A0A077Z1H9_TRITR Loading...

protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A077Z1H9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 414 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	35.9	Very low	31.7	Very low	233 Å²	233	151.8 Å²	151.8	100%	1.148	85%	0.852	S	S	*	*				0	119.8	0	-92.8	-174.8	167	0	0	107.7
2	V	34.5	Very low	31.5	Very low	127 Å²	127	150.3 Å²	150.3	77%	0.77	85%	0.849	S	S	*	*			trans	64.1	117.5	144.7	175.5	0	0	0	0	116.4
3	F	33.4	Very low	31.6	Very low	191 Å²	191	148.7 Å²	148.7	84%	0.838	84%	0.844	S	S	*	*			cis	-159.6	146.1	9.9	-119	-113.2	0	0	0	108.8
4	L	28	Very low	31.6	Very low	146 Å²	146	146.8 Å²	146.8	76%	0.764	84%	0.836	S	S	*	*			trans	-69.4	150.1	162.5	-91.2	94.9	0	0	0	111.2
5	T	35.8	Very low	31.5	Very low	147 Å²	147	152.5 Å²	152.5	90%	0.902	84%	0.839	S	S	*	*				-157.5	118.6	127.6	12.2	0	0	0	0	111.5
6	V	30.6	Very low	31.8	Very low	119 Å²	119	147.9 Å²	147.9	72%	0.721	83%	0.827	S	S	*	*			trans	-88.8	138	168.6	168	0	0	0	0	108.4
7	A	31.4	Very low	32.1	Very low	100 Å²	100	153.9 Å²	153.9	83%	0.826	83%	0.834	S	S	*	*			trans	-145.6	92.6	157.9	0	0	0	0	0	110.1
8	M	27.4	Very low	32.8	Very low	179 Å²	179	156.6 Å²	156.6	88%	0.882	83%	0.83	S	S	*	*			trans	-82.1	118.1	160.4	-85.9	-109.1	-118.8	0	0	108.4
9	I	34.2	Very low	33.8	Very low	170 Å²	170	153.4 Å²	153.4	87%	0.872	81%	0.812	S	S	*	*			trans	-139.8	129.8	158.7	-61.9	-174.8	0	0	0	109.5
10	G	26.7	Very low	35.2	Very low	71 Å²	71	150.7 Å²	150.7	73%	0.732	80%	0.798	S	S	*	*			trans	-62.5	152.1	-164.9	0	0	0	0	0	117.6
11	M	30.7	Very low	36.1	Very low	187 Å²	187	146.4 Å²	146.4	92%	0.921	78%	0.775	S	S	*	*			trans	-121	120.2	151.5	-80.2	-164.6	-171.2	0	0	109.5	V13	M11-V13 PolarHBondContact O-N 3.38Å
12	V	29.6	Very low	36.9	Very low	134 Å²	134	140.7 Å²	140.7	81%	0.812	75%	0.746	S	S	*	*			trans	-63.4	117.9	174.4	174.3	0	0	0	0	109.2	V14	V12-V14 HydrophobicContact CG1-CG2 3.85Å; V12-V14 PolarHBondContact O-N 3.49Å; V12-V14 VanDerWaalsContact O-N 3.16Å
13	V	32.3	Very low	38	Very low	129 Å²	129	136.2 Å²	136.2	78%	0.782	72%	0.722	S	S	*	*			trans	-79.6	91.9	169.9	179.3	0	0	0	0	108.4	M11 R15	M11-V13 PolarHBondContact O-N 3.38Å; V13-R15 PolarHBondContact O-N 3.27Å
14	V	31.5	Very low	39.2	Very low	122 Å²	122	131.4 Å²	131.4	74%	0.739	70%	0.702	S	S	*	*			trans	-76.8	102.8	165.2	179.8	0	0	0	0	107.9	V12 A16	V12-V14 HydrophobicContact CG1-CG2 3.85Å; V12-V14 PolarHBondContact O-N 3.49Å; V12-V14 VanDerWaalsContact O-N 3.16Å; V14-A16 VanDerWaalsContact C-N 3.29Å; V14-A16 PolarHBondContact O-N 3.2Å
15	R	30	Very low	40.5	Very low	233 Å²	233	126.6 Å²	126.6	88%	0.879	67%	0.674	S	S	*	*			trans	-77.6	77.5	177.1	-147.3	175.1	-173.1	160.7	1.4	109.5	V13 R17	V13-R15 PolarHBondContact O-N 3.27Å; R15-R17 PolarHBondContact O-N 3.09Å
16	A	36.4	Very low	41.6	Very low	78 Å²	78	122.1 Å²	122.1	65%	0.645	65%	0.648	S	S	*	*			trans	-68.9	120.4	168.7	0	0	0	0	0	108.8	V14 R18	V14-A16 VanDerWaalsContact C-N 3.29Å; V14-A16 PolarHBondContact O-N 3.2Å; A16-R18 VanDerWaalsContact C-N 3.34Å; A16-R18 PolarHBondContact O-N 3.16Å
17	R	37.6	Very low	43.1	Very low	250 Å²	250	124.2 Å²	124.2	94%	0.943	64%	0.643	S	S	*	*			trans	-64.2	92.6	173.5	-72.9	-179.3	175.7	-177.8	-1.3	108.6	R15 I19	R15-R17 PolarHBondContact O-N 3.09Å; R17-I19 PolarHBondContact O-N 3.33Å
18	R	44.4	Very low	44.3	Very low	202 Å²	202	121.6 Å²	121.6	76%	0.762	62%	0.615	S	S	*	*			trans	-64	119.5	167.7	-77.3	-174.9	-179.2	-145.4	-10.3	108.2	A16 D20 E374	A16-R18 VanDerWaalsContact C-N 3.34Å; A16-R18 PolarHBondContact O-N 3.16Å; R18-D20 PolarHBondContact O-N 3.37Å; R18-E374 IonicContact CZ-OE1 3.26Å; R18-E374 IonicContact NH1-OE1 3.82Å; R18-E374 PolarHBondContact NH1-OE1 3.47Å; R18-E374 IonicContact NH2-OE1 3.78Å; R18-E374 PolarHBondContact NH2-OE1 3.4Å
19	I	52.7	Low	45.5	Very low	96 Å²	96	118.5 Å²	118.5	49%	0.492	59%	0.593	S	S	.	*			trans	-65.7	120.8	165	-66	171.4	0	0	0	106	R17 L21 E24 M101	R17-I19 PolarHBondContact O-N 3.33Å; I19-L21 HydrophobicContact CG2-CD2 4.3Å; I19-L21 PolarHBondContact O-N 3.42Å; I19-E24 WeakPolarHBondContact CG2-OE2 3.45Å; I19-M101 HydrophobicContact CD1-SD 4.37Å
20	D	60	Low	46.3	Very low	99 Å²	99	114 Å²	114	53%	0.529	58%	0.577	S	S	.	*			trans	-73.9	85.6	173.2	-176.2	-10.8	0	0	0	108.6	R18 H22 A23 E24	R18-D20 PolarHBondContact O-N 3.37Å; D20-H22 PolarHBondContact O-N 3.26Å; D20-H22 WeakPolarHBondContact OD1-CA 3.46Å; D20-H22 VanDerWaalsContact OD1-CB 3.31Å; D20-H22 WeakPolarHBondContact OD1-CB 3Å; D20-H22 PolarHBondContact OD1-N 3.05Å; D20-H22 VanDerWaalsContact OD1-N 3.09Å; D20-A23 HydrophobicContact CB-CB 3.95Å; D20-A23 VanDerWaalsContact CG-CB 3.49Å; D20-A23 PolarHBondContact O-N 3.03Å; D20-A23 VanDerWaalsContact O-N 3.07Å; D20-A23 PolarHBondContact OD1-N 3.14Å; D20-A23 WeakPolarHBondContact OD2-CB 3.49Å; D20-E24 PolarHBondContact O-N 2.99Å
21	L	54.2	Low	47.5	Very low	61 Å²	61	118.1 Å²	118.1	32%	0.319	58%	0.575	S	S	.	*	H	α-helix	trans	-57.5	-27.5	177.9	-71.1	169.1	0	0	0	111.7	I19 W25 L366 E370	I19-L21 HydrophobicContact CG2-CD2 4.3Å; I19-L21 PolarHBondContact O-N 3.42Å; L21-W25 WeakPolarHBondContact O-CB 3.29Å; L21-W25 PolarHBondContact O-N 2.97Å; L21-L366 HydrophobicContact CD1-CD2 4.26Å; L21-L366 HydrophobicContact CD2-CD2 4.16Å; L21-E370 WeakPolarHBondContact CD1-OE2 3.37Å
22	H	53.8	Low	48.3	Very low	114 Å²	114	114.2 Å²	114.2	53%	0.528	56%	0.556	S	S	.	*	H	α-helix	trans	-69.4	-45.4	175.1	-177.2	70.4	0	0	0	110.9	D20 E24 W25 C26	D20-H22 PolarHBondContact O-N 3.26Å; D20-H22 WeakPolarHBondContact OD1-CA 3.46Å; D20-H22 VanDerWaalsContact OD1-CB 3.31Å; D20-H22 WeakPolarHBondContact OD1-CB 3Å; D20-H22 PolarHBondContact OD1-N 3.05Å; D20-H22 VanDerWaalsContact OD1-N 3.09Å; H22-E24 VanDerWaalsContact C-N 3.32Å; H22-E24 PolarHBondContact O-N 3.21Å; H22-W25 PolarHBondContact O-N 3.38Å; H22-C26 WeakPolarHBondContact O-CB 3.35Å; H22-C26 PolarHBondContact O-N 3.39Å; H22-C26 PolarHBondContact O-SG 3.36Å; H22-C26 VanDerWaalsContact O-SG 3.34Å
23	A	58.1	Low	48.9	Very low	32 Å²	32	111.8 Å²	111.8	26%	0.264	55%	0.545	S	S	.	.	H	α-helix	trans	-66.1	-32.6	174.6	0	0	0	0	0	113.1	D20 R27	D20-A23 HydrophobicContact CB-CB 3.95Å; D20-A23 VanDerWaalsContact CG-CB 3.49Å; D20-A23 PolarHBondContact O-N 3.03Å; D20-A23 VanDerWaalsContact O-N 3.07Å; D20-A23 PolarHBondContact OD1-N 3.14Å; D20-A23 WeakPolarHBondContact OD2-CB 3.49Å; A23-R27 WeakPolarHBondContact O-CB 3.4Å; A23-R27 WeakPolarHBondContact O-CG 3.46Å; A23-R27 PolarHBondContact O-N 3.06Å; A23-R27 PolarHBondContact O-NE 3.42Å
24	E	57	Low	49	Very low	91 Å²	91	108.7 Å²	108.7	43%	0.425	53%	0.529	S	S	.	.	H	α-helix	trans	-72.7	-42	175.6	-146.8	171.9	-156.1	0	0	111.6	I19 D20 H22 R27 L28	I19-E24 WeakPolarHBondContact CG2-OE2 3.45Å; D20-E24 PolarHBondContact O-N 2.99Å; H22-E24 VanDerWaalsContact C-N 3.32Å; H22-E24 PolarHBondContact O-N 3.21Å; E24-R27 WeakPolarHBondContact O-CB 3.44Å; E24-R27 PolarHBondContact O-N 3.3Å; E24-L28 WeakPolarHBondContact O-CG 3.35Å; E24-L28 PolarHBondContact O-N 3.24Å
25	W	56.5	Low	49.2	Very low	44 Å²	44	109.3 Å²	109.3	17%	0.167	54%	0.535	C	S	.	.	H	α-helix	trans	-65.8	-43.1	176.2	-172.9	78.2	0	0	0	112.6	L21 H22 R27 L28 R29 D280	L21-W25 WeakPolarHBondContact O-CB 3.29Å; L21-W25 PolarHBondContact O-N 2.97Å; H22-W25 PolarHBondContact O-N 3.38Å; W25-R27 VanDerWaalsContact C-N 3.31Å; W25-R27 PolarHBondContact O-N 2.93Å; W25-L28 PolarHBondContact O-N 3.06Å; W25-R29 WeakPolarHBondContact O-CB 3.48Å; W25-R29 PolarHBondContact O-N 3.19Å; W25-D280 VanDerWaalsContact CH2-C 3.43Å; W25-D280 HydrophobicContact CH2-CB 3.37Å; W25-D280 WeakPolarHBondContact CH2-O 3.32Å; W25-D280 HydrophobicContact CZ2-CB 4.1Å; W25-D280 WeakPolarHBondContact CZ2-O 3.42Å; W25-D280 HydrophobicContact CZ3-CB 4.06Å; W25-D280 WeakPolarHBondContact CZ3-O 3.46Å
26	C	58.5	Low	49.5	Very low	54 Å²	54	107.1 Å²	107.1	37%	0.365	53%	0.532	S	S	.	.	H	α-helix	trans	-60.4	-39.3	172.7	-76.1	0	0	0	0	112.1	H22 S30	H22-C26 WeakPolarHBondContact O-CB 3.35Å; H22-C26 PolarHBondContact O-N 3.39Å; H22-C26 PolarHBondContact O-SG 3.36Å; H22-C26 VanDerWaalsContact O-SG 3.34Å; C26-S30 PolarHBondContact O-N 2.88Å; C26-S30 VanDerWaalsContact O-N 3.09Å
27	R	62.2	Low	49.6	Very low	163 Å²	163	108.1 Å²	108.1	62%	0.615	54%	0.54	S	S	*	.	H	α-helix	trans	-66.4	-36.8	174.8	-89.6	-173.9	-80.6	-165.5	-3.2	113.3	A23 E24 W25 S30	A23-R27 WeakPolarHBondContact O-CB 3.4Å; A23-R27 WeakPolarHBondContact O-CG 3.46Å; A23-R27 PolarHBondContact O-N 3.06Å; A23-R27 PolarHBondContact O-NE 3.42Å; E24-R27 WeakPolarHBondContact O-CB 3.44Å; E24-R27 PolarHBondContact O-N 3.3Å; W25-R27 VanDerWaalsContact C-N 3.31Å; W25-R27 PolarHBondContact O-N 2.93Å; R27-S30 PolarHBondContact O-OG 3.1Å
28	L	56	Low	49.2	Very low	45 Å²	45	99.5 Å²	99.5	24%	0.236	53%	0.529	C	S	.	.	H	α-helix	trans	-71.5	-43.1	176.8	-75.5	163.8	0	0	0	111	E24 W25 S30 K31 M32	E24-L28 WeakPolarHBondContact O-CG 3.35Å; E24-L28 PolarHBondContact O-N 3.24Å; W25-L28 PolarHBondContact O-N 3.06Å; L28-S30 VanDerWaalsContact C-N 3.35Å; L28-S30 PolarHBondContact O-N 3.34Å; L28-K31 WeakPolarHBondContact O-CB 3.39Å; L28-K31 PolarHBondContact O-N 2.89Å; L28-K31 VanDerWaalsContact O-N 3.1Å; L28-M32 WeakPolarHBondContact O-CG 3.33Å; L28-M32 PolarHBondContact O-N 3.18Å
29	R	52.1	Low	48.6	Very low	113 Å²	113	95.9 Å²	95.9	43%	0.426	52%	0.523	S	S	.	.	H	α-helix	trans	-60.8	-41.6	177.6	-166.3	-179.7	-173.9	-175.9	7.6	112.3	W25 K31 M32 S33 D280	W25-R29 WeakPolarHBondContact O-CB 3.48Å; W25-R29 PolarHBondContact O-N 3.19Å; R29-K31 PolarHBondContact O-N 3.38Å; R29-M32 PolarHBondContact O-N 2.75Å; R29-S33 PolarHBondContact O-N 3.16Å; R29-S33 PolarHBondContact O-OG 2.88Å; R29-S33 VanDerWaalsContact O-OG 3.08Å; R29-D280 IonicContact CZ-OD1 2.59Å; R29-D280 IonicContact CZ-OD2 2.77Å; R29-D280 IonicContact NE-OD1 3.42Å; R29-D280 IonicContact NH1-OD1 3.5Å; R29-D280 PolarHBondContact NH1-OD1 3.25Å; R29-D280 IonicContact NH1-OD2 2.69Å; R29-D280 PolarHBondContact NH1-OD2 2.92Å; R29-D280 IonicContact NH2-OD1 2.75Å; R29-D280 PolarHBondContact NH2-OD1 2.79Å; R29-D280 IonicContact NH2-OD2 3.76Å; R29-D280 PolarHBondContact NH2-OD2 2.93Å
30	S	52.7	Low	47.7	Very low	76 Å²	76	98.1 Å²	98.1	53%	0.531	54%	0.541	S	S	.	.	H	α-helix	trans	-63.8	-26.4	177.3	68	0	0	0	0	113.3	C26 R27 L28	C26-S30 PolarHBondContact O-N 2.88Å; C26-S30 VanDerWaalsContact O-N 3.09Å; R27-S30 PolarHBondContact O-OG 3.1Å; L28-S30 VanDerWaalsContact C-N 3.35Å; L28-S30 PolarHBondContact O-N 3.34Å
31	K	52	Low	46.4	Very low	157 Å²	157	105.3 Å²	105.3	68%	0.683	56%	0.561	S	S	*	*	H	α-helix	trans	-77.5	-30.9	173.4	-70.7	178.3	178.6	179.8	0	112.4	L28 R29	L28-K31 WeakPolarHBondContact O-CB 3.39Å; L28-K31 PolarHBondContact O-N 2.89Å; L28-K31 VanDerWaalsContact O-N 3.1Å; R29-K31 PolarHBondContact O-N 3.38Å
32	M	47.5	Very low	45.4	Very low	106 Å²	106	105.5 Å²	105.5	52%	0.522	57%	0.567	S	S	.	*	H	α-helix	trans	-86.1	-26	-177.8	-64.9	-175.5	-169.3	0	0	114	L28 R29	L28-M32 WeakPolarHBondContact O-CG 3.33Å; L28-M32 PolarHBondContact O-N 3.18Å; R29-M32 PolarHBondContact O-N 2.75Å
33	S	41.8	Very low	44.6	Very low	83 Å²	83	108.6 Å²	108.6	58%	0.58	58%	0.579	S	S	*	*	S	Bend	trans	-90.1	8.7	-177.2	61.1	0	0	0	0	115.1	R29 P35	R29-S33 PolarHBondContact O-N 3.16Å; R29-S33 PolarHBondContact O-OG 2.88Å; R29-S33 VanDerWaalsContact O-OG 3.08Å; S33-P35 WeakPolarHBondContact O-CD 3.39Å
34	S	33.1	Very low	43.7	Very low	64 Å²	64	112.8 Å²	112.8	45%	0.448	60%	0.602	S	S	.	*			trans	-73.6	121.3	176.9	178.1	0	0	0	0	111.6	K36	S34-K36 PolarHBondContact O-N 2.92Å
35	P	36.4	Very low	42.8	Very low	134 Å²	134	116.2 Å²	116.2	87%	0.87	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	17	-178.7	-17.2	31.2	0	0	0	116	S33	S33-P35 WeakPolarHBondContact O-CD 3.39Å
36	K	37.5	Very low	41.9	Very low	188 Å²	188	116.2 Å²	116.2	82%	0.817	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	13.2	-180	-70.2	-169.3	178.8	-179.3	0	114.9	S34 G38	S34-K36 PolarHBondContact O-N 2.92Å; K36-G38 PolarHBondContact O-N 3.33Å
37	A	37	Very low	41.2	Very low	98 Å²	98	121.6 Å²	121.6	81%	0.81	64%	0.644	S	S	*	*			trans	-80.8	53.2	172.3	0	0	0	0	0	112.3
38	G	30.4	Very low	40.2	Very low	69 Å²	69	121.6 Å²	121.6	71%	0.711	65%	0.648	S	S	*	*			trans	-115	41.1	175.8	0	0	0	0	0	112	K36	K36-G38 PolarHBondContact O-N 3.33Å
39	I	31.7	Very low	39.4	Very low	127 Å²	127	122 Å²	122	65%	0.651	66%	0.658	S	S	*	*			trans	-141.8	65.2	170.7	-52.4	-179.8	0	0	0	108.9	R41	I39-R41 PolarHBondContact O-N 3.02Å; I39-R41 VanDerWaalsContact O-N 3.17Å
40	V	33.5	Very low	38.6	Very low	142 Å²	142	123.3 Å²	123.3	86%	0.861	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	73.5	163.9	-176.2	0	0	0	0	107.3
41	R	32.1	Very low	38.1	Very low	251 Å²	251	127.2 Å²	127.2	95%	0.947	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.8	2.9	167.4	-112.1	171.7	-165.9	-174	4.1	116.7	I39	I39-R41 PolarHBondContact O-N 3.02Å; I39-R41 VanDerWaalsContact O-N 3.17Å
42	S	33.9	Very low	37.5	Very low	65 Å²	65	122.1 Å²	122.1	46%	0.455	66%	0.658	S	S	.	*	S	Bend	trans	-121.6	-7	179.9	60.5	0	0	0	0	116.4	V44	S42-V44 PolarHBondContact O-N 3.08Å
43	F	35.6	Very low	37.2	Very low	178 Å²	178	127 Å²	127	78%	0.781	67%	0.671	S	S	*	*	H	α-helix	trans	-82.5	-6.6	-171.5	-103.4	-96.9	0	0	0	116.4	Q45	F43-Q45 VanDerWaalsContact C-N 3.34Å
44	V	40.8	Very low	37.2	Very low	121 Å²	121	128.9 Å²	128.9	73%	0.733	67%	0.674	S	S	*	*	H	α-helix	trans	-76.7	-21.9	175.9	-179.8	0	0	0	0	112	S42	S42-V44 PolarHBondContact O-N 3.08Å
45	Q	37.3	Very low	37.7	Very low	162 Å²	162	130.8 Å²	130.8	76%	0.757	68%	0.678	S	S	*	*	H	α-helix	trans	-84.5	-27.2	179.2	-74.6	175.7	-16.4	0	0	113.2	F43 K48	F43-Q45 VanDerWaalsContact C-N 3.34Å; Q45-K48 PolarHBondContact O-N 3.47Å
46	G	37.4	Very low	37.8	Very low	44 Å²	44	132.8 Å²	132.8	45%	0.454	67%	0.673	S	S	.	*	H	α-helix	trans	-69.3	-33.2	174.6	0	0	0	0	0	114.1	K48 A49 F50	G46-K48 PolarHBondContact O-N 2.7Å; G46-A49 PolarHBondContact O-N 3.34Å; G46-A49 VanDerWaalsContact O-N 3.11Å; G46-F50 PolarHBondContact O-N 3.4Å
47	R	44.8	Very low	37.7	Very low	167 Å²	167	129 Å²	129	63%	0.63	67%	0.669	S	S	*	*	H	α-helix	trans	-63.1	-24	176.4	-92.3	178.9	155.1	167.5	-6.7	113.8	E113	R47-E113 IonicContact NH2-OE1 2.74Å
48	K	40.4	Very low	37.7	Very low	163 Å²	163	129.5 Å²	129.5	71%	0.709	67%	0.667	S	S	*	*	H	α-helix	trans	-84.4	-27.4	174.2	-70.5	-174.4	178.8	-179.6	0	112.9	Q45 G46 S52	Q45-K48 PolarHBondContact O-N 3.47Å; G46-K48 PolarHBondContact O-N 2.7Å; K48-S52 WeakPolarHBondContact O-CB 2.89Å; K48-S52 PolarHBondContact O-N 3.24Å; K48-S52 VanDerWaalsContact O-N 3.14Å; K48-S52 PolarHBondContact O-OG 3.33Å
49	A	40	Very low	38	Very low	53 Å²	53	132 Å²	132	44%	0.438	67%	0.674	S	S	.	*	H	α-helix	trans	-78.9	-31.5	-178.2	0	0	0	0	0	113.3	G46 S52 R53	G46-A49 PolarHBondContact O-N 3.34Å; G46-A49 VanDerWaalsContact O-N 3.11Å; A49-S52 PolarHBondContact O-OG 3.39Å; A49-S52 VanDerWaalsContact O-OG 3.08Å; A49-R53 PolarHBondContact O-N 3.43Å
50	F	35.6	Very low	38.5	Very low	141 Å²	141	131.1 Å²	131.1	62%	0.618	68%	0.679	S	S	*	*	H	α-helix	trans	-77.6	-40.3	174.2	-164.9	-103.3	0	0	0	112.1	G46 S52 R53 I54	G46-F50 PolarHBondContact O-N 3.4Å; F50-S52 PolarHBondContact O-N 3.28Å; F50-R53 PolarHBondContact O-N 3.24Å; F50-I54 HydrophobicContact CD1-CD1 4.3Å; F50-I54 HydrophobicContact CE1-CD1 3.88Å; F50-I54 HydrophobicContact CZ-CD1 4.42Å; F50-I54 PolarHBondContact O-N 3.4Å
51	K	41.2	Very low	38.7	Very low	159 Å²	159	129.3 Å²	129.3	69%	0.691	67%	0.673	S	S	*	*	H	α-helix	trans	-61.3	-29.3	170.4	-80.8	-174.5	175.3	-178.6	0	113	I55	K51-I55 WeakPolarHBondContact O-CD1 3.36Å; K51-I55 VanDerWaalsContact O-CG1 3.23Å; K51-I55 WeakPolarHBondContact O-CG1 3.23Å
52	S	40	Very low	39.1	Very low	49 Å²	49	125.1 Å²	125.1	34%	0.343	67%	0.669	S	S	.	*	H	α-helix	trans	-84	-19.8	176.7	73.2	0	0	0	0	114.2	K48 A49 F50 I55 K56	K48-S52 WeakPolarHBondContact O-CB 2.89Å; K48-S52 PolarHBondContact O-N 3.24Å; K48-S52 VanDerWaalsContact O-N 3.14Å; K48-S52 PolarHBondContact O-OG 3.33Å; A49-S52 PolarHBondContact O-OG 3.39Å; A49-S52 VanDerWaalsContact O-OG 3.08Å; F50-S52 PolarHBondContact O-N 3.28Å; S52-I55 PolarHBondContact O-N 2.97Å; S52-K56 WeakPolarHBondContact O-CG 3.41Å
53	R	40.8	Very low	39.2	Very low	208 Å²	208	131.7 Å²	131.7	79%	0.785	69%	0.69	S	S	*	*	H	α-helix	trans	-78.7	-28.2	175.4	-87.1	-178.2	-177.8	175.3	1.3	113.8	A49 F50 I55	A49-R53 PolarHBondContact O-N 3.43Å; F50-R53 PolarHBondContact O-N 3.24Å; R53-I55 VanDerWaalsContact C-N 3.26Å
54	I	41.1	Very low	39.2	Very low	124 Å²	124	129.1 Å²	129.1	64%	0.636	69%	0.69	S	S	*	*	S	Bend	trans	-77.1	-15.2	171.5	-63.9	174.1	0	0	0	111.6	F50	F50-I54 HydrophobicContact CD1-CD1 4.3Å; F50-I54 HydrophobicContact CE1-CD1 3.88Å; F50-I54 HydrophobicContact CZ-CD1 4.42Å; F50-I54 PolarHBondContact O-N 3.4Å
55	I	43.9	Very low	39	Very low	104 Å²	104	128.9 Å²	128.9	53%	0.533	69%	0.694	S	S	.	*	S	Bend	trans	-97.8	-6.1	-177.4	-65.3	173.9	0	0	0	112.9	K51 S52 R53	K51-I55 WeakPolarHBondContact O-CD1 3.36Å; K51-I55 VanDerWaalsContact O-CG1 3.23Å; K51-I55 WeakPolarHBondContact O-CG1 3.23Å; S52-I55 PolarHBondContact O-N 2.97Å; R53-I55 VanDerWaalsContact C-N 3.26Å
56	K	38.7	Very low	39	Very low	176 Å²	176	131.1 Å²	131.1	77%	0.765	70%	0.701	S	S	*	*			trans	-104	13	-171.8	-83.8	-173.5	176	-173.6	0	116.5	S52	S52-K56 WeakPolarHBondContact O-CG 3.41Å
57	S	36.5	Very low	38.7	Very low	107 Å²	107	136.6 Å²	136.6	75%	0.748	72%	0.72	S	S	*	*	S	Bend	trans	-108.7	63.7	173.7	62.9	0	0	0	0	112.1
58	S	36.8	Very low	38.1	Very low	110 Å²	110	134 Å²	134	77%	0.769	72%	0.724	S	S	*	*			trans	-166.4	91.8	164.5	59.2	0	0	0	0	109.9
59	S	35.9	Very low	37.9	Very low	121 Å²	121	131.6 Å²	131.6	85%	0.846	73%	0.728	S	S	*	*			trans	-123.6	92.9	173.1	57.2	0	0	0	0	109.9
60	S	42.7	Very low	37.8	Very low	109 Å²	109	137.4 Å²	137.4	76%	0.762	74%	0.743	S	S	*	*			trans	-161	116.1	150.1	68.9	0	0	0	0	111.2
61	S	38.3	Very low	37.9	Very low	104 Å²	104	133.9 Å²	133.9	73%	0.727	75%	0.747	S	S	*	*			trans	6.4	111.6	153.9	53.6	0	0	0	0	120.3
62	N	39.7	Very low	38.3	Very low	162 Å²	162	130.7 Å²	130.7	87%	0.866	75%	0.75	S	S	*	*				168.2	135.6	119.6	-87.2	-18.8	0	0	0	111.7
63	K	36	Very low	39	Very low	204 Å²	204	132.7 Å²	132.7	89%	0.887	77%	0.769	S	S	*	*			trans	-82.7	172	177.6	-71.2	177.4	174.5	175.9	0	111.3
64	P	36.2	Very low	40.1	Very low	123 Å²	123	128.7 Å²	128.7	80%	0.799	76%	0.762	S	S	*	*				-127.8	132.5	-50.9	34.4	-18	0	0	0	110.9
65	S	35.1	Very low	41.7	Very low	116 Å²	116	124.8 Å²	124.8	81%	0.811	74%	0.744	S	S	*	*	S	Bend	trans	-132.6	144.4	161	62.2	0	0	0	0	108.6	L67	S65-L67 PolarHBondContact O-N 3.17Å; S65-L67 VanDerWaalsContact O-N 3.09Å
66	K	37.9	Very low	43.8	Very low	209 Å²	209	123.1 Å²	123.1	91%	0.909	73%	0.734	S	S	*	*			trans	-41.1	114.7	-173.6	-72.3	175.3	175	176.6	0	111.4
67	L	31	Very low	46.4	Very low	160 Å²	160	114.7 Å²	114.7	84%	0.838	70%	0.698	S	S	*	*			trans	-59.5	127.5	171.9	-91.9	134.5	0	0	0	109.1	S65	S65-L67 PolarHBondContact O-N 3.17Å; S65-L67 VanDerWaalsContact O-N 3.09Å
68	P	32.5	Very low	49.2	Very low	112 Å²	112	114.5 Å²	114.5	73%	0.727	69%	0.694	S	S	*	*			trans	-64.4	143.3	171.2	28.6	-31.9	0	0	0	108.4	K70	P68-K70 PolarHBondContact O-N 2.98Å; P68-K70 VanDerWaalsContact O-N 3.16Å
69	S	35.4	Very low	52	Low	113 Å²	113	113 Å²	113	79%	0.79	67%	0.672	S	S	*	*			trans	-45	123.4	175.7	51.9	0	0	0	0	110	G71	S69-G71 VanDerWaalsContact C-N 3.35Å; S69-G71 PolarHBondContact O-N 2.76Å
70	K	39.6	Very low	54.8	Low	175 Å²	175	107.8 Å²	107.8	76%	0.761	64%	0.635	S	S	*	*			trans	-54.4	100.4	170	-77.9	-178.6	174.4	179.8	0	108	P68 A72	P68-K70 PolarHBondContact O-N 2.98Å; P68-K70 VanDerWaalsContact O-N 3.16Å; K70-A72 PolarHBondContact O-N 2.64Å
71	G	36.6	Very low	57.2	Low	67 Å²	67	104.8 Å²	104.8	69%	0.691	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-57.8	122.1	171	0	0	0	0	0	107.7	S69 A73	S69-G71 VanDerWaalsContact C-N 3.35Å; S69-G71 PolarHBondContact O-N 2.76Å; G71-A73 PolarHBondContact O-N 2.85Å
72	A	49.9	Very low	59.6	Low	91 Å²	91	106 Å²	106	75%	0.752	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-56.2	117.2	168.8	0	0	0	0	0	106.6	K70 I74	K70-A72 PolarHBondContact O-N 2.64Å; A72-I74 PolarHBondContact O-N 2.79Å; A72-I74 VanDerWaalsContact O-N 3.11Å
73	A	55.5	Low	61.8	Low	91 Å²	91	100.4 Å²	100.4	75%	0.752	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-52.1	123.2	175.4	0	0	0	0	0	107.6	G71 V75	G71-A73 PolarHBondContact O-N 2.85Å; A73-V75 PolarHBondContact O-N 3.24Å
74	I	63.4	Low	63.5	Low	124 Å²	124	96.9 Å²	96.9	64%	0.636	59%	0.591	S	S	*	*			trans	-67.9	107.8	-178	-53.7	174.7	0	0	0	106.4	A72 Q76	A72-I74 PolarHBondContact O-N 2.79Å; A72-I74 VanDerWaalsContact O-N 3.11Å; I74-Q76 HydrophobicContact CB-CG 4.38Å; I74-Q76 HydrophobicContact CG2-CB 4.17Å; I74-Q76 HydrophobicContact CG2-CG 3.64Å; I74-Q76 PolarHBondContact O-N 3.13Å
75	V	75.2	Confident	65.4	Low	42 Å²	42	94.9 Å²	94.9	26%	0.255	57%	0.573	S	S	.	*			trans	-74.7	94.3	173.9	-178.1	0	0	0	0	107	A73 L110 E113	A73-V75 PolarHBondContact O-N 3.24Å; V75-L110 HydrophobicContact CG1-CD2 3.88Å; V75-E113 HydrophobicContact CB-CB 4.29Å; V75-E113 HydrophobicContact CG1-CB 3.3Å; V75-E113 HydrophobicContact CG1-CG 4.16Å; V75-E113 HydrophobicContact CG2-CB 4.39Å
76	Q	87.6	Confident	67.9	Low	69 Å²	69	92 Å²	92	32%	0.322	56%	0.562	S	S	.	*			trans	-155.9	153.8	176	67.4	-173.9	-2.5	0	0	110.8	I74	I74-Q76 HydrophobicContact CB-CG 4.38Å; I74-Q76 HydrophobicContact CG2-CB 4.17Å; I74-Q76 HydrophobicContact CG2-CG 3.64Å; I74-Q76 PolarHBondContact O-N 3.13Å
77	S	92.6	Very high	70.5	Confident	0 Å²	0	82.5 Å²	82.5	0%	0	52%	0.522	C	S	.	.			trans	-63.1	142.5	168.6	178.6	0	0	0	0	110.7	Y79 C80 H99	S77-Y79 PolarHBondContact O-N 2.98Å; S77-Y79 VanDerWaalsContact O-N 3.13Å; S77-Y79 PolarHBondContact OG-N 2.69Å; S77-C80 WeakPolarHBondContact O-CB 3.48Å; S77-C80 PolarHBondContact O-N 2.93Å; S77-H99 WeakPolarHBondContact CB-ND1 3.3Å; S77-H99 PolarHBondContact OG-ND1 3.24Å; S77-H99 VanDerWaalsContact OG-ND1 3.16Å
78	P	94.3	Very high	73.6	Confident	103 Å²	103	75.6 Å²	75.6	67%	0.669	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-11.7	175.2	29.3	-35.5	0	0	0	113.2	C80	P78-C80 VanDerWaalsContact C-N 3.35Å
79	Y	95.8	Very high	76.6	Confident	77 Å²	77	71.7 Å²	71.7	30%	0.302	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-4.6	175	-60.1	-74.8	0	0	0	113.2	S77 D95 K98 H99 V102	S77-Y79 PolarHBondContact O-N 2.98Å; S77-Y79 VanDerWaalsContact O-N 3.13Å; S77-Y79 PolarHBondContact OG-N 2.69Å; Y79-D95 HydrophobicContact CD1-CB 4Å; Y79-D95 HydrophobicContact CG-CB 4.45Å; Y79-K98 HydrophobicContact CD1-CB 4.15Å; Y79-K98 HydrophobicContact CD1-CD 4.37Å; Y79-K98 HydrophobicContact CD2-CB 3.96Å; Y79-K98 HydrophobicContact CE1-CB 3.69Å; Y79-K98 HydrophobicContact CE1-CD 3.52Å; Y79-K98 HydrophobicContact CE1-CG 4.29Å; Y79-K98 HydrophobicContact CE2-CB 3.46Å; Y79-K98 VanDerWaalsContact CE2-CB 3.46Å; Y79-K98 WeakPolarHBondContact CE2-O 3.31Å; Y79-K98 HydrophobicContact CG-CB 4.28Å; Y79-H99 HydrophobicContact CD2-CB 4.42Å; Y79-H99 HydrophobicContact CG-CB 4.48Å; Y79-V102 HydrophobicContact CD2-CG2 4.25Å; Y79-V102 HydrophobicContact CE2-CG2 3.75Å
80	C	95.4	Very high	79.5	Confident	13 Å²	13	67.1 Å²	67.1	9%	0.088	43%	0.426	C	S	.	.	B	Isolated β-bridge	trans	-72.2	130.6	171.9	-63	0	0	0	0	110	S77 P78 P90	S77-C80 WeakPolarHBondContact O-CB 3.48Å; S77-C80 PolarHBondContact O-N 2.93Å; P78-C80 VanDerWaalsContact C-N 3.35Å; C80-P90 CarbonylContact C-O 3.55Å; C80-P90 WeakPolarHBondContact CA-O 3.36Å
81	L	94.1	Very high	82.3	Confident	45 Å²	45	59 Å²	59	24%	0.236	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-68.5	150.5	172.1	-59.9	178.3	0	0	0	110.1	S83 P90 R92 V334	L81-S83 PolarHBondContact O-N 3.21Å; L81-P90 HydrophobicContact CB-CB 4.31Å; L81-P90 HydrophobicContact CB-CG 4.1Å; L81-P90 HydrophobicContact CD1-CB 4.4Å; L81-P90 PolarHBondContact N-O 3.14Å; L81-R92 HydrophobicContact CD1-CG 4.17Å; L81-R92 HydrophobicContact CD2-CG 4.46Å; L81-V334 HydrophobicContact CD1-CG1 4.4Å; L81-V334 HydrophobicContact CD1-CG2 3.85Å
82	P	88.7	Confident	85.2	Confident	129 Å²	129	60.5 Å²	60.5	84%	0.838	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-56.7	131.5	174.9	-23.6	33.7	0	0	0	111.4
83	S	84.9	Confident	87.3	Confident	46 Å²	46	56.9 Å²	56.9	32%	0.322	34%	0.343	S	S	.	.			trans	-121.2	138.7	172.6	-176.9	0	0	0	0	110.2	L81 N85 S88	L81-S83 PolarHBondContact O-N 3.21Å; S83-N85 PolarHBondContact O-N 3.14Å; S83-N85 PolarHBondContact OG-O 3.24Å; S83-N85 PolarHBondContact OG-OD1 3.21Å; S83-S88 WeakPolarHBondContact CB-O 3.36Å; S83-S88 WeakPolarHBondContact OG-CB 3.24Å; S83-S88 PolarHBondContact OG-OG 2.86Å
84	S	72.4	Confident	89.2	Confident	130 Å²	130	56.7 Å²	56.7	91%	0.909	33%	0.332	S	S	*	.	S	Bend	trans	-76.3	-11.6	-177.9	55.8	0	0	0	0	113.3
85	N	76.4	Confident	90.8	Very high	80 Å²	80	51.6 Å²	51.6	43%	0.428	31%	0.306	S	S	.	.	S	Bend	trans	-132.4	154.6	-178	62	21.3	0	0	0	111	S83 S87	S83-N85 PolarHBondContact O-N 3.14Å; S83-N85 PolarHBondContact OG-O 3.24Å; S83-N85 PolarHBondContact OG-OD1 3.21Å; N85-S87 PolarHBondContact ND2-OG 3.31Å; N85-S87 PolarHBondContact O-N 3.08Å; N85-S87 PolarHBondContact OD1-OG 2.96Å
86	G	86.3	Confident	91.9	Very high	56 Å²	56	49.6 Å²	49.6	58%	0.577	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-3.5	179.6	0	0	0	0	0	114.2	R89 F338	G86-R89 PolarHBondContact O-NH1 2.84Å; G86-R89 PolarHBondContact O-NH2 3.23Å; G86-F338 WeakPolarHBondContact O-CE1 3.25Å
87	S	93.1	Very high	92.4	Very high	9 Å²	9	48.5 Å²	48.5	6%	0.063	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-14	-171.4	68.4	0	0	0	0	115.2	N85 F338 E339 Y342	N85-S87 PolarHBondContact ND2-OG 3.31Å; N85-S87 PolarHBondContact O-N 3.08Å; N85-S87 PolarHBondContact OD1-OG 2.96Å; S87-F338 WeakPolarHBondContact O-CD1 3.49Å; S87-F338 VanDerWaalsContact O-CE1 3.28Å; S87-F338 WeakPolarHBondContact O-CE1 3.36Å; S87-E339 WeakPolarHBondContact CB-OE2 3.42Å; S87-E339 WeakPolarHBondContact O-CA 3.45Å; S87-E339 PolarHBondContact OG-OE2 3.36Å; S87-Y342 VanDerWaalsContact CB-CE1 3.42Å
88	S	95.5	Very high	92.6	Very high	16 Å²	16	53.2 Å²	53.2	11%	0.112	32%	0.317	C	S	.	.			trans	-125.8	142.2	-172.3	153.5	0	0	0	0	113	S83 P90 D336 E339	S83-S88 WeakPolarHBondContact CB-O 3.36Å; S83-S88 WeakPolarHBondContact OG-CB 3.24Å; S83-S88 PolarHBondContact OG-OG 2.86Å; S88-P90 WeakPolarHBondContact OG-CD 3.44Å; S88-D336 WeakPolarHBondContact CA-OD2 3.27Å; S88-D336 WeakPolarHBondContact CB-OD2 3.46Å; S88-D336 PolarHBondContact OG-OD2 3.38Å; S88-E339 WeakPolarHBondContact CB-OE2 3.42Å; S88-E339 PolarHBondContact N-OE2 2.87Å
89	R	95.9	Very high	92.8	Very high	29 Å²	29	48.5 Å²	48.5	11%	0.109	29%	0.286	C	S	.	.			trans	-137.9	70.8	177.6	-59.8	-65.5	-178.8	-74.5	-13.2	109.3	G86 D336 F338	G86-R89 PolarHBondContact O-NH1 2.84Å; G86-R89 PolarHBondContact O-NH2 3.23Å; R89-D336 PolarHBondContact N-OD1 3.39Å; R89-D336 VanDerWaalsContact N-OD1 3.12Å; R89-D336 PolarHBondContact N-OD2 3.28Å; R89-F338 HydrophobicContact CB-CB 3.82Å; R89-F338 HydrophobicContact CB-CD1 4.5Å; R89-F338 HydrophobicContact CB-CG 4.32Å; R89-F338 HydrophobicContact CG-CB 3.87Å; R89-F338 HydrophobicContact CG-CD1 3.78Å; R89-F338 HydrophobicContact CG-CE1 4.5Å; R89-F338 HydrophobicContact CG-CG 3.8Å
90	P	96.7	Very high	92.8	Very high	18 Å²	18	45.2 Å²	45.2	12%	0.117	27%	0.273	C	S	.	.			trans	-74.2	139.7	-171.9	9.3	2.3	0	0	0	111.4	C80 L81 S88 V334 D336	C80-P90 CarbonylContact C-O 3.55Å; C80-P90 WeakPolarHBondContact CA-O 3.36Å; L81-P90 HydrophobicContact CB-CB 4.31Å; L81-P90 HydrophobicContact CB-CG 4.1Å; L81-P90 HydrophobicContact CD1-CB 4.4Å; L81-P90 PolarHBondContact N-O 3.14Å; S88-P90 WeakPolarHBondContact OG-CD 3.44Å; P90-V334 HydrophobicContact CB-CG1 3.34Å; P90-D336 HydrophobicContact CB-CB 4.39Å
91	V	97.5	Very high	92.9	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.018	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	134.8	178.6	-176.8	0	0	0	0	109.2	F96 H99 I335	V91-F96 HydrophobicContact CB-CD2 4.34Å; V91-F96 HydrophobicContact CG1-CD2 4.09Å; V91-H99 HydrophobicContact CG1-CB 3.73Å; V91-I335 PolarHBondContact N-O 2.74Å; V91-I335 PolarHBondContact O-N 3.14Å
92	R	96.9	Very high	93	Very high	99 Å²	99	50.5 Å²	50.5	37%	0.374	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	144.7	174.1	-70.4	-173.1	-64.2	-106.3	-1.9	111.2	L81 V94 D95 F96 D333	L81-R92 HydrophobicContact CD1-CG 4.17Å; L81-R92 HydrophobicContact CD2-CG 4.46Å; R92-V94 HydrophobicContact CB-CG2 3.99Å; R92-V94 PolarHBondContact O-N 3.3Å; R92-D95 HydrophobicContact CB-CB 4.48Å; R92-D95 IonicContact CZ-OD2 3.99Å; R92-D95 IonicContact NE-OD2 3.58Å; R92-D95 PolarHBondContact NE-OD2 2.88Å; R92-D95 IonicContact NH2-OD2 3.52Å; R92-D95 PolarHBondContact NH2-OD2 2.92Å; R92-D95 PolarHBondContact O-N 3.47Å; R92-F96 PolarHBondContact O-N 3.41Å; R92-F96 VanDerWaalsContact O-N 3.13Å; R92-D333 CarbonylContact C-O 3.44Å; R92-D333 VanDerWaalsContact CA-O 3.23Å; R92-D333 WeakPolarHBondContact CA-O 3.16Å; R92-D333 WeakPolarHBondContact CD-OD2 3.45Å; R92-D333 WeakPolarHBondContact CG-OD2 2.98Å
93	K	96	Very high	93.4	Very high	16 Å²	16	44.4 Å²	44.4	7%	0.07	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-52.7	-45.2	177.6	-70.5	173.1	-177.4	178.8	0	111.3	D95 F96 H327 V328 S330 D332 D333 I335	K93-D95 PolarHBondContact O-N 3.07Å; K93-F96 VanDerWaalsContact O-CB 3.25Å; K93-F96 WeakPolarHBondContact O-CB 3.39Å; K93-F96 PolarHBondContact O-N 2.74Å; K93-F96 VanDerWaalsContact O-N 3.14Å; K93-H327 WeakPolarHBondContact CE-O 3.37Å; K93-H327 PolarHBondContact NZ-O 2.72Å; K93-V328 PolarHBondContact NZ-O 2.72Å; K93-S330 PolarHBondContact NZ-O 3.38Å; K93-D332 WeakPolarHBondContact CE-O 3.4Å; K93-D332 PolarHBondContact NZ-O 2.99Å; K93-D333 WeakPolarHBondContact CG-O 3.5Å; K93-D333 PolarHBondContact N-O 2.74Å; K93-I335 HydrophobicContact CG-CD1 4.45Å; K93-I335 HydrophobicContact CG-CG1 3.92Å
94	V	95.2	Very high	93.9	Very high	87 Å²	87	43.7 Å²	43.7	53%	0.527	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-64.6	-22.6	179.9	-60.6	0	0	0	0	114.5	R92	R92-V94 HydrophobicContact CB-CG2 3.99Å; R92-V94 PolarHBondContact O-N 3.3Å
95	D	97.2	Very high	95	Very high	16 Å²	16	39.5 Å²	39.5	9%	0.086	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-101.6	-3.2	179.6	-68.5	-52.3	0	0	0	112.2	Y79 R92 K93 A97 K98 H99	Y79-D95 HydrophobicContact CD1-CB 4Å; Y79-D95 HydrophobicContact CG-CB 4.45Å; R92-D95 HydrophobicContact CB-CB 4.48Å; R92-D95 IonicContact CZ-OD2 3.99Å; R92-D95 IonicContact NE-OD2 3.58Å; R92-D95 PolarHBondContact NE-OD2 2.88Å; R92-D95 IonicContact NH2-OD2 3.52Å; R92-D95 PolarHBondContact NH2-OD2 2.92Å; R92-D95 PolarHBondContact O-N 3.47Å; K93-D95 PolarHBondContact O-N 3.07Å; D95-A97 VanDerWaalsContact C-N 3.34Å; D95-A97 PolarHBondContact O-N 2.87Å; D95-K98 PolarHBondContact O-N 3.07Å; D95-K98 VanDerWaalsContact O-N 3.08Å; D95-K98 IonicContact OD1-NZ 3.17Å; D95-H99 WeakPolarHBondContact O-CB 3.5Å; D95-H99 PolarHBondContact O-N 2.63Å
