	K63-E65 WeakPolarHBondContact CE-OE1 3.48Å; K63-E65 WeakPolarHBondContact CE-OE2 3.28Å; K63-E65 HydrophobicContact CG-CG 4.22Å; K63-E65 IonicContact NZ-OE1 2.93Å; K63-E65 PolarHBondContact NZ-OE1 3.12Å; K63-E65 IonicContact NZ-OE2 3.03Å; K63-E65 PolarHBondContact NZ-OE2 3.36Å; E65-W83 CarbonylContact O-C 3.55Å; E65-N84 PolarHBondContact N-O 3.34Å; E65-N84 PolarHBondContact O-N 2.92Å
66	G	92.7	Very high	87.7	Confident	36 Å²	36	57.6 Å²	57.6	37%	0.371	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	156.8	-178.4	-174.2	0	0	0	0	0	111.4	E82	G66-E82 CarbonylContact C-O 3.33Å; G66-E82 WeakPolarHBondContact CA-O 3.15Å
67	E	91.3	Very high	87.1	Confident	136 Å²	136	59.3 Å²	59.3	64%	0.636	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.4	156.4	177.5	61.4	-174.5	-171.3	0	0	110.5	T33 Y81 E82	T33-E67 WeakPolarHBondContact OG1-CA 3.2Å; E67-Y81 VanDerWaalsContact O-CA 3.3Å; E67-Y81 WeakPolarHBondContact O-CA 3.5Å; E67-E82 PolarHBondContact N-O 3.11Å; E67-E82 PolarHBondContact O-N 2.85Å
68	A	92.9	Very high	86.5	Confident	1 Å²	1	58 Å²	58	1%	0.008	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	131.1	169.9	0	0	0	0	0	108.8	A32 T33 S36 F80 W83	A32-A68 CarbonylContact C-O 3.47Å; A32-A68 WeakPolarHBondContact CA-O 2.82Å; A32-A68 HydrophobicContact CB-CB 3.98Å; A32-A68 PolarHBondContact N-O 2.67Å; T33-A68 PolarHBondContact N-O 2.85Å; T33-A68 VanDerWaalsContact N-O 3.12Å; T33-A68 PolarHBondContact OG1-N 3.42Å; T33-A68 PolarHBondContact OG1-O 2.8Å; S36-A68 WeakPolarHBondContact OG-CB 3.48Å; A68-F80 CarbonylContact C-O 3.5Å; A68-F80 VanDerWaalsContact CA-O 3.26Å; A68-F80 WeakPolarHBondContact CA-O 3.42Å; A68-W83 HydrophobicContact CB-CZ2 3.99Å
69	S	86.8	Confident	86.1	Confident	20 Å²	20	59.9 Å²	59.9	14%	0.14	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	150.4	172	84	0	0	0	0	111.3	E29 R30 F80	E29-S69 VanDerWaalsContact OE1-CB 3.25Å; E29-S69 WeakPolarHBondContact OE1-CB 3.35Å; E29-S69 PolarHBondContact OE1-OG 2.8Å; R30-S69 WeakPolarHBondContact O-CA 3.16Å; S69-F80 PolarHBondContact N-O 3Å; S69-F80 PolarHBondContact O-N 3.08Å; S69-F80 VanDerWaalsContact O-O 3.07Å
70	I	88.6	Confident	85.9	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	125	179	-52.6	-179.2	0	0	0	108.6	R30 A32 L77 I78 F79 L155 F159 T160 M163	R30-I70 PolarHBondContact N-O 2.79Å; R30-I70 PolarHBondContact O-N 3.01Å; A32-I70 HydrophobicContact CB-CG1 4.41Å; I70-L77 HydrophobicContact CG2-CB 4.27Å; I70-L77 HydrophobicContact CG2-CD2 4.11Å; I70-I78 WeakPolarHBondContact CA-O 3.49Å; I70-F79 HydrophobicContact CD1-CD1 3.74Å; I70-F79 HydrophobicContact CD1-CE1 3.73Å; I70-F79 HydrophobicContact CG1-CD1 3.87Å; I70-F79 HydrophobicContact CG1-CE1 4.3Å; I70-F79 HydrophobicContact CG2-CD1 4.25Å; I70-F79 HydrophobicContact CG2-CE1 4.25Å; I70-L155 HydrophobicContact CD1-CD1 3.87Å; I70-L155 HydrophobicContact CD1-CG 4.1Å; I70-F159 HydrophobicContact CD1-CD1 3.27Å; I70-F159 HydrophobicContact CD1-CE1 3.71Å; I70-F159 HydrophobicContact CD1-CG 4.22Å; I70-F159 HydrophobicContact CG1-CD1 4.28Å; I70-F159 HydrophobicContact CG1-CE1 4.27Å; I70-T160 HydrophobicContact CD1-CG2 3.67Å; I70-T160 HydrophobicContact CG2-CG2 4.3Å; I70-M163 HydrophobicContact CB-CE 3.88Å; I70-M163 HydrophobicContact CB-SD 4.34Å; I70-M163 HydrophobicContact CD1-SD 4.39Å; I70-M163 HydrophobicContact CG2-CE 3.73Å; I70-M163 HydrophobicContact CG2-SD 4.2Å
71	N	82.6	Confident	85.8	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.016	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.4	-178.5	-72.4	-67.8	0	0	0	110.3	W27 T28 E29 L77 I78 F80	W27-N71 HydrophobicContact CH2-CB 3.87Å; W27-N71 HydrophobicContact CZ2-CB 3.5Å; W27-N71 VanDerWaalsContact CZ2-OD1 3.23Å; W27-N71 WeakPolarHBondContact CZ2-OD1 3.35Å; W27-N71 PolarHBondContact NE1-OD1 2.88Å; T28-N71 WeakPolarHBondContact O-CA 3.43Å; E29-N71 WeakPolarHBondContact CA-OD1 3.21Å; E29-N71 WeakPolarHBondContact CB-OD1 3.41Å; E29-N71 VanDerWaalsContact CG-OD1 3.31Å; E29-N71 WeakPolarHBondContact CG-OD1 3.4Å; N71-L77 CarbonylContact O-C 3.54Å; N71-L77 WeakPolarHBondContact O-CA 3.45Å; N71-I78 HydrophobicContact CB-CB 4.33Å; N71-I78 PolarHBondContact N-O 3.2Å; N71-I78 PolarHBondContact O-N 2.71Å; N71-F80 HydrophobicContact CB-CE2 4.42Å; N71-F80 VanDerWaalsContact ND2-CD2 3.26Å; N71-F80 WeakPolarHBondContact ND2-CD2 3.35Å; N71-F80 VanDerWaalsContact ND2-CE2 3.3Å; N71-F80 WeakPolarHBondContact ND2-CE2 3.35Å
72	N	78.1	Confident	85.7	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.5	169.6	-177.8	-6	0	0	0	109.6	T28 G75 L77 M163	T28-N72 PolarHBondContact N-O 2.9Å; T28-N72 PolarHBondContact O-N 3Å; N72-G75 WeakPolarHBondContact OD1-CA 3.34Å; N72-G75 PolarHBondContact OD1-N 3.27Å; N72-L77 HydrophobicContact CB-CD2 3.84Å; N72-M163 PolarHBondContact ND2-O 2.89Å
73	R	74.6	Confident	85.9	Confident	141 Å²	141	57.6 Å²	57.6	53%	0.532	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	118.8	171.8	-175.3	176.4	-175	-174.6	4.1	110	W27 G75 K76	W27-R73 HydrophobicContact CE3-CB 4.14Å; W27-R73 HydrophobicContact CE3-CG 4.36Å; W27-R73 HydrophobicContact CZ3-CB 4.18Å; R73-G75 PolarHBondContact O-N 2.92Å; R73-K76 PolarHBondContact N-O 2.85Å; R73-K76 PolarHBondContact O-N 3.06Å
74	K	73.4	Confident	85.9	Confident	124 Å²	124	57 Å²	57	54%	0.539	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	36.5	178.1	-59	-178.2	175.4	-174.8	0	112.8	N24 W25 K76	N24-K74 PolarHBondContact O-N 2.96Å; N24-K74 VanDerWaalsContact O-N 3.08Å; W25-K74 HydrophobicContact CE3-CG 4.29Å; W25-K74 HydrophobicContact CZ3-CD 4.25Å; W25-K74 HydrophobicContact CZ3-CG 4.39Å; K74-K76 PolarHBondContact O-N 2.94Å
75	G	65.8	Low	86	Confident	29 Å²	29	55.9 Å²	55.9	30%	0.299	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	8.6	-178.8	0	0	0	0	0	114.7	N72 R73	N72-G75 WeakPolarHBondContact OD1-CA 3.34Å; N72-G75 PolarHBondContact OD1-N 3.27Å; R73-G75 PolarHBondContact O-N 2.92Å
76	K	76.1	Confident	86.2	Confident	160 Å²	160	54.3 Å²	54.3	70%	0.696	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.8	126.5	169.3	-64.4	-171.6	178	-171.4	0	109.2	R73 K74	R73-K76 PolarHBondContact N-O 2.85Å; R73-K76 PolarHBondContact O-N 3.06Å; K74-K76 PolarHBondContact O-N 2.94Å
77	L	81.5	Confident	86.3	Confident	38 Å²	38	52.7 Å²	52.7	20%	0.199	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	130.5	172.1	-61.5	173.3	0	0	0	109.3	I70 N71 N72 F79 T160 M163 I164	I70-L77 HydrophobicContact CG2-CB 4.27Å; I70-L77 HydrophobicContact CG2-CD2 4.11Å; N71-L77 CarbonylContact O-C 3.54Å; N71-L77 WeakPolarHBondContact O-CA 3.45Å; N72-L77 HydrophobicContact CB-CD2 3.84Å; L77-F79 HydrophobicContact CB-CE2 3.86Å; L77-F79 HydrophobicContact CB-CZ 3.99Å; L77-F79 HydrophobicContact CD1-CZ 4.4Å; L77-T160 HydrophobicContact CD1-CG2 3.59Å; L77-M163 HydrophobicContact CD2-CB 4.13Å; L77-M163 HydrophobicContact CD2-CE 4.29Å; L77-I164 HydrophobicContact CD1-CD1 3.91Å; L77-I164 HydrophobicContact CD1-CG1 4.09Å; L77-I164 HydrophobicContact CD2-CG1 4.15Å; L77-I164 HydrophobicContact CG-CD1 3.97Å; L77-I164 HydrophobicContact CG-CG1 4.05Å
78	I	83.2	Confident	86.6	Confident	63 Å²	63	47.7 Å²	47.7	32%	0.323	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.5	176.1	-52	173.3	0	0	0	105.9	I70 N71 F80	I70-I78 WeakPolarHBondContact CA-O 3.49Å; N71-I78 HydrophobicContact CB-CB 4.33Å; N71-I78 PolarHBondContact N-O 3.2Å; N71-I78 PolarHBondContact O-N 2.71Å; I78-F80 HydrophobicContact CB-CE2 4.23Å; I78-F80 HydrophobicContact CG2-CD2 4.31Å; I78-F80 HydrophobicContact CG2-CE1 4.3Å; I78-F80 HydrophobicContact CG2-CE2 3.52Å; I78-F80 HydrophobicContact CG2-CZ 3.52Å
79	F	88.1	Confident	86.8	Confident	40 Å²	40	47.6 Å²	47.6	18%	0.175	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	130.4	-176.1	-57.7	-99.8	0	0	0	107.6	I70 L77 L155 K156 T160	I70-F79 HydrophobicContact CD1-CD1 3.74Å; I70-F79 HydrophobicContact CD1-CE1 3.73Å; I70-F79 HydrophobicContact CG1-CD1 3.87Å; I70-F79 HydrophobicContact CG1-CE1 4.3Å; I70-F79 HydrophobicContact CG2-CD1 4.25Å; I70-F79 HydrophobicContact CG2-CE1 4.25Å; L77-F79 HydrophobicContact CB-CE2 3.86Å; L77-F79 HydrophobicContact CB-CZ 3.99Å; L77-F79 HydrophobicContact CD1-CZ 4.4Å; F79-L155 HydrophobicContact CD1-CD2 3.95Å; F79-L155 HydrophobicContact CD1-CG 3.97Å; F79-L155 HydrophobicContact CE1-CG 4.31Å; F79-K156 HydrophobicContact CD1-CG 4.37Å; F79-K156 HydrophobicContact CE1-CB 4.34Å; F79-K156 HydrophobicContact CE1-CG 3.74Å; F79-K156 HydrophobicContact CE2-CG 4.04Å; F79-K156 HydrophobicContact CZ-CB 4.17Å; F79-K156 HydrophobicContact CZ-CG 3.58Å; F79-T160 HydrophobicContact CE1-CG2 3.53Å; F79-T160 HydrophobicContact CZ-CG2 3.76Å
80	F	89.3	Confident	87.2	Confident	89 Å²	89	48.8 Å²	48.8	39%	0.39	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.5	168.3	-62.7	-77.2	0	0	0	106.8	A68 S69 N71 I78 D110	A68-F80 CarbonylContact C-O 3.5Å; A68-F80 VanDerWaalsContact CA-O 3.26Å; A68-F80 WeakPolarHBondContact CA-O 3.42Å; S69-F80 PolarHBondContact N-O 3Å; S69-F80 PolarHBondContact O-N 3.08Å; S69-F80 VanDerWaalsContact O-O 3.07Å; N71-F80 HydrophobicContact CB-CE2 4.42Å; N71-F80 VanDerWaalsContact ND2-CD2 3.26Å; N71-F80 WeakPolarHBondContact ND2-CD2 3.35Å; N71-F80 VanDerWaalsContact ND2-CE2 3.3Å; N71-F80 WeakPolarHBondContact ND2-CE2 3.35Å; I78-F80 HydrophobicContact CB-CE2 4.23Å; I78-F80 HydrophobicContact CG2-CD2 4.31Å; I78-F80 HydrophobicContact CG2-CE1 4.3Å; I78-F80 HydrophobicContact CG2-CE2 3.52Å; I78-F80 HydrophobicContact CG2-CZ 3.52Å; F80-D110 WeakPolarHBondContact CA-OD1 3.29Å
81	Y	92.2	Very high	87.5	Confident	22 Å²	22	48.9 Å²	48.9	9%	0.086	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	145.3	170.4	62.1	-92.3	0	0	0	109.6	E67 L108 S109 D110 Y151 V152 L155	E67-Y81 VanDerWaalsContact O-CA 3.3Å; E67-Y81 WeakPolarHBondContact O-CA 3.5Å; Y81-L108 HydrophobicContact CE2-CD1 4.33Å; Y81-L108 HydrophobicContact CE2-CG 4.29Å; Y81-S109 VanDerWaalsContact CE2-CA 3.49Å; Y81-S109 VanDerWaalsContact CE2-O 3.27Å; Y81-S109 WeakPolarHBondContact CE2-O 3.5Å; Y81-S109 VanDerWaalsContact CZ-C 3.49Å; Y81-S109 CarbonylContact O-C 3.55Å; Y81-S109 WeakPolarHBondContact O-CA 3.22Å; Y81-S109 VanDerWaalsContact O-CB 3.27Å; Y81-S109 WeakPolarHBondContact O-CB 3.11Å; Y81-S109 PolarHBondContact OH-O 3.33Å; Y81-D110 HydrophobicContact CD1-CB 3.88Å; Y81-D110 HydrophobicContact CE1-CB 3.58Å; Y81-D110 PolarHBondContact N-OD1 2.83Å; Y81-D110 PolarHBondContact O-N 2.78Å; Y81-D110 VanDerWaalsContact O-N 3.12Å; Y81-Y151 HydrophobicContact CD2-CE1 4.35Å; Y81-V152 HydrophobicContact CE1-CG2 4.14Å; Y81-V152 HydrophobicContact CE2-CG2 4.33Å; Y81-L155 HydrophobicContact CD1-CD2 4.03Å
82	E	92.6	Very high	88	Confident	95 Å²	95	54.3 Å²	54.3	44%	0.444	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	125.9	171.7	-174.5	-179.8	165.9	0	0	108	G66 E67 L108	G66-E82 CarbonylContact C-O 3.33Å; G66-E82 WeakPolarHBondContact CA-O 3.15Å; E67-E82 PolarHBondContact N-O 3.11Å; E67-E82 PolarHBondContact O-N 2.85Å; E82-L108 CarbonylContact C-O 3.43Å; E82-L108 WeakPolarHBondContact CA-O 3.33Å
83	W	94.6	Very high	88.6	Confident	3 Å²	3	55 Å²	55	1%	0.011	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	138.4	-178.1	-64.3	96.7	0	0	0	111.7	T33 S36 L40 L64 E65 A68 N107 L108 Y151	T33-W83 HydrophobicContact CG2-CH2 3.78Å; T33-W83 HydrophobicContact CG2-CZ2 4.46Å; T33-W83 VanDerWaalsContact O-CH2 3.3Å; T33-W83 WeakPolarHBondContact O-CH2 3.31Å; S36-W83 VanDerWaalsContact CB-CZ2 3.4Å; L40-W83 HydrophobicContact CD1-CD2 3.92Å; L40-W83 HydrophobicContact CD1-CG 3.86Å; L64-W83 HydrophobicContact CD1-CB 4.34Å; L64-W83 HydrophobicContact CD1-CD2 4.25Å; L64-W83 HydrophobicContact CD1-CE3 3.66Å; L64-W83 HydrophobicContact CD1-CZ3 4.38Å; L64-W83 HydrophobicContact CG-CE3 3.78Å; L64-W83 HydrophobicContact CG-CZ3 4Å; E65-W83 CarbonylContact O-C 3.55Å; A68-W83 HydrophobicContact CB-CZ2 3.99Å; W83-N107 PolarHBondContact O-N 3.4Å; W83-L108 HydrophobicContact CB-CB 4.13Å; W83-L108 HydrophobicContact CB-CD2 4.22Å; W83-L108 HydrophobicContact CB-CG 4.44Å; W83-L108 PolarHBondContact N-O 3.16Å; W83-L108 PolarHBondContact O-N 3.38Å; W83-Y151 PolarHBondContact NE1-OH 3.41Å
84	N	93.7	Very high	89.2	Confident	60 Å²	60	55 Å²	55	32%	0.321	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	115.4	166.5	-71	-70.6	0	0	0	108.5	E65 P106 N107	E65-N84 PolarHBondContact N-O 3.34Å; E65-N84 PolarHBondContact O-N 2.92Å; N84-P106 WeakPolarHBondContact OD1-CA 3.35Å; N84-N107 PolarHBondContact OD1-N 3.38Å
85	L	95	Very high	89.8	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.3	-173.4	-179.9	137.8	0	0	0	111.4	L44 V61 K63 L64 A87 E104 V105	L44-L85 HydrophobicContact CD1-CD1 3.15Å; L44-L85 HydrophobicContact CD1-CD2 4.12Å; L44-L85 HydrophobicContact CD1-CG 4.28Å; V61-L85 HydrophobicContact CG1-CD1 4.12Å; V61-L85 HydrophobicContact CG1-CG 4.38Å; K63-L85 CarbonylContact O-C 3.57Å; K63-L85 WeakPolarHBondContact O-CA 3.42Å; L64-L85 HydrophobicContact CD1-CB 4.04Å; L64-L85 HydrophobicContact CD1-CD1 3.88Å; L64-L85 HydrophobicContact CD1-CG 4.33Å; L85-A87 HydrophobicContact CD2-CB 4.23Å; L85-E104 WeakPolarHBondContact O-CA 3.15Å; L85-V105 HydrophobicContact CB-CB 4.29Å; L85-V105 HydrophobicContact CD2-CB 4.4Å; L85-V105 HydrophobicContact CD2-CG2 4.13Å; L85-V105 PolarHBondContact N-O 3.19Å; L85-V105 PolarHBondContact O-N 3.14Å
86	K	96.4	Very high	90.7	Very high	75 Å²	75	55 Å²	55	33%	0.326	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134	163.5	-51.6	-168.4	172.6	-151.1	0	110.5	V61 S62 K63 I103 E104	V61-K86 CarbonylContact C-O 3.57Å; S62-K86 PolarHBondContact N-O 3.01Å; S62-K86 PolarHBondContact OG-O 3.29Å; S62-K86 VanDerWaalsContact OG-O 3.06Å; K63-K86 HydrophobicContact CB-CB 3.73Å; K63-K86 HydrophobicContact CB-CD 4.43Å; K63-K86 HydrophobicContact CB-CG 3.98Å; K63-K86 HydrophobicContact CD-CD 4.14Å; K63-K86 HydrophobicContact CD-CG 4.24Å; K63-K86 PolarHBondContact N-O 3.09Å; K63-K86 PolarHBondContact O-N 3.24Å; K86-I103 CarbonylContact C-O 3.55Å; K86-I103 VanDerWaalsContact CA-O 3.29Å; K86-I103 WeakPolarHBondContact CA-O 3.41Å; K86-E104 HydrophobicContact CD-CG 4.16Å; K86-E104 WeakPolarHBondContact CD-OE1 3.41Å; K86-E104 VanDerWaalsContact CE-CD 3.49Å; K86-E104 VanDerWaalsContact CE-OE1 3.31Å; K86-E104 WeakPolarHBondContact CE-OE1 3.33Å; K86-E104 HydrophobicContact CG-CG 4.03Å; K86-E104 IonicContact NZ-OE1 2.6Å; K86-E104 PolarHBondContact NZ-OE1 3.43Å; K86-E104 IonicContact NZ-OE2 3.47Å; K86-E104 PolarHBondContact NZ-OE2 3.43Å
87	A	96.6	Very high	91.4	Very high	3 Å²	3	50.6 Å²	50.6	3%	0.025	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	160.3	179.6	0	0	0	0	0	111.2	V58 E60 V61 L85 S102 I103	V58-A87 HydrophobicContact CG1-CB 4.16Å; E60-A87 CarbonylContact O-C 3.53Å; E60-A87 WeakPolarHBondContact O-CA 3.33Å; E60-A87 VanDerWaalsContact O-CB 3.24Å; E60-A87 WeakPolarHBondContact O-CB 3.41Å; V61-A87 HydrophobicContact CG2-CB 4.36Å; L85-A87 HydrophobicContact CD2-CB 4.23Å; A87-S102 CarbonylContact O-C 3.31Å; A87-S102 WeakPolarHBondContact O-CA 3.31Å; A87-I103 HydrophobicContact CB-CB 4.27Å; A87-I103 HydrophobicContact CB-CD1 4.46Å; A87-I103 PolarHBondContact N-O 2.94Å; A87-I103 PolarHBondContact O-N 3.11Å
88	T	96.6	Very high	91.9	Very high	30 Å²	30	56.4 Å²	56.4	18%	0.184	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135.7	176.4	-53.6	0	0	0	0	108.8	T59 E60 G101	T59-T88 PolarHBondContact N-O 2.82Å; T59-T88 PolarHBondContact OG1-O 2.86Å; E60-T88 PolarHBondContact N-O 2.81Å; E60-T88 PolarHBondContact O-N 3.43Å; T88-G101 WeakPolarHBondContact CA-O 3.24Å; T88-G101 WeakPolarHBondContact CG2-O 3.46Å
89	W	96.7	Very high	92.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	151.4	172	67.4	-84.7	0	0	0	110.9	C56 E57 K100 G101 I103 S122 L123 L132 V133 M136	C56-W89 HydrophobicContact CB-CE3 4Å; C56-W89 HydrophobicContact CB-CZ3 4.26Å; E57-W89 CarbonylContact O-C 3.52Å; E57-W89 WeakPolarHBondContact O-CA 3.22Å; E57-W89 WeakPolarHBondContact O-CB 3.33Å; W89-K100 WeakPolarHBondContact O-CA 3.39Å; W89-G101 VanDerWaalsContact CD1-O 3.32Å; W89-G101 PolarHBondContact N-O 2.85Å; W89-G101 VanDerWaalsContact NE1-C 3.27Å; W89-G101 VanDerWaalsContact NE1-CA 3.33Å; W89-G101 PolarHBondContact O-N 2.92Å; W89-I103 HydrophobicContact CB-CD1 4.04Å; W89-I103 HydrophobicContact CG-CD1 4.31Å; W89-S122 PolarHBondContact NE1-O 3.41Å; W89-L123 HydrophobicContact CH2-CD2 3.68Å; W89-L123 HydrophobicContact CZ2-CD2 3.71Å; W89-L123 HydrophobicContact CZ2-CG 4.4Å; W89-L132 HydrophobicContact CH2-CB 4.41Å; W89-L132 HydrophobicContact CZ3-CB 4.39Å; W89-V133 HydrophobicContact CZ2-CB 4.48Å; W89-V133 HydrophobicContact CZ2-CG2 4.23Å; W89-M136 HydrophobicContact CB-CE 4.03Å; W89-M136 HydrophobicContact CD2-CE 4.37Å; W89-M136 HydrophobicContact CD2-CG 3.9Å; W89-M136 HydrophobicContact CE3-CG 3.82Å; W89-M136 HydrophobicContact CG-CE 3.98Å; W89-M136 HydrophobicContact CG-CG 4.5Å; W89-M136 HydrophobicContact CH2-CG 4.33Å; W89-M136 HydrophobicContact CZ2-CG 4.4Å; W89-M136 HydrophobicContact CZ3-CG 4.04Å
90	T	95.7	Very high	92.8	Very high	45 Å²	45	58.2 Å²	58.2	28%	0.276	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140.1	171.3	69.5	0	0	0	0	109.8	C56 E57 T59 Y99 K100	C56-T90 CarbonylContact C-O 3.6Å; C56-T90 VanDerWaalsContact CA-O 3.31Å; C56-T90 WeakPolarHBondContact CA-O 3.21Å; E57-T90 PolarHBondContact N-O 3.28Å; E57-T90 PolarHBondContact O-N 2.83Å; T59-T90 HydrophobicContact CG2-CG2 3.62Å; T59-T90 VanDerWaalsContact CG2-OG1 3.25Å; T59-T90 WeakPolarHBondContact CG2-OG1 3.42Å; T90-Y99 CarbonylContact C-O 3.49Å; T90-Y99 VanDerWaalsContact CA-O 3.27Å; T90-Y99 WeakPolarHBondContact CA-O 3.38Å; T90-K100 HydrophobicContact CG2-CG 4.17Å
91	G	94.3	Very high	93.1	Very high	2 Å²	2	54 Å²	54	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	142.9	177.4	0	0	0	0	0	110.8	A55 K98 Y99	A55-G91 CarbonylContact O-C 3.58Å; A55-G91 VanDerWaalsContact O-CA 3.3Å; A55-G91 WeakPolarHBondContact O-CA 3.24Å; G91-K98 CarbonylContact O-C 3.48Å; G91-K98 VanDerWaalsContact O-CA 3.24Å; G91-K98 WeakPolarHBondContact O-CA 3.47Å; G91-Y99 PolarHBondContact N-O 3.2Å; G91-Y99 PolarHBondContact O-N 3.42Å
92	K	93.8	Very high	93.2	Very high	118 Å²	118	54.3 Å²	54.3	51%	0.513	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	118.1	170.1	-171.2	-178.6	177.4	-173.4	0	108.7	G54 A55 V97	G54-K92 VanDerWaalsContact CA-O 3.3Å; G54-K92 WeakPolarHBondContact CA-O 3.36Å; A55-K92 PolarHBondContact N-O 2.88Å; A55-K92 PolarHBondContact O-N 3.24Å; K92-V97 WeakPolarHBondContact CA-O 3.32Å
93	S	91.3	Very high	93.5	Very high	15 Å²	15	49.9 Å²	49.9	11%	0.105	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	163.6	175.2	65.8	0	0	0	0	110.8	E53 T95 G96 V97	E53-S93 WeakPolarHBondContact O-CA 3.45Å; S93-T95 PolarHBondContact O-N 3.27Å; S93-T95 VanDerWaalsContact O-N 3.17Å; S93-T95 PolarHBondContact OG-N 3.14Å; S93-T95 PolarHBondContact OG-OG1 3.49Å; S93-G96 WeakPolarHBondContact O-CA 3.25Å; S93-G96 PolarHBondContact O-N 2.91Å; S93-G96 PolarHBondContact OG-N 3.26Å; S93-V97 PolarHBondContact N-O 2.86Å; S93-V97 PolarHBondContact OG-N 2.82Å; S93-V97 VanDerWaalsContact OG-N 3.13Å; S93-V97 PolarHBondContact OG-O 2.81Å
94	K	87.4	Confident	93.6	Very high	139 Å²	139	53.1 Å²	53.1	60%	0.604	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-29.7	170.7	-77.2	-170.6	174.1	164.1	0	113.4	D52 E53 G96	D52-K94 VanDerWaalsContact C-NZ 3.32Å; D52-K94 WeakPolarHBondContact O-CD 3.48Å; D52-K94 WeakPolarHBondContact O-CE 3.31Å; D52-K94 PolarHBondContact O-NZ 3.49Å; D52-K94 IonicContact OD1-NZ 3.83Å; D52-K94 PolarHBondContact OD1-NZ 2.66Å; E53-K94 PolarHBondContact O-N 2.99Å; K94-G96 PolarHBondContact O-N 3.37Å
95	T	85.5	Confident	93.7	Very high	121 Å²	121	50.3 Å²	50.3	74%	0.742	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-4	175.7	56.9	0	0	0	0	113.6	S93	S93-T95 PolarHBondContact O-N 3.27Å; S93-T95 VanDerWaalsContact O-N 3.17Å; S93-T95 PolarHBondContact OG-N 3.14Å; S93-T95 PolarHBondContact OG-OG1 3.49Å
96	G	84.9	Confident	93.5	Very high	34 Å²	34	53 Å²	53	35%	0.351	28%	0.275	S	S	.	.			trans	87.7	1.5	177.4	0	0	0	0	0	115	S93 K94	S93-G96 WeakPolarHBondContact O-CA 3.25Å; S93-G96 PolarHBondContact O-N 2.91Å; S93-G96 PolarHBondContact OG-N 3.26Å; K94-G96 PolarHBondContact O-N 3.37Å
97	V	90	Very high	93.1	Very high	66 Å²	66	52.6 Å²	52.6	40%	0.4	28%	0.277	S	S	.	.			trans	-70.8	134.7	176.2	-176.8	0	0	0	0	109.1	K92 S93 Y99	K92-V97 WeakPolarHBondContact CA-O 3.32Å; S93-V97 PolarHBondContact N-O 2.86Å; S93-V97 PolarHBondContact OG-N 2.82Å; S93-V97 VanDerWaalsContact OG-N 3.13Å; S93-V97 PolarHBondContact OG-O 2.81Å; V97-Y99 HydrophobicContact CB-CE2 3.85Å; V97-Y99 HydrophobicContact CG1-CD2 4.36Å; V97-Y99 HydrophobicContact CG1-CE1 4.4Å; V97-Y99 HydrophobicContact CG1-CE2 3.63Å
98	K	92.4	Very high	92.8	Very high	161 Å²	161	52.5 Å²	52.5	70%	0.7	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100	139.2	179.3	-65.6	-176.8	-179.2	-178	0	110.1	G91	G91-K98 CarbonylContact O-C 3.48Å; G91-K98 VanDerWaalsContact O-CA 3.24Å; G91-K98 WeakPolarHBondContact O-CA 3.47Å
99	Y	94.2	Very high	92.5	Very high	28 Å²	28	51.4 Å²	51.4	11%	0.11	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.7	178.6	-62.3	-91.8	0	0	0	109.3	T90 G91 V97 P128 T130 L132	T90-Y99 CarbonylContact C-O 3.49Å; T90-Y99 VanDerWaalsContact CA-O 3.27Å; T90-Y99 WeakPolarHBondContact CA-O 3.38Å; G91-Y99 PolarHBondContact N-O 3.2Å; G91-Y99 PolarHBondContact O-N 3.42Å; V97-Y99 HydrophobicContact CB-CE2 3.85Å; V97-Y99 HydrophobicContact CG1-CD2 4.36Å; V97-Y99 HydrophobicContact CG1-CE1 4.4Å; V97-Y99 HydrophobicContact CG1-CE2 3.63Å; Y99-P128 HydrophobicContact CE1-CG 3.98Å; Y99-T130 HydrophobicContact CD1-CG2 3.53Å; Y99-T130 HydrophobicContact CD2-CG2 4.33Å; Y99-T130 HydrophobicContact CE1-CG2 3.79Å; Y99-T130 HydrophobicContact CG-CG2 3.81Å; Y99-L132 HydrophobicContact CD2-CD1 3.77Å; Y99-L132 HydrophobicContact CE2-CD1 4.3Å