96	F	97.4	Very high	95.7	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	25%	0.245	C	C	.	.	H	α-helix	trans	-62.3	-38.1	-171.7	-160.2	-92.9	0	0	0	112.8	V91 R92 K93 K98 H99 M100 I335 V337 H362 L365 L366 I369	V91-F96 HydrophobicContact CB-CD2 4.34Å; V91-F96 HydrophobicContact CG1-CD2 4.09Å; R92-F96 PolarHBondContact O-N 3.41Å; R92-F96 VanDerWaalsContact O-N 3.13Å; K93-F96 VanDerWaalsContact O-CB 3.25Å; K93-F96 WeakPolarHBondContact O-CB 3.39Å; K93-F96 PolarHBondContact O-N 2.74Å; K93-F96 VanDerWaalsContact O-N 3.14Å; F96-K98 PolarHBondContact O-N 3.07Å; F96-H99 WeakPolarHBondContact O-CB 3.49Å; F96-H99 PolarHBondContact O-N 2.78Å; F96-M100 HydrophobicContact CD1-CG 4.03Å; F96-M100 HydrophobicContact CE1-CG 3.87Å; F96-M100 HydrophobicContact CE1-SD 4.32Å; F96-M100 WeakPolarHBondContact O-CB 3.34Å; F96-M100 WeakPolarHBondContact O-CG 3.35Å; F96-M100 PolarHBondContact O-N 2.85Å; F96-I335 HydrophobicContact CE2-CG2 4.2Å; F96-V337 HydrophobicContact CE2-CG2 4.5Å; F96-H362 WeakPolarHBondContact CE1-O 3.43Å; F96-H362 HydrophobicContact CZ-CB 4.33Å; F96-L365 HydrophobicContact CE1-CB 3.74Å; F96-L365 HydrophobicContact CZ-CB 3.69Å; F96-L365 HydrophobicContact CZ-CD1 4.01Å; F96-L366 HydrophobicContact CD1-CB 4.14Å; F96-L366 HydrophobicContact CD1-CD1 4.26Å; F96-L366 HydrophobicContact CE1-CB 4.12Å; F96-I369 HydrophobicContact CB-CD1 3.78Å; F96-I369 HydrophobicContact CD1-CD1 3.77Å; F96-I369 HydrophobicContact CD2-CD1 4.13Å; F96-I369 HydrophobicContact CE1-CD1 4.42Å; F96-I369 HydrophobicContact CG-CD1 3.61Å
97	A	97.3	Very high	96.1	Very high	45 Å²	45	44.7 Å²	44.7	37%	0.372	25%	0.251	S	S	.	.	H	α-helix	trans	-62	-42.1	174.7	0	0	0	0	0	112.4	D95 M100 M101 L366	D95-A97 VanDerWaalsContact C-N 3.34Å; D95-A97 PolarHBondContact O-N 2.87Å; A97-M100 WeakPolarHBondContact O-CB 3.43Å; A97-M100 PolarHBondContact O-N 3.21Å; A97-M101 WeakPolarHBondContact O-CG 3.47Å; A97-M101 PolarHBondContact O-N 2.96Å; A97-L366 HydrophobicContact CB-CD1 3.83Å
98	K	97.7	Very high	96.1	Very high	99 Å²	99	44.8 Å²	44.8	43%	0.43	25%	0.251	S	S	.	.	H	α-helix	trans	-73	-36.7	178.3	-55.3	175.1	-170.8	155.8	0	111.7	Y79 D95 F96 M100 M101 V102	Y79-K98 HydrophobicContact CD1-CB 4.15Å; Y79-K98 HydrophobicContact CD1-CD 4.37Å; Y79-K98 HydrophobicContact CD2-CB 3.96Å; Y79-K98 HydrophobicContact CE1-CB 3.69Å; Y79-K98 HydrophobicContact CE1-CD 3.52Å; Y79-K98 HydrophobicContact CE1-CG 4.29Å; Y79-K98 HydrophobicContact CE2-CB 3.46Å; Y79-K98 VanDerWaalsContact CE2-CB 3.46Å; Y79-K98 WeakPolarHBondContact CE2-O 3.31Å; Y79-K98 HydrophobicContact CG-CB 4.28Å; D95-K98 PolarHBondContact O-N 3.07Å; D95-K98 VanDerWaalsContact O-N 3.08Å; D95-K98 IonicContact OD1-NZ 3.17Å; F96-K98 PolarHBondContact O-N 3.07Å; K98-M100 VanDerWaalsContact C-N 3.33Å; K98-M101 PolarHBondContact O-N 2.97Å; K98-V102 PolarHBondContact O-N 2.69Å; K98-V102 VanDerWaalsContact O-N 3.1Å
99	H	97.7	Very high	96.1	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.019	27%	0.266	C	S	.	.	H	α-helix	trans	-55.8	-49.9	170.6	171.9	81.2	0	0	0	110.7	S77 Y79 V91 D95 F96 M101 V102 M103	S77-H99 WeakPolarHBondContact CB-ND1 3.3Å; S77-H99 PolarHBondContact OG-ND1 3.24Å; S77-H99 VanDerWaalsContact OG-ND1 3.16Å; Y79-H99 HydrophobicContact CD2-CB 4.42Å; Y79-H99 HydrophobicContact CG-CB 4.48Å; V91-H99 HydrophobicContact CG1-CB 3.73Å; D95-H99 WeakPolarHBondContact O-CB 3.5Å; D95-H99 PolarHBondContact O-N 2.63Å; F96-H99 WeakPolarHBondContact O-CB 3.49Å; F96-H99 PolarHBondContact O-N 2.78Å; H99-M101 PolarHBondContact O-N 2.97Å; H99-V102 PolarHBondContact O-N 3.26Å; H99-M103 VanDerWaalsContact CE1-CG 3.44Å; H99-M103 WeakPolarHBondContact CE1-CG 3.46Å; H99-M103 VanDerWaalsContact O-CG 3.27Å; H99-M103 WeakPolarHBondContact O-CG 3.37Å; H99-M103 PolarHBondContact O-N 3.11Å
100	M	97.2	Very high	96.1	Very high	9 Å²	9	49 Å²	49	4%	0.044	27%	0.269	C	S	.	.	H	α-helix	trans	-56.1	-48.3	175.8	-79.5	-64.7	-69.6	0	0	112.8	F96 A97 K98 V102 M103 S104 F111 H362 H363 L366	F96-M100 HydrophobicContact CD1-CG 4.03Å; F96-M100 HydrophobicContact CE1-CG 3.87Å; F96-M100 HydrophobicContact CE1-SD 4.32Å; F96-M100 WeakPolarHBondContact O-CB 3.34Å; F96-M100 WeakPolarHBondContact O-CG 3.35Å; F96-M100 PolarHBondContact O-N 2.85Å; A97-M100 WeakPolarHBondContact O-CB 3.43Å; A97-M100 PolarHBondContact O-N 3.21Å; K98-M100 VanDerWaalsContact C-N 3.33Å; M100-V102 VanDerWaalsContact C-N 3.27Å; M100-V102 PolarHBondContact O-N 3.41Å; M100-M103 PolarHBondContact O-N 2.83Å; M100-S104 WeakPolarHBondContact O-CB 3.48Å; M100-S104 PolarHBondContact O-N 3.05Å; M100-F111 HydrophobicContact CE-CZ 4.43Å; M100-F111 HydrophobicContact SD-CE2 4.41Å; M100-F111 HydrophobicContact SD-CZ 3.78Å; M100-H362 HydrophobicContact CE-CB 4.02Å; M100-H362 HydrophobicContact SD-CB 3.34Å; M100-H362 WeakPolarHBondContact SD-CB 3.2Å; M100-H363 WeakPolarHBondContact CE-ND1 3.18Å; M100-L366 HydrophobicContact CB-CD2 4.33Å; M100-L366 HydrophobicContact CG-CB 4.36Å; M100-L366 HydrophobicContact CG-CD2 4.16Å
101	M	96.7	Very high	96.2	Very high	126 Å²	126	48.1 Å²	48.1	62%	0.621	26%	0.264	S	S	*	.	H	α-helix	trans	-57.4	-40.9	178	-71.4	177.7	68.5	0	0	112.5	I19 A97 K98 H99 A105	I19-M101 HydrophobicContact CD1-SD 4.37Å; A97-M101 WeakPolarHBondContact O-CG 3.47Å; A97-M101 PolarHBondContact O-N 2.96Å; K98-M101 PolarHBondContact O-N 2.97Å; H99-M101 PolarHBondContact O-N 2.97Å; M101-A105 PolarHBondContact O-N 3.13Å
102	V	96.8	Very high	96.1	Very high	43 Å²	43	49.5 Å²	49.5	26%	0.261	27%	0.273	S	S	.	.	H	α-helix	trans	-72.7	-43.5	178.3	172.6	0	0	0	0	111.4	Y79 K98 H99 M100 S104 A105 L110	Y79-V102 HydrophobicContact CD2-CG2 4.25Å; Y79-V102 HydrophobicContact CE2-CG2 3.75Å; K98-V102 PolarHBondContact O-N 2.69Å; K98-V102 VanDerWaalsContact O-N 3.1Å; H99-V102 PolarHBondContact O-N 3.26Å; M100-V102 VanDerWaalsContact C-N 3.27Å; M100-V102 PolarHBondContact O-N 3.41Å; V102-S104 VanDerWaalsContact C-N 3.34Å; V102-S104 PolarHBondContact O-N 3.45Å; V102-A105 WeakPolarHBondContact O-CB 3.45Å; V102-A105 PolarHBondContact O-N 2.83Å; V102-L110 HydrophobicContact CG1-CD1 3.61Å
103	M	97.3	Very high	96.1	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-66	-36.2	-177.1	-68.5	-64.1	-76.2	0	0	112.7	H99 M100 A105 L110 F111 E114	H99-M103 VanDerWaalsContact CE1-CG 3.44Å; H99-M103 WeakPolarHBondContact CE1-CG 3.46Å; H99-M103 VanDerWaalsContact O-CG 3.27Å; H99-M103 WeakPolarHBondContact O-CG 3.37Å; H99-M103 PolarHBondContact O-N 3.11Å; M100-M103 PolarHBondContact O-N 2.83Å; M103-A105 VanDerWaalsContact C-N 3.34Å; M103-L110 HydrophobicContact CE-CB 4.19Å; M103-L110 HydrophobicContact SD-CB 3.67Å; M103-L110 HydrophobicContact SD-CD1 4.24Å; M103-F111 HydrophobicContact CB-CD1 4.08Å; M103-F111 HydrophobicContact CB-CD2 3.7Å; M103-F111 HydrophobicContact CB-CE1 3.77Å; M103-F111 HydrophobicContact CB-CE2 3.38Å; M103-F111 HydrophobicContact CB-CG 4.03Å; M103-F111 HydrophobicContact CB-CZ 3.41Å; M103-F111 VanDerWaalsContact CB-CZ 3.41Å; M103-F111 HydrophobicContact CE-CD1 3.68Å; M103-F111 HydrophobicContact CE-CE1 3.98Å; M103-F111 HydrophobicContact CE-CG 4.25Å; M103-F111 HydrophobicContact CG-CE1 4.23Å; M103-F111 HydrophobicContact CG-CZ 4.21Å; M103-F111 WeakPolarHBondContact O-CD2 3.3Å; M103-E114 HydrophobicContact CE-CB 4.12Å
104	S	95.5	Very high	96.1	Very high	30 Å²	30	46.9 Å²	46.9	21%	0.21	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-6.5	178	-80.1	0	0	0	0	115.1	M100 V102 D108 F111	M100-S104 WeakPolarHBondContact O-CB 3.48Å; M100-S104 PolarHBondContact O-N 3.05Å; V102-S104 VanDerWaalsContact C-N 3.34Å; V102-S104 PolarHBondContact O-N 3.45Å; S104-D108 VanDerWaalsContact CA-OD1 3.22Å; S104-D108 WeakPolarHBondContact CA-OD1 3.27Å; S104-D108 WeakPolarHBondContact CB-OD1 3.49Å; S104-D108 PolarHBondContact O-N 3.47Å; S104-D108 PolarHBondContact OG-OD1 3.37Å; S104-F111 WeakPolarHBondContact OG-CE2 3.35Å
105	A	93.8	Very high	96.2	Very high	42 Å²	42	43.2 Å²	43.2	35%	0.347	24%	0.243	S	C	.	.	H	α-helix	trans	-60.8	154.4	177.5	0	0	0	0	0	111.7	M101 V102 M103 S107 D108 F109	M101-A105 PolarHBondContact O-N 3.13Å; V102-A105 WeakPolarHBondContact O-CB 3.45Å; V102-A105 PolarHBondContact O-N 2.83Å; M103-A105 VanDerWaalsContact C-N 3.34Å; A105-S107 VanDerWaalsContact C-N 3.28Å; A105-S107 PolarHBondContact O-N 3.46Å; A105-D108 PolarHBondContact O-N 3.26Å; A105-F109 PolarHBondContact O-N 3.09Å
106	D	92.6	Very high	96.2	Very high	145 Å²	145	46 Å²	46	78%	0.775	26%	0.255	S	S	*	.	H	α-helix	trans	54.3	39	176.1	-59.3	-42.7	0	0	0	114.8	F109	D106-F109 HydrophobicContact CB-CB 4.19Å
107	S	92.9	Very high	96.2	Very high	100 Å²	100	49.8 Å²	49.8	70%	0.699	28%	0.275	S	S	*	.	H	α-helix	trans	65.1	53.4	-176.8	-44.3	0	0	0	0	112.5	A105 F109	A105-S107 VanDerWaalsContact C-N 3.28Å; A105-S107 PolarHBondContact O-N 3.46Å; S107-F109 VanDerWaalsContact C-N 3.26Å; S107-F109 PolarHBondContact O-N 2.88Å
108	D	94.2	Very high	96.2	Very high	12 Å²	12	47.7 Å²	47.7	6%	0.064	26%	0.257	C	S	.	.	H	α-helix	trans	61.8	27.5	176.9	-58	-47.7	0	0	0	113.8	S104 A105 L110 F111 S112	S104-D108 VanDerWaalsContact CA-OD1 3.22Å; S104-D108 WeakPolarHBondContact CA-OD1 3.27Å; S104-D108 WeakPolarHBondContact CB-OD1 3.49Å; S104-D108 PolarHBondContact O-N 3.47Å; S104-D108 PolarHBondContact OG-OD1 3.37Å; A105-D108 PolarHBondContact O-N 3.26Å; D108-L110 VanDerWaalsContact C-N 3.33Å; D108-L110 PolarHBondContact O-N 3.19Å; D108-F111 HydrophobicContact CB-CB 4.09Å; D108-F111 HydrophobicContact CB-CD2 4.19Å; D108-F111 WeakPolarHBondContact O-CA 3.27Å; D108-F111 WeakPolarHBondContact O-CB 3.22Å; D108-F111 PolarHBondContact O-N 3.36Å; D108-S112 PolarHBondContact O-N 2.92Å; D108-S112 PolarHBondContact O-OG 3.16Å
109	F	95.6	Very high	96.1	Very high	97 Å²	97	46.8 Å²	46.8	43%	0.425	25%	0.254	S	S	.	.	H	α-helix	trans	-55	-44.9	-173.6	171.5	-103	0	0	0	113.2	A105 D106 S107 S112 E113	A105-F109 PolarHBondContact O-N 3.09Å; D106-F109 HydrophobicContact CB-CB 4.19Å; S107-F109 VanDerWaalsContact C-N 3.26Å; S107-F109 PolarHBondContact O-N 2.88Å; F109-S112 PolarHBondContact O-N 3.32Å; F109-E113 HydrophobicContact CD2-CG 4.36Å; F109-E113 HydrophobicContact CE1-CG 4.21Å; F109-E113 HydrophobicContact CE2-CG 3.82Å; F109-E113 HydrophobicContact CZ-CG 3.73Å; F109-E113 WeakPolarHBondContact O-CG 3.48Å; F109-E113 PolarHBondContact O-N 3.39Å
110	L	96.6	Very high	96.1	Very high	35 Å²	35	51 Å²	51	18%	0.183	28%	0.281	C	S	.	.	H	α-helix	trans	-72.2	-34.5	179.4	-67.7	179.2	0	0	0	111.9	V75 V102 M103 D108 E113 E114	V75-L110 HydrophobicContact CG1-CD2 3.88Å; V102-L110 HydrophobicContact CG1-CD1 3.61Å; M103-L110 HydrophobicContact CE-CB 4.19Å; M103-L110 HydrophobicContact SD-CB 3.67Å; M103-L110 HydrophobicContact SD-CD1 4.24Å; D108-L110 VanDerWaalsContact C-N 3.33Å; D108-L110 PolarHBondContact O-N 3.19Å; L110-E113 PolarHBondContact O-N 3.45Å; L110-E114 VanDerWaalsContact O-CB 3.28Å; L110-E114 WeakPolarHBondContact O-CB 3.33Å; L110-E114 PolarHBondContact O-N 3.1Å
111	F	97.3	Very high	96.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.7	-44.4	170.7	-83.5	-54.2	0	0	0	111.9	M100 M103 S104 D108 E114 F115 Y358 V359 H362	M100-F111 HydrophobicContact CE-CZ 4.43Å; M100-F111 HydrophobicContact SD-CE2 4.41Å; M100-F111 HydrophobicContact SD-CZ 3.78Å; M103-F111 HydrophobicContact CB-CD1 4.08Å; M103-F111 HydrophobicContact CB-CD2 3.7Å; M103-F111 HydrophobicContact CB-CE1 3.77Å; M103-F111 HydrophobicContact CB-CE2 3.38Å; M103-F111 HydrophobicContact CB-CG 4.03Å; M103-F111 HydrophobicContact CB-CZ 3.41Å; M103-F111 VanDerWaalsContact CB-CZ 3.41Å; M103-F111 HydrophobicContact CE-CD1 3.68Å; M103-F111 HydrophobicContact CE-CE1 3.98Å; M103-F111 HydrophobicContact CE-CG 4.25Å; M103-F111 HydrophobicContact CG-CE1 4.23Å; M103-F111 HydrophobicContact CG-CZ 4.21Å; M103-F111 WeakPolarHBondContact O-CD2 3.3Å; S104-F111 WeakPolarHBondContact OG-CE2 3.35Å; D108-F111 HydrophobicContact CB-CB 4.09Å; D108-F111 HydrophobicContact CB-CD2 4.19Å; D108-F111 WeakPolarHBondContact O-CA 3.27Å; D108-F111 WeakPolarHBondContact O-CB 3.22Å; D108-F111 PolarHBondContact O-N 3.36Å; F111-E114 PolarHBondContact O-N 3.48Å; F111-F115 VanDerWaalsContact O-CB 3.28Å; F111-F115 WeakPolarHBondContact O-CB 3.46Å; F111-F115 PolarHBondContact O-N 3.16Å; F111-Y358 HydrophobicContact CD1-CD1 4.23Å; F111-Y358 HydrophobicContact CD1-CE1 4.15Å; F111-V359 HydrophobicContact CB-CG2 3.82Å; F111-V359 HydrophobicContact CD1-CG2 4.09Å; F111-V359 HydrophobicContact CD2-CG1 4.26Å; F111-V359 HydrophobicContact CD2-CG2 3.83Å; F111-V359 HydrophobicContact CE2-CG1 4.15Å; F111-V359 HydrophobicContact CE2-CG2 4.39Å; F111-V359 HydrophobicContact CG-CG2 3.67Å; F111-H362 HydrophobicContact CE1-CB 4.32Å; F111-H362 AromaticContact CE1-CD2 3.68Å; F111-H362 AromaticContact CE1-CE1 3.73Å; F111-H362 AromaticContact CE1-CG 3.67Å; F111-H362 AromaticContact CE1-ND1 3.69Å; F111-H362 AromaticContact CE1-NE2 3.75Å; F111-H362 HydrophobicContact CZ-CB 4.07Å; F111-H362 AromaticContact CZ-CG 3.9Å
112	S	96.9	Very high	96.1	Very high	32 Å²	32	45.6 Å²	45.6	22%	0.224	26%	0.258	C	S	.	.	H	α-helix	trans	-59.6	-51.2	176.9	-53.3	0	0	0	0	110.6	D108 F109 E114 F115 E116 E355	D108-S112 PolarHBondContact O-N 2.92Å; D108-S112 PolarHBondContact O-OG 3.16Å; F109-S112 PolarHBondContact O-N 3.32Å; S112-E114 PolarHBondContact O-N 3.44Å; S112-F115 PolarHBondContact O-N 3.02Å; S112-E116 VanDerWaalsContact O-CG 3.22Å; S112-E116 WeakPolarHBondContact O-CG 3.22Å; S112-E116 PolarHBondContact O-N 3.45Å; S112-E355 WeakPolarHBondContact CA-OE1 3.42Å; S112-E355 WeakPolarHBondContact CB-OE1 3.21Å; S112-E355 PolarHBondContact OG-OE1 3.44Å; S112-E355 PolarHBondContact OG-OE2 2.84Å
113	E	96.3	Very high	96	Very high	58 Å²	58	48.6 Å²	48.6	27%	0.271	27%	0.265	S	S	.	.	H	α-helix	trans	-65	-38.3	-178.6	-69.1	-74.5	116.3	0	0	112.1	R47 V75 F109 L110	R47-E113 IonicContact NH2-OE1 2.74Å; V75-E113 HydrophobicContact CB-CB 4.29Å; V75-E113 HydrophobicContact CG1-CB 3.3Å; V75-E113 HydrophobicContact CG1-CG 4.16Å; V75-E113 HydrophobicContact CG2-CB 4.39Å; F109-E113 HydrophobicContact CD2-CG 4.36Å; F109-E113 HydrophobicContact CE1-CG 4.21Å; F109-E113 HydrophobicContact CE2-CG 3.82Å; F109-E113 HydrophobicContact CZ-CG 3.73Å; F109-E113 WeakPolarHBondContact O-CG 3.48Å; F109-E113 PolarHBondContact O-N 3.39Å; L110-E113 PolarHBondContact O-N 3.45Å
114	E	96.6	Very high	96	Very high	3 Å²	3	55.2 Å²	55.2	1%	0.014	31%	0.305	C	S	.	.	H	α-helix	trans	-65.4	-47.3	174.7	-175.3	176.3	93	0	0	111.6	M103 L110 F111 S112 E116 L117 F338 Y358	M103-E114 HydrophobicContact CE-CB 4.12Å; L110-E114 VanDerWaalsContact O-CB 3.28Å; L110-E114 WeakPolarHBondContact O-CB 3.33Å; L110-E114 PolarHBondContact O-N 3.1Å; F111-E114 PolarHBondContact O-N 3.48Å; S112-E114 PolarHBondContact O-N 3.44Å; E114-E116 VanDerWaalsContact C-N 3.28Å; E114-E116 PolarHBondContact O-N 2.95Å; E114-L117 VanDerWaalsContact O-CB 3.28Å; E114-L117 WeakPolarHBondContact O-CB 3.46Å; E114-L117 PolarHBondContact O-N 3.16Å; E114-F338 HydrophobicContact CG-CD2 3.42Å; E114-F338 VanDerWaalsContact CG-CD2 3.42Å; E114-F338 HydrophobicContact CG-CE2 3.72Å; E114-F338 HydrophobicContact CG-CG 4.36Å; E114-F338 WeakPolarHBondContact O-CE2 3.11Å; E114-Y358 VanDerWaalsContact OE1-CE1 3.31Å; E114-Y358 WeakPolarHBondContact OE1-CE1 2.82Å; E114-Y358 PolarHBondContact OE1-OH 2.77Å
115	F	97.4	Very high	96.1	Very high	10 Å²	10	56.7 Å²	56.7	4%	0.044	31%	0.31	C	S	.	.	H	α-helix	trans	-63.8	-32.3	179.5	-174.1	-105.9	0	0	0	112.6	F111 S112 L117 L118 V352 S354 E355 Y358	F111-F115 VanDerWaalsContact O-CB 3.28Å; F111-F115 WeakPolarHBondContact O-CB 3.46Å; F111-F115 PolarHBondContact O-N 3.16Å; S112-F115 PolarHBondContact O-N 3.02Å; F115-L117 PolarHBondContact O-N 2.88Å; F115-L118 HydrophobicContact CD2-CD1 3.92Å; F115-L118 HydrophobicContact CE2-CD1 4.36Å; F115-L118 WeakPolarHBondContact O-CB 3.22Å; F115-L118 PolarHBondContact O-N 3.39Å; F115-L118 VanDerWaalsContact O-N 3.1Å; F115-V352 HydrophobicContact CE2-CG1 4.44Å; F115-S354 VanDerWaalsContact CZ-C 3.43Å; F115-E355 HydrophobicContact CD1-CB 3.87Å; F115-E355 HydrophobicContact CE1-CB 4.25Å; F115-E355 HydrophobicContact CG-CB 4.33Å; F115-Y358 HydrophobicContact CB-CD1 4.26Å; F115-Y358 HydrophobicContact CD2-CD1 4.08Å; F115-Y358 AromaticContact CD2-CD2 3.97Å; F115-Y358 HydrophobicContact CD2-CD2 3.97Å; F115-Y358 AromaticContact CD2-CG 3.61Å; F115-Y358 HydrophobicContact CD2-CG 3.61Å; F115-Y358 HydrophobicContact CE2-CD2 4.4Å; F115-Y358 HydrophobicContact CE2-CG 4.24Å; F115-Y358 HydrophobicContact CG-CG 4.48Å
116	E	96.9	Very high	96.3	Very high	75 Å²	75	58 Å²	58	35%	0.35	32%	0.318	S	S	.	.	H	α-helix	trans	-59.5	-32.4	172.8	-73.3	-70.2	146.9	0	0	112.4	S112 E114 L118 K119	S112-E116 VanDerWaalsContact O-CG 3.22Å; S112-E116 WeakPolarHBondContact O-CG 3.22Å; S112-E116 PolarHBondContact O-N 3.45Å; E114-E116 VanDerWaalsContact C-N 3.28Å; E114-E116 PolarHBondContact O-N 2.95Å; E116-L118 PolarHBondContact O-N 2.89Å; E116-K119 WeakPolarHBondContact O-CB 3.48Å; E116-K119 PolarHBondContact O-N 3.46Å; E116-K119 WeakPolarHBondContact OE1-CE 3.35Å; E116-K119 IonicContact OE1-NZ 3.63Å; E116-K119 PolarHBondContact OE1-NZ 2.97Å; E116-K119 VanDerWaalsContact OE2-CD 3.28Å; E116-K119 WeakPolarHBondContact OE2-CD 3.33Å; E116-K119 WeakPolarHBondContact OE2-CE 3.43Å; E116-K119 IonicContact OE2-NZ 3.8Å; E116-K119 PolarHBondContact OE2-NZ 3.5Å
117	L	96.1	Very high	96.6	Very high	80 Å²	80	53 Å²	53	42%	0.419	29%	0.29	S	S	.	.	H	α-helix	trans	-66.3	-20.4	177.2	-57.9	175.6	0	0	0	113	E114 F115 P120 F338	E114-L117 VanDerWaalsContact O-CB 3.28Å; E114-L117 WeakPolarHBondContact O-CB 3.46Å; E114-L117 PolarHBondContact O-N 3.16Å; F115-L117 PolarHBondContact O-N 2.88Å; L117-P120 WeakPolarHBondContact O-CD 3.08Å; L117-F338 HydrophobicContact CB-CE2 4.11Å; L117-F338 HydrophobicContact CB-CZ 3.96Å
118	L	97.2	Very high	96.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-14.3	177.4	-66	167.5	0	0	0	113.2	F115 E116 V121 F338 V341 Y342 R345 Y358	F115-L118 HydrophobicContact CD2-CD1 3.92Å; F115-L118 HydrophobicContact CE2-CD1 4.36Å; F115-L118 WeakPolarHBondContact O-CB 3.22Å; F115-L118 PolarHBondContact O-N 3.39Å; F115-L118 VanDerWaalsContact O-N 3.1Å; E116-L118 PolarHBondContact O-N 2.89Å; L118-V121 HydrophobicContact CD2-CG2 4.49Å; L118-V121 WeakPolarHBondContact O-CB 3.34Å; L118-V121 PolarHBondContact O-N 3.26Å; L118-F338 HydrophobicContact CD1-CD2 4.23Å; L118-F338 HydrophobicContact CD1-CE2 4.21Å; L118-F338 HydrophobicContact CD2-CD2 4.09Å; L118-F338 HydrophobicContact CD2-CE1 4.48Å; L118-F338 HydrophobicContact CD2-CE2 3.7Å; L118-F338 HydrophobicContact CD2-CZ 3.9Å; L118-F338 HydrophobicContact CG-CD2 4.1Å; L118-F338 HydrophobicContact CG-CE2 3.61Å; L118-F338 HydrophobicContact CG-CZ 4.2Å; L118-V341 HydrophobicContact CD1-CB 4.17Å; L118-V341 HydrophobicContact CD1-CG1 3.77Å; L118-V341 HydrophobicContact CD2-CG1 4.46Å; L118-Y342 HydrophobicContact CD2-CD2 4.16Å; L118-R345 PolarHBondContact O-NH1 3.31Å; L118-Y358 HydrophobicContact CD1-CD2 4.24Å; L118-Y358 HydrophobicContact CD1-CE2 3.88Å
119	K	96.8	Very high	97	Very high	81 Å²	81	50.9 Å²	50.9	35%	0.352	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-44.3	-178.1	-70.3	-172	178.4	172.1	0	115.4	E116 V121 R123 W350	E116-K119 WeakPolarHBondContact O-CB 3.48Å; E116-K119 PolarHBondContact O-N 3.46Å; E116-K119 WeakPolarHBondContact OE1-CE 3.35Å; E116-K119 IonicContact OE1-NZ 3.63Å; E116-K119 PolarHBondContact OE1-NZ 2.97Å; E116-K119 VanDerWaalsContact OE2-CD 3.28Å; E116-K119 WeakPolarHBondContact OE2-CD 3.33Å; E116-K119 WeakPolarHBondContact OE2-CE 3.43Å; E116-K119 IonicContact OE2-NZ 3.8Å; E116-K119 PolarHBondContact OE2-NZ 3.5Å; K119-V121 VanDerWaalsContact C-N 3.29Å; K119-V121 PolarHBondContact O-N 2.84Å; K119-R123 WeakPolarHBondContact O-CG 3.44Å; K119-W350 HydrophobicContact CG-CZ3 4.27Å
120	P	97	Very high	97.1	Very high	91 Å²	91	46.3 Å²	46.3	59%	0.591	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-13.8	-180	30.1	-36	0	0	0	113.6	L117 G122 R123	L117-P120 WeakPolarHBondContact O-CD 3.08Å; P120-G122 PolarHBondContact O-N 3.36Å; P120-R123 WeakPolarHBondContact O-CB 3.48Å; P120-R123 WeakPolarHBondContact O-CG 3.37Å; P120-R123 PolarHBondContact O-N 3.47Å
121	V	97.6	Very high	97.1	Very high	12 Å²	12	48.5 Å²	48.5	7%	0.073	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	128.6	-172.4	-175.3	0	0	0	0	111.1	L118 K119 R123 Y342 R345 K346	L118-V121 HydrophobicContact CD2-CG2 4.49Å; L118-V121 WeakPolarHBondContact O-CB 3.34Å; L118-V121 PolarHBondContact O-N 3.26Å; K119-V121 VanDerWaalsContact C-N 3.29Å; K119-V121 PolarHBondContact O-N 2.84Å; V121-R123 PolarHBondContact O-N 3.34Å; V121-R123 VanDerWaalsContact O-N 3.09Å; V121-Y342 HydrophobicContact CB-CE2 4.42Å; V121-Y342 HydrophobicContact CG1-CD1 4.33Å; V121-Y342 HydrophobicContact CG1-CD2 4.09Å; V121-Y342 HydrophobicContact CG1-CE1 4.28Å; V121-Y342 HydrophobicContact CG1-CE2 4.03Å; V121-Y342 HydrophobicContact CG1-CG 4.22Å; V121-Y342 WeakPolarHBondContact CG1-O 3.46Å; V121-Y342 HydrophobicContact CG2-CD2 3.6Å; V121-Y342 HydrophobicContact CG2-CE2 3.45Å; V121-Y342 VanDerWaalsContact CG2-CE2 3.45Å; V121-Y342 HydrophobicContact CG2-CG 4.47Å; V121-R345 HydrophobicContact CB-CB 3.93Å; V121-R345 HydrophobicContact CG1-CB 3.63Å; V121-K346 HydrophobicContact CG1-CG 3.88Å
122	G	96.9	Very high	97.1	Very high	11 Å²	11	52 Å²	52	11%	0.113	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	71	-5.6	178.8	0	0	0	0	0	115.4	P120 T124 L125 Y147	P120-G122 PolarHBondContact O-N 3.36Å; G122-T124 PolarHBondContact O-N 2.82Å; G122-T124 VanDerWaalsContact O-N 3.09Å; G122-L125 WeakPolarHBondContact O-CB 3.22Å; G122-L125 WeakPolarHBondContact O-CG 3.46Å; G122-L125 PolarHBondContact O-N 2.89Å; G122-L125 VanDerWaalsContact O-N 3.08Å; G122-Y147 VanDerWaalsContact O-CE1 3.25Å; G122-Y147 WeakPolarHBondContact O-CE1 3.36Å; G122-Y147 PolarHBondContact O-OH 3.02Å
123	R	95.6	Very high	97.1	Very high	106 Å²	106	55 Å²	55	40%	0.4	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-12.4	-170.8	-61.9	-63.7	-64.9	149.4	2.6	114.8	K119 P120 V121	K119-R123 WeakPolarHBondContact O-CG 3.44Å; P120-R123 WeakPolarHBondContact O-CB 3.48Å; P120-R123 WeakPolarHBondContact O-CG 3.37Å; P120-R123 PolarHBondContact O-N 3.47Å; V121-R123 PolarHBondContact O-N 3.34Å; V121-R123 VanDerWaalsContact O-N 3.09Å
124	T	96.4	Very high	97.2	Very high	140 Å²	140	54 Å²	54	86%	0.859	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-3.3	176.3	55.6	0	0	0	0	113.5	G122	G122-T124 PolarHBondContact O-N 2.82Å; G122-T124 VanDerWaalsContact O-N 3.09Å
125	L	97.5	Very high	97.3	Very high	60 Å²	60	53.8 Å²	53.8	31%	0.314	31%	0.307	S	S	.	.	S	Bend	trans	-76.3	146	-179.3	-60.2	171	0	0	0	110.8	G122 Y147 Y149 K346	G122-L125 WeakPolarHBondContact O-CB 3.22Å; G122-L125 WeakPolarHBondContact O-CG 3.46Å; G122-L125 PolarHBondContact O-N 2.89Å; G122-L125 VanDerWaalsContact O-N 3.08Å; L125-Y147 HydrophobicContact CB-CD1 3.64Å; L125-Y147 HydrophobicContact CB-CE1 3.88Å; L125-Y147 HydrophobicContact CB-CG 4.05Å; L125-Y147 HydrophobicContact CD1-CD2 4.08Å; L125-Y147 HydrophobicContact CD1-CE2 4.16Å; L125-Y147 HydrophobicContact CD1-CG 4.3Å; L125-Y149 HydrophobicContact CD1-CE1 3.87Å; L125-K346 WeakPolarHBondContact CD1-O 3.41Å
126	S	98.1	Very high	97.3	Very high	71 Å²	71	60.4 Å²	60.4	50%	0.497	33%	0.332	S	S	.	.			trans	-66.8	143.3	-177.2	-172.2	0	0	0	0	112.5	Y147 D148	S126-Y147 CarbonylContact O-C 3.59Å; S126-Y147 WeakPolarHBondContact O-CA 3.39Å; S126-D148 VanDerWaalsContact C-OD2 3.3Å; S126-D148 WeakPolarHBondContact CB-OD2 3.44Å; S126-D148 PolarHBondContact O-N 3.24Å; S126-D148 PolarHBondContact OG-OD2 2.85Å
127	M	97.8	Very high	97.3	Very high	39 Å²	39	61.9 Å²	61.9	19%	0.192	35%	0.346	C	S	.	.			trans	-134	26.4	174.9	-61.5	175.9	-71	0	0	110.6	A129 A130 D131 L145 P146 Y147 D148	M127-A129 VanDerWaalsContact C-N 3.3Å; M127-A129 PolarHBondContact O-N 3.13Å; M127-A130 WeakPolarHBondContact O-CB 3.23Å; M127-A130 PolarHBondContact O-N 3.41Å; M127-D131 PolarHBondContact O-N 3.4Å; M127-L145 HydrophobicContact CB-CB 4.17Å; M127-L145 HydrophobicContact CG-CB 4.35Å; M127-L145 HydrophobicContact SD-CB 3.78Å; M127-P146 WeakPolarHBondContact CG-O 3.18Å; M127-Y147 HydrophobicContact CG-CD1 3.57Å; M127-Y147 HydrophobicContact CG-CE1 4.07Å; M127-Y147 HydrophobicContact SD-CD1 3.95Å; M127-Y147 HydrophobicContact SD-CE1 3.86Å; M127-D148 PolarHBondContact N-OD2 2.74Å
128	A	97.9	Very high	97.4	Very high	56 Å²	56	59.3 Å²	59.3	46%	0.463	33%	0.331	S	S	.	.	H	α-helix	trans	-61.6	-35.1	-167.5	0	0	0	0	0	112.9	A130 D131 L132 D148	A128-A130 PolarHBondContact O-N 3.09Å; A128-D131 PolarHBondContact O-N 3.15Å; A128-L132 PolarHBondContact O-N 3.42Å; A128-D148 PolarHBondContact N-OD1 2.83Å; A128-D148 PolarHBondContact N-OD2 3.21Å
129	A	98.2	Very high	97.5	Very high	12 Å²	12	60.1 Å²	60.1	10%	0.099	34%	0.335	C	S	.	.	H	α-helix	trans	-62.4	-34.5	177.4	0	0	0	0	0	112	M127 D131 N135 D148 Y165	M127-A129 VanDerWaalsContact C-N 3.3Å; M127-A129 PolarHBondContact O-N 3.13Å; A129-D131 VanDerWaalsContact C-N 3.31Å; A129-N135 WeakPolarHBondContact O-CB 3.37Å; A129-N135 PolarHBondContact O-ND2 2.86Å; A129-D148 VanDerWaalsContact CB-OD1 3.28Å; A129-D148 WeakPolarHBondContact CB-OD1 3.43Å; A129-D148 PolarHBondContact N-OD1 3.46Å; A129-Y165 HydrophobicContact CB-CD2 4.34Å
130	A	98.3	Very high	97.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-73.3	-24.3	179.1	0	0	0	0	0	113.3	M127 A128 N139 L145 P146 Y165	M127-A130 WeakPolarHBondContact O-CB 3.23Å; M127-A130 PolarHBondContact O-N 3.41Å; A128-A130 PolarHBondContact O-N 3.09Å; A130-N139 PolarHBondContact O-ND2 3.28Å; A130-L145 HydrophobicContact CB-CB 3.8Å; A130-L145 HydrophobicContact CB-CD1 4.15Å; A130-L145 HydrophobicContact CB-CD2 4.12Å; A130-L145 HydrophobicContact CB-CG 4.23Å; A130-P146 HydrophobicContact CB-CG 4.17Å; A130-Y165 VanDerWaalsContact CA-CE2 3.48Å; A130-Y165 HydrophobicContact CB-CE2 3.77Å; A130-Y165 WeakPolarHBondContact CB-OH 3.4Å
131	D	95.8	Very high	97.6	Very high	81 Å²	81	57.6 Å²	57.6	43%	0.433	31%	0.314	S	S	.	.	H	α-helix	trans	-88	-8.8	-179.1	-78.5	-33.4	0	0	0	113.8	M127 A128 A129 R136 L145	M127-D131 PolarHBondContact O-N 3.4Å; A128-D131 PolarHBondContact O-N 3.15Å; A129-D131 VanDerWaalsContact C-N 3.31Å; D131-R136 PolarHBondContact O-NE 3.22Å; D131-R136 PolarHBondContact O-NH2 3.42Å; D131-L145 WeakPolarHBondContact OD1-CD1 3.39Å
132	L	97.9	Very high	97.6	Very high	73 Å²	73	63.2 Å²	63.2	38%	0.382	35%	0.349	S	S	.	.	S	Bend	trans	-57.5	137	173.8	-69.3	176.1	0	0	0	110.7	A128 C134 N135 R136	A128-L132 PolarHBondContact O-N 3.42Å; L132-C134 VanDerWaalsContact C-N 3.28Å; L132-C134 PolarHBondContact O-N 3.34Å; L132-N135 HydrophobicContact CB-CB 4.34Å; L132-N135 PolarHBondContact O-N 3.46Å; L132-R136 PolarHBondContact O-N 3.31Å
133	P	97.5	Very high	97.6	Very high	97 Å²	97	67.5 Å²	67.5	63%	0.63	37%	0.369	S	S	*	.	H	α-helix	trans	-51.3	-42.2	-177.5	-29.4	36	0	0	0	114.5	N135	P133-N135 VanDerWaalsContact C-N 3.27Å; P133-N135 PolarHBondContact O-N 2.89Å
134	C	97.4	Very high	97.7	Very high	35 Å²	35	62.6 Å²	62.6	24%	0.236	35%	0.351	C	S	.	.	H	α-helix	trans	-66	-24.3	178	57.4	0	0	0	0	114	L132 E161	L132-C134 VanDerWaalsContact C-N 3.28Å; L132-C134 PolarHBondContact O-N 3.34Å; C134-E161 WeakPolarHBondContact CB-O 3.34Å
135	N	98.5	Very high	97.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-97.5	-17.6	-176.2	-69.2	-24.2	0	0	0	113.6	A129 L132 P133 T137 K138 N139 G162 Y165	A129-N135 WeakPolarHBondContact O-CB 3.37Å; A129-N135 PolarHBondContact O-ND2 2.86Å; L132-N135 HydrophobicContact CB-CB 4.34Å; L132-N135 PolarHBondContact O-N 3.46Å; P133-N135 VanDerWaalsContact C-N 3.27Å; P133-N135 PolarHBondContact O-N 2.89Å; N135-T137 VanDerWaalsContact C-N 3.28Å; N135-T137 PolarHBondContact O-N 3.33Å; N135-K138 WeakPolarHBondContact O-CA 3.48Å; N135-K138 VanDerWaalsContact O-CB 3.31Å; N135-K138 WeakPolarHBondContact O-CB 3.43Å; N135-K138 PolarHBondContact O-N 2.56Å; N135-N139 PolarHBondContact O-ND2 3.06Å; N135-G162 PolarHBondContact OD1-O 3.44Å; N135-Y165 HydrophobicContact CB-CD1 3.7Å; N135-Y165 HydrophobicContact CB-CD2 4.23Å; N135-Y165 HydrophobicContact CB-CE1 3.98Å; N135-Y165 HydrophobicContact CB-CG 3.83Å; N135-Y165 VanDerWaalsContact CG-CB 3.42Å; N135-Y165 WeakPolarHBondContact ND2-CB 3.22Å; N135-Y165 VanDerWaalsContact OD1-CB 3.24Å; N135-Y165 WeakPolarHBondContact OD1-CB 3.36Å
136	R	97.9	Very high	97.9	Very high	149 Å²	149	53.6 Å²	53.6	56%	0.562	30%	0.298	S	S	*	.	H	α-helix	trans	-57.4	-39.6	-177.9	-73.4	176.8	-170.2	173.1	2.7	113	D131 L132 K138 N139	D131-R136 PolarHBondContact O-NE 3.22Å; D131-R136 PolarHBondContact O-NH2 3.42Å; L132-R136 PolarHBondContact O-N 3.31Å; R136-K138 PolarHBondContact O-N 3.01Å; R136-N139 PolarHBondContact O-N 3.12Å
137	T	97.5	Very high	97.9	Very high	105 Å²	105	50.2 Å²	50.2	64%	0.644	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-13.5	178.8	54.7	0	0	0	0	113.2	N135 N139 M187	N135-T137 VanDerWaalsContact C-N 3.28Å; N135-T137 PolarHBondContact O-N 3.33Å; T137-N139 VanDerWaalsContact C-N 3.31Å; T137-M187 VanDerWaalsContact O-CE 3.31Å; T137-M187 WeakPolarHBondContact O-CE 3.44Å
138	K	98.6	Very high	97.9	Very high	26 Å²	26	50.1 Å²	50.1	11%	0.113	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-2.5	175.6	-53.8	179.5	-177.6	-173.3	0	112.2	N135 R136 G162 Y165 Q184 M187 T190	N135-K138 WeakPolarHBondContact O-CA 3.48Å; N135-K138 VanDerWaalsContact O-CB 3.31Å; N135-K138 WeakPolarHBondContact O-CB 3.43Å; N135-K138 PolarHBondContact O-N 2.56Å; R136-K138 PolarHBondContact O-N 3.01Å; K138-G162 PolarHBondContact NZ-O 3.07Å; K138-Y165 HydrophobicContact CB-CD1 3.92Å; K138-Y165 HydrophobicContact CB-CE1 3.89Å; K138-Y165 HydrophobicContact CD-CD1 3.82Å; K138-Y165 HydrophobicContact CG-CD1 4.46Å; K138-Q184 PolarHBondContact O-NE2 3.11Å; K138-M187 WeakPolarHBondContact O-CE 3.36Å; K138-T190 HydrophobicContact CB-CG2 3.9Å; K138-T190 HydrophobicContact CG-CG2 4.29Å
139	N	98.6	Very high	98	Very high	17 Å²	17	54 Å²	54	9%	0.091	28%	0.278	C	S	.	.			trans	-102.1	121.9	178.7	-61.5	-44.8	0	0	0	111.7	A130 N135 R136 T137 F141 L145 Y165 N167	A130-N139 PolarHBondContact O-ND2 3.28Å; N135-N139 PolarHBondContact O-ND2 3.06Å; R136-N139 PolarHBondContact O-N 3.12Å; T137-N139 VanDerWaalsContact C-N 3.31Å; N139-F141 VanDerWaalsContact C-N 3.26Å; N139-F141 PolarHBondContact O-N 3.11Å; N139-L145 HydrophobicContact CB-CD2 4.14Å; N139-Y165 PolarHBondContact OD1-OH 3.18Å; N139-N167 PolarHBondContact OD1-ND2 3.29Å
140	R	98.3	Very high	98	Very high	43 Å²	43	53.9 Å²	53.9	16%	0.162	28%	0.276	C	S	.	.	S	Bend	trans	-65.5	-32.1	174.8	-174.5	177.2	-78	-81.5	5.4	112.2	G185 P186 M187 E218 K219	R140-G185 PolarHBondContact NE-O 3.22Å; R140-G185 PolarHBondContact NH2-O 3.41Å; R140-P186 PolarHBondContact NH2-O 2.94Å; R140-M187 WeakPolarHBondContact CA-SD 3.22Å; R140-M187 HydrophobicContact CB-CG 4.18Å; R140-M187 HydrophobicContact CB-SD 3.71Å; R140-M187 HydrophobicContact CG-CG 4.45Å; R140-M187 HydrophobicContact CG-SD 4.21Å; R140-E218 IonicContact CZ-OE1 3.38Å; R140-E218 IonicContact NH1-OE1 2.86Å; R140-E218 PolarHBondContact NH1-OE1 2.76Å; R140-E218 IonicContact NH2-OE1 2.89Å; R140-E218 PolarHBondContact NH2-OE1 2.81Å; R140-K219 PolarHBondContact NE-O 3.08Å