100	K	95	Very high	92	Very high	112 Å²	112	54.6 Å²	54.6	49%	0.487	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144.8	172.9	-61.4	-168.4	177.8	179.7	0	111.2	W89 T90 N124 E127	W89-K100 WeakPolarHBondContact O-CA 3.39Å; T90-K100 HydrophobicContact CG2-CG 4.17Å; K100-N124 PolarHBondContact O-N 3.35Å; K100-E127 PolarHBondContact N-OE1 3.05Å
101	G	95.4	Very high	91.4	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	179	174.6	0	0	0	0	0	112.8	T88 W89 S122	T88-G101 WeakPolarHBondContact CA-O 3.24Å; T88-G101 WeakPolarHBondContact CG2-O 3.46Å; W89-G101 VanDerWaalsContact CD1-O 3.32Å; W89-G101 PolarHBondContact N-O 2.85Å; W89-G101 VanDerWaalsContact NE1-C 3.27Å; W89-G101 VanDerWaalsContact NE1-CA 3.33Å; W89-G101 PolarHBondContact O-N 2.92Å; G101-S122 CarbonylContact C-O 3.55Å; G101-S122 WeakPolarHBondContact CA-O 3.4Å
102	S	96.2	Very high	90.9	Very high	29 Å²	29	63.2 Å²	63.2	20%	0.203	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	150.3	-178.6	51.2	0	0	0	0	111.8	A87 I121 S122	A87-S102 CarbonylContact O-C 3.31Å; A87-S102 WeakPolarHBondContact O-CA 3.31Å; S102-I121 WeakPolarHBondContact O-CA 3.15Å; S102-S122 PolarHBondContact N-O 2.9Å; S102-S122 PolarHBondContact O-N 3.39Å; S102-S122 PolarHBondContact OG-OG 2.83Å
103	I	97.4	Very high	90.2	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.01	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.8	170	-64.1	147.6	0	0	0	106.8	V58 K86 A87 W89 V105 I119 S120 I121 M136 I144	V58-I103 HydrophobicContact CG2-CD1 3.72Å; K86-I103 CarbonylContact C-O 3.55Å; K86-I103 VanDerWaalsContact CA-O 3.29Å; K86-I103 WeakPolarHBondContact CA-O 3.41Å; A87-I103 HydrophobicContact CB-CB 4.27Å; A87-I103 HydrophobicContact CB-CD1 4.46Å; A87-I103 PolarHBondContact N-O 2.94Å; A87-I103 PolarHBondContact O-N 3.11Å; W89-I103 HydrophobicContact CB-CD1 4.04Å; W89-I103 HydrophobicContact CG-CD1 4.31Å; I103-V105 HydrophobicContact CG2-CG2 4.2Å; I103-I119 HydrophobicContact CG2-CG2 4.26Å; I103-S120 CarbonylContact C-O 3.48Å; I103-S120 VanDerWaalsContact CA-O 3.3Å; I103-S120 WeakPolarHBondContact CA-O 3.28Å; I103-I121 HydrophobicContact CG1-CD1 4.43Å; I103-I121 HydrophobicContact CG1-CG1 4.06Å; I103-M136 HydrophobicContact CD1-CE 3.88Å; I103-M136 HydrophobicContact CG1-CE 4.43Å; I103-I144 HydrophobicContact CD1-CD1 3.8Å; I103-I144 HydrophobicContact CG1-CD1 4.18Å; I103-I144 HydrophobicContact CG2-CD1 4.13Å
104	E	96.4	Very high	89.7	Confident	72 Å²	72	64.6 Å²	64.6	34%	0.336	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129	172.1	-55.8	-164.4	169.8	0	0	109.5	L85 K86 S120	L85-E104 WeakPolarHBondContact O-CA 3.15Å; K86-E104 HydrophobicContact CD-CG 4.16Å; K86-E104 WeakPolarHBondContact CD-OE1 3.41Å; K86-E104 VanDerWaalsContact CE-CD 3.49Å; K86-E104 VanDerWaalsContact CE-OE1 3.31Å; K86-E104 WeakPolarHBondContact CE-OE1 3.33Å; K86-E104 HydrophobicContact CG-CG 4.03Å; K86-E104 IonicContact NZ-OE1 2.6Å; K86-E104 PolarHBondContact NZ-OE1 3.43Å; K86-E104 IonicContact NZ-OE2 3.47Å; K86-E104 PolarHBondContact NZ-OE2 3.43Å; E104-S120 PolarHBondContact N-O 2.8Å; E104-S120 PolarHBondContact O-N 3.16Å
105	V	95.6	Very high	89.4	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	95.1	174.2	-172.9	0	0	0	0	107.3	L85 I103 I119 L148	L85-V105 HydrophobicContact CB-CB 4.29Å; L85-V105 HydrophobicContact CD2-CB 4.4Å; L85-V105 HydrophobicContact CD2-CG2 4.13Å; L85-V105 PolarHBondContact N-O 3.19Å; L85-V105 PolarHBondContact O-N 3.14Å; I103-V105 HydrophobicContact CG2-CG2 4.2Å; V105-I119 HydrophobicContact CG1-CG1 4.49Å; V105-I119 HydrophobicContact CG2-CB 4.41Å; V105-I119 HydrophobicContact CG2-CG1 4.08Å; V105-I119 HydrophobicContact CG2-CG2 4.09Å; V105-L148 HydrophobicContact CG1-CD1 4.05Å; V105-L148 HydrophobicContact CG2-CD1 4.39Å
106	P	92.6	Very high	89.2	Confident	59 Å²	59	66 Å²	66	38%	0.383	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	150	173.3	31.4	-33.3	0	0	0	110.8	N84 L108 D118	N84-P106 WeakPolarHBondContact OD1-CA 3.35Å; P106-L108 PolarHBondContact O-N 2.89Å; P106-D118 WeakPolarHBondContact CD-O 3.22Å
107	N	87.8	Confident	89.3	Confident	67 Å²	67	64.8 Å²	64.8	36%	0.358	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52.5	47	166.2	-162.7	8.3	0	0	0	115	W83 N84 S109 N112	W83-N107 PolarHBondContact O-N 3.4Å; N84-N107 PolarHBondContact OD1-N 3.38Å; N107-S109 PolarHBondContact O-N 3.09Å; N107-S109 VanDerWaalsContact O-N 3.08Å; N107-S109 PolarHBondContact OD1-OG 2.87Å; N107-N112 PolarHBondContact ND2-ND2 3.19Å; N107-N112 VanDerWaalsContact ND2-ND2 3.2Å; N107-N112 PolarHBondContact O-ND2 3.45Å; N107-N112 PolarHBondContact OD1-ND2 3.16Å
108	L	90.4	Very high	89.3	Confident	2 Å²	2	66.8 Å²	66.8	1%	0.01	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	99.1	163.6	168.7	67.7	0	0	0	108	L40 Y81 E82 W83 P106 M114 L117 L148	L40-L108 HydrophobicContact CD1-CD2 4.47Å; L40-L108 HydrophobicContact CD2-CD2 4.11Å; Y81-L108 HydrophobicContact CE2-CD1 4.33Å; Y81-L108 HydrophobicContact CE2-CG 4.29Å; E82-L108 CarbonylContact C-O 3.43Å; E82-L108 WeakPolarHBondContact CA-O 3.33Å; W83-L108 HydrophobicContact CB-CB 4.13Å; W83-L108 HydrophobicContact CB-CD2 4.22Å; W83-L108 HydrophobicContact CB-CG 4.44Å; W83-L108 PolarHBondContact N-O 3.16Å; W83-L108 PolarHBondContact O-N 3.38Å; P106-L108 PolarHBondContact O-N 2.89Å; L108-M114 HydrophobicContact CD1-CE 3.76Å; L108-M114 HydrophobicContact CD1-SD 4.17Å; L108-L117 HydrophobicContact CB-CD2 4.37Å; L108-L117 HydrophobicContact CD1-CD1 3.68Å; L108-L117 HydrophobicContact CD1-CD2 3.99Å; L108-L117 HydrophobicContact CD1-CG 4.5Å; L108-L148 HydrophobicContact CD2-CD1 4.38Å; L108-L148 HydrophobicContact CD2-CD2 3.9Å; L108-L148 HydrophobicContact CD2-CG 4.49Å
109	S	89.8	Confident	89.4	Confident	6 Å²	6	60.2 Å²	60.2	4%	0.042	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	167.8	-174.7	64.4	0	0	0	0	114	Y81 N107 E111 N112	Y81-S109 VanDerWaalsContact CE2-CA 3.49Å; Y81-S109 VanDerWaalsContact CE2-O 3.27Å; Y81-S109 WeakPolarHBondContact CE2-O 3.5Å; Y81-S109 VanDerWaalsContact CZ-C 3.49Å; Y81-S109 CarbonylContact O-C 3.55Å; Y81-S109 WeakPolarHBondContact O-CA 3.22Å; Y81-S109 VanDerWaalsContact O-CB 3.27Å; Y81-S109 WeakPolarHBondContact O-CB 3.11Å; Y81-S109 PolarHBondContact OH-O 3.33Å; N107-S109 PolarHBondContact O-N 3.09Å; N107-S109 VanDerWaalsContact O-N 3.08Å; N107-S109 PolarHBondContact OD1-OG 2.87Å; S109-E111 PolarHBondContact O-N 3.16Å; S109-N112 PolarHBondContact O-N 2.8Å; S109-N112 PolarHBondContact OG-ND2 3.39Å
110	D	85.8	Confident	89.4	Confident	67 Å²	67	61.5 Å²	61.5	36%	0.358	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-15.5	174.8	65	-78.7	0	0	0	113.4	F80 Y81	F80-D110 WeakPolarHBondContact CA-OD1 3.29Å; Y81-D110 HydrophobicContact CD1-CB 3.88Å; Y81-D110 HydrophobicContact CE1-CB 3.58Å; Y81-D110 PolarHBondContact N-OD1 2.83Å; Y81-D110 PolarHBondContact O-N 2.78Å; Y81-D110 VanDerWaalsContact O-N 3.12Å
111	E	83.1	Confident	89.4	Confident	171 Å²	171	56.4 Å²	56.4	80%	0.799	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-17.5	175	-60.3	-161.7	154.8	0	0	113.3	S109	S109-E111 PolarHBondContact O-N 3.16Å
112	N	82.9	Confident	89.4	Confident	57 Å²	57	58.5 Å²	58.5	31%	0.305	31%	0.312	S	S	.	.	S	Bend	trans	-105.7	134.9	-177	-68.1	-25.8	0	0	0	111.2	N107 S109	N107-N112 PolarHBondContact ND2-ND2 3.19Å; N107-N112 VanDerWaalsContact ND2-ND2 3.2Å; N107-N112 PolarHBondContact O-ND2 3.45Å; N107-N112 PolarHBondContact OD1-ND2 3.16Å; S109-N112 PolarHBondContact O-N 2.8Å; S109-N112 PolarHBondContact OG-ND2 3.39Å
113	D	80.4	Confident	89.3	Confident	118 Å²	118	58.8 Å²	58.8	63%	0.631	31%	0.311	S	S	*	.			trans	-73.3	144.6	172.3	-74.1	-41.6	0	0	0	110.6	E115 D116 L117	D113-E115 PolarHBondContact O-N 3.32Å; D113-E115 VanDerWaalsContact O-N 3.17Å; D113-D116 PolarHBondContact O-N 2.69Å; D113-L117 PolarHBondContact O-N 3.23Å
114	M	80.7	Confident	89	Confident	44 Å²	44	61.8 Å²	61.8	22%	0.217	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-60.3	-28.4	-178.1	-76.9	-76.1	176.2	0	0	113.3	L108 D116 L117 R145 L148 V152	L108-M114 HydrophobicContact CD1-CE 3.76Å; L108-M114 HydrophobicContact CD1-SD 4.17Å; M114-D116 VanDerWaalsContact C-N 3.31Å; M114-L117 HydrophobicContact SD-CD1 3.51Å; M114-L117 VanDerWaalsContact SD-CD1 3.51Å; M114-R145 WeakPolarHBondContact O-CD 3.45Å; M114-R145 WeakPolarHBondContact O-CG 3.38Å; M114-R145 PolarHBondContact O-NE 3.16Å; M114-L148 HydrophobicContact CE-CB 4.46Å; M114-L148 VanDerWaalsContact CE-O 3.25Å; M114-L148 WeakPolarHBondContact CE-O 3.3Å; M114-L148 HydrophobicContact SD-CB 4.22Å; M114-V152 HydrophobicContact CE-CB 4.14Å; M114-V152 HydrophobicContact CE-CG2 3.22Å
115	E	80.4	Confident	88.4	Confident	164 Å²	164	68.5 Å²	68.5	77%	0.766	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-71.6	-27.8	177.7	-63.7	-178	-173.7	0	0	112.1	D113	D113-E115 PolarHBondContact O-N 3.32Å; D113-E115 VanDerWaalsContact O-N 3.17Å
116	D	82.6	Confident	87.8	Confident	126 Å²	126	76 Å²	76	67%	0.674	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-91.5	-0.4	-177.3	-67.5	-27.8	0	0	0	113.4	D113 M114 D118	D113-D116 PolarHBondContact O-N 2.69Å; M114-D116 VanDerWaalsContact C-N 3.31Å; D116-D118 PolarHBondContact O-N 2.97Å
117	L	86.2	Confident	87.5	Confident	9 Å²	9	75.9 Å²	75.9	5%	0.047	39%	0.39	C	S	.	.			trans	-62.6	123	177.7	-68.9	175.9	0	0	0	111.3	L108 D113 M114 I119 L148	L108-L117 HydrophobicContact CB-CD2 4.37Å; L108-L117 HydrophobicContact CD1-CD1 3.68Å; L108-L117 HydrophobicContact CD1-CD2 3.99Å; L108-L117 HydrophobicContact CD1-CG 4.5Å; D113-L117 PolarHBondContact O-N 3.23Å; M114-L117 HydrophobicContact SD-CD1 3.51Å; M114-L117 VanDerWaalsContact SD-CD1 3.51Å; L117-I119 HydrophobicContact CB-CG1 4.43Å; L117-I119 PolarHBondContact O-N 2.77Å; L117-L148 HydrophobicContact CD1-CD1 4.17Å
118	D	89.1	Confident	87.4	Confident	107 Å²	107	76.5 Å²	76.5	57%	0.572	40%	0.397	S	S	*	.			trans	-76.1	107.5	170.8	-172.7	15.2	0	0	0	109.4	P106 D116	P106-D118 WeakPolarHBondContact CD-O 3.22Å; D116-D118 PolarHBondContact O-N 2.97Å
119	I	94.4	Very high	87.2	Confident	24 Å²	24	83.2 Å²	83.2	12%	0.123	43%	0.433	C	S	.	.			trans	-107.1	96.5	177.5	-56.4	175.8	0	0	0	107.4	I103 V105 L117 I121 A141 I144 R145	I103-I119 HydrophobicContact CG2-CG2 4.26Å; V105-I119 HydrophobicContact CG1-CG1 4.49Å; V105-I119 HydrophobicContact CG2-CB 4.41Å; V105-I119 HydrophobicContact CG2-CG1 4.08Å; V105-I119 HydrophobicContact CG2-CG2 4.09Å; L117-I119 HydrophobicContact CB-CG1 4.43Å; L117-I119 PolarHBondContact O-N 2.77Å; I119-I121 HydrophobicContact CG2-CD1 4.11Å; I119-I121 HydrophobicContact CG2-CG1 4.06Å; I119-A141 HydrophobicContact CG2-CB 4.31Å; I119-I144 HydrophobicContact CD1-CB 4.47Å; I119-I144 HydrophobicContact CD1-CG2 4.11Å; I119-I144 HydrophobicContact CG2-CG2 4.39Å; I119-R145 HydrophobicContact CD1-CB 3.93Å
120	S	94.5	Very high	87.2	Confident	54 Å²	54	83.2 Å²	83.2	38%	0.378	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	122.4	178.3	175.2	0	0	0	0	110.2	I103 E104	I103-S120 CarbonylContact C-O 3.48Å; I103-S120 VanDerWaalsContact CA-O 3.3Å; I103-S120 WeakPolarHBondContact CA-O 3.28Å; E104-S120 PolarHBondContact N-O 2.8Å; E104-S120 PolarHBondContact O-N 3.16Å
121	I	95.6	Very high	87.4	Confident	6 Å²	6	83.3 Å²	83.3	3%	0.031	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.5	178.3	-59	-179	0	0	0	109	S102 I103 I119 M136 K137 A141 I144	S102-I121 WeakPolarHBondContact O-CA 3.15Å; I103-I121 HydrophobicContact CG1-CD1 4.43Å; I103-I121 HydrophobicContact CG1-CG1 4.06Å; I119-I121 HydrophobicContact CG2-CD1 4.11Å; I119-I121 HydrophobicContact CG2-CG1 4.06Å; I121-M136 HydrophobicContact CD1-CB 4.33Å; I121-M136 WeakPolarHBondContact CD1-O 3.2Å; I121-M136 HydrophobicContact CG2-CB 3.75Å; I121-K137 HydrophobicContact CB-CG 3.91Å; I121-K137 HydrophobicContact CG2-CG 4.25Å; I121-K137 WeakPolarHBondContact O-CE 3.48Å; I121-A141 HydrophobicContact CD1-CB 4.06Å; I121-I144 HydrophobicContact CD1-CD1 4.26Å
122	S	94.4	Very high	87.8	Confident	44 Å²	44	75.2 Å²	75.2	31%	0.308	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	161.4	-177.6	56.4	0	0	0	0	111.9	W89 G101 S102	W89-S122 PolarHBondContact NE1-O 3.41Å; G101-S122 CarbonylContact C-O 3.55Å; G101-S122 WeakPolarHBondContact CA-O 3.4Å; S102-S122 PolarHBondContact N-O 2.9Å; S102-S122 PolarHBondContact O-N 3.39Å; S102-S122 PolarHBondContact OG-OG 2.83Å
123	L	94.4	Very high	88.3	Confident	35 Å²	35	73.2 Å²	73.2	18%	0.183	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	153.7	167	-73.3	165	0	0	0	109.9	W89 E127 T130 V133	W89-L123 HydrophobicContact CH2-CD2 3.68Å; W89-L123 HydrophobicContact CZ2-CD2 3.71Å; W89-L123 HydrophobicContact CZ2-CG 4.4Å; L123-E127 HydrophobicContact CB-CB 4.39Å; L123-E127 HydrophobicContact CD2-CB 4.45Å; L123-T130 HydrophobicContact CD1-CG2 3.7Å; L123-T130 HydrophobicContact CD2-CG2 3.76Å; L123-T130 HydrophobicContact CG-CG2 4.33Å; L123-V133 HydrophobicContact CD1-CB 4Å; L123-V133 HydrophobicContact CD1-CG1 4.29Å; L123-V133 HydrophobicContact CD1-CG2 4.37Å; L123-V133 HydrophobicContact CD2-CB 4.46Å; L123-V133 HydrophobicContact CG-CB 3.95Å; L123-V133 HydrophobicContact CG-CG2 3.91Å
124	N	91.9	Very high	88.9	Confident	64 Å²	64	73.7 Å²	73.7	34%	0.342	39%	0.388	S	S	.	.			trans	-67.9	151.9	171.6	-70.9	-5.3	0	0	0	110.5	K100 D126 E127	K100-N124 PolarHBondContact O-N 3.35Å; N124-D126 PolarHBondContact O-N 2.9Å; N124-E127 HydrophobicContact CB-CG 4.16Å; N124-E127 WeakPolarHBondContact O-CB 3.42Å; N124-E127 PolarHBondContact O-N 2.8Å
125	K	82.8	Confident	89.5	Confident	214 Å²	214	71.8 Å²	71.8	93%	0.93	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-23	-171	-67	-178.1	-179.8	177.6	0	114.9
126	D	84.7	Confident	90.2	Very high	157 Å²	157	64 Å²	64	84%	0.84	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-1.9	-176.4	-52.1	-52.3	0	0	0	113.1	N124	N124-D126 PolarHBondContact O-N 2.9Å
127	E	85.3	Confident	90.8	Very high	58 Å²	58	63.6 Å²	63.6	27%	0.271	33%	0.334	S	S	.	.	S	Bend	trans	-95.7	135.3	-175.2	-64.8	-74.4	-176.6	0	0	111.3	K100 L123 N124	K100-E127 PolarHBondContact N-OE1 3.05Å; L123-E127 HydrophobicContact CB-CB 4.39Å; L123-E127 HydrophobicContact CD2-CB 4.45Å; N124-E127 HydrophobicContact CB-CG 4.16Å; N124-E127 WeakPolarHBondContact O-CB 3.42Å; N124-E127 PolarHBondContact O-N 2.8Å
128	P	86.5	Confident	91.2	Very high	79 Å²	79	65.9 Å²	65.9	51%	0.513	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-69.6	155.3	174.2	25.4	-25.8	0	0	0	111	Y99	Y99-P128 HydrophobicContact CE1-CG 3.98Å
129	D	86.2	Confident	91.4	Very high	143 Å²	143	66 Å²	66	77%	0.765	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-58	143.1	178.1	-168.8	29.2	0	0	0	111.3
130	T	89.6	Confident	91.4	Very high	6 Å²	6	64.9 Å²	64.9	4%	0.037	34%	0.338	C	S	.	.			trans	-149.7	140.4	-173.7	175.3	0	0	0	0	111.8	Y99 L123 L132 V133	Y99-T130 HydrophobicContact CD1-CG2 3.53Å; Y99-T130 HydrophobicContact CD2-CG2 4.33Å; Y99-T130 HydrophobicContact CE1-CG2 3.79Å; Y99-T130 HydrophobicContact CG-CG2 3.81Å; L123-T130 HydrophobicContact CD1-CG2 3.7Å; L123-T130 HydrophobicContact CD2-CG2 3.76Å; L123-T130 HydrophobicContact CG-CG2 4.33Å; T130-L132 HydrophobicContact CG2-CB 4.05Å; T130-L132 PolarHBondContact O-N 3.07Å; T130-L132 PolarHBondContact OG1-N 2.96Å; T130-V133 WeakPolarHBondContact O-CG1 3.44Å; T130-V133 PolarHBondContact O-N 3.37Å; T130-V133 VanDerWaalsContact O-N 3.08Å
131	P	90.1	Very high	91.4	Very high	70 Å²	70	62.8 Å²	62.8	46%	0.455	32%	0.324	S	S	.	.	H	α-helix	trans	-55.6	-21.4	172.4	-25	34.6	0	0	0	113.8	E53 V133 H134 L135	E53-P131 HydrophobicContact CB-CB 4.01Å; E53-P131 HydrophobicContact CG-CB 3.69Å; P131-V133 VanDerWaalsContact C-N 3.28Å; P131-V133 PolarHBondContact O-N 3.25Å; P131-H134 WeakPolarHBondContact O-CB 3.34Å; P131-H134 PolarHBondContact O-N 3.49Å; P131-H134 VanDerWaalsContact O-N 3.12Å; P131-L135 PolarHBondContact O-N 3.41Å; P131-L135 VanDerWaalsContact O-N 3.09Å
132	L	91.6	Very high	91.4	Very high	1 Å²	1	68 Å²	68	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-63.6	-29.1	177.2	-64.5	-176	0	0	0	113.6	E53 W89 Y99 T130 H134 L135 M136	E53-L132 HydrophobicContact CB-CD2 4.14Å; W89-L132 HydrophobicContact CH2-CB 4.41Å; W89-L132 HydrophobicContact CZ3-CB 4.39Å; Y99-L132 HydrophobicContact CD2-CD1 3.77Å; Y99-L132 HydrophobicContact CE2-CD1 4.3Å; T130-L132 HydrophobicContact CG2-CB 4.05Å; T130-L132 PolarHBondContact O-N 3.07Å; T130-L132 PolarHBondContact OG1-N 2.96Å; L132-H134 VanDerWaalsContact C-N 3.3Å; L132-L135 HydrophobicContact CD2-CD2 4.35Å; L132-L135 WeakPolarHBondContact O-CB 3.43Å; L132-L135 PolarHBondContact O-N 2.82Å; L132-M136 PolarHBondContact O-N 2.99Å
133	V	93.5	Very high	91.4	Very high	15 Å²	15	70.3 Å²	70.3	9%	0.091	35%	0.353	C	S	.	.	H	α-helix	trans	-68.6	-35.2	174.7	80.4	0	0	0	0	110.9	W89 L123 T130 P131 M136 K137	W89-V133 HydrophobicContact CZ2-CB 4.48Å; W89-V133 HydrophobicContact CZ2-CG2 4.23Å; L123-V133 HydrophobicContact CD1-CB 4Å; L123-V133 HydrophobicContact CD1-CG1 4.29Å; L123-V133 HydrophobicContact CD1-CG2 4.37Å; L123-V133 HydrophobicContact CD2-CB 4.46Å; L123-V133 HydrophobicContact CG-CB 3.95Å; L123-V133 HydrophobicContact CG-CG2 3.91Å; T130-V133 WeakPolarHBondContact O-CG1 3.44Å; T130-V133 PolarHBondContact O-N 3.37Å; T130-V133 VanDerWaalsContact O-N 3.08Å; P131-V133 VanDerWaalsContact C-N 3.28Å; P131-V133 PolarHBondContact O-N 3.25Å; V133-M136 PolarHBondContact O-N 2.82Å; V133-K137 WeakPolarHBondContact O-CB 3.47Å; V133-K137 VanDerWaalsContact O-CG 3.29Å; V133-K137 WeakPolarHBondContact O-CG 3.39Å; V133-K137 PolarHBondContact O-N 3.27Å
134	H	92.4	Very high	91.4	Very high	128 Å²	128	68.7 Å²	68.7	59%	0.593	34%	0.344	S	S	*	.	H	α-helix	trans	-69.1	-39.4	175.5	-174.5	70.8	0	0	0	111.3	P131 L132 M136 K137 T138	P131-H134 WeakPolarHBondContact O-CB 3.34Å; P131-H134 PolarHBondContact O-N 3.49Å; P131-H134 VanDerWaalsContact O-N 3.12Å; L132-H134 VanDerWaalsContact C-N 3.3Å; H134-M136 PolarHBondContact O-N 3.01Å; H134-K137 PolarHBondContact O-N 3.37Å; H134-T138 WeakPolarHBondContact O-CG2 3.34Å; H134-T138 PolarHBondContact O-N 2.77Å; H134-T138 VanDerWaalsContact O-N 3.07Å; H134-T138 PolarHBondContact O-OG1 3.45Å
135	L	93.9	Very high	91.4	Very high	4 Å²	4	69.7 Å²	69.7	2%	0.021	34%	0.343	C	S	.	.	H	α-helix	trans	-57.4	-47.8	171.5	173.3	63.3	0	0	0	111.5	V49 N51 P131 L132 T138 K139 G140	V49-L135 HydrophobicContact CG2-CD1 4.47Å; V49-L135 HydrophobicContact CG2-CD2 4.09Å; V49-L135 HydrophobicContact CG2-CG 3.96Å; N51-L135 HydrophobicContact CB-CD1 3.92Å; N51-L135 HydrophobicContact CB-CD2 4.37Å; N51-L135 WeakPolarHBondContact OD1-CD2 3.27Å; P131-L135 PolarHBondContact O-N 3.41Å; P131-L135 VanDerWaalsContact O-N 3.09Å; L132-L135 HydrophobicContact CD2-CD2 4.35Å; L132-L135 WeakPolarHBondContact O-CB 3.43Å; L132-L135 PolarHBondContact O-N 2.82Å; L135-T138 PolarHBondContact O-N 3.43Å; L135-T138 PolarHBondContact O-OG1 2.86Å; L135-K139 HydrophobicContact CD1-CB 4.1Å; L135-K139 HydrophobicContact CD1-CD 4Å; L135-K139 HydrophobicContact CD1-CG 4.27Å; L135-K139 PolarHBondContact O-N 2.81Å; L135-K139 VanDerWaalsContact O-N 3.09Å; L135-G140 PolarHBondContact O-N 2.9Å; L135-G140 VanDerWaalsContact O-N 3.16Å
136	M	95.2	Very high	91.9	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.005	33%	0.329	C	S	.	.	I	π-helix	trans	-66.3	-41	178.7	-77.6	-64	-64.8	0	0	111.9	V49 C56 W89 I103 I121 L132 V133 H134 T138 G140 A141 I144	V49-M136 HydrophobicContact CG2-SD 3.47Å; V49-M136 WeakPolarHBondContact CG2-SD 3.25Å; C56-M136 HydrophobicContact CB-CG 3.61Å; C56-M136 HydrophobicContact CB-SD 3.41Å; C56-M136 WeakPolarHBondContact CB-SD 3.38Å; W89-M136 HydrophobicContact CB-CE 4.03Å; W89-M136 HydrophobicContact CD2-CE 4.37Å; W89-M136 HydrophobicContact CD2-CG 3.9Å; W89-M136 HydrophobicContact CE3-CG 3.82Å; W89-M136 HydrophobicContact CG-CE 3.98Å; W89-M136 HydrophobicContact CG-CG 4.5Å; W89-M136 HydrophobicContact CH2-CG 4.33Å; W89-M136 HydrophobicContact CZ2-CG 4.4Å; W89-M136 HydrophobicContact CZ3-CG 4.04Å; I103-M136 HydrophobicContact CD1-CE 3.88Å; I103-M136 HydrophobicContact CG1-CE 4.43Å; I121-M136 HydrophobicContact CD1-CB 4.33Å; I121-M136 WeakPolarHBondContact CD1-O 3.2Å; I121-M136 HydrophobicContact CG2-CB 3.75Å; L132-M136 PolarHBondContact O-N 2.99Å; V133-M136 PolarHBondContact O-N 2.82Å; H134-M136 PolarHBondContact O-N 3.01Å; M136-T138 PolarHBondContact O-N 3Å; M136-G140 CarbonylContact O-C 3.49Å; M136-G140 VanDerWaalsContact O-C 3.31Å; M136-G140 WeakPolarHBondContact O-CA 3.36Å; M136-G140 PolarHBondContact O-N 2.69Å; M136-A141 PolarHBondContact O-N 2.69Å; M136-I144 HydrophobicContact CE-CD1 4.32Å
137	K	94.9	Very high	92.2	Very high	117 Å²	117	59 Å²	59	51%	0.509	29%	0.294	S	S	.	.	I	π-helix	trans	-63.5	-22.8	176.3	-78.3	177.1	175.2	-175.6	0	114.5	I121 V133 H134 A141	I121-K137 HydrophobicContact CB-CG 3.91Å; I121-K137 HydrophobicContact CG2-CG 4.25Å; I121-K137 WeakPolarHBondContact O-CE 3.48Å; V133-K137 WeakPolarHBondContact O-CB 3.47Å; V133-K137 VanDerWaalsContact O-CG 3.29Å; V133-K137 WeakPolarHBondContact O-CG 3.39Å; V133-K137 PolarHBondContact O-N 3.27Å; H134-K137 PolarHBondContact O-N 3.37Å; K137-A141 WeakPolarHBondContact O-CB 3.49Å
138	T	93.9	Very high	92.6	Very high	56 Å²	56	56.2 Å²	56.2	34%	0.344	28%	0.281	S	S	.	.	I	π-helix	trans	-101.2	-90.2	179.9	52.3	0	0	0	0	109.7	H134 L135 M136 G140 A141 E142	H134-T138 WeakPolarHBondContact O-CG2 3.34Å; H134-T138 PolarHBondContact O-N 2.77Å; H134-T138 VanDerWaalsContact O-N 3.07Å; H134-T138 PolarHBondContact O-OG1 3.45Å; L135-T138 PolarHBondContact O-N 3.43Å; L135-T138 PolarHBondContact O-OG1 2.86Å; M136-T138 PolarHBondContact O-N 3Å; T138-G140 VanDerWaalsContact C-N 3.29Å; T138-G140 PolarHBondContact O-N 3.38Å; T138-A141 PolarHBondContact O-N 2.88Å; T138-E142 PolarHBondContact O-N 3.02Å; T138-E142 VanDerWaalsContact O-N 3.12Å
139	K	94.3	Very high	92.7	Very high	110 Å²	110	53.9 Å²	53.9	48%	0.478	27%	0.271	S	S	.	.	I	π-helix	trans	-62.3	-34.6	-177.6	-64.6	-170.2	177.5	-175.5	0	113.2	V49 L135 K143	V49-K139 HydrophobicContact CG1-CB 4.33Å; L135-K139 HydrophobicContact CD1-CB 4.1Å; L135-K139 HydrophobicContact CD1-CD 4Å; L135-K139 HydrophobicContact CD1-CG 4.27Å; L135-K139 PolarHBondContact O-N 2.81Å; L135-K139 VanDerWaalsContact O-N 3.09Å; K139-K143 PolarHBondContact O-N 2.85Å
140	G	94.1	Very high	92.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.253	C	S	.	.	I	π-helix	trans	-64.3	-47.7	177.3	0	0	0	0	0	111.8	L135 M136 T138 E142 K143 I144	L135-G140 PolarHBondContact O-N 2.9Å; L135-G140 VanDerWaalsContact O-N 3.16Å; M136-G140 CarbonylContact O-C 3.49Å; M136-G140 VanDerWaalsContact O-C 3.31Å; M136-G140 WeakPolarHBondContact O-CA 3.36Å; M136-G140 PolarHBondContact O-N 2.69Å; T138-G140 VanDerWaalsContact C-N 3.29Å; T138-G140 PolarHBondContact O-N 3.38Å; G140-E142 VanDerWaalsContact C-N 3.35Å; G140-E142 PolarHBondContact O-N 2.8Å; G140-K143 PolarHBondContact O-N 2.86Å; G140-I144 WeakPolarHBondContact O-CB 3.36Å; G140-I144 WeakPolarHBondContact O-CD1 3.13Å; G140-I144 WeakPolarHBondContact O-CG1 3.41Å; G140-I144 PolarHBondContact O-N 3.46Å
141	A	95	Very high	93	Very high	11 Å²	11	49.4 Å²	49.4	9%	0.091	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-40.9	177.5	0	0	0	0	0	111.9	I119 I121 M136 K137 T138 I144 R145	I119-A141 HydrophobicContact CG2-CB 4.31Å; I121-A141 HydrophobicContact CD1-CB 4.06Å; M136-A141 PolarHBondContact O-N 2.69Å; K137-A141 WeakPolarHBondContact O-CB 3.49Å; T138-A141 PolarHBondContact O-N 2.88Å; A141-I144 PolarHBondContact O-N 3.18Å; A141-R145 WeakPolarHBondContact O-CB 3.28Å; A141-R145 PolarHBondContact O-N 3Å
142	E	94.1	Very high	92.8	Very high	115 Å²	115	46.8 Å²	46.8	54%	0.537	23%	0.234	S	C	.	.	H	α-helix	trans	-59.2	-51.4	173.5	-72.4	176.2	170.5	0	0	111.8	T138 G140 I144 R145 E146	T138-E142 PolarHBondContact O-N 3.02Å; T138-E142 VanDerWaalsContact O-N 3.12Å; G140-E142 VanDerWaalsContact C-N 3.35Å; G140-E142 PolarHBondContact O-N 2.8Å; E142-I144 VanDerWaalsContact C-N 3.34Å; E142-I144 PolarHBondContact O-N 2.9Å; E142-R145 WeakPolarHBondContact O-CB 3.11Å; E142-R145 PolarHBondContact O-N 2.85Å; E142-E146 WeakPolarHBondContact O-CG 3.29Å; E142-E146 PolarHBondContact O-N 2.86Å
143	K	94.3	Very high	92.5	Very high	92 Å²	92	48.4 Å²	48.4	40%	0.4	25%	0.251	S	S	.	.	H	α-helix	trans	-62	-39.9	177.3	-81.4	-157.1	-177.1	-178.5	0	113.1	L47 S48 V49 K139 G140 R145 E146 A147	L47-K143 HydrophobicContact CD1-CB 4.2Å; L47-K143 HydrophobicContact CD2-CB 3.87Å; L47-K143 HydrophobicContact CD2-CD 4.23Å; L47-K143 HydrophobicContact CG-CB 4.36Å; S48-K143 PolarHBondContact O-NZ 2.95Å; V49-K143 HydrophobicContact CG1-CB 4.5Å; V49-K143 HydrophobicContact CG1-CD 3.69Å; V49-K143 HydrophobicContact CG1-CG 4.16Å; K139-K143 PolarHBondContact O-N 2.85Å; G140-K143 PolarHBondContact O-N 2.86Å; K143-R145 VanDerWaalsContact C-N 3.32Å; K143-E146 PolarHBondContact O-N 2.88Å; K143-A147 WeakPolarHBondContact O-CB 3.46Å; K143-A147 PolarHBondContact O-N 3.48Å
144	I	94.6	Very high	92.1	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-61.9	-45.3	176.2	-70.4	161.8	0	0	0	109.2	L44 L47 I103 I119 I121 M136 G140 A141 E142 E146 A147 L148	L44-I144 HydrophobicContact CD2-CG1 4.41Å; L44-I144 HydrophobicContact CD2-CG2 4.01Å; L47-I144 HydrophobicContact CD1-CG1 4.27Å; L47-I144 HydrophobicContact CD2-CG1 4.3Å; I103-I144 HydrophobicContact CD1-CD1 3.8Å; I103-I144 HydrophobicContact CG1-CD1 4.18Å; I103-I144 HydrophobicContact CG2-CD1 4.13Å; I119-I144 HydrophobicContact CD1-CB 4.47Å; I119-I144 HydrophobicContact CD1-CG2 4.11Å; I119-I144 HydrophobicContact CG2-CG2 4.39Å; I121-I144 HydrophobicContact CD1-CD1 4.26Å; M136-I144 HydrophobicContact CE-CD1 4.32Å; G140-I144 WeakPolarHBondContact O-CB 3.36Å; G140-I144 WeakPolarHBondContact O-CD1 3.13Å; G140-I144 WeakPolarHBondContact O-CG1 3.41Å; G140-I144 PolarHBondContact O-N 3.46Å; A141-I144 PolarHBondContact O-N 3.18Å; E142-I144 VanDerWaalsContact C-N 3.34Å; E142-I144 PolarHBondContact O-N 2.9Å; I144-E146 PolarHBondContact O-N 2.81Å; I144-A147 WeakPolarHBondContact O-CB 3.26Å; I144-A147 PolarHBondContact O-N 3.06Å; I144-L148 HydrophobicContact CG2-CD1 4.15Å; I144-L148 HydrophobicContact CG2-CG 4.37Å; I144-L148 VanDerWaalsContact O-CG 3.3Å; I144-L148 WeakPolarHBondContact O-CG 3.24Å; I144-L148 PolarHBondContact O-N 2.92Å
145	R	93.4	Very high	91.8	Very high	85 Å²	85	44.7 Å²	44.7	32%	0.321	23%	0.232	S	C	.	.	H	α-helix	trans	-59.6	-44.3	176.2	-172.7	-178.1	-71.1	141.7	-1.6	111.9	M114 I119 A141 E142 K143 A147 L148 G149	M114-R145 WeakPolarHBondContact O-CD 3.45Å; M114-R145 WeakPolarHBondContact O-CG 3.38Å; M114-R145 PolarHBondContact O-NE 3.16Å; I119-R145 HydrophobicContact CD1-CB 3.93Å; A141-R145 WeakPolarHBondContact O-CB 3.28Å; A141-R145 PolarHBondContact O-N 3Å; E142-R145 WeakPolarHBondContact O-CB 3.11Å; E142-R145 PolarHBondContact O-N 2.85Å; K143-R145 VanDerWaalsContact C-N 3.32Å; R145-A147 VanDerWaalsContact C-N 3.34Å; R145-A147 PolarHBondContact O-N 3.08Å; R145-L148 PolarHBondContact O-N 3.18Å; R145-G149 PolarHBondContact O-N 2.86Å
146	E	92.1	Very high	91.1	Very high	134 Å²	134	49.8 Å²	49.8	63%	0.626	25%	0.254	S	S	*	.	H	α-helix	trans	-61.4	-41.2	175.5	-72.2	176.8	175.4	0	0	112.5	E142 K143 I144 G149 S150	E142-E146 WeakPolarHBondContact O-CG 3.29Å; E142-E146 PolarHBondContact O-N 2.86Å; K143-E146 PolarHBondContact O-N 2.88Å; I144-E146 PolarHBondContact O-N 2.81Å; E146-G149 PolarHBondContact O-N 2.83Å; E146-S150 WeakPolarHBondContact O-CB 3.3Å; E146-S150 PolarHBondContact O-N 3.4Å; E146-S150 PolarHBondContact O-OG 3.19Å
147	A	92.4	Very high	90.4	Very high	12 Å²	12	54 Å²	54	10%	0.099	28%	0.28	C	S	.	.	H	α-helix	trans	-63.5	-45.6	176.1	0	0	0	0	0	111.5	L43 L44 L47 K143 I144 R145 G149 S150 Y151	L43-A147 HydrophobicContact CB-CB 4.33Å; L44-A147 HydrophobicContact CD2-CB 4.2Å; L47-A147 HydrophobicContact CD1-CB 3.95Å; K143-A147 WeakPolarHBondContact O-CB 3.46Å; K143-A147 PolarHBondContact O-N 3.48Å; I144-A147 WeakPolarHBondContact O-CB 3.26Å; I144-A147 PolarHBondContact O-N 3.06Å; R145-A147 VanDerWaalsContact C-N 3.34Å; R145-A147 PolarHBondContact O-N 3.08Å; A147-G149 VanDerWaalsContact C-N 3.35Å; A147-G149 PolarHBondContact O-N 2.94Å; A147-S150 WeakPolarHBondContact O-CB 2.83Å; A147-S150 PolarHBondContact O-N 3.35Å; A147-Y151 PolarHBondContact O-N 3.14Å; A147-Y151 VanDerWaalsContact O-N 3.08Å
148	L	92.8	Very high	89.5	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-64.2	-38.5	175.2	-63.7	-179.2	0	0	0	112	L40 L44 V105 L108 M114 L117 I144 R145 S150 Y151 V152	L40-L148 HydrophobicContact CD2-CD2 3.51Å; L44-L148 HydrophobicContact CD1-CD2 4.17Å; L44-L148 HydrophobicContact CD2-CD2 4.43Å; V105-L148 HydrophobicContact CG1-CD1 4.05Å; V105-L148 HydrophobicContact CG2-CD1 4.39Å; L108-L148 HydrophobicContact CD2-CD1 4.38Å; L108-L148 HydrophobicContact CD2-CD2 3.9Å; L108-L148 HydrophobicContact CD2-CG 4.49Å; M114-L148 HydrophobicContact CE-CB 4.46Å; M114-L148 VanDerWaalsContact CE-O 3.25Å; M114-L148 WeakPolarHBondContact CE-O 3.3Å; M114-L148 HydrophobicContact SD-CB 4.22Å; L117-L148 HydrophobicContact CD1-CD1 4.17Å; I144-L148 HydrophobicContact CG2-CD1 4.15Å; I144-L148 HydrophobicContact CG2-CG 4.37Å; I144-L148 VanDerWaalsContact O-CG 3.3Å; I144-L148 WeakPolarHBondContact O-CG 3.24Å; I144-L148 PolarHBondContact O-N 2.92Å; R145-L148 PolarHBondContact O-N 3.18Å; L148-S150 VanDerWaalsContact C-N 3.34Å; L148-S150 PolarHBondContact O-N 3.24Å; L148-Y151 WeakPolarHBondContact O-CB 3.29Å; L148-Y151 PolarHBondContact O-N 3.42Å; L148-V152 PolarHBondContact O-N 2.75Å
149	G	89.3	Confident	88.7	Confident	29 Å²	29	51.6 Å²	51.6	30%	0.299	27%	0.266	S	S	.	.	H	α-helix	trans	-61.6	-41.4	172.8	0	0	0	0	0	112.6	R145 E146 A147 Y151 V152 G153	R145-G149 PolarHBondContact O-N 2.86Å; E146-G149 PolarHBondContact O-N 2.83Å; A147-G149 VanDerWaalsContact C-N 3.35Å; A147-G149 PolarHBondContact O-N 2.94Å; G149-Y151 VanDerWaalsContact C-N 3.32Å; G149-Y151 PolarHBondContact O-N 3.02Å; G149-V152 PolarHBondContact O-N 3.3Å; G149-G153 PolarHBondContact O-N 3.33Å
150	S	90.1	Very high	87.6	Confident	56 Å²	56	47.1 Å²	47.1	39%	0.392	25%	0.247	S	C	.	.	H	α-helix	trans	-63.4	-37.9	176.7	-60.1	0	0	0	0	111.8	E146 A147 L148 V152 G153 F154	E146-S150 WeakPolarHBondContact O-CB 3.3Å; E146-S150 PolarHBondContact O-N 3.4Å; E146-S150 PolarHBondContact O-OG 3.19Å; A147-S150 WeakPolarHBondContact O-CB 2.83Å; A147-S150 PolarHBondContact O-N 3.35Å; L148-S150 VanDerWaalsContact C-N 3.34Å; L148-S150 PolarHBondContact O-N 3.24Å; S150-V152 VanDerWaalsContact C-N 3.32Å; S150-V152 PolarHBondContact O-N 3.06Å; S150-G153 WeakPolarHBondContact O-CA 2.85Å; S150-G153 PolarHBondContact O-N 3.41Å; S150-F154 WeakPolarHBondContact O-CD2 3.46Å; S150-F154 WeakPolarHBondContact O-CG 2.91Å; S150-F154 PolarHBondContact O-N 3.4Å
151	Y	92	Very high	86.5	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-53.9	-46.6	172.3	152.9	-103.7	0	0	0	112.1	W35 S36 K39 L40 Y81 W83 A147 L148 G149 G153 F154 L155	W35-Y151 HydrophobicContact CZ3-CD2 4.19Å; W35-Y151 AromaticContact CZ3-CE2 3.87Å; W35-Y151 HydrophobicContact CZ3-CE2 3.87Å; S36-Y151 VanDerWaalsContact CB-OH 3.3Å; S36-Y151 WeakPolarHBondContact CB-OH 3.32Å; S36-Y151 WeakPolarHBondContact OG-CE2 3.41Å; S36-Y151 PolarHBondContact OG-OH 3.47Å; K39-Y151 HydrophobicContact CB-CD2 4.4Å; K39-Y151 HydrophobicContact CG-CD2 4.38Å; L40-Y151 HydrophobicContact CD1-CD1 4.48Å; L40-Y151 HydrophobicContact CD1-CE1 4.34Å; L40-Y151 HydrophobicContact CD1-CE2 4.4Å; L40-Y151 HydrophobicContact CD2-CD1 3.73Å; L40-Y151 HydrophobicContact CD2-CD2 4.11Å; L40-Y151 HydrophobicContact CD2-CE1 4.38Å; L40-Y151 HydrophobicContact CD2-CG 3.57Å; L40-Y151 HydrophobicContact CG-CD1 4.21Å; L40-Y151 HydrophobicContact CG-CD2 3.89Å; L40-Y151 HydrophobicContact CG-CE2 4.21Å; L40-Y151 HydrophobicContact CG-CG 3.88Å; Y81-Y151 HydrophobicContact CD2-CE1 4.35Å; W83-Y151 PolarHBondContact NE1-OH 3.41Å; A147-Y151 PolarHBondContact O-N 3.14Å; A147-Y151 VanDerWaalsContact O-N 3.08Å; L148-Y151 WeakPolarHBondContact O-CB 3.29Å; L148-Y151 PolarHBondContact O-N 3.42Å; G149-Y151 VanDerWaalsContact C-N 3.32Å; G149-Y151 PolarHBondContact O-N 3.02Å; Y151-G153 VanDerWaalsContact C-N 3.27Å; Y151-G153 PolarHBondContact O-N 2.7Å; Y151-F154 PolarHBondContact O-N 3.16Å; Y151-L155 HydrophobicContact CE2-CB 4.41Å; Y151-L155 WeakPolarHBondContact O-CB 3.32Å; Y151-L155 PolarHBondContact O-N 3.45Å
152	V	85.7	Confident	85	Confident	15 Å²	15	57.1 Å²	57.1	9%	0.091	31%	0.309	C	S	.	.	H	α-helix	trans	-63.5	-35.8	177.4	174.8	0	0	0	0	111.4	Y81 M114 L148 G149 S150 L155 K156	Y81-V152 HydrophobicContact CE1-CG2 4.14Å; Y81-V152 HydrophobicContact CE2-CG2 4.33Å; M114-V152 HydrophobicContact CE-CB 4.14Å; M114-V152 HydrophobicContact CE-CG2 3.22Å; L148-V152 PolarHBondContact O-N 2.75Å; G149-V152 PolarHBondContact O-N 3.3Å; S150-V152 VanDerWaalsContact C-N 3.32Å; S150-V152 PolarHBondContact O-N 3.06Å; V152-L155 PolarHBondContact O-N 2.92Å; V152-K156 HydrophobicContact CG1-CD 4.23Å; V152-K156 VanDerWaalsContact O-CG 3.32Å; V152-K156 WeakPolarHBondContact O-CG 3.41Å; V152-K156 PolarHBondContact O-N 3.33Å; V152-K156 VanDerWaalsContact O-N 3.16Å
153	G	83.9	Confident	83.6	Confident	35 Å²	35	52.2 Å²	52.2	36%	0.361	29%	0.286	S	S	.	.	H	α-helix	trans	-59.8	-49.6	172	0	0	0	0	0	112.3	G149 S150 Y151 K156 T157	G149-G153 PolarHBondContact O-N 3.33Å; S150-G153 WeakPolarHBondContact O-CA 2.85Å; S150-G153 PolarHBondContact O-N 3.41Å; Y151-G153 VanDerWaalsContact C-N 3.27Å; Y151-G153 PolarHBondContact O-N 2.7Å; G153-K156 PolarHBondContact O-N 3.24Å; G153-T157 PolarHBondContact O-N 3.01Å; G153-T157 PolarHBondContact O-OG1 2.87Å
154	F	86	Confident	81.9	Confident	63 Å²	63	51.5 Å²	51.5	28%	0.276	29%	0.286	S	S	.	.	H	α-helix	trans	-66.3	-37.2	178.2	-64	-54.6	0	0	0	112.7	W35 K39 L43 S150 Y151 K156 T157 E158 F159	W35-F154 VanDerWaalsContact CH2-C 3.47Å; W35-F154 HydrophobicContact CH2-CB 3.75Å; W35-F154 HydrophobicContact CZ2-CB 4.18Å; K39-F154 HydrophobicContact CD-CD2 4.48Å; K39-F154 VanDerWaalsContact CE-CG 3.4Å; L43-F154 HydrophobicContact CD1-CD2 4.3Å; L43-F154 HydrophobicContact CD1-CE2 4.49Å; L43-F154 HydrophobicContact CD2-CE2 3.99Å; S150-F154 WeakPolarHBondContact O-CD2 3.46Å; S150-F154 WeakPolarHBondContact O-CG 2.91Å; S150-F154 PolarHBondContact O-N 3.4Å; Y151-F154 PolarHBondContact O-N 3.16Å; F154-K156 PolarHBondContact O-N 3.48Å; F154-T157 PolarHBondContact O-N 2.93Å; F154-T157 VanDerWaalsContact O-N 3.17Å; F154-E158 HydrophobicContact CB-CG 4.34Å; F154-E158 VanDerWaalsContact CD1-CD 3.49Å; F154-E158 HydrophobicContact CD1-CG 4.02Å; F154-E158 WeakPolarHBondContact CD1-OE1 3.35Å; F154-E158 VanDerWaalsContact CE1-OE1 3.29Å; F154-E158 WeakPolarHBondContact CE1-OE1 3.46Å; F154-E158 WeakPolarHBondContact O-CB 3.32Å; F154-E158 PolarHBondContact O-N 3.41Å; F154-F159 PolarHBondContact O-N 3.44Å
155	L	84.9	Confident	79.7	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	31%	0.306	C	S	.	.	I	π-helix	trans	-59.5	-37.3	175.3	-174.3	68.2	0	0	0	110.2	A32 W35 I70 F79 Y81 Y151 V152 F159 T160	A32-L155 HydrophobicContact CB-CD1 3.99Å; W35-L155 HydrophobicContact CE3-CD1 3.8Å; W35-L155 HydrophobicContact CH2-CB 4.26Å; W35-L155 HydrophobicContact CZ3-CB 3.87Å; W35-L155 HydrophobicContact CZ3-CD1 3.5Å; W35-L155 VanDerWaalsContact CZ3-CD1 3.5Å; W35-L155 HydrophobicContact CZ3-CG 4.3Å; I70-L155 HydrophobicContact CD1-CD1 3.87Å; I70-L155 HydrophobicContact CD1-CG 4.1Å; F79-L155 HydrophobicContact CD1-CD2 3.95Å; F79-L155 HydrophobicContact CD1-CG 3.97Å; F79-L155 HydrophobicContact CE1-CG 4.31Å; Y81-L155 HydrophobicContact CD1-CD2 4.03Å; Y151-L155 HydrophobicContact CE2-CB 4.41Å; Y151-L155 WeakPolarHBondContact O-CB 3.32Å; Y151-L155 PolarHBondContact O-N 3.45Å; V152-L155 PolarHBondContact O-N 2.92Å; L155-F159 HydrophobicContact CD1-CB 4.28Å; L155-F159 HydrophobicContact CD1-CG 4.42Å; L155-T160 VanDerWaalsContact O-CG2 3.31Å; L155-T160 WeakPolarHBondContact O-CG2 3.34Å
156	K	81.1	Confident	77.3	Confident	112 Å²	112	56.9 Å²	56.9	49%	0.487	33%	0.327	S	S	.	.	I	π-helix	trans	-77.8	-18.3	179	-73.3	171.3	-179.5	173.9	0	114.8	F79 V152 G153 F154 T160	F79-K156 HydrophobicContact CD1-CG 4.37Å; F79-K156 HydrophobicContact CE1-CB 4.34Å; F79-K156 HydrophobicContact CE1-CG 3.74Å; F79-K156 HydrophobicContact CE2-CG 4.04Å; F79-K156 HydrophobicContact CZ-CB 4.17Å; F79-K156 HydrophobicContact CZ-CG 3.58Å; V152-K156 HydrophobicContact CG1-CD 4.23Å; V152-K156 VanDerWaalsContact O-CG 3.32Å; V152-K156 WeakPolarHBondContact O-CG 3.41Å; V152-K156 PolarHBondContact O-N 3.33Å; V152-K156 VanDerWaalsContact O-N 3.16Å; G153-K156 PolarHBondContact O-N 3.24Å; F154-K156 PolarHBondContact O-N 3.48Å; K156-T160 PolarHBondContact O-OG1 3.21Å
157	T	78.6	Confident	74.7	Confident	89 Å²	89	55.3 Å²	55.3	55%	0.546	33%	0.326	S	S	.	.	I	π-helix	trans	-118.5	-52	-173.1	55.7	0	0	0	0	113.3	G153 F154	G153-T157 PolarHBondContact O-N 3.01Å; G153-T157 PolarHBondContact O-OG1 2.87Å; F154-T157 PolarHBondContact O-N 2.93Å; F154-T157 VanDerWaalsContact O-N 3.17Å
158	E	77.4	Confident	71.9	Confident	83 Å²	83	58.5 Å²	58.5	39%	0.388	35%	0.353	S	S	.	.	I	π-helix	trans	-77.4	-49.4	-175.5	-63.8	-178	-173.9	0	0	111	W35 K39 F154	W35-E158 HydrophobicContact CZ2-CB 4.01Å; K39-E158 IonicContact NZ-OE1 2.75Å; K39-E158 PolarHBondContact NZ-OE1 3.4Å; K39-E158 IonicContact NZ-OE2 3.3Å; K39-E158 PolarHBondContact NZ-OE2 3.36Å; F154-E158 HydrophobicContact CB-CG 4.34Å; F154-E158 VanDerWaalsContact CD1-CD 3.49Å; F154-E158 HydrophobicContact CD1-CG 4.02Å; F154-E158 WeakPolarHBondContact CD1-OE1 3.35Å; F154-E158 VanDerWaalsContact CE1-OE1 3.29Å; F154-E158 WeakPolarHBondContact CE1-OE1 3.46Å; F154-E158 WeakPolarHBondContact O-CB 3.32Å; F154-E158 PolarHBondContact O-N 3.41Å
159	F	76.3	Confident	69.1	Low	40 Å²	40	65.8 Å²	65.8	18%	0.175	39%	0.392	C	S	.	.	I	π-helix	trans	-74.5	-34.1	-175.9	-172.9	-83.9	0	0	0	112.8	R30 D31 A32 W35 I70 F154 L155 Q161 M163	R30-F159 HydrophobicContact CB-CE1 4.12Å; R30-F159 HydrophobicContact CB-CZ 4.34Å; D31-F159 WeakPolarHBondContact O-CZ 3.44Å; A32-F159 VanDerWaalsContact CA-CZ 3.48Å; A32-F159 HydrophobicContact CB-CD1 4.13Å; A32-F159 HydrophobicContact CB-CD2 4.15Å; A32-F159 HydrophobicContact CB-CE1 3.68Å; A32-F159 HydrophobicContact CB-CE2 3.72Å; A32-F159 HydrophobicContact CB-CG 4.32Å; A32-F159 HydrophobicContact CB-CZ 3.46Å; A32-F159 VanDerWaalsContact CB-CZ 3.46Å; W35-F159 HydrophobicContact CB-CD2 3.74Å; W35-F159 HydrophobicContact CB-CE2 3.84Å; W35-F159 HydrophobicContact CD2-CB 4.07Å; W35-F159 AromaticContact CD2-CD2 3.64Å; W35-F159 HydrophobicContact CD2-CD2 3.64Å; W35-F159 HydrophobicContact CD2-CG 4.26Å; W35-F159 HydrophobicContact CE3-CB 4.12Å; W35-F159 HydrophobicContact CE3-CD2 4.01Å; W35-F159 HydrophobicContact CE3-CG 4.33Å; W35-F159 AromaticContact CG-CD2 3.5Å; W35-F159 HydrophobicContact CG-CD2 3.5Å; W35-F159 HydrophobicContact CG-CE2 4.12Å; W35-F159 HydrophobicContact CH2-CB 4.37Å; W35-F159 HydrophobicContact CZ2-CB 4.26Å; W35-F159 HydrophobicContact CZ3-CB 4.29Å; I70-F159 HydrophobicContact CD1-CD1 3.27Å; I70-F159 HydrophobicContact CD1-CE1 3.71Å; I70-F159 HydrophobicContact CD1-CG 4.22Å; I70-F159 HydrophobicContact CG1-CD1 4.28Å; I70-F159 HydrophobicContact CG1-CE1 4.27Å; F154-F159 PolarHBondContact O-N 3.44Å; L155-F159 HydrophobicContact CD1-CB 4.28Å; L155-F159 HydrophobicContact CD1-CG 4.42Å; F159-Q161 VanDerWaalsContact C-N 3.27Å; F159-Q161 PolarHBondContact O-N 2.93Å; F159-M163 HydrophobicContact CD1-SD 3.92Å; F159-M163 HydrophobicContact CE1-SD 3.89Å
160	T	72.5	Confident	66.5	Low	15 Å²	15	68.4 Å²	68.4	9%	0.092	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-2.9	-176.9	57.2	0	0	0	0	113.9	I70 L77 F79 L155 K156 G162 M163	I70-T160 HydrophobicContact CD1-CG2 3.67Å; I70-T160 HydrophobicContact CG2-CG2 4.3Å; L77-T160 HydrophobicContact CD1-CG2 3.59Å; F79-T160 HydrophobicContact CE1-CG2 3.53Å; F79-T160 HydrophobicContact CZ-CG2 3.76Å; L155-T160 VanDerWaalsContact O-CG2 3.31Å; L155-T160 WeakPolarHBondContact O-CG2 3.34Å; K156-T160 PolarHBondContact O-OG1 3.21Å; T160-G162 PolarHBondContact O-N 3.31Å; T160-M163 HydrophobicContact CG2-SD 4.2Å; T160-M163 VanDerWaalsContact O-CB 3.31Å; T160-M163 WeakPolarHBondContact O-CB 3.46Å; T160-M163 PolarHBondContact O-N 3.47Å
161	Q	70.6	Confident	63.6	Low	161 Å²	161	71.2 Å²	71.2	75%	0.752	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	121.5	179	-167.9	170.6	3	0	0	110	F159 M163	F159-Q161 VanDerWaalsContact C-N 3.27Å; F159-Q161 PolarHBondContact O-N 2.93Å; Q161-M163 VanDerWaalsContact C-N 3.29Å; Q161-M163 PolarHBondContact O-N 3.12Å
162	G	62.6	Low	60.7	Low	61 Å²	61	76.4 Å²	76.4	63%	0.629	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	5.3	-176.7	0	0	0	0	0	115.4	T160 I164	T160-G162 PolarHBondContact O-N 3.31Å; G162-I164 VanDerWaalsContact C-N 3.31Å
163	M	65.9	Low	57.9	Low	12 Å²	12	83.7 Å²	83.7	6%	0.059	51%	0.507	C	S	.	.	S	Bend	trans	-76.8	-17.2	172.8	-70	-169.3	61.7	0	0	113.6	R30 I70 N72 L77 F159 T160 Q161	R30-M163 HydrophobicContact CB-CE 3.77Å; R30-M163 HydrophobicContact CB-SD 4.44Å; R30-M163 HydrophobicContact CG-CE 3.69Å; R30-M163 HydrophobicContact CG-SD 4.48Å; I70-M163 HydrophobicContact CB-CE 3.88Å; I70-M163 HydrophobicContact CB-SD 4.34Å; I70-M163 HydrophobicContact CD1-SD 4.39Å; I70-M163 HydrophobicContact CG2-CE 3.73Å; I70-M163 HydrophobicContact CG2-SD 4.2Å; N72-M163 PolarHBondContact ND2-O 2.89Å; L77-M163 HydrophobicContact CD2-CB 4.13Å; L77-M163 HydrophobicContact CD2-CE 4.29Å; F159-M163 HydrophobicContact CD1-SD 3.92Å; F159-M163 HydrophobicContact CE1-SD 3.89Å; T160-M163 HydrophobicContact CG2-SD 4.2Å; T160-M163 VanDerWaalsContact O-CB 3.31Å; T160-M163 WeakPolarHBondContact O-CB 3.46Å; T160-M163 PolarHBondContact O-N 3.47Å; Q161-M163 VanDerWaalsContact C-N 3.29Å; Q161-M163 PolarHBondContact O-N 3.12Å
164	I	56.7	Low	55.5	Low	77 Å²	77	88.2 Å²	88.2	40%	0.395	53%	0.53	S	S	.	.	S	Bend	trans	-107.3	109.3	172.9	-55.3	175.4	0	0	0	107.3	L77 G162	L77-I164 HydrophobicContact CD1-CD1 3.91Å; L77-I164 HydrophobicContact CD1-CG1 4.09Å; L77-I164 HydrophobicContact CD2-CG1 4.15Å; L77-I164 HydrophobicContact CG-CD1 3.97Å; L77-I164 HydrophobicContact CG-CG1 4.05Å; G162-I164 VanDerWaalsContact C-N 3.31Å
165	L	49.6	Very low	52.9	Low	82 Å²	82	93.9 Å²	93.9	43%	0.429	56%	0.557	S	S	.	*			trans	-58.4	135.3	171.5	-76.5	157.8	0	0	0	109.9	T167	L165-T167 PolarHBondContact O-N 3.25Å; L165-T167 VanDerWaalsContact O-N 3.09Å
166	P	42.1	Very low	50.2	Low	117 Å²	117	99.3 Å²	99.3	76%	0.76	60%	0.595	S	S	*	*			trans	-61.8	113.4	175.4	-18.7	29.5	0	0	0	110.4
167	T	37.5	Very low	48.1	Very low	100 Å²	100	98.7 Å²	98.7	61%	0.613	61%	0.611	S	S	*	*			trans	-71.8	133.7	162.5	-36.4	0	0	0	0	107.2	L165 N169	L165-T167 PolarHBondContact O-N 3.25Å; L165-T167 VanDerWaalsContact O-N 3.09Å; T167-N169 VanDerWaalsContact C-N 3.25Å; T167-N169 PolarHBondContact O-N 3.4Å
168	A	34.5	Very low	45.7	Very low	80 Å²	80	99.8 Å²	99.8	66%	0.661	62%	0.622	S	S	*	*	S	Bend	trans	-61.8	84.8	179.4	0	0	0	0	0	111
169	N	33.5	Very low	43.7	Very low	153 Å²	153	105.4 Å²	105.4	82%	0.818	65%	0.648	S	S	*	*	S	Bend	trans	172.7	95.3	152.2	-89.7	-22	0	0	0	106.5	T167 V171	T167-N169 VanDerWaalsContact C-N 3.25Å; T167-N169 PolarHBondContact O-N 3.4Å; N169-V171 PolarHBondContact O-N 2.75Å