141	F	97.7	Very high	98	Very high	77 Å²	77	55.2 Å²	55.2	34%	0.338	28%	0.281	S	S	.	.			trans	-134.4	128.7	178.5	-55.4	-79.5	0	0	0	110.3	N139 N143 I144 A310	N139-F141 VanDerWaalsContact C-N 3.26Å; N139-F141 PolarHBondContact O-N 3.11Å; F141-N143 PolarHBondContact O-N 3.4Å; F141-I144 HydrophobicContact CB-CB 4.08Å; F141-I144 HydrophobicContact CB-CG1 3.85Å; F141-I144 HydrophobicContact CD2-CG1 4.45Å; F141-I144 HydrophobicContact CG-CG1 4.39Å; F141-I144 PolarHBondContact O-N 2.83Å; F141-A310 HydrophobicContact CD2-CB 3.71Å; F141-A310 HydrophobicContact CE2-CB 3.67Å
142	T	97.3	Very high	98.2	Very high	129 Å²	129	51.4 Å²	51.4	79%	0.791	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.9	-179.3	53.7	0	0	0	0	113.8
143	N	96.6	Very high	98.2	Very high	101 Å²	101	53.7 Å²	53.7	54%	0.54	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	2.6	180	68.8	-31	0	0	0	114	F141	F141-N143 PolarHBondContact O-N 3.4Å
144	I	98.1	Very high	98.2	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.021	24%	0.24	C	C	.	.			trans	-120.1	84.9	177.3	-51.1	-63.5	0	0	0	108.4	F141 N167 A310 V312 V349	F141-I144 HydrophobicContact CB-CB 4.08Å; F141-I144 HydrophobicContact CB-CG1 3.85Å; F141-I144 HydrophobicContact CD2-CG1 4.45Å; F141-I144 HydrophobicContact CG-CG1 4.39Å; F141-I144 PolarHBondContact O-N 2.83Å; I144-N167 PolarHBondContact O-ND2 3.04Å; I144-A310 HydrophobicContact CG1-CB 4.12Å; I144-A310 HydrophobicContact CG2-CB 4.23Å; I144-A310 WeakPolarHBondContact CG2-O 3.49Å; I144-V312 HydrophobicContact CD1-CG2 4.27Å; I144-V312 HydrophobicContact CG2-CG1 3.57Å; I144-V349 HydrophobicContact CG2-CG1 4.03Å
145	L	98.6	Very high	98.3	Very high	11 Å²	11	51.1 Å²	51.1	6%	0.058	25%	0.252	C	S	.	.			trans	-113.8	146.6	-175.2	-52.7	-178.6	0	0	0	110.4	M127 A130 D131 N139	M127-L145 HydrophobicContact CB-CB 4.17Å; M127-L145 HydrophobicContact CG-CB 4.35Å; M127-L145 HydrophobicContact SD-CB 3.78Å; A130-L145 HydrophobicContact CB-CB 3.8Å; A130-L145 HydrophobicContact CB-CD1 4.15Å; A130-L145 HydrophobicContact CB-CD2 4.12Å; A130-L145 HydrophobicContact CB-CG 4.23Å; D131-L145 WeakPolarHBondContact OD1-CD1 3.39Å; N139-L145 HydrophobicContact CB-CD2 4.14Å
146	P	98.8	Very high	98.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.283	C	S	.	.			trans	-73.9	140	177.3	32.3	-37.2	0	0	0	111.3	M127 A130 R151 Y165 N169	M127-P146 WeakPolarHBondContact CG-O 3.18Å; A130-P146 HydrophobicContact CB-CG 4.17Å; P146-R151 HydrophobicContact CB-CB 4.12Å; P146-Y165 VanDerWaalsContact CD-OH 3.23Å; P146-Y165 WeakPolarHBondContact CD-OH 3.15Å; P146-Y165 HydrophobicContact CG-CE2 3.8Å; P146-Y165 WeakPolarHBondContact CG-OH 3.36Å; P146-N169 WeakPolarHBondContact CA-OD1 2.91Å; P146-N169 WeakPolarHBondContact CB-OD1 3.22Å
147	Y	98.8	Very high	98.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.275	C	S	.	.			trans	-67.9	137.4	168.6	-61.2	-49.4	0	0	0	111.2	G122 L125 S126 M127 Y149 S150 R151 N169 R345 K346 R348 V349	G122-Y147 VanDerWaalsContact O-CE1 3.25Å; G122-Y147 WeakPolarHBondContact O-CE1 3.36Å; G122-Y147 PolarHBondContact O-OH 3.02Å; L125-Y147 HydrophobicContact CB-CD1 3.64Å; L125-Y147 HydrophobicContact CB-CE1 3.88Å; L125-Y147 HydrophobicContact CB-CG 4.05Å; L125-Y147 HydrophobicContact CD1-CD2 4.08Å; L125-Y147 HydrophobicContact CD1-CE2 4.16Å; L125-Y147 HydrophobicContact CD1-CG 4.3Å; S126-Y147 CarbonylContact O-C 3.59Å; S126-Y147 WeakPolarHBondContact O-CA 3.39Å; M127-Y147 HydrophobicContact CG-CD1 3.57Å; M127-Y147 HydrophobicContact CG-CE1 4.07Å; M127-Y147 HydrophobicContact SD-CD1 3.95Å; M127-Y147 HydrophobicContact SD-CE1 3.86Å; Y147-Y149 VanDerWaalsContact C-N 3.31Å; Y147-Y149 HydrophobicContact CD2-CE1 4.4Å; Y147-Y149 PolarHBondContact O-N 2.86Å; Y147-S150 PolarHBondContact O-N 2.78Å; Y147-S150 PolarHBondContact O-OG 2.71Å; Y147-R151 WeakPolarHBondContact O-CB 3.33Å; Y147-R151 PolarHBondContact O-N 2.66Å; Y147-N169 PolarHBondContact N-ND2 3.49Å; Y147-N169 VanDerWaalsContact N-ND2 3.18Å; Y147-N169 PolarHBondContact O-ND2 3.43Å; Y147-R345 WeakPolarHBondContact CE2-O 3.34Å; Y147-K346 VanDerWaalsContact CD2-O 3.25Å; Y147-K346 WeakPolarHBondContact CD2-O 3.33Å; Y147-R348 VanDerWaalsContact CE2-C 3.45Å; Y147-V349 HydrophobicContact CE1-CB 4.5Å; Y147-V349 HydrophobicContact CE2-CB 4.41Å
148	D	98.7	Very high	97.9	Very high	36 Å²	36	53.7 Å²	53.7	19%	0.193	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-36.1	-173	-69.6	-37.9	0	0	0	113.3	S126 M127 A128 A129 R151	S126-D148 VanDerWaalsContact C-OD2 3.3Å; S126-D148 WeakPolarHBondContact CB-OD2 3.44Å; S126-D148 PolarHBondContact O-N 3.24Å; S126-D148 PolarHBondContact OG-OD2 2.85Å; M127-D148 PolarHBondContact N-OD2 2.74Å; A128-D148 PolarHBondContact N-OD1 2.83Å; A128-D148 PolarHBondContact N-OD2 3.21Å; A129-D148 VanDerWaalsContact CB-OD1 3.28Å; A129-D148 WeakPolarHBondContact CB-OD1 3.43Å; A129-D148 PolarHBondContact N-OD1 3.46Å; D148-R151 WeakPolarHBondContact O-CG 3.37Å
149	Y	98.5	Very high	97.6	Very high	138 Å²	138	61 Å²	61	54%	0.541	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-29	-173.7	87.6	-83.9	0	0	0	113.1	L125 Y147 K346 E347	L125-Y149 HydrophobicContact CD1-CE1 3.87Å; Y147-Y149 VanDerWaalsContact C-N 3.31Å; Y147-Y149 HydrophobicContact CD2-CE1 4.4Å; Y147-Y149 PolarHBondContact O-N 2.86Å; Y149-K346 VanDerWaalsContact CE1-O 3.25Å; Y149-K346 WeakPolarHBondContact CE1-O 3.45Å; Y149-K346 PolarHBondContact OH-O 3.32Å; Y149-E347 VanDerWaalsContact OH-CA 3.24Å; Y149-E347 WeakPolarHBondContact OH-CA 3.39Å; Y149-E347 WeakPolarHBondContact OH-CG 3.47Å; Y149-E347 PolarHBondContact OH-N 3.11Å
150	S	98.6	Very high	97.3	Very high	9 Å²	9	63.8 Å²	63.8	6%	0.063	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-2.3	-177	59.6	0	0	0	0	112.7	Y147 N169 Y170 E347	Y147-S150 PolarHBondContact O-N 2.78Å; Y147-S150 PolarHBondContact O-OG 2.71Å; S150-N169 CarbonylContact O-C 3.55Å; S150-N169 VanDerWaalsContact O-CA 3.29Å; S150-N169 WeakPolarHBondContact O-CA 3.18Å; S150-N169 PolarHBondContact OG-ND2 3.35Å; S150-Y170 WeakPolarHBondContact O-CD2 3.47Å; S150-Y170 PolarHBondContact O-N 3.29Å; S150-E347 PolarHBondContact OG-O 3.03Å
151	R	98.7	Very high	97.2	Very high	29 Å²	29	68.8 Å²	68.8	11%	0.109	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	146.5	-178.2	76.3	-177.8	176.2	86.6	-5	111.5	P146 Y147 D148 K153 D164 A168 N169	P146-R151 HydrophobicContact CB-CB 4.12Å; Y147-R151 WeakPolarHBondContact O-CB 3.33Å; Y147-R151 PolarHBondContact O-N 2.66Å; D148-R151 WeakPolarHBondContact O-CG 3.37Å; R151-K153 HydrophobicContact CG-CG 4.27Å; R151-D164 IonicContact CZ-OD2 3.65Å; R151-D164 VanDerWaalsContact CZ-OD2 3.26Å; R151-D164 IonicContact NH1-OD2 2.72Å; R151-D164 PolarHBondContact NH1-OD2 3.4Å; R151-D164 IonicContact NH2-OD2 3.18Å; R151-D164 PolarHBondContact NH2-OD2 2.66Å; R151-A168 CarbonylContact C-O 3.57Å; R151-A168 VanDerWaalsContact CA-O 3.23Å; R151-A168 WeakPolarHBondContact CA-O 3.18Å; R151-N169 PolarHBondContact N-ND2 3.44Å
152	V	98.8	Very high	97.1	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	134.9	166.2	-174.1	0	0	0	0	108	I166 A168 Y170 I181 M197 Q201	V152-I166 HydrophobicContact CB-CG2 4.14Å; V152-I166 HydrophobicContact CG1-CG2 4.41Å; V152-A168 HydrophobicContact CB-CB 4.13Å; V152-A168 HydrophobicContact CG2-CB 3.88Å; V152-A168 PolarHBondContact N-O 2.77Å; V152-Y170 HydrophobicContact CB-CE2 4.36Å; V152-Y170 HydrophobicContact CG2-CD1 4.47Å; V152-Y170 HydrophobicContact CG2-CD2 4.18Å; V152-Y170 HydrophobicContact CG2-CE1 4.22Å; V152-Y170 HydrophobicContact CG2-CE2 3.91Å; V152-Y170 HydrophobicContact CG2-CG 4.45Å; V152-I181 HydrophobicContact CG2-CB 4.44Å; V152-I181 HydrophobicContact CG2-CD1 4.12Å; V152-I181 HydrophobicContact CG2-CG1 3.92Å; V152-I181 HydrophobicContact CG2-CG2 3.71Å; V152-M197 HydrophobicContact CB-SD 4.28Å; V152-M197 HydrophobicContact CG1-CG 3.85Å; V152-M197 HydrophobicContact CG1-SD 4.09Å; V152-M197 HydrophobicContact CG2-SD 4.32Å; V152-Q201 HydrophobicContact CG1-CG 4.14Å
153	K	98.7	Very high	97.1	Very high	121 Å²	121	59.7 Å²	59.7	53%	0.526	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.2	176	-48.2	-165.2	178.2	176.8	0	108.1	R151 D164	R151-K153 HydrophobicContact CG-CG 4.27Å; K153-D164 WeakPolarHBondContact CA-O 3.35Å
154	L	98.7	Very high	97.2	Very high	8 Å²	8	56.5 Å²	56.5	4%	0.042	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-80	161.3	170.8	-57.7	-179.1	0	0	0	109.9	S156 D164 I166 D193 R196 M197 E200	L154-S156 PolarHBondContact O-N 2.91Å; L154-D164 PolarHBondContact N-O 3.09Å; L154-D164 WeakPolarHBondContact O-CA 3.39Å; L154-D164 WeakPolarHBondContact O-CB 3.42Å; L154-I166 HydrophobicContact CD1-CB 4.17Å; L154-I166 HydrophobicContact CD1-CG2 4.35Å; L154-I166 HydrophobicContact CD2-CG2 4.21Å; L154-I166 HydrophobicContact CG-CB 4.39Å; L154-I166 HydrophobicContact CG-CG2 4.04Å; L154-D193 HydrophobicContact CD1-CB 3.88Å; L154-R196 HydrophobicContact CD2-CG 4.47Å; L154-M197 HydrophobicContact CD2-CB 3.73Å; L154-M197 HydrophobicContact CD2-CG 4.21Å; L154-E200 WeakPolarHBondContact CA-OE2 3.4Å
155	S	97.9	Very high	97.3	Very high	71 Å²	71	56.3 Å²	56.3	50%	0.497	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-63.9	125.6	169.5	-55.9	0	0	0	0	109.2	E200	S155-E200 WeakPolarHBondContact CB-OE1 3.43Å; S155-E200 PolarHBondContact N-OE2 3.46Å; S155-E200 VanDerWaalsContact OG-CD 3.23Å; S155-E200 PolarHBondContact OG-OE1 2.9Å; S155-E200 PolarHBondContact OG-OE2 2.57Å
156	S	96.2	Very high	97.3	Very high	92 Å²	92	56.2 Å²	56.2	64%	0.643	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-61	141.9	177.8	-58.7	0	0	0	0	110.8	L154	L154-S156 PolarHBondContact O-N 2.91Å
157	V	95.6	Very high	97.3	Very high	67 Å²	67	56.3 Å²	56.3	41%	0.406	30%	0.297	S	S	.	.			trans	-105.2	132.6	173.2	177.5	0	0	0	0	107.5	D159 D160 S163	V157-D159 PolarHBondContact O-N 2.83Å; V157-D160 HydrophobicContact CB-CB 4.19Å; V157-D160 HydrophobicContact CG1-CB 4.33Å; V157-D160 PolarHBondContact O-N 3.42Å; V157-S163 PolarHBondContact N-OG 3.37Å; V157-S163 PolarHBondContact O-OG 2.93Å
158	D	93.7	Very high	97.3	Very high	148 Å²	148	56.3 Å²	56.3	79%	0.791	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	138.8	177.3	-62.5	-29	0	0	0	109.9	D160	D158-D160 PolarHBondContact O-N 3.4Å; D158-D160 VanDerWaalsContact O-N 3.11Å
159	D	92.5	Very high	97.3	Very high	180 Å²	180	54.6 Å²	54.6	96%	0.963	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	11.9	-179.4	-53.3	-43.3	0	0	0	116.5	V157	V157-D159 PolarHBondContact O-N 2.83Å
160	D	93.5	Very high	97.3	Very high	76 Å²	76	49.1 Å²	49.1	41%	0.406	27%	0.267	S	S	.	.			trans	-117.5	97.7	173.2	-177.6	14.7	0	0	0	111.7	V157 D158 G162 S163	V157-D160 HydrophobicContact CB-CB 4.19Å; V157-D160 HydrophobicContact CG1-CB 4.33Å; V157-D160 PolarHBondContact O-N 3.42Å; D158-D160 PolarHBondContact O-N 3.4Å; D158-D160 VanDerWaalsContact O-N 3.11Å; D160-G162 PolarHBondContact O-N 3.32Å; D160-S163 VanDerWaalsContact O-CB 3.22Å; D160-S163 WeakPolarHBondContact O-CB 3.42Å; D160-S163 PolarHBondContact O-N 3.12Å; D160-S163 PolarHBondContact O-OG 3Å; D160-S163 WeakPolarHBondContact OD2-CB 3.38Å
161	E	94.7	Very high	97.3	Very high	148 Å²	148	48.7 Å²	48.7	69%	0.692	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	122.8	178	-170.6	-174.4	178.6	0	0	111.3	C134 S163	C134-E161 WeakPolarHBondContact CB-O 3.34Å; E161-S163 VanDerWaalsContact C-N 3.34Å
162	G	96.7	Very high	97.3	Very high	11 Å²	11	49 Å²	49	11%	0.113	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	12.4	-178	0	0	0	0	0	113.8	N135 K138 D160 D164 Y165	N135-G162 PolarHBondContact OD1-O 3.44Å; K138-G162 PolarHBondContact NZ-O 3.07Å; D160-G162 PolarHBondContact O-N 3.32Å; G162-D164 PolarHBondContact O-N 2.9Å; G162-Y165 VanDerWaalsContact O-CB 3.28Å; G162-Y165 WeakPolarHBondContact O-CB 3.41Å; G162-Y165 PolarHBondContact O-N 2.89Å
163	S	97.8	Very high	97.1	Very high	4 Å²	4	49.7 Å²	49.7	3%	0.028	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.7	171.1	51.3	0	0	0	0	114.1	V157 D160 E161 Y165 R196	V157-S163 PolarHBondContact N-OG 3.37Å; V157-S163 PolarHBondContact O-OG 2.93Å; D160-S163 VanDerWaalsContact O-CB 3.22Å; D160-S163 WeakPolarHBondContact O-CB 3.42Å; D160-S163 PolarHBondContact O-N 3.12Å; D160-S163 PolarHBondContact O-OG 3Å; D160-S163 WeakPolarHBondContact OD2-CB 3.38Å; E161-S163 VanDerWaalsContact C-N 3.34Å; S163-Y165 VanDerWaalsContact C-N 3.25Å; S163-Y165 PolarHBondContact O-N 3.19Å; S163-R196 PolarHBondContact O-NH2 2.88Å
164	D	98.5	Very high	96.9	Very high	33 Å²	33	48 Å²	48	18%	0.176	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-9.1	175	85	-48.7	0	0	0	113.5	R151 K153 L154 G162	R151-D164 IonicContact CZ-OD2 3.65Å; R151-D164 VanDerWaalsContact CZ-OD2 3.26Å; R151-D164 IonicContact NH1-OD2 2.72Å; R151-D164 PolarHBondContact NH1-OD2 3.4Å; R151-D164 IonicContact NH2-OD2 3.18Å; R151-D164 PolarHBondContact NH2-OD2 2.66Å; K153-D164 WeakPolarHBondContact CA-O 3.35Å; L154-D164 PolarHBondContact N-O 3.09Å; L154-D164 WeakPolarHBondContact O-CA 3.39Å; L154-D164 WeakPolarHBondContact O-CB 3.42Å; G162-D164 PolarHBondContact O-N 2.9Å
165	Y	98.8	Very high	96.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	130.5	-170.8	-178.6	-93.3	0	0	0	113	A129 A130 N135 K138 N139 P146 G162 S163 N167	A129-Y165 HydrophobicContact CB-CD2 4.34Å; A130-Y165 VanDerWaalsContact CA-CE2 3.48Å; A130-Y165 HydrophobicContact CB-CE2 3.77Å; A130-Y165 WeakPolarHBondContact CB-OH 3.4Å; N135-Y165 HydrophobicContact CB-CD1 3.7Å; N135-Y165 HydrophobicContact CB-CD2 4.23Å; N135-Y165 HydrophobicContact CB-CE1 3.98Å; N135-Y165 HydrophobicContact CB-CG 3.83Å; N135-Y165 VanDerWaalsContact CG-CB 3.42Å; N135-Y165 WeakPolarHBondContact ND2-CB 3.22Å; N135-Y165 VanDerWaalsContact OD1-CB 3.24Å; N135-Y165 WeakPolarHBondContact OD1-CB 3.36Å; K138-Y165 HydrophobicContact CB-CD1 3.92Å; K138-Y165 HydrophobicContact CB-CE1 3.89Å; K138-Y165 HydrophobicContact CD-CD1 3.82Å; K138-Y165 HydrophobicContact CG-CD1 4.46Å; N139-Y165 PolarHBondContact OD1-OH 3.18Å; P146-Y165 VanDerWaalsContact CD-OH 3.23Å; P146-Y165 WeakPolarHBondContact CD-OH 3.15Å; P146-Y165 HydrophobicContact CG-CE2 3.8Å; P146-Y165 WeakPolarHBondContact CG-OH 3.36Å; G162-Y165 VanDerWaalsContact O-CB 3.28Å; G162-Y165 WeakPolarHBondContact O-CB 3.41Å; G162-Y165 PolarHBondContact O-N 2.89Å; S163-Y165 VanDerWaalsContact C-N 3.25Å; S163-Y165 PolarHBondContact O-N 3.19Å; Y165-N167 HydrophobicContact CE1-CB 4.5Å
166	I	98.9	Very high	96.3	Very high	10 Å²	10	49.4 Å²	49.4	5%	0.051	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	144.7	161.7	-175.6	164.9	0	0	0	108.9	V152 L154 A168 D193 M197	V152-I166 HydrophobicContact CB-CG2 4.14Å; V152-I166 HydrophobicContact CG1-CG2 4.41Å; L154-I166 HydrophobicContact CD1-CB 4.17Å; L154-I166 HydrophobicContact CD1-CG2 4.35Å; L154-I166 HydrophobicContact CD2-CG2 4.21Å; L154-I166 HydrophobicContact CG-CB 4.39Å; L154-I166 HydrophobicContact CG-CG2 4.04Å; I166-A168 HydrophobicContact CG2-CB 4.18Å; I166-A168 PolarHBondContact O-N 3.04Å; I166-D193 HydrophobicContact CD1-CB 4.18Å; I166-M197 HydrophobicContact CD1-CB 3.98Å; I166-M197 HydrophobicContact CD1-CE 4.18Å; I166-M197 HydrophobicContact CD1-CG 4.44Å; I166-M197 HydrophobicContact CD1-SD 3.83Å; I166-M197 HydrophobicContact CG2-SD 4.06Å
167	N	98.9	Very high	96.3	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	75.8	177.2	-169.8	-39.2	0	0	0	111.3	N139 I144 Y165 T183 Q184 R348	N139-N167 PolarHBondContact OD1-ND2 3.29Å; I144-N167 PolarHBondContact O-ND2 3.04Å; Y165-N167 HydrophobicContact CE1-CB 4.5Å; N167-T183 WeakPolarHBondContact O-CA 3.28Å; N167-T183 PolarHBondContact O-OG1 3.26Å; N167-T183 VanDerWaalsContact O-OG1 3.04Å; N167-Q184 HydrophobicContact CB-CG 4.15Å; N167-Q184 PolarHBondContact ND2-OE1 3.09Å; N167-Q184 PolarHBondContact O-N 2.85Å; N167-R348 PolarHBondContact OD1-NH1 3.33Å; N167-R348 PolarHBondContact OD1-NH2 2.86Å
168	A	98.9	Very high	96.3	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	147.7	-178.7	0	0	0	0	0	111.3	R151 V152 I166 I181 A182 M197	R151-A168 CarbonylContact C-O 3.57Å; R151-A168 VanDerWaalsContact CA-O 3.23Å; R151-A168 WeakPolarHBondContact CA-O 3.18Å; V152-A168 HydrophobicContact CB-CB 4.13Å; V152-A168 HydrophobicContact CG2-CB 3.88Å; V152-A168 PolarHBondContact N-O 2.77Å; I166-A168 HydrophobicContact CG2-CB 4.18Å; I166-A168 PolarHBondContact O-N 3.04Å; A168-I181 HydrophobicContact CB-CG2 3.78Å; A168-A182 CarbonylContact C-O 3.59Å; A168-A182 VanDerWaalsContact CA-O 3.29Å; A168-A182 WeakPolarHBondContact CA-O 3.36Å; A168-M197 HydrophobicContact CB-SD 3.74Å
169	N	98.9	Very high	96.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	145.6	172.7	-61.7	94.4	0	0	0	110.5	P146 Y147 S150 R151 I171 I181 A182 E347 R348	P146-N169 WeakPolarHBondContact CA-OD1 2.91Å; P146-N169 WeakPolarHBondContact CB-OD1 3.22Å; Y147-N169 PolarHBondContact N-ND2 3.49Å; Y147-N169 VanDerWaalsContact N-ND2 3.18Å; Y147-N169 PolarHBondContact O-ND2 3.43Å; S150-N169 CarbonylContact O-C 3.55Å; S150-N169 VanDerWaalsContact O-CA 3.29Å; S150-N169 WeakPolarHBondContact O-CA 3.18Å; S150-N169 PolarHBondContact OG-ND2 3.35Å; R151-N169 PolarHBondContact N-ND2 3.44Å; N169-I171 HydrophobicContact CB-CD1 4.42Å; N169-I181 CarbonylContact O-C 3.51Å; N169-I181 WeakPolarHBondContact O-CA 3.39Å; N169-A182 PolarHBondContact N-O 2.97Å; N169-A182 PolarHBondContact O-N 3.38Å; N169-E347 WeakPolarHBondContact CB-O 2.9Å; N169-E347 PolarHBondContact ND2-O 2.9Å; N169-R348 HydrophobicContact CB-CB 3.97Å; N169-R348 HydrophobicContact CB-CG 4.35Å; N169-R348 WeakPolarHBondContact OD1-CG 3.19Å; N169-R348 PolarHBondContact OD1-NH1 3.37Å
170	Y	98.8	Very high	96.7	Very high	24 Å²	24	38 Å²	38	9%	0.094	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	138.1	161.9	-64.2	-74.3	0	0	0	109.8	S150 V152 R178 Y180 I181 Q201	S150-Y170 WeakPolarHBondContact O-CD2 3.47Å; S150-Y170 PolarHBondContact O-N 3.29Å; V152-Y170 HydrophobicContact CB-CE2 4.36Å; V152-Y170 HydrophobicContact CG2-CD1 4.47Å; V152-Y170 HydrophobicContact CG2-CD2 4.18Å; V152-Y170 HydrophobicContact CG2-CE1 4.22Å; V152-Y170 HydrophobicContact CG2-CE2 3.91Å; V152-Y170 HydrophobicContact CG2-CG 4.45Å; Y170-R178 HydrophobicContact CD1-CB 3.81Å; Y170-R178 HydrophobicContact CD1-CG 4Å; Y170-R178 HydrophobicContact CE1-CB 4.5Å; Y170-R178 HydrophobicContact CG-CB 4.26Å; Y170-R178 HydrophobicContact CG-CG 3.97Å; Y170-Y180 CarbonylContact C-O 3.57Å; Y170-Y180 WeakPolarHBondContact CA-O 3.19Å; Y170-I181 HydrophobicContact CD1-CD1 4.38Å; Y170-I181 HydrophobicContact CD1-CG1 3.73Å; Y170-I181 HydrophobicContact CE1-CD1 3.89Å; Y170-I181 HydrophobicContact CE1-CG1 3.75Å; Y170-Q201 PolarHBondContact OH-NE2 2.99Å; Y170-Q201 PolarHBondContact OH-OE1 3.32Å
171	I	98.6	Very high	96.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	133.5	174.3	-51.4	-66.4	0	0	0	108.3	N169 E179 Y180 A182 I319 M344 E347 R348 M351	N169-I171 HydrophobicContact CB-CD1 4.42Å; I171-E179 PolarHBondContact O-N 3.18Å; I171-Y180 PolarHBondContact N-O 3.27Å; I171-Y180 PolarHBondContact O-N 2.94Å; I171-Y180 VanDerWaalsContact O-N 3.13Å; I171-A182 HydrophobicContact CD1-CB 4.23Å; I171-A182 HydrophobicContact CG1-CB 3.6Å; I171-I319 HydrophobicContact CB-CD1 4.47Å; I171-I319 HydrophobicContact CG1-CD1 4.37Å; I171-I319 HydrophobicContact CG2-CD1 4.5Å; I171-I319 HydrophobicContact CG2-CG2 3.97Å; I171-M344 HydrophobicContact CG2-CB 4.43Å; I171-M344 HydrophobicContact CG2-CE 4.49Å; I171-M344 HydrophobicContact CG2-CG 3.86Å; I171-E347 VanDerWaalsContact CA-OE2 3.3Å; I171-E347 WeakPolarHBondContact CA-OE2 3.46Å; I171-E347 HydrophobicContact CD1-CB 3.69Å; I171-E347 WeakPolarHBondContact CG2-OE2 3.19Å; I171-R348 HydrophobicContact CD1-CB 3.59Å; I171-M351 HydrophobicContact CD1-CE 4.32Å; I171-M351 HydrophobicContact CG1-CE 4.27Å
172	S	97.6	Very high	97.1	Very high	36 Å²	36	27.3 Å²	27.3	25%	0.252	14%	0.142	S	C	.	.			trans	-64.2	139.9	174.3	-66.7	0	0	0	0	110.6	P177 Q323 E347	S172-P177 WeakPolarHBondContact CA-O 3.36Å; S172-P177 WeakPolarHBondContact OG-CA 3.35Å; S172-P177 PolarHBondContact OG-O 3.06Å; S172-P177 VanDerWaalsContact OG-O 3.09Å; S172-Q323 PolarHBondContact O-NE2 3.3Å; S172-E347 WeakPolarHBondContact CB-OE1 3.4Å; S172-E347 PolarHBondContact N-OE1 3.45Å; S172-E347 PolarHBondContact N-OE2 3.45Å; S172-E347 PolarHBondContact OG-OE1 3.24Å
173	G	95.6	Very high	97.2	Very high	14 Å²	14	27 Å²	27	14%	0.144	14%	0.137	C	C	.	.			trans	-118	-171.7	171.8	0	0	0	0	0	112.4	N175 N176 E179	G173-N175 VanDerWaalsContact C-N 3.29Å; G173-N175 PolarHBondContact O-N 3.23Å; G173-N176 PolarHBondContact N-O 3.21Å; G173-E179 VanDerWaalsContact C-OE2 3.27Å; G173-E179 VanDerWaalsContact CA-OE2 3.25Å; G173-E179 WeakPolarHBondContact CA-OE2 3.36Å
174	Y	93.8	Very high	97.3	Very high	85 Å²	85	27.1 Å²	27.1	33%	0.333	14%	0.138	S	C	.	.	S	Bend	trans	-65	-35.7	178.2	-174.5	-99.3	0	0	0	111.7	E179 Q326 H327 S330	Y174-E179 PolarHBondContact N-OE2 2.96Å; Y174-Q326 HydrophobicContact CD1-CB 3.83Å; Y174-Q326 HydrophobicContact CD1-CG 4.47Å; Y174-Q326 HydrophobicContact CD2-CB 3.99Å; Y174-Q326 HydrophobicContact CE1-CB 4.24Å; Y174-Q326 HydrophobicContact CE2-CB 4.39Å; Y174-Q326 HydrophobicContact CG-CB 3.7Å; Y174-Q326 HydrophobicContact CG-CG 4.48Å; Y174-H327 AromaticContact CD2-CE1 3.37Å; Y174-H327 WeakPolarHBondContact CD2-CE1 3.38Å; Y174-H327 AromaticContact CD2-CG 3.97Å; Y174-H327 AromaticContact CD2-ND1 3.48Å; Y174-H327 WeakPolarHBondContact CD2-ND1 3.19Å; Y174-H327 AromaticContact CD2-NE2 3.76Å; Y174-H327 AromaticContact CE2-CD2 3.62Å; Y174-H327 AromaticContact CE2-CE1 3.67Å; Y174-H327 AromaticContact CE2-CG 3.69Å; Y174-H327 AromaticContact CE2-ND1 3.71Å; Y174-H327 AromaticContact CE2-NE2 3.6Å; Y174-S330 WeakPolarHBondContact OH-CB 3.35Å
175	N	92.3	Very high	97.3	Very high	63 Å²	63	25.6 Å²	25.6	34%	0.337	13%	0.129	S	C	.	.	S	Bend	trans	-101.5	-22.3	-170.5	-55.7	-71.3	0	0	0	113.3	G173 E179 Q326	G173-N175 VanDerWaalsContact C-N 3.29Å; G173-N175 PolarHBondContact O-N 3.23Å; N175-E179 PolarHBondContact N-OE2 3.25Å; N175-E179 PolarHBondContact ND2-OE1 2.9Å; N175-E179 PolarHBondContact ND2-OE2 3.47Å; N175-Q326 PolarHBondContact ND2-OE1 2.92Å
176	N	92.8	Very high	97.3	Very high	46 Å²	46	25.7 Å²	25.7	25%	0.246	13%	0.13	C	C	.	.			trans	-155.5	141.4	-173.9	-166.3	-72	0	0	0	112.5	G173 R178 E179	G173-N176 PolarHBondContact N-O 3.21Å; N176-R178 PolarHBondContact O-N 3.19Å; N176-R178 PolarHBondContact OD1-N 3.26Å; N176-E179 HydrophobicContact CB-CB 4.06Å; N176-E179 WeakPolarHBondContact O-CB 3.45Å; N176-E179 PolarHBondContact O-N 3.27Å; N176-E179 VanDerWaalsContact O-N 3.11Å
177	P	94.8	Very high	97.3	Very high	92 Å²	92	26.2 Å²	26.2	60%	0.597	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-12.6	174.4	-23.9	34.2	0	0	0	115.6	S172	S172-P177 WeakPolarHBondContact CA-O 3.36Å; S172-P177 WeakPolarHBondContact OG-CA 3.35Å; S172-P177 PolarHBondContact OG-O 3.06Å; S172-P177 VanDerWaalsContact OG-O 3.09Å
178	R	95.9	Very high	97.2	Very high	142 Å²	142	29.9 Å²	29.9	54%	0.536	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.2	37.1	174.6	-62.4	-171.2	176.2	177.9	-0.3	111.2	Y170 N176 Y180	Y170-R178 HydrophobicContact CD1-CB 3.81Å; Y170-R178 HydrophobicContact CD1-CG 4Å; Y170-R178 HydrophobicContact CE1-CB 4.5Å; Y170-R178 HydrophobicContact CG-CB 4.26Å; Y170-R178 HydrophobicContact CG-CG 3.97Å; N176-R178 PolarHBondContact O-N 3.19Å; N176-R178 PolarHBondContact OD1-N 3.26Å; R178-Y180 PolarHBondContact O-N 3.16Å
179	E	96.5	Very high	97.1	Very high	13 Å²	13	33.7 Å²	33.7	6%	0.061	18%	0.183	C	C	.	.	S	Bend	trans	-61.3	-29.3	-179.6	-170.2	169.9	172.7	0	0	112.3	I171 G173 Y174 N175 N176 R293 P303 V304	I171-E179 PolarHBondContact O-N 3.18Å; G173-E179 VanDerWaalsContact C-OE2 3.27Å; G173-E179 VanDerWaalsContact CA-OE2 3.25Å; G173-E179 WeakPolarHBondContact CA-OE2 3.36Å; Y174-E179 PolarHBondContact N-OE2 2.96Å; N175-E179 PolarHBondContact N-OE2 3.25Å; N175-E179 PolarHBondContact ND2-OE1 2.9Å; N175-E179 PolarHBondContact ND2-OE2 3.47Å; N176-E179 HydrophobicContact CB-CB 4.06Å; N176-E179 WeakPolarHBondContact O-CB 3.45Å; N176-E179 PolarHBondContact O-N 3.27Å; N176-E179 VanDerWaalsContact O-N 3.11Å; E179-R293 IonicContact OE1-CZ 2.93Å; E179-R293 VanDerWaalsContact OE1-CZ 3.27Å; E179-R293 IonicContact OE1-NH1 3.21Å; E179-R293 PolarHBondContact OE1-NH1 3.24Å; E179-R293 IonicContact OE1-NH2 3.17Å; E179-R293 PolarHBondContact OE1-NH2 2.76Å; E179-P303 CarbonylContact O-C 3.36Å; E179-P303 WeakPolarHBondContact O-CA 3.45Å; E179-V304 PolarHBondContact O-N 2.81Å
180	Y	98.3	Very high	97.1	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	155.8	-179.4	-50.7	-79.1	0	0	0	113.1	Y170 I171 R178 R293 V304 V306 I319 D322 Q323	Y170-Y180 CarbonylContact C-O 3.57Å; Y170-Y180 WeakPolarHBondContact CA-O 3.19Å; I171-Y180 PolarHBondContact N-O 3.27Å; I171-Y180 PolarHBondContact O-N 2.94Å; I171-Y180 VanDerWaalsContact O-N 3.13Å; R178-Y180 PolarHBondContact O-N 3.16Å; Y180-R293 PolarHBondContact OH-NH2 3.46Å; Y180-V304 CarbonylContact C-O 3.59Å; Y180-V304 VanDerWaalsContact CA-O 3.28Å; Y180-V304 WeakPolarHBondContact CA-O 3.46Å; Y180-V304 HydrophobicContact CD1-CB 4.07Å; Y180-V304 HydrophobicContact CE1-CB 4.49Å; Y180-V306 HydrophobicContact CD1-CG2 3.78Å; Y180-V306 HydrophobicContact CG-CG2 4.48Å; Y180-I319 HydrophobicContact CD1-CG1 4.16Å; Y180-I319 HydrophobicContact CD2-CG1 4.22Å; Y180-I319 HydrophobicContact CD2-CG2 3.67Å; Y180-I319 HydrophobicContact CE2-CG2 3.75Å; Y180-I319 HydrophobicContact CG-CD1 4.15Å; Y180-I319 HydrophobicContact CG-CG1 3.99Å; Y180-I319 HydrophobicContact CG-CG2 4.3Å; Y180-D322 VanDerWaalsContact OH-CG 3.3Å; Y180-D322 PolarHBondContact OH-OD2 2.68Å; Y180-Q323 HydrophobicContact CE2-CG 4.37Å
181	I	98.8	Very high	97.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	110.3	160.3	-69.4	166.2	0	0	0	107.6	V152 A168 N169 Y170 M197 Q201 P303 V304 V305 V306	V152-I181 HydrophobicContact CG2-CB 4.44Å; V152-I181 HydrophobicContact CG2-CD1 4.12Å; V152-I181 HydrophobicContact CG2-CG1 3.92Å; V152-I181 HydrophobicContact CG2-CG2 3.71Å; A168-I181 HydrophobicContact CB-CG2 3.78Å; N169-I181 CarbonylContact O-C 3.51Å; N169-I181 WeakPolarHBondContact O-CA 3.39Å; Y170-I181 HydrophobicContact CD1-CD1 4.38Å; Y170-I181 HydrophobicContact CD1-CG1 3.73Å; Y170-I181 HydrophobicContact CE1-CD1 3.89Å; Y170-I181 HydrophobicContact CE1-CG1 3.75Å; I181-M197 HydrophobicContact CG2-CE 3.99Å; I181-M197 HydrophobicContact CG2-SD 3.71Å; I181-Q201 HydrophobicContact CD1-CB 3.98Å; I181-Q201 HydrophobicContact CD1-CG 3.85Å; I181-P303 HydrophobicContact CD1-CB 3.73Å; I181-P303 HydrophobicContact CD1-CG 3.65Å; I181-P303 HydrophobicContact CG1-CB 3.78Å; I181-P303 HydrophobicContact CG1-CG 4.25Å; I181-V304 PolarHBondContact N-O 3.37Å; I181-V305 HydrophobicContact CB-CG2 4.49Å; I181-V305 CarbonylContact O-C 3.45Å; I181-V305 WeakPolarHBondContact O-CA 3.21Å; I181-V306 PolarHBondContact O-N 3.05Å
182	A	98.9	Very high	97	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	117.8	172.3	0	0	0	0	0	109.9	A168 N169 I171 V306 I319 M351	A168-A182 CarbonylContact C-O 3.59Å; A168-A182 VanDerWaalsContact CA-O 3.29Å; A168-A182 WeakPolarHBondContact CA-O 3.36Å; N169-A182 PolarHBondContact N-O 2.97Å; N169-A182 PolarHBondContact O-N 3.38Å; I171-A182 HydrophobicContact CD1-CB 4.23Å; I171-A182 HydrophobicContact CG1-CB 3.6Å; A182-V306 WeakPolarHBondContact CA-O 3.33Å; A182-I319 HydrophobicContact CB-CD1 4.16Å; A182-M351 HydrophobicContact CB-CE 3.97Å; A182-M351 HydrophobicContact CB-SD 4.32Å
183	T	98.9	Very high	97.1	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	156.8	-176.1	-175	0	0	0	0	111.9	N167 F194 M197 V305 V306 H307 G311	N167-T183 WeakPolarHBondContact O-CA 3.28Å; N167-T183 PolarHBondContact O-OG1 3.26Å; N167-T183 VanDerWaalsContact O-OG1 3.04Å; T183-F194 HydrophobicContact CG2-CD2 4.31Å; T183-F194 HydrophobicContact CG2-CE2 3.95Å; T183-M197 HydrophobicContact CG2-CE 4.16Å; T183-V305 HydrophobicContact CG2-CG1 3.66Å; T183-V306 PolarHBondContact N-O 3.42Å; T183-V306 VanDerWaalsContact N-O 3.07Å; T183-H307 HydrophobicContact CG2-CB 3.69Å; T183-H307 WeakPolarHBondContact O-CA 3.39Å; T183-H307 WeakPolarHBondContact O-CB 3.02Å; T183-G311 WeakPolarHBondContact O-CA 3.25Å
184	Q	98.7	Very high	97.2	Very high	8 Å²	8	38.7 Å²	38.7	4%	0.037	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-63.6	159.4	168.8	73.3	-177.9	22.9	0	0	111.2	K138 N167 P186	K138-Q184 PolarHBondContact O-NE2 3.11Å; N167-Q184 HydrophobicContact CB-CG 4.15Å; N167-Q184 PolarHBondContact ND2-OE1 3.09Å; N167-Q184 PolarHBondContact O-N 2.85Å; Q184-P186 WeakPolarHBondContact O-CD 3.4Å
185	G	98.6	Very high	97.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-63.3	124.4	166.7	0	0	0	0	0	109.4	R140 C308 S309	R140-G185 PolarHBondContact NE-O 3.22Å; R140-G185 PolarHBondContact NH2-O 3.41Å; G185-C308 WeakPolarHBondContact CA-O 3.3Å; G185-C308 PolarHBondContact N-O 3.49Å; G185-S309 PolarHBondContact N-O 2.9Å
186	P	98.5	Very high	97.8	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.013	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-50.2	145.9	-178.4	-31.3	38	0	0	0	112.3	R140 Q184 F194 D221 Y223	R140-P186 PolarHBondContact NH2-O 2.94Å; Q184-P186 WeakPolarHBondContact O-CD 3.4Å; P186-F194 HydrophobicContact CB-CB 4.33Å; P186-F194 HydrophobicContact CB-CG 4.47Å; P186-F194 HydrophobicContact CG-CB 3.84Å; P186-F194 HydrophobicContact CG-CD1 4.11Å; P186-F194 HydrophobicContact CG-CD2 3.42Å; P186-F194 VanDerWaalsContact CG-CD2 3.42Å; P186-F194 HydrophobicContact CG-CE2 3.91Å; P186-F194 HydrophobicContact CG-CG 3.51Å; P186-F194 HydrophobicContact CG-CZ 4.46Å; P186-D221 WeakPolarHBondContact O-CB 3.47Å; P186-D221 PolarHBondContact O-N 2.95Å; P186-Y223 HydrophobicContact CB-CD1 4.14Å; P186-Y223 HydrophobicContact CB-CG 4.37Å; P186-Y223 HydrophobicContact CG-CD1 3.63Å; P186-Y223 HydrophobicContact CG-CE1 4.19Å; P186-Y223 HydrophobicContact CG-CG 3.95Å
187	M	98.2	Very high	98.1	Very high	22 Å²	22	31 Å²	31	11%	0.108	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-103.8	164.4	170.7	-58	-177.9	-61.2	0	0	108.6	T137 K138 R140 S189 T190 R191	T137-M187 VanDerWaalsContact O-CE 3.31Å; T137-M187 WeakPolarHBondContact O-CE 3.44Å; K138-M187 WeakPolarHBondContact O-CE 3.36Å; R140-M187 WeakPolarHBondContact CA-SD 3.22Å; R140-M187 HydrophobicContact CB-CG 4.18Å; R140-M187 HydrophobicContact CB-SD 3.71Å; R140-M187 HydrophobicContact CG-CG 4.45Å; R140-M187 HydrophobicContact CG-SD 4.21Å; M187-S189 PolarHBondContact O-N 3.21Å; M187-T190 WeakPolarHBondContact CB-OG1 3.2Å; M187-T190 HydrophobicContact CE-CG2 3.87Å; M187-T190 PolarHBondContact N-OG1 2.83Å; M187-T190 PolarHBondContact O-N 3.37Å; M187-T190 PolarHBondContact O-OG1 2.64Å; M187-R191 PolarHBondContact O-N 3.45Å; M187-R191 VanDerWaalsContact O-N 3.09Å
188	P	97.4	Very high	98.3	Very high	77 Å²	77	26.7 Å²	26.7	50%	0.5	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-35.5	175.9	-28.3	36.8	0	0	0	113.1	T190 D221	P188-T190 VanDerWaalsContact C-N 3.35Å; P188-T190 PolarHBondContact O-N 3.29Å; P188-D221 HydrophobicContact CG-CB 4.32Å