170	G	35.3	Very low	41.4	Very low	84 Å²	84	109 Å²	109	87%	0.866	68%	0.678	S	S	*	*			trans	-58.8	100.1	-178.7	0	0	0	0	0	112.2
171	V	29.8	Very low	39.5	Very low	116 Å²	116	118.6 Å²	118.6	70%	0.703	72%	0.719	S	S	*	*			trans	-150.8	94.3	151.3	-172.1	0	0	0	0	107.4	N169 K173	N169-V171 PolarHBondContact O-N 2.75Å; V171-K173 HydrophobicContact CG1-CG 4.09Å; V171-K173 PolarHBondContact O-N 3.12Å
172	A	29.7	Very low	37.4	Very low	108 Å²	108	115.8 Å²	115.8	89%	0.893	72%	0.724	S	S	*	*			trans	-72.8	105	161.4	0	0	0	0	0	107.6
173	K	28.1	Very low	35.7	Very low	168 Å²	168	122.9 Å²	122.9	73%	0.73	74%	0.737	S	S	*	*			trans	-99.7	131.8	162.5	-93.2	-178.6	179.7	178.5	0	108.8	V171 Q175	V171-K173 HydrophobicContact CG1-CG 4.09Å; V171-K173 PolarHBondContact O-N 3.12Å; K173-Q175 PolarHBondContact O-N 3.43Å
174	P	33.3	Very low	33.9	Very low	130 Å²	130	131.5 Å²	131.5	84%	0.844	78%	0.777	S	S	*	*			trans	-71.2	123.9	167.4	29.2	-29.8	0	0	0	108.2
175	Q	31.9	Very low	32.5	Very low	183 Å²	183	135.5 Å²	135.5	86%	0.855	80%	0.799	S	S	*	*			trans	-128.6	135.8	166.1	-85.5	-170.3	-48.5	0	0	111.1	K173	K173-Q175 PolarHBondContact O-N 3.43Å
176	S	27.6	Very low	31.4	Very low	115 Å²	115	140.4 Å²	140.4	80%	0.804	82%	0.817	S	S	*	*			trans	-63.8	159.9	-168.4	39.5	0	0	0	0	115.6
177	A	37.4	Very low	30.7	Very low	98 Å²	98	141.7 Å²	141.7	81%	0.81	82%	0.823	S	S	*	*			trans	-51.7	144.7	180	0	0	0	0	0	114.7
178	S	28	Very low	30.3	Very low	113 Å²	113	145.5 Å²	145.5	79%	0.79	83%	0.834	S	S	*	*			trans	-151.4	113.4	156.9	-46.8	0	0	0	0	108.5
179	Q	35.5	Very low	30	Very low	200 Å²	200	148 Å²	148	94%	0.935	84%	0.841	S	S	*	*			trans	-56.7	140.4	173.8	-71	167.2	-19.8	0	0	110.9
180	S	27.8	Very low	29.6	Very low	115 Å²	115	146.5 Å²	146.5	80%	0.804	84%	0.842	S	S	*	*			trans	-146.8	111.1	157.2	31.6	0	0	0	0	110.2
181	K	31.4	Very low	29.2	Very low	217 Å²	217	148 Å²	148	94%	0.943	84%	0.839	S	S	*	*			trans	-58.7	135.2	167.7	-72	178.2	173.7	179.6	0	109.6
182	A	27.2	Very low	29	Very low	103 Å²	103	146.2 Å²	146.2	85%	0.851	84%	0.844	S	S	*	*			trans	-141.7	130.4	162	0	0	0	0	0	110.9
183	K	27.2	Very low	28.9	Very low	210 Å²	210	146.6 Å²	146.6	91%	0.913	84%	0.841	S	S	*	*			trans	-55.9	148	-176.2	-94.5	164.5	162.8	175.2	0	114.6
184	Q	28.7	Very low	28.9	Very low	192 Å²	192	143.8 Å²	143.8	90%	0.897	84%	0.842	S	S	*	*			trans	-44	140.8	158.1	-67.3	168.7	-42.1	0	0	112.7
185	D	25.9	Very low	28.5	Very low	161 Å²	161	144.3 Å²	144.3	86%	0.861	84%	0.843	S	S	*	*			trans	-134	144.5	142.2	-150.9	-1.7	0	0	0	110.8
186	K	28.1	Very low	28.8	Very low	185 Å²	185	140.8 Å²	140.8	80%	0.804	85%	0.845	S	S	*	*			trans	-103.4	129.2	-160.2	-160.8	-178.9	-167.2	178.8	0	107
187	T	26.5	Very low	28.8	Very low	145 Å²	145	139.9 Å²	139.9	89%	0.89	85%	0.845	S	S	*	*			trans	-146.4	134.8	157.9	-27	0	0	0	0	111.5
188	Q	28.1	Very low	28.7	Very low	180 Å²	180	141 Å²	141	84%	0.841	84%	0.844	S	S	*	*			trans	-78.1	146.3	-158.7	-68.2	168.7	-82	0	0	114.8
189	V	28.2	Very low	29.6	Very low	132 Å²	132	142.8 Å²	142.8	80%	0.8	84%	0.843	S	S	*	*			trans	-16.4	134.6	147.9	-171.4	0	0	0	0	116
190	S	25.5	Very low	29.5	Very low	122 Å²	122	141 Å²	141	85%	0.853	84%	0.84	S	S	*	*			trans	-130.7	121.5	140.3	59.9	0	0	0	0	110.5
191	S	26.7	Very low	29.9	Very low	114 Å²	114	142.2 Å²	142.2	80%	0.797	84%	0.842	S	S	*	*			trans	-77.9	133.8	177.8	47.7	0	0	0	0	111.5
192	G	26.6	Very low	30.1	Very low	79 Å²	79	134.7 Å²	134.7	81%	0.814	83%	0.826	S	S	*	*			trans	-137.6	106.6	162.4	0	0	0	0	0	109.6
193	S	27.5	Very low	30.8	Very low	117 Å²	117	135.9 Å²	135.9	82%	0.818	82%	0.823	S	S	*	*			trans	-86.8	137.1	177.1	42.4	0	0	0	0	111.2
194	S	27.1	Very low	31.8	Very low	109 Å²	109	135.4 Å²	135.4	76%	0.762	82%	0.821	S	S	*	*			trans	-165.2	114.7	148.2	8.6	0	0	0	0	112
195	T	25.6	Very low	33.7	Very low	141 Å²	141	128.7 Å²	128.7	87%	0.865	79%	0.791	S	S	*	*			trans	52.2	120.8	140.6	48.2	0	0	0	0	121.3
196	A	37.5	Very low	36	Very low	108 Å²	108	125.1 Å²	125.1	89%	0.893	78%	0.776	S	S	*	*			trans	-70.7	146.9	176.7	0	0	0	0	0	115.3
197	A	27.8	Very low	38.6	Very low	97 Å²	97	119.7 Å²	119.7	80%	0.802	76%	0.758	S	S	*	*			trans	-157.4	159.1	151.6	0	0	0	0	0	109
198	P	36	Very low	41.1	Very low	121 Å²	121	113.5 Å²	113.5	79%	0.786	72%	0.721	S	S	*	*			trans	-89.1	155	-146.7	34.6	-35	0	0	0	116.7
199	I	46	Very low	44.1	Very low	151 Å²	151	113.1 Å²	113.1	77%	0.774	72%	0.717	S	S	*	*			trans	10.1	115.1	154.7	-51	171.4	0	0	0	117.7
200	N	35.3	Very low	46.9	Very low	162 Å²	162	107.7 Å²	107.7	87%	0.866	68%	0.682	S	S	*	*			trans	-160.4	73.9	139.3	-118.9	-28.1	0	0	0	109.6	G202	N200-G202 PolarHBondContact O-N 2.88Å
201	T	35.4	Very low	50.1	Low	140 Å²	140	105 Å²	105	86%	0.859	66%	0.661	S	S	*	*			trans	-81.2	68	174.7	45.9	0	0	0	0	110.5
202	G	35.3	Very low	53.1	Low	59 Å²	59	100.4 Å²	100.4	61%	0.608	63%	0.627	S	S	*	*			trans	-96.3	97.5	160.7	0	0	0	0	0	108.2	N200 K204	N200-G202 PolarHBondContact O-N 2.88Å; G202-K204 PolarHBondContact O-N 3.38Å
203	V	42.8	Very low	56.3	Low	128 Å²	128	104 Å²	104	78%	0.776	62%	0.616	S	S	*	*			trans	-62	109.9	164.1	179.1	0	0	0	0	105.7	I205	V203-I205 PolarHBondContact O-N 3.48Å
204	K	48.3	Very low	59.4	Low	200 Å²	200	100.4 Å²	100.4	87%	0.87	59%	0.588	S	S	*	*			trans	-68	88.8	174.8	-72.5	-178.2	180	176.1	0	107.6	G202 P206	G202-K204 PolarHBondContact O-N 3.38Å; K204-P206 WeakPolarHBondContact O-CD 3.21Å
205	I	66.8	Low	62.4	Low	52 Å²	52	98.1 Å²	98.1	27%	0.267	57%	0.569	S	S	.	*			trans	-59.7	120.3	174	-63.8	156.6	0	0	0	106.8	V203 T207 P281 H284 P309	V203-I205 PolarHBondContact O-N 3.48Å; I205-T207 PolarHBondContact O-N 3.4Å; I205-T207 VanDerWaalsContact O-N 3.12Å; I205-P281 HydrophobicContact CD1-CB 3.62Å; I205-P281 HydrophobicContact CD1-CG 3.66Å; I205-P281 HydrophobicContact CG1-CG 4.48Å; I205-H284 HydrophobicContact CD1-CB 4.33Å; I205-P309 HydrophobicContact CG2-CB 4.11Å; I205-P309 HydrophobicContact CG2-CG 4.38Å
206	P	75.4	Confident	65.6	Low	85 Å²	85	91.4 Å²	91.4	55%	0.552	53%	0.528	S	S	*	.			trans	-65.6	116.3	175.5	26	-31.7	0	0	0	108.5	K204 N310	K204-P206 WeakPolarHBondContact O-CD 3.21Å; P206-N310 PolarHBondContact O-N 3.12Å; P206-N310 PolarHBondContact O-OD1 3.17Å
207	T	82.8	Confident	68.2	Low	71 Å²	71	88.9 Å²	88.9	44%	0.436	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	143.5	-179.5	58.9	0	0	0	0	111.8	I205 H284 V308	I205-T207 PolarHBondContact O-N 3.4Å; I205-T207 VanDerWaalsContact O-N 3.12Å; T207-H284 VanDerWaalsContact CG2-CE1 3.46Å; T207-H284 WeakPolarHBondContact CG2-CE1 3.38Å; T207-V308 CarbonylContact C-O 3.59Å; T207-V308 WeakPolarHBondContact CA-O 3.41Å
208	C	79.4	Confident	71.2	Confident	15 Å²	15	85.3 Å²	85.3	10%	0.101	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	167.4	173.3	64.7	0	0	0	0	111.2	G307 V308 N310	C208-G307 PolarHBondContact O-N 3.16Å; C208-V308 PolarHBondContact N-O 3.17Å; C208-V308 PolarHBondContact O-N 3.07Å; C208-V308 PolarHBondContact SG-O 2.92Å; C208-N310 WeakPolarHBondContact CA-OD1 3.43Å; C208-N310 VanDerWaalsContact CB-OD1 3.25Å; C208-N310 WeakPolarHBondContact CB-OD1 3.47Å; C208-N310 PolarHBondContact N-OD1 3.03Å
209	K	89.8	Confident	73.9	Confident	172 Å²	172	82.3 Å²	82.3	75%	0.748	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.5	128.6	171.4	50.6	177.9	177.5	175.3	0	108.1	Y305	K209-Y305 WeakPolarHBondContact CA-O 3.41Å
210	F	88.3	Confident	76.1	Confident	19 Å²	19	76 Å²	76	8%	0.083	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	166.9	179.8	60.5	-92.4	0	0	0	110.1	I212 Y305 V308 E313 T316 K317	F210-I212 HydrophobicContact CD2-CG2 4.15Å; F210-I212 HydrophobicContact CE2-CG2 4.3Å; F210-Y305 AromaticContact CD2-CD2 3.47Å; F210-Y305 HydrophobicContact CD2-CD2 3.47Å; F210-Y305 VanDerWaalsContact CD2-CD2 3.47Å; F210-Y305 HydrophobicContact CD2-CE2 4.06Å; F210-Y305 HydrophobicContact CD2-CG 4.01Å; F210-Y305 HydrophobicContact CE1-CG 4.24Å; F210-Y305 HydrophobicContact CE2-CD1 4.04Å; F210-Y305 AromaticContact CE2-CD2 3.15Å; F210-Y305 HydrophobicContact CE2-CD2 3.15Å; F210-Y305 HydrophobicContact CE2-CE1 4.35Å; F210-Y305 AromaticContact CE2-CE2 3.55Å; F210-Y305 HydrophobicContact CE2-CE2 3.55Å; F210-Y305 AromaticContact CE2-CG 3.45Å; F210-Y305 HydrophobicContact CE2-CG 3.45Å; F210-Y305 VanDerWaalsContact CE2-CG 3.45Å; F210-Y305 HydrophobicContact CG-CD2 4.35Å; F210-Y305 AromaticContact CZ-CD1 3.93Å; F210-Y305 HydrophobicContact CZ-CD1 3.93Å; F210-Y305 AromaticContact CZ-CD2 3.83Å; F210-Y305 HydrophobicContact CZ-CD2 3.83Å; F210-Y305 HydrophobicContact CZ-CE1 4.47Å; F210-Y305 HydrophobicContact CZ-CE2 4.39Å; F210-Y305 AromaticContact CZ-CG 3.58Å; F210-Y305 HydrophobicContact CZ-CG 3.58Å; F210-Y305 PolarHBondContact N-O 3.5Å; F210-Y305 VanDerWaalsContact N-O 3.14Å; F210-Y305 PolarHBondContact O-N 3.41Å; F210-V308 HydrophobicContact CE1-CB 4Å; F210-V308 HydrophobicContact CE1-CG1 4.04Å; F210-V308 HydrophobicContact CE1-CG2 3.88Å; F210-V308 HydrophobicContact CZ-CG2 4.24Å; F210-E313 HydrophobicContact CD1-CG 3.78Å; F210-E313 HydrophobicContact CE1-CB 4.42Å; F210-E313 HydrophobicContact CE1-CG 3.74Å; F210-E313 HydrophobicContact CZ-CG 4.47Å; F210-T316 HydrophobicContact CZ-CG2 4.08Å; F210-K317 HydrophobicContact CD2-CD 4.16Å; F210-K317 HydrophobicContact CD2-CG 3.84Å; F210-K317 HydrophobicContact CE2-CD 4.13Å; F210-K317 HydrophobicContact CE2-CG 3.34Å; F210-K317 VanDerWaalsContact CG-CE 3.41Å; F210-K317 HydrophobicContact CZ-CG 3.8Å
211	T	91.3	Very high	78.8	Confident	65 Å²	65	70 Å²	70	40%	0.399	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138	177.9	-53.8	0	0	0	0	108.7	R213 K302 V303	T211-R213 HydrophobicContact CG2-CG 4.41Å; T211-K302 HydrophobicContact CG2-CD 4.29Å; T211-K302 HydrophobicContact CG2-CG 3.66Å; T211-V303 CarbonylContact C-O 3.53Å; T211-V303 VanDerWaalsContact CA-O 3.26Å; T211-V303 WeakPolarHBondContact CA-O 3.41Å; T211-V303 WeakPolarHBondContact CG2-O 3.32Å
212	I	90.6	Very high	81.5	Confident	17 Å²	17	66.4 Å²	66.4	9%	0.087	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	154.1	166.5	75.7	-171.4	0	0	0	108.7	F210 V303 Y305 K317 W320 F325	F210-I212 HydrophobicContact CD2-CG2 4.15Å; F210-I212 HydrophobicContact CE2-CG2 4.3Å; I212-V303 HydrophobicContact CG1-CB 3.98Å; I212-V303 HydrophobicContact CG1-CG2 4.3Å; I212-V303 PolarHBondContact N-O 3.2Å; I212-V303 PolarHBondContact O-N 3.49Å; I212-Y305 HydrophobicContact CD1-CE2 3.87Å; I212-Y305 WeakPolarHBondContact CD1-OH 3.32Å; I212-Y305 HydrophobicContact CG1-CE2 3.86Å; I212-Y305 HydrophobicContact CG2-CE2 4.31Å; I212-K317 HydrophobicContact CG2-CG 4.25Å; I212-W320 HydrophobicContact CD1-CB 3.94Å; I212-F325 HydrophobicContact CD1-CD2 4.49Å; I212-F325 HydrophobicContact CD1-CE2 3.38Å; I212-F325 HydrophobicContact CD1-CZ 3.44Å; I212-F325 VanDerWaalsContact CD1-CZ 3.44Å; I212-F325 HydrophobicContact CG1-CE2 3.68Å; I212-F325 HydrophobicContact CG1-CZ 3.68Å
213	R	92.8	Very high	84.3	Confident	156 Å²	156	63.6 Å²	63.6	59%	0.589	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.2	144.2	177.5	-53.1	-169.3	-164.1	176.1	5.1	109.1	T211 E300 L301 K302	T211-R213 HydrophobicContact CG2-CG 4.41Å; R213-E300 VanDerWaalsContact CD-OE1 3.3Å; R213-E300 WeakPolarHBondContact CD-OE1 3.3Å; R213-E300 IonicContact NH1-OE1 3.46Å; R213-E300 PolarHBondContact NH1-OE1 3.37Å; R213-L301 WeakPolarHBondContact CA-O 3.25Å; R213-K302 HydrophobicContact CG-CB 4.24Å; R213-K302 HydrophobicContact CG-CG 4.05Å
214	D	92.6	Very high	86.7	Confident	41 Å²	41	58.7 Å²	58.7	22%	0.219	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	155.1	172	-154.6	-9.4	0	0	0	110.4	F216 L301 F325 K329	D214-F216 HydrophobicContact CB-CE2 4.06Å; D214-L301 PolarHBondContact N-O 3.38Å; D214-L301 PolarHBondContact O-N 3.21Å; D214-F325 HydrophobicContact CB-CD2 3.57Å; D214-F325 HydrophobicContact CB-CE2 3.76Å; D214-F325 HydrophobicContact CB-CG 4.15Å; D214-F325 HydrophobicContact CB-CZ 4.47Å; D214-F325 WeakPolarHBondContact OD2-CB 3.15Å; D214-F325 WeakPolarHBondContact OD2-CD2 3.05Å; D214-K329 IonicContact OD1-NZ 3.27Å; D214-K329 PolarHBondContact OD1-NZ 3.23Å; D214-K329 IonicContact OD2-NZ 3.42Å; D214-K329 PolarHBondContact OD2-NZ 3.35Å
215	T	91.6	Very high	88.9	Confident	60 Å²	60	54.4 Å²	54.4	37%	0.368	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	141.9	-179.6	54.7	0	0	0	0	111.5	T299 E300 K329	T215-T299 WeakPolarHBondContact CA-O 3.49Å; T215-E300 HydrophobicContact CG2-CB 4.32Å; T215-E300 HydrophobicContact CG2-CG 4.45Å; T215-K329 WeakPolarHBondContact O-CE 3.38Å; T215-K329 PolarHBondContact O-NZ 2.99Å
216	F	92.2	Very high	90.2	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.1	-179.1	-64.4	-96.6	0	0	0	109.7	D214 T218 L223 E298 T299 L301 F325 I328 K329 Y334	D214-F216 HydrophobicContact CB-CE2 4.06Å; F216-T218 HydrophobicContact CB-CG2 4.02Å; F216-T218 PolarHBondContact O-N 3.33Å; F216-L223 HydrophobicContact CB-CD1 4.33Å; F216-L223 HydrophobicContact CB-CD2 4.01Å; F216-L223 HydrophobicContact CD1-CD1 3.93Å; F216-L223 HydrophobicContact CD2-CD1 4.39Å; F216-L223 HydrophobicContact CD2-CD2 3.62Å; F216-L223 HydrophobicContact CE1-CD1 4.35Å; F216-L223 HydrophobicContact CE2-CD2 4.26Å; F216-L223 HydrophobicContact CG-CD1 3.96Å; F216-L223 HydrophobicContact CG-CD2 3.82Å; F216-E298 CarbonylContact O-C 3.46Å; F216-E298 WeakPolarHBondContact O-CA 3.07Å; F216-E298 WeakPolarHBondContact O-CB 3.46Å; F216-T299 PolarHBondContact N-O 3.2Å; F216-T299 PolarHBondContact O-N 2.89Å; F216-L301 HydrophobicContact CD2-CB 3.92Å; F216-L301 HydrophobicContact CE2-CB 3.68Å; F216-L301 HydrophobicContact CE2-CD2 3.79Å; F216-L301 HydrophobicContact CE2-CG 4.39Å; F216-L301 HydrophobicContact CZ-CD2 4.25Å; F216-F325 HydrophobicContact CE2-CD1 4.36Å; F216-F325 HydrophobicContact CZ-CB 3.93Å; F216-F325 AromaticContact CZ-CD1 3.74Å; F216-F325 HydrophobicContact CZ-CD1 3.74Å; F216-F325 AromaticContact CZ-CG 3.98Å; F216-F325 HydrophobicContact CZ-CG 3.98Å; F216-I328 HydrophobicContact CD1-CG2 3.98Å; F216-I328 HydrophobicContact CE1-CB 4.09Å; F216-I328 HydrophobicContact CE1-CG2 3.76Å; F216-K329 HydrophobicContact CD1-CG 3.86Å; F216-K329 HydrophobicContact CE1-CD 4.42Å; F216-K329 HydrophobicContact CE1-CG 3.79Å; F216-Y334 HydrophobicContact CD1-CD2 4.37Å
217	L	91.1	Very high	91	Very high	56 Å²	56	48.6 Å²	48.6	29%	0.293	25%	0.246	S	C	.	.	S	Bend	trans	-77.7	65.6	177.7	-61.5	173.8	0	0	0	110.8	E298 Y334 A336 R337	L217-E298 HydrophobicContact CD2-CB 4.14Å; L217-Y334 PolarHBondContact N-O 2.92Å; L217-A336 VanDerWaalsContact CD1-O 3.32Å; L217-A336 WeakPolarHBondContact CD1-O 3.49Å; L217-R337 HydrophobicContact CD1-CG 3.7Å
218	T	91.5	Very high	91.4	Very high	22 Å²	22	46.4 Å²	46.4	14%	0.135	23%	0.231	C	C	.	.	S	Bend	trans	-156.3	168.6	179.4	-167.6	0	0	0	0	110.1	F216 E222 L223 T299 Y334	F216-T218 HydrophobicContact CB-CG2 4.02Å; F216-T218 PolarHBondContact O-N 3.33Å; T218-E222 WeakPolarHBondContact OG1-CB 3.46Å; T218-L223 HydrophobicContact CG2-CB 3.81Å; T218-L223 HydrophobicContact CG2-CD1 4.32Å; T218-L223 HydrophobicContact CG2-CG 4.49Å; T218-T299 PolarHBondContact O-N 3.18Å; T218-T299 PolarHBondContact O-OG1 3.2Å; T218-Y334 HydrophobicContact CG2-CD1 4.26Å; T218-Y334 HydrophobicContact CG2-CD2 3.74Å; T218-Y334 HydrophobicContact CG2-CE1 4.35Å; T218-Y334 HydrophobicContact CG2-CE2 3.83Å; T218-Y334 HydrophobicContact CG2-CG 3.98Å
219	S	92.8	Very high	92.1	Very high	57 Å²	57	48.3 Å²	48.3	40%	0.399	24%	0.24	S	C	.	.			trans	-76.3	155.5	173.8	67.9	0	0	0	0	111.5	A221 E222 L223	S219-A221 PolarHBondContact O-N 2.88Å; S219-E222 PolarHBondContact O-N 2.89Å; S219-E222 PolarHBondContact OG-N 2.75Å; S219-L223 PolarHBondContact O-N 3.26Å; S219-L223 VanDerWaalsContact O-N 3.11Å
220	P	92.5	Very high	92.2	Very high	18 Å²	18	43.8 Å²	43.8	12%	0.117	22%	0.222	C	C	.	.	H	α-helix	trans	-56.4	-38.6	177.4	-27.4	34.8	0	0	0	112.8	L223 Y224 D268 F292 D294 T299	P220-L223 PolarHBondContact O-N 3.03Å; P220-Y224 WeakPolarHBondContact O-CB 3.38Å; P220-Y224 PolarHBondContact O-N 2.84Å; P220-D268 WeakPolarHBondContact CB-O 3.37Å; P220-F292 HydrophobicContact CB-CB 4.14Å; P220-D294 HydrophobicContact CG-CB 3.87Å; P220-T299 HydrophobicContact CB-CG2 4.3Å; P220-T299 VanDerWaalsContact CD-OG1 3.25Å; P220-T299 WeakPolarHBondContact CD-OG1 3.49Å; P220-T299 HydrophobicContact CG-CG2 4.19Å
221	A	92.1	Very high	92.3	Very high	37 Å²	37	49.8 Å²	49.8	31%	0.306	25%	0.25	S	S	.	.	H	α-helix	trans	-62.6	-42	178.5	0	0	0	0	0	113.5	S219 R225 D268	S219-A221 PolarHBondContact O-N 2.88Å; A221-R225 WeakPolarHBondContact O-CB 3.33Å; A221-R225 PolarHBondContact O-N 2.94Å; A221-D268 VanDerWaalsContact CA-OD1 3.25Å; A221-D268 WeakPolarHBondContact CA-OD1 3.34Å; A221-D268 WeakPolarHBondContact CB-OD1 3.32Å
222	E	92.3	Very high	92.3	Very high	65 Å²	65	48.7 Å²	48.7	30%	0.304	24%	0.241	S	C	.	.	H	α-helix	trans	-70.3	-43.2	177.5	-75.7	-57.5	130.6	0	0	111.3	T218 S219 Y224 R225 V226	T218-E222 WeakPolarHBondContact OG1-CB 3.46Å; S219-E222 PolarHBondContact O-N 2.89Å; S219-E222 PolarHBondContact OG-N 2.75Å; E222-Y224 VanDerWaalsContact C-N 3.3Å; E222-Y224 PolarHBondContact O-N 3.02Å; E222-R225 PolarHBondContact O-N 3.06Å; E222-R225 IonicContact OE1-CZ 3.49Å; E222-R225 IonicContact OE1-NE 2.73Å; E222-R225 IonicContact OE1-NH2 2.67Å; E222-R225 IonicContact OE2-CZ 2.75Å; E222-R225 IonicContact OE2-NE 3.91Å; E222-R225 PolarHBondContact OE2-NE 2.89Å; E222-R225 IonicContact OE2-NH2 3.52Å; E222-R225 PolarHBondContact OE2-NH2 3.41Å; E222-V226 WeakPolarHBondContact O-CG2 3.26Å; E222-V226 PolarHBondContact O-N 3.28Å; E222-V226 VanDerWaalsContact O-N 3.14Å
223	L	93.4	Very high	92.4	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.7	-39.3	176.8	-165.5	61.1	0	0	0	111.4	F216 T218 S219 P220 R225 V226 F227 F292 T299 L301 I328 Y334	F216-L223 HydrophobicContact CB-CD1 4.33Å; F216-L223 HydrophobicContact CB-CD2 4.01Å; F216-L223 HydrophobicContact CD1-CD1 3.93Å; F216-L223 HydrophobicContact CD2-CD1 4.39Å; F216-L223 HydrophobicContact CD2-CD2 3.62Å; F216-L223 HydrophobicContact CE1-CD1 4.35Å; F216-L223 HydrophobicContact CE2-CD2 4.26Å; F216-L223 HydrophobicContact CG-CD1 3.96Å; F216-L223 HydrophobicContact CG-CD2 3.82Å; T218-L223 HydrophobicContact CG2-CB 3.81Å; T218-L223 HydrophobicContact CG2-CD1 4.32Å; T218-L223 HydrophobicContact CG2-CG 4.49Å; S219-L223 PolarHBondContact O-N 3.26Å; S219-L223 VanDerWaalsContact O-N 3.11Å; P220-L223 PolarHBondContact O-N 3.03Å; L223-R225 VanDerWaalsContact C-N 3.34Å; L223-R225 PolarHBondContact O-N 3.12Å; L223-V226 PolarHBondContact O-N 3.41Å; L223-F227 HydrophobicContact CD1-CE2 4.35Å; L223-F227 HydrophobicContact CG-CE2 4.3Å; L223-F227 VanDerWaalsContact O-CD2 3.31Å; L223-F227 WeakPolarHBondContact O-CD2 3.39Å; L223-F292 HydrophobicContact CB-CD1 4.1Å; L223-F292 HydrophobicContact CB-CE1 4.1Å; L223-F292 HydrophobicContact CD2-CD1 3.94Å; L223-F292 HydrophobicContact CD2-CE1 4.06Å; L223-F292 HydrophobicContact CG-CD1 4.08Å; L223-F292 HydrophobicContact CG-CE1 3.83Å; L223-T299 HydrophobicContact CD2-CG2 3.87Å; L223-L301 HydrophobicContact CD2-CB 4.06Å; L223-L301 HydrophobicContact CD2-CD1 4.5Å; L223-L301 HydrophobicContact CD2-CD2 4.37Å; L223-I328 HydrophobicContact CD1-CG2 4Å; L223-Y334 HydrophobicContact CD1-CD2 4.13Å; L223-Y334 HydrophobicContact CD1-CE2 4.27Å
224	Y	94.1	Very high	92.2	Very high	24 Å²	24	44 Å²	44	9%	0.094	23%	0.225	C	C	.	.	H	α-helix	trans	-58.1	-46.3	174.7	-177.2	-94.1	0	0	0	111.5	P220 E222 V226 F227 L228 V266 I271 F292	P220-Y224 WeakPolarHBondContact O-CB 3.38Å; P220-Y224 PolarHBondContact O-N 2.84Å; E222-Y224 VanDerWaalsContact C-N 3.3Å; E222-Y224 PolarHBondContact O-N 3.02Å; Y224-V226 VanDerWaalsContact C-N 3.3Å; Y224-V226 PolarHBondContact O-N 3.47Å; Y224-F227 PolarHBondContact O-N 3.17Å; Y224-L228 HydrophobicContact CD1-CD1 3.92Å; Y224-L228 HydrophobicContact CE1-CD1 3.23Å; Y224-L228 HydrophobicContact CE1-CG 4.39Å; Y224-L228 HydrophobicContact CE2-CD1 4.45Å; Y224-V266 WeakPolarHBondContact CE2-O 3.25Å; Y224-I271 HydrophobicContact CD2-CD1 3.71Å; Y224-I271 HydrophobicContact CD2-CG1 3.72Å; Y224-I271 HydrophobicContact CE2-CD1 3.71Å; Y224-I271 HydrophobicContact CE2-CG1 3.3Å; Y224-I271 HydrophobicContact CG-CD1 4.38Å; Y224-F292 HydrophobicContact CD2-CD2 4.11Å; Y224-F292 AromaticContact CD2-CE2 3.73Å; Y224-F292 HydrophobicContact CD2-CE2 3.73Å; Y224-F292 HydrophobicContact CD2-CZ 4.16Å; Y224-F292 HydrophobicContact CE2-CE2 4.48Å
225	R	92.9	Very high	92.1	Very high	111 Å²	111	44.1 Å²	44.1	42%	0.419	23%	0.232	S	C	.	.	H	α-helix	trans	-62.4	-34.2	178.8	-169.2	169.9	68.6	136.7	-1.9	113.1	A221 E222 L223 F227 L228 N229	A221-R225 WeakPolarHBondContact O-CB 3.33Å; A221-R225 PolarHBondContact O-N 2.94Å; E222-R225 PolarHBondContact O-N 3.06Å; E222-R225 IonicContact OE1-CZ 3.49Å; E222-R225 IonicContact OE1-NE 2.73Å; E222-R225 IonicContact OE1-NH2 2.67Å; E222-R225 IonicContact OE2-CZ 2.75Å; E222-R225 IonicContact OE2-NE 3.91Å; E222-R225 PolarHBondContact OE2-NE 2.89Å; E222-R225 IonicContact OE2-NH2 3.52Å; E222-R225 PolarHBondContact OE2-NH2 3.41Å; L223-R225 VanDerWaalsContact C-N 3.34Å; L223-R225 PolarHBondContact O-N 3.12Å; R225-F227 PolarHBondContact O-N 3.38Å; R225-L228 PolarHBondContact O-N 2.88Å; R225-N229 HydrophobicContact CG-CB 4.42Å; R225-N229 WeakPolarHBondContact O-CB 3.09Å; R225-N229 PolarHBondContact O-N 2.69Å
226	V	94.1	Very high	92	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-60.6	-32.3	178	168.7	0	0	0	0	112.5	E222 L223 Y224 V233 F236 I328 F332 Y334	E222-V226 WeakPolarHBondContact O-CG2 3.26Å; E222-V226 PolarHBondContact O-N 3.28Å; E222-V226 VanDerWaalsContact O-N 3.14Å; L223-V226 PolarHBondContact O-N 3.41Å; Y224-V226 VanDerWaalsContact C-N 3.3Å; Y224-V226 PolarHBondContact O-N 3.47Å; V226-V233 WeakPolarHBondContact O-CG2 3.48Å; V226-F236 HydrophobicContact CG1-CD1 3.82Å; V226-F236 HydrophobicContact CG1-CE1 3.84Å; V226-I328 HydrophobicContact CG1-CD1 3.91Å; V226-I328 HydrophobicContact CG1-CG1 3.9Å; V226-I328 HydrophobicContact CG1-CG2 4.31Å; V226-F332 HydrophobicContact CB-CE2 4.49Å; V226-F332 HydrophobicContact CG1-CD2 4.27Å; V226-F332 HydrophobicContact CG1-CE2 3.68Å; V226-F332 HydrophobicContact CG1-CZ 4.44Å; V226-F332 HydrophobicContact CG2-CD2 4.1Å; V226-F332 HydrophobicContact CG2-CE2 3.92Å; V226-F332 HydrophobicContact CG2-CZ 4.33Å; V226-Y334 HydrophobicContact CG2-CE2 4.05Å
227	F	92.7	Very high	91.6	Very high	13 Å²	13	42.1 Å²	42.1	6%	0.057	22%	0.22	C	C	.	.	H	α-helix	trans	-82.3	-20.6	179.4	-75.5	-88.2	0	0	0	114	L223 Y224 R225 I271 L290 F292 L301 W320 Y324 I328	L223-F227 HydrophobicContact CD1-CE2 4.35Å; L223-F227 HydrophobicContact CG-CE2 4.3Å; L223-F227 VanDerWaalsContact O-CD2 3.31Å; L223-F227 WeakPolarHBondContact O-CD2 3.39Å; Y224-F227 PolarHBondContact O-N 3.17Å; R225-F227 PolarHBondContact O-N 3.38Å; F227-I271 HydrophobicContact CB-CD1 3.83Å; F227-L290 HydrophobicContact CD1-CD1 3.77Å; F227-L290 HydrophobicContact CD2-CD1 4.4Å; F227-L290 HydrophobicContact CE1-CD1 3.97Å; F227-L290 HydrophobicContact CE1-CD2 4.4Å; F227-L290 HydrophobicContact CG-CD1 4Å; F227-L290 HydrophobicContact CZ-CD1 4.42Å; F227-L290 HydrophobicContact CZ-CD2 4.46Å; F227-F292 HydrophobicContact CD2-CE1 4.21Å; F227-F292 HydrophobicContact CD2-CZ 4.12Å; F227-F292 HydrophobicContact CE2-CE1 4.32Å; F227-L301 HydrophobicContact CE2-CD2 4Å; F227-L301 HydrophobicContact CZ-CD2 3.84Å; F227-W320 HydrophobicContact CE1-CZ3 4.21Å; F227-Y324 AromaticContact CE1-CD1 3.78Å; F227-Y324 HydrophobicContact CE1-CD1 3.78Å; F227-Y324 HydrophobicContact CE1-CE1 4.39Å; F227-I328 HydrophobicContact CE1-CD1 4.36Å; F227-I328 HydrophobicContact CE2-CD1 4.03Å; F227-I328 HydrophobicContact CZ-CD1 3.76Å
228	L	92.6	Very high	91.3	Very high	25 Å²	25	48.4 Å²	48.4	13%	0.131	24%	0.24	C	C	.	.	H	α-helix	trans	-104.2	-26.2	-174.9	-62.7	-177.8	0	0	0	114	Y224 R225 V243 F262 L265 I271	Y224-L228 HydrophobicContact CD1-CD1 3.92Å; Y224-L228 HydrophobicContact CE1-CD1 3.23Å; Y224-L228 HydrophobicContact CE1-CG 4.39Å; Y224-L228 HydrophobicContact CE2-CD1 4.45Å; R225-L228 PolarHBondContact O-N 2.88Å; L228-V243 WeakPolarHBondContact O-CG1 3.38Å; L228-F262 HydrophobicContact CD2-CD1 4.14Å; L228-F262 HydrophobicContact CD2-CE1 3.74Å; L228-F262 HydrophobicContact CD2-CE2 4.18Å; L228-F262 HydrophobicContact CD2-CZ 3.76Å; L228-L265 HydrophobicContact CD1-CD1 4.48Å; L228-L265 HydrophobicContact CD1-CD2 4.38Å; L228-L265 HydrophobicContact CD2-CD1 4.23Å; L228-L265 HydrophobicContact CD2-CD2 3.72Å; L228-I271 HydrophobicContact CD2-CD1 4.12Å; L228-I271 HydrophobicContact CG-CD1 4.11Å
229	N	92.7	Very high	90.7	Very high	55 Å²	55	48.7 Å²	48.7	29%	0.294	24%	0.242	S	C	.	.			trans	-87.2	122.6	-178.5	-173.2	-47	0	0	0	111.1	R225 E231 M232 V233	R225-N229 HydrophobicContact CG-CB 4.42Å; R225-N229 WeakPolarHBondContact O-CB 3.09Å; R225-N229 PolarHBondContact O-N 2.69Å; N229-E231 VanDerWaalsContact C-N 3.33Å; N229-E231 PolarHBondContact O-N 3.31Å; N229-E231 WeakPolarHBondContact OD1-CB 3.47Å; N229-E231 PolarHBondContact OD1-N 2.96Å; N229-M232 HydrophobicContact CB-CB 4.18Å; N229-M232 HydrophobicContact CB-CG 3.91Å; N229-M232 PolarHBondContact O-N 2.65Å; N229-V233 WeakPolarHBondContact O-CG2 3.27Å; N229-V233 PolarHBondContact O-N 2.77Å
230	Q	91.6	Very high	90.2	Very high	77 Å²	77	50.9 Å²	50.9	36%	0.36	26%	0.255	S	S	.	.	H	α-helix	trans	-53.9	-44.3	179.1	-175.8	178.8	-78.1	0	0	113.6	M232 V233 Q234 A241 V243	Q230-M232 VanDerWaalsContact C-N 3.35Å; Q230-M232 PolarHBondContact O-N 3.44Å; Q230-V233 PolarHBondContact O-N 2.86Å; Q230-Q234 HydrophobicContact CG-CG 4.41Å; Q230-Q234 WeakPolarHBondContact O-CB 2.92Å; Q230-Q234 WeakPolarHBondContact O-CG 3.28Å; Q230-Q234 PolarHBondContact O-N 3.08Å; Q230-A241 WeakPolarHBondContact CG-O 3.19Å; Q230-V243 HydrophobicContact CB-CB 4.12Å
231	E	91.4	Very high	89.9	Confident	145 Å²	145	50.1 Å²	50.1	68%	0.678	25%	0.251	S	S	*	.	H	α-helix	trans	-65.5	-41	-177.2	-61.6	179.8	174	0	0	111.1	N229 V233 Q234 A235	N229-E231 VanDerWaalsContact C-N 3.33Å; N229-E231 PolarHBondContact O-N 3.31Å; N229-E231 WeakPolarHBondContact OD1-CB 3.47Å; N229-E231 PolarHBondContact OD1-N 2.96Å; E231-V233 VanDerWaalsContact C-N 3.34Å; E231-Q234 PolarHBondContact O-N 3.37Å; E231-A235 WeakPolarHBondContact O-CB 3.32Å; E231-A235 PolarHBondContact O-N 2.86Å
232	M	91.7	Very high	89.8	Confident	43 Å²	43	52.6 Å²	52.6	21%	0.212	26%	0.262	C	S	.	.	H	α-helix	trans	-64.7	-42	175.9	-63.7	-67.2	-172.9	0	0	110.9	N229 Q230 A235 F236 F332	N229-M232 HydrophobicContact CB-CB 4.18Å; N229-M232 HydrophobicContact CB-CG 3.91Å; N229-M232 PolarHBondContact O-N 2.65Å; Q230-M232 VanDerWaalsContact C-N 3.35Å; Q230-M232 PolarHBondContact O-N 3.44Å; M232-A235 WeakPolarHBondContact O-CB 3.37Å; M232-A235 PolarHBondContact O-N 2.84Å; M232-F236 VanDerWaalsContact O-CD1 3.22Å; M232-F236 WeakPolarHBondContact O-CD1 3.47Å; M232-F236 PolarHBondContact O-N 3.46Å; M232-F236 VanDerWaalsContact O-N 3.14Å; M232-F332 HydrophobicContact CB-CZ 3.95Å; M232-F332 HydrophobicContact CG-CZ 4.44Å; M232-F332 WeakPolarHBondContact O-CZ 3.35Å; M232-F332 HydrophobicContact SD-CD1 4.32Å; M232-F332 HydrophobicContact SD-CE1 3.38Å; M232-F332 WeakPolarHBondContact SD-CE1 3.42Å; M232-F332 HydrophobicContact SD-CZ 3.68Å
233	V	91.3	Very high	89.8	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.012	25%	0.252	C	S	.	.	H	α-helix	trans	-65.7	-42.8	178.1	178.7	0	0	0	0	111.9	V226 N229 Q230 E231 A235 F236 T237 A241 V243 L253	V226-V233 WeakPolarHBondContact O-CG2 3.48Å; N229-V233 WeakPolarHBondContact O-CG2 3.27Å; N229-V233 PolarHBondContact O-N 2.77Å; Q230-V233 PolarHBondContact O-N 2.86Å; E231-V233 VanDerWaalsContact C-N 3.34Å; V233-A235 VanDerWaalsContact C-N 3.29Å; V233-A235 PolarHBondContact O-N 3.12Å; V233-F236 VanDerWaalsContact CA-CE1 3.47Å; V233-F236 HydrophobicContact CB-CE1 4Å; V233-F236 HydrophobicContact CB-CZ 4.44Å; V233-F236 HydrophobicContact CG1-CE1 4.04Å; V233-F236 HydrophobicContact CG1-CZ 3.97Å; V233-F236 HydrophobicContact CG2-CE1 3.84Å; V233-F236 HydrophobicContact CG2-CZ 4.35Å; V233-F236 PolarHBondContact O-N 3.32Å; V233-T237 HydrophobicContact CG1-CG2 4.07Å; V233-T237 WeakPolarHBondContact O-CB 3.2Å; V233-T237 VanDerWaalsContact O-CG2 3.28Å; V233-T237 WeakPolarHBondContact O-CG2 3.3Å; V233-T237 PolarHBondContact O-N 3.49Å; V233-T237 PolarHBondContact O-OG1 3.36Å; V233-A241 HydrophobicContact CG1-CB 4.09Å; V233-V243 HydrophobicContact CB-CG2 3.95Å; V233-V243 HydrophobicContact CG1-CG2 3.98Å; V233-V243 HydrophobicContact CG2-CG2 4.04Å; V233-L253 HydrophobicContact CG1-CD1 4.25Å; V233-L253 HydrophobicContact CG1-CD2 3.35Å; V233-L253 HydrophobicContact CG1-CG 4.37Å
234	Q	89.9	Confident	89.7	Confident	71 Å²	71	53.8 Å²	53.8	33%	0.332	27%	0.271	S	S	.	.	H	α-helix	trans	-60.6	-39.3	173	-73.2	-178.9	4.2	0	0	111.8	Q230 E231 T237 R238 A241	Q230-Q234 HydrophobicContact CG-CG 4.41Å; Q230-Q234 WeakPolarHBondContact O-CB 2.92Å; Q230-Q234 WeakPolarHBondContact O-CG 3.28Å; Q230-Q234 PolarHBondContact O-N 3.08Å; E231-Q234 PolarHBondContact O-N 3.37Å; Q234-T237 PolarHBondContact O-OG1 3.5Å; Q234-R238 WeakPolarHBondContact O-CA 3.45Å; Q234-R238 PolarHBondContact O-N 3.41Å; Q234-A241 HydrophobicContact CG-CB 3.82Å; Q234-A241 PolarHBondContact NE2-O 3.17Å
235	A	89.9	Confident	89.5	Confident	44 Å²	44	54 Å²	54	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-61.4	-49.8	179.4	0	0	0	0	0	112.3	E231 M232 V233 T331 F332	E231-A235 WeakPolarHBondContact O-CB 3.32Å; E231-A235 PolarHBondContact O-N 2.86Å; M232-A235 WeakPolarHBondContact O-CB 3.37Å; M232-A235 PolarHBondContact O-N 2.84Å; V233-A235 VanDerWaalsContact C-N 3.29Å; V233-A235 PolarHBondContact O-N 3.12Å; A235-T331 HydrophobicContact CB-CG2 3.99Å; A235-F332 HydrophobicContact CB-CE1 4.41Å; A235-F332 HydrophobicContact CB-CZ 4.12Å
236	F	89.4	Confident	89.3	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.018	29%	0.292	C	S	.	.	H	α-helix	trans	-78.9	-32.2	-178	78.4	-106.6	0	0	0	113.1	V226 M232 V233 R238 Y323 Y324 A327 I328 T331 F332	V226-F236 HydrophobicContact CG1-CD1 3.82Å; V226-F236 HydrophobicContact CG1-CE1 3.84Å; M232-F236 VanDerWaalsContact O-CD1 3.22Å; M232-F236 WeakPolarHBondContact O-CD1 3.47Å; M232-F236 PolarHBondContact O-N 3.46Å; M232-F236 VanDerWaalsContact O-N 3.14Å; V233-F236 VanDerWaalsContact CA-CE1 3.47Å; V233-F236 HydrophobicContact CB-CE1 4Å; V233-F236 HydrophobicContact CB-CZ 4.44Å; V233-F236 HydrophobicContact CG1-CE1 4.04Å; V233-F236 HydrophobicContact CG1-CZ 3.97Å; V233-F236 HydrophobicContact CG2-CE1 3.84Å; V233-F236 HydrophobicContact CG2-CZ 4.35Å; V233-F236 PolarHBondContact O-N 3.32Å; F236-R238 VanDerWaalsContact C-N 3.28Å; F236-R238 PolarHBondContact O-N 2.95Å; F236-Y323 WeakPolarHBondContact CD2-O 3.22Å; F236-Y323 WeakPolarHBondContact CE2-O 3.28Å; F236-Y324 HydrophobicContact CE2-CD1 4.12Å; F236-Y324 HydrophobicContact CE2-CG 4.49Å; F236-Y324 HydrophobicContact CZ-CD1 4.12Å; F236-Y324 HydrophobicContact CZ-CE1 4.48Å; F236-A327 HydrophobicContact CB-CB 4.3Å; F236-A327 HydrophobicContact CD2-CB 3.98Å; F236-A327 WeakPolarHBondContact O-CB 3.43Å; F236-I328 HydrophobicContact CB-CG1 4.09Å; F236-I328 HydrophobicContact CD1-CD1 4.37Å; F236-I328 HydrophobicContact CD1-CG1 3.72Å; F236-I328 HydrophobicContact CD2-CG1 3.92Å; F236-I328 HydrophobicContact CE1-CD1 4.17Å; F236-I328 HydrophobicContact CE1-CG1 4.03Å; F236-I328 HydrophobicContact CE2-CD1 4.47Å; F236-I328 HydrophobicContact CE2-CG1 4.27Å; F236-I328 HydrophobicContact CG-CG1 3.66Å; F236-I328 HydrophobicContact CZ-CD1 4.27Å; F236-I328 HydrophobicContact CZ-CG1 4.33Å; F236-T331 WeakPolarHBondContact CA-OG1 3.35Å; F236-T331 HydrophobicContact CB-CG2 4.29Å; F236-F332 HydrophobicContact CB-CE2 3.97Å; F236-F332 HydrophobicContact CD1-CE2 4.09Å
237	T	84.3	Confident	89.1	Confident	14 Å²	14	64.8 Å²	64.8	9%	0.086	33%	0.327	C	S	.	.	H	α-helix	trans	-74.3	-21	177	57.1	0	0	0	0	112.9	V233 Q234 S239 L254	V233-T237 HydrophobicContact CG1-CG2 4.07Å; V233-T237 WeakPolarHBondContact O-CB 3.2Å; V233-T237 VanDerWaalsContact O-CG2 3.28Å; V233-T237 WeakPolarHBondContact O-CG2 3.3Å; V233-T237 PolarHBondContact O-N 3.49Å; V233-T237 PolarHBondContact O-OG1 3.36Å; Q234-T237 PolarHBondContact O-OG1 3.5Å; T237-S239 PolarHBondContact O-N 2.83Å; T237-S239 PolarHBondContact OG1-O 3.47Å; T237-L254 HydrophobicContact CG2-CD2 4.08Å
238	R	83.4	Confident	88.8	Confident	188 Å²	188	66.5 Å²	66.5	71%	0.709	35%	0.348	S	S	*	.			trans	55.6	24.3	-174.4	-54.1	-177.8	-178.5	170.5	3.2	113.4	Q234 F236	Q234-R238 WeakPolarHBondContact O-CA 3.45Å; Q234-R238 PolarHBondContact O-N 3.41Å; F236-R238 VanDerWaalsContact C-N 3.28Å; F236-R238 PolarHBondContact O-N 2.95Å
239	S	79.6	Confident	88.6	Confident	28 Å²	28	65.4 Å²	65.4	20%	0.196	34%	0.343	C	S	.	.	S	Bend	trans	-139.3	157.5	-178.3	-64.2	0	0	0	0	110.1	T237 A241	T237-S239 PolarHBondContact O-N 2.83Å; T237-S239 PolarHBondContact OG1-O 3.47Å; S239-A241 PolarHBondContact O-N 2.98Å
240	P	81.9	Confident	88.5	Confident	103 Å²	103	69.7 Å²	69.7	67%	0.669	36%	0.359	S	S	*	.			trans	-56.2	127.1	170.7	-23.6	34.1	0	0	0	110.9
241	A	86.8	Confident	88.4	Confident	3 Å²	3	66.4 Å²	66.4	3%	0.025	34%	0.344	C	S	.	.			trans	-136.3	141.6	178.8	0	0	0	0	0	110.2	Q230 V233 Q234 S239 R252 L253	Q230-A241 WeakPolarHBondContact CG-O 3.19Å; V233-A241 HydrophobicContact CG1-CB 4.09Å; Q234-A241 HydrophobicContact CG-CB 3.82Å; Q234-A241 PolarHBondContact NE2-O 3.17Å; S239-A241 PolarHBondContact O-N 2.98Å; A241-R252 CarbonylContact C-O 3.57Å; A241-R252 VanDerWaalsContact CA-O 3.29Å; A241-R252 WeakPolarHBondContact CA-O 3.28Å; A241-L253 HydrophobicContact CB-CD2 3.77Å
242	T	89.3	Confident	88.3	Confident	89 Å²	89	66.7 Å²	66.7	55%	0.546	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.5	172.1	-53	0	0	0	0	107.4	F251 R252	T242-F251 CarbonylContact O-C 3.54Å; T242-F251 WeakPolarHBondContact O-CA 3.3Å; T242-R252 PolarHBondContact N-O 3.34Å; T242-R252 PolarHBondContact O-N 3.4Å
243	V	93.1	Very high	88	Confident	14 Å²	14	65 Å²	65	9%	0.085	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	119.1	-179.5	-175.8	0	0	0	0	108.6	L228 Q230 V233 F251 L253 F262	L228-V243 WeakPolarHBondContact O-CG1 3.38Å; Q230-V243 HydrophobicContact CB-CB 4.12Å; V233-V243 HydrophobicContact CB-CG2 3.95Å; V233-V243 HydrophobicContact CG1-CG2 3.98Å; V233-V243 HydrophobicContact CG2-CG2 4.04Å; V243-F251 HydrophobicContact CG1-CB 4.33Å; V243-F251 HydrophobicContact CG2-CB 4.25Å; V243-L253 HydrophobicContact CG2-CD2 3.68Å; V243-F262 HydrophobicContact CG1-CE2 3.98Å; V243-F262 HydrophobicContact CG1-CZ 4.18Å
244	D	91.8	Very high	87.3	Confident	75 Å²	75	66 Å²	66	40%	0.401	34%	0.336	S	S	.	.			trans	-100.8	102.9	169.3	-178.7	1.1	0	0	0	108.3	E246 G249 K250 F262	D244-E246 PolarHBondContact O-N 2.85Å; D244-E246 VanDerWaalsContact O-N 3.09Å; D244-G249 WeakPolarHBondContact O-CA 3.3Å; D244-G249 WeakPolarHBondContact OD2-CA 2.98Å; D244-K250 WeakPolarHBondContact CB-O 3.37Å; D244-K250 PolarHBondContact N-O 2.7Å; D244-F262 WeakPolarHBondContact O-CD2 3.35Å; D244-F262 VanDerWaalsContact O-CE2 3.25Å; D244-F262 WeakPolarHBondContact O-CE2 3.36Å
245	G	90.3	Very high	86.6	Confident	29 Å²	29	69.7 Å²	69.7	30%	0.299	35%	0.353	S	S	.	.			trans	-76.9	17.9	-171	0	0	0	0	0	115.3	L265	G245-L265 WeakPolarHBondContact O-CD1 3.37Å
246	E	88.5	Confident	85.8	Confident	139 Å²	139	68.3 Å²	68.3	65%	0.65	34%	0.343	S	S	*	.	S	Bend	trans	-100.5	164.3	179.5	-61.6	-170	168.9	0	0	112.3	D244 G248 G249	D244-E246 PolarHBondContact O-N 2.85Å; D244-E246 VanDerWaalsContact O-N 3.09Å; E246-G248 PolarHBondContact O-N 3.49Å; E246-G249 WeakPolarHBondContact O-CA 3.42Å; E246-G249 PolarHBondContact O-N 3.4Å
247	R	89.3	Confident	84.9	Confident	200 Å²	200	71.5 Å²	71.5	76%	0.755	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	121.5	175	-175.3	-175.9	-179.4	-166.9	-1.7	109.4	G249 T263	R247-G249 VanDerWaalsContact C-N 3.28Å; R247-T263 PolarHBondContact NE-O 2.85Å
248	G	87.1	Confident	84.9	Confident	48 Å²	48	70.8 Å²	70.8	50%	0.495	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	88	-5.3	-171.2	0	0	0	0	0	113.5	E246 F262	E246-G248 PolarHBondContact O-N 3.49Å; G248-F262 VanDerWaalsContact CA-O 3.23Å; G248-F262 WeakPolarHBondContact CA-O 3.35Å; G248-F262 PolarHBondContact N-O 2.88Å
249	G	87.6	Confident	85	Confident	2 Å²	2	64.3 Å²	64.3	2%	0.021	33%	0.333	C	S	.	.			trans	-64.2	144.8	175.7	0	0	0	0	0	111.6	D244 E246 R247 E261 F262	D244-G249 WeakPolarHBondContact O-CA 3.3Å; D244-G249 WeakPolarHBondContact OD2-CA 2.98Å; E246-G249 WeakPolarHBondContact O-CA 3.42Å; E246-G249 PolarHBondContact O-N 3.4Å; R247-G249 VanDerWaalsContact C-N 3.28Å; G249-E261 CarbonylContact O-C 3.57Å; G249-E261 VanDerWaalsContact O-CA 3.31Å; G249-E261 WeakPolarHBondContact O-CA 3.32Å; G249-F262 WeakPolarHBondContact O-CD2 3.23Å; G249-F262 PolarHBondContact O-N 3.23Å
250	K	89.8	Confident	85.6	Confident	145 Å²	145	63.3 Å²	63.3	63%	0.63	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	148.3	-179.7	-65.4	-179.7	-177.9	178.5	0	110.7	D244 G260 E261	D244-K250 WeakPolarHBondContact CB-O 3.37Å; D244-K250 PolarHBondContact N-O 2.7Å; K250-G260 WeakPolarHBondContact CA-O 3.37Å; K250-E261 HydrophobicContact CG-CB 4.39Å
251	F	90.6	Very high	86	Confident	8 Å²	8	61.1 Å²	61.1	4%	0.035	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	149.9	172.4	61.3	-94.6	0	0	0	111.8	T242 V243 L253 V258 F259 G260 F262 M273 K274 W275	T242-F251 CarbonylContact O-C 3.54Å; T242-F251 WeakPolarHBondContact O-CA 3.3Å; V243-F251 HydrophobicContact CG1-CB 4.33Å; V243-F251 HydrophobicContact CG2-CB 4.25Å; F251-L253 HydrophobicContact CD2-CD1 4.15Å; F251-L253 HydrophobicContact CD2-CG 4.03Å; F251-V258 HydrophobicContact CE2-CG1 4.35Å; F251-F259 WeakPolarHBondContact O-CA 3.45Å; F251-F259 WeakPolarHBondContact O-CB 2.99Å; F251-G260 VanDerWaalsContact CE1-C 3.48Å; F251-G260 VanDerWaalsContact CZ-CA 3.49Å; F251-G260 PolarHBondContact N-O 3.26Å; F251-G260 PolarHBondContact O-N 2.9Å; F251-F262 HydrophobicContact CB-CE2 4.35Å; F251-F262 HydrophobicContact CD1-CD1 4.48Å; F251-F262 HydrophobicContact CD1-CD2 4.09Å; F251-F262 HydrophobicContact CD1-CE1 4.11Å; F251-F262 AromaticContact CD1-CE2 3.69Å; F251-F262 HydrophobicContact CD1-CE2 3.69Å; F251-F262 HydrophobicContact CD1-CG 4.47Å; F251-F262 AromaticContact CD1-CZ 3.7Å; F251-F262 HydrophobicContact CD1-CZ 3.7Å; F251-F262 HydrophobicContact CE1-CD1 4.42Å; F251-F262 HydrophobicContact CE1-CE1 4.21Å; F251-F262 HydrophobicContact CE1-CZ 4.27Å; F251-F262 HydrophobicContact CG-CE2 4.43Å; F251-F262 HydrophobicContact CG-CZ 4.39Å; F251-M273 HydrophobicContact CE1-CB 3.89Å; F251-M273 HydrophobicContact CE1-CG 4.35Å; F251-M273 HydrophobicContact CE1-SD 3.76Å; F251-M273 HydrophobicContact CE2-SD 4.49Å; F251-M273 HydrophobicContact CZ-CB 4.24Å; F251-M273 HydrophobicContact CZ-CG 4.28Å; F251-M273 HydrophobicContact CZ-SD 3.58Å; F251-M273 VanDerWaalsContact CZ-SD 3.58Å; F251-K274 WeakPolarHBondContact CZ-O 3.24Å; F251-W275 AromaticContact CE2-CD1 3.96Å
252	R	88.1	Confident	86.3	Confident	151 Å²	151	61.2 Å²	61.2	57%	0.57	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.2	116.5	175.9	-176.5	178.7	-74	175.9	-3.1	108.8	A241 T242 V258 F259	A241-R252 CarbonylContact C-O 3.57Å; A241-R252 VanDerWaalsContact CA-O 3.29Å; A241-R252 WeakPolarHBondContact CA-O 3.28Å; T242-R252 PolarHBondContact N-O 3.34Å; T242-R252 PolarHBondContact O-N 3.4Å; R252-V258 CarbonylContact C-O 3.53Å; R252-V258 WeakPolarHBondContact CA-O 3.3Å; R252-F259 HydrophobicContact CB-CB 4.47Å
253	L	86	Confident	86.4	Confident	9 Å²	9	59.2 Å²	59.2	5%	0.047	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	164.3	-171	-46.3	-177.8	0	0	0	110.7	V233 A241 V243 F251 E255 G256 N257 V258 Y324	V233-L253 HydrophobicContact CG1-CD1 4.25Å; V233-L253 HydrophobicContact CG1-CD2 3.35Å; V233-L253 HydrophobicContact CG1-CG 4.37Å; A241-L253 HydrophobicContact CB-CD2 3.77Å; V243-L253 HydrophobicContact CG2-CD2 3.68Å; F251-L253 HydrophobicContact CD2-CD1 4.15Å; F251-L253 HydrophobicContact CD2-CG 4.03Å; L253-E255 PolarHBondContact O-N 3.08Å; L253-G256 PolarHBondContact O-N 3.49Å; L253-N257 PolarHBondContact O-N 2.73Å; L253-V258 HydrophobicContact CB-CB 4.26Å; L253-V258 PolarHBondContact N-O 3.47Å; L253-V258 PolarHBondContact O-N 3.45Å; L253-Y324 HydrophobicContact CD1-CE1 4.1Å; L253-Y324 WeakPolarHBondContact CD1-OH 3.32Å
254	L	76.6	Confident	86.3	Confident	22 Å²	22	62.1 Å²	62.1	12%	0.115	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	52.3	52.7	173.6	-57.9	173.6	0	0	0	112.1	T237 G256 N257 V258 Y323	T237-L254 HydrophobicContact CG2-CD2 4.08Å; L254-G256 PolarHBondContact O-N 3.36Å; L254-N257 HydrophobicContact CB-CB 4.3Å; L254-N257 VanDerWaalsContact O-CB 3.27Å; L254-N257 WeakPolarHBondContact O-CB 3.31Å; L254-N257 PolarHBondContact O-N 3.29Å; L254-N257 VanDerWaalsContact O-N 3.08Å; L254-N257 PolarHBondContact O-ND2 3.24Å; L254-V258 HydrophobicContact CD1-CG2 3.99Å; L254-Y323 HydrophobicContact CD1-CD2 4.3Å; L254-Y323 HydrophobicContact CD1-CG 4.12Å; L254-Y323 HydrophobicContact CD2-CD1 4.2Å; L254-Y323 HydrophobicContact CD2-CG 4.35Å
255	E	75.1	Confident	86.4	Confident	148 Å²	148	60.4 Å²	60.4	69%	0.692	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	61.1	25.4	-179.4	-55.2	-178.7	169.1	0	0	114.1	L253	L253-E255 PolarHBondContact O-N 3.08Å
256	G	73.6	Confident	86.5	Confident	15 Å²	15	61 Å²	61	16%	0.155	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	87	5.2	-178.5	0	0	0	0	0	114.7	L253 L254 V258	L253-G256 PolarHBondContact O-N 3.49Å; L254-G256 PolarHBondContact O-N 3.36Å; G256-V258 PolarHBondContact O-N 2.84Å
257	N	69.6	Low	86.6	Confident	71 Å²	71	58.6 Å²	58.6	38%	0.38	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-25.8	172.1	-69.8	-51.4	0	0	0	112.9	L253 L254 F277 N278	L253-N257 PolarHBondContact O-N 2.73Å; L254-N257 HydrophobicContact CB-CB 4.3Å; L254-N257 VanDerWaalsContact O-CB 3.27Å; L254-N257 WeakPolarHBondContact O-CB 3.31Å; L254-N257 PolarHBondContact O-N 3.29Å; L254-N257 VanDerWaalsContact O-N 3.08Å; L254-N257 PolarHBondContact O-ND2 3.24Å; N257-F277 CarbonylContact O-C 3.48Å; N257-F277 VanDerWaalsContact O-CA 3.28Å; N257-F277 WeakPolarHBondContact O-CA 3.32Å; N257-N278 PolarHBondContact O-N 3.34Å; N257-N278 PolarHBondContact OD1-ND2 3.49Å
258	V	84.3	Confident	86.7	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.8	176.8	172.5	0	0	0	0	109.3	F251 R252 L253 L254 G256 W275 F277	F251-V258 HydrophobicContact CE2-CG1 4.35Å; R252-V258 CarbonylContact C-O 3.53Å; R252-V258 WeakPolarHBondContact CA-O 3.3Å; L253-V258 HydrophobicContact CB-CB 4.26Å; L253-V258 PolarHBondContact N-O 3.47Å; L253-V258 PolarHBondContact O-N 3.45Å; L254-V258 HydrophobicContact CD1-CG2 3.99Å; G256-V258 PolarHBondContact O-N 2.84Å; V258-W275 HydrophobicContact CB-CZ2 4.44Å; V258-W275 HydrophobicContact CG1-CD2 4.35Å; V258-W275 VanDerWaalsContact CG1-CE2 3.5Å; V258-W275 HydrophobicContact CG1-CZ2 3.8Å; V258-W275 HydrophobicContact CG2-CH2 4.39Å; V258-W275 HydrophobicContact CG2-CZ2 3.72Å; V258-F277 HydrophobicContact CG2-CD1 3.64Å; V258-F277 HydrophobicContact CG2-CE1 3.74Å