189	S	97.4	Very high	98.4	Very high	81 Å²	81	21 Å²	21	57%	0.566	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-5.5	177.9	56.3	0	0	0	0	115.7	M187	M187-S189 PolarHBondContact O-N 3.21Å
190	T	98.5	Very high	98.4	Very high	7 Å²	7	22.7 Å²	22.7	4%	0.043	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.3	5	-172.7	53.6	0	0	0	0	113.8	K138 M187 P188 D192 D193 F194	K138-T190 HydrophobicContact CB-CG2 3.9Å; K138-T190 HydrophobicContact CG-CG2 4.29Å; M187-T190 WeakPolarHBondContact CB-OG1 3.2Å; M187-T190 HydrophobicContact CE-CG2 3.87Å; M187-T190 PolarHBondContact N-OG1 2.83Å; M187-T190 PolarHBondContact O-N 3.37Å; M187-T190 PolarHBondContact O-OG1 2.64Å; P188-T190 VanDerWaalsContact C-N 3.35Å; P188-T190 PolarHBondContact O-N 3.29Å; T190-D192 VanDerWaalsContact C-N 3.3Å; T190-D192 PolarHBondContact O-N 3.36Å; T190-D193 PolarHBondContact O-N 2.73Å; T190-F194 WeakPolarHBondContact O-CB 3.47Å; T190-F194 PolarHBondContact O-N 3.21Å
191	R	98.2	Very high	98.4	Very high	85 Å²	85	24.8 Å²	24.8	32%	0.321	13%	0.13	S	C	.	.	H	α-helix	trans	-64.2	-34.6	176	64.3	-173	-169.3	176.1	0.3	112.5	M187 F194 W195 Y233	M187-R191 PolarHBondContact O-N 3.45Å; M187-R191 VanDerWaalsContact O-N 3.09Å; R191-F194 WeakPolarHBondContact O-CB 3.39Å; R191-F194 PolarHBondContact O-N 2.97Å; R191-W195 VanDerWaalsContact O-CD1 3.26Å; R191-W195 PolarHBondContact O-N 3.11Å; R191-W195 VanDerWaalsContact O-N 3.07Å; R191-Y233 HydrophobicContact CB-CD1 4.18Å; R191-Y233 HydrophobicContact CB-CE1 4.41Å; R191-Y233 HydrophobicContact CG-CD1 3.81Å; R191-Y233 HydrophobicContact CG-CE1 4.24Å
192	D	98.3	Very high	98.3	Very high	66 Å²	66	28.5 Å²	28.5	35%	0.353	15%	0.147	S	C	.	.	H	α-helix	trans	-67.9	-46.3	176.8	-65.3	5.4	0	0	0	110.3	T190 F194 W195 R196 Y233 G234	T190-D192 VanDerWaalsContact C-N 3.3Å; T190-D192 PolarHBondContact O-N 3.36Å; D192-F194 VanDerWaalsContact C-N 3.29Å; D192-F194 PolarHBondContact O-N 3.03Å; D192-W195 PolarHBondContact O-N 2.76Å; D192-R196 WeakPolarHBondContact O-CB 3.43Å; D192-R196 PolarHBondContact O-N 2.89Å; D192-Y233 WeakPolarHBondContact OD1-CA 3.38Å; D192-Y233 WeakPolarHBondContact OD1-CB 3.46Å; D192-G234 PolarHBondContact OD1-N 2.93Å; D192-G234 PolarHBondContact OD2-N 2.77Å
193	D	98.6	Very high	98.2	Very high	19 Å²	19	28.7 Å²	28.7	10%	0.102	15%	0.148	C	C	.	.	H	α-helix	trans	-59.2	-39.1	172.7	-69.6	-27.1	0	0	0	112.4	L154 I166 T190 R196 M197	L154-D193 HydrophobicContact CD1-CB 3.88Å; I166-D193 HydrophobicContact CD1-CB 4.18Å; T190-D193 PolarHBondContact O-N 2.73Å; D193-R196 PolarHBondContact O-N 3.11Å; D193-R196 IonicContact OD1-CZ 2.72Å; D193-R196 IonicContact OD1-NE 2.88Å; D193-R196 IonicContact OD1-NH2 3.05Å; D193-R196 PolarHBondContact OD1-NH2 3.42Å; D193-M197 WeakPolarHBondContact O-CB 3.22Å; D193-M197 PolarHBondContact O-N 3.08Å
194	F	98.9	Very high	98	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.009	16%	0.164	C	C	.	.	H	α-helix	trans	-62.5	-47.5	177.2	176.7	-89.6	0	0	0	111.9	T183 P186 T190 R191 D192 M197 V198 I206 Y223 V305	T183-F194 HydrophobicContact CG2-CD2 4.31Å; T183-F194 HydrophobicContact CG2-CE2 3.95Å; P186-F194 HydrophobicContact CB-CB 4.33Å; P186-F194 HydrophobicContact CB-CG 4.47Å; P186-F194 HydrophobicContact CG-CB 3.84Å; P186-F194 HydrophobicContact CG-CD1 4.11Å; P186-F194 HydrophobicContact CG-CD2 3.42Å; P186-F194 VanDerWaalsContact CG-CD2 3.42Å; P186-F194 HydrophobicContact CG-CE2 3.91Å; P186-F194 HydrophobicContact CG-CG 3.51Å; P186-F194 HydrophobicContact CG-CZ 4.46Å; T190-F194 WeakPolarHBondContact O-CB 3.47Å; T190-F194 PolarHBondContact O-N 3.21Å; R191-F194 WeakPolarHBondContact O-CB 3.39Å; R191-F194 PolarHBondContact O-N 2.97Å; D192-F194 VanDerWaalsContact C-N 3.29Å; D192-F194 PolarHBondContact O-N 3.03Å; F194-M197 HydrophobicContact CD2-CE 4.07Å; F194-M197 HydrophobicContact CE2-CE 4.27Å; F194-M197 WeakPolarHBondContact O-CB 3.31Å; F194-M197 PolarHBondContact O-N 3.32Å; F194-V198 HydrophobicContact CD1-CG2 4.22Å; F194-V198 HydrophobicContact CE1-CG2 3.84Å; F194-V198 HydrophobicContact CZ-CG2 4.13Å; F194-V198 WeakPolarHBondContact O-CG2 3.28Å; F194-V198 PolarHBondContact O-N 3.42Å; F194-I206 HydrophobicContact CE1-CD1 3.99Å; F194-I206 HydrophobicContact CZ-CD1 4.09Å; F194-I206 HydrophobicContact CZ-CG1 4.44Å; F194-I206 HydrophobicContact CZ-CG2 4.12Å; F194-Y223 AromaticContact CD1-CD2 3.86Å; F194-Y223 HydrophobicContact CD1-CD2 3.86Å; F194-Y223 HydrophobicContact CD1-CE2 4.25Å; F194-Y223 HydrophobicContact CD1-CG 4.33Å; F194-Y223 AromaticContact CE1-CD2 3.48Å; F194-Y223 HydrophobicContact CE1-CD2 3.48Å; F194-Y223 VanDerWaalsContact CE1-CD2 3.48Å; F194-Y223 AromaticContact CE1-CE2 3.41Å; F194-Y223 HydrophobicContact CE1-CE2 3.41Å; F194-Y223 VanDerWaalsContact CE1-CE2 3.41Å; F194-Y223 HydrophobicContact CE1-CG 4.25Å; F194-Y223 HydrophobicContact CZ-CD2 4.22Å; F194-Y223 AromaticContact CZ-CE2 3.8Å; F194-Y223 HydrophobicContact CZ-CE2 3.8Å; F194-V305 HydrophobicContact CE2-CG1 3.75Å; F194-V305 HydrophobicContact CZ-CG1 4.02Å
195	W	98.7	Very high	97.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-70.2	-34.9	178.1	-76.8	113.5	0	0	0	112.7	R191 D192 M197 V198 W199 I206 Y223 Y233 V236 V238 F254 L256	R191-W195 VanDerWaalsContact O-CD1 3.26Å; R191-W195 PolarHBondContact O-N 3.11Å; R191-W195 VanDerWaalsContact O-N 3.07Å; D192-W195 PolarHBondContact O-N 2.76Å; W195-M197 VanDerWaalsContact C-N 3.33Å; W195-M197 PolarHBondContact O-N 3.19Å; W195-V198 HydrophobicContact CE3-CB 4.14Å; W195-V198 HydrophobicContact CE3-CG1 4.12Å; W195-V198 HydrophobicContact CE3-CG2 4.35Å; W195-V198 HydrophobicContact CZ3-CG1 4.11Å; W195-V198 PolarHBondContact O-N 3.45Å; W195-W199 WeakPolarHBondContact O-CB 3.45Å; W195-W199 PolarHBondContact O-N 2.87Å; W195-I206 HydrophobicContact CH2-CD1 3.97Å; W195-I206 HydrophobicContact CZ3-CD1 4.03Å; W195-Y223 AromaticContact CE2-CD2 3.96Å; W195-Y223 VanDerWaalsContact CE2-O 3.3Å; W195-Y223 AromaticContact CZ2-CD2 3.72Å; W195-Y223 HydrophobicContact CZ2-CD2 3.72Å; W195-Y223 HydrophobicContact CZ2-CE2 4.11Å; W195-Y223 WeakPolarHBondContact CZ2-O 3.35Å; W195-Y223 AromaticContact NE1-CD2 3.96Å; W195-Y223 PolarHBondContact NE1-O 3Å; W195-Y233 AromaticContact CD1-CD1 3.88Å; W195-Y233 AromaticContact CD1-CD2 3.29Å; W195-Y233 AromaticContact CD1-CE2 3.78Å; W195-Y233 AromaticContact CD1-CG 3.31Å; W195-Y233 HydrophobicContact CG-CD2 4.02Å; W195-Y233 HydrophobicContact CG-CG 4.2Å; W195-Y233 AromaticContact NE1-CD2 3.43Å; W195-Y233 AromaticContact NE1-CE2 3.39Å; W195-Y233 AromaticContact NE1-CG 3.81Å; W195-Y233 AromaticContact NE1-CZ 3.74Å; W195-V236 HydrophobicContact CB-CB 4.29Å; W195-V236 HydrophobicContact CB-CG1 4.48Å; W195-V238 HydrophobicContact CD2-CG2 3.6Å; W195-V238 HydrophobicContact CE3-CG2 3.81Å; W195-V238 HydrophobicContact CG-CG2 4.06Å; W195-V238 HydrophobicContact CH2-CG1 3.76Å; W195-V238 HydrophobicContact CH2-CG2 4.2Å; W195-V238 HydrophobicContact CZ2-CB 4.45Å; W195-V238 HydrophobicContact CZ2-CG1 3.74Å; W195-V238 HydrophobicContact CZ2-CG2 4Å; W195-V238 HydrophobicContact CZ3-CG1 4.31Å; W195-V238 HydrophobicContact CZ3-CG2 4.11Å; W195-F254 AromaticContact CH2-CD2 3.68Å; W195-F254 HydrophobicContact CH2-CD2 3.68Å; W195-F254 AromaticContact CH2-CE2 3.9Å; W195-F254 HydrophobicContact CH2-CE2 3.9Å; W195-F254 HydrophobicContact CH2-CG 4.31Å; W195-F254 HydrophobicContact CZ2-CE2 4.46Å; W195-F254 HydrophobicContact CZ3-CD2 4.5Å; W195-L256 HydrophobicContact CE3-CD2 3.96Å; W195-L256 HydrophobicContact CE3-CG 4.33Å; W195-L256 HydrophobicContact CZ3-CD1 4.1Å; W195-L256 HydrophobicContact CZ3-CD2 4Å; W195-L256 HydrophobicContact CZ3-CG 4.15Å
196	R	98.5	Very high	97.9	Very high	32 Å²	32	31.3 Å²	31.3	12%	0.121	16%	0.162	C	C	.	.	H	α-helix	trans	-59.8	-42.7	169.5	-178.6	162.2	56.7	159.9	-3.2	111.6	L154 S163 D192 D193 W199 E200	L154-R196 HydrophobicContact CD2-CG 4.47Å; S163-R196 PolarHBondContact O-NH2 2.88Å; D192-R196 WeakPolarHBondContact O-CB 3.43Å; D192-R196 PolarHBondContact O-N 2.89Å; D193-R196 PolarHBondContact O-N 3.11Å; D193-R196 IonicContact OD1-CZ 2.72Å; D193-R196 IonicContact OD1-NE 2.88Å; D193-R196 IonicContact OD1-NH2 3.05Å; D193-R196 PolarHBondContact OD1-NH2 3.42Å; R196-W199 PolarHBondContact O-N 3.2Å; R196-E200 WeakPolarHBondContact CD-OE1 3.45Å; R196-E200 HydrophobicContact CG-CG 4.26Å; R196-E200 WeakPolarHBondContact CG-OE1 3.37Å; R196-E200 WeakPolarHBondContact O-CB 3.47Å; R196-E200 WeakPolarHBondContact O-CG 3.49Å; R196-E200 PolarHBondContact O-N 2.99Å
197	M	98.8	Very high	97.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.6	-51.1	173.3	-172.1	-175.3	60.8	0	0	112	V152 L154 I166 A168 I181 T183 D193 F194 W195 W199 E200 Q201 V305	V152-M197 HydrophobicContact CB-SD 4.28Å; V152-M197 HydrophobicContact CG1-CG 3.85Å; V152-M197 HydrophobicContact CG1-SD 4.09Å; V152-M197 HydrophobicContact CG2-SD 4.32Å; L154-M197 HydrophobicContact CD2-CB 3.73Å; L154-M197 HydrophobicContact CD2-CG 4.21Å; I166-M197 HydrophobicContact CD1-CB 3.98Å; I166-M197 HydrophobicContact CD1-CE 4.18Å; I166-M197 HydrophobicContact CD1-CG 4.44Å; I166-M197 HydrophobicContact CD1-SD 3.83Å; I166-M197 HydrophobicContact CG2-SD 4.06Å; A168-M197 HydrophobicContact CB-SD 3.74Å; I181-M197 HydrophobicContact CG2-CE 3.99Å; I181-M197 HydrophobicContact CG2-SD 3.71Å; T183-M197 HydrophobicContact CG2-CE 4.16Å; D193-M197 WeakPolarHBondContact O-CB 3.22Å; D193-M197 PolarHBondContact O-N 3.08Å; F194-M197 HydrophobicContact CD2-CE 4.07Å; F194-M197 HydrophobicContact CE2-CE 4.27Å; F194-M197 WeakPolarHBondContact O-CB 3.31Å; F194-M197 PolarHBondContact O-N 3.32Å; W195-M197 VanDerWaalsContact C-N 3.33Å; W195-M197 PolarHBondContact O-N 3.19Å; M197-W199 PolarHBondContact O-N 2.8Å; M197-E200 PolarHBondContact O-N 2.9Å; M197-Q201 HydrophobicContact CG-CG 4.29Å; M197-Q201 VanDerWaalsContact O-CB 3.3Å; M197-Q201 WeakPolarHBondContact O-CB 3.39Å; M197-Q201 WeakPolarHBondContact O-CG 3.49Å; M197-Q201 PolarHBondContact O-N 2.91Å; M197-V305 HydrophobicContact CE-CG1 4.07Å; M197-V305 HydrophobicContact CE-CG2 4.12Å
198	V	98.7	Very high	97.9	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.012	16%	0.156	C	C	.	.	H	α-helix	trans	-56.8	-41.8	178.5	171.4	0	0	0	0	110.4	F194 W195 Q202 C203 I206 L256 V265 V305	F194-V198 HydrophobicContact CD1-CG2 4.22Å; F194-V198 HydrophobicContact CE1-CG2 3.84Å; F194-V198 HydrophobicContact CZ-CG2 4.13Å; F194-V198 WeakPolarHBondContact O-CG2 3.28Å; F194-V198 PolarHBondContact O-N 3.42Å; W195-V198 HydrophobicContact CE3-CB 4.14Å; W195-V198 HydrophobicContact CE3-CG1 4.12Å; W195-V198 HydrophobicContact CE3-CG2 4.35Å; W195-V198 HydrophobicContact CZ3-CG1 4.11Å; W195-V198 PolarHBondContact O-N 3.45Å; V198-Q202 PolarHBondContact O-N 2.97Å; V198-C203 HydrophobicContact CG1-CB 4.15Å; V198-C203 PolarHBondContact O-N 3.47Å; V198-I206 HydrophobicContact CG2-CD1 4.12Å; V198-I206 HydrophobicContact CG2-CG1 4.4Å; V198-L256 HydrophobicContact CG1-CD2 3.75Å; V198-V265 HydrophobicContact CG1-CG1 4.42Å; V198-V265 HydrophobicContact CG1-CG2 4.09Å; V198-V305 HydrophobicContact CG2-CG2 4.08Å
199	W	98.4	Very high	98	Very high	23 Å²	23	26.5 Å²	26.5	9%	0.087	13%	0.132	C	C	.	.	H	α-helix	trans	-66.9	-57.8	177.4	-177.4	-91.5	0	0	0	112.4	W195 R196 M197 Q201 Q202 V236 L256 K258 V261 R263	W195-W199 WeakPolarHBondContact O-CB 3.45Å; W195-W199 PolarHBondContact O-N 2.87Å; R196-W199 PolarHBondContact O-N 3.2Å; M197-W199 PolarHBondContact O-N 2.8Å; W199-Q201 VanDerWaalsContact C-N 3.29Å; W199-Q201 PolarHBondContact O-N 3.05Å; W199-Q202 PolarHBondContact O-N 3.44Å; W199-V236 HydrophobicContact CB-CG2 4.08Å; W199-V236 HydrophobicContact CE3-CG1 4.41Å; W199-V236 HydrophobicContact CG-CG2 4.32Å; W199-L256 HydrophobicContact CE3-CB 3.96Å; W199-L256 HydrophobicContact CE3-CD2 4.27Å; W199-L256 HydrophobicContact CZ3-CB 3.91Å; W199-K258 HydrophobicContact CD2-CB 4.13Å; W199-K258 HydrophobicContact CD2-CD 4.12Å; W199-K258 HydrophobicContact CE3-CB 4.22Å; W199-K258 HydrophobicContact CG-CD 4.18Å; W199-K258 HydrophobicContact CH2-CB 3.71Å; W199-K258 HydrophobicContact CZ2-CB 3.6Å; W199-K258 HydrophobicContact CZ2-CD 4.34Å; W199-K258 HydrophobicContact CZ2-CG 4.03Å; W199-K258 HydrophobicContact CZ3-CB 4.02Å; W199-V261 HydrophobicContact CH2-CB 3.89Å; W199-V261 HydrophobicContact CH2-CG1 3.93Å; W199-V261 WeakPolarHBondContact CH2-O 3.37Å; W199-V261 HydrophobicContact CZ2-CB 4.07Å; W199-V261 HydrophobicContact CZ2-CG1 4.2Å; W199-R263 HydrophobicContact CH2-CG 4.35Å; W199-R263 HydrophobicContact CZ3-CB 4.38Å; W199-R263 HydrophobicContact CZ3-CG 4.12Å; W199-R263 PolarHBondContact O-NH1 3.49Å
200	E	98.1	Very high	98	Very high	47 Å²	47	22.8 Å²	22.8	22%	0.22	11%	0.106	C	C	.	.	H	α-helix	trans	-61.3	-38.5	-175.1	-71.8	179.4	-163.4	0	0	112.1	L154 S155 R196 M197 Q202	L154-E200 WeakPolarHBondContact CA-OE2 3.4Å; S155-E200 WeakPolarHBondContact CB-OE1 3.43Å; S155-E200 PolarHBondContact N-OE2 3.46Å; S155-E200 VanDerWaalsContact OG-CD 3.23Å; S155-E200 PolarHBondContact OG-OE1 2.9Å; S155-E200 PolarHBondContact OG-OE2 2.57Å; R196-E200 WeakPolarHBondContact CD-OE1 3.45Å; R196-E200 HydrophobicContact CG-CG 4.26Å; R196-E200 WeakPolarHBondContact CG-OE1 3.37Å; R196-E200 WeakPolarHBondContact O-CB 3.47Å; R196-E200 WeakPolarHBondContact O-CG 3.49Å; R196-E200 PolarHBondContact O-N 2.99Å; M197-E200 PolarHBondContact O-N 2.9Å; E200-Q202 PolarHBondContact O-N 3.48Å
201	Q	97.6	Very high	97.8	Very high	45 Å²	45	27.4 Å²	27.4	21%	0.21	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-0.8	178.7	-57.4	-50.7	-38.9	0	0	113.7	V152 Y170 I181 M197 W199 C203 P303	V152-Q201 HydrophobicContact CG1-CG 4.14Å; Y170-Q201 PolarHBondContact OH-NE2 2.99Å; Y170-Q201 PolarHBondContact OH-OE1 3.32Å; I181-Q201 HydrophobicContact CD1-CB 3.98Å; I181-Q201 HydrophobicContact CD1-CG 3.85Å; M197-Q201 HydrophobicContact CG-CG 4.29Å; M197-Q201 VanDerWaalsContact O-CB 3.3Å; M197-Q201 WeakPolarHBondContact O-CB 3.39Å; M197-Q201 WeakPolarHBondContact O-CG 3.49Å; M197-Q201 PolarHBondContact O-N 2.91Å; W199-Q201 VanDerWaalsContact C-N 3.29Å; W199-Q201 PolarHBondContact O-N 3.05Å; Q201-C203 PolarHBondContact O-N 3.49Å; Q201-P303 HydrophobicContact CB-CG 3.94Å
202	Q	96.5	Very high	97.8	Very high	78 Å²	78	24.7 Å²	24.7	36%	0.364	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	38.1	-179.7	-50.5	-174.7	-57.2	0	0	112.1	V198 W199 E200 L204 K302	V198-Q202 PolarHBondContact O-N 2.97Å; W199-Q202 PolarHBondContact O-N 3.44Å; E200-Q202 PolarHBondContact O-N 3.48Å; Q202-L204 PolarHBondContact O-N 2.97Å; Q202-K302 HydrophobicContact CB-CD 4.07Å; Q202-K302 WeakPolarHBondContact O-CB 3.49Å
203	C	96.8	Very high	97.6	Very high	4 Å²	4	25.5 Å²	25.5	3%	0.027	12%	0.124	C	C	.	.			trans	-61.8	136	-177.6	-60.3	0	0	0	0	109.8	V198 Q201 V265 P303 V305	V198-C203 HydrophobicContact CG1-CB 4.15Å; V198-C203 PolarHBondContact O-N 3.47Å; Q201-C203 PolarHBondContact O-N 3.49Å; C203-V265 VanDerWaalsContact O-CG2 3.32Å; C203-V265 WeakPolarHBondContact O-CG2 3.49Å; C203-P303 WeakPolarHBondContact CA-O 3.29Å; C203-P303 WeakPolarHBondContact CB-O 3.25Å; C203-V305 HydrophobicContact CB-CG2 4.02Å; C203-V305 VanDerWaalsContact SG-CG2 3.54Å
204	L	94	Very high	97.4	Very high	66 Å²	66	24.8 Å²	24.8	35%	0.346	12%	0.12	S	C	.	.			trans	-94.3	-17.3	177.4	-62	-176.2	0	0	0	113	Q202 V265 K266 V300 K302	Q202-L204 PolarHBondContact O-N 2.97Å; L204-V265 WeakPolarHBondContact O-CA 3.33Å; L204-K266 PolarHBondContact O-N 3.42Å; L204-V300 HydrophobicContact CD1-CB 3.72Å; L204-V300 HydrophobicContact CD1-CG1 3.46Å; L204-V300 VanDerWaalsContact CD1-CG1 3.46Å; L204-V300 HydrophobicContact CD1-CG2 4.14Å; L204-V300 HydrophobicContact CG-CG1 4.37Å; L204-K302 HydrophobicContact CG-CB 4.36Å
205	A	97.6	Very high	97.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	152.1	-175.9	0	0	0	0	0	113.4	K266 F268 F292 I296 V304 V305	A205-K266 CarbonylContact C-O 3.5Å; A205-K266 WeakPolarHBondContact CA-O 3.21Å; A205-F268 HydrophobicContact CB-CD2 4.47Å; A205-F268 HydrophobicContact CB-CE2 4.14Å; A205-F292 HydrophobicContact CB-CE2 4.39Å; A205-I296 HydrophobicContact CB-CD1 3.47Å; A205-I296 VanDerWaalsContact CB-CD1 3.47Å; A205-I296 HydrophobicContact CB-CG1 4.08Å; A205-V304 HydrophobicContact CB-CG1 4.08Å; A205-V304 HydrophobicContact CB-CG2 4.23Å; A205-V305 PolarHBondContact O-N 2.87Å
206	I	98.6	Very high	96.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128.5	173.1	-58.1	165.3	0	0	0	107.6	F194 W195 V198 Y223 V265 K266 N267 F268 V305	F194-I206 HydrophobicContact CE1-CD1 3.99Å; F194-I206 HydrophobicContact CZ-CD1 4.09Å; F194-I206 HydrophobicContact CZ-CG1 4.44Å; F194-I206 HydrophobicContact CZ-CG2 4.12Å; W195-I206 HydrophobicContact CH2-CD1 3.97Å; W195-I206 HydrophobicContact CZ3-CD1 4.03Å; V198-I206 HydrophobicContact CG2-CD1 4.12Å; V198-I206 HydrophobicContact CG2-CG1 4.4Å; I206-Y223 HydrophobicContact CD1-CE2 4.44Å; I206-Y223 WeakPolarHBondContact CG2-OH 3.42Å; I206-V265 HydrophobicContact CD1-CG1 3.86Å; I206-V265 HydrophobicContact CG1-CG1 3.89Å; I206-K266 PolarHBondContact N-O 3.26Å; I206-N267 WeakPolarHBondContact CG2-ND2 3.45Å; I206-N267 CarbonylContact O-C 3.57Å; I206-N267 VanDerWaalsContact O-CA 3.32Å; I206-N267 WeakPolarHBondContact O-CA 3.28Å; I206-F268 PolarHBondContact O-N 3.06Å; I206-V305 CarbonylContact C-O 3.53Å; I206-V305 VanDerWaalsContact CA-O 3.31Å; I206-V305 WeakPolarHBondContact CA-O 3.43Å; I206-V305 HydrophobicContact CG1-CB 4.17Å; I206-V305 HydrophobicContact CG2-CB 4.44Å; I206-V305 HydrophobicContact CG2-CG1 4.43Å
207	V	98.7	Very high	96.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	111.3	172.4	-178.7	0	0	0	0	108.1	L209 F268 F288 F292 V304 V305 V306 H307 F318	V207-L209 HydrophobicContact CG1-CD1 4.31Å; V207-L209 HydrophobicContact CG1-CD2 4.02Å; V207-L209 HydrophobicContact CG1-CG 3.97Å; V207-F268 CarbonylContact C-O 3.39Å; V207-F268 WeakPolarHBondContact CA-O 3.45Å; V207-F268 HydrophobicContact CG2-CB 4.46Å; V207-F288 HydrophobicContact CG1-CE1 3.9Å; V207-F288 HydrophobicContact CG1-CZ 4.17Å; V207-F292 HydrophobicContact CG2-CD2 3.8Å; V207-F292 HydrophobicContact CG2-CE2 3.7Å; V207-F292 HydrophobicContact CG2-CZ 4.36Å; V207-V304 HydrophobicContact CG2-CG1 3.91Å; V207-V305 PolarHBondContact N-O 2.83Å; V207-V306 HydrophobicContact CB-CG1 4.26Å; V207-V306 HydrophobicContact CB-CG2 4.23Å; V207-V306 HydrophobicContact CG1-CG1 4.41Å; V207-V306 HydrophobicContact CG2-CG2 4.49Å; V207-V306 WeakPolarHBondContact O-CA 3.5Å; V207-H307 PolarHBondContact O-N 2.87Å; V207-F318 HydrophobicContact CB-CE1 4.17Å; V207-F318 HydrophobicContact CB-CZ 4.26Å; V207-F318 HydrophobicContact CG1-CD1 4.1Å; V207-F318 HydrophobicContact CG1-CD2 4.08Å; V207-F318 HydrophobicContact CG1-CE1 3.88Å; V207-F318 HydrophobicContact CG1-CE2 3.84Å; V207-F318 HydrophobicContact CG1-CG 4.2Å; V207-F318 HydrophobicContact CG1-CZ 3.75Å; V207-F318 HydrophobicContact CG2-CE1 3.87Å; V207-F318 HydrophobicContact CG2-CZ 3.74Å
208	N	98.5	Very high	96.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	116.5	177.6	-179.6	-2.6	0	0	0	109.7	T210 F268 H269 F270 H307	N208-T210 PolarHBondContact OD1-N 3.43Å; N208-T210 VanDerWaalsContact OD1-N 3.09Å; N208-T210 PolarHBondContact OD1-O 3.1Å; N208-F268 PolarHBondContact N-O 2.86Å; N208-H269 HydrophobicContact CB-CB 4.25Å; N208-H269 VanDerWaalsContact CG-CD2 3.5Å; N208-H269 PolarHBondContact ND2-CD2 3.32Å; N208-H269 PolarHBondContact ND2-NE2 3.32Å; N208-H269 CarbonylContact O-C 3.46Å; N208-H269 WeakPolarHBondContact O-CA 3.31Å; N208-F270 PolarHBondContact O-N 2.87Å; N208-H307 VanDerWaalsContact CB-NE2 3.28Å; N208-H307 WeakPolarHBondContact CB-NE2 3.14Å; N208-H307 VanDerWaalsContact CG-NE2 3.27Å; N208-H307 PolarHBondContact OD1-CE1 2.91Å
209	L	98.4	Very high	96.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.246	C	C	.	.			trans	-107.6	22.8	-174.8	-60.6	155.3	0	0	0	112.9	V207 F270 W273 F288 V306 H307 C308 R314 F318	V207-L209 HydrophobicContact CG1-CD1 4.31Å; V207-L209 HydrophobicContact CG1-CD2 4.02Å; V207-L209 HydrophobicContact CG1-CG 3.97Å; L209-F270 HydrophobicContact CD2-CB 3.99Å; L209-W273 HydrophobicContact CD2-CE3 4.42Å; L209-W273 HydrophobicContact CD2-CZ3 4.34Å; L209-F288 HydrophobicContact CD2-CE1 4.16Å; L209-V306 HydrophobicContact CD1-CG1 3.79Å; L209-H307 PolarHBondContact N-O 3.14Å; L209-C308 HydrophobicContact CB-CB 4.13Å; L209-R314 HydrophobicContact CB-CB 3.91Å; L209-R314 HydrophobicContact CD1-CB 4.34Å; L209-R314 WeakPolarHBondContact CD1-O 3.37Å; L209-R314 WeakPolarHBondContact O-CD 3.4Å; L209-R314 PolarHBondContact O-NH1 2.85Å; L209-F318 HydrophobicContact CD1-CB 3.49Å; L209-F318 VanDerWaalsContact CD1-CB 3.49Å; L209-F318 HydrophobicContact CD1-CG 4.02Å; L209-F318 HydrophobicContact CD2-CB 4.1Å; L209-F318 HydrophobicContact CD2-CD2 4.1Å; L209-F318 HydrophobicContact CD2-CG 4.25Å; L209-F318 HydrophobicContact CG-CB 4.44Å
210	T	96.8	Very high	96.3	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.012	24%	0.242	C	C	.	.	S	Bend	trans	-146.2	148.5	-179.1	-157.6	0	0	0	0	111.5	N208 E214 K219 C220 H269 C308 R314	N208-T210 PolarHBondContact OD1-N 3.43Å; N208-T210 VanDerWaalsContact OD1-N 3.09Å; N208-T210 PolarHBondContact OD1-O 3.1Å; T210-E214 PolarHBondContact OG1-OE1 3.05Å; T210-K219 HydrophobicContact CG2-CB 4.27Å; T210-K219 WeakPolarHBondContact OG1-CB 3.46Å; T210-C220 HydrophobicContact CG2-CB 3.73Å; T210-H269 PolarHBondContact O-NE2 2.99Å; T210-C308 VanDerWaalsContact CG2-C 3.46Å; T210-C308 WeakPolarHBondContact CG2-O 3.38Å; T210-R314 PolarHBondContact OG1-NH1 3.39Å; T210-R314 VanDerWaalsContact OG1-NH1 3.14Å
211	R	96.1	Very high	96.3	Very high	104 Å²	104	47.9 Å²	47.9	39%	0.392	24%	0.24	S	C	.	.			trans	-76	153	163.5	-65.1	177	-66.3	167.3	0.7	108.6	V213 E214 K219 D275	R211-V213 PolarHBondContact O-N 3.44Å; R211-E214 HydrophobicContact CB-CG 4.02Å; R211-E214 PolarHBondContact N-OE1 2.97Å; R211-E214 VanDerWaalsContact N-OE1 3.09Å; R211-K219 WeakPolarHBondContact O-CB 3.35Å; R211-D275 IonicContact CZ-OD1 3.48Å; R211-D275 IonicContact NH2-OD1 2.78Å; R211-D275 PolarHBondContact NH2-OD1 3.41Å; R211-D275 IonicContact NH2-OD2 2.66Å
212	C	96.5	Very high	96.2	Very high	28 Å²	28	48.2 Å²	48.2	19%	0.189	24%	0.241	C	C	.	.	S	Bend	trans	-58.5	-38.9	177.7	-60.2	0	0	0	0	111.4	E218 K219 C220 W224	C212-E218 CarbonylContact O-C 3.56Å; C212-E218 WeakPolarHBondContact O-CA 3.35Å; C212-K219 PolarHBondContact O-N 2.81Å; C212-C220 WeakPolarHBondContact CA-O 3.07Å; C212-C220 WeakPolarHBondContact CB-O 3.21Å; C212-C220 PolarHBondContact O-N 3.2Å; C212-W224 VanDerWaalsContact SG-CH2 3.51Å
213	V	95.2	Very high	96.2	Very high	84 Å²	84	44.5 Å²	44.5	51%	0.509	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.9	176.3	-177.4	0	0	0	0	110.2	R211 R217	R211-V213 PolarHBondContact O-N 3.44Å; V213-R217 WeakPolarHBondContact CA-O 3.32Å
214	E	94.4	Very high	96.3	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.014	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	121.4	179.5	-74.9	-176.9	-165.7	0	0	108.4	T210 R211 G216 R217 K219 D275 R314	T210-E214 PolarHBondContact OG1-OE1 3.05Å; R211-E214 HydrophobicContact CB-CG 4.02Å; R211-E214 PolarHBondContact N-OE1 2.97Å; R211-E214 VanDerWaalsContact N-OE1 3.09Å; E214-G216 PolarHBondContact O-N 2.85Å; E214-R217 PolarHBondContact N-O 3.3Å; E214-R217 PolarHBondContact O-N 3.23Å; E214-K219 HydrophobicContact CB-CD 4.36Å; E214-K219 HydrophobicContact CB-CG 3.68Å; E214-K219 HydrophobicContact CG-CG 3.88Å; E214-D275 HydrophobicContact CB-CB 4.24Å; E214-D275 VanDerWaalsContact CB-OD1 3.27Å; E214-D275 WeakPolarHBondContact CB-OD1 3.32Å; E214-D275 WeakPolarHBondContact CG-OD1 3.43Å; E214-R314 IonicContact OE1-CZ 2.63Å; E214-R314 IonicContact OE1-NH1 3.56Å; E214-R314 PolarHBondContact OE1-NH1 3.34Å; E214-R314 IonicContact OE1-NH2 2.9Å; E214-R314 IonicContact OE2-CZ 2.87Å; E214-R314 IonicContact OE2-NH1 2.91Å; E214-R314 PolarHBondContact OE2-NH1 3.09Å; E214-R314 IonicContact OE2-NH2 3.09Å; E214-R314 PolarHBondContact OE2-NH2 3.35Å
215	K	91.2	Very high	96.3	Very high	151 Å²	151	42 Å²	42	66%	0.657	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.4	46	-172.9	-83.3	164.6	-171.3	-155.5	0	113.5	R217 D275 F276	K215-R217 PolarHBondContact O-N 3.15Å; K215-D275 WeakPolarHBondContact CB-OD2 3.38Å; K215-D275 HydrophobicContact CD-CB 3.91Å; K215-D275 WeakPolarHBondContact CD-OD2 3.48Å; K215-D275 HydrophobicContact CG-CB 4.45Å; K215-D275 WeakPolarHBondContact CG-OD2 3.47Å; K215-D275 PolarHBondContact N-OD2 3.4Å; K215-F276 HydrophobicContact CD-CD2 4.06Å; K215-F276 HydrophobicContact CD-CE2 3.57Å; K215-F276 VanDerWaalsContact NZ-CD2 3.3Å
216	G	92.3	Very high	95.7	Very high	73 Å²	73	46.9 Å²	46.9	75%	0.753	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.5	8.3	178.1	0	0	0	0	0	115	E214	E214-G216 PolarHBondContact O-N 2.85Å
217	R	94	Very high	94.6	Very high	184 Å²	184	54.5 Å²	54.5	69%	0.694	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.8	175.4	-62	-174.3	-177.5	-171.7	0.5	110.1	V213 E214 K215 K219	V213-R217 WeakPolarHBondContact CA-O 3.32Å; E214-R217 PolarHBondContact N-O 3.3Å; E214-R217 PolarHBondContact O-N 3.23Å; K215-R217 PolarHBondContact O-N 3.15Å; R217-K219 PolarHBondContact O-N 2.78Å
218	E	96.1	Very high	93.4	Very high	98 Å²	98	57.1 Å²	57.1	46%	0.458	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	124.8	170.5	-167	-155	119.7	0	0	109.9	R140 C212	R140-E218 IonicContact CZ-OE1 3.38Å; R140-E218 IonicContact NH1-OE1 2.86Å; R140-E218 PolarHBondContact NH1-OE1 2.76Å; R140-E218 IonicContact NH2-OE1 2.89Å; R140-E218 PolarHBondContact NH2-OE1 2.81Å; C212-E218 CarbonylContact O-C 3.56Å; C212-E218 WeakPolarHBondContact O-CA 3.35Å
219	K	97	Very high	92.8	Very high	53 Å²	53	65.2 Å²	65.2	23%	0.23	33%	0.333	C	S	.	.	S	Bend	trans	-105.4	-32.3	176.4	-62.3	-57.3	-172.5	172	0	112	R140 T210 R211 C212 E214 R217 S309	R140-K219 PolarHBondContact NE-O 3.08Å; T210-K219 HydrophobicContact CG2-CB 4.27Å; T210-K219 WeakPolarHBondContact OG1-CB 3.46Å; R211-K219 WeakPolarHBondContact O-CB 3.35Å; C212-K219 PolarHBondContact O-N 2.81Å; E214-K219 HydrophobicContact CB-CD 4.36Å; E214-K219 HydrophobicContact CB-CG 3.68Å; E214-K219 HydrophobicContact CG-CG 3.88Å; R217-K219 PolarHBondContact O-N 2.78Å; K219-S309 VanDerWaalsContact O-CA 3.27Å; K219-S309 WeakPolarHBondContact O-CA 3.29Å; K219-S309 VanDerWaalsContact O-CB 3.3Å; K219-S309 WeakPolarHBondContact O-CB 3.4Å; K219-S309 PolarHBondContact O-OG 2.97Å
220	C	97.7	Very high	92.6	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.007	35%	0.349	C	S	.	.	S	Bend	trans	-154.9	136.2	-177	-176.1	0	0	0	0	107.5	T210 C212	T210-C220 HydrophobicContact CG2-CB 3.73Å; C212-C220 WeakPolarHBondContact CA-O 3.07Å; C212-C220 WeakPolarHBondContact CB-O 3.21Å; C212-C220 PolarHBondContact O-N 3.2Å
221	D	97.5	Very high	92.6	Very high	32 Å²	32	70.6 Å²	70.6	17%	0.171	36%	0.363	C	S	.	.			trans	-70.3	153.6	168.9	-174.1	45.4	0	0	0	109.9	P186 P188 Y223	P186-D221 WeakPolarHBondContact O-CB 3.47Å; P186-D221 PolarHBondContact O-N 2.95Å; P188-D221 HydrophobicContact CG-CB 4.32Å; D221-Y223 PolarHBondContact O-N 3.09Å
222	Q	96.2	Very high	92.6	Very high	52 Å²	52	71.1 Å²	71.1	24%	0.243	37%	0.372	C	S	.	.			trans	-79.5	91.2	175.6	-177.4	163.5	-2.3	0	0	110.2	W224 L226	Q222-W224 HydrophobicContact CG-CD2 4.02Å; Q222-W224 HydrophobicContact CG-CE3 4.38Å; Q222-W224 HydrophobicContact CG-CG 4.43Å; Q222-W224 HydrophobicContact CG-CH2 4.49Å; Q222-W224 HydrophobicContact CG-CZ2 4.13Å; Q222-W224 WeakPolarHBondContact CG-O 3.48Å; Q222-W224 VanDerWaalsContact NE2-NE1 3.16Å; Q222-W224 PolarHBondContact NE2-O 2.88Å; Q222-W224 PolarHBondContact O-N 2.91Å; Q222-L226 VanDerWaalsContact NE2-CB 3.26Å
223	Y	97.6	Very high	92.6	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	36%	0.363	C	S	.	.			trans	-84.5	15.7	-179.8	65.7	-92.5	0	0	0	113.7	P186 F194 W195 I206 D221 Y233 N267 H307	P186-Y223 HydrophobicContact CB-CD1 4.14Å; P186-Y223 HydrophobicContact CB-CG 4.37Å; P186-Y223 HydrophobicContact CG-CD1 3.63Å; P186-Y223 HydrophobicContact CG-CE1 4.19Å; P186-Y223 HydrophobicContact CG-CG 3.95Å; F194-Y223 AromaticContact CD1-CD2 3.86Å; F194-Y223 HydrophobicContact CD1-CD2 3.86Å; F194-Y223 HydrophobicContact CD1-CE2 4.25Å; F194-Y223 HydrophobicContact CD1-CG 4.33Å; F194-Y223 AromaticContact CE1-CD2 3.48Å; F194-Y223 HydrophobicContact CE1-CD2 3.48Å; F194-Y223 VanDerWaalsContact CE1-CD2 3.48Å; F194-Y223 AromaticContact CE1-CE2 3.41Å; F194-Y223 HydrophobicContact CE1-CE2 3.41Å; F194-Y223 VanDerWaalsContact CE1-CE2 3.41Å; F194-Y223 HydrophobicContact CE1-CG 4.25Å; F194-Y223 HydrophobicContact CZ-CD2 4.22Å; F194-Y223 AromaticContact CZ-CE2 3.8Å; F194-Y223 HydrophobicContact CZ-CE2 3.8Å; W195-Y223 AromaticContact CE2-CD2 3.96Å; W195-Y223 VanDerWaalsContact CE2-O 3.3Å; W195-Y223 AromaticContact CZ2-CD2 3.72Å; W195-Y223 HydrophobicContact CZ2-CD2 3.72Å; W195-Y223 HydrophobicContact CZ2-CE2 4.11Å; W195-Y223 WeakPolarHBondContact CZ2-O 3.35Å; W195-Y223 AromaticContact NE1-CD2 3.96Å; W195-Y223 PolarHBondContact NE1-O 3Å; I206-Y223 HydrophobicContact CD1-CE2 4.44Å; I206-Y223 WeakPolarHBondContact CG2-OH 3.42Å; D221-Y223 PolarHBondContact O-N 3.09Å; Y223-Y233 PolarHBondContact O-OH 2.81Å; Y223-N267 PolarHBondContact OH-ND2 3.47Å; Y223-H307 AromaticContact CE1-CE1 3.61Å; Y223-H307 AromaticContact CE1-NE2 3.38Å; Y223-H307 WeakPolarHBondContact CE1-NE2 3.35Å; Y223-H307 AromaticContact CZ-NE2 3.42Å; Y223-H307 PolarHBondContact OH-NE2 2.61Å
224	W	97.5	Very high	92.7	Very high	8 Å²	8	68.2 Å²	68.2	3%	0.03	36%	0.364	C	S	.	.	S	Bend	trans	-131.5	151.5	175.8	64.1	88.5	0	0	0	110.8	C212 Q222 L226 Y233 F254	C212-W224 VanDerWaalsContact SG-CH2 3.51Å; Q222-W224 HydrophobicContact CG-CD2 4.02Å; Q222-W224 HydrophobicContact CG-CE3 4.38Å; Q222-W224 HydrophobicContact CG-CG 4.43Å; Q222-W224 HydrophobicContact CG-CH2 4.49Å; Q222-W224 HydrophobicContact CG-CZ2 4.13Å; Q222-W224 WeakPolarHBondContact CG-O 3.48Å; Q222-W224 VanDerWaalsContact NE2-NE1 3.16Å; Q222-W224 PolarHBondContact NE2-O 2.88Å; Q222-W224 PolarHBondContact O-N 2.91Å; W224-L226 PolarHBondContact O-N 2.78Å; W224-Y233 VanDerWaalsContact C-OH 3.3Å; W224-Y233 WeakPolarHBondContact CA-OH 3.37Å; W224-Y233 PolarHBondContact N-OH 2.79Å; W224-Y233 VanDerWaalsContact N-OH 3.14Å; W224-F254 HydrophobicContact CB-CE1 4.01Å; W224-F254 HydrophobicContact CB-CZ 3.64Å; W224-F254 HydrophobicContact CG-CZ 4.12Å
225	P	94.2	Very high	92.7	Very high	8 Å²	8	72.2 Å²	72.2	5%	0.052	39%	0.386	C	S	.	.			trans	-57.4	131.4	179.6	-17.7	27.8	0	0	0	112.3	A228 M231 V238 V240	P225-A228 WeakPolarHBondContact CB-O 3.19Å; P225-M231 HydrophobicContact CB-CB 4.25Å; P225-M231 HydrophobicContact CG-CB 3.78Å; P225-V238 WeakPolarHBondContact CG-O 3.34Å; P225-V240 HydrophobicContact CB-CG2 3.97Å; P225-V240 HydrophobicContact CG-CG2 3.9Å
226	L	85.6	Confident	93.1	Very high	103 Å²	103	65 Å²	65	54%	0.539	35%	0.354	S	S	.	.	S	Bend	trans	-102.1	-61.9	173.3	-167.3	59.5	0	0	0	111.5	Q222 W224	Q222-L226 VanDerWaalsContact NE2-CB 3.26Å; W224-L226 PolarHBondContact O-N 2.78Å