259	F	86.8	Confident	86.9	Confident	51 Å²	51	56.6 Å²	56.6	22%	0.224	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	162.6	171.7	57.7	-93.3	0	0	0	112.2	F251 R252 R276 N278 Y285	F251-F259 WeakPolarHBondContact O-CA 3.45Å; F251-F259 WeakPolarHBondContact O-CB 2.99Å; R252-F259 HydrophobicContact CB-CB 4.47Å; F259-R276 HydrophobicContact CD2-CG 3.94Å; F259-R276 HydrophobicContact CE2-CG 3.73Å; F259-R276 HydrophobicContact CG-CG 4.49Å; F259-R276 HydrophobicContact CZ-CG 4.11Å; F259-R276 PolarHBondContact N-O 2.8Å; F259-R276 VanDerWaalsContact N-O 3.16Å; F259-R276 WeakPolarHBondContact O-CG 3.43Å; F259-R276 PolarHBondContact O-N 3.08Å; F259-R276 VanDerWaalsContact O-N 3.11Å; F259-N278 HydrophobicContact CD1-CB 4.45Å; F259-N278 HydrophobicContact CE1-CB 3.81Å; F259-Y285 HydrophobicContact CD2-CE1 4.48Å; F259-Y285 HydrophobicContact CE2-CE1 4.39Å
260	G	90.8	Very high	87.2	Confident	8 Å²	8	59.2 Å²	59.2	8%	0.082	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.6	-169.3	-174	0	0	0	0	0	113.5	K250 F251 K274	K250-G260 WeakPolarHBondContact CA-O 3.37Å; F251-G260 VanDerWaalsContact CE1-C 3.48Å; F251-G260 VanDerWaalsContact CZ-CA 3.49Å; F251-G260 PolarHBondContact N-O 3.26Å; F251-G260 PolarHBondContact O-N 2.9Å; G260-K274 WeakPolarHBondContact CA-O 3.3Å
261	E	90.8	Very high	87.5	Confident	56 Å²	56	52.3 Å²	52.3	26%	0.262	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	142.6	177.9	59.1	175.3	-158	0	0	110.6	G249 K250 T263 M273 K274	G249-E261 CarbonylContact O-C 3.57Å; G249-E261 VanDerWaalsContact O-CA 3.31Å; G249-E261 WeakPolarHBondContact O-CA 3.32Å; K250-E261 HydrophobicContact CG-CB 4.39Å; E261-T263 HydrophobicContact CG-CG2 4.45Å; E261-M273 CarbonylContact O-C 3.56Å; E261-M273 WeakPolarHBondContact O-CA 3.22Å; E261-M273 WeakPolarHBondContact O-CB 3.25Å; E261-K274 HydrophobicContact CG-CB 3.81Å; E261-K274 HydrophobicContact CG-CD 3.92Å; E261-K274 HydrophobicContact CG-CG 4.05Å; E261-K274 PolarHBondContact N-O 3.12Å; E261-K274 VanDerWaalsContact N-O 3.15Å; E261-K274 PolarHBondContact O-N 2.87Å; E261-K274 WeakPolarHBondContact OE1-CD 3.47Å; E261-K274 WeakPolarHBondContact OE1-CE 3.47Å; E261-K274 IonicContact OE1-NZ 2.67Å; E261-K274 PolarHBondContact OE1-NZ 2.88Å
262	F	93.9	Very high	87.8	Confident	5 Å²	5	52.5 Å²	52.5	2%	0.022	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	122	172.5	-62.7	-70.5	0	0	0	109.7	L228 V243 D244 G248 G249 F251 L265 I271 M273	L228-F262 HydrophobicContact CD2-CD1 4.14Å; L228-F262 HydrophobicContact CD2-CE1 3.74Å; L228-F262 HydrophobicContact CD2-CE2 4.18Å; L228-F262 HydrophobicContact CD2-CZ 3.76Å; V243-F262 HydrophobicContact CG1-CE2 3.98Å; V243-F262 HydrophobicContact CG1-CZ 4.18Å; D244-F262 WeakPolarHBondContact O-CD2 3.35Å; D244-F262 VanDerWaalsContact O-CE2 3.25Å; D244-F262 WeakPolarHBondContact O-CE2 3.36Å; G248-F262 VanDerWaalsContact CA-O 3.23Å; G248-F262 WeakPolarHBondContact CA-O 3.35Å; G248-F262 PolarHBondContact N-O 2.88Å; G249-F262 WeakPolarHBondContact O-CD2 3.23Å; G249-F262 PolarHBondContact O-N 3.23Å; F251-F262 HydrophobicContact CB-CE2 4.35Å; F251-F262 HydrophobicContact CD1-CD1 4.48Å; F251-F262 HydrophobicContact CD1-CD2 4.09Å; F251-F262 HydrophobicContact CD1-CE1 4.11Å; F251-F262 AromaticContact CD1-CE2 3.69Å; F251-F262 HydrophobicContact CD1-CE2 3.69Å; F251-F262 HydrophobicContact CD1-CG 4.47Å; F251-F262 AromaticContact CD1-CZ 3.7Å; F251-F262 HydrophobicContact CD1-CZ 3.7Å; F251-F262 HydrophobicContact CE1-CD1 4.42Å; F251-F262 HydrophobicContact CE1-CE1 4.21Å; F251-F262 HydrophobicContact CE1-CZ 4.27Å; F251-F262 HydrophobicContact CG-CE2 4.43Å; F251-F262 HydrophobicContact CG-CZ 4.39Å; F262-L265 HydrophobicContact CB-CD1 4.36Å; F262-L265 HydrophobicContact CB-CD2 4.26Å; F262-L265 HydrophobicContact CB-CG 4.33Å; F262-L265 HydrophobicContact CD1-CD2 4.02Å; F262-L265 HydrophobicContact CG-CD2 4.3Å; F262-I271 HydrophobicContact CD1-CG2 3.84Å; F262-I271 HydrophobicContact CE1-CG2 3.98Å; F262-M273 HydrophobicContact CD1-CB 4.02Å; F262-M273 HydrophobicContact CE1-SD 4.17Å
263	T	90.2	Very high	88.1	Confident	48 Å²	48	45.6 Å²	45.6	29%	0.294	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-36.8	-178.4	53.7	0	0	0	0	112	R247 E261 V272 K274	R247-T263 PolarHBondContact NE-O 2.85Å; E261-T263 HydrophobicContact CG-CG2 4.45Å; T263-V272 PolarHBondContact N-O 3.17Å; T263-V272 WeakPolarHBondContact OG1-CG1 3.43Å; T263-V272 PolarHBondContact OG1-O 3.27Å; T263-V272 VanDerWaalsContact OG1-O 3.11Å; T263-K274 HydrophobicContact CG2-CG 3.97Å
264	E	91.8	Very high	88.4	Confident	75 Å²	75	48.9 Å²	48.9	35%	0.35	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	133.2	-179.5	-163.7	-170.4	164.6	0	0	110.1	K270 V272	E264-K270 VanDerWaalsContact OE1-CE 3.32Å; E264-K270 WeakPolarHBondContact OE1-CE 3.39Å; E264-K270 IonicContact OE1-NZ 2.77Å; E264-K270 PolarHBondContact OE1-NZ 3.18Å; E264-K270 IonicContact OE2-NZ 3.52Å; E264-K270 PolarHBondContact OE2-NZ 3.44Å; E264-V272 HydrophobicContact CB-CB 3.79Å; E264-V272 HydrophobicContact CB-CG2 3.85Å; E264-V272 PolarHBondContact N-O 2.92Å; E264-V272 PolarHBondContact O-N 3.3Å
265	L	93.1	Very high	89.1	Confident	39 Å²	39	47.9 Å²	47.9	20%	0.204	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	115.6	178.4	-65.5	178.2	0	0	0	108	L228 G245 F262 I271	L228-L265 HydrophobicContact CD1-CD1 4.48Å; L228-L265 HydrophobicContact CD1-CD2 4.38Å; L228-L265 HydrophobicContact CD2-CD1 4.23Å; L228-L265 HydrophobicContact CD2-CD2 3.72Å; G245-L265 WeakPolarHBondContact O-CD1 3.37Å; F262-L265 HydrophobicContact CB-CD1 4.36Å; F262-L265 HydrophobicContact CB-CD2 4.26Å; F262-L265 HydrophobicContact CB-CG 4.33Å; F262-L265 HydrophobicContact CD1-CD2 4.02Å; F262-L265 HydrophobicContact CG-CD2 4.3Å; L265-I271 HydrophobicContact CD2-CB 4.21Å; L265-I271 HydrophobicContact CD2-CG1 3.91Å; L265-I271 HydrophobicContact CD2-CG2 3.78Å
266	V	93.3	Very high	89.5	Confident	40 Å²	40	41.6 Å²	41.6	24%	0.242	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	114.5	170.5	-174.8	0	0	0	0	106.7	Y224 D268 E269 K270	Y224-V266 WeakPolarHBondContact CE2-O 3.25Å; V266-D268 PolarHBondContact O-N 2.96Å; V266-E269 HydrophobicContact CB-CB 4.45Å; V266-E269 HydrophobicContact CG1-CB 4.01Å; V266-E269 PolarHBondContact O-N 3.15Å; V266-K270 HydrophobicContact CB-CB 4.06Å; V266-K270 HydrophobicContact CG2-CB 4.26Å; V266-K270 PolarHBondContact N-O 2.91Å; V266-K270 PolarHBondContact O-N 3.44Å; V266-K270 VanDerWaalsContact O-N 3.1Å; V266-K270 VanDerWaalsContact O-O 3.04Å
267	P	90.9	Very high	89.6	Confident	89 Å²	89	42 Å²	42	58%	0.578	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.4	133.1	-177.4	-28.4	35.3	0	0	0	112.1	E269	P267-E269 PolarHBondContact O-N 3.35Å
268	D	90.4	Very high	89.6	Confident	77 Å²	77	42.1 Å²	42.1	41%	0.412	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	-2.2	174.7	-48.3	-27.2	0	0	0	117	P220 A221 V266	P220-D268 WeakPolarHBondContact CB-O 3.37Å; A221-D268 VanDerWaalsContact CA-OD1 3.25Å; A221-D268 WeakPolarHBondContact CA-OD1 3.34Å; A221-D268 WeakPolarHBondContact CB-OD1 3.32Å; V266-D268 PolarHBondContact O-N 2.96Å
269	E	92.1	Very high	88.4	Confident	129 Å²	129	46 Å²	46	60%	0.603	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.2	-46.3	-174.8	-68.4	-172.6	177.3	0	0	113.5	V266 P267 F292	V266-E269 HydrophobicContact CB-CB 4.45Å; V266-E269 HydrophobicContact CG1-CB 4.01Å; V266-E269 PolarHBondContact O-N 3.15Å; P267-E269 PolarHBondContact O-N 3.35Å; E269-F292 WeakPolarHBondContact O-CD2 3.45Å; E269-F292 PolarHBondContact O-N 2.81Å
270	K	94.3	Very high	87.6	Confident	57 Å²	57	43.8 Å²	43.8	25%	0.248	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	136	-168.3	-170.8	-177.3	59.9	164.9	0	113.7	E264 V266 V272 T289 L290	E264-K270 VanDerWaalsContact OE1-CE 3.32Å; E264-K270 WeakPolarHBondContact OE1-CE 3.39Å; E264-K270 IonicContact OE1-NZ 2.77Å; E264-K270 PolarHBondContact OE1-NZ 3.18Å; E264-K270 IonicContact OE2-NZ 3.52Å; E264-K270 PolarHBondContact OE2-NZ 3.44Å; V266-K270 HydrophobicContact CB-CB 4.06Å; V266-K270 HydrophobicContact CG2-CB 4.26Å; V266-K270 PolarHBondContact N-O 2.91Å; V266-K270 PolarHBondContact O-N 3.44Å; V266-K270 VanDerWaalsContact O-N 3.1Å; V266-K270 VanDerWaalsContact O-O 3.04Å; K270-V272 HydrophobicContact CD-CG2 4.03Å; K270-V272 HydrophobicContact CG-CG2 4.16Å; K270-T289 HydrophobicContact CD-CG2 4.12Å; K270-T289 HydrophobicContact CG-CG2 4.08Å; K270-L290 VanDerWaalsContact CA-O 3.28Å; K270-L290 WeakPolarHBondContact CA-O 3Å; K270-L290 WeakPolarHBondContact CG-O 3.44Å
271	I	96	Very high	85.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124.8	167.7	-63.1	171.9	0	0	0	108.4	Y224 F227 L228 F262 L265 T289 L290 F292	Y224-I271 HydrophobicContact CD2-CD1 3.71Å; Y224-I271 HydrophobicContact CD2-CG1 3.72Å; Y224-I271 HydrophobicContact CE2-CD1 3.71Å; Y224-I271 HydrophobicContact CE2-CG1 3.3Å; Y224-I271 HydrophobicContact CG-CD1 4.38Å; F227-I271 HydrophobicContact CB-CD1 3.83Å; L228-I271 HydrophobicContact CD2-CD1 4.12Å; L228-I271 HydrophobicContact CG-CD1 4.11Å; F262-I271 HydrophobicContact CD1-CG2 3.84Å; F262-I271 HydrophobicContact CE1-CG2 3.98Å; L265-I271 HydrophobicContact CD2-CB 4.21Å; L265-I271 HydrophobicContact CD2-CG1 3.91Å; L265-I271 HydrophobicContact CD2-CG2 3.78Å; I271-T289 CarbonylContact O-C 3.48Å; I271-T289 WeakPolarHBondContact O-CA 3.46Å; I271-L290 HydrophobicContact CB-CB 4.1Å; I271-L290 HydrophobicContact CB-CD1 3.92Å; I271-L290 HydrophobicContact CB-CG 4.46Å; I271-L290 HydrophobicContact CD1-CD1 4.27Å; I271-L290 HydrophobicContact CG2-CD1 4.03Å; I271-L290 PolarHBondContact N-O 3.43Å; I271-L290 PolarHBondContact O-N 3.23Å; I271-F292 HydrophobicContact CB-CE2 4.36Å; I271-F292 HydrophobicContact CD1-CE2 3.89Å; I271-F292 HydrophobicContact CD1-CZ 3.81Å; I271-F292 HydrophobicContact CG1-CE2 3.87Å; I271-F292 HydrophobicContact CG1-CZ 4.31Å
272	V	95.7	Very high	83.9	Confident	12 Å²	12	49.3 Å²	49.3	7%	0.073	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.8	170.7	-168	0	0	0	0	108.5	T263 E264 K270 T287 I288 T289	T263-V272 PolarHBondContact N-O 3.17Å; T263-V272 WeakPolarHBondContact OG1-CG1 3.43Å; T263-V272 PolarHBondContact OG1-O 3.27Å; T263-V272 VanDerWaalsContact OG1-O 3.11Å; E264-V272 HydrophobicContact CB-CB 3.79Å; E264-V272 HydrophobicContact CB-CG2 3.85Å; E264-V272 PolarHBondContact N-O 2.92Å; E264-V272 PolarHBondContact O-N 3.3Å; K270-V272 HydrophobicContact CD-CG2 4.03Å; K270-V272 HydrophobicContact CG-CG2 4.16Å; V272-T287 HydrophobicContact CG1-CG2 3.78Å; V272-I288 WeakPolarHBondContact CA-O 3.42Å; V272-T289 HydrophobicContact CG2-CG2 4.12Å
273	M	94.3	Very high	82.8	Confident	7 Å²	7	57 Å²	57	3%	0.034	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	149.3	178.9	56.9	-176.3	149.8	0	0	111.8	F251 E261 F262 I288 L290 W320	F251-M273 HydrophobicContact CE1-CB 3.89Å; F251-M273 HydrophobicContact CE1-CG 4.35Å; F251-M273 HydrophobicContact CE1-SD 3.76Å; F251-M273 HydrophobicContact CE2-SD 4.49Å; F251-M273 HydrophobicContact CZ-CB 4.24Å; F251-M273 HydrophobicContact CZ-CG 4.28Å; F251-M273 HydrophobicContact CZ-SD 3.58Å; F251-M273 VanDerWaalsContact CZ-SD 3.58Å; E261-M273 CarbonylContact O-C 3.56Å; E261-M273 WeakPolarHBondContact O-CA 3.22Å; E261-M273 WeakPolarHBondContact O-CB 3.25Å; F262-M273 HydrophobicContact CD1-CB 4.02Å; F262-M273 HydrophobicContact CE1-SD 4.17Å; M273-I288 HydrophobicContact CE-CB 4.39Å; M273-I288 HydrophobicContact CE-CG2 4.01Å; M273-I288 HydrophobicContact CG-CB 4.11Å; M273-I288 PolarHBondContact N-O 3.17Å; M273-I288 PolarHBondContact O-N 3.42Å; M273-L290 HydrophobicContact CE-CD1 3.41Å; M273-L290 VanDerWaalsContact CE-CD1 3.41Å; M273-L290 HydrophobicContact CE-CD2 4.46Å; M273-L290 HydrophobicContact CE-CG 3.89Å; M273-W320 HydrophobicContact CE-CH2 3.66Å; M273-W320 HydrophobicContact CE-CZ2 4.17Å
274	K	93.1	Very high	82.1	Confident	77 Å²	77	56.2 Å²	56.2	34%	0.335	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	138.3	158.5	-68.3	-171.8	-167.5	156.5	0	108.2	F251 G260 E261 T263 Y285 A286	F251-K274 WeakPolarHBondContact CZ-O 3.24Å; G260-K274 WeakPolarHBondContact CA-O 3.3Å; E261-K274 HydrophobicContact CG-CB 3.81Å; E261-K274 HydrophobicContact CG-CD 3.92Å; E261-K274 HydrophobicContact CG-CG 4.05Å; E261-K274 PolarHBondContact N-O 3.12Å; E261-K274 VanDerWaalsContact N-O 3.15Å; E261-K274 PolarHBondContact O-N 2.87Å; E261-K274 WeakPolarHBondContact OE1-CD 3.47Å; E261-K274 WeakPolarHBondContact OE1-CE 3.47Å; E261-K274 IonicContact OE1-NZ 2.67Å; E261-K274 PolarHBondContact OE1-NZ 2.88Å; T263-K274 HydrophobicContact CG2-CG 3.97Å; K274-Y285 HydrophobicContact CB-CD1 3.89Å; K274-Y285 HydrophobicContact CB-CG 4.15Å; K274-Y285 HydrophobicContact CD-CD1 4.47Å; K274-Y285 HydrophobicContact CD-CD2 4.47Å; K274-Y285 HydrophobicContact CD-CG 4.13Å; K274-A286 CarbonylContact C-O 3.53Å; K274-A286 WeakPolarHBondContact CA-O 3.45Å
275	W	91.8	Very high	81.7	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.008	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	139.4	-175.1	-172.2	102.2	0	0	0	109.5	F251 V258 F277 W280 A286 I288 T316 W320 Y324	F251-W275 AromaticContact CE2-CD1 3.96Å; V258-W275 HydrophobicContact CB-CZ2 4.44Å; V258-W275 HydrophobicContact CG1-CD2 4.35Å; V258-W275 VanDerWaalsContact CG1-CE2 3.5Å; V258-W275 HydrophobicContact CG1-CZ2 3.8Å; V258-W275 HydrophobicContact CG2-CH2 4.39Å; V258-W275 HydrophobicContact CG2-CZ2 3.72Å; W275-F277 AromaticContact CH2-CD1 3.82Å; W275-F277 HydrophobicContact CH2-CD1 3.82Å; W275-F277 AromaticContact CH2-CD2 3.72Å; W275-F277 HydrophobicContact CH2-CD2 3.72Å; W275-F277 AromaticContact CH2-CE1 3.62Å; W275-F277 HydrophobicContact CH2-CE1 3.62Å; W275-F277 AromaticContact CH2-CE2 3.52Å; W275-F277 HydrophobicContact CH2-CE2 3.52Å; W275-F277 AromaticContact CH2-CG 3.88Å; W275-F277 HydrophobicContact CH2-CG 3.88Å; W275-F277 AromaticContact CH2-CZ 3.48Å; W275-F277 HydrophobicContact CH2-CZ 3.48Å; W275-F277 VanDerWaalsContact CH2-CZ 3.48Å; W275-F277 HydrophobicContact CZ2-CD1 4.38Å; W275-F277 HydrophobicContact CZ2-CE1 4.1Å; W275-F277 HydrophobicContact CZ2-CZ 4.27Å; W275-F277 AromaticContact CZ3-CD2 3.9Å; W275-F277 HydrophobicContact CZ3-CD2 3.9Å; W275-F277 HydrophobicContact CZ3-CE2 4.01Å; W275-F277 HydrophobicContact CZ3-CG 4.19Å; W275-F277 HydrophobicContact CZ3-CZ 4.4Å; W275-W280 HydrophobicContact CE3-CH2 4.16Å; W275-W280 HydrophobicContact CE3-CZ2 4.47Å; W275-W280 HydrophobicContact CZ3-CH2 4.02Å; W275-W280 AromaticContact CZ3-CZ2 3.88Å; W275-W280 HydrophobicContact CZ3-CZ2 3.88Å; W275-A286 PolarHBondContact N-O 3.29Å; W275-A286 PolarHBondContact O-N 2.82Å; W275-I288 HydrophobicContact CB-CB 4.42Å; W275-I288 HydrophobicContact CB-CD1 3.33Å; W275-I288 HydrophobicContact CB-CG1 3.74Å; W275-I288 HydrophobicContact CD2-CD1 3.53Å; W275-I288 HydrophobicContact CE3-CD1 3.97Å; W275-I288 HydrophobicContact CG-CD1 3.25Å; W275-I288 HydrophobicContact CG-CG1 4.22Å; W275-T316 HydrophobicContact CH2-CG2 4.21Å; W275-T316 HydrophobicContact CZ3-CG2 4.04Å; W275-W320 AromaticContact CD1-CZ2 3.95Å; W275-W320 AromaticContact CE2-NE1 3.51Å; W275-W320 AromaticContact CH2-NE1 3.95Å; W275-W320 AromaticContact CZ2-NE1 3.43Å; W275-W320 AromaticContact NE1-CZ2 3.71Å; W275-W320 AromaticContact NE1-NE1 3.82Å; W275-Y324 PolarHBondContact NE1-OH 3.24Å; W275-Y324 VanDerWaalsContact NE1-OH 3.16Å
276	R	82.6	Confident	81.5	Confident	16 Å²	16	54.9 Å²	54.9	6%	0.06	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	157.4	173.1	56.9	174.2	-78.5	156.4	-5.9	110.4	F259 N278 W280 P281 H284 Y285	F259-R276 HydrophobicContact CD2-CG 3.94Å; F259-R276 HydrophobicContact CE2-CG 3.73Å; F259-R276 HydrophobicContact CG-CG 4.49Å; F259-R276 HydrophobicContact CZ-CG 4.11Å; F259-R276 PolarHBondContact N-O 2.8Å; F259-R276 VanDerWaalsContact N-O 3.16Å; F259-R276 WeakPolarHBondContact O-CG 3.43Å; F259-R276 PolarHBondContact O-N 3.08Å; F259-R276 VanDerWaalsContact O-N 3.11Å; R276-N278 PolarHBondContact NH2-O 3.28Å; R276-W280 HydrophobicContact CB-CB 4.36Å; R276-W280 HydrophobicContact CB-CD2 4.2Å; R276-W280 HydrophobicContact CB-CE3 3.76Å; R276-W280 HydrophobicContact CB-CG 4.48Å; R276-W280 HydrophobicContact CB-CZ3 4.4Å; R276-W280 PolarHBondContact NH2-O 3.24Å; R276-P281 PolarHBondContact NH1-O 2.86Å; R276-H284 WeakPolarHBondContact CD-O 3.36Å; R276-H284 PolarHBondContact NH1-O 3.2Å; R276-Y285 HydrophobicContact CB-CD1 4.16Å; R276-Y285 HydrophobicContact CG-CD1 3.64Å; R276-Y285 HydrophobicContact CG-CE1 3.61Å
277	F	75.4	Confident	81.5	Confident	23 Å²	23	55.4 Å²	55.4	10%	0.101	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	158.5	158.4	-71.3	-62.7	0	0	0	110.3	N257 V258 W275 N279 W280 Q315	N257-F277 CarbonylContact O-C 3.48Å; N257-F277 VanDerWaalsContact O-CA 3.28Å; N257-F277 WeakPolarHBondContact O-CA 3.32Å; V258-F277 HydrophobicContact CG2-CD1 3.64Å; V258-F277 HydrophobicContact CG2-CE1 3.74Å; W275-F277 AromaticContact CH2-CD1 3.82Å; W275-F277 HydrophobicContact CH2-CD1 3.82Å; W275-F277 AromaticContact CH2-CD2 3.72Å; W275-F277 HydrophobicContact CH2-CD2 3.72Å; W275-F277 AromaticContact CH2-CE1 3.62Å; W275-F277 HydrophobicContact CH2-CE1 3.62Å; W275-F277 AromaticContact CH2-CE2 3.52Å; W275-F277 HydrophobicContact CH2-CE2 3.52Å; W275-F277 AromaticContact CH2-CG 3.88Å; W275-F277 HydrophobicContact CH2-CG 3.88Å; W275-F277 AromaticContact CH2-CZ 3.48Å; W275-F277 HydrophobicContact CH2-CZ 3.48Å; W275-F277 VanDerWaalsContact CH2-CZ 3.48Å; W275-F277 HydrophobicContact CZ2-CD1 4.38Å; W275-F277 HydrophobicContact CZ2-CE1 4.1Å; W275-F277 HydrophobicContact CZ2-CZ 4.27Å; W275-F277 AromaticContact CZ3-CD2 3.9Å; W275-F277 HydrophobicContact CZ3-CD2 3.9Å; W275-F277 HydrophobicContact CZ3-CE2 4.01Å; W275-F277 HydrophobicContact CZ3-CG 4.19Å; W275-F277 HydrophobicContact CZ3-CZ 4.4Å; F277-N279 WeakPolarHBondContact CB-OD1 3.35Å; F277-N279 PolarHBondContact O-N 2.65Å; F277-W280 HydrophobicContact CB-CG 4.24Å; F277-W280 AromaticContact CD2-CE2 3.95Å; F277-W280 HydrophobicContact CD2-CZ2 4.21Å; F277-W280 AromaticContact CD2-NE1 3.44Å; F277-W280 PolarHBondContact O-N 3.06Å; F277-Q315 HydrophobicContact CE2-CG 4.09Å; F277-Q315 HydrophobicContact CZ-CG 4.33Å
278	N	69.7	Low	81.7	Confident	74 Å²	74	51.2 Å²	51.2	40%	0.396	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-35.3	173.5	62.5	-3.9	0	0	0	112.4	N257 F259 R276 W280	N257-N278 PolarHBondContact O-N 3.34Å; N257-N278 PolarHBondContact OD1-ND2 3.49Å; F259-N278 HydrophobicContact CD1-CB 4.45Å; F259-N278 HydrophobicContact CE1-CB 3.81Å; R276-N278 PolarHBondContact NH2-O 3.28Å; N278-W280 VanDerWaalsContact C-N 3.27Å; N278-W280 PolarHBondContact O-N 3.31Å
279	N	58.8	Low	81.9	Confident	80 Å²	80	48.8 Å²	48.8	43%	0.428	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-1.9	-179.9	72.7	-16.6	0	0	0	114.7	F277	F277-N279 WeakPolarHBondContact CB-OD1 3.35Å; F277-N279 PolarHBondContact O-N 2.65Å
280	W	70	Confident	82.1	Confident	6 Å²	6	42.7 Å²	42.7	2%	0.023	22%	0.221	C	C	.	.	S	Bend	trans	-74.2	157.3	178.1	-78.7	16.2	0	0	0	112.4	W275 R276 F277 N278 H284 A286 V308 P309 E312	W275-W280 HydrophobicContact CE3-CH2 4.16Å; W275-W280 HydrophobicContact CE3-CZ2 4.47Å; W275-W280 HydrophobicContact CZ3-CH2 4.02Å; W275-W280 AromaticContact CZ3-CZ2 3.88Å; W275-W280 HydrophobicContact CZ3-CZ2 3.88Å; R276-W280 HydrophobicContact CB-CB 4.36Å; R276-W280 HydrophobicContact CB-CD2 4.2Å; R276-W280 HydrophobicContact CB-CE3 3.76Å; R276-W280 HydrophobicContact CB-CG 4.48Å; R276-W280 HydrophobicContact CB-CZ3 4.4Å; R276-W280 PolarHBondContact NH2-O 3.24Å; F277-W280 HydrophobicContact CB-CG 4.24Å; F277-W280 AromaticContact CD2-CE2 3.95Å; F277-W280 HydrophobicContact CD2-CZ2 4.21Å; F277-W280 AromaticContact CD2-NE1 3.44Å; F277-W280 PolarHBondContact O-N 3.06Å; N278-W280 VanDerWaalsContact C-N 3.27Å; N278-W280 PolarHBondContact O-N 3.31Å; W280-H284 AromaticContact CE3-CD2 3.74Å; W280-A286 HydrophobicContact CH2-CB 3.7Å; W280-A286 HydrophobicContact CZ3-CB 3.54Å; W280-V308 HydrophobicContact CH2-CB 4.02Å; W280-V308 HydrophobicContact CH2-CG1 3.75Å; W280-V308 HydrophobicContact CH2-CG2 4Å; W280-V308 HydrophobicContact CZ2-CG1 3.82Å; W280-P309 HydrophobicContact CD2-CG 3.96Å; W280-P309 HydrophobicContact CE3-CG 4.08Å; W280-P309 HydrophobicContact CG-CG 4.45Å; W280-P309 VanDerWaalsContact CH2-CD 3.4Å; W280-P309 HydrophobicContact CZ2-CG 4.4Å; W280-P309 VanDerWaalsContact CZ3-CD 3.43Å; W280-P309 HydrophobicContact CZ3-CG 4.34Å; W280-E312 HydrophobicContact CZ2-CB 4.05Å; W280-E312 VanDerWaalsContact NE1-CG 3.34Å; W280-E312 PolarHBondContact NE1-OE2 2.96Å
281	P	55.3	Low	82.1	Confident	58 Å²	58	42 Å²	42	38%	0.377	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-53	147.1	177.6	-27.6	36.7	0	0	0	112.7	I205 R276 E283 H284	I205-P281 HydrophobicContact CD1-CB 3.62Å; I205-P281 HydrophobicContact CD1-CG 3.66Å; I205-P281 HydrophobicContact CG1-CG 4.48Å; R276-P281 PolarHBondContact NH1-O 2.86Å; P281-E283 PolarHBondContact O-N 2.94Å; P281-H284 HydrophobicContact CB-CB 4.01Å; P281-H284 VanDerWaalsContact O-CB 3.26Å; P281-H284 WeakPolarHBondContact O-CB 3.25Å; P281-H284 PolarHBondContact O-N 3.44Å
282	C	49.6	Very low	82.1	Confident	121 Å²	121	42.6 Å²	42.6	82%	0.818	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	135.7	-179.1	-168.3	0	0	0	0	110.9	H284	C282-H284 PolarHBondContact O-N 3.14Å
283	E	70.2	Confident	81.9	Confident	167 Å²	167	45.3 Å²	45.3	78%	0.78	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	8.8	-175.7	-55.8	-150.6	120.4	0	0	116.6	P281 Y285	P281-E283 PolarHBondContact O-N 2.94Å; E283-Y285 WeakPolarHBondContact O-CD2 3.38Å
284	H	76.5	Confident	81.8	Confident	31 Å²	31	50.1 Å²	50.1	14%	0.144	26%	0.262	C	S	.	.			trans	-83.9	119.4	172.3	-163	77	0	0	0	110.6	I205 T207 R276 W280 P281 C282 G307	I205-H284 HydrophobicContact CD1-CB 4.33Å; T207-H284 VanDerWaalsContact CG2-CE1 3.46Å; T207-H284 WeakPolarHBondContact CG2-CE1 3.38Å; R276-H284 WeakPolarHBondContact CD-O 3.36Å; R276-H284 PolarHBondContact NH1-O 3.2Å; W280-H284 AromaticContact CE3-CD2 3.74Å; P281-H284 HydrophobicContact CB-CB 4.01Å; P281-H284 VanDerWaalsContact O-CB 3.26Å; P281-H284 WeakPolarHBondContact O-CB 3.25Å; P281-H284 PolarHBondContact O-N 3.44Å; C282-H284 PolarHBondContact O-N 3.14Å; H284-G307 PolarHBondContact NE2-O 3Å
285	Y	82.9	Confident	81.6	Confident	86 Å²	86	52.8 Å²	52.8	34%	0.337	27%	0.27	S	S	.	.			trans	-127.2	135.2	176.6	-66.1	-92.6	0	0	0	109.8	F259 K274 R276 E283	F259-Y285 HydrophobicContact CD2-CE1 4.48Å; F259-Y285 HydrophobicContact CE2-CE1 4.39Å; K274-Y285 HydrophobicContact CB-CD1 3.89Å; K274-Y285 HydrophobicContact CB-CG 4.15Å; K274-Y285 HydrophobicContact CD-CD1 4.47Å; K274-Y285 HydrophobicContact CD-CD2 4.47Å; K274-Y285 HydrophobicContact CD-CG 4.13Å; R276-Y285 HydrophobicContact CB-CD1 4.16Å; R276-Y285 HydrophobicContact CG-CD1 3.64Å; R276-Y285 HydrophobicContact CG-CE1 3.61Å; E283-Y285 WeakPolarHBondContact O-CD2 3.38Å
286	A	89.1	Confident	81	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	142.9	163.3	0	0	0	0	0	108.8	K274 W275 W280 R306 V308	K274-A286 CarbonylContact C-O 3.53Å; K274-A286 WeakPolarHBondContact CA-O 3.45Å; W275-A286 PolarHBondContact N-O 3.29Å; W275-A286 PolarHBondContact O-N 2.82Å; W280-A286 HydrophobicContact CH2-CB 3.7Å; W280-A286 HydrophobicContact CZ3-CB 3.54Å; A286-R306 CarbonylContact C-O 3.58Å; A286-R306 WeakPolarHBondContact CA-O 2.91Å; A286-V308 HydrophobicContact CB-CG2 3.67Å
287	T	92.4	Very high	81	Confident	52 Å²	52	64.4 Å²	64.4	32%	0.319	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	118.6	165.2	-52.5	0	0	0	0	107.8	V272 R306	V272-T287 HydrophobicContact CG1-CG2 3.78Å; T287-R306 PolarHBondContact N-O 2.81Å; T287-R306 PolarHBondContact O-N 3.07Å
288	I	95.2	Very high	81.7	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	127.2	175.3	-60.9	-175.1	0	0	0	108.5	V272 M273 W275 V303 E304 Y305 W320	V272-I288 WeakPolarHBondContact CA-O 3.42Å; M273-I288 HydrophobicContact CE-CB 4.39Å; M273-I288 HydrophobicContact CE-CG2 4.01Å; M273-I288 HydrophobicContact CG-CB 4.11Å; M273-I288 PolarHBondContact N-O 3.17Å; M273-I288 PolarHBondContact O-N 3.42Å; W275-I288 HydrophobicContact CB-CB 4.42Å; W275-I288 HydrophobicContact CB-CD1 3.33Å; W275-I288 HydrophobicContact CB-CG1 3.74Å; W275-I288 HydrophobicContact CD2-CD1 3.53Å; W275-I288 HydrophobicContact CE3-CD1 3.97Å; W275-I288 HydrophobicContact CG-CD1 3.25Å; W275-I288 HydrophobicContact CG-CG1 4.22Å; I288-V303 HydrophobicContact CG2-CG1 3.47Å; I288-V303 VanDerWaalsContact CG2-CG1 3.47Å; I288-E304 CarbonylContact C-O 3.51Å; I288-E304 WeakPolarHBondContact CA-O 3.41Å; I288-Y305 HydrophobicContact CD1-CD1 3.69Å; I288-Y305 HydrophobicContact CD1-CE1 3.6Å; I288-Y305 HydrophobicContact CG1-CD1 3.74Å; I288-Y305 HydrophobicContact CG1-CE1 4.09Å; I288-Y305 HydrophobicContact CG2-CE1 4.38Å; I288-W320 HydrophobicContact CD1-CH2 4.34Å; I288-W320 HydrophobicContact CD1-CZ2 3.36Å; I288-W320 HydrophobicContact CG2-CH2 3.98Å; I288-W320 HydrophobicContact CG2-CZ2 4Å
289	T	95.5	Very high	82.8	Confident	27 Å²	27	62.2 Å²	62.2	17%	0.166	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	111	176.1	-56.3	0	0	0	0	109.1	K270 I271 V272 M291 V303 E304	K270-T289 HydrophobicContact CD-CG2 4.12Å; K270-T289 HydrophobicContact CG-CG2 4.08Å; I271-T289 CarbonylContact O-C 3.48Å; I271-T289 WeakPolarHBondContact O-CA 3.46Å; V272-T289 HydrophobicContact CG2-CG2 4.12Å; T289-M291 HydrophobicContact CG2-CE 4.48Å; T289-M291 HydrophobicContact CG2-CG 4.25Å; T289-V303 WeakPolarHBondContact O-CA 3.32Å; T289-E304 PolarHBondContact N-O 3.04Å; T289-E304 PolarHBondContact O-N 3.46Å
290	L	95.1	Very high	84.4	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	125.6	170.2	-59	167	0	0	0	108.1	F227 K270 I271 M273 F292 L301 V303 W320	F227-L290 HydrophobicContact CD1-CD1 3.77Å; F227-L290 HydrophobicContact CD2-CD1 4.4Å; F227-L290 HydrophobicContact CE1-CD1 3.97Å; F227-L290 HydrophobicContact CE1-CD2 4.4Å; F227-L290 HydrophobicContact CG-CD1 4Å; F227-L290 HydrophobicContact CZ-CD1 4.42Å; F227-L290 HydrophobicContact CZ-CD2 4.46Å; K270-L290 VanDerWaalsContact CA-O 3.28Å; K270-L290 WeakPolarHBondContact CA-O 3Å; K270-L290 WeakPolarHBondContact CG-O 3.44Å; I271-L290 HydrophobicContact CB-CB 4.1Å; I271-L290 HydrophobicContact CB-CD1 3.92Å; I271-L290 HydrophobicContact CB-CG 4.46Å; I271-L290 HydrophobicContact CD1-CD1 4.27Å; I271-L290 HydrophobicContact CG2-CD1 4.03Å; I271-L290 PolarHBondContact N-O 3.43Å; I271-L290 PolarHBondContact O-N 3.23Å; M273-L290 HydrophobicContact CE-CD1 3.41Å; M273-L290 VanDerWaalsContact CE-CD1 3.41Å; M273-L290 HydrophobicContact CE-CD2 4.46Å; M273-L290 HydrophobicContact CE-CG 3.89Å; L290-F292 HydrophobicContact CB-CE2 3.93Å; L290-F292 HydrophobicContact CB-CZ 4.12Å; L290-F292 HydrophobicContact CD1-CZ 4.42Å; L290-L301 HydrophobicContact CB-CD1 4.14Å; L290-L301 HydrophobicContact CD2-CD1 4.06Å; L290-L301 HydrophobicContact CD2-CD2 4.35Å; L290-L301 HydrophobicContact CD2-CG 4.47Å; L290-V303 HydrophobicContact CD2-CB 4.15Å; L290-V303 HydrophobicContact CD2-CG1 3.69Å; L290-V303 HydrophobicContact CD2-CG2 3.53Å; L290-W320 HydrophobicContact CD2-CH2 4.04Å; L290-W320 HydrophobicContact CD2-CZ3 3.81Å
291	M	95.7	Very high	85.6	Confident	43 Å²	43	59.3 Å²	59.3	21%	0.212	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.1	172	-71.5	168.9	-82.7	0	0	108.7	T289 K302 E304	T289-M291 HydrophobicContact CG2-CE 4.48Å; T289-M291 HydrophobicContact CG2-CG 4.25Å; M291-K302 HydrophobicContact CB-CB 4.28Å; M291-K302 HydrophobicContact CE-CB 4.37Å; M291-K302 HydrophobicContact CE-CD 3.56Å; M291-K302 HydrophobicContact CE-CG 3.8Å; M291-K302 PolarHBondContact N-O 2.87Å; M291-K302 PolarHBondContact O-N 3.41Å; M291-K302 HydrophobicContact SD-CD 4.31Å; M291-E304 HydrophobicContact CE-CB 4.29Å
292	F	94.7	Very high	87.5	Confident	12 Å²	12	58.9 Å²	58.9	5%	0.053	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	113.1	179.6	-55.7	-96	0	0	0	108	P220 L223 Y224 F227 E269 I271 L290 T299 L301	P220-F292 HydrophobicContact CB-CB 4.14Å; L223-F292 HydrophobicContact CB-CD1 4.1Å; L223-F292 HydrophobicContact CB-CE1 4.1Å; L223-F292 HydrophobicContact CD2-CD1 3.94Å; L223-F292 HydrophobicContact CD2-CE1 4.06Å; L223-F292 HydrophobicContact CG-CD1 4.08Å; L223-F292 HydrophobicContact CG-CE1 3.83Å; Y224-F292 HydrophobicContact CD2-CD2 4.11Å; Y224-F292 AromaticContact CD2-CE2 3.73Å; Y224-F292 HydrophobicContact CD2-CE2 3.73Å; Y224-F292 HydrophobicContact CD2-CZ 4.16Å; Y224-F292 HydrophobicContact CE2-CE2 4.48Å; F227-F292 HydrophobicContact CD2-CE1 4.21Å; F227-F292 HydrophobicContact CD2-CZ 4.12Å; F227-F292 HydrophobicContact CE2-CE1 4.32Å; E269-F292 WeakPolarHBondContact O-CD2 3.45Å; E269-F292 PolarHBondContact O-N 2.81Å; I271-F292 HydrophobicContact CB-CE2 4.36Å; I271-F292 HydrophobicContact CD1-CE2 3.89Å; I271-F292 HydrophobicContact CD1-CZ 3.81Å; I271-F292 HydrophobicContact CG1-CE2 3.87Å; I271-F292 HydrophobicContact CG1-CZ 4.31Å; L290-F292 HydrophobicContact CB-CE2 3.93Å; L290-F292 HydrophobicContact CB-CZ 4.12Å; L290-F292 HydrophobicContact CD1-CZ 4.42Å; F292-T299 HydrophobicContact CB-CG2 4.17Å; F292-T299 HydrophobicContact CD1-CG2 4.35Å; F292-L301 HydrophobicContact CD1-CD1 3.83Å; F292-L301 HydrophobicContact CE1-CD1 3.66Å; F292-L301 HydrophobicContact CG-CD1 4.35Å; F292-L301 HydrophobicContact CZ-CD1 4.04Å
293	L	92.7	Very high	89.7	Confident	69 Å²	69	53.1 Å²	53.1	36%	0.361	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	117.4	-178.7	-65.7	164.6	0	0	0	109.2	R295 E300 K302	L293-R295 PolarHBondContact O-N 2.8Å; L293-E300 HydrophobicContact CB-CB 4.16Å; L293-E300 WeakPolarHBondContact CB-O 3.3Å; L293-E300 PolarHBondContact N-O 2.6Å; L293-E300 PolarHBondContact O-N 3.06Å; L293-K302 HydrophobicContact CD1-CB 4.45Å
294	D	91.9	Very high	90.8	Very high	108 Å²	108	48.8 Å²	48.8	58%	0.578	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70	125.3	176	-169.7	-6.2	0	0	0	111	P220 S296	P220-D294 HydrophobicContact CG-CB 3.87Å; D294-S296 PolarHBondContact OD1-N 2.99Å
295	R	88.6	Confident	91.5	Very high	134 Å²	134	47.3 Å²	47.3	51%	0.506	24%	0.24	S	C	.	.			trans	-120	44.1	173.9	-60.2	-64.8	-166.5	-173.6	0.2	111	L293 N297 E298 E300	L293-R295 PolarHBondContact O-N 2.8Å; R295-N297 PolarHBondContact O-N 3.43Å; R295-E298 CarbonylContact C-O 3.45Å; R295-E298 WeakPolarHBondContact CA-O 3.34Å; R295-E298 HydrophobicContact CB-CG 3.83Å; R295-E298 WeakPolarHBondContact CB-O 3.26Å; R295-E298 PolarHBondContact N-O 3.04Å; R295-E300 HydrophobicContact CG-CB 4.08Å; R295-E300 IonicContact CZ-OE2 2.71Å; R295-E300 IonicContact NE-OE2 3.2Å; R295-E300 PolarHBondContact NE-OE2 3.17Å; R295-E300 IonicContact NH2-OE2 2.69Å; R295-E300 PolarHBondContact NH2-OE2 3.29Å
296	S	79.8	Confident	91.8	Very high	114 Å²	114	51.3 Å²	51.3	80%	0.797	25%	0.254	S	S	*	.	S	Bend	trans	66.7	-53.2	174.7	-51.7	0	0	0	0	115.5	D294	D294-S296 PolarHBondContact OD1-N 2.99Å
297	N	81.3	Confident	91.5	Very high	148 Å²	148	52 Å²	52	79%	0.791	26%	0.261	S	S	*	.	S	Bend	trans	-119.6	-4.5	179	-75.9	2.3	0	0	0	113.1	R295	R295-N297 PolarHBondContact O-N 3.43Å
298	E	90.5	Very high	91	Very high	51 Å²	51	49.5 Å²	49.5	24%	0.238	25%	0.246	C	C	.	.	S	Bend	trans	-145.8	156.9	-179.9	63.4	-170.3	-170	0	0	109.7	F216 L217 R295 R337	F216-E298 CarbonylContact O-C 3.46Å; F216-E298 WeakPolarHBondContact O-CA 3.07Å; F216-E298 WeakPolarHBondContact O-CB 3.46Å; L217-E298 HydrophobicContact CD2-CB 4.14Å; R295-E298 CarbonylContact C-O 3.45Å; R295-E298 WeakPolarHBondContact CA-O 3.34Å; R295-E298 HydrophobicContact CB-CG 3.83Å; R295-E298 WeakPolarHBondContact CB-O 3.26Å; R295-E298 PolarHBondContact N-O 3.04Å; E298-R337 IonicContact OE2-NH2 2.99Å
299	T	92.4	Very high	90.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.6	174.3	-61.3	0	0	0	0	108.8	T215 F216 T218 P220 L223 F292	T215-T299 WeakPolarHBondContact CA-O 3.49Å; F216-T299 PolarHBondContact N-O 3.2Å; F216-T299 PolarHBondContact O-N 2.89Å; T218-T299 PolarHBondContact O-N 3.18Å; T218-T299 PolarHBondContact O-OG1 3.2Å; P220-T299 HydrophobicContact CB-CG2 4.3Å; P220-T299 VanDerWaalsContact CD-OG1 3.25Å; P220-T299 WeakPolarHBondContact CD-OG1 3.49Å; P220-T299 HydrophobicContact CG-CG2 4.19Å; L223-T299 HydrophobicContact CD2-CG2 3.87Å; F292-T299 HydrophobicContact CB-CG2 4.17Å; F292-T299 HydrophobicContact CD1-CG2 4.35Å
300	E	94	Very high	89.2	Confident	24 Å²	24	52.2 Å²	52.2	11%	0.112	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	111.6	168.9	-178.1	-173.2	157.4	0	0	108.2	R213 T215 L293 R295	R213-E300 VanDerWaalsContact CD-OE1 3.3Å; R213-E300 WeakPolarHBondContact CD-OE1 3.3Å; R213-E300 IonicContact NH1-OE1 3.46Å; R213-E300 PolarHBondContact NH1-OE1 3.37Å; T215-E300 HydrophobicContact CG2-CB 4.32Å; T215-E300 HydrophobicContact CG2-CG 4.45Å; L293-E300 HydrophobicContact CB-CB 4.16Å; L293-E300 WeakPolarHBondContact CB-O 3.3Å; L293-E300 PolarHBondContact N-O 2.6Å; L293-E300 PolarHBondContact O-N 3.06Å; R295-E300 HydrophobicContact CG-CB 4.08Å; R295-E300 IonicContact CZ-OE2 2.71Å; R295-E300 IonicContact NE-OE2 3.2Å; R295-E300 PolarHBondContact NE-OE2 3.17Å; R295-E300 IonicContact NH2-OE2 2.69Å; R295-E300 PolarHBondContact NH2-OE2 3.29Å
301	L	94.7	Very high	88.1	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	110.8	173.9	-178.2	63.5	0	0	0	108.9	R213 D214 F216 L223 F227 L290 F292 V303 F325	R213-L301 WeakPolarHBondContact CA-O 3.25Å; D214-L301 PolarHBondContact N-O 3.38Å; D214-L301 PolarHBondContact O-N 3.21Å; F216-L301 HydrophobicContact CD2-CB 3.92Å; F216-L301 HydrophobicContact CE2-CB 3.68Å; F216-L301 HydrophobicContact CE2-CD2 3.79Å; F216-L301 HydrophobicContact CE2-CG 4.39Å; F216-L301 HydrophobicContact CZ-CD2 4.25Å; L223-L301 HydrophobicContact CD2-CB 4.06Å; L223-L301 HydrophobicContact CD2-CD1 4.5Å; L223-L301 HydrophobicContact CD2-CD2 4.37Å; F227-L301 HydrophobicContact CE2-CD2 4Å; F227-L301 HydrophobicContact CZ-CD2 3.84Å; L290-L301 HydrophobicContact CB-CD1 4.14Å; L290-L301 HydrophobicContact CD2-CD1 4.06Å; L290-L301 HydrophobicContact CD2-CD2 4.35Å; L290-L301 HydrophobicContact CD2-CG 4.47Å; F292-L301 HydrophobicContact CD1-CD1 3.83Å; F292-L301 HydrophobicContact CE1-CD1 3.66Å; F292-L301 HydrophobicContact CG-CD1 4.35Å; F292-L301 HydrophobicContact CZ-CD1 4.04Å; L301-V303 HydrophobicContact CD1-CG2 4.49Å; L301-V303 HydrophobicContact CD2-CG2 4.11Å; L301-V303 HydrophobicContact CG-CG2 3.85Å; L301-F325 HydrophobicContact CD2-CD1 4.3Å; L301-F325 HydrophobicContact CD2-CE1 3.71Å; L301-F325 HydrophobicContact CD2-CZ 4.47Å
302	K	94.8	Very high	87.1	Confident	50 Å²	50	56.5 Å²	56.5	22%	0.217	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	120.6	172.4	178.7	-175.5	173.7	-159.9	0	109	T211 R213 M291 L293	T211-K302 HydrophobicContact CG2-CD 4.29Å; T211-K302 HydrophobicContact CG2-CG 3.66Å; R213-K302 HydrophobicContact CG-CB 4.24Å; R213-K302 HydrophobicContact CG-CG 4.05Å; M291-K302 HydrophobicContact CB-CB 4.28Å; M291-K302 HydrophobicContact CE-CB 4.37Å; M291-K302 HydrophobicContact CE-CD 3.56Å; M291-K302 HydrophobicContact CE-CG 3.8Å; M291-K302 PolarHBondContact N-O 2.87Å; M291-K302 PolarHBondContact O-N 3.41Å; M291-K302 HydrophobicContact SD-CD 4.31Å; L293-K302 HydrophobicContact CD1-CB 4.45Å
303	V	95.3	Very high	86.4	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	116	-179.9	-166	0	0	0	0	109.5	T211 I212 I288 T289 L290 L301 Y305 W320 F325	T211-V303 CarbonylContact C-O 3.53Å; T211-V303 VanDerWaalsContact CA-O 3.26Å; T211-V303 WeakPolarHBondContact CA-O 3.41Å; T211-V303 WeakPolarHBondContact CG2-O 3.32Å; I212-V303 HydrophobicContact CG1-CB 3.98Å; I212-V303 HydrophobicContact CG1-CG2 4.3Å; I212-V303 PolarHBondContact N-O 3.2Å; I212-V303 PolarHBondContact O-N 3.49Å; I288-V303 HydrophobicContact CG2-CG1 3.47Å; I288-V303 VanDerWaalsContact CG2-CG1 3.47Å; T289-V303 WeakPolarHBondContact O-CA 3.32Å; L290-V303 HydrophobicContact CD2-CB 4.15Å; L290-V303 HydrophobicContact CD2-CG1 3.69Å; L290-V303 HydrophobicContact CD2-CG2 3.53Å; L301-V303 HydrophobicContact CD1-CG2 4.49Å; L301-V303 HydrophobicContact CD2-CG2 4.11Å; L301-V303 HydrophobicContact CG-CG2 3.85Å; V303-Y305 HydrophobicContact CB-CE2 3.82Å; V303-Y305 HydrophobicContact CG1-CD2 4.3Å; V303-Y305 HydrophobicContact CG1-CE1 4.16Å; V303-Y305 HydrophobicContact CG1-CE2 3.54Å; V303-Y305 VanDerWaalsContact CG1-CZ 3.43Å; V303-Y305 WeakPolarHBondContact CG1-OH 3.46Å; V303-Y305 WeakPolarHBondContact O-CE2 3.49Å; V303-W320 HydrophobicContact CG1-CE3 4.36Å; V303-W320 HydrophobicContact CG1-CH2 4.39Å; V303-W320 HydrophobicContact CG1-CZ3 4.09Å; V303-W320 HydrophobicContact CG2-CZ3 4.46Å; V303-F325 HydrophobicContact CG2-CE1 3.98Å; V303-F325 HydrophobicContact CG2-CZ 3.64Å
304	E	93.7	Very high	85.7	Confident	75 Å²	75	63.4 Å²	63.4	35%	0.35	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	132.1	175.4	-175.4	174.7	168.7	0	0	110.3	I288 T289 M291	I288-E304 CarbonylContact C-O 3.51Å; I288-E304 WeakPolarHBondContact CA-O 3.41Å; T289-E304 PolarHBondContact N-O 3.04Å; T289-E304 PolarHBondContact O-N 3.46Å; M291-E304 HydrophobicContact CE-CB 4.29Å
305	Y	91.4	Very high	85	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.6	-179.9	-57.4	-101.6	0	0	0	108.7	K209 F210 I212 I288 V303 V308 T316 W320	K209-Y305 WeakPolarHBondContact CA-O 3.41Å; F210-Y305 AromaticContact CD2-CD2 3.47Å; F210-Y305 HydrophobicContact CD2-CD2 3.47Å; F210-Y305 VanDerWaalsContact CD2-CD2 3.47Å; F210-Y305 HydrophobicContact CD2-CE2 4.06Å; F210-Y305 HydrophobicContact CD2-CG 4.01Å; F210-Y305 HydrophobicContact CE1-CG 4.24Å; F210-Y305 HydrophobicContact CE2-CD1 4.04Å; F210-Y305 AromaticContact CE2-CD2 3.15Å; F210-Y305 HydrophobicContact CE2-CD2 3.15Å; F210-Y305 HydrophobicContact CE2-CE1 4.35Å; F210-Y305 AromaticContact CE2-CE2 3.55Å; F210-Y305 HydrophobicContact CE2-CE2 3.55Å; F210-Y305 AromaticContact CE2-CG 3.45Å; F210-Y305 HydrophobicContact CE2-CG 3.45Å; F210-Y305 VanDerWaalsContact CE2-CG 3.45Å; F210-Y305 HydrophobicContact CG-CD2 4.35Å; F210-Y305 AromaticContact CZ-CD1 3.93Å; F210-Y305 HydrophobicContact CZ-CD1 3.93Å; F210-Y305 AromaticContact CZ-CD2 3.83Å; F210-Y305 HydrophobicContact CZ-CD2 3.83Å; F210-Y305 HydrophobicContact CZ-CE1 4.47Å; F210-Y305 HydrophobicContact CZ-CE2 4.39Å; F210-Y305 AromaticContact CZ-CG 3.58Å; F210-Y305 HydrophobicContact CZ-CG 3.58Å; F210-Y305 PolarHBondContact N-O 3.5Å; F210-Y305 VanDerWaalsContact N-O 3.14Å; F210-Y305 PolarHBondContact O-N 3.41Å; I212-Y305 HydrophobicContact CD1-CE2 3.87Å; I212-Y305 WeakPolarHBondContact CD1-OH 3.32Å; I212-Y305 HydrophobicContact CG1-CE2 3.86Å; I212-Y305 HydrophobicContact CG2-CE2 4.31Å; I288-Y305 HydrophobicContact CD1-CD1 3.69Å; I288-Y305 HydrophobicContact CD1-CE1 3.6Å; I288-Y305 HydrophobicContact CG1-CD1 3.74Å; I288-Y305 HydrophobicContact CG1-CE1 4.09Å; I288-Y305 HydrophobicContact CG2-CE1 4.38Å; V303-Y305 HydrophobicContact CB-CE2 3.82Å; V303-Y305 HydrophobicContact CG1-CD2 4.3Å; V303-Y305 HydrophobicContact CG1-CE1 4.16Å; V303-Y305 HydrophobicContact CG1-CE2 3.54Å; V303-Y305 VanDerWaalsContact CG1-CZ 3.43Å; V303-Y305 WeakPolarHBondContact CG1-OH 3.46Å; V303-Y305 WeakPolarHBondContact O-CE2 3.49Å; Y305-V308 HydrophobicContact CD1-CG2 4.25Å; Y305-V308 HydrophobicContact CG-CG2 4.42Å; Y305-T316 HydrophobicContact CD1-CG2 4.07Å; Y305-T316 HydrophobicContact CE1-CG2 3.96Å; Y305-W320 AromaticContact CE1-CD1 3.74Å; Y305-W320 AromaticContact CE1-CD2 3.99Å; Y305-W320 HydrophobicContact CE1-CD2 3.99Å; Y305-W320 AromaticContact CE1-CE2 3.78Å; Y305-W320 AromaticContact CE1-CG 3.98Å; Y305-W320 HydrophobicContact CE1-CG 3.98Å; Y305-W320 HydrophobicContact CE1-CZ2 4.4Å; Y305-W320 AromaticContact CE1-NE1 3.61Å; Y305-W320 AromaticContact CZ-CD2 3.89Å; Y305-W320 AromaticContact CZ-CG 3.88Å; Y305-W320 WeakPolarHBondContact OH-CB 3.29Å; Y305-W320 VanDerWaalsContact OH-CE3 3.24Å
306	R	88.6	Confident	84.6	Confident	170 Å²	170	56.7 Å²	56.7	64%	0.642	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.8	129.5	175.8	-176.7	176.4	-178.2	-121.1	0.2	109.7	A286 T287	A286-R306 CarbonylContact C-O 3.58Å; A286-R306 WeakPolarHBondContact CA-O 2.91Å; T287-R306 PolarHBondContact N-O 2.81Å; T287-R306 PolarHBondContact O-N 3.07Å
307	G	82.4	Confident	84.7	Confident	14 Å²	14	54.2 Å²	54.2	14%	0.144	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	85.3	25.9	179.1	0	0	0	0	0	113.1	C208 H284	C208-G307 PolarHBondContact O-N 3.16Å; H284-G307 PolarHBondContact NE2-O 3Å
308	V	83.8	Confident	84.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	130.2	172.4	177.2	0	0	0	0	107.8	T207 C208 F210 W280 A286 Y305 N310 E312	T207-V308 CarbonylContact C-O 3.59Å; T207-V308 WeakPolarHBondContact CA-O 3.41Å; C208-V308 PolarHBondContact N-O 3.17Å; C208-V308 PolarHBondContact O-N 3.07Å; C208-V308 PolarHBondContact SG-O 2.92Å; F210-V308 HydrophobicContact CE1-CB 4Å; F210-V308 HydrophobicContact CE1-CG1 4.04Å; F210-V308 HydrophobicContact CE1-CG2 3.88Å; F210-V308 HydrophobicContact CZ-CG2 4.24Å; W280-V308 HydrophobicContact CH2-CB 4.02Å; W280-V308 HydrophobicContact CH2-CG1 3.75Å; W280-V308 HydrophobicContact CH2-CG2 4Å; W280-V308 HydrophobicContact CZ2-CG1 3.82Å; A286-V308 HydrophobicContact CB-CG2 3.67Å; Y305-V308 HydrophobicContact CD1-CG2 4.25Å; Y305-V308 HydrophobicContact CG-CG2 4.42Å; V308-N310 PolarHBondContact O-N 3.42Å; V308-E312 HydrophobicContact CG1-CB 4.39Å
309	P	78.4	Confident	84.3	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.019	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	135.2	173.7	-24	32.7	0	0	0	111.1	I205 W280 S311 E312 E313	I205-P309 HydrophobicContact CG2-CB 4.11Å; I205-P309 HydrophobicContact CG2-CG 4.38Å; W280-P309 HydrophobicContact CD2-CG 3.96Å; W280-P309 HydrophobicContact CE3-CG 4.08Å; W280-P309 HydrophobicContact CG-CG 4.45Å; W280-P309 VanDerWaalsContact CH2-CD 3.4Å; W280-P309 HydrophobicContact CZ2-CG 4.4Å; W280-P309 VanDerWaalsContact CZ3-CD 3.43Å; W280-P309 HydrophobicContact CZ3-CG 4.34Å; P309-S311 PolarHBondContact O-N 2.78Å; P309-S311 VanDerWaalsContact O-N 3.15Å; P309-E312 HydrophobicContact CB-CB 4.19Å; P309-E312 HydrophobicContact CB-CG 3.98Å; P309-E312 HydrophobicContact CG-CG 4.27Å; P309-E312 PolarHBondContact O-N 3.45Å; P309-E313 PolarHBondContact O-N 2.88Å
310	N	74.1	Confident	84.2	Confident	81 Å²	81	47.3 Å²	47.3	43%	0.433	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-56.1	-34.7	-178.7	-76	6.2	0	0	0	112.8	P206 C208 V308 E312 E313	P206-N310 PolarHBondContact O-N 3.12Å; P206-N310 PolarHBondContact O-OD1 3.17Å; C208-N310 WeakPolarHBondContact CA-OD1 3.43Å; C208-N310 VanDerWaalsContact CB-OD1 3.25Å; C208-N310 WeakPolarHBondContact CB-OD1 3.47Å; C208-N310 PolarHBondContact N-OD1 3.03Å; V308-N310 PolarHBondContact O-N 3.42Å; N310-E312 PolarHBondContact O-N 3.4Å; N310-E313 PolarHBondContact O-N 2.82Å
311	S	71.8	Confident	83.8	Confident	102 Å²	102	51.7 Å²	51.7	71%	0.713	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-64.3	-21.2	177	52.5	0	0	0	0	113.6	P309	P309-S311 PolarHBondContact O-N 2.78Å; P309-S311 VanDerWaalsContact O-N 3.15Å
312	E	74.9	Confident	83.3	Confident	31 Å²	31	59.3 Å²	59.3	15%	0.145	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-108.3	2.4	-171.3	-62.5	-70	141.5	0	0	112.2	W280 V308 P309 N310 T316	W280-E312 HydrophobicContact CZ2-CB 4.05Å; W280-E312 VanDerWaalsContact NE1-CG 3.34Å; W280-E312 PolarHBondContact NE1-OE2 2.96Å; V308-E312 HydrophobicContact CG1-CB 4.39Å; P309-E312 HydrophobicContact CB-CB 4.19Å; P309-E312 HydrophobicContact CB-CG 3.98Å; P309-E312 HydrophobicContact CG-CG 4.27Å; P309-E312 PolarHBondContact O-N 3.45Å; N310-E312 PolarHBondContact O-N 3.4Å; E312-T316 VanDerWaalsContact O-CB 3.25Å; E312-T316 WeakPolarHBondContact O-CB 3.4Å; E312-T316 PolarHBondContact O-N 2.82Å; E312-T316 PolarHBondContact O-OG1 3.07Å