227	D	75.4	Confident	93.3	Very high	161 Å²	161	64.5 Å²	64.5	86%	0.861	33%	0.332	S	S	*	.	S	Bend	trans	-90.6	-33.9	-171	-53	-44.6	0	0	0	111.5
228	A	73.8	Confident	93.5	Very high	54 Å²	54	55.8 Å²	55.8	45%	0.446	30%	0.299	S	S	.	.	S	Bend	trans	-90.3	148.3	169.2	0	0	0	0	0	109.8	P225 T230	P225-A228 WeakPolarHBondContact CB-O 3.19Å; A228-T230 VanDerWaalsContact CB-O 3.22Å; A228-T230 WeakPolarHBondContact CB-O 3.5Å; A228-T230 PolarHBondContact O-N 3.38Å
229	K	84.6	Confident	93.6	Very high	170 Å²	170	52.1 Å²	52.1	74%	0.739	28%	0.283	S	S	*	.	S	Bend	trans	-70.2	-14.9	167.1	-71.3	-171.8	177.3	-178	0	112.4	V239 V240	K229-V239 CarbonylContact O-C 3.59Å; K229-V239 VanDerWaalsContact O-CA 3.29Å; K229-V239 WeakPolarHBondContact O-CA 3.45Å; K229-V240 PolarHBondContact O-N 2.72Å
230	T	94.2	Very high	93.6	Very high	54 Å²	54	50.9 Å²	50.9	33%	0.331	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	140	-171.2	-58.2	0	0	0	0	111	A228 E237 V238 V239	A228-T230 VanDerWaalsContact CB-O 3.22Å; A228-T230 WeakPolarHBondContact CB-O 3.5Å; A228-T230 PolarHBondContact O-N 3.38Å; T230-E237 HydrophobicContact CG2-CG 3.54Å; T230-E237 WeakPolarHBondContact CG2-OE1 3.49Å; T230-V238 WeakPolarHBondContact CA-O 3.45Å; T230-V239 HydrophobicContact CG2-CG2 3.97Å
231	M	96.6	Very high	93.5	Very high	62 Å²	62	54.5 Å²	54.5	31%	0.305	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	145.7	169.6	-174.7	141.7	58.6	0	0	110.1	P225 Y233 V238	P225-M231 HydrophobicContact CB-CB 4.25Å; P225-M231 HydrophobicContact CG-CB 3.78Å; M231-Y233 HydrophobicContact CB-CE2 3.87Å; M231-Y233 HydrophobicContact CE-CE1 3.84Å; M231-Y233 HydrophobicContact CE-CE2 4.47Å; M231-Y233 VanDerWaalsContact CE-CZ 3.49Å; M231-Y233 WeakPolarHBondContact CE-OH 3.46Å; M231-Y233 HydrophobicContact CG-CD2 4.48Å; M231-Y233 HydrophobicContact CG-CE1 4.03Å; M231-Y233 HydrophobicContact CG-CE2 3.93Å; M231-Y233 HydrophobicContact SD-CE1 4.34Å; M231-V238 PolarHBondContact N-O 2.88Å; M231-V238 PolarHBondContact O-N 3.24Å
232	I	96.7	Very high	93.3	Very high	114 Å²	114	56.2 Å²	56.2	59%	0.585	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101	130.9	177	-59.3	172.8	0	0	0	108.7	G234 E237	I232-G234 WeakPolarHBondContact CG2-O 3.38Å; I232-E237 HydrophobicContact CG1-CB 4.35Å; I232-E237 HydrophobicContact CG1-CG 4.32Å
233	Y	97.2	Very high	93.3	Very high	1 Å²	1	57.3 Å²	57.3	0%	0.004	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	110.9	175.8	-55.4	-87.5	0	0	0	108.8	R191 D192 W195 Y223 W224 M231 D235 V236 V238	R191-Y233 HydrophobicContact CB-CD1 4.18Å; R191-Y233 HydrophobicContact CB-CE1 4.41Å; R191-Y233 HydrophobicContact CG-CD1 3.81Å; R191-Y233 HydrophobicContact CG-CE1 4.24Å; D192-Y233 WeakPolarHBondContact OD1-CA 3.38Å; D192-Y233 WeakPolarHBondContact OD1-CB 3.46Å; W195-Y233 AromaticContact CD1-CD1 3.88Å; W195-Y233 AromaticContact CD1-CD2 3.29Å; W195-Y233 AromaticContact CD1-CE2 3.78Å; W195-Y233 AromaticContact CD1-CG 3.31Å; W195-Y233 HydrophobicContact CG-CD2 4.02Å; W195-Y233 HydrophobicContact CG-CG 4.2Å; W195-Y233 AromaticContact NE1-CD2 3.43Å; W195-Y233 AromaticContact NE1-CE2 3.39Å; W195-Y233 AromaticContact NE1-CG 3.81Å; W195-Y233 AromaticContact NE1-CZ 3.74Å; Y223-Y233 PolarHBondContact O-OH 2.81Å; W224-Y233 VanDerWaalsContact C-OH 3.3Å; W224-Y233 WeakPolarHBondContact CA-OH 3.37Å; W224-Y233 PolarHBondContact N-OH 2.79Å; W224-Y233 VanDerWaalsContact N-OH 3.14Å; M231-Y233 HydrophobicContact CB-CE2 3.87Å; M231-Y233 HydrophobicContact CE-CE1 3.84Å; M231-Y233 HydrophobicContact CE-CE2 4.47Å; M231-Y233 VanDerWaalsContact CE-CZ 3.49Å; M231-Y233 WeakPolarHBondContact CE-OH 3.46Å; M231-Y233 HydrophobicContact CG-CD2 4.48Å; M231-Y233 HydrophobicContact CG-CE1 4.03Å; M231-Y233 HydrophobicContact CG-CE2 3.93Å; M231-Y233 HydrophobicContact SD-CE1 4.34Å; Y233-D235 PolarHBondContact O-N 3.46Å; Y233-D235 VanDerWaalsContact O-N 3.08Å; Y233-V236 PolarHBondContact N-O 3.12Å; Y233-V236 PolarHBondContact O-N 3.36Å; Y233-V238 HydrophobicContact CD2-CB 4.15Å; Y233-V238 HydrophobicContact CD2-CG2 3.67Å; Y233-V238 HydrophobicContact CE2-CB 3.92Å; Y233-V238 HydrophobicContact CE2-CG2 3.87Å
234	G	96.1	Very high	93.2	Very high	51 Å²	51	60.4 Å²	60.4	53%	0.526	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	-113.9	-165.1	0	0	0	0	0	110.7	D192 I232	D192-G234 PolarHBondContact OD1-N 2.93Å; D192-G234 PolarHBondContact OD2-N 2.77Å; I232-G234 WeakPolarHBondContact CG2-O 3.38Å
235	D	95.9	Very high	93.2	Very high	87 Å²	87	67.6 Å²	67.6	47%	0.465	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	11.6	179.2	66.2	-6.5	0	0	0	114.2	Y233 K258	Y233-D235 PolarHBondContact O-N 3.46Å; Y233-D235 VanDerWaalsContact O-N 3.08Å; D235-K258 VanDerWaalsContact CG-CE 3.47Å; D235-K258 WeakPolarHBondContact O-CB 3.16Å; D235-K258 WeakPolarHBondContact OD1-CD 3.45Å; D235-K258 IonicContact OD1-NZ 3.73Å; D235-K258 PolarHBondContact OD1-NZ 2.89Å; D235-K258 WeakPolarHBondContact OD2-CE 3.4Å; D235-K258 IonicContact OD2-NZ 2.76Å; D235-K258 PolarHBondContact OD2-NZ 3.13Å
236	V	98.2	Very high	93.2	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	115.4	177.7	-175.4	0	0	0	0	109.6	W195 W199 Y233 V238 L256 K258	W195-V236 HydrophobicContact CB-CB 4.29Å; W195-V236 HydrophobicContact CB-CG1 4.48Å; W199-V236 HydrophobicContact CB-CG2 4.08Å; W199-V236 HydrophobicContact CE3-CG1 4.41Å; W199-V236 HydrophobicContact CG-CG2 4.32Å; Y233-V236 PolarHBondContact N-O 3.12Å; Y233-V236 PolarHBondContact O-N 3.36Å; V236-V238 HydrophobicContact CG1-CG2 4.12Å; V236-L256 HydrophobicContact CG1-CB 4.17Å; V236-L256 HydrophobicContact CG1-CD2 4.25Å; V236-L256 HydrophobicContact CG1-CG 4.19Å; V236-K258 HydrophobicContact CG2-CD 3.98Å
237	E	98	Very high	93.6	Very high	62 Å²	62	71.8 Å²	71.8	29%	0.29	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	127.3	168.9	-175.9	-174.1	-162.7	0	0	109.5	T230 I232 V239 L256 Q257	T230-E237 HydrophobicContact CG2-CG 3.54Å; T230-E237 WeakPolarHBondContact CG2-OE1 3.49Å; I232-E237 HydrophobicContact CG1-CB 4.35Å; I232-E237 HydrophobicContact CG1-CG 4.32Å; E237-V239 HydrophobicContact CG-CG2 4.27Å; E237-L256 CarbonylContact O-C 3.57Å; E237-L256 VanDerWaalsContact O-CA 3.28Å; E237-L256 WeakPolarHBondContact O-CA 3.23Å; E237-Q257 HydrophobicContact CB-CB 4.17Å; E237-Q257 PolarHBondContact N-O 3.47Å; E237-Q257 PolarHBondContact O-N 3.2Å
238	V	98.2	Very high	94.6	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	116.5	-179.6	-178.9	0	0	0	0	109.1	W195 P225 T230 M231 Y233 V236 F254	W195-V238 HydrophobicContact CD2-CG2 3.6Å; W195-V238 HydrophobicContact CE3-CG2 3.81Å; W195-V238 HydrophobicContact CG-CG2 4.06Å; W195-V238 HydrophobicContact CH2-CG1 3.76Å; W195-V238 HydrophobicContact CH2-CG2 4.2Å; W195-V238 HydrophobicContact CZ2-CB 4.45Å; W195-V238 HydrophobicContact CZ2-CG1 3.74Å; W195-V238 HydrophobicContact CZ2-CG2 4Å; W195-V238 HydrophobicContact CZ3-CG1 4.31Å; W195-V238 HydrophobicContact CZ3-CG2 4.11Å; P225-V238 WeakPolarHBondContact CG-O 3.34Å; T230-V238 WeakPolarHBondContact CA-O 3.45Å; M231-V238 PolarHBondContact N-O 2.88Å; M231-V238 PolarHBondContact O-N 3.24Å; Y233-V238 HydrophobicContact CD2-CB 4.15Å; Y233-V238 HydrophobicContact CD2-CG2 3.67Å; Y233-V238 HydrophobicContact CE2-CB 3.92Å; Y233-V238 HydrophobicContact CE2-CG2 3.87Å; V236-V238 HydrophobicContact CG1-CG2 4.12Å; V238-F254 HydrophobicContact CG1-CB 4.24Å; V238-F254 HydrophobicContact CG1-CD1 4.22Å; V238-F254 HydrophobicContact CG1-CG 4.2Å
239	V	97.3	Very high	95.7	Very high	21 Å²	21	68.2 Å²	68.2	13%	0.127	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.9	178.8	-171.6	0	0	0	0	109.9	K229 T230 E237 L241 F254 L255	K229-V239 CarbonylContact O-C 3.59Å; K229-V239 VanDerWaalsContact O-CA 3.29Å; K229-V239 WeakPolarHBondContact O-CA 3.45Å; T230-V239 HydrophobicContact CG2-CG2 3.97Å; E237-V239 HydrophobicContact CG-CG2 4.27Å; V239-L241 HydrophobicContact CG1-CD2 4.49Å; V239-L241 PolarHBondContact O-N 2.73Å; V239-F254 CarbonylContact O-C 3.59Å; V239-F254 VanDerWaalsContact O-CA 3.24Å; V239-F254 WeakPolarHBondContact O-CA 3.28Å; V239-L255 HydrophobicContact CB-CB 4.21Å; V239-L255 PolarHBondContact N-O 3.06Å; V239-L255 PolarHBondContact O-N 3.3Å
240	V	97.1	Very high	96.3	Very high	28 Å²	28	60.6 Å²	60.6	17%	0.17	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	111.3	172	-168.9	0	0	0	0	109.3	P225 K229 F254	P225-V240 HydrophobicContact CB-CG2 3.97Å; P225-V240 HydrophobicContact CG-CG2 3.9Å; K229-V240 PolarHBondContact O-N 2.72Å; V240-F254 HydrophobicContact CB-CD1 4.46Å; V240-F254 HydrophobicContact CG1-CE1 4.36Å; V240-F254 HydrophobicContact CG2-CD1 4.06Å; V240-F254 HydrophobicContact CG2-CE1 3.86Å
241	L	95.7	Very high	96.5	Very high	76 Å²	76	58.9 Å²	58.9	40%	0.398	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-45.4	178.8	-62.6	-176.1	0	0	0	111.8	V239 E253 L255	V239-L241 HydrophobicContact CG1-CD2 4.49Å; V239-L241 PolarHBondContact O-N 2.73Å; L241-E253 HydrophobicContact CB-CB 4.38Å; L241-E253 WeakPolarHBondContact CB-O 3.45Å; L241-E253 HydrophobicContact CD1-CG 4.19Å; L241-E253 PolarHBondContact N-O 3.26Å; L241-L255 HydrophobicContact CD1-CB 4.01Å; L241-L255 HydrophobicContact CD2-CB 3.9Å; L241-L255 HydrophobicContact CD2-CD2 4.4Å; L241-L255 HydrophobicContact CG-CB 3.93Å
242	N	94.2	Very high	96.5	Very high	69 Å²	69	56.3 Å²	56.3	37%	0.369	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	158.2	177	61	52.8	0	0	0	111.2	R252 E253	N242-R252 VanDerWaalsContact O-CA 3.32Å; N242-R252 WeakPolarHBondContact O-CA 3.33Å; N242-E253 PolarHBondContact ND2-OE2 2.61Å; N242-E253 PolarHBondContact O-N 3.06Å; N242-E253 VanDerWaalsContact O-N 3.09Å; N242-E253 WeakPolarHBondContact OD1-CB 3.45Å; N242-E253 PolarHBondContact OD1-N 3.09Å
243	E	95.5	Very high	96.5	Very high	75 Å²	75	52.4 Å²	52.4	35%	0.35	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	131.7	172.6	-176.9	177.6	82.3	0	0	109	R245 T250 I251 R252	E243-R245 HydrophobicContact CG-CG 4.23Å; E243-R245 IonicContact OE1-CZ 2.75Å; E243-R245 IonicContact OE1-NE 2.81Å; E243-R245 PolarHBondContact OE1-NE 3.4Å; E243-R245 IonicContact OE1-NH2 3.26Å; E243-R245 PolarHBondContact OE1-NH2 2.99Å; E243-R245 IonicContact OE2-CZ 2.63Å; E243-R245 IonicContact OE2-NH2 2.93Å; E243-R245 PolarHBondContact OE2-NH2 3.08Å; E243-T250 HydrophobicContact CG-CG2 3.58Å; E243-I251 CarbonylContact C-O 3.46Å; E243-I251 WeakPolarHBondContact CA-O 3.22Å; E243-R252 HydrophobicContact CB-CG 4.22Å; E243-R252 HydrophobicContact CG-CG 3.9Å; E243-R252 IonicContact OE2-CZ 2.88Å; E243-R252 IonicContact OE2-NE 3.4Å; E243-R252 PolarHBondContact OE2-NE 3.21Å; E243-R252 IonicContact OE2-NH2 3.27Å; E243-R252 PolarHBondContact OE2-NH2 3.16Å
244	S	95.8	Very high	96.5	Very high	65 Å²	65	52.3 Å²	52.3	46%	0.455	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	108.9	175	-64.2	0	0	0	0	109	T250 I251	S244-T250 CarbonylContact O-C 3.49Å; S244-T250 WeakPolarHBondContact O-CA 3.3Å; S244-I251 PolarHBondContact N-O 2.81Å; S244-I251 PolarHBondContact O-N 3.09Å
245	R	96.1	Very high	96.6	Very high	159 Å²	159	51 Å²	51	60%	0.6	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	117.3	178.2	-63.4	-177.4	-176.7	-120.1	-3.8	109.5	E243 T250	E243-R245 HydrophobicContact CG-CG 4.23Å; E243-R245 IonicContact OE1-CZ 2.75Å; E243-R245 IonicContact OE1-NE 2.81Å; E243-R245 PolarHBondContact OE1-NE 3.4Å; E243-R245 IonicContact OE1-NH2 3.26Å; E243-R245 PolarHBondContact OE1-NH2 2.99Å; E243-R245 IonicContact OE2-CZ 2.63Å; E243-R245 IonicContact OE2-NH2 2.93Å; E243-R245 PolarHBondContact OE2-NH2 3.08Å; R245-T250 HydrophobicContact CG-CG2 3.91Å
246	L	94.7	Very high	96.7	Very high	85 Å²	85	46.9 Å²	46.9	45%	0.445	24%	0.235	S	C	.	.			trans	-113	164.3	176	-64.8	166.7	0	0	0	109	Y248 W249	L246-Y248 PolarHBondContact O-N 3.18Å; L246-Y248 VanDerWaalsContact O-N 3.11Å; L246-W249 CarbonylContact C-O 3.58Å; L246-W249 WeakPolarHBondContact CA-O 3.4Å; L246-W249 WeakPolarHBondContact CB-O 3.5Å; L246-W249 HydrophobicContact CD1-CZ2 4.47Å; L246-W249 PolarHBondContact N-O 3.06Å; L246-W249 PolarHBondContact O-N 3.27Å
247	P	94.8	Very high	96.7	Very high	114 Å²	114	49.5 Å²	49.5	74%	0.74	25%	0.247	S	C	*	.	S	Bend	trans	-55.4	-35	-173.3	-29.8	36.6	0	0	0	114.8
248	Y	95.9	Very high	96.7	Very high	108 Å²	108	48.9 Å²	48.9	42%	0.424	24%	0.244	S	C	.	.	S	Bend	trans	-113.2	-8.7	-173.9	-54.7	-58.4	0	0	0	115	L246 T271 A272 V284	L246-Y248 PolarHBondContact O-N 3.18Å; L246-Y248 VanDerWaalsContact O-N 3.11Å; Y248-T271 PolarHBondContact O-N 3.37Å; Y248-T271 PolarHBondContact O-OG1 3.45Å; Y248-T271 VanDerWaalsContact O-OG1 3.12Å; Y248-A272 HydrophobicContact CD1-CB 3.67Å; Y248-A272 HydrophobicContact CG-CB 4.15Å; Y248-A272 PolarHBondContact O-N 3.1Å; Y248-V284 HydrophobicContact CD1-CG1 4.14Å; Y248-V284 HydrophobicContact CD2-CG1 3.87Å; Y248-V284 HydrophobicContact CD2-CG2 4.44Å; Y248-V284 HydrophobicContact CE2-CG1 4.49Å; Y248-V284 HydrophobicContact CE2-CG2 4.28Å; Y248-V284 HydrophobicContact CG-CG1 3.67Å
249	W	97.2	Very high	96.5	Very high	32 Å²	32	52.9 Å²	52.9	12%	0.121	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	161	179.2	54.7	80.5	0	0	0	112.1	L246 H269 F270 T271 V284 D287 F288 L291	L246-W249 CarbonylContact C-O 3.58Å; L246-W249 WeakPolarHBondContact CA-O 3.4Å; L246-W249 WeakPolarHBondContact CB-O 3.5Å; L246-W249 HydrophobicContact CD1-CZ2 4.47Å; L246-W249 PolarHBondContact N-O 3.06Å; L246-W249 PolarHBondContact O-N 3.27Å; W249-H269 CarbonylContact C-O 3.53Å; W249-H269 WeakPolarHBondContact CA-O 3.32Å; W249-H269 WeakPolarHBondContact CB-O 3.31Å; W249-F270 HydrophobicContact CB-CD2 4.44Å; W249-F270 HydrophobicContact CE3-CD2 4.16Å; W249-F270 HydrophobicContact CE3-CE2 4.13Å; W249-T271 PolarHBondContact N-OG1 3.44Å; W249-V284 HydrophobicContact CZ3-CG1 4.4Å; W249-D287 HydrophobicContact CH2-CB 4.3Å; W249-F288 HydrophobicContact CB-CD2 3.88Å; W249-F288 HydrophobicContact CB-CE2 3.83Å; W249-F288 AromaticContact CD2-CD2 3.77Å; W249-F288 HydrophobicContact CD2-CD2 3.77Å; W249-F288 HydrophobicContact CE3-CB 3.99Å; W249-F288 AromaticContact CE3-CD2 3.87Å; W249-F288 HydrophobicContact CE3-CD2 3.87Å; W249-F288 HydrophobicContact CE3-CG 4.37Å; W249-F288 AromaticContact CG-CD2 3.77Å; W249-F288 HydrophobicContact CG-CD2 3.77Å; W249-F288 HydrophobicContact CG-CE2 4.08Å; W249-F288 HydrophobicContact CZ3-CB 4.1Å; W249-L291 HydrophobicContact CZ2-CD2 3.98Å; W249-L291 VanDerWaalsContact NE1-CD2 3.31Å
250	T	97.5	Very high	96.3	Very high	10 Å²	10	55.7 Å²	55.7	6%	0.061	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135	170.3	-59.8	0	0	0	0	109.2	E243 S244 R245 R252 H269	E243-T250 HydrophobicContact CG-CG2 3.58Å; S244-T250 CarbonylContact O-C 3.49Å; S244-T250 WeakPolarHBondContact O-CA 3.3Å; R245-T250 HydrophobicContact CG-CG2 3.91Å; T250-R252 HydrophobicContact CG2-CG 4.31Å; T250-H269 PolarHBondContact N-O 3.42Å; T250-H269 WeakPolarHBondContact O-CA 3.47Å; T250-H269 WeakPolarHBondContact O-CB 3.42Å; T250-H269 PolarHBondContact O-N 2.87Å
251	I	97.6	Very high	96.4	Very high	17 Å²	17	57.9 Å²	57.9	9%	0.087	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.9	173.7	-52.2	-55	0	0	0	108.7	E243 S244 N267 F268 L291	E243-I251 CarbonylContact C-O 3.46Å; E243-I251 WeakPolarHBondContact CA-O 3.22Å; S244-I251 PolarHBondContact N-O 2.81Å; S244-I251 PolarHBondContact O-N 3.09Å; I251-N267 CarbonylContact C-O 3.53Å; I251-N267 WeakPolarHBondContact CA-O 3.22Å; I251-F268 HydrophobicContact CD1-CB 4.16Å; I251-F268 HydrophobicContact CD1-CD1 3.47Å; I251-F268 VanDerWaalsContact CD1-CD1 3.47Å; I251-F268 HydrophobicContact CD1-CE1 4.16Å; I251-F268 HydrophobicContact CD1-CG 4.08Å; I251-L291 HydrophobicContact CD1-CD2 4.33Å
252	R	97.2	Very high	96.4	Very high	8 Å²	8	59.7 Å²	59.7	3%	0.03	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	150	172.6	-56.1	171.3	179.5	92.5	8.5	110.7	N242 E243 T250 F254 K266 N267 H269	N242-R252 VanDerWaalsContact O-CA 3.32Å; N242-R252 WeakPolarHBondContact O-CA 3.33Å; E243-R252 HydrophobicContact CB-CG 4.22Å; E243-R252 HydrophobicContact CG-CG 3.9Å; E243-R252 IonicContact OE2-CZ 2.88Å; E243-R252 IonicContact OE2-NE 3.4Å; E243-R252 PolarHBondContact OE2-NE 3.21Å; E243-R252 IonicContact OE2-NH2 3.27Å; E243-R252 PolarHBondContact OE2-NH2 3.16Å; T250-R252 HydrophobicContact CG2-CG 4.31Å; R252-F254 HydrophobicContact CB-CD1 4.46Å; R252-F254 HydrophobicContact CB-CE1 3.87Å; R252-F254 HydrophobicContact CB-CZ 3.93Å; R252-F254 HydrophobicContact CG-CE1 4.43Å; R252-F254 HydrophobicContact CG-CZ 4.42Å; R252-K266 CarbonylContact O-C 3.6Å; R252-K266 WeakPolarHBondContact O-CA 3.44Å; R252-N267 HydrophobicContact CB-CB 4.19Å; R252-N267 PolarHBondContact N-O 3.1Å; R252-N267 PolarHBondContact NH1-OD1 3.47Å; R252-N267 PolarHBondContact O-N 3.26Å; R252-H269 PolarHBondContact NH1-ND1 3.03Å
253	E	97	Very high	96.6	Very high	32 Å²	32	59.7 Å²	59.7	15%	0.15	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.4	165.1	-168.5	176.6	179.9	0	0	109.1	L241 N242 R264	L241-E253 HydrophobicContact CB-CB 4.38Å; L241-E253 WeakPolarHBondContact CB-O 3.45Å; L241-E253 HydrophobicContact CD1-CG 4.19Å; L241-E253 PolarHBondContact N-O 3.26Å; N242-E253 PolarHBondContact ND2-OE2 2.61Å; N242-E253 PolarHBondContact O-N 3.06Å; N242-E253 VanDerWaalsContact O-N 3.09Å; N242-E253 WeakPolarHBondContact OD1-CB 3.45Å; N242-E253 PolarHBondContact OD1-N 3.09Å; E253-R264 WeakPolarHBondContact OE1-CD 3.35Å; E253-R264 IonicContact OE1-CZ 2.72Å; E253-R264 IonicContact OE1-NE 3.54Å; E253-R264 IonicContact OE1-NH1 3.59Å; E253-R264 PolarHBondContact OE1-NH1 3.29Å
254	F	97.6	Very high	96.6	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	142.3	177.3	-57.1	-50.8	0	0	0	110.7	W195 W224 V238 V239 V240 R252 L256 R264 V265 N267	W195-F254 AromaticContact CH2-CD2 3.68Å; W195-F254 HydrophobicContact CH2-CD2 3.68Å; W195-F254 AromaticContact CH2-CE2 3.9Å; W195-F254 HydrophobicContact CH2-CE2 3.9Å; W195-F254 HydrophobicContact CH2-CG 4.31Å; W195-F254 HydrophobicContact CZ2-CE2 4.46Å; W195-F254 HydrophobicContact CZ3-CD2 4.5Å; W224-F254 HydrophobicContact CB-CE1 4.01Å; W224-F254 HydrophobicContact CB-CZ 3.64Å; W224-F254 HydrophobicContact CG-CZ 4.12Å; V238-F254 HydrophobicContact CG1-CB 4.24Å; V238-F254 HydrophobicContact CG1-CD1 4.22Å; V238-F254 HydrophobicContact CG1-CG 4.2Å; V239-F254 CarbonylContact O-C 3.59Å; V239-F254 VanDerWaalsContact O-CA 3.24Å; V239-F254 WeakPolarHBondContact O-CA 3.28Å; V240-F254 HydrophobicContact CB-CD1 4.46Å; V240-F254 HydrophobicContact CG1-CE1 4.36Å; V240-F254 HydrophobicContact CG2-CD1 4.06Å; V240-F254 HydrophobicContact CG2-CE1 3.86Å; R252-F254 HydrophobicContact CB-CD1 4.46Å; R252-F254 HydrophobicContact CB-CE1 3.87Å; R252-F254 HydrophobicContact CB-CZ 3.93Å; R252-F254 HydrophobicContact CG-CE1 4.43Å; R252-F254 HydrophobicContact CG-CZ 4.42Å; F254-L256 HydrophobicContact CB-CD1 3.9Å; F254-R264 CarbonylContact O-C 3.58Å; F254-R264 VanDerWaalsContact O-CA 3.31Å; F254-R264 WeakPolarHBondContact O-CA 3.33Å; F254-V265 PolarHBondContact N-O 2.9Å; F254-V265 PolarHBondContact O-N 3.31Å; F254-N267 HydrophobicContact CD2-CB 4.06Å; F254-N267 HydrophobicContact CE2-CB 3.38Å; F254-N267 HydrophobicContact CZ-CB 3.97Å
255	L	97.5	Very high	96.6	Very high	23 Å²	23	60.7 Å²	60.7	12%	0.12	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	119.9	162.3	-176.4	69.1	0	0	0	108.3	V239 L241 Q257 Q262 R264	V239-L255 HydrophobicContact CB-CB 4.21Å; V239-L255 PolarHBondContact N-O 3.06Å; V239-L255 PolarHBondContact O-N 3.3Å; L241-L255 HydrophobicContact CD1-CB 4.01Å; L241-L255 HydrophobicContact CD2-CB 3.9Å; L241-L255 HydrophobicContact CD2-CD2 4.4Å; L241-L255 HydrophobicContact CG-CB 3.93Å; L255-Q257 HydrophobicContact CD2-CG 4.38Å; L255-Q257 HydrophobicContact CG-CG 4.24Å; L255-Q262 HydrophobicContact CD1-CB 4.01Å; L255-Q262 HydrophobicContact CD1-CG 4.48Å; L255-R264 HydrophobicContact CD1-CG 4.31Å
256	L	98.1	Very high	96.7	Very high	1 Å²	1	56 Å²	56	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	133	174.1	-71.5	66.3	0	0	0	108.3	W195 V198 W199 V236 E237 F254 Q262 R263 V265	W195-L256 HydrophobicContact CE3-CD2 3.96Å; W195-L256 HydrophobicContact CE3-CG 4.33Å; W195-L256 HydrophobicContact CZ3-CD1 4.1Å; W195-L256 HydrophobicContact CZ3-CD2 4Å; W195-L256 HydrophobicContact CZ3-CG 4.15Å; V198-L256 HydrophobicContact CG1-CD2 3.75Å; W199-L256 HydrophobicContact CE3-CB 3.96Å; W199-L256 HydrophobicContact CE3-CD2 4.27Å; W199-L256 HydrophobicContact CZ3-CB 3.91Å; V236-L256 HydrophobicContact CG1-CB 4.17Å; V236-L256 HydrophobicContact CG1-CD2 4.25Å; V236-L256 HydrophobicContact CG1-CG 4.19Å; E237-L256 CarbonylContact O-C 3.57Å; E237-L256 VanDerWaalsContact O-CA 3.28Å; E237-L256 WeakPolarHBondContact O-CA 3.23Å; F254-L256 HydrophobicContact CB-CD1 3.9Å; L256-Q262 CarbonylContact O-C 3.52Å; L256-Q262 VanDerWaalsContact O-CA 3.31Å; L256-Q262 WeakPolarHBondContact O-CA 3.34Å; L256-R263 HydrophobicContact CB-CB 4.49Å; L256-R263 PolarHBondContact N-O 3.34Å; L256-R263 PolarHBondContact O-N 3.27Å; L256-V265 HydrophobicContact CD1-CB 3.74Å; L256-V265 HydrophobicContact CD1-CG2 3.45Å; L256-V265 VanDerWaalsContact CD1-CG2 3.45Å; L256-V265 HydrophobicContact CD2-CG2 3.93Å; L256-V265 HydrophobicContact CG-CG2 4.33Å
257	Q	97.8	Very high	96.9	Very high	54 Å²	54	52 Å²	52	25%	0.252	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	133.1	175.2	-38.6	-165.5	34.4	0	0	110.9	E237 L255 V261 Q262	E237-Q257 HydrophobicContact CB-CB 4.17Å; E237-Q257 PolarHBondContact N-O 3.47Å; E237-Q257 PolarHBondContact O-N 3.2Å; L255-Q257 HydrophobicContact CD2-CG 4.38Å; L255-Q257 HydrophobicContact CG-CG 4.24Å; Q257-V261 WeakPolarHBondContact CA-O 3.28Å; Q257-Q262 HydrophobicContact CG-CG 4.1Å
258	K	97.2	Very high	97	Very high	50 Å²	50	46.6 Å²	46.6	22%	0.217	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	129.1	173.3	165.9	170.4	169.7	165.7	0	109.7	W199 D235 V236 G260 V261	W199-K258 HydrophobicContact CD2-CB 4.13Å; W199-K258 HydrophobicContact CD2-CD 4.12Å; W199-K258 HydrophobicContact CE3-CB 4.22Å; W199-K258 HydrophobicContact CG-CD 4.18Å; W199-K258 HydrophobicContact CH2-CB 3.71Å; W199-K258 HydrophobicContact CZ2-CB 3.6Å; W199-K258 HydrophobicContact CZ2-CD 4.34Å; W199-K258 HydrophobicContact CZ2-CG 4.03Å; W199-K258 HydrophobicContact CZ3-CB 4.02Å; D235-K258 VanDerWaalsContact CG-CE 3.47Å; D235-K258 WeakPolarHBondContact O-CB 3.16Å; D235-K258 WeakPolarHBondContact OD1-CD 3.45Å; D235-K258 IonicContact OD1-NZ 3.73Å; D235-K258 PolarHBondContact OD1-NZ 2.89Å; D235-K258 WeakPolarHBondContact OD2-CE 3.4Å; D235-K258 IonicContact OD2-NZ 2.76Å; D235-K258 PolarHBondContact OD2-NZ 3.13Å; V236-K258 HydrophobicContact CG2-CD 3.98Å; K258-G260 VanDerWaalsContact C-N 3.27Å; K258-G260 PolarHBondContact O-N 3.27Å; K258-V261 PolarHBondContact N-O 2.98Å; K258-V261 VanDerWaalsContact N-O 3.12Å; K258-V261 PolarHBondContact O-N 2.86Å
259	G	94.2	Very high	97.2	Very high	84 Å²	84	42 Å²	42	87%	0.866	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	36	178	0	0	0	0	0	114.4	V261	G259-V261 PolarHBondContact O-N 3.35Å
260	G	94.4	Very high	97.2	Very high	80 Å²	80	40.5 Å²	40.5	83%	0.825	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.5	-4.6	-177.6	0	0	0	0	0	115.4	K258	K258-G260 VanDerWaalsContact C-N 3.27Å; K258-G260 PolarHBondContact O-N 3.27Å
261	V	97.6	Very high	97.1	Very high	74 Å²	74	41.8 Å²	41.8	45%	0.448	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	141	174.3	179.4	0	0	0	0	109.4	W199 Q257 K258 G259	W199-V261 HydrophobicContact CH2-CB 3.89Å; W199-V261 HydrophobicContact CH2-CG1 3.93Å; W199-V261 WeakPolarHBondContact CH2-O 3.37Å; W199-V261 HydrophobicContact CZ2-CB 4.07Å; W199-V261 HydrophobicContact CZ2-CG1 4.2Å; Q257-V261 WeakPolarHBondContact CA-O 3.28Å; K258-V261 PolarHBondContact N-O 2.98Å; K258-V261 VanDerWaalsContact N-O 3.12Å; K258-V261 PolarHBondContact O-N 2.86Å; G259-V261 PolarHBondContact O-N 3.35Å
262	Q	97.3	Very high	96.9	Very high	114 Å²	114	42.7 Å²	42.7	53%	0.533	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	142.3	176.7	-67	-171.6	-14.9	0	0	111.6	L255 L256 Q257	L255-Q262 HydrophobicContact CD1-CB 4.01Å; L255-Q262 HydrophobicContact CD1-CG 4.48Å; L256-Q262 CarbonylContact O-C 3.52Å; L256-Q262 VanDerWaalsContact O-CA 3.31Å; L256-Q262 WeakPolarHBondContact O-CA 3.34Å; Q257-Q262 HydrophobicContact CG-CG 4.1Å
263	R	96.6	Very high	96.8	Very high	69 Å²	69	42.5 Å²	42.5	26%	0.26	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	144.8	177.2	-63.5	178.5	-176.6	162.5	-0.4	110.8	W199 L256	W199-R263 HydrophobicContact CH2-CG 4.35Å; W199-R263 HydrophobicContact CZ3-CB 4.38Å; W199-R263 HydrophobicContact CZ3-CG 4.12Å; W199-R263 PolarHBondContact O-NH1 3.49Å; L256-R263 HydrophobicContact CB-CB 4.49Å; L256-R263 PolarHBondContact N-O 3.34Å; L256-R263 PolarHBondContact O-N 3.27Å
264	R	96.1	Very high	96.4	Very high	158 Å²	158	42.9 Å²	42.9	60%	0.596	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.5	135.3	175.5	-71.2	176.5	172.5	-145.8	9.5	110.6	E253 F254 L255	E253-R264 WeakPolarHBondContact OE1-CD 3.35Å; E253-R264 IonicContact OE1-CZ 2.72Å; E253-R264 IonicContact OE1-NE 3.54Å; E253-R264 IonicContact OE1-NH1 3.59Å; E253-R264 PolarHBondContact OE1-NH1 3.29Å; F254-R264 CarbonylContact O-C 3.58Å; F254-R264 VanDerWaalsContact O-CA 3.31Å; F254-R264 WeakPolarHBondContact O-CA 3.33Å; L255-R264 HydrophobicContact CD1-CG 4.31Å
265	V	97.2	Very high	95.1	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128.9	177.4	178.8	0	0	0	0	109.6	V198 C203 L204 I206 F254 L256	V198-V265 HydrophobicContact CG1-CG1 4.42Å; V198-V265 HydrophobicContact CG1-CG2 4.09Å; C203-V265 VanDerWaalsContact O-CG2 3.32Å; C203-V265 WeakPolarHBondContact O-CG2 3.49Å; L204-V265 WeakPolarHBondContact O-CA 3.33Å; I206-V265 HydrophobicContact CD1-CG1 3.86Å; I206-V265 HydrophobicContact CG1-CG1 3.89Å; F254-V265 PolarHBondContact N-O 2.9Å; F254-V265 PolarHBondContact O-N 3.31Å; L256-V265 HydrophobicContact CD1-CB 3.74Å; L256-V265 HydrophobicContact CD1-CG2 3.45Å; L256-V265 VanDerWaalsContact CD1-CG2 3.45Å; L256-V265 HydrophobicContact CD2-CG2 3.93Å; L256-V265 HydrophobicContact CG-CG2 4.33Å
266	K	97.2	Very high	94	Very high	62 Å²	62	50.3 Å²	50.3	27%	0.27	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	135.2	173.6	-72.3	-173.4	174.7	-175.2	0	111.2	L204 A205 I206 R252 F268	L204-K266 PolarHBondContact O-N 3.42Å; A205-K266 CarbonylContact C-O 3.5Å; A205-K266 WeakPolarHBondContact CA-O 3.21Å; I206-K266 PolarHBondContact N-O 3.26Å; R252-K266 CarbonylContact O-C 3.6Å; R252-K266 WeakPolarHBondContact O-CA 3.44Å; K266-F268 HydrophobicContact CB-CD2 4.33Å; K266-F268 HydrophobicContact CB-CE2 3.54Å; K266-F268 HydrophobicContact CB-CZ 4.07Å; K266-F268 HydrophobicContact CD-CE2 4.3Å; K266-F268 HydrophobicContact CD-CZ 4.01Å
267	N	98.1	Very high	93.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	119	173.5	176.8	-104	0	0	0	110.1	I206 Y223 I251 R252 F254	I206-N267 WeakPolarHBondContact CG2-ND2 3.45Å; I206-N267 CarbonylContact O-C 3.57Å; I206-N267 VanDerWaalsContact O-CA 3.32Å; I206-N267 WeakPolarHBondContact O-CA 3.28Å; Y223-N267 PolarHBondContact OH-ND2 3.47Å; I251-N267 CarbonylContact C-O 3.53Å; I251-N267 WeakPolarHBondContact CA-O 3.22Å; R252-N267 HydrophobicContact CB-CB 4.19Å; R252-N267 PolarHBondContact N-O 3.1Å; R252-N267 PolarHBondContact NH1-OD1 3.47Å; R252-N267 PolarHBondContact O-N 3.26Å; F254-N267 HydrophobicContact CD2-CB 4.06Å; F254-N267 HydrophobicContact CE2-CB 3.38Å; F254-N267 HydrophobicContact CZ-CB 3.97Å
268	F	98.5	Very high	93.4	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	100.7	176.7	-60	-100.6	0	0	0	108	A205 I206 V207 N208 I251 K266 F288 F292 Q295 I296	A205-F268 HydrophobicContact CB-CD2 4.47Å; A205-F268 HydrophobicContact CB-CE2 4.14Å; I206-F268 PolarHBondContact O-N 3.06Å; V207-F268 CarbonylContact C-O 3.39Å; V207-F268 WeakPolarHBondContact CA-O 3.45Å; V207-F268 HydrophobicContact CG2-CB 4.46Å; N208-F268 PolarHBondContact N-O 2.86Å; I251-F268 HydrophobicContact CD1-CB 4.16Å; I251-F268 HydrophobicContact CD1-CD1 3.47Å; I251-F268 VanDerWaalsContact CD1-CD1 3.47Å; I251-F268 HydrophobicContact CD1-CE1 4.16Å; I251-F268 HydrophobicContact CD1-CG 4.08Å; K266-F268 HydrophobicContact CB-CD2 4.33Å; K266-F268 HydrophobicContact CB-CE2 3.54Å; K266-F268 HydrophobicContact CB-CZ 4.07Å; K266-F268 HydrophobicContact CD-CE2 4.3Å; K266-F268 HydrophobicContact CD-CZ 4.01Å; F268-F288 HydrophobicContact CB-CE2 3.86Å; F268-F288 HydrophobicContact CB-CZ 3.58Å; F268-F292 HydrophobicContact CD1-CB 4.17Å; F268-F292 HydrophobicContact CD1-CD2 4.48Å; F268-F292 AromaticContact CD2-CD2 3.95Å; F268-F292 HydrophobicContact CD2-CD2 3.95Å; F268-F292 HydrophobicContact CE1-CB 4.34Å; F268-F292 HydrophobicContact CE2-CD2 4.03Å; F268-F292 HydrophobicContact CG-CD2 4.21Å; F268-F292 HydrophobicContact CZ-CD2 4.33Å; F268-Q295 HydrophobicContact CE1-CB 4.06Å; F268-Q295 HydrophobicContact CE1-CG 4.47Å; F268-Q295 HydrophobicContact CZ-CB 3.81Å; F268-I296 HydrophobicContact CE2-CD1 3.78Å; F268-I296 HydrophobicContact CE2-CG1 4.26Å; F268-I296 HydrophobicContact CZ-CD1 4Å; F268-I296 HydrophobicContact CZ-CG1 4.35Å
269	H	98.4	Very high	93.3	Very high	11 Å²	11	47.8 Å²	47.8	5%	0.051	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	98.5	-175.1	-177.3	-173.5	0	0	0	110.9	N208 T210 W249 T250 R252 T271	N208-H269 HydrophobicContact CB-CB 4.25Å; N208-H269 VanDerWaalsContact CG-CD2 3.5Å; N208-H269 PolarHBondContact ND2-CD2 3.32Å; N208-H269 PolarHBondContact ND2-NE2 3.32Å; N208-H269 CarbonylContact O-C 3.46Å; N208-H269 WeakPolarHBondContact O-CA 3.31Å; T210-H269 PolarHBondContact O-NE2 2.99Å; W249-H269 CarbonylContact C-O 3.53Å; W249-H269 WeakPolarHBondContact CA-O 3.32Å; W249-H269 WeakPolarHBondContact CB-O 3.31Å; T250-H269 PolarHBondContact N-O 3.42Å; T250-H269 WeakPolarHBondContact O-CA 3.47Å; T250-H269 WeakPolarHBondContact O-CB 3.42Å; T250-H269 PolarHBondContact O-N 2.87Å; R252-H269 PolarHBondContact NH1-ND1 3.03Å; H269-T271 PolarHBondContact O-N 2.72Å
270	F	97.9	Very high	93	Very high	1 Å²	1	47 Å²	47	0%	0.004	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	114.2	175.4	-167.5	-99.8	0	0	0	110.8	N208 L209 W249 A272 W273 P279 V284 L285 F288	N208-F270 PolarHBondContact O-N 2.87Å; L209-F270 HydrophobicContact CD2-CB 3.99Å; W249-F270 HydrophobicContact CB-CD2 4.44Å; W249-F270 HydrophobicContact CE3-CD2 4.16Å; W249-F270 HydrophobicContact CE3-CE2 4.13Å; F270-A272 HydrophobicContact CE1-CB 4.1Å; F270-A272 HydrophobicContact CZ-CB 4.02Å; F270-W273 HydrophobicContact CD1-CB 3.93Å; F270-W273 AromaticContact CD1-CE3 3.96Å; F270-W273 HydrophobicContact CD1-CE3 3.96Å; F270-W273 HydrophobicContact CE1-CB 3.92Å; F270-W273 HydrophobicContact CE1-CD2 4.49Å; F270-W273 AromaticContact CE1-CE3 3.96Å; F270-W273 HydrophobicContact CE1-CE3 3.96Å; F270-P279 HydrophobicContact CE1-CG 4.11Å; F270-P279 HydrophobicContact CZ-CG 4.36Å; F270-V284 HydrophobicContact CE2-CG1 3.88Å; F270-V284 HydrophobicContact CZ-CG1 3.83Å; F270-L285 HydrophobicContact CE1-CD1 4.5Å; F270-L285 HydrophobicContact CE2-CD1 4.32Å; F270-L285 HydrophobicContact CZ-CD1 4.28Å; F270-F288 HydrophobicContact CB-CD1 4.3Å; F270-F288 HydrophobicContact CB-CD2 4.45Å; F270-F288 HydrophobicContact CB-CE1 3.94Å; F270-F288 HydrophobicContact CB-CE2 4.08Å; F270-F288 HydrophobicContact CB-CZ 3.8Å; F270-F288 HydrophobicContact CD2-CB 3.8Å; F270-F288 AromaticContact CD2-CD1 3.84Å; F270-F288 HydrophobicContact CD2-CD1 3.84Å; F270-F288 AromaticContact CD2-CD2 3.74Å; F270-F288 HydrophobicContact CD2-CD2 3.74Å; F270-F288 HydrophobicContact CD2-CE1 4.32Å; F270-F288 HydrophobicContact CD2-CE2 4.22Å; F270-F288 AromaticContact CD2-CG 3.51Å; F270-F288 HydrophobicContact CD2-CG 3.51Å; F270-F288 HydrophobicContact CD2-CZ 4.48Å; F270-F288 HydrophobicContact CE2-CB 3.89Å; F270-F288 HydrophobicContact CE2-CG 4.13Å; F270-F288 HydrophobicContact CG-CD1 4.36Å; F270-F288 HydrophobicContact CG-CE1 4.47Å; F270-F288 HydrophobicContact CG-CG 4.4Å
271	T	95.6	Very high	92.8	Very high	38 Å²	38	47.9 Å²	47.9	23%	0.233	24%	0.239	C	C	.	.			trans	-103.6	-11.1	-171.5	51.8	0	0	0	0	113.4	Y248 W249 H269	Y248-T271 PolarHBondContact O-N 3.37Å; Y248-T271 PolarHBondContact O-OG1 3.45Å; Y248-T271 VanDerWaalsContact O-OG1 3.12Å; W249-T271 PolarHBondContact N-OG1 3.44Å; H269-T271 PolarHBondContact O-N 2.72Å
272	A	94.1	Very high	92.6	Very high	36 Å²	36	45.6 Å²	45.6	30%	0.298	23%	0.226	S	C	.	.			trans	-90.6	3.4	-175.4	0	0	0	0	0	115.4	Y248 F270 P274	Y248-A272 HydrophobicContact CD1-CB 3.67Å; Y248-A272 HydrophobicContact CG-CB 4.15Å; Y248-A272 PolarHBondContact O-N 3.1Å; F270-A272 HydrophobicContact CE1-CB 4.1Å; F270-A272 HydrophobicContact CZ-CB 4.02Å; A272-P274 WeakPolarHBondContact O-CD 3.19Å
273	W	94.1	Very high	92.5	Very high	3 Å²	3	45.3 Å²	45.3	1%	0.011	22%	0.223	C	C	.	.			trans	-74.8	123.5	177.5	-152.2	-56.3	0	0	0	110.1	L209 F270 G277 P279 L285 R314 T317	L209-W273 HydrophobicContact CD2-CE3 4.42Å; L209-W273 HydrophobicContact CD2-CZ3 4.34Å; F270-W273 HydrophobicContact CD1-CB 3.93Å; F270-W273 AromaticContact CD1-CE3 3.96Å; F270-W273 HydrophobicContact CD1-CE3 3.96Å; F270-W273 HydrophobicContact CE1-CB 3.92Å; F270-W273 HydrophobicContact CE1-CD2 4.49Å; F270-W273 AromaticContact CE1-CE3 3.96Å; F270-W273 HydrophobicContact CE1-CE3 3.96Å; W273-G277 PolarHBondContact NE1-O 3.2Å; W273-G277 VanDerWaalsContact NE1-O 3.13Å; W273-P279 HydrophobicContact CD2-CG 3.91Å; W273-P279 HydrophobicContact CE3-CG 4.13Å; W273-P279 HydrophobicContact CG-CG 4.21Å; W273-L285 HydrophobicContact CE3-CD1 4.47Å; W273-L285 HydrophobicContact CH2-CD2 3.85Å; W273-L285 HydrophobicContact CZ3-CD1 3.9Å; W273-L285 HydrophobicContact CZ3-CD2 3.73Å; W273-L285 HydrophobicContact CZ3-CG 4.48Å; W273-R314 HydrophobicContact CD2-CB 4.16Å; W273-R314 HydrophobicContact CD2-CG 3.73Å; W273-R314 HydrophobicContact CE3-CB 4.12Å; W273-R314 HydrophobicContact CE3-CG 4.21Å; W273-R314 VanDerWaalsContact CG-CD 3.44Å; W273-R314 HydrophobicContact CG-CG 4.13Å; W273-R314 VanDerWaalsContact CG-NE 3.34Å; W273-R314 HydrophobicContact CH2-CB 4.1Å; W273-R314 HydrophobicContact CH2-CG 4.36Å; W273-R314 HydrophobicContact CZ2-CB 4.11Å; W273-R314 HydrophobicContact CZ2-CG 3.88Å; W273-R314 HydrophobicContact CZ3-CB 4.09Å; W273-R314 HydrophobicContact CZ3-CG 4.5Å; W273-T317 HydrophobicContact CH2-CG2 3.64Å; W273-T317 HydrophobicContact CZ2-CG2 4.2Å
274	P	88.4	Confident	92.5	Very high	40 Å²	40	42.7 Å²	42.7	26%	0.26	22%	0.215	S	C	.	.			trans	-68.4	152	-179.6	27.6	-35	0	0	0	112.3	A272 F276 V278 R314	A272-P274 WeakPolarHBondContact O-CD 3.19Å; P274-F276 WeakPolarHBondContact CB-O 3.31Å; P274-F276 WeakPolarHBondContact CG-O 3.47Å; P274-F276 PolarHBondContact O-N 3.04Å; P274-F276 VanDerWaalsContact O-N 3.13Å; P274-V278 WeakPolarHBondContact CG-O 3.24Å; P274-R314 PolarHBondContact O-NH2 3.3Å
275	D	70	Confident	92.5	Very high	26 Å²	26	35.2 Å²	35.2	14%	0.139	19%	0.187	C	C	.	.	S	Bend	trans	-59.3	-27	-179.8	-59.6	0.2	0	0	0	112.7	R211 E214 K215	R211-D275 IonicContact CZ-OD1 3.48Å; R211-D275 IonicContact NH2-OD1 2.78Å; R211-D275 PolarHBondContact NH2-OD1 3.41Å; R211-D275 IonicContact NH2-OD2 2.66Å; E214-D275 HydrophobicContact CB-CB 4.24Å; E214-D275 VanDerWaalsContact CB-OD1 3.27Å; E214-D275 WeakPolarHBondContact CB-OD1 3.32Å; E214-D275 WeakPolarHBondContact CG-OD1 3.43Å; K215-D275 WeakPolarHBondContact CB-OD2 3.38Å; K215-D275 HydrophobicContact CD-CB 3.91Å; K215-D275 WeakPolarHBondContact CD-OD2 3.48Å; K215-D275 HydrophobicContact CG-CB 4.45Å; K215-D275 WeakPolarHBondContact CG-OD2 3.47Å; K215-D275 PolarHBondContact N-OD2 3.4Å
276	F	75.1	Confident	92.6	Very high	154 Å²	154	35.2 Å²	35.2	68%	0.675	19%	0.187	S	C	*	.	S	Bend	trans	-129.5	138.9	172.2	-63.6	-87.7	0	0	0	109.9	K215 P274	K215-F276 HydrophobicContact CD-CD2 4.06Å; K215-F276 HydrophobicContact CD-CE2 3.57Å; K215-F276 VanDerWaalsContact NZ-CD2 3.3Å; P274-F276 WeakPolarHBondContact CB-O 3.31Å; P274-F276 WeakPolarHBondContact CG-O 3.47Å; P274-F276 PolarHBondContact O-N 3.04Å; P274-F276 VanDerWaalsContact O-N 3.13Å
277	G	89.5	Confident	92.6	Very high	24 Å²	24	34.7 Å²	34.7	25%	0.247	19%	0.187	C	C	.	.	S	Bend	trans	83.9	-139.9	177.2	0	0	0	0	0	113.9	W273	W273-G277 PolarHBondContact NE1-O 3.2Å; W273-G277 VanDerWaalsContact NE1-O 3.13Å
278	V	94.2	Very high	92.6	Very high	24 Å²	24	34.7 Å²	34.7	15%	0.145	19%	0.187	C	C	.	.			trans	-132.2	159.4	-171.3	-64.8	0	0	0	0	109.7	P274 Q356 Q357 F360	P274-V278 WeakPolarHBondContact CG-O 3.24Å; V278-Q356 HydrophobicContact CG1-CB 4.36Å; V278-Q357 HydrophobicContact CG1-CB 4.47Å; V278-Q357 HydrophobicContact CG1-CG 3.92Å; V278-F360 HydrophobicContact CB-CB 3.98Å; V278-F360 HydrophobicContact CB-CD1 4.05Å; V278-F360 HydrophobicContact CB-CD2 3.83Å; V278-F360 HydrophobicContact CB-CE1 4.5Å; V278-F360 HydrophobicContact CB-CE2 4.31Å; V278-F360 HydrophobicContact CB-CG 3.68Å; V278-F360 HydrophobicContact CG1-CB 3.75Å; V278-F360 HydrophobicContact CG1-CD1 4.28Å; V278-F360 HydrophobicContact CG1-CG 3.96Å; V278-F360 HydrophobicContact CG2-CB 4.04Å; V278-F360 HydrophobicContact CG2-CD2 3.62Å; V278-F360 HydrophobicContact CG2-CE2 4.24Å; V278-F360 HydrophobicContact CG2-CG 3.89Å
279	P	93.9	Very high	92.5	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.026	19%	0.187	C	C	.	.			trans	-53.9	146.6	175	-24.7	34.4	0	0	0	112.1	F270 W273 Q281 F360	F270-P279 HydrophobicContact CE1-CG 4.11Å; F270-P279 HydrophobicContact CZ-CG 4.36Å; W273-P279 HydrophobicContact CD2-CG 3.91Å; W273-P279 HydrophobicContact CE3-CG 4.13Å; W273-P279 HydrophobicContact CG-CG 4.21Å; P279-Q281 VanDerWaalsContact C-N 3.3Å; P279-Q281 PolarHBondContact O-N 2.81Å; P279-F360 HydrophobicContact CB-CZ 3.89Å; P279-F360 HydrophobicContact CG-CE1 4.12Å; P279-F360 HydrophobicContact CG-CZ 4Å; P279-F360 WeakPolarHBondContact O-CE2 3.49Å
280	D	87.7	Confident	92.4	Very high	66 Å²	66	35.9 Å²	35.9	35%	0.353	19%	0.191	S	C	.	.	S	Bend	trans	-68.3	-32.2	-174.1	-73.7	-5.2	0	0	0	113	W25 R29	W25-D280 VanDerWaalsContact CH2-C 3.43Å; W25-D280 HydrophobicContact CH2-CB 3.37Å; W25-D280 WeakPolarHBondContact CH2-O 3.32Å; W25-D280 HydrophobicContact CZ2-CB 4.1Å; W25-D280 WeakPolarHBondContact CZ2-O 3.42Å; W25-D280 HydrophobicContact CZ3-CB 4.06Å; W25-D280 WeakPolarHBondContact CZ3-O 3.46Å; R29-D280 IonicContact CZ-OD1 2.59Å; R29-D280 IonicContact CZ-OD2 2.77Å; R29-D280 IonicContact NE-OD1 3.42Å; R29-D280 IonicContact NH1-OD1 3.5Å; R29-D280 PolarHBondContact NH1-OD1 3.25Å; R29-D280 IonicContact NH1-OD2 2.69Å; R29-D280 PolarHBondContact NH1-OD2 2.92Å; R29-D280 IonicContact NH2-OD1 2.75Å; R29-D280 PolarHBondContact NH2-OD1 2.79Å; R29-D280 IonicContact NH2-OD2 3.76Å; R29-D280 PolarHBondContact NH2-OD2 2.93Å
281	Q	90.8	Very high	92.3	Very high	99 Å²	99	38.2 Å²	38.2	46%	0.463	20%	0.203	S	C	.	.			trans	-120.8	117.3	-178.7	-65.4	179.9	15.5	0	0	108.5	P279 K283 V284	P279-Q281 VanDerWaalsContact C-N 3.3Å; P279-Q281 PolarHBondContact O-N 2.81Å; Q281-K283 PolarHBondContact O-N 3.47Å; Q281-K283 VanDerWaalsContact O-N 3.13Å; Q281-V284 HydrophobicContact CB-CG2 3.93Å; Q281-V284 PolarHBondContact O-N 3.25Å
282	P	94.8	Very high	92.4	Very high	26 Å²	26	36.4 Å²	36.4	17%	0.169	19%	0.192	C	C	.	.	H	α-helix	trans	-49	-39.8	174.3	-30.2	36	0	0	0	112.6	V284 L285 I286 F360 H363 C364	P282-V284 VanDerWaalsContact C-N 3.25Å; P282-V284 PolarHBondContact O-N 2.96Å; P282-L285 PolarHBondContact O-N 2.73Å; P282-L285 VanDerWaalsContact O-N 3.16Å; P282-I286 HydrophobicContact CB-CD1 4.44Å; P282-I286 WeakPolarHBondContact O-CG1 3.28Å; P282-I286 PolarHBondContact O-N 3.04Å; P282-F360 HydrophobicContact CB-CE2 4.27Å; P282-F360 HydrophobicContact CB-CZ 4.48Å; P282-F360 HydrophobicContact CG-CE2 3.92Å; P282-H363 HydrophobicContact CG-CB 4.04Å; P282-C364 HydrophobicContact CB-CB 4.42Å
283	K	95	Very high	92.4	Very high	108 Å²	108	36 Å²	36	47%	0.47	18%	0.183	S	C	.	.	H	α-helix	trans	-52.6	-39.1	179.1	-163.6	-170.5	-173.8	-47.7	0	113.5	Q281 L285 I286 D287	Q281-K283 PolarHBondContact O-N 3.47Å; Q281-K283 VanDerWaalsContact O-N 3.13Å; K283-L285 VanDerWaalsContact C-N 3.35Å; K283-L285 PolarHBondContact O-N 2.94Å; K283-I286 PolarHBondContact O-N 3.05Å; K283-D287 IonicContact NZ-OD1 2.69Å; K283-D287 PolarHBondContact NZ-OD1 3.1Å; K283-D287 IonicContact NZ-OD2 3.21Å; K283-D287 PolarHBondContact NZ-OD2 3.32Å; K283-D287 WeakPolarHBondContact O-CB 3.41Å; K283-D287 VanDerWaalsContact O-CG 3.24Å; K283-D287 PolarHBondContact O-N 3.39Å
284	V	95.9	Very high	92.4	Very high	15 Å²	15	40.1 Å²	40.1	9%	0.091	22%	0.218	C	C	.	.	H	α-helix	trans	-64.2	-41.4	-176.5	177.6	0	0	0	0	111.1	Y248 W249 F270 Q281 P282 F288	Y248-V284 HydrophobicContact CD1-CG1 4.14Å; Y248-V284 HydrophobicContact CD2-CG1 3.87Å; Y248-V284 HydrophobicContact CD2-CG2 4.44Å; Y248-V284 HydrophobicContact CE2-CG1 4.49Å; Y248-V284 HydrophobicContact CE2-CG2 4.28Å; Y248-V284 HydrophobicContact CG-CG1 3.67Å; W249-V284 HydrophobicContact CZ3-CG1 4.4Å; F270-V284 HydrophobicContact CE2-CG1 3.88Å; F270-V284 HydrophobicContact CZ-CG1 3.83Å; Q281-V284 HydrophobicContact CB-CG2 3.93Å; Q281-V284 PolarHBondContact O-N 3.25Å; P282-V284 VanDerWaalsContact C-N 3.25Å; P282-V284 PolarHBondContact O-N 2.96Å; V284-F288 PolarHBondContact O-N 2.62Å
285	L	97.2	Very high	92.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-74.2	-38.5	176	-173.5	63.3	0	0	0	111.5	F270 W273 P282 K283 D287 F288 V289 T317 L321 F360	F270-L285 HydrophobicContact CE1-CD1 4.5Å; F270-L285 HydrophobicContact CE2-CD1 4.32Å; F270-L285 HydrophobicContact CZ-CD1 4.28Å; W273-L285 HydrophobicContact CE3-CD1 4.47Å; W273-L285 HydrophobicContact CH2-CD2 3.85Å; W273-L285 HydrophobicContact CZ3-CD1 3.9Å; W273-L285 HydrophobicContact CZ3-CD2 3.73Å; W273-L285 HydrophobicContact CZ3-CG 4.48Å; P282-L285 PolarHBondContact O-N 2.73Å; P282-L285 VanDerWaalsContact O-N 3.16Å; K283-L285 VanDerWaalsContact C-N 3.35Å; K283-L285 PolarHBondContact O-N 2.94Å; L285-D287 VanDerWaalsContact C-N 3.35Å; L285-D287 PolarHBondContact O-N 3.23Å; L285-F288 HydrophobicContact CD1-CD1 4.22Å; L285-F288 PolarHBondContact O-N 3.3Å; L285-V289 HydrophobicContact CG-CG2 4.44Å; L285-V289 WeakPolarHBondContact O-CG2 3.36Å; L285-V289 PolarHBondContact O-N 2.84Å; L285-T317 HydrophobicContact CD2-CG2 4.4Å; L285-L321 HydrophobicContact CB-CD2 4.43Å; L285-L321 HydrophobicContact CD2-CD2 3.66Å; L285-L321 HydrophobicContact CG-CD2 3.78Å; L285-F360 HydrophobicContact CB-CE1 4.3Å; L285-F360 HydrophobicContact CD2-CD1 4.48Å; L285-F360 HydrophobicContact CD2-CE1 3.74Å
286	I	97.7	Very high	93.6	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.015	22%	0.219	C	C	.	.	H	α-helix	trans	-56.6	-49.9	174.6	-65.4	166.8	0	0	0	110.2	P282 K283 F288 V289 R290 L325 C364 A367 A368	P282-I286 HydrophobicContact CB-CD1 4.44Å; P282-I286 WeakPolarHBondContact O-CG1 3.28Å; P282-I286 PolarHBondContact O-N 3.04Å; K283-I286 PolarHBondContact O-N 3.05Å; I286-F288 VanDerWaalsContact C-N 3.31Å; I286-F288 PolarHBondContact O-N 2.93Å; I286-V289 PolarHBondContact O-N 3.22Å; I286-R290 HydrophobicContact CG2-CG 4.28Å; I286-R290 VanDerWaalsContact CG2-NE 3.34Å; I286-R290 WeakPolarHBondContact O-CB 3.33Å; I286-R290 VanDerWaalsContact O-CG 3.22Å; I286-R290 WeakPolarHBondContact O-CG 3.03Å; I286-R290 PolarHBondContact O-N 3.08Å; I286-L325 HydrophobicContact CG2-CD1 4.21Å; I286-C364 HydrophobicContact CD1-CB 4.1Å; I286-C364 VanDerWaalsContact CD1-O 3.22Å; I286-C364 WeakPolarHBondContact CD1-O 3.28Å; I286-C364 HydrophobicContact CG1-CB 3.96Å; I286-A367 HydrophobicContact CD1-CB 4.05Å; I286-A368 HydrophobicContact CD1-CB 4.48Å
287	D	97	Very high	93.6	Very high	50 Å²	50	38.1 Å²	38.1	27%	0.267	21%	0.21	S	C	.	.	H	α-helix	trans	-60.9	-41.1	179.9	-70.7	-15.9	0	0	0	111.4	W249 K283 L285 R290 L291	W249-D287 HydrophobicContact CH2-CB 4.3Å; K283-D287 IonicContact NZ-OD1 2.69Å; K283-D287 PolarHBondContact NZ-OD1 3.1Å; K283-D287 IonicContact NZ-OD2 3.21Å; K283-D287 PolarHBondContact NZ-OD2 3.32Å; K283-D287 WeakPolarHBondContact O-CB 3.41Å; K283-D287 VanDerWaalsContact O-CG 3.24Å; K283-D287 PolarHBondContact O-N 3.39Å; L285-D287 VanDerWaalsContact C-N 3.35Å; L285-D287 PolarHBondContact O-N 3.23Å; D287-R290 PolarHBondContact O-N 3.44Å; D287-L291 WeakPolarHBondContact O-CB 3.45Å; D287-L291 PolarHBondContact O-N 2.94Å
288	F	98	Very high	92.5	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.3	-45.8	175.1	178.2	-103.7	0	0	0	112.6	V207 L209 W249 F268 F270 V284 L285 I286 R290 L291 F292 F318	V207-F288 HydrophobicContact CG1-CE1 3.9Å; V207-F288 HydrophobicContact CG1-CZ 4.17Å; L209-F288 HydrophobicContact CD2-CE1 4.16Å; W249-F288 HydrophobicContact CB-CD2 3.88Å; W249-F288 HydrophobicContact CB-CE2 3.83Å; W249-F288 AromaticContact CD2-CD2 3.77Å; W249-F288 HydrophobicContact CD2-CD2 3.77Å; W249-F288 HydrophobicContact CE3-CB 3.99Å; W249-F288 AromaticContact CE3-CD2 3.87Å; W249-F288 HydrophobicContact CE3-CD2 3.87Å; W249-F288 HydrophobicContact CE3-CG 4.37Å; W249-F288 AromaticContact CG-CD2 3.77Å; W249-F288 HydrophobicContact CG-CD2 3.77Å; W249-F288 HydrophobicContact CG-CE2 4.08Å; W249-F288 HydrophobicContact CZ3-CB 4.1Å; F268-F288 HydrophobicContact CB-CE2 3.86Å; F268-F288 HydrophobicContact CB-CZ 3.58Å; F270-F288 HydrophobicContact CB-CD1 4.3Å; F270-F288 HydrophobicContact CB-CD2 4.45Å; F270-F288 HydrophobicContact CB-CE1 3.94Å; F270-F288 HydrophobicContact CB-CE2 4.08Å; F270-F288 HydrophobicContact CB-CZ 3.8Å; F270-F288 HydrophobicContact CD2-CB 3.8Å; F270-F288 AromaticContact CD2-CD1 3.84Å; F270-F288 HydrophobicContact CD2-CD1 3.84Å; F270-F288 AromaticContact CD2-CD2 3.74Å; F270-F288 HydrophobicContact CD2-CD2 3.74Å; F270-F288 HydrophobicContact CD2-CE1 4.32Å; F270-F288 HydrophobicContact CD2-CE2 4.22Å; F270-F288 AromaticContact CD2-CG 3.51Å; F270-F288 HydrophobicContact CD2-CG 3.51Å; F270-F288 HydrophobicContact CD2-CZ 4.48Å; F270-F288 HydrophobicContact CE2-CB 3.89Å; F270-F288 HydrophobicContact CE2-CG 4.13Å; F270-F288 HydrophobicContact CG-CD1 4.36Å; F270-F288 HydrophobicContact CG-CE1 4.47Å; F270-F288 HydrophobicContact CG-CG 4.4Å; V284-F288 PolarHBondContact O-N 2.62Å; L285-F288 HydrophobicContact CD1-CD1 4.22Å; L285-F288 PolarHBondContact O-N 3.3Å; I286-F288 VanDerWaalsContact C-N 3.31Å; I286-F288 PolarHBondContact O-N 2.93Å; F288-R290 VanDerWaalsContact C-N 3.33Å; F288-R290 PolarHBondContact O-N 2.83Å; F288-L291 PolarHBondContact O-N 3.3Å; F288-F292 WeakPolarHBondContact O-CB 3.46Å; F288-F292 PolarHBondContact O-N 3.47Å; F288-F318 HydrophobicContact CD1-CD2 4.26Å; F288-F318 AromaticContact CD1-CE2 3.97Å; F288-F318 HydrophobicContact CD1-CE2 3.97Å; F288-F318 HydrophobicContact CE1-CD2 4.09Å; F288-F318 AromaticContact CE1-CE2 3.74Å; F288-F318 HydrophobicContact CE1-CE2 3.74Å
289	V	97.6	Very high	91.2	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.012	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-42.4	176.2	172.5	0	0	0	0	110.9	L285 I286 F292 R293 F318 L321 D322 L325	L285-V289 HydrophobicContact CG-CG2 4.44Å; L285-V289 WeakPolarHBondContact O-CG2 3.36Å; L285-V289 PolarHBondContact O-N 2.84Å; I286-V289 PolarHBondContact O-N 3.22Å; V289-F292 PolarHBondContact O-N 2.81Å; V289-R293 WeakPolarHBondContact O-CB 3.49Å; V289-R293 PolarHBondContact O-N 2.83Å; V289-F318 HydrophobicContact CG2-CD2 3.78Å; V289-F318 HydrophobicContact CG2-CE2 3.71Å; V289-L321 HydrophobicContact CG2-CD2 4.13Å; V289-L321 HydrophobicContact CG2-CG 4.4Å; V289-D322 HydrophobicContact CG1-CB 3.71Å; V289-L325 HydrophobicContact CB-CD1 4.13Å; V289-L325 HydrophobicContact CG1-CD1 3.82Å
290	R	95.9	Very high	90.1	Very high	34 Å²	34	47 Å²	47	13%	0.128	26%	0.256	C	S	.	.	H	α-helix	trans	-65.2	-42	177.3	-68.4	178.1	175.4	167.6	-0.7	112.1	I286 D287 F288 R293 A294 E371	I286-R290 HydrophobicContact CG2-CG 4.28Å; I286-R290 VanDerWaalsContact CG2-NE 3.34Å; I286-R290 WeakPolarHBondContact O-CB 3.33Å; I286-R290 VanDerWaalsContact O-CG 3.22Å; I286-R290 WeakPolarHBondContact O-CG 3.03Å; I286-R290 PolarHBondContact O-N 3.08Å; D287-R290 PolarHBondContact O-N 3.44Å; F288-R290 VanDerWaalsContact C-N 3.33Å; F288-R290 PolarHBondContact O-N 2.83Å; R290-R293 PolarHBondContact O-N 3.3Å; R290-A294 VanDerWaalsContact O-CB 3.27Å; R290-A294 WeakPolarHBondContact O-CB 3.37Å; R290-A294 PolarHBondContact O-N 3.09Å; R290-E371 IonicContact CZ-OE1 3.34Å; R290-E371 IonicContact CZ-OE2 2.82Å; R290-E371 IonicContact NH1-OE1 2.71Å; R290-E371 PolarHBondContact NH1-OE1 3.22Å; R290-E371 IonicContact NH1-OE2 3.98Å; R290-E371 PolarHBondContact NH1-OE2 3.19Å; R290-E371 IonicContact NH2-OE1 3.09Å; R290-E371 IonicContact NH2-OE2 2.7Å; R290-E371 PolarHBondContact NH2-OE2 3.22Å
291	L	96.1	Very high	90	Very high	50 Å²	50	50.1 Å²	50.1	26%	0.262	27%	0.269	S	S	.	.	H	α-helix	trans	-60.8	-48.8	174.6	177.4	70.1	0	0	0	111	W249 I251 D287 F288 A294 Q295	W249-L291 HydrophobicContact CZ2-CD2 3.98Å; W249-L291 VanDerWaalsContact NE1-CD2 3.31Å; I251-L291 HydrophobicContact CD1-CD2 4.33Å; D287-L291 WeakPolarHBondContact O-CB 3.45Å; D287-L291 PolarHBondContact O-N 2.94Å; F288-L291 PolarHBondContact O-N 3.3Å; L291-A294 PolarHBondContact O-N 2.98Å; L291-Q295 WeakPolarHBondContact O-CG 3.47Å; L291-Q295 PolarHBondContact O-N 3.13Å
292	F	96.7	Very high	90.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-54.2	-54.7	175.1	157.7	-101	0	0	0	110.6	A205 V207 F268 F288 V289 A294 Q295 I296 V304 F318	A205-F292 HydrophobicContact CB-CE2 4.39Å; V207-F292 HydrophobicContact CG2-CD2 3.8Å; V207-F292 HydrophobicContact CG2-CE2 3.7Å; V207-F292 HydrophobicContact CG2-CZ 4.36Å; F268-F292 HydrophobicContact CD1-CB 4.17Å; F268-F292 HydrophobicContact CD1-CD2 4.48Å; F268-F292 AromaticContact CD2-CD2 3.95Å; F268-F292 HydrophobicContact CD2-CD2 3.95Å; F268-F292 HydrophobicContact CE1-CB 4.34Å; F268-F292 HydrophobicContact CE2-CD2 4.03Å; F268-F292 HydrophobicContact CG-CD2 4.21Å; F268-F292 HydrophobicContact CZ-CD2 4.33Å; F288-F292 WeakPolarHBondContact O-CB 3.46Å; F288-F292 PolarHBondContact O-N 3.47Å; V289-F292 PolarHBondContact O-N 2.81Å; F292-A294 VanDerWaalsContact C-N 3.3Å; F292-A294 PolarHBondContact O-N 3.13Å; F292-Q295 PolarHBondContact O-N 2.85Å; F292-I296 HydrophobicContact CD2-CG1 3.76Å; F292-I296 HydrophobicContact CE2-CB 4.44Å; F292-I296 HydrophobicContact CE2-CD1 4.49Å; F292-I296 HydrophobicContact CE2-CG1 3.49Å; F292-I296 VanDerWaalsContact CE2-CG1 3.49Å; F292-I296 HydrophobicContact CZ-CG1 4.13Å; F292-I296 WeakPolarHBondContact O-CG1 3.24Å; F292-I296 PolarHBondContact O-N 2.82Å; F292-I296 VanDerWaalsContact O-N 3.07Å; F292-V304 HydrophobicContact CE2-CG1 3.74Å; F292-V304 HydrophobicContact CE2-CG2 4.27Å; F292-V304 HydrophobicContact CZ-CB 4.35Å; F292-V304 HydrophobicContact CZ-CG1 3.83Å; F292-V304 HydrophobicContact CZ-CG2 4.02Å; F292-F318 HydrophobicContact CD1-CE2 4.43Å; F292-F318 AromaticContact CD1-CZ 3.65Å; F292-F318 HydrophobicContact CD1-CZ 3.65Å; F292-F318 HydrophobicContact CD2-CZ 4.44Å; F292-F318 HydrophobicContact CE1-CE1 4.35Å; F292-F318 AromaticContact CE1-CZ 3.85Å; F292-F318 HydrophobicContact CE1-CZ 3.85Å; F292-F318 AromaticContact CG-CZ 3.97Å; F292-F318 HydrophobicContact CG-CZ 3.97Å; F292-F318 HydrophobicContact CZ-CZ 4.34Å
293	R	94.6	Very high	90.2	Very high	27 Å²	27	48.7 Å²	48.7	10%	0.102	26%	0.26	C	S	.	.	H	α-helix	trans	-66.6	-30.7	-175.7	-168.6	56.9	62	175	6.1	113	E179 Y180 V289 R290 Q295 D322	E179-R293 IonicContact OE1-CZ 2.93Å; E179-R293 VanDerWaalsContact OE1-CZ 3.27Å; E179-R293 IonicContact OE1-NH1 3.21Å; E179-R293 PolarHBondContact OE1-NH1 3.24Å; E179-R293 IonicContact OE1-NH2 3.17Å; E179-R293 PolarHBondContact OE1-NH2 2.76Å; Y180-R293 PolarHBondContact OH-NH2 3.46Å; V289-R293 WeakPolarHBondContact O-CB 3.49Å; V289-R293 PolarHBondContact O-N 2.83Å; R290-R293 PolarHBondContact O-N 3.3Å; R293-Q295 VanDerWaalsContact C-N 3.28Å; R293-Q295 PolarHBondContact O-N 2.81Å; R293-D322 IonicContact CZ-OD1 3.63Å; R293-D322 IonicContact CZ-OD2 3.12Å; R293-D322 IonicContact NE-OD1 2.72Å; R293-D322 PolarHBondContact NE-OD1 3.34Å; R293-D322 IonicContact NE-OD2 3.9Å; R293-D322 IonicContact NH2-OD1 2.74Å; R293-D322 PolarHBondContact NH2-OD1 3.49Å; R293-D322 VanDerWaalsContact NH2-OD1 3.09Å; R293-D322 IonicContact NH2-OD2 2.68Å; R293-D322 PolarHBondContact NH2-OD2 3.19Å
294	A	93.9	Very high	90.3	Very high	90 Å²	90	43.8 Å²	43.8	74%	0.744	24%	0.239	S	C	*	.	H	α-helix	trans	-70.4	-22.7	173.4	0	0	0	0	0	113.3	R290 L291 F292	R290-A294 VanDerWaalsContact O-CB 3.27Å; R290-A294 WeakPolarHBondContact O-CB 3.37Å; R290-A294 PolarHBondContact O-N 3.09Å; L291-A294 PolarHBondContact O-N 2.98Å; F292-A294 VanDerWaalsContact C-N 3.3Å; F292-A294 PolarHBondContact O-N 3.13Å
295	Q	93.4	Very high	90.5	Very high	68 Å²	68	43 Å²	43	32%	0.318	23%	0.234	S	C	.	.	H	α-helix	trans	-100	-14.6	-177.8	-73.2	-162.9	40	0	0	114.5	F268 L291 F292 R293	F268-Q295 HydrophobicContact CE1-CB 4.06Å; F268-Q295 HydrophobicContact CE1-CG 4.47Å; F268-Q295 HydrophobicContact CZ-CB 3.81Å; L291-Q295 WeakPolarHBondContact O-CG 3.47Å; L291-Q295 PolarHBondContact O-N 3.13Å; F292-Q295 PolarHBondContact O-N 2.85Å; R293-Q295 VanDerWaalsContact C-N 3.28Å; R293-Q295 PolarHBondContact O-N 2.81Å
296	I	89.9	Confident	90.5	Very high	22 Å²	22	43 Å²	43	11%	0.113	23%	0.234	C	C	.	.	S	Bend	trans	-101.5	123	177.4	-58.8	-49.7	0	0	0	109.5	A205 F268 F292 A298 V304	A205-I296 HydrophobicContact CB-CD1 3.47Å; A205-I296 VanDerWaalsContact CB-CD1 3.47Å; A205-I296 HydrophobicContact CB-CG1 4.08Å; F268-I296 HydrophobicContact CE2-CD1 3.78Å; F268-I296 HydrophobicContact CE2-CG1 4.26Å; F268-I296 HydrophobicContact CZ-CD1 4Å; F268-I296 HydrophobicContact CZ-CG1 4.35Å; F292-I296 HydrophobicContact CD2-CG1 3.76Å; F292-I296 HydrophobicContact CE2-CB 4.44Å; F292-I296 HydrophobicContact CE2-CD1 4.49Å; F292-I296 HydrophobicContact CE2-CG1 3.49Å; F292-I296 VanDerWaalsContact CE2-CG1 3.49Å; F292-I296 HydrophobicContact CZ-CG1 4.13Å; F292-I296 WeakPolarHBondContact O-CG1 3.24Å; F292-I296 PolarHBondContact O-N 2.82Å; F292-I296 VanDerWaalsContact O-N 3.07Å; I296-A298 PolarHBondContact O-N 2.7Å; I296-A298 VanDerWaalsContact O-N 3.11Å; I296-V304 HydrophobicContact CG2-CG2 4.41Å
297	N	75.3	Confident	90.6	Very high	89 Å²	89	42.9 Å²	42.9	48%	0.476	23%	0.234	S	C	.	.			trans	-74.1	102.8	176.5	-172.8	-5.5	0	0	0	109.9	I299 V300	N297-I299 PolarHBondContact O-N 3.34Å; N297-I299 VanDerWaalsContact O-N 3.11Å; N297-I299 VanDerWaalsContact OD1-CB 3.23Å; N297-I299 WeakPolarHBondContact OD1-CB 3.37Å; N297-I299 VanDerWaalsContact OD1-CG1 3.3Å; N297-I299 WeakPolarHBondContact OD1-CG1 3.33Å; N297-I299 PolarHBondContact OD1-N 2.71Å; N297-I299 VanDerWaalsContact OD1-N 3.08Å; N297-V300 HydrophobicContact CB-CG2 4.36Å; N297-V300 PolarHBondContact O-N 2.77Å
298	A	67	Low	90.6	Very high	43 Å²	43	40.9 Å²	40.9	36%	0.355	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.7	179.5	0	0	0	0	0	113.8	I296 V300	I296-A298 PolarHBondContact O-N 2.7Å; I296-A298 VanDerWaalsContact O-N 3.11Å; A298-V300 PolarHBondContact O-N 2.89Å
299	I	66.1	Low	90.6	Very high	136 Å²	136	41.6 Å²	41.6	70%	0.697	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-25	175.9	-59.2	171.3	0	0	0	110.8	N297 H301	N297-I299 PolarHBondContact O-N 3.34Å; N297-I299 VanDerWaalsContact O-N 3.11Å; N297-I299 VanDerWaalsContact OD1-CB 3.23Å; N297-I299 WeakPolarHBondContact OD1-CB 3.37Å; N297-I299 VanDerWaalsContact OD1-CG1 3.3Å; N297-I299 WeakPolarHBondContact OD1-CG1 3.33Å; N297-I299 PolarHBondContact OD1-N 2.71Å; N297-I299 VanDerWaalsContact OD1-N 3.08Å; I299-H301 PolarHBondContact O-N 2.68Å
300	V	72.1	Confident	90.6	Very high	58 Å²	58	42 Å²	42	35%	0.352	23%	0.232	S	C	.	.	S	Bend	trans	-87.1	102.6	179.7	-173.3	0	0	0	0	109.1	L204 N297 A298 K302	L204-V300 HydrophobicContact CD1-CB 3.72Å; L204-V300 HydrophobicContact CD1-CG1 3.46Å; L204-V300 VanDerWaalsContact CD1-CG1 3.46Å; L204-V300 HydrophobicContact CD1-CG2 4.14Å; L204-V300 HydrophobicContact CG-CG1 4.37Å; N297-V300 HydrophobicContact CB-CG2 4.36Å; N297-V300 PolarHBondContact O-N 2.77Å; A298-V300 PolarHBondContact O-N 2.89Å; V300-K302 HydrophobicContact CG1-CB 4.09Å; V300-K302 HydrophobicContact CG1-CG 3.53Å; V300-K302 PolarHBondContact O-N 3.39Å
301	H	84.4	Confident	90.7	Very high	132 Å²	132	40.4 Å²	40.4	61%	0.611	23%	0.226	S	C	*	.			trans	-69.6	53.1	176.8	-60.4	-59.2	0	0	0	113.1	I299	I299-H301 PolarHBondContact O-N 2.68Å
302	K	94	Very high	90.8	Very high	82 Å²	82	38 Å²	38	36%	0.357	21%	0.214	S	C	.	.			trans	-113.7	140	174.3	-60.9	-56.8	-174	-174.3	0	109.5	Q202 L204 V300	Q202-K302 HydrophobicContact CB-CD 4.07Å; Q202-K302 WeakPolarHBondContact O-CB 3.49Å; L204-K302 HydrophobicContact CG-CB 4.36Å; V300-K302 HydrophobicContact CG1-CB 4.09Å; V300-K302 HydrophobicContact CG1-CG 3.53Å; V300-K302 PolarHBondContact O-N 3.39Å
303	P	96.5	Very high	90.9	Very high	13 Å²	13	38.2 Å²	38.2	8%	0.084	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-65.1	147.3	-176	24.1	-31.8	0	0	0	112	E179 I181 Q201 C203	E179-P303 CarbonylContact O-C 3.36Å; E179-P303 WeakPolarHBondContact O-CA 3.45Å; I181-P303 HydrophobicContact CD1-CB 3.73Å; I181-P303 HydrophobicContact CD1-CG 3.65Å; I181-P303 HydrophobicContact CG1-CB 3.78Å; I181-P303 HydrophobicContact CG1-CG 4.25Å; Q201-P303 HydrophobicContact CB-CG 3.94Å; C203-P303 WeakPolarHBondContact CA-O 3.29Å; C203-P303 WeakPolarHBondContact CB-O 3.25Å
304	V	97.5	Very high	91	Very high	5 Å²	5	38 Å²	38	3%	0.03	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.1	167.2	174.3	0	0	0	0	108.9	E179 Y180 I181 A205 V207 F292 I296 V306	E179-V304 PolarHBondContact O-N 2.81Å; Y180-V304 CarbonylContact C-O 3.59Å; Y180-V304 VanDerWaalsContact CA-O 3.28Å; Y180-V304 WeakPolarHBondContact CA-O 3.46Å; Y180-V304 HydrophobicContact CD1-CB 4.07Å; Y180-V304 HydrophobicContact CE1-CB 4.49Å; I181-V304 PolarHBondContact N-O 3.37Å; A205-V304 HydrophobicContact CB-CG1 4.08Å; A205-V304 HydrophobicContact CB-CG2 4.23Å; V207-V304 HydrophobicContact CG2-CG1 3.91Å; F292-V304 HydrophobicContact CE2-CG1 3.74Å; F292-V304 HydrophobicContact CE2-CG2 4.27Å; F292-V304 HydrophobicContact CZ-CB 4.35Å; F292-V304 HydrophobicContact CZ-CG1 3.83Å; F292-V304 HydrophobicContact CZ-CG2 4.02Å; I296-V304 HydrophobicContact CG2-CG2 4.41Å; V304-V306 HydrophobicContact CG1-CG2 4.23Å
305	V	98.8	Very high	91.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	129.2	174.4	-179.2	0	0	0	0	108.8	I181 T183 F194 M197 V198 C203 A205 I206 V207	I181-V305 HydrophobicContact CB-CG2 4.49Å; I181-V305 CarbonylContact O-C 3.45Å; I181-V305 WeakPolarHBondContact O-CA 3.21Å; T183-V305 HydrophobicContact CG2-CG1 3.66Å; F194-V305 HydrophobicContact CE2-CG1 3.75Å; F194-V305 HydrophobicContact CZ-CG1 4.02Å; M197-V305 HydrophobicContact CE-CG1 4.07Å; M197-V305 HydrophobicContact CE-CG2 4.12Å; V198-V305 HydrophobicContact CG2-CG2 4.08Å; C203-V305 HydrophobicContact CB-CG2 4.02Å; C203-V305 VanDerWaalsContact SG-CG2 3.54Å; A205-V305 PolarHBondContact O-N 2.87Å; I206-V305 CarbonylContact C-O 3.53Å; I206-V305 VanDerWaalsContact CA-O 3.31Å; I206-V305 WeakPolarHBondContact CA-O 3.43Å; I206-V305 HydrophobicContact CG1-CB 4.17Å; I206-V305 HydrophobicContact CG2-CB 4.44Å; I206-V305 HydrophobicContact CG2-CG1 4.43Å; V207-V305 PolarHBondContact N-O 2.83Å
306	V	98.8	Very high	91.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	123.4	176.1	-173.6	0	0	0	0	108.5	Y180 I181 A182 T183 V207 L209 V304 F318 I319	Y180-V306 HydrophobicContact CD1-CG2 3.78Å; Y180-V306 HydrophobicContact CG-CG2 4.48Å; I181-V306 PolarHBondContact O-N 3.05Å; A182-V306 WeakPolarHBondContact CA-O 3.33Å; T183-V306 PolarHBondContact N-O 3.42Å; T183-V306 VanDerWaalsContact N-O 3.07Å; V207-V306 HydrophobicContact CB-CG1 4.26Å; V207-V306 HydrophobicContact CB-CG2 4.23Å; V207-V306 HydrophobicContact CG1-CG1 4.41Å; V207-V306 HydrophobicContact CG2-CG2 4.49Å; V207-V306 WeakPolarHBondContact O-CA 3.5Å; L209-V306 HydrophobicContact CD1-CG1 3.79Å; V304-V306 HydrophobicContact CG1-CG2 4.23Å; V306-F318 HydrophobicContact CG1-CD1 3.77Å; V306-F318 HydrophobicContact CG1-CE1 4.42Å; V306-F318 HydrophobicContact CG1-CG 4.48Å; V306-F318 HydrophobicContact CG2-CD1 4.14Å; V306-F318 HydrophobicContact CG2-CE1 4.07Å; V306-I319 HydrophobicContact CB-CD1 4.04Å; V306-I319 HydrophobicContact CB-CG1 4.25Å; V306-I319 HydrophobicContact CG1-CD1 4.27Å; V306-I319 HydrophobicContact CG1-CG1 4.19Å; V306-I319 HydrophobicContact CG2-CD1 4.13Å; V306-I319 HydrophobicContact CG2-CG1 3.98Å
307	H	98.8	Very high	91.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	161.3	178.3	82.7	88.8	0	0	0	112.3	T183 V207 N208 L209 Y223 S315	T183-H307 HydrophobicContact CG2-CB 3.69Å; T183-H307 WeakPolarHBondContact O-CA 3.39Å; T183-H307 WeakPolarHBondContact O-CB 3.02Å; V207-H307 PolarHBondContact O-N 2.87Å; N208-H307 VanDerWaalsContact CB-NE2 3.28Å; N208-H307 WeakPolarHBondContact CB-NE2 3.14Å; N208-H307 VanDerWaalsContact CG-NE2 3.27Å; N208-H307 PolarHBondContact OD1-CE1 2.91Å; L209-H307 PolarHBondContact N-O 3.14Å; Y223-H307 AromaticContact CE1-CE1 3.61Å; Y223-H307 AromaticContact CE1-NE2 3.38Å; Y223-H307 WeakPolarHBondContact CE1-NE2 3.35Å; Y223-H307 AromaticContact CZ-NE2 3.42Å; Y223-H307 PolarHBondContact OH-NE2 2.61Å; H307-S315 WeakPolarHBondContact CA-OG 3.39Å
308	C	97.4	Very high	93	Very high	7 Å²	7	25.2 Å²	25.2	5%	0.047	14%	0.136	C	C	.	.	S	Bend	trans	-135.4	-120.9	167	62.1	0	0	0	0	107.2	G185 L209 T210 G311 R314 S315	G185-C308 WeakPolarHBondContact CA-O 3.3Å; G185-C308 PolarHBondContact N-O 3.49Å; L209-C308 HydrophobicContact CB-CB 4.13Å; T210-C308 VanDerWaalsContact CG2-C 3.46Å; T210-C308 WeakPolarHBondContact CG2-O 3.38Å; C308-G311 PolarHBondContact SG-N 3.12Å; C308-R314 HydrophobicContact CB-CB 3.93Å; C308-R314 HydrophobicContact CB-CG 4.48Å; C308-S315 PolarHBondContact N-OG 2.99Å; C308-S315 PolarHBondContact SG-OG 3.05Å