313	E	79.9	Confident	82.9	Confident	55 Å²	55	62.1 Å²	62.1	26%	0.257	30%	0.301	S	S	.	.	H	α-helix	trans	-59.9	-53.1	-174.1	179.5	173	174	0	0	112.4	F210 P309 N310 T316 K317	F210-E313 HydrophobicContact CD1-CG 3.78Å; F210-E313 HydrophobicContact CE1-CB 4.42Å; F210-E313 HydrophobicContact CE1-CG 3.74Å; F210-E313 HydrophobicContact CZ-CG 4.47Å; P309-E313 PolarHBondContact O-N 2.88Å; N310-E313 PolarHBondContact O-N 2.82Å; E313-T316 PolarHBondContact O-N 2.86Å; E313-K317 HydrophobicContact CG-CD 4.32Å; E313-K317 WeakPolarHBondContact O-CG 3.44Å; E313-K317 PolarHBondContact O-N 3.22Å; E313-K317 VanDerWaalsContact OE1-CE 3.32Å; E313-K317 WeakPolarHBondContact OE1-CE 3.31Å; E313-K317 IonicContact OE1-NZ 3.02Å; E313-K317 PolarHBondContact OE1-NZ 2.65Å
314	E	77.7	Confident	82.6	Confident	171 Å²	171	62.5 Å²	62.5	80%	0.799	30%	0.303	S	S	*	.	H	α-helix	trans	-66.2	-41.3	-178.3	-69.2	-165.5	155.1	0	0	111.9	K317 G318	E314-K317 PolarHBondContact O-N 3.18Å; E314-G318 PolarHBondContact O-N 3.4Å
315	Q	77.5	Confident	82.5	Confident	101 Å²	101	59 Å²	59	47%	0.472	29%	0.287	S	S	.	.	H	α-helix	trans	-62.8	-44.1	176.6	178.9	170.7	-19.9	0	0	111.4	F277 G318 G319	F277-Q315 HydrophobicContact CE2-CG 4.09Å; F277-Q315 HydrophobicContact CZ-CG 4.33Å; Q315-G318 PolarHBondContact O-N 2.94Å; Q315-G319 PolarHBondContact O-N 2.82Å
316	T	78.9	Confident	82.4	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.3	-45.9	176.7	-57.2	0	0	0	0	110.5	F210 W275 Y305 E312 E313 G319 W320	F210-T316 HydrophobicContact CZ-CG2 4.08Å; W275-T316 HydrophobicContact CH2-CG2 4.21Å; W275-T316 HydrophobicContact CZ3-CG2 4.04Å; Y305-T316 HydrophobicContact CD1-CG2 4.07Å; Y305-T316 HydrophobicContact CE1-CG2 3.96Å; E312-T316 VanDerWaalsContact O-CB 3.25Å; E312-T316 WeakPolarHBondContact O-CB 3.4Å; E312-T316 PolarHBondContact O-N 2.82Å; E312-T316 PolarHBondContact O-OG1 3.07Å; E313-T316 PolarHBondContact O-N 2.86Å; T316-G319 PolarHBondContact O-N 2.89Å; T316-W320 WeakPolarHBondContact O-CB 3.32Å; T316-W320 VanDerWaalsContact O-CD1 3.27Å; T316-W320 PolarHBondContact O-N 2.86Å
317	K	83.5	Confident	82.4	Confident	63 Å²	63	56.2 Å²	56.2	27%	0.274	28%	0.283	S	S	.	.	H	α-helix	trans	-60.9	-47	176.6	-74.2	175.7	-174.2	170.9	0	112.4	F210 I212 E313 E314 K321	F210-K317 HydrophobicContact CD2-CD 4.16Å; F210-K317 HydrophobicContact CD2-CG 3.84Å; F210-K317 HydrophobicContact CE2-CD 4.13Å; F210-K317 HydrophobicContact CE2-CG 3.34Å; F210-K317 VanDerWaalsContact CG-CE 3.41Å; F210-K317 HydrophobicContact CZ-CG 3.8Å; I212-K317 HydrophobicContact CG2-CG 4.25Å; E313-K317 HydrophobicContact CG-CD 4.32Å; E313-K317 WeakPolarHBondContact O-CG 3.44Å; E313-K317 PolarHBondContact O-N 3.22Å; E313-K317 VanDerWaalsContact OE1-CE 3.32Å; E313-K317 WeakPolarHBondContact OE1-CE 3.31Å; E313-K317 IonicContact OE1-NZ 3.02Å; E313-K317 PolarHBondContact OE1-NZ 2.65Å; E314-K317 PolarHBondContact O-N 3.18Å; K317-K321 WeakPolarHBondContact O-CG 3.27Å; K317-K321 PolarHBondContact O-N 2.89Å; K317-K321 VanDerWaalsContact O-N 3.12Å
318	G	78.8	Confident	82.9	Confident	40 Å²	40	55.6 Å²	55.6	41%	0.412	28%	0.276	S	S	.	.	H	α-helix	trans	-65	-43.9	179.4	0	0	0	0	0	112.3	E314 Q315 K321 R322	E314-G318 PolarHBondContact O-N 3.4Å; Q315-G318 PolarHBondContact O-N 2.94Å; G318-K321 PolarHBondContact O-N 3.17Å; G318-R322 WeakPolarHBondContact O-CB 3.36Å; G318-R322 PolarHBondContact O-N 2.8Å
319	G	84.6	Confident	83.2	Confident	12 Å²	12	57.7 Å²	57.7	12%	0.124	29%	0.285	C	S	.	.	H	α-helix	trans	-62.6	-42.5	177.3	0	0	0	0	0	112.6	Q315 T316 R322 Y323	Q315-G319 PolarHBondContact O-N 2.82Å; T316-G319 PolarHBondContact O-N 2.89Å; G319-R322 PolarHBondContact O-N 2.96Å; G319-Y323 WeakPolarHBondContact O-CB 3.25Å; G319-Y323 WeakPolarHBondContact O-CD2 3.43Å; G319-Y323 PolarHBondContact O-N 2.75Å
320	W	89.6	Confident	83.7	Confident	1 Å²	1	63.8 Å²	63.8	0%	0.004	31%	0.313	C	S	.	.	H	α-helix	trans	-65	-43.1	176.6	-90.8	80.5	0	0	0	113.1	I212 F227 M273 W275 I288 L290 V303 Y305 T316 R322 Y324 F325	I212-W320 HydrophobicContact CD1-CB 3.94Å; F227-W320 HydrophobicContact CE1-CZ3 4.21Å; M273-W320 HydrophobicContact CE-CH2 3.66Å; M273-W320 HydrophobicContact CE-CZ2 4.17Å; W275-W320 AromaticContact CD1-CZ2 3.95Å; W275-W320 AromaticContact CE2-NE1 3.51Å; W275-W320 AromaticContact CH2-NE1 3.95Å; W275-W320 AromaticContact CZ2-NE1 3.43Å; W275-W320 AromaticContact NE1-CZ2 3.71Å; W275-W320 AromaticContact NE1-NE1 3.82Å; I288-W320 HydrophobicContact CD1-CH2 4.34Å; I288-W320 HydrophobicContact CD1-CZ2 3.36Å; I288-W320 HydrophobicContact CG2-CH2 3.98Å; I288-W320 HydrophobicContact CG2-CZ2 4Å; L290-W320 HydrophobicContact CD2-CH2 4.04Å; L290-W320 HydrophobicContact CD2-CZ3 3.81Å; V303-W320 HydrophobicContact CG1-CE3 4.36Å; V303-W320 HydrophobicContact CG1-CH2 4.39Å; V303-W320 HydrophobicContact CG1-CZ3 4.09Å; V303-W320 HydrophobicContact CG2-CZ3 4.46Å; Y305-W320 AromaticContact CE1-CD1 3.74Å; Y305-W320 AromaticContact CE1-CD2 3.99Å; Y305-W320 HydrophobicContact CE1-CD2 3.99Å; Y305-W320 AromaticContact CE1-CE2 3.78Å; Y305-W320 AromaticContact CE1-CG 3.98Å; Y305-W320 HydrophobicContact CE1-CG 3.98Å; Y305-W320 HydrophobicContact CE1-CZ2 4.4Å; Y305-W320 AromaticContact CE1-NE1 3.61Å; Y305-W320 AromaticContact CZ-CD2 3.89Å; Y305-W320 AromaticContact CZ-CG 3.88Å; Y305-W320 WeakPolarHBondContact OH-CB 3.29Å; Y305-W320 VanDerWaalsContact OH-CE3 3.24Å; T316-W320 WeakPolarHBondContact O-CB 3.32Å; T316-W320 VanDerWaalsContact O-CD1 3.27Å; T316-W320 PolarHBondContact O-N 2.86Å; W320-R322 PolarHBondContact O-N 2.89Å; W320-Y324 AromaticContact CD2-CD2 3.97Å; W320-Y324 HydrophobicContact CD2-CD2 3.97Å; W320-Y324 HydrophobicContact CD2-CE2 4.19Å; W320-Y324 HydrophobicContact CD2-CG 4.25Å; W320-Y324 HydrophobicContact CE3-CD1 4.3Å; W320-Y324 HydrophobicContact CE3-CD2 4.1Å; W320-Y324 AromaticContact CE3-CG 3.91Å; W320-Y324 HydrophobicContact CE3-CG 3.91Å; W320-Y324 HydrophobicContact CG-CD2 4.23Å; W320-Y324 HydrophobicContact CG-CE2 4.48Å; W320-Y324 HydrophobicContact CH2-CD1 4.28Å; W320-Y324 HydrophobicContact CH2-CE1 4.17Å; W320-Y324 HydrophobicContact CZ2-CE1 4.34Å; W320-Y324 HydrophobicContact CZ2-CE2 4.48Å; W320-Y324 HydrophobicContact CZ3-CD1 4.05Å; W320-Y324 HydrophobicContact CZ3-CE1 4.4Å; W320-Y324 HydrophobicContact CZ3-CG 4.13Å; W320-Y324 WeakPolarHBondContact O-CB 3.49Å; W320-Y324 PolarHBondContact O-N 3.13Å; W320-F325 HydrophobicContact CE3-CE1 4.03Å; W320-F325 HydrophobicContact CE3-CZ 4.43Å; W320-F325 HydrophobicContact CZ3-CE1 4.47Å; W320-F325 PolarHBondContact O-N 3.29Å; W320-F325 VanDerWaalsContact O-N 3.08Å
321	K	86.7	Confident	84.4	Confident	117 Å²	117	62.2 Å²	62.2	51%	0.509	31%	0.307	S	S	.	.	I	π-helix	trans	-60.3	-47.8	175.3	-74	179.6	178.3	-175.1	0	111.9	K317 G318 F325 E326	K317-K321 WeakPolarHBondContact O-CG 3.27Å; K317-K321 PolarHBondContact O-N 2.89Å; K317-K321 VanDerWaalsContact O-N 3.12Å; G318-K321 PolarHBondContact O-N 3.17Å; K321-F325 HydrophobicContact CG-CD2 4.33Å; K321-F325 WeakPolarHBondContact O-CB 3.27Å; K321-F325 PolarHBondContact O-N 3.44Å; K321-E326 WeakPolarHBondContact O-CB 3.06Å; K321-E326 WeakPolarHBondContact O-CG 3.31Å; K321-E326 PolarHBondContact O-N 3.09Å
322	R	83.6	Confident	85.3	Confident	160 Å²	160	59.8 Å²	59.8	60%	0.604	28%	0.284	S	S	*	.	I	π-helix	trans	-76.7	-52	-174.3	-173.4	174.7	178.5	171	-1.9	113.4	G318 G319 W320 A327	G318-R322 WeakPolarHBondContact O-CB 3.36Å; G318-R322 PolarHBondContact O-N 2.8Å; G319-R322 PolarHBondContact O-N 2.96Å; W320-R322 PolarHBondContact O-N 2.89Å; R322-A327 PolarHBondContact O-N 3.13Å
323	Y	86.2	Confident	85.8	Confident	108 Å²	108	60.2 Å²	60.2	42%	0.424	30%	0.296	S	S	.	.	I	π-helix	trans	-89.9	-14.9	-169.7	-61.3	-65.8	0	0	0	114.1	F236 L254 G319 A327	F236-Y323 WeakPolarHBondContact CD2-O 3.22Å; F236-Y323 WeakPolarHBondContact CE2-O 3.28Å; L254-Y323 HydrophobicContact CD1-CD2 4.3Å; L254-Y323 HydrophobicContact CD1-CG 4.12Å; L254-Y323 HydrophobicContact CD2-CD1 4.2Å; L254-Y323 HydrophobicContact CD2-CG 4.35Å; G319-Y323 WeakPolarHBondContact O-CB 3.25Å; G319-Y323 WeakPolarHBondContact O-CD2 3.43Å; G319-Y323 PolarHBondContact O-N 2.75Å; Y323-A327 VanDerWaalsContact O-CB 3.31Å; Y323-A327 WeakPolarHBondContact O-CB 3.41Å
324	Y	89.7	Confident	86.2	Confident	9 Å²	9	59 Å²	59	4%	0.035	29%	0.289	C	S	.	.	I	π-helix	trans	-110.6	-64.8	173	-63.2	-104.7	0	0	0	109.8	F227 F236 L253 W275 W320 I328	F227-Y324 AromaticContact CE1-CD1 3.78Å; F227-Y324 HydrophobicContact CE1-CD1 3.78Å; F227-Y324 HydrophobicContact CE1-CE1 4.39Å; F236-Y324 HydrophobicContact CE2-CD1 4.12Å; F236-Y324 HydrophobicContact CE2-CG 4.49Å; F236-Y324 HydrophobicContact CZ-CD1 4.12Å; F236-Y324 HydrophobicContact CZ-CE1 4.48Å; L253-Y324 HydrophobicContact CD1-CE1 4.1Å; L253-Y324 WeakPolarHBondContact CD1-OH 3.32Å; W275-Y324 PolarHBondContact NE1-OH 3.24Å; W275-Y324 VanDerWaalsContact NE1-OH 3.16Å; W320-Y324 AromaticContact CD2-CD2 3.97Å; W320-Y324 HydrophobicContact CD2-CD2 3.97Å; W320-Y324 HydrophobicContact CD2-CE2 4.19Å; W320-Y324 HydrophobicContact CD2-CG 4.25Å; W320-Y324 HydrophobicContact CE3-CD1 4.3Å; W320-Y324 HydrophobicContact CE3-CD2 4.1Å; W320-Y324 AromaticContact CE3-CG 3.91Å; W320-Y324 HydrophobicContact CE3-CG 3.91Å; W320-Y324 HydrophobicContact CG-CD2 4.23Å; W320-Y324 HydrophobicContact CG-CE2 4.48Å; W320-Y324 HydrophobicContact CH2-CD1 4.28Å; W320-Y324 HydrophobicContact CH2-CE1 4.17Å; W320-Y324 HydrophobicContact CZ2-CE1 4.34Å; W320-Y324 HydrophobicContact CZ2-CE2 4.48Å; W320-Y324 HydrophobicContact CZ3-CD1 4.05Å; W320-Y324 HydrophobicContact CZ3-CE1 4.4Å; W320-Y324 HydrophobicContact CZ3-CG 4.13Å; W320-Y324 WeakPolarHBondContact O-CB 3.49Å; W320-Y324 PolarHBondContact O-N 3.13Å; Y324-I328 WeakPolarHBondContact O-CB 3.31Å; Y324-I328 VanDerWaalsContact O-CD1 3.32Å; Y324-I328 WeakPolarHBondContact O-CD1 3.38Å; Y324-I328 WeakPolarHBondContact O-CG1 3.15Å; Y324-I328 PolarHBondContact O-N 3.28Å
325	F	91.2	Very high	86.1	Confident	2 Å²	2	53 Å²	53	1%	0.009	27%	0.273	C	S	.	.	I	π-helix	trans	-68.6	-56.1	-168.5	-57	-14.4	0	0	0	113.1	I212 D214 F216 L301 V303 W320 K321 A327 I328 K329	I212-F325 HydrophobicContact CD1-CD2 4.49Å; I212-F325 HydrophobicContact CD1-CE2 3.38Å; I212-F325 HydrophobicContact CD1-CZ 3.44Å; I212-F325 VanDerWaalsContact CD1-CZ 3.44Å; I212-F325 HydrophobicContact CG1-CE2 3.68Å; I212-F325 HydrophobicContact CG1-CZ 3.68Å; D214-F325 HydrophobicContact CB-CD2 3.57Å; D214-F325 HydrophobicContact CB-CE2 3.76Å; D214-F325 HydrophobicContact CB-CG 4.15Å; D214-F325 HydrophobicContact CB-CZ 4.47Å; D214-F325 WeakPolarHBondContact OD2-CB 3.15Å; D214-F325 WeakPolarHBondContact OD2-CD2 3.05Å; F216-F325 HydrophobicContact CE2-CD1 4.36Å; F216-F325 HydrophobicContact CZ-CB 3.93Å; F216-F325 AromaticContact CZ-CD1 3.74Å; F216-F325 HydrophobicContact CZ-CD1 3.74Å; F216-F325 AromaticContact CZ-CG 3.98Å; F216-F325 HydrophobicContact CZ-CG 3.98Å; L301-F325 HydrophobicContact CD2-CD1 4.3Å; L301-F325 HydrophobicContact CD2-CE1 3.71Å; L301-F325 HydrophobicContact CD2-CZ 4.47Å; V303-F325 HydrophobicContact CG2-CE1 3.98Å; V303-F325 HydrophobicContact CG2-CZ 3.64Å; W320-F325 HydrophobicContact CE3-CE1 4.03Å; W320-F325 HydrophobicContact CE3-CZ 4.43Å; W320-F325 HydrophobicContact CZ3-CE1 4.47Å; W320-F325 PolarHBondContact O-N 3.29Å; W320-F325 VanDerWaalsContact O-N 3.08Å; K321-F325 HydrophobicContact CG-CD2 4.33Å; K321-F325 WeakPolarHBondContact O-CB 3.27Å; K321-F325 PolarHBondContact O-N 3.44Å; F325-A327 VanDerWaalsContact C-N 3.32Å; F325-A327 PolarHBondContact O-N 3.42Å; F325-I328 PolarHBondContact O-N 3.3Å; F325-K329 VanDerWaalsContact O-CB 3.32Å; F325-K329 WeakPolarHBondContact O-CB 3.23Å; F325-K329 VanDerWaalsContact O-CG 3.24Å; F325-K329 WeakPolarHBondContact O-CG 3.38Å; F325-K329 PolarHBondContact O-N 3.42Å
326	E	88.1	Confident	85.4	Confident	99 Å²	99	51 Å²	51	46%	0.463	27%	0.274	S	S	.	.	I	π-helix	trans	-62.1	-42.5	178.5	-71.6	174.8	-175.7	0	0	111.2	K321 K329 Q330	K321-E326 WeakPolarHBondContact O-CB 3.06Å; K321-E326 WeakPolarHBondContact O-CG 3.31Å; K321-E326 PolarHBondContact O-N 3.09Å; E326-K329 PolarHBondContact O-N 3.37Å; E326-Q330 WeakPolarHBondContact O-CB 3.3Å; E326-Q330 VanDerWaalsContact O-CG 3.25Å; E326-Q330 WeakPolarHBondContact O-CG 3.26Å; E326-Q330 PolarHBondContact O-N 3.07Å
327	A	89	Confident	84.3	Confident	12 Å²	12	58.7 Å²	58.7	10%	0.099	30%	0.303	C	S	.	.	H	α-helix	trans	-61.2	-47.5	178.1	0	0	0	0	0	112.9	F236 R322 Y323 F325 Q330 T331	F236-A327 HydrophobicContact CB-CB 4.3Å; F236-A327 HydrophobicContact CD2-CB 3.98Å; F236-A327 WeakPolarHBondContact O-CB 3.43Å; R322-A327 PolarHBondContact O-N 3.13Å; Y323-A327 VanDerWaalsContact O-CB 3.31Å; Y323-A327 WeakPolarHBondContact O-CB 3.41Å; F325-A327 VanDerWaalsContact C-N 3.32Å; F325-A327 PolarHBondContact O-N 3.42Å; A327-Q330 PolarHBondContact O-N 3.2Å; A327-T331 WeakPolarHBondContact O-CB 3.41Å; A327-T331 PolarHBondContact O-N 2.92Å; A327-T331 PolarHBondContact O-OG1 3.22Å
328	I	92.2	Very high	82.5	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-63.5	-45.2	176.8	-71.4	168	0	0	0	110	F216 L223 V226 F227 F236 Y324 F325 Q330 T331 F332 Y334	F216-I328 HydrophobicContact CD1-CG2 3.98Å; F216-I328 HydrophobicContact CE1-CB 4.09Å; F216-I328 HydrophobicContact CE1-CG2 3.76Å; L223-I328 HydrophobicContact CD1-CG2 4Å; V226-I328 HydrophobicContact CG1-CD1 3.91Å; V226-I328 HydrophobicContact CG1-CG1 3.9Å; V226-I328 HydrophobicContact CG1-CG2 4.31Å; F227-I328 HydrophobicContact CE1-CD1 4.36Å; F227-I328 HydrophobicContact CE2-CD1 4.03Å; F227-I328 HydrophobicContact CZ-CD1 3.76Å; F236-I328 HydrophobicContact CB-CG1 4.09Å; F236-I328 HydrophobicContact CD1-CD1 4.37Å; F236-I328 HydrophobicContact CD1-CG1 3.72Å; F236-I328 HydrophobicContact CD2-CG1 3.92Å; F236-I328 HydrophobicContact CE1-CD1 4.17Å; F236-I328 HydrophobicContact CE1-CG1 4.03Å; F236-I328 HydrophobicContact CE2-CD1 4.47Å; F236-I328 HydrophobicContact CE2-CG1 4.27Å; F236-I328 HydrophobicContact CG-CG1 3.66Å; F236-I328 HydrophobicContact CZ-CD1 4.27Å; F236-I328 HydrophobicContact CZ-CG1 4.33Å; Y324-I328 WeakPolarHBondContact O-CB 3.31Å; Y324-I328 VanDerWaalsContact O-CD1 3.32Å; Y324-I328 WeakPolarHBondContact O-CD1 3.38Å; Y324-I328 WeakPolarHBondContact O-CG1 3.15Å; Y324-I328 PolarHBondContact O-N 3.28Å; F325-I328 PolarHBondContact O-N 3.3Å; I328-Q330 VanDerWaalsContact C-N 3.34Å; I328-Q330 PolarHBondContact O-N 3.08Å; I328-T331 PolarHBondContact O-N 2.71Å; I328-F332 HydrophobicContact CG2-CD2 4.05Å; I328-F332 PolarHBondContact O-N 2.75Å; I328-Y334 HydrophobicContact CG2-CD2 3.63Å; I328-Y334 HydrophobicContact CG2-CE2 4.14Å
329	K	91.1	Very high	80.9	Confident	44 Å²	44	73.8 Å²	73.8	19%	0.191	37%	0.365	C	S	.	.	H	α-helix	trans	-59	-42.8	177.6	-78.7	174.7	175.3	177.5	0	112.7	D214 T215 F216 F325 E326 G333 Y334 G335	D214-K329 IonicContact OD1-NZ 3.27Å; D214-K329 PolarHBondContact OD1-NZ 3.23Å; D214-K329 IonicContact OD2-NZ 3.42Å; D214-K329 PolarHBondContact OD2-NZ 3.35Å; T215-K329 WeakPolarHBondContact O-CE 3.38Å; T215-K329 PolarHBondContact O-NZ 2.99Å; F216-K329 HydrophobicContact CD1-CG 3.86Å; F216-K329 HydrophobicContact CE1-CD 4.42Å; F216-K329 HydrophobicContact CE1-CG 3.79Å; F325-K329 VanDerWaalsContact O-CB 3.32Å; F325-K329 WeakPolarHBondContact O-CB 3.23Å; F325-K329 VanDerWaalsContact O-CG 3.24Å; F325-K329 WeakPolarHBondContact O-CG 3.38Å; F325-K329 PolarHBondContact O-N 3.42Å; E326-K329 PolarHBondContact O-N 3.37Å; K329-G333 CarbonylContact O-C 3.49Å; K329-G333 VanDerWaalsContact O-CA 3.23Å; K329-G333 WeakPolarHBondContact O-CA 3.31Å; K329-G333 PolarHBondContact O-N 3.19Å; K329-G333 VanDerWaalsContact O-N 3.12Å; K329-Y334 PolarHBondContact O-N 2.8Å; K329-G335 PolarHBondContact O-N 2.93Å
330	Q	88.4	Confident	80.7	Confident	131 Å²	131	76.9 Å²	76.9	61%	0.612	38%	0.378	S	S	*	.	H	α-helix	trans	-73.9	-40.2	179.4	-73.3	177.4	15.3	0	0	112.4	E326 A327 I328	E326-Q330 WeakPolarHBondContact O-CB 3.3Å; E326-Q330 VanDerWaalsContact O-CG 3.25Å; E326-Q330 WeakPolarHBondContact O-CG 3.26Å; E326-Q330 PolarHBondContact O-N 3.07Å; A327-Q330 PolarHBondContact O-N 3.2Å; I328-Q330 VanDerWaalsContact C-N 3.34Å; I328-Q330 PolarHBondContact O-N 3.08Å
331	T	90.3	Very high	80.3	Confident	48 Å²	48	80.9 Å²	80.9	29%	0.294	40%	0.397	S	S	.	.	H	α-helix	trans	-76.5	-41.5	-172.3	-56	0	0	0	0	112	A235 F236 A327 I328	A235-T331 HydrophobicContact CB-CG2 3.99Å; F236-T331 WeakPolarHBondContact CA-OG1 3.35Å; F236-T331 HydrophobicContact CB-CG2 4.29Å; A327-T331 WeakPolarHBondContact O-CB 3.41Å; A327-T331 PolarHBondContact O-N 2.92Å; A327-T331 PolarHBondContact O-OG1 3.22Å; I328-T331 PolarHBondContact O-N 2.71Å
332	F	89	Confident	79.9	Confident	52 Å²	52	78.9 Å²	78.9	23%	0.228	39%	0.391	C	S	.	.	H	α-helix	trans	-104.6	2.2	-177.6	-55.5	-67.8	0	0	0	113.5	V226 M232 A235 F236 I328 Y334	V226-F332 HydrophobicContact CB-CE2 4.49Å; V226-F332 HydrophobicContact CG1-CD2 4.27Å; V226-F332 HydrophobicContact CG1-CE2 3.68Å; V226-F332 HydrophobicContact CG1-CZ 4.44Å; V226-F332 HydrophobicContact CG2-CD2 4.1Å; V226-F332 HydrophobicContact CG2-CE2 3.92Å; V226-F332 HydrophobicContact CG2-CZ 4.33Å; M232-F332 HydrophobicContact CB-CZ 3.95Å; M232-F332 HydrophobicContact CG-CZ 4.44Å; M232-F332 WeakPolarHBondContact O-CZ 3.35Å; M232-F332 HydrophobicContact SD-CD1 4.32Å; M232-F332 HydrophobicContact SD-CE1 3.38Å; M232-F332 WeakPolarHBondContact SD-CE1 3.42Å; M232-F332 HydrophobicContact SD-CZ 3.68Å; A235-F332 HydrophobicContact CB-CE1 4.41Å; A235-F332 HydrophobicContact CB-CZ 4.12Å; F236-F332 HydrophobicContact CB-CE2 3.97Å; F236-F332 HydrophobicContact CD1-CE2 4.09Å; I328-F332 HydrophobicContact CG2-CD2 4.05Å; I328-F332 PolarHBondContact O-N 2.75Å; F332-Y334 VanDerWaalsContact C-N 3.26Å; F332-Y334 HydrophobicContact CB-CD1 3.86Å; F332-Y334 HydrophobicContact CB-CD2 3.96Å; F332-Y334 HydrophobicContact CB-CE1 3.57Å; F332-Y334 HydrophobicContact CB-CE2 3.68Å; F332-Y334 HydrophobicContact CB-CG 4.03Å; F332-Y334 VanDerWaalsContact CB-CZ 3.47Å; F332-Y334 HydrophobicContact CD2-CE2 4.23Å; F332-Y334 HydrophobicContact CG-CE2 4.17Å; F332-Y334 VanDerWaalsContact O-CD1 3.32Å; F332-Y334 WeakPolarHBondContact O-CD1 3.39Å; F332-Y334 WeakPolarHBondContact O-CE1 3.43Å; F332-Y334 PolarHBondContact O-N 3.36Å
333	G	86.2	Confident	79.7	Confident	40 Å²	40	74.1 Å²	74.1	41%	0.412	38%	0.378	S	S	.	.	S	Bend	trans	75	9.5	-180	0	0	0	0	0	114.6	K329 G335 A336	K329-G333 CarbonylContact O-C 3.49Å; K329-G333 VanDerWaalsContact O-CA 3.23Å; K329-G333 WeakPolarHBondContact O-CA 3.31Å; K329-G333 PolarHBondContact O-N 3.19Å; K329-G333 VanDerWaalsContact O-N 3.12Å; G333-G335 PolarHBondContact O-N 3.39Å; G333-A336 PolarHBondContact O-N 3.31Å
334	Y	87.4	Confident	79.3	Confident	28 Å²	28	72 Å²	72	11%	0.11	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-1.7	-176.3	-57.3	-18.4	0	0	0	114.6	F216 L217 T218 L223 V226 I328 K329 F332	F216-Y334 HydrophobicContact CD1-CD2 4.37Å; L217-Y334 PolarHBondContact N-O 2.92Å; T218-Y334 HydrophobicContact CG2-CD1 4.26Å; T218-Y334 HydrophobicContact CG2-CD2 3.74Å; T218-Y334 HydrophobicContact CG2-CE1 4.35Å; T218-Y334 HydrophobicContact CG2-CE2 3.83Å; T218-Y334 HydrophobicContact CG2-CG 3.98Å; L223-Y334 HydrophobicContact CD1-CD2 4.13Å; L223-Y334 HydrophobicContact CD1-CE2 4.27Å; V226-Y334 HydrophobicContact CG2-CE2 4.05Å; I328-Y334 HydrophobicContact CG2-CD2 3.63Å; I328-Y334 HydrophobicContact CG2-CE2 4.14Å; K329-Y334 PolarHBondContact O-N 2.8Å; F332-Y334 VanDerWaalsContact C-N 3.26Å; F332-Y334 HydrophobicContact CB-CD1 3.86Å; F332-Y334 HydrophobicContact CB-CD2 3.96Å; F332-Y334 HydrophobicContact CB-CE1 3.57Å; F332-Y334 HydrophobicContact CB-CE2 3.68Å; F332-Y334 HydrophobicContact CB-CG 4.03Å; F332-Y334 VanDerWaalsContact CB-CZ 3.47Å; F332-Y334 HydrophobicContact CD2-CE2 4.23Å; F332-Y334 HydrophobicContact CG-CE2 4.17Å; F332-Y334 VanDerWaalsContact O-CD1 3.32Å; F332-Y334 WeakPolarHBondContact O-CD1 3.39Å; F332-Y334 WeakPolarHBondContact O-CE1 3.43Å; F332-Y334 PolarHBondContact O-N 3.36Å
335	G	75.5	Confident	78.6	Confident	45 Å²	45	76.2 Å²	76.2	46%	0.464	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-9.6	176.5	0	0	0	0	0	115.1	K329 G333	K329-G335 PolarHBondContact O-N 2.93Å; G333-G335 PolarHBondContact O-N 3.39Å
336	A	63.9	Low	77.7	Confident	59 Å²	59	81.5 Å²	81.5	49%	0.488	43%	0.426	S	S	.	.			trans	-100.2	119.1	-172.4	0	0	0	0	0	111.3	L217 G333 L338	L217-A336 VanDerWaalsContact CD1-O 3.32Å; L217-A336 WeakPolarHBondContact CD1-O 3.49Å; G333-A336 PolarHBondContact O-N 3.31Å; A336-L338 PolarHBondContact O-N 3.15Å
337	R	56.4	Low	76.9	Confident	163 Å²	163	80.2 Å²	80.2	62%	0.615	42%	0.423	S	S	*	.			trans	-81.2	103.7	155.1	-66.2	-174	179.9	177.4	0.2	106.2	L217 E298 F339	L217-R337 HydrophobicContact CD1-CG 3.7Å; E298-R337 IonicContact OE2-NH2 2.99Å; R337-F339 HydrophobicContact CB-CD2 4.06Å; R337-F339 HydrophobicContact CB-CE2 3.66Å; R337-F339 HydrophobicContact CB-CZ 4.21Å; R337-F339 PolarHBondContact O-N 3.15Å
338	L	45.5	Very low	75.9	Confident	174 Å²	174	85.8 Å²	85.8	91%	0.911	45%	0.45	S	S	*	.			trans	-64.1	105.8	166.4	-74.2	162.9	0	0	0	106.5	A336	A336-L338 PolarHBondContact O-N 3.15Å
339	F	44.5	Very low	74.4	Confident	246 Å²	246	93.6 Å²	93.6	100%	1.079	49%	0.491	S	S	*	.			trans	-93	0	167.3	-74.4	-76.8	0	0	0	109.7	R337	R337-F339 HydrophobicContact CB-CD2 4.06Å; R337-F339 HydrophobicContact CB-CE2 3.66Å; R337-F339 HydrophobicContact CB-CZ 4.21Å; R337-F339 PolarHBondContact O-N 3.15Å

Retrieved 339 of 339 residues in 337.6 ms (Link to these results)

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