309	S	97.6	Very high	94.5	Very high	15 Å²	15	23.1 Å²	23.1	11%	0.105	12%	0.119	C	C	.	.	S	Bend	trans	-89.8	-61.4	168	-170.9	0	0	0	0	111.9	G185 K219	G185-S309 PolarHBondContact N-O 2.9Å; K219-S309 VanDerWaalsContact O-CA 3.27Å; K219-S309 WeakPolarHBondContact O-CA 3.29Å; K219-S309 VanDerWaalsContact O-CB 3.3Å; K219-S309 WeakPolarHBondContact O-CB 3.4Å; K219-S309 PolarHBondContact O-OG 2.97Å
310	A	97.8	Very high	96.1	Very high	12 Å²	12	16.7 Å²	16.7	10%	0.099	9%	0.086	C	C	.	.	S	Bend	trans	-89.9	-14	178.7	0	0	0	0	0	113.8	F141 I144 V312 R348	F141-A310 HydrophobicContact CD2-CB 3.71Å; F141-A310 HydrophobicContact CE2-CB 3.67Å; I144-A310 HydrophobicContact CG1-CB 4.12Å; I144-A310 HydrophobicContact CG2-CB 4.23Å; I144-A310 WeakPolarHBondContact CG2-O 3.49Å; A310-V312 HydrophobicContact CB-CG2 3.97Å; A310-R348 PolarHBondContact O-NH2 3.35Å
311	G	98.4	Very high	97.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.069	C	C	.	.	S	Bend	trans	73.6	30	-176.5	0	0	0	0	0	114.4	T183 C308 R348	T183-G311 WeakPolarHBondContact O-CA 3.25Å; C308-G311 PolarHBondContact SG-N 3.12Å; G311-R348 PolarHBondContact O-NE 3.07Å
312	V	98.4	Very high	98	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.041	C	C	.	.	S	Bend	trans	-133.4	-53.4	-176.1	-58	0	0	0	0	113.4	I144 A310 G316 R348 V349 W350 M351 V352 Q353	I144-V312 HydrophobicContact CD1-CG2 4.27Å; I144-V312 HydrophobicContact CG2-CG1 3.57Å; A310-V312 HydrophobicContact CB-CG2 3.97Å; V312-G316 VanDerWaalsContact O-CA 3.32Å; V312-G316 WeakPolarHBondContact O-CA 3.47Å; V312-G316 PolarHBondContact O-N 3.24Å; V312-R348 HydrophobicContact CG1-CG 4.38Å; V312-V349 HydrophobicContact CG1-CG1 4.36Å; V312-V349 WeakPolarHBondContact CG1-O 3.5Å; V312-W350 HydrophobicContact CB-CB 4.23Å; V312-W350 HydrophobicContact CG2-CB 4.19Å; V312-M351 HydrophobicContact CB-SD 4.4Å; V312-M351 HydrophobicContact CG1-SD 4.48Å; V312-M351 WeakPolarHBondContact O-CA 3.46Å; V312-V352 PolarHBondContact O-N 3.04Å; V312-Q353 HydrophobicContact CG2-CB 4.38Å; V312-Q353 HydrophobicContact CG2-CG 4.48Å
313	G	97.5	Very high	98.2	Very high	3 Å²	3	4.7 Å²	4.7	3%	0.031	3%	0.028	C	C	.	.	H	α-helix	trans	-68.5	-84.1	-175.7	0	0	0	0	0	112.5	S315 G316 T317 Q357	G313-S315 VanDerWaalsContact C-N 3.29Å; G313-S315 PolarHBondContact O-N 3.48Å; G313-G316 PolarHBondContact O-N 3.26Å; G313-G316 VanDerWaalsContact O-N 3.1Å; G313-T317 PolarHBondContact O-N 3.02Å; G313-T317 PolarHBondContact O-OG1 2.82Å; G313-T317 VanDerWaalsContact O-OG1 3.05Å; G313-Q357 VanDerWaalsContact CA-OE1 3.23Å
314	R	98.3	Very high	98.2	Very high	23 Å²	23	4.1 Å²	4.1	9%	0.087	2%	0.024	C	C	.	.	H	α-helix	trans	-56.7	-41.8	178.5	-53.2	-177	-178.4	156.6	4.7	112.4	L209 T210 E214 W273 P274 C308 G316 T317 F318	L209-R314 HydrophobicContact CB-CB 3.91Å; L209-R314 HydrophobicContact CD1-CB 4.34Å; L209-R314 WeakPolarHBondContact CD1-O 3.37Å; L209-R314 WeakPolarHBondContact O-CD 3.4Å; L209-R314 PolarHBondContact O-NH1 2.85Å; T210-R314 PolarHBondContact OG1-NH1 3.39Å; T210-R314 VanDerWaalsContact OG1-NH1 3.14Å; E214-R314 IonicContact OE1-CZ 2.63Å; E214-R314 IonicContact OE1-NH1 3.56Å; E214-R314 PolarHBondContact OE1-NH1 3.34Å; E214-R314 IonicContact OE1-NH2 2.9Å; E214-R314 IonicContact OE2-CZ 2.87Å; E214-R314 IonicContact OE2-NH1 2.91Å; E214-R314 PolarHBondContact OE2-NH1 3.09Å; E214-R314 IonicContact OE2-NH2 3.09Å; E214-R314 PolarHBondContact OE2-NH2 3.35Å; W273-R314 HydrophobicContact CD2-CB 4.16Å; W273-R314 HydrophobicContact CD2-CG 3.73Å; W273-R314 HydrophobicContact CE3-CB 4.12Å; W273-R314 HydrophobicContact CE3-CG 4.21Å; W273-R314 VanDerWaalsContact CG-CD 3.44Å; W273-R314 HydrophobicContact CG-CG 4.13Å; W273-R314 VanDerWaalsContact CG-NE 3.34Å; W273-R314 HydrophobicContact CH2-CB 4.1Å; W273-R314 HydrophobicContact CH2-CG 4.36Å; W273-R314 HydrophobicContact CZ2-CB 4.11Å; W273-R314 HydrophobicContact CZ2-CG 3.88Å; W273-R314 HydrophobicContact CZ3-CB 4.09Å; W273-R314 HydrophobicContact CZ3-CG 4.5Å; P274-R314 PolarHBondContact O-NH2 3.3Å; C308-R314 HydrophobicContact CB-CB 3.93Å; C308-R314 HydrophobicContact CB-CG 4.48Å; R314-G316 PolarHBondContact O-N 2.65Å; R314-T317 WeakPolarHBondContact O-CB 3.06Å; R314-T317 PolarHBondContact O-N 3.29Å; R314-F318 PolarHBondContact O-N 3.43Å
315	S	98.7	Very high	98.2	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-57.2	-46.2	174.9	-59.5	0	0	0	0	112.4	H307 C308 G313 F318 I319	H307-S315 WeakPolarHBondContact CA-OG 3.39Å; C308-S315 PolarHBondContact N-OG 2.99Å; C308-S315 PolarHBondContact SG-OG 3.05Å; G313-S315 VanDerWaalsContact C-N 3.29Å; G313-S315 PolarHBondContact O-N 3.48Å; S315-F318 PolarHBondContact O-N 3.32Å; S315-I319 WeakPolarHBondContact O-CB 3.14Å; S315-I319 WeakPolarHBondContact O-CG1 3.28Å; S315-I319 PolarHBondContact O-N 2.89Å
316	G	98.6	Very high	98	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-67.1	-38.9	176.1	0	0	0	0	0	112.6	V312 G313 R314 F318 I319 A320 M344 M351	V312-G316 VanDerWaalsContact O-CA 3.32Å; V312-G316 WeakPolarHBondContact O-CA 3.47Å; V312-G316 PolarHBondContact O-N 3.24Å; G313-G316 PolarHBondContact O-N 3.26Å; G313-G316 VanDerWaalsContact O-N 3.1Å; R314-G316 PolarHBondContact O-N 2.65Å; G316-F318 PolarHBondContact O-N 3.32Å; G316-I319 PolarHBondContact O-N 3.32Å; G316-A320 VanDerWaalsContact O-CB 3.22Å; G316-A320 WeakPolarHBondContact O-CB 3.42Å; G316-A320 PolarHBondContact O-N 2.98Å; G316-M344 WeakPolarHBondContact O-CE 3.08Å; G316-M351 VanDerWaalsContact CA-CE 3.44Å
317	T	98.6	Very high	97.8	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-60.8	-44.4	174.8	-51.5	0	0	0	0	111.9	W273 L285 G313 R314 L321 Q357 F360 I361	W273-T317 HydrophobicContact CH2-CG2 3.64Å; W273-T317 HydrophobicContact CZ2-CG2 4.2Å; L285-T317 HydrophobicContact CD2-CG2 4.4Å; G313-T317 PolarHBondContact O-N 3.02Å; G313-T317 PolarHBondContact O-OG1 2.82Å; G313-T317 VanDerWaalsContact O-OG1 3.05Å; R314-T317 WeakPolarHBondContact O-CB 3.06Å; R314-T317 PolarHBondContact O-N 3.29Å; T317-L321 WeakPolarHBondContact O-CB 3.35Å; T317-L321 PolarHBondContact O-N 2.86Å; T317-Q357 WeakPolarHBondContact OG1-CB 3.21Å; T317-F360 HydrophobicContact CG2-CD1 4.32Å; T317-I361 HydrophobicContact CG2-CD1 4.28Å; T317-I361 HydrophobicContact CG2-CG1 3.78Å
318	F	98.7	Very high	97.6	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-63.2	-50.7	176.4	172.2	-91.2	0	0	0	111.9	V207 L209 F288 V289 F292 V306 R314 S315 G316 A320 L321 D322	V207-F318 HydrophobicContact CB-CE1 4.17Å; V207-F318 HydrophobicContact CB-CZ 4.26Å; V207-F318 HydrophobicContact CG1-CD1 4.1Å; V207-F318 HydrophobicContact CG1-CD2 4.08Å; V207-F318 HydrophobicContact CG1-CE1 3.88Å; V207-F318 HydrophobicContact CG1-CE2 3.84Å; V207-F318 HydrophobicContact CG1-CG 4.2Å; V207-F318 HydrophobicContact CG1-CZ 3.75Å; V207-F318 HydrophobicContact CG2-CE1 3.87Å; V207-F318 HydrophobicContact CG2-CZ 3.74Å; L209-F318 HydrophobicContact CD1-CB 3.49Å; L209-F318 VanDerWaalsContact CD1-CB 3.49Å; L209-F318 HydrophobicContact CD1-CG 4.02Å; L209-F318 HydrophobicContact CD2-CB 4.1Å; L209-F318 HydrophobicContact CD2-CD2 4.1Å; L209-F318 HydrophobicContact CD2-CG 4.25Å; L209-F318 HydrophobicContact CG-CB 4.44Å; F288-F318 HydrophobicContact CD1-CD2 4.26Å; F288-F318 AromaticContact CD1-CE2 3.97Å; F288-F318 HydrophobicContact CD1-CE2 3.97Å; F288-F318 HydrophobicContact CE1-CD2 4.09Å; F288-F318 AromaticContact CE1-CE2 3.74Å; F288-F318 HydrophobicContact CE1-CE2 3.74Å; V289-F318 HydrophobicContact CG2-CD2 3.78Å; V289-F318 HydrophobicContact CG2-CE2 3.71Å; F292-F318 HydrophobicContact CD1-CE2 4.43Å; F292-F318 AromaticContact CD1-CZ 3.65Å; F292-F318 HydrophobicContact CD1-CZ 3.65Å; F292-F318 HydrophobicContact CD2-CZ 4.44Å; F292-F318 HydrophobicContact CE1-CE1 4.35Å; F292-F318 AromaticContact CE1-CZ 3.85Å; F292-F318 HydrophobicContact CE1-CZ 3.85Å; F292-F318 AromaticContact CG-CZ 3.97Å; F292-F318 HydrophobicContact CG-CZ 3.97Å; F292-F318 HydrophobicContact CZ-CZ 4.34Å; V306-F318 HydrophobicContact CG1-CD1 3.77Å; V306-F318 HydrophobicContact CG1-CE1 4.42Å; V306-F318 HydrophobicContact CG1-CG 4.48Å; V306-F318 HydrophobicContact CG2-CD1 4.14Å; V306-F318 HydrophobicContact CG2-CE1 4.07Å; R314-F318 PolarHBondContact O-N 3.43Å; S315-F318 PolarHBondContact O-N 3.32Å; G316-F318 PolarHBondContact O-N 3.32Å; F318-A320 PolarHBondContact O-N 3.33Å; F318-L321 PolarHBondContact O-N 2.8Å; F318-D322 WeakPolarHBondContact O-CB 3.38Å; F318-D322 PolarHBondContact O-N 2.97Å
319	I	98.7	Very high	97.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61.6	-46.2	-178.3	-70.9	167.4	0	0	0	110.7	I171 Y180 A182 V306 S315 G316 D322 Q323 M344 M351	I171-I319 HydrophobicContact CB-CD1 4.47Å; I171-I319 HydrophobicContact CG1-CD1 4.37Å; I171-I319 HydrophobicContact CG2-CD1 4.5Å; I171-I319 HydrophobicContact CG2-CG2 3.97Å; Y180-I319 HydrophobicContact CD1-CG1 4.16Å; Y180-I319 HydrophobicContact CD2-CG1 4.22Å; Y180-I319 HydrophobicContact CD2-CG2 3.67Å; Y180-I319 HydrophobicContact CE2-CG2 3.75Å; Y180-I319 HydrophobicContact CG-CD1 4.15Å; Y180-I319 HydrophobicContact CG-CG1 3.99Å; Y180-I319 HydrophobicContact CG-CG2 4.3Å; A182-I319 HydrophobicContact CB-CD1 4.16Å; V306-I319 HydrophobicContact CB-CD1 4.04Å; V306-I319 HydrophobicContact CB-CG1 4.25Å; V306-I319 HydrophobicContact CG1-CD1 4.27Å; V306-I319 HydrophobicContact CG1-CG1 4.19Å; V306-I319 HydrophobicContact CG2-CD1 4.13Å; V306-I319 HydrophobicContact CG2-CG1 3.98Å; S315-I319 WeakPolarHBondContact O-CB 3.14Å; S315-I319 WeakPolarHBondContact O-CG1 3.28Å; S315-I319 PolarHBondContact O-N 2.89Å; G316-I319 PolarHBondContact O-N 3.32Å; I319-D322 PolarHBondContact O-N 2.98Å; I319-Q323 VanDerWaalsContact CG2-NE2 3.28Å; I319-Q323 WeakPolarHBondContact O-CG 3.4Å; I319-Q323 PolarHBondContact O-N 2.69Å; I319-Q323 VanDerWaalsContact O-N 3.12Å; I319-M344 HydrophobicContact CB-CE 3.69Å; I319-M344 HydrophobicContact CG2-CE 3.55Å; I319-M344 HydrophobicContact CG2-SD 4.03Å; I319-M351 HydrophobicContact CD1-CE 3.88Å
320	A	98.7	Very high	97	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-61.8	-47.6	177.8	0	0	0	0	0	110.9	G316 F318 D322 Q323 L324 T340 V341 M344 V352 I361	G316-A320 VanDerWaalsContact O-CB 3.22Å; G316-A320 WeakPolarHBondContact O-CB 3.42Å; G316-A320 PolarHBondContact O-N 2.98Å; F318-A320 PolarHBondContact O-N 3.33Å; A320-D322 PolarHBondContact O-N 2.96Å; A320-Q323 PolarHBondContact O-N 3.14Å; A320-L324 HydrophobicContact CB-CD1 4.31Å; A320-L324 WeakPolarHBondContact O-CB 3.38Å; A320-L324 VanDerWaalsContact O-CD1 3.22Å; A320-L324 WeakPolarHBondContact O-CD1 3.28Å; A320-L324 WeakPolarHBondContact O-CG 3.42Å; A320-L324 PolarHBondContact O-N 3.08Å; A320-T340 HydrophobicContact CB-CG2 4.1Å; A320-V341 HydrophobicContact CB-CG2 4.44Å; A320-M344 HydrophobicContact CB-CE 4.29Å; A320-M344 HydrophobicContact CB-SD 3.85Å; A320-V352 HydrophobicContact CB-CG2 4.37Å; A320-I361 HydrophobicContact CB-CD1 3.9Å
321	L	98.6	Very high	96.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.7	-41.8	-179.6	-179	60.2	0	0	0	112.1	L285 V289 T317 F318 L324 L325 C364 L365	L285-L321 HydrophobicContact CB-CD2 4.43Å; L285-L321 HydrophobicContact CD2-CD2 3.66Å; L285-L321 HydrophobicContact CG-CD2 3.78Å; V289-L321 HydrophobicContact CG2-CD2 4.13Å; V289-L321 HydrophobicContact CG2-CG 4.4Å; T317-L321 WeakPolarHBondContact O-CB 3.35Å; T317-L321 PolarHBondContact O-N 2.86Å; F318-L321 PolarHBondContact O-N 2.8Å; L321-L324 PolarHBondContact O-N 3.12Å; L321-L325 HydrophobicContact CD1-CD1 3.97Å; L321-L325 HydrophobicContact CD1-CD2 4.29Å; L321-L325 HydrophobicContact CD1-CG 3.79Å; L321-L325 HydrophobicContact CD2-CD1 4.47Å; L321-L325 HydrophobicContact CG-CD1 3.87Å; L321-L325 HydrophobicContact CG-CG 4.13Å; L321-L325 VanDerWaalsContact O-CB 3.3Å; L321-L325 WeakPolarHBondContact O-CB 3.04Å; L321-L325 WeakPolarHBondContact O-CG 3.46Å; L321-L325 PolarHBondContact O-N 2.9Å; L321-C364 HydrophobicContact CD1-CB 3.47Å; L321-C364 VanDerWaalsContact CD1-CB 3.47Å; L321-C364 HydrophobicContact CD2-CB 3.96Å; L321-C364 HydrophobicContact CG-CB 4.39Å; L321-L365 HydrophobicContact CD1-CD2 4.33Å
322	D	98.1	Very high	96.2	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.011	12%	0.124	C	C	.	.	H	α-helix	trans	-61.1	-47.6	176.3	175.2	99.9	0	0	0	111.8	Y180 V289 R293 F318 I319 A320 L324 L325 Q326	Y180-D322 VanDerWaalsContact OH-CG 3.3Å; Y180-D322 PolarHBondContact OH-OD2 2.68Å; V289-D322 HydrophobicContact CG1-CB 3.71Å; R293-D322 IonicContact CZ-OD1 3.63Å; R293-D322 IonicContact CZ-OD2 3.12Å; R293-D322 IonicContact NE-OD1 2.72Å; R293-D322 PolarHBondContact NE-OD1 3.34Å; R293-D322 IonicContact NE-OD2 3.9Å; R293-D322 IonicContact NH2-OD1 2.74Å; R293-D322 PolarHBondContact NH2-OD1 3.49Å; R293-D322 VanDerWaalsContact NH2-OD1 3.09Å; R293-D322 IonicContact NH2-OD2 2.68Å; R293-D322 PolarHBondContact NH2-OD2 3.19Å; F318-D322 WeakPolarHBondContact O-CB 3.38Å; F318-D322 PolarHBondContact O-N 2.97Å; I319-D322 PolarHBondContact O-N 2.98Å; A320-D322 PolarHBondContact O-N 2.96Å; D322-L324 VanDerWaalsContact C-N 3.33Å; D322-L324 PolarHBondContact O-N 2.85Å; D322-L325 PolarHBondContact O-N 3.07Å; D322-Q326 WeakPolarHBondContact O-CG 3.34Å; D322-Q326 PolarHBondContact O-N 3.46Å; D322-Q326 VanDerWaalsContact O-N 3.09Å; D322-Q326 PolarHBondContact OD2-NE2 3.35Å
323	Q	97.2	Very high	96	Very high	19 Å²	19	26.1 Å²	26.1	9%	0.089	14%	0.142	C	C	.	.	H	α-helix	trans	-58.7	-46.5	176.6	-69.7	-176.7	57.9	0	0	111.8	S172 Y180 I319 A320 Q326 H327 T340	S172-Q323 PolarHBondContact O-NE2 3.3Å; Y180-Q323 HydrophobicContact CE2-CG 4.37Å; I319-Q323 VanDerWaalsContact CG2-NE2 3.28Å; I319-Q323 WeakPolarHBondContact O-CG 3.4Å; I319-Q323 PolarHBondContact O-N 2.69Å; I319-Q323 VanDerWaalsContact O-N 3.12Å; A320-Q323 PolarHBondContact O-N 3.14Å; Q323-Q326 WeakPolarHBondContact O-CB 3.32Å; Q323-Q326 PolarHBondContact O-N 3.23Å; Q323-H327 PolarHBondContact O-N 2.59Å; Q323-H327 VanDerWaalsContact O-N 3.11Å; Q323-H327 PolarHBondContact O-ND1 3.45Å; Q323-T340 HydrophobicContact CB-CG2 4.47Å
324	L	97.9	Very high	95.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-70.6	-34.6	-176.5	-67	157.5	0	0	0	111.3	A320 L321 D322 Q326 H327 V328 I335 V337 T340 I361 L365	A320-L324 HydrophobicContact CB-CD1 4.31Å; A320-L324 WeakPolarHBondContact O-CB 3.38Å; A320-L324 VanDerWaalsContact O-CD1 3.22Å; A320-L324 WeakPolarHBondContact O-CD1 3.28Å; A320-L324 WeakPolarHBondContact O-CG 3.42Å; A320-L324 PolarHBondContact O-N 3.08Å; L321-L324 PolarHBondContact O-N 3.12Å; D322-L324 VanDerWaalsContact C-N 3.33Å; D322-L324 PolarHBondContact O-N 2.85Å; L324-Q326 VanDerWaalsContact C-N 3.31Å; L324-Q326 PolarHBondContact O-N 3.35Å; L324-H327 WeakPolarHBondContact O-CB 3.38Å; L324-H327 PolarHBondContact O-N 3.11Å; L324-V328 WeakPolarHBondContact O-CG2 3.16Å; L324-V328 PolarHBondContact O-N 2.87Å; L324-I335 HydrophobicContact CD2-CG2 3.77Å; L324-V337 HydrophobicContact CD1-CB 4.37Å; L324-V337 HydrophobicContact CD1-CG1 4.04Å; L324-V337 HydrophobicContact CD1-CG2 4.18Å; L324-V337 HydrophobicContact CD2-CG2 4.35Å; L324-T340 HydrophobicContact CD1-CG2 4.23Å; L324-T340 WeakPolarHBondContact CD2-OG1 3.23Å; L324-T340 HydrophobicContact CG-CG2 4.24Å; L324-I361 HydrophobicContact CD1-CG2 3.63Å; L324-L365 HydrophobicContact CB-CD1 3.99Å; L324-L365 HydrophobicContact CB-CD2 3.51Å; L324-L365 HydrophobicContact CB-CG 4.29Å; L324-L365 HydrophobicContact CD1-CD1 3.96Å; L324-L365 HydrophobicContact CD2-CD1 4.41Å; L324-L365 HydrophobicContact CG-CD1 4.34Å
325	L	97	Very high	95.8	Very high	7 Å²	7	27.5 Å²	27.5	4%	0.037	15%	0.152	C	C	.	.	H	α-helix	trans	-67.6	-30.3	173.2	-74.1	178.9	0	0	0	112.7	I286 V289 L321 D322 V328 R329 L365 A368	I286-L325 HydrophobicContact CG2-CD1 4.21Å; V289-L325 HydrophobicContact CB-CD1 4.13Å; V289-L325 HydrophobicContact CG1-CD1 3.82Å; L321-L325 HydrophobicContact CD1-CD1 3.97Å; L321-L325 HydrophobicContact CD1-CD2 4.29Å; L321-L325 HydrophobicContact CD1-CG 3.79Å; L321-L325 HydrophobicContact CD2-CD1 4.47Å; L321-L325 HydrophobicContact CG-CD1 3.87Å; L321-L325 HydrophobicContact CG-CG 4.13Å; L321-L325 VanDerWaalsContact O-CB 3.3Å; L321-L325 WeakPolarHBondContact O-CB 3.04Å; L321-L325 WeakPolarHBondContact O-CG 3.46Å; L321-L325 PolarHBondContact O-N 2.9Å; D322-L325 PolarHBondContact O-N 3.07Å; L325-V328 PolarHBondContact O-N 2.83Å; L325-R329 WeakPolarHBondContact O-CG 3.29Å; L325-R329 PolarHBondContact O-N 3.27Å; L325-L365 HydrophobicContact CD2-CD2 4.32Å; L325-A368 HydrophobicContact CD2-CB 3.3Å
326	Q	95	Very high	95.7	Very high	25 Å²	25	28.6 Å²	28.6	12%	0.117	16%	0.158	C	C	.	.	H	α-helix	trans	-66.9	-43.9	170.3	-68.5	-178.5	84.3	0	0	111	Y174 N175 D322 Q323 L324 V328 R329 S330	Y174-Q326 HydrophobicContact CD1-CB 3.83Å; Y174-Q326 HydrophobicContact CD1-CG 4.47Å; Y174-Q326 HydrophobicContact CD2-CB 3.99Å; Y174-Q326 HydrophobicContact CE1-CB 4.24Å; Y174-Q326 HydrophobicContact CE2-CB 4.39Å; Y174-Q326 HydrophobicContact CG-CB 3.7Å; Y174-Q326 HydrophobicContact CG-CG 4.48Å; N175-Q326 PolarHBondContact ND2-OE1 2.92Å; D322-Q326 WeakPolarHBondContact O-CG 3.34Å; D322-Q326 PolarHBondContact O-N 3.46Å; D322-Q326 VanDerWaalsContact O-N 3.09Å; D322-Q326 PolarHBondContact OD2-NE2 3.35Å; Q323-Q326 WeakPolarHBondContact O-CB 3.32Å; Q323-Q326 PolarHBondContact O-N 3.23Å; L324-Q326 VanDerWaalsContact C-N 3.31Å; L324-Q326 PolarHBondContact O-N 3.35Å; Q326-V328 PolarHBondContact O-N 2.73Å; Q326-R329 PolarHBondContact O-N 3.13Å; Q326-R329 VanDerWaalsContact O-N 3.14Å; Q326-S330 PolarHBondContact O-N 2.98Å
327	H	93.8	Very high	95.7	Very high	52 Å²	52	28.9 Å²	28.9	24%	0.241	16%	0.16	C	C	.	.	H	α-helix	trans	-61.1	-39.4	171.2	-69.6	93.1	0	0	0	112.7	K93 Y174 Q323 L324 R329 S330 I335	K93-H327 WeakPolarHBondContact CE-O 3.37Å; K93-H327 PolarHBondContact NZ-O 2.72Å; Y174-H327 AromaticContact CD2-CE1 3.37Å; Y174-H327 WeakPolarHBondContact CD2-CE1 3.38Å; Y174-H327 AromaticContact CD2-CG 3.97Å; Y174-H327 AromaticContact CD2-ND1 3.48Å; Y174-H327 WeakPolarHBondContact CD2-ND1 3.19Å; Y174-H327 AromaticContact CD2-NE2 3.76Å; Y174-H327 AromaticContact CE2-CD2 3.62Å; Y174-H327 AromaticContact CE2-CE1 3.67Å; Y174-H327 AromaticContact CE2-CG 3.69Å; Y174-H327 AromaticContact CE2-ND1 3.71Å; Y174-H327 AromaticContact CE2-NE2 3.6Å; Q323-H327 PolarHBondContact O-N 2.59Å; Q323-H327 VanDerWaalsContact O-N 3.11Å; Q323-H327 PolarHBondContact O-ND1 3.45Å; L324-H327 WeakPolarHBondContact O-CB 3.38Å; L324-H327 PolarHBondContact O-N 3.11Å; H327-R329 PolarHBondContact O-N 3.25Å; H327-S330 PolarHBondContact O-N 3.42Å; H327-S330 VanDerWaalsContact O-N 3.17Å; H327-S330 PolarHBondContact O-OG 3.32Å; H327-I335 HydrophobicContact CB-CD1 3.63Å
328	V	94.1	Very high	95.7	Very high	7 Å²	7	29.1 Å²	29.1	4%	0.042	16%	0.16	C	C	.	.	H	α-helix	trans	-58.3	-37.3	175.6	170.1	0	0	0	0	111.1	K93 L324 L325 Q326 I335 L365 A368 I369	K93-V328 PolarHBondContact NZ-O 2.72Å; L324-V328 WeakPolarHBondContact O-CG2 3.16Å; L324-V328 PolarHBondContact O-N 2.87Å; L325-V328 PolarHBondContact O-N 2.83Å; Q326-V328 PolarHBondContact O-N 2.73Å; V328-I335 HydrophobicContact CG2-CD1 3.75Å; V328-I335 HydrophobicContact CG2-CG1 4.36Å; V328-L365 HydrophobicContact CG2-CD2 3.83Å; V328-A368 HydrophobicContact CG1-CB 4.48Å; V328-I369 HydrophobicContact CG1-CG1 3.97Å; V328-I369 HydrophobicContact CG2-CD1 4.4Å; V328-I369 HydrophobicContact CG2-CG1 3.9Å
329	R	91.5	Very high	95.6	Very high	134 Å²	134	31.1 Å²	31.1	51%	0.506	17%	0.17	S	C	.	.	H	α-helix	trans	-79.5	-24.7	178.1	-69.4	168.8	171.6	-174.1	-8	114.2	L325 Q326 H327	L325-R329 WeakPolarHBondContact O-CG 3.29Å; L325-R329 PolarHBondContact O-N 3.27Å; Q326-R329 PolarHBondContact O-N 3.13Å; Q326-R329 VanDerWaalsContact O-N 3.14Å; H327-R329 PolarHBondContact O-N 3.25Å
330	S	91	Very high	95.6	Very high	19 Å²	19	32 Å²	32	13%	0.133	18%	0.175	C	C	.	.	S	Bend	trans	-69.5	168.6	179.4	80	0	0	0	0	111.9	K93 Y174 Q326 H327 D332	K93-S330 PolarHBondContact NZ-O 3.38Å; Y174-S330 WeakPolarHBondContact OH-CB 3.35Å; Q326-S330 PolarHBondContact O-N 2.98Å; H327-S330 PolarHBondContact O-N 3.42Å; H327-S330 VanDerWaalsContact O-N 3.17Å; H327-S330 PolarHBondContact O-OG 3.32Å; S330-D332 PolarHBondContact O-N 3.14Å; S330-D332 WeakPolarHBondContact OG-CB 3.34Å; S330-D332 VanDerWaalsContact OG-CG 3.31Å; S330-D332 PolarHBondContact OG-N 3.09Å; S330-D332 PolarHBondContact OG-OD2 2.75Å
331	A	90	Very high	95.6	Very high	105 Å²	105	32 Å²	32	87%	0.868	18%	0.175	S	C	*	.	S	Bend	trans	-70.9	-13.5	174	0	0	0	0	0	112.9	D333	A331-D333 PolarHBondContact O-N 3.42Å
332	D	90.7	Very high	95.6	Very high	84 Å²	84	35 Å²	35	45%	0.449	19%	0.187	S	C	.	.			trans	-63.2	132.1	179.1	-51.9	-49.5	0	0	0	109.5	K93 S330 V334	K93-D332 WeakPolarHBondContact CE-O 3.4Å; K93-D332 PolarHBondContact NZ-O 2.99Å; S330-D332 PolarHBondContact O-N 3.14Å; S330-D332 WeakPolarHBondContact OG-CB 3.34Å; S330-D332 VanDerWaalsContact OG-CG 3.31Å; S330-D332 PolarHBondContact OG-N 3.09Å; S330-D332 PolarHBondContact OG-OD2 2.75Å; D332-V334 VanDerWaalsContact C-N 3.31Å
333	D	92.8	Very high	95.6	Very high	68 Å²	68	38 Å²	38	36%	0.364	20%	0.201	S	C	.	.			trans	-87.2	-3.4	179.9	-172.8	47.5	0	0	0	112.8	R92 K93 A331	R92-D333 CarbonylContact C-O 3.44Å; R92-D333 VanDerWaalsContact CA-O 3.23Å; R92-D333 WeakPolarHBondContact CA-O 3.16Å; R92-D333 WeakPolarHBondContact CD-OD2 3.45Å; R92-D333 WeakPolarHBondContact CG-OD2 2.98Å; K93-D333 WeakPolarHBondContact CG-O 3.5Å; K93-D333 PolarHBondContact N-O 2.74Å; A331-D333 PolarHBondContact O-N 3.42Å
334	V	95.6	Very high	95.7	Very high	54 Å²	54	37.1 Å²	37.1	33%	0.327	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	136.6	-171.3	-179.8	0	0	0	0	111	L81 P90 D332	L81-V334 HydrophobicContact CD1-CG1 4.4Å; L81-V334 HydrophobicContact CD1-CG2 3.85Å; P90-V334 HydrophobicContact CB-CG1 3.34Å; D332-V334 VanDerWaalsContact C-N 3.31Å
335	I	96.6	Very high	95.7	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131	173.5	-57.6	-63	0	0	0	108.1	V91 K93 F96 L324 H327 V328 V337 L365	V91-I335 PolarHBondContact N-O 2.74Å; V91-I335 PolarHBondContact O-N 3.14Å; K93-I335 HydrophobicContact CG-CD1 4.45Å; K93-I335 HydrophobicContact CG-CG1 3.92Å; F96-I335 HydrophobicContact CE2-CG2 4.2Å; L324-I335 HydrophobicContact CD2-CG2 3.77Å; H327-I335 HydrophobicContact CB-CD1 3.63Å; V328-I335 HydrophobicContact CG2-CD1 3.75Å; V328-I335 HydrophobicContact CG2-CG1 4.36Å; I335-V337 HydrophobicContact CG2-CG2 4.23Å; I335-L365 HydrophobicContact CG2-CD1 3.98Å
336	D	97.3	Very high	95.8	Very high	23 Å²	23	40.8 Å²	40.8	12%	0.123	21%	0.213	C	C	.	.			trans	-129.6	90.9	178.8	-164.1	-24.2	0	0	0	110.7	S88 R89 P90 F338 E339 T340	S88-D336 WeakPolarHBondContact CA-OD2 3.27Å; S88-D336 WeakPolarHBondContact CB-OD2 3.46Å; S88-D336 PolarHBondContact OG-OD2 3.38Å; R89-D336 PolarHBondContact N-OD1 3.39Å; R89-D336 VanDerWaalsContact N-OD1 3.12Å; R89-D336 PolarHBondContact N-OD2 3.28Å; P90-D336 HydrophobicContact CB-CB 4.39Å; D336-F338 PolarHBondContact OD1-N 2.92Å; D336-E339 HydrophobicContact CB-CB 4.04Å; D336-E339 WeakPolarHBondContact OD1-CB 3.37Å; D336-E339 PolarHBondContact OD1-N 2.95Å; D336-E339 WeakPolarHBondContact OD2-CB 3.42Å; D336-T340 WeakPolarHBondContact O-CB 3.19Å; D336-T340 PolarHBondContact O-N 3.36Å; D336-T340 PolarHBondContact O-OG1 3.3Å
337	V	98.3	Very high	95.9	Very high	6 Å²	6	40.9 Å²	40.9	4%	0.036	21%	0.213	C	C	.	.	H	α-helix	trans	-68.7	-39.4	179.9	-171.9	0	0	0	0	110.7	F96 L324 I335 T340 V341 Y358 I361 H362 L365	F96-V337 HydrophobicContact CE2-CG2 4.5Å; L324-V337 HydrophobicContact CD1-CB 4.37Å; L324-V337 HydrophobicContact CD1-CG1 4.04Å; L324-V337 HydrophobicContact CD1-CG2 4.18Å; L324-V337 HydrophobicContact CD2-CG2 4.35Å; I335-V337 HydrophobicContact CG2-CG2 4.23Å; V337-T340 PolarHBondContact O-N 3.05Å; V337-V341 WeakPolarHBondContact O-CG2 3.2Å; V337-V341 PolarHBondContact O-N 3.48Å; V337-V341 VanDerWaalsContact O-N 3.08Å; V337-Y358 HydrophobicContact CG1-CE2 3.96Å; V337-I361 HydrophobicContact CG1-CB 4.43Å; V337-I361 HydrophobicContact CG1-CG2 3.79Å; V337-H362 WeakPolarHBondContact CG1-CE1 3.45Å; V337-L365 HydrophobicContact CG2-CD1 3.45Å; V337-L365 VanDerWaalsContact CG2-CD1 3.45Å
338	F	98	Very high	96.2	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-65	-49.7	-177.3	-174.6	-97.4	0	0	0	111.2	G86 S87 R89 E114 L117 L118 D336 T340 V341 Y342 Y358	G86-F338 WeakPolarHBondContact O-CE1 3.25Å; S87-F338 WeakPolarHBondContact O-CD1 3.49Å; S87-F338 VanDerWaalsContact O-CE1 3.28Å; S87-F338 WeakPolarHBondContact O-CE1 3.36Å; R89-F338 HydrophobicContact CB-CB 3.82Å; R89-F338 HydrophobicContact CB-CD1 4.5Å; R89-F338 HydrophobicContact CB-CG 4.32Å; R89-F338 HydrophobicContact CG-CB 3.87Å; R89-F338 HydrophobicContact CG-CD1 3.78Å; R89-F338 HydrophobicContact CG-CE1 4.5Å; R89-F338 HydrophobicContact CG-CG 3.8Å; E114-F338 HydrophobicContact CG-CD2 3.42Å; E114-F338 VanDerWaalsContact CG-CD2 3.42Å; E114-F338 HydrophobicContact CG-CE2 3.72Å; E114-F338 HydrophobicContact CG-CG 4.36Å; E114-F338 WeakPolarHBondContact O-CE2 3.11Å; L117-F338 HydrophobicContact CB-CE2 4.11Å; L117-F338 HydrophobicContact CB-CZ 3.96Å; L118-F338 HydrophobicContact CD1-CD2 4.23Å; L118-F338 HydrophobicContact CD1-CE2 4.21Å; L118-F338 HydrophobicContact CD2-CD2 4.09Å; L118-F338 HydrophobicContact CD2-CE1 4.48Å; L118-F338 HydrophobicContact CD2-CE2 3.7Å; L118-F338 HydrophobicContact CD2-CZ 3.9Å; L118-F338 HydrophobicContact CG-CD2 4.1Å; L118-F338 HydrophobicContact CG-CE2 3.61Å; L118-F338 HydrophobicContact CG-CZ 4.2Å; D336-F338 PolarHBondContact OD1-N 2.92Å; F338-T340 VanDerWaalsContact C-N 3.34Å; F338-T340 PolarHBondContact O-N 3.18Å; F338-V341 PolarHBondContact O-N 2.9Å; F338-Y342 HydrophobicContact CE1-CD2 4.16Å; F338-Y342 HydrophobicContact CZ-CD2 4.5Å; F338-Y342 WeakPolarHBondContact O-CB 3.25Å; F338-Y342 PolarHBondContact O-N 3.09Å; F338-Y358 WeakPolarHBondContact CA-OH 3.08Å; F338-Y358 WeakPolarHBondContact CB-OH 3.47Å
339	E	97.4	Very high	96.4	Very high	43 Å²	43	38 Å²	38	20%	0.201	20%	0.199	C	C	.	.	H	α-helix	trans	-61.9	-41.3	177	-178.9	62.2	-150.9	0	0	111.5	S87 S88 D336 V341 Y342 Q343	S87-E339 WeakPolarHBondContact CB-OE2 3.42Å; S87-E339 WeakPolarHBondContact O-CA 3.45Å; S87-E339 PolarHBondContact OG-OE2 3.36Å; S88-E339 WeakPolarHBondContact CB-OE2 3.42Å; S88-E339 PolarHBondContact N-OE2 2.87Å; D336-E339 HydrophobicContact CB-CB 4.04Å; D336-E339 WeakPolarHBondContact OD1-CB 3.37Å; D336-E339 PolarHBondContact OD1-N 2.95Å; D336-E339 WeakPolarHBondContact OD2-CB 3.42Å; E339-V341 PolarHBondContact O-N 3.22Å; E339-Y342 WeakPolarHBondContact O-CB 3.35Å; E339-Y342 PolarHBondContact O-N 3.01Å; E339-Q343 HydrophobicContact CG-CG 4.46Å; E339-Q343 WeakPolarHBondContact O-CG 3.45Å; E339-Q343 PolarHBondContact O-N 2.83Å; E339-Q343 VanDerWaalsContact OE1-CD 3.31Å; E339-Q343 WeakPolarHBondContact OE1-CG 3.44Å; E339-Q343 PolarHBondContact OE1-NE2 2.94Å
340	T	98.4	Very high	96.7	Very high	17 Å²	17	34.5 Å²	34.5	10%	0.104	19%	0.186	C	C	.	.	H	α-helix	trans	-56.4	-51	177	-60.4	0	0	0	0	110.7	A320 Q323 L324 D336 V337 F338 M344	A320-T340 HydrophobicContact CB-CG2 4.1Å; Q323-T340 HydrophobicContact CB-CG2 4.47Å; L324-T340 HydrophobicContact CD1-CG2 4.23Å; L324-T340 WeakPolarHBondContact CD2-OG1 3.23Å; L324-T340 HydrophobicContact CG-CG2 4.24Å; D336-T340 WeakPolarHBondContact O-CB 3.19Å; D336-T340 PolarHBondContact O-N 3.36Å; D336-T340 PolarHBondContact O-OG1 3.3Å; V337-T340 PolarHBondContact O-N 3.05Å; F338-T340 VanDerWaalsContact C-N 3.34Å; F338-T340 PolarHBondContact O-N 3.18Å; T340-M344 HydrophobicContact CG2-SD 4.04Å; T340-M344 WeakPolarHBondContact O-CG 3.41Å; T340-M344 PolarHBondContact O-N 3Å
341	V	98.7	Very high	97.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-69.8	-36.1	178.6	-178.6	0	0	0	0	111.4	L118 A320 V337 F338 E339 Q343 M344 R345 V352 Y358	L118-V341 HydrophobicContact CD1-CB 4.17Å; L118-V341 HydrophobicContact CD1-CG1 3.77Å; L118-V341 HydrophobicContact CD2-CG1 4.46Å; A320-V341 HydrophobicContact CB-CG2 4.44Å; V337-V341 WeakPolarHBondContact O-CG2 3.2Å; V337-V341 PolarHBondContact O-N 3.48Å; V337-V341 VanDerWaalsContact O-N 3.08Å; F338-V341 PolarHBondContact O-N 2.9Å; E339-V341 PolarHBondContact O-N 3.22Å; V341-Q343 PolarHBondContact O-N 2.83Å; V341-M344 PolarHBondContact O-N 3.05Å; V341-R345 HydrophobicContact CG1-CG 4.2Å; V341-R345 WeakPolarHBondContact O-CB 3.25Å; V341-R345 WeakPolarHBondContact O-CG 3.48Å; V341-R345 PolarHBondContact O-N 2.63Å; V341-V352 HydrophobicContact CG1-CB 3.97Å; V341-V352 HydrophobicContact CG1-CG2 4.1Å; V341-V352 HydrophobicContact CG2-CB 4.37Å; V341-V352 HydrophobicContact CG2-CG2 3.83Å; V341-Y358 HydrophobicContact CB-CE2 4.34Å; V341-Y358 HydrophobicContact CG2-CD2 4.1Å; V341-Y358 HydrophobicContact CG2-CE2 3.98Å
342	Y	98.3	Very high	97.5	Very high	63 Å²	63	28.6 Å²	28.6	25%	0.247	14%	0.138	C	C	.	.	H	α-helix	trans	-58.2	-47.9	176.7	-174	-80.5	0	0	0	111.5	S87 L118 V121 F338 E339 R345 K346	S87-Y342 VanDerWaalsContact CB-CE1 3.42Å; L118-Y342 HydrophobicContact CD2-CD2 4.16Å; V121-Y342 HydrophobicContact CB-CE2 4.42Å; V121-Y342 HydrophobicContact CG1-CD1 4.33Å; V121-Y342 HydrophobicContact CG1-CD2 4.09Å; V121-Y342 HydrophobicContact CG1-CE1 4.28Å; V121-Y342 HydrophobicContact CG1-CE2 4.03Å; V121-Y342 HydrophobicContact CG1-CG 4.22Å; V121-Y342 WeakPolarHBondContact CG1-O 3.46Å; V121-Y342 HydrophobicContact CG2-CD2 3.6Å; V121-Y342 HydrophobicContact CG2-CE2 3.45Å; V121-Y342 VanDerWaalsContact CG2-CE2 3.45Å; V121-Y342 HydrophobicContact CG2-CG 4.47Å; F338-Y342 HydrophobicContact CE1-CD2 4.16Å; F338-Y342 HydrophobicContact CZ-CD2 4.5Å; F338-Y342 WeakPolarHBondContact O-CB 3.25Å; F338-Y342 PolarHBondContact O-N 3.09Å; E339-Y342 WeakPolarHBondContact O-CB 3.35Å; E339-Y342 PolarHBondContact O-N 3.01Å; Y342-R345 WeakPolarHBondContact O-CB 2.91Å; Y342-R345 PolarHBondContact O-N 2.93Å; Y342-K346 HydrophobicContact CD1-CD 4.16Å; Y342-K346 HydrophobicContact CE1-CD 3.8Å; Y342-K346 HydrophobicContact CE1-CG 4.43Å; Y342-K346 PolarHBondContact O-N 3.27Å
343	Q	98.2	Very high	97.8	Very high	65 Å²	65	28.9 Å²	28.9	30%	0.304	14%	0.137	S	C	.	.	H	α-helix	trans	-65.8	-43.5	177.9	-67.3	-57.7	-32.6	0	0	111.7	E339 V341 R345 K346 E347	E339-Q343 HydrophobicContact CG-CG 4.46Å; E339-Q343 WeakPolarHBondContact O-CG 3.45Å; E339-Q343 PolarHBondContact O-N 2.83Å; E339-Q343 VanDerWaalsContact OE1-CD 3.31Å; E339-Q343 WeakPolarHBondContact OE1-CG 3.44Å; E339-Q343 PolarHBondContact OE1-NE2 2.94Å; V341-Q343 PolarHBondContact O-N 2.83Å; Q343-R345 VanDerWaalsContact C-N 3.26Å; Q343-R345 PolarHBondContact O-N 3.49Å; Q343-K346 WeakPolarHBondContact O-CB 3.35Å; Q343-K346 PolarHBondContact O-N 2.83Å; Q343-E347 PolarHBondContact O-N 2.88Å
344	M	98.8	Very high	98	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-59.8	-36.5	175.8	-66.5	169	62.8	0	0	112.3	I171 G316 I319 A320 T340 V341 K346 E347 R348 M351	I171-M344 HydrophobicContact CG2-CB 4.43Å; I171-M344 HydrophobicContact CG2-CE 4.49Å; I171-M344 HydrophobicContact CG2-CG 3.86Å; G316-M344 WeakPolarHBondContact O-CE 3.08Å; I319-M344 HydrophobicContact CB-CE 3.69Å; I319-M344 HydrophobicContact CG2-CE 3.55Å; I319-M344 HydrophobicContact CG2-SD 4.03Å; A320-M344 HydrophobicContact CB-CE 4.29Å; A320-M344 HydrophobicContact CB-SD 3.85Å; T340-M344 HydrophobicContact CG2-SD 4.04Å; T340-M344 WeakPolarHBondContact O-CG 3.41Å; T340-M344 PolarHBondContact O-N 3Å; V341-M344 PolarHBondContact O-N 3.05Å; M344-K346 VanDerWaalsContact C-N 3.25Å; M344-K346 PolarHBondContact O-N 2.86Å; M344-E347 PolarHBondContact O-N 2.91Å; M344-E347 VanDerWaalsContact O-N 3.12Å; M344-R348 PolarHBondContact O-N 3.29Å; M344-M351 HydrophobicContact CB-CB 3.86Å; M344-M351 HydrophobicContact CB-CG 4.17Å; M344-M351 HydrophobicContact CE-CB 4.19Å; M344-M351 HydrophobicContact CE-CE 3.56Å
345	R	98.6	Very high	98.1	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.008	13%	0.13	C	C	.	.	H	α-helix	trans	-67.9	-21.5	175.8	-75.2	-75.4	-174.7	98.5	3.3	113.6	L118 V121 Y147 V341 Y342 Q343 R348 M351 V352	L118-R345 PolarHBondContact O-NH1 3.31Å; V121-R345 HydrophobicContact CB-CB 3.93Å; V121-R345 HydrophobicContact CG1-CB 3.63Å; Y147-R345 WeakPolarHBondContact CE2-O 3.34Å; V341-R345 HydrophobicContact CG1-CG 4.2Å; V341-R345 WeakPolarHBondContact O-CB 3.25Å; V341-R345 WeakPolarHBondContact O-CG 3.48Å; V341-R345 PolarHBondContact O-N 2.63Å; Y342-R345 WeakPolarHBondContact O-CB 2.91Å; Y342-R345 PolarHBondContact O-N 2.93Å; Q343-R345 VanDerWaalsContact C-N 3.26Å; Q343-R345 PolarHBondContact O-N 3.49Å; R345-R348 WeakPolarHBondContact CA-O 3.4Å; R345-M351 PolarHBondContact NE-O 3.31Å; R345-M351 PolarHBondContact NH2-O 3.04Å; R345-V352 PolarHBondContact NH2-O 2.8Å
346	K	98.4	Very high	98.1	Very high	82 Å²	82	32 Å²	32	36%	0.357	15%	0.15	S	C	.	.	H	α-helix	trans	-75.3	-32.9	170.6	-66.7	175.1	64.4	-170.4	0	111	V121 L125 Y147 Y149 Y342 Q343 M344	V121-K346 HydrophobicContact CG1-CG 3.88Å; L125-K346 WeakPolarHBondContact CD1-O 3.41Å; Y147-K346 VanDerWaalsContact CD2-O 3.25Å; Y147-K346 WeakPolarHBondContact CD2-O 3.33Å; Y149-K346 VanDerWaalsContact CE1-O 3.25Å; Y149-K346 WeakPolarHBondContact CE1-O 3.45Å; Y149-K346 PolarHBondContact OH-O 3.32Å; Y342-K346 HydrophobicContact CD1-CD 4.16Å; Y342-K346 HydrophobicContact CE1-CD 3.8Å; Y342-K346 HydrophobicContact CE1-CG 4.43Å; Y342-K346 PolarHBondContact O-N 3.27Å; Q343-K346 WeakPolarHBondContact O-CB 3.35Å; Q343-K346 PolarHBondContact O-N 2.83Å; M344-K346 VanDerWaalsContact C-N 3.25Å; M344-K346 PolarHBondContact O-N 2.86Å
347	E	98.7	Very high	98.1	Very high	26 Å²	26	31.7 Å²	31.7	12%	0.121	15%	0.148	C	C	.	.	H	α-helix	trans	-89.3	-31.3	-174.9	-61.9	174.3	143.3	0	0	114	Y149 S150 N169 I171 S172 Q343 M344	Y149-E347 VanDerWaalsContact OH-CA 3.24Å; Y149-E347 WeakPolarHBondContact OH-CA 3.39Å; Y149-E347 WeakPolarHBondContact OH-CG 3.47Å; Y149-E347 PolarHBondContact OH-N 3.11Å; S150-E347 PolarHBondContact OG-O 3.03Å; N169-E347 WeakPolarHBondContact CB-O 2.9Å; N169-E347 PolarHBondContact ND2-O 2.9Å; I171-E347 VanDerWaalsContact CA-OE2 3.3Å; I171-E347 WeakPolarHBondContact CA-OE2 3.46Å; I171-E347 HydrophobicContact CD1-CB 3.69Å; I171-E347 WeakPolarHBondContact CG2-OE2 3.19Å; S172-E347 WeakPolarHBondContact CB-OE1 3.4Å; S172-E347 PolarHBondContact N-OE1 3.45Å; S172-E347 PolarHBondContact N-OE2 3.45Å; S172-E347 PolarHBondContact OG-OE1 3.24Å; Q343-E347 PolarHBondContact O-N 2.88Å; M344-E347 PolarHBondContact O-N 2.91Å; M344-E347 VanDerWaalsContact O-N 3.12Å
348	R	98.7	Very high	98.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-147.1	145.3	171.4	-177.7	169.4	177.5	82.5	-2	111.2	Y147 N167 N169 I171 A310 G311 V312 M344 R345 M351	Y147-R348 VanDerWaalsContact CE2-C 3.45Å; N167-R348 PolarHBondContact OD1-NH1 3.33Å; N167-R348 PolarHBondContact OD1-NH2 2.86Å; N169-R348 HydrophobicContact CB-CB 3.97Å; N169-R348 HydrophobicContact CB-CG 4.35Å; N169-R348 WeakPolarHBondContact OD1-CG 3.19Å; N169-R348 PolarHBondContact OD1-NH1 3.37Å; I171-R348 HydrophobicContact CD1-CB 3.59Å; A310-R348 PolarHBondContact O-NH2 3.35Å; G311-R348 PolarHBondContact O-NE 3.07Å; V312-R348 HydrophobicContact CG1-CG 4.38Å; M344-R348 PolarHBondContact O-N 3.29Å; R345-R348 WeakPolarHBondContact CA-O 3.4Å; R348-M351 HydrophobicContact CB-CG 3.81Å; R348-M351 HydrophobicContact CB-SD 3.96Å; R348-M351 HydrophobicContact CG-CG 4.31Å; R348-M351 HydrophobicContact CG-SD 3.97Å; R348-M351 WeakPolarHBondContact O-CG 3.48Å
349	V	98.3	Very high	98.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	141.5	-179.3	76.4	0	0	0	0	111.9	I144 Y147 V312 M351	I144-V349 HydrophobicContact CG2-CG1 4.03Å; Y147-V349 HydrophobicContact CE1-CB 4.5Å; Y147-V349 HydrophobicContact CE2-CB 4.41Å; V312-V349 HydrophobicContact CG1-CG1 4.36Å; V312-V349 WeakPolarHBondContact CG1-O 3.5Å; V349-M351 PolarHBondContact O-N 2.93Å
350	W	98.1	Very high	98.1	Very high	60 Å²	60	29.9 Å²	29.9	23%	0.227	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	16	168.2	-64.2	122.4	0	0	0	117.4	K119 V312 V352 Q353	K119-W350 HydrophobicContact CG-CZ3 4.27Å; V312-W350 HydrophobicContact CB-CB 4.23Å; V312-W350 HydrophobicContact CG2-CB 4.19Å; W350-V352 CarbonylContact O-C 3.56Å; W350-V352 PolarHBondContact O-N 2.94Å; W350-Q353 HydrophobicContact CB-CG 4.48Å; W350-Q353 VanDerWaalsContact O-CA 3.32Å; W350-Q353 WeakPolarHBondContact O-CA 3.47Å; W350-Q353 PolarHBondContact O-N 2.73Å
351	M	98.7	Very high	98.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-50.1	126.7	175.1	-67.2	-57.1	-77.3	0	0	111.5	I171 A182 V312 G316 I319 M344 R345 R348 V349	I171-M351 HydrophobicContact CD1-CE 4.32Å; I171-M351 HydrophobicContact CG1-CE 4.27Å; A182-M351 HydrophobicContact CB-CE 3.97Å; A182-M351 HydrophobicContact CB-SD 4.32Å; V312-M351 HydrophobicContact CB-SD 4.4Å; V312-M351 HydrophobicContact CG1-SD 4.48Å; V312-M351 WeakPolarHBondContact O-CA 3.46Å; G316-M351 VanDerWaalsContact CA-CE 3.44Å; I319-M351 HydrophobicContact CD1-CE 3.88Å; M344-M351 HydrophobicContact CB-CB 3.86Å; M344-M351 HydrophobicContact CB-CG 4.17Å; M344-M351 HydrophobicContact CE-CB 4.19Å; M344-M351 HydrophobicContact CE-CE 3.56Å; R345-M351 PolarHBondContact NE-O 3.31Å; R345-M351 PolarHBondContact NH2-O 3.04Å; R348-M351 HydrophobicContact CB-CG 3.81Å; R348-M351 HydrophobicContact CB-SD 3.96Å; R348-M351 HydrophobicContact CG-CG 4.31Å; R348-M351 HydrophobicContact CG-SD 3.97Å; R348-M351 WeakPolarHBondContact O-CG 3.48Å; V349-M351 PolarHBondContact O-N 2.93Å
352	V	98.4	Very high	98.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	58.4	87.4	-162.7	-172.2	0	0	0	0	110.1	F115 V312 A320 V341 R345 W350 Q357 Y358 I361	F115-V352 HydrophobicContact CE2-CG1 4.44Å; V312-V352 PolarHBondContact O-N 3.04Å; A320-V352 HydrophobicContact CB-CG2 4.37Å; V341-V352 HydrophobicContact CG1-CB 3.97Å; V341-V352 HydrophobicContact CG1-CG2 4.1Å; V341-V352 HydrophobicContact CG2-CB 4.37Å; V341-V352 HydrophobicContact CG2-CG2 3.83Å; R345-V352 PolarHBondContact NH2-O 2.8Å; W350-V352 CarbonylContact O-C 3.56Å; W350-V352 PolarHBondContact O-N 2.94Å; V352-Q357 HydrophobicContact CG1-CB 3.88Å; V352-Y358 HydrophobicContact CG1-CD2 4.36Å; V352-I361 HydrophobicContact CG1-CD1 3.99Å; V352-I361 HydrophobicContact CG2-CD1 3.77Å
353	Q	97.2	Very high	98.1	Very high	89 Å²	89	28 Å²	28	42%	0.416	13%	0.132	S	C	.	.			trans	-83.1	-30.8	-160.4	-173.1	178.1	33.4	0	0	113.6	V312 W350	V312-Q353 HydrophobicContact CG2-CB 4.38Å; V312-Q353 HydrophobicContact CG2-CG 4.48Å; W350-Q353 HydrophobicContact CB-CG 4.48Å; W350-Q353 VanDerWaalsContact O-CA 3.32Å; W350-Q353 WeakPolarHBondContact O-CA 3.47Å; W350-Q353 PolarHBondContact O-N 2.73Å
354	S	97	Very high	98.1	Very high	38 Å²	38	25 Å²	25	27%	0.266	12%	0.118	S	C	.	.	S	Bend	trans	-119.4	155	-177.6	68.6	0	0	0	0	112.5	F115 Q356 Q357 Y358	F115-S354 VanDerWaalsContact CZ-C 3.43Å; S354-Q356 VanDerWaalsContact C-N 3.27Å; S354-Q356 PolarHBondContact O-N 2.86Å; S354-Q357 WeakPolarHBondContact O-CB 3.45Å; S354-Q357 PolarHBondContact O-N 2.74Å; S354-Q357 VanDerWaalsContact O-N 3.08Å; S354-Q357 WeakPolarHBondContact OG-CG 3.3Å; S354-Q357 PolarHBondContact OG-N 3.39Å; S354-Y358 PolarHBondContact O-N 3.05Å; S354-Y358 VanDerWaalsContact O-N 3.1Å
355	E	97.3	Very high	98	Very high	59 Å²	59	24.9 Å²	24.9	28%	0.276	12%	0.117	S	C	.	.	H	α-helix	trans	-57.8	-41.7	173.2	-176.4	-179.1	155.4	0	0	111.4	S112 F115 Q357 Y358 V359	S112-E355 WeakPolarHBondContact CA-OE1 3.42Å; S112-E355 WeakPolarHBondContact CB-OE1 3.21Å; S112-E355 PolarHBondContact OG-OE1 3.44Å; S112-E355 PolarHBondContact OG-OE2 2.84Å; F115-E355 HydrophobicContact CD1-CB 3.87Å; F115-E355 HydrophobicContact CE1-CB 4.25Å; F115-E355 HydrophobicContact CG-CB 4.33Å; E355-Q357 PolarHBondContact O-N 3Å; E355-Y358 WeakPolarHBondContact O-CA 3.27Å; E355-Y358 WeakPolarHBondContact O-CB 3.17Å; E355-Y358 PolarHBondContact O-N 3.36Å; E355-V359 HydrophobicContact CG-CG2 4.26Å; E355-V359 WeakPolarHBondContact O-CG2 3.22Å; E355-V359 PolarHBondContact O-N 3.35Å
356	Q	97	Very high	98	Very high	94 Å²	94	25.3 Å²	25.3	44%	0.439	12%	0.12	S	C	.	.	H	α-helix	trans	-56.3	-38.8	175.3	-69	178.3	-0	0	0	112.4	V278 S354 F360	V278-Q356 HydrophobicContact CG1-CB 4.36Å; S354-Q356 VanDerWaalsContact C-N 3.27Å; S354-Q356 PolarHBondContact O-N 2.86Å; Q356-F360 WeakPolarHBondContact O-CB 3.21Å; Q356-F360 PolarHBondContact O-N 2.98Å
357	Q	97.9	Very high	97.9	Very high	16 Å²	16	23 Å²	23	8%	0.075	12%	0.115	C	C	.	.	H	α-helix	trans	-68.5	-38.8	175.1	-75.6	165.8	1	0	0	111.8	V278 G313 T317 V352 S354 E355 F360 I361	V278-Q357 HydrophobicContact CG1-CB 4.47Å; V278-Q357 HydrophobicContact CG1-CG 3.92Å; G313-Q357 VanDerWaalsContact CA-OE1 3.23Å; T317-Q357 WeakPolarHBondContact OG1-CB 3.21Å; V352-Q357 HydrophobicContact CG1-CB 3.88Å; S354-Q357 WeakPolarHBondContact O-CB 3.45Å; S354-Q357 PolarHBondContact O-N 2.74Å; S354-Q357 VanDerWaalsContact O-N 3.08Å; S354-Q357 WeakPolarHBondContact OG-CG 3.3Å; S354-Q357 PolarHBondContact OG-N 3.39Å; E355-Q357 PolarHBondContact O-N 3Å; Q357-F360 PolarHBondContact O-N 2.88Å; Q357-I361 WeakPolarHBondContact O-CG1 3.43Å; Q357-I361 PolarHBondContact O-N 3.24Å; Q357-I361 VanDerWaalsContact O-N 3.14Å
358	Y	98.3	Very high	97.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65	-48.7	177.6	-172.5	-105.7	0	0	0	112	F111 E114 F115 L118 V337 F338 V341 V352 S354 E355 F360 I361 H362	F111-Y358 HydrophobicContact CD1-CD1 4.23Å; F111-Y358 HydrophobicContact CD1-CE1 4.15Å; E114-Y358 VanDerWaalsContact OE1-CE1 3.31Å; E114-Y358 WeakPolarHBondContact OE1-CE1 2.82Å; E114-Y358 PolarHBondContact OE1-OH 2.77Å; F115-Y358 HydrophobicContact CB-CD1 4.26Å; F115-Y358 HydrophobicContact CD2-CD1 4.08Å; F115-Y358 AromaticContact CD2-CD2 3.97Å; F115-Y358 HydrophobicContact CD2-CD2 3.97Å; F115-Y358 AromaticContact CD2-CG 3.61Å; F115-Y358 HydrophobicContact CD2-CG 3.61Å; F115-Y358 HydrophobicContact CE2-CD2 4.4Å; F115-Y358 HydrophobicContact CE2-CG 4.24Å; F115-Y358 HydrophobicContact CG-CG 4.48Å; L118-Y358 HydrophobicContact CD1-CD2 4.24Å; L118-Y358 HydrophobicContact CD1-CE2 3.88Å; V337-Y358 HydrophobicContact CG1-CE2 3.96Å; F338-Y358 WeakPolarHBondContact CA-OH 3.08Å; F338-Y358 WeakPolarHBondContact CB-OH 3.47Å; V341-Y358 HydrophobicContact CB-CE2 4.34Å; V341-Y358 HydrophobicContact CG2-CD2 4.1Å; V341-Y358 HydrophobicContact CG2-CE2 3.98Å; V352-Y358 HydrophobicContact CG1-CD2 4.36Å; S354-Y358 PolarHBondContact O-N 3.05Å; S354-Y358 VanDerWaalsContact O-N 3.1Å; E355-Y358 WeakPolarHBondContact O-CA 3.27Å; E355-Y358 WeakPolarHBondContact O-CB 3.17Å; E355-Y358 PolarHBondContact O-N 3.36Å; Y358-F360 VanDerWaalsContact C-N 3.3Å; Y358-F360 PolarHBondContact O-N 2.78Å; Y358-I361 WeakPolarHBondContact O-CB 3.22Å; Y358-I361 PolarHBondContact O-N 3.21Å; Y358-H362 AromaticContact CD1-CE1 3.88Å; Y358-H362 AromaticContact CE1-CE1 3.43Å; Y358-H362 VanDerWaalsContact CE1-CE1 3.43Å; Y358-H362 WeakPolarHBondContact CE1-CE1 3.47Å; Y358-H362 AromaticContact CZ-CE1 3.54Å; Y358-H362 PolarHBondContact O-N 2.56Å; Y358-H362 PolarHBondContact O-ND1 3.08Å
359	V	97.7	Very high	97.7	Very high	11 Å²	11	22.1 Å²	22.1	7%	0.067	11%	0.112	C	C	.	.	H	α-helix	trans	-61.8	-39.9	174.8	177.8	0	0	0	0	110.8	F111 E355 I361 H362 H363	F111-V359 HydrophobicContact CB-CG2 3.82Å; F111-V359 HydrophobicContact CD1-CG2 4.09Å; F111-V359 HydrophobicContact CD2-CG1 4.26Å; F111-V359 HydrophobicContact CD2-CG2 3.83Å; F111-V359 HydrophobicContact CE2-CG1 4.15Å; F111-V359 HydrophobicContact CE2-CG2 4.39Å; F111-V359 HydrophobicContact CG-CG2 3.67Å; E355-V359 HydrophobicContact CG-CG2 4.26Å; E355-V359 WeakPolarHBondContact O-CG2 3.22Å; E355-V359 PolarHBondContact O-N 3.35Å; V359-I361 VanDerWaalsContact C-N 3.32Å; V359-I361 PolarHBondContact O-N 3.17Å; V359-H362 WeakPolarHBondContact O-CB 3.33Å; V359-H362 PolarHBondContact O-N 2.82Å; V359-H363 PolarHBondContact O-CD2 2.99Å; V359-H363 PolarHBondContact O-N 3.36Å
360	F	98.1	Very high	97.5	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.018	13%	0.127	C	C	.	.	H	α-helix	trans	-62.5	-34.8	177.8	-175.2	-107.3	0	0	0	113.7	V278 P279 P282 L285 T317 Q356 Q357 Y358 H362 H363 C364	V278-F360 HydrophobicContact CB-CB 3.98Å; V278-F360 HydrophobicContact CB-CD1 4.05Å; V278-F360 HydrophobicContact CB-CD2 3.83Å; V278-F360 HydrophobicContact CB-CE1 4.5Å; V278-F360 HydrophobicContact CB-CE2 4.31Å; V278-F360 HydrophobicContact CB-CG 3.68Å; V278-F360 HydrophobicContact CG1-CB 3.75Å; V278-F360 HydrophobicContact CG1-CD1 4.28Å; V278-F360 HydrophobicContact CG1-CG 3.96Å; V278-F360 HydrophobicContact CG2-CB 4.04Å; V278-F360 HydrophobicContact CG2-CD2 3.62Å; V278-F360 HydrophobicContact CG2-CE2 4.24Å; V278-F360 HydrophobicContact CG2-CG 3.89Å; P279-F360 HydrophobicContact CB-CZ 3.89Å; P279-F360 HydrophobicContact CG-CE1 4.12Å; P279-F360 HydrophobicContact CG-CZ 4Å; P279-F360 WeakPolarHBondContact O-CE2 3.49Å; P282-F360 HydrophobicContact CB-CE2 4.27Å; P282-F360 HydrophobicContact CB-CZ 4.48Å; P282-F360 HydrophobicContact CG-CE2 3.92Å; L285-F360 HydrophobicContact CB-CE1 4.3Å; L285-F360 HydrophobicContact CD2-CD1 4.48Å; L285-F360 HydrophobicContact CD2-CE1 3.74Å; T317-F360 HydrophobicContact CG2-CD1 4.32Å; Q356-F360 WeakPolarHBondContact O-CB 3.21Å; Q356-F360 PolarHBondContact O-N 2.98Å; Q357-F360 PolarHBondContact O-N 2.88Å; Y358-F360 VanDerWaalsContact C-N 3.3Å; Y358-F360 PolarHBondContact O-N 2.78Å; F360-H362 VanDerWaalsContact C-N 3.27Å; F360-H362 PolarHBondContact O-N 3.35Å; F360-H363 PolarHBondContact O-N 3.29Å; F360-C364 VanDerWaalsContact CE1-SG 3.53Å; F360-C364 PolarHBondContact O-N 2.89Å; F360-C364 PolarHBondContact O-SG 2.81Å
361	I	98.5	Very high	97.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.4	-44.8	172.2	-66.8	162.5	0	0	0	109.7	T317 A320 L324 V337 V352 Q357 Y358 V359 C364 L365	T317-I361 HydrophobicContact CG2-CD1 4.28Å; T317-I361 HydrophobicContact CG2-CG1 3.78Å; A320-I361 HydrophobicContact CB-CD1 3.9Å; L324-I361 HydrophobicContact CD1-CG2 3.63Å; V337-I361 HydrophobicContact CG1-CB 4.43Å; V337-I361 HydrophobicContact CG1-CG2 3.79Å; V352-I361 HydrophobicContact CG1-CD1 3.99Å; V352-I361 HydrophobicContact CG2-CD1 3.77Å; Q357-I361 WeakPolarHBondContact O-CG1 3.43Å; Q357-I361 PolarHBondContact O-N 3.24Å; Q357-I361 VanDerWaalsContact O-N 3.14Å; Y358-I361 WeakPolarHBondContact O-CB 3.22Å; Y358-I361 PolarHBondContact O-N 3.21Å; V359-I361 VanDerWaalsContact C-N 3.32Å; V359-I361 PolarHBondContact O-N 3.17Å; I361-C364 WeakPolarHBondContact O-CB 3.44Å; I361-C364 PolarHBondContact O-N 2.75Å; I361-L365 HydrophobicContact CG2-CD1 3.99Å; I361-L365 HydrophobicContact CG2-CG 4.44Å; I361-L365 WeakPolarHBondContact O-CG 3.48Å; I361-L365 PolarHBondContact O-N 2.99Å
362	H	98.4	Very high	96.7	Very high	3 Å²	3	26.1 Å²	26.1	1%	0.014	14%	0.135	C	C	.	.	H	α-helix	trans	-65.5	-41.3	179.7	-64.2	74.1	0	0	0	112.4	F96 M100 F111 V337 Y358 V359 F360 C364 L365 L366	F96-H362 WeakPolarHBondContact CE1-O 3.43Å; F96-H362 HydrophobicContact CZ-CB 4.33Å; M100-H362 HydrophobicContact CE-CB 4.02Å; M100-H362 HydrophobicContact SD-CB 3.34Å; M100-H362 WeakPolarHBondContact SD-CB 3.2Å; F111-H362 HydrophobicContact CE1-CB 4.32Å; F111-H362 AromaticContact CE1-CD2 3.68Å; F111-H362 AromaticContact CE1-CE1 3.73Å; F111-H362 AromaticContact CE1-CG 3.67Å; F111-H362 AromaticContact CE1-ND1 3.69Å; F111-H362 AromaticContact CE1-NE2 3.75Å; F111-H362 HydrophobicContact CZ-CB 4.07Å; F111-H362 AromaticContact CZ-CG 3.9Å; V337-H362 WeakPolarHBondContact CG1-CE1 3.45Å; Y358-H362 AromaticContact CD1-CE1 3.88Å; Y358-H362 AromaticContact CE1-CE1 3.43Å; Y358-H362 VanDerWaalsContact CE1-CE1 3.43Å; Y358-H362 WeakPolarHBondContact CE1-CE1 3.47Å; Y358-H362 AromaticContact CZ-CE1 3.54Å; Y358-H362 PolarHBondContact O-N 2.56Å; Y358-H362 PolarHBondContact O-ND1 3.08Å; V359-H362 WeakPolarHBondContact O-CB 3.33Å; V359-H362 PolarHBondContact O-N 2.82Å; F360-H362 VanDerWaalsContact C-N 3.27Å; F360-H362 PolarHBondContact O-N 3.35Å; H362-C364 VanDerWaalsContact C-N 3.29Å; H362-C364 PolarHBondContact O-N 2.86Å; H362-L365 PolarHBondContact O-N 3.28Å; H362-L365 VanDerWaalsContact O-N 3.16Å; H362-L366 PolarHBondContact O-N 3.45Å
363	H	97.5	Very high	96.2	Very high	38 Å²	38	30.4 Å²	30.4	18%	0.176	16%	0.156	C	C	.	.	H	α-helix	trans	-60	-39.6	172.2	-73.6	-59.8	0	0	0	112.6	M100 P282 V359 F360 L365 A367	M100-H363 WeakPolarHBondContact CE-ND1 3.18Å; P282-H363 HydrophobicContact CG-CB 4.04Å; V359-H363 PolarHBondContact O-CD2 2.99Å; V359-H363 PolarHBondContact O-N 3.36Å; F360-H363 PolarHBondContact O-N 3.29Å; H363-L365 VanDerWaalsContact C-N 3.32Å; H363-L365 PolarHBondContact O-N 3.39Å; H363-A367 PolarHBondContact O-N 2.57Å; H363-A367 VanDerWaalsContact O-N 3.15Å
364	C	98.3	Very high	95.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.7	-39.8	175.4	-65.8	0	0	0	0	111.8	P282 I286 L321 F360 I361 H362 A368	P282-C364 HydrophobicContact CB-CB 4.42Å; I286-C364 HydrophobicContact CD1-CB 4.1Å; I286-C364 VanDerWaalsContact CD1-O 3.22Å; I286-C364 WeakPolarHBondContact CD1-O 3.28Å; I286-C364 HydrophobicContact CG1-CB 3.96Å; L321-C364 HydrophobicContact CD1-CB 3.47Å; L321-C364 VanDerWaalsContact CD1-CB 3.47Å; L321-C364 HydrophobicContact CD2-CB 3.96Å; L321-C364 HydrophobicContact CG-CB 4.39Å; F360-C364 VanDerWaalsContact CE1-SG 3.53Å; F360-C364 PolarHBondContact O-N 2.89Å; F360-C364 PolarHBondContact O-SG 2.81Å; I361-C364 WeakPolarHBondContact O-CB 3.44Å; I361-C364 PolarHBondContact O-N 2.75Å; H362-C364 VanDerWaalsContact C-N 3.29Å; H362-C364 PolarHBondContact O-N 2.86Å; C364-A368 WeakPolarHBondContact O-CB 3.44Å; C364-A368 PolarHBondContact O-N 3.08Å
365	L	98.1	Very high	95.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-69.9	-42.4	178.9	-69	171	0	0	0	112.6	F96 L321 L324 L325 V328 I335 V337 I361 H362 H363 A367 A368 I369	F96-L365 HydrophobicContact CE1-CB 3.74Å; F96-L365 HydrophobicContact CZ-CB 3.69Å; F96-L365 HydrophobicContact CZ-CD1 4.01Å; L321-L365 HydrophobicContact CD1-CD2 4.33Å; L324-L365 HydrophobicContact CB-CD1 3.99Å; L324-L365 HydrophobicContact CB-CD2 3.51Å; L324-L365 HydrophobicContact CB-CG 4.29Å; L324-L365 HydrophobicContact CD1-CD1 3.96Å; L324-L365 HydrophobicContact CD2-CD1 4.41Å; L324-L365 HydrophobicContact CG-CD1 4.34Å; L325-L365 HydrophobicContact CD2-CD2 4.32Å; V328-L365 HydrophobicContact CG2-CD2 3.83Å; I335-L365 HydrophobicContact CG2-CD1 3.98Å; V337-L365 HydrophobicContact CG2-CD1 3.45Å; V337-L365 VanDerWaalsContact CG2-CD1 3.45Å; I361-L365 HydrophobicContact CG2-CD1 3.99Å; I361-L365 HydrophobicContact CG2-CG 4.44Å; I361-L365 WeakPolarHBondContact O-CG 3.48Å; I361-L365 PolarHBondContact O-N 2.99Å; H362-L365 PolarHBondContact O-N 3.28Å; H362-L365 VanDerWaalsContact O-N 3.16Å; H363-L365 VanDerWaalsContact C-N 3.32Å; H363-L365 PolarHBondContact O-N 3.39Å; L365-A367 VanDerWaalsContact C-N 3.34Å; L365-A367 PolarHBondContact O-N 2.72Å; L365-A368 PolarHBondContact O-N 3.42Å; L365-A368 VanDerWaalsContact O-N 3.16Å; L365-I369 WeakPolarHBondContact O-CB 3.23Å; L365-I369 VanDerWaalsContact O-CG1 3.24Å; L365-I369 WeakPolarHBondContact O-CG1 3.21Å; L365-I369 PolarHBondContact O-N 3.47Å
366	L	97.3	Very high	94.7	Very high	12 Å²	12	37.3 Å²	37.3	6%	0.063	17%	0.173	C	C	.	.	H	α-helix	trans	-56	-51.8	175	179.7	61.3	0	0	0	110.4	L21 F96 A97 M100 H362 A368 I369 E370	L21-L366 HydrophobicContact CD1-CD2 4.26Å; L21-L366 HydrophobicContact CD2-CD2 4.16Å; F96-L366 HydrophobicContact CD1-CB 4.14Å; F96-L366 HydrophobicContact CD1-CD1 4.26Å; F96-L366 HydrophobicContact CE1-CB 4.12Å; A97-L366 HydrophobicContact CB-CD1 3.83Å; M100-L366 HydrophobicContact CB-CD2 4.33Å; M100-L366 HydrophobicContact CG-CB 4.36Å; M100-L366 HydrophobicContact CG-CD2 4.16Å; H362-L366 PolarHBondContact O-N 3.45Å; L366-A368 VanDerWaalsContact C-N 3.29Å; L366-A368 PolarHBondContact O-N 3.03Å; L366-I369 PolarHBondContact O-N 3.42Å; L366-E370 HydrophobicContact CD1-CG 4.24Å; L366-E370 WeakPolarHBondContact O-CG 3.34Å; L366-E370 PolarHBondContact O-N 2.88Å
367	A	96.6	Very high	94.2	Very high	32 Å²	32	34.6 Å²	34.6	26%	0.264	17%	0.166	S	C	.	.	H	α-helix	trans	-59.4	-38.6	177.8	0	0	0	0	0	112.6	I286 H363 L365 E371	I286-A367 HydrophobicContact CD1-CB 4.05Å; H363-A367 PolarHBondContact O-N 2.57Å; H363-A367 VanDerWaalsContact O-N 3.15Å; L365-A367 VanDerWaalsContact C-N 3.34Å; L365-A367 PolarHBondContact O-N 2.72Å; A367-E371 WeakPolarHBondContact O-CB 3.48Å; A367-E371 PolarHBondContact O-N 2.85Å; A367-E371 VanDerWaalsContact O-N 3.07Å
368	A	96.6	Very high	93.4	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-72.4	-35	179.1	0	0	0	0	0	113.7	I286 L325 V328 C364 L365 L366 S372	I286-A368 HydrophobicContact CD1-CB 4.48Å; L325-A368 HydrophobicContact CD2-CB 3.3Å; V328-A368 HydrophobicContact CG1-CB 4.48Å; C364-A368 WeakPolarHBondContact O-CB 3.44Å; C364-A368 PolarHBondContact O-N 3.08Å; L365-A368 PolarHBondContact O-N 3.42Å; L365-A368 VanDerWaalsContact O-N 3.16Å; L366-A368 VanDerWaalsContact C-N 3.29Å; L366-A368 PolarHBondContact O-N 3.03Å; A368-S372 WeakPolarHBondContact O-CB 3.44Å; A368-S372 PolarHBondContact O-N 3.42Å; A368-S372 VanDerWaalsContact O-N 3.08Å
369	I	95.8	Very high	92.4	Very high	7 Å²	7	42.7 Å²	42.7	4%	0.036	21%	0.213	C	C	.	.	H	α-helix	trans	-67.8	-50.1	175.8	-70.3	166	0	0	0	109.2	F96 V328 L365 L366 E371 S372 E373	F96-I369 HydrophobicContact CB-CD1 3.78Å; F96-I369 HydrophobicContact CD1-CD1 3.77Å; F96-I369 HydrophobicContact CD2-CD1 4.13Å; F96-I369 HydrophobicContact CE1-CD1 4.42Å; F96-I369 HydrophobicContact CG-CD1 3.61Å; V328-I369 HydrophobicContact CG1-CG1 3.97Å; V328-I369 HydrophobicContact CG2-CD1 4.4Å; V328-I369 HydrophobicContact CG2-CG1 3.9Å; L365-I369 WeakPolarHBondContact O-CB 3.23Å; L365-I369 VanDerWaalsContact O-CG1 3.24Å; L365-I369 WeakPolarHBondContact O-CG1 3.21Å; L365-I369 PolarHBondContact O-N 3.47Å; L366-I369 PolarHBondContact O-N 3.42Å; I369-E371 PolarHBondContact O-N 2.85Å; I369-S372 WeakPolarHBondContact O-CA 3.47Å; I369-S372 WeakPolarHBondContact O-CB 3.35Å; I369-S372 PolarHBondContact O-N 3.09Å; I369-E373 WeakPolarHBondContact O-CG 3.37Å; I369-E373 PolarHBondContact O-N 3.27Å
370	E	93.9	Very high	91.3	Very high	71 Å²	71	49.8 Å²	49.8	33%	0.332	25%	0.245	S	C	.	.	H	α-helix	trans	-57.1	-46.5	177.2	-70.5	175.7	160.8	0	0	111.4	L21 L366 S372 E373 E374	L21-E370 WeakPolarHBondContact CD1-OE2 3.37Å; L366-E370 HydrophobicContact CD1-CG 4.24Å; L366-E370 WeakPolarHBondContact O-CG 3.34Å; L366-E370 PolarHBondContact O-N 2.88Å; E370-S372 VanDerWaalsContact C-N 3.28Å; E370-S372 PolarHBondContact O-N 3.47Å; E370-E373 PolarHBondContact O-N 2.91Å; E370-E374 WeakPolarHBondContact O-CG 3.35Å; E370-E374 PolarHBondContact O-N 3.06Å
371	E	92.3	Very high	90.2	Very high	51 Å²	51	58.2 Å²	58.2	24%	0.238	28%	0.278	C	S	.	.	H	α-helix	trans	-62.7	-34	175.8	-170.1	-163.9	147.2	0	0	112.5	R290 A367 I369 R375	R290-E371 IonicContact CZ-OE1 3.34Å; R290-E371 IonicContact CZ-OE2 2.82Å; R290-E371 IonicContact NH1-OE1 2.71Å; R290-E371 PolarHBondContact NH1-OE1 3.22Å; R290-E371 IonicContact NH1-OE2 3.98Å; R290-E371 PolarHBondContact NH1-OE2 3.19Å; R290-E371 IonicContact NH2-OE1 3.09Å; R290-E371 IonicContact NH2-OE2 2.7Å; R290-E371 PolarHBondContact NH2-OE2 3.22Å; A367-E371 WeakPolarHBondContact O-CB 3.48Å; A367-E371 PolarHBondContact O-N 2.85Å; A367-E371 VanDerWaalsContact O-N 3.07Å; I369-E371 PolarHBondContact O-N 2.85Å; E371-R375 WeakPolarHBondContact O-CB 3.28Å; E371-R375 WeakPolarHBondContact O-CG 3.31Å; E371-R375 PolarHBondContact O-N 2.89Å; E371-R375 VanDerWaalsContact O-N 3.1Å; E371-R375 PolarHBondContact O-NE 2.86Å; E371-R375 IonicContact OE1-CZ 3.35Å; E371-R375 IonicContact OE1-NE 3.71Å; E371-R375 IonicContact OE1-NH1 2.7Å; E371-R375 PolarHBondContact OE1-NH1 3.49Å; E371-R375 IonicContact OE1-NH2 3.47Å; E371-R375 PolarHBondContact OE1-NH2 3.23Å
372	S	89.3	Confident	88.2	Confident	22 Å²	22	61.1 Å²	61.1	15%	0.154	31%	0.308	C	S	.	.	H	α-helix	trans	-69.1	-39.4	175.4	-172.7	0	0	0	0	111.9	A368 I369 E370 R376	A368-S372 WeakPolarHBondContact O-CB 3.44Å; A368-S372 PolarHBondContact O-N 3.42Å; A368-S372 VanDerWaalsContact O-N 3.08Å; I369-S372 WeakPolarHBondContact O-CA 3.47Å; I369-S372 WeakPolarHBondContact O-CB 3.35Å; I369-S372 PolarHBondContact O-N 3.09Å; E370-S372 VanDerWaalsContact C-N 3.28Å; E370-S372 PolarHBondContact O-N 3.47Å; S372-R376 VanDerWaalsContact O-CG 3.29Å; S372-R376 WeakPolarHBondContact O-CG 3.24Å; S372-R376 PolarHBondContact O-N 3.42Å
373	E	87.3	Confident	86.4	Confident	91 Å²	91	66.2 Å²	66.2	43%	0.425	34%	0.335	S	S	.	.	H	α-helix	trans	-68.1	-44.7	176.8	-69.9	-179.8	169.3	0	0	111.5	I369 E370 R375 R376 A377	I369-E373 WeakPolarHBondContact O-CG 3.37Å; I369-E373 PolarHBondContact O-N 3.27Å; E370-E373 PolarHBondContact O-N 2.91Å; E373-R375 VanDerWaalsContact C-N 3.34Å; E373-R375 PolarHBondContact O-N 2.86Å; E373-R376 PolarHBondContact O-N 2.9Å; E373-A377 WeakPolarHBondContact O-CB 3.41Å; E373-A377 PolarHBondContact O-N 3.19Å
374	E	89.1	Confident	84.1	Confident	84 Å²	84	70.2 Å²	70.2	39%	0.393	36%	0.361	S	S	.	.	H	α-helix	trans	-58.5	-44.5	174.9	-73	-175.9	154.6	0	0	111.7	R18 E370 A377 M378	R18-E374 IonicContact CZ-OE1 3.26Å; R18-E374 IonicContact NH1-OE1 3.82Å; R18-E374 PolarHBondContact NH1-OE1 3.47Å; R18-E374 IonicContact NH2-OE1 3.78Å; R18-E374 PolarHBondContact NH2-OE1 3.4Å; E370-E374 WeakPolarHBondContact O-CG 3.35Å; E370-E374 PolarHBondContact O-N 3.06Å; E374-A377 PolarHBondContact O-N 2.75Å; E374-M378 WeakPolarHBondContact O-CG 3.43Å; E374-M378 PolarHBondContact O-N 3.33Å
375	R	87.2	Confident	81.9	Confident	101 Å²	101	77.6 Å²	77.6	38%	0.381	40%	0.397	S	S	.	.	H	α-helix	trans	-62.4	-42.5	175.1	-78.7	-174.5	-67	-140.6	-8.9	112.7	E371 E373 M378 V379	E371-R375 WeakPolarHBondContact O-CB 3.28Å; E371-R375 WeakPolarHBondContact O-CG 3.31Å; E371-R375 PolarHBondContact O-N 2.89Å; E371-R375 VanDerWaalsContact O-N 3.1Å; E371-R375 PolarHBondContact O-NE 2.86Å; E371-R375 IonicContact OE1-CZ 3.35Å; E371-R375 IonicContact OE1-NE 3.71Å; E371-R375 IonicContact OE1-NH1 2.7Å; E371-R375 PolarHBondContact OE1-NH1 3.49Å; E371-R375 IonicContact OE1-NH2 3.47Å; E371-R375 PolarHBondContact OE1-NH2 3.23Å; E373-R375 VanDerWaalsContact C-N 3.34Å; E373-R375 PolarHBondContact O-N 2.86Å; R375-M378 HydrophobicContact CG-CE 4.24Å; R375-M378 PolarHBondContact O-N 3.05Å; R375-V379 WeakPolarHBondContact O-CG2 3.31Å; R375-V379 PolarHBondContact O-N 3.27Å
376	R	84.6	Confident	79.1	Confident	145 Å²	145	85.5 Å²	85.5	55%	0.547	44%	0.435	S	S	.	.	H	α-helix	trans	-63	-43	176.8	-75.5	173.4	-178	-178.7	-0.1	111.3	S372 E373 V379 Q380	S372-R376 VanDerWaalsContact O-CG 3.29Å; S372-R376 WeakPolarHBondContact O-CG 3.24Å; S372-R376 PolarHBondContact O-N 3.42Å; E373-R376 PolarHBondContact O-N 2.9Å; R376-V379 PolarHBondContact O-N 3.17Å; R376-Q380 WeakPolarHBondContact O-CB 3.49Å; R376-Q380 PolarHBondContact O-N 3.45Å
377	A	84.4	Confident	76.4	Confident	37 Å²	37	90.6 Å²	90.6	31%	0.306	47%	0.468	S	S	.	.	H	α-helix	trans	-61.1	-47.3	175.4	0	0	0	0	0	111.3	E373 E374 V379 Q380 Y381	E373-A377 WeakPolarHBondContact O-CB 3.41Å; E373-A377 PolarHBondContact O-N 3.19Å; E374-A377 PolarHBondContact O-N 2.75Å; A377-V379 PolarHBondContact O-N 3.39Å; A377-Q380 WeakPolarHBondContact O-CB 3.22Å; A377-Q380 PolarHBondContact O-N 2.77Å; A377-Q380 VanDerWaalsContact O-N 3.14Å; A377-Y381 HydrophobicContact CB-CE2 4.44Å; A377-Y381 WeakPolarHBondContact O-CD2 3.47Å; A377-Y381 PolarHBondContact O-N 3.17Å
378	M	81.3	Confident	73.6	Confident	77 Å²	77	96.2 Å²	96.2	38%	0.379	50%	0.499	S	S	.	.	H	α-helix	trans	-59.9	-42.3	178.1	-73.4	-168.6	-67.7	0	0	113	E374 R375 Q380 Y381 G382 L383	E374-M378 WeakPolarHBondContact O-CG 3.43Å; E374-M378 PolarHBondContact O-N 3.33Å; R375-M378 HydrophobicContact CG-CE 4.24Å; R375-M378 PolarHBondContact O-N 3.05Å; M378-Q380 VanDerWaalsContact C-N 3.34Å; M378-Y381 PolarHBondContact O-N 3.19Å; M378-G382 PolarHBondContact O-N 3.31Å; M378-L383 PolarHBondContact O-N 2.83Å
379	V	78.4	Confident	70.6	Confident	110 Å²	110	98.9 Å²	98.9	67%	0.667	53%	0.526	S	S	*	.	H	α-helix	trans	-63.4	-41	175.3	172.7	0	0	0	0	111.1	R375 R376 A377 Y381 G382	R375-V379 WeakPolarHBondContact O-CG2 3.31Å; R375-V379 PolarHBondContact O-N 3.27Å; R376-V379 PolarHBondContact O-N 3.17Å; A377-V379 PolarHBondContact O-N 3.39Å; V379-Y381 VanDerWaalsContact C-N 3.27Å; V379-Y381 PolarHBondContact O-N 3.35Å; V379-G382 PolarHBondContact O-N 2.96Å; V379-G382 VanDerWaalsContact O-N 3.09Å
380	Q	74.8	Confident	67.8	Low	160 Å²	160	108 Å²	108	75%	0.748	57%	0.566	S	S	*	*	H	α-helix	trans	-63.1	-32.5	176.8	-175.1	176.8	-8.7	0	0	112.7	R376 A377 M378 G382	R376-Q380 WeakPolarHBondContact O-CB 3.49Å; R376-Q380 PolarHBondContact O-N 3.45Å; A377-Q380 WeakPolarHBondContact O-CB 3.22Å; A377-Q380 PolarHBondContact O-N 2.77Å; A377-Q380 VanDerWaalsContact O-N 3.14Å; M378-Q380 VanDerWaalsContact C-N 3.34Å; Q380-G382 VanDerWaalsContact C-N 3.29Å; Q380-G382 PolarHBondContact O-N 3.25Å
381	Y	74	Confident	65	Low	181 Å²	181	111.8 Å²	111.8	71%	0.71	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	9.6	175.4	-67.4	-66.8	0	0	0	114	A377 M378 V379 L383	A377-Y381 HydrophobicContact CB-CE2 4.44Å; A377-Y381 WeakPolarHBondContact O-CD2 3.47Å; A377-Y381 PolarHBondContact O-N 3.17Å; M378-Y381 PolarHBondContact O-N 3.19Å; V379-Y381 VanDerWaalsContact C-N 3.27Å; V379-Y381 PolarHBondContact O-N 3.35Å; Y381-L383 PolarHBondContact O-N 3.21Å
382	G	57.4	Low	62.3	Low	60 Å²	60	117.2 Å²	117.2	62%	0.619	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	71.2	12.1	177	0	0	0	0	0	114.7	M378 V379 Q380 V384	M378-G382 PolarHBondContact O-N 3.31Å; V379-G382 PolarHBondContact O-N 2.96Å; V379-G382 VanDerWaalsContact O-N 3.09Å; Q380-G382 VanDerWaalsContact C-N 3.29Å; Q380-G382 PolarHBondContact O-N 3.25Å; G382-V384 PolarHBondContact O-N 3.26Å
383	L	59.3	Low	59.7	Low	111 Å²	111	122.6 Å²	122.6	58%	0.581	65%	0.645	S	S	*	*			trans	-85.6	87.4	175.2	-72.7	164.5	0	0	0	109	M378 Y381 M385	M378-L383 PolarHBondContact O-N 2.83Å; Y381-L383 PolarHBondContact O-N 3.21Å; L383-M385 PolarHBondContact O-N 3.17Å
384	V	50.4	Low	57.4	Low	121 Å²	121	125.7 Å²	125.7	73%	0.733	66%	0.659	S	S	*	*			trans	-79.2	103.1	170.8	-176.5	0	0	0	0	108.6	G382 Q386	G382-V384 PolarHBondContact O-N 3.26Å; V384-Q386 PolarHBondContact O-N 3.34Å
385	M	51.6	Low	55	Low	155 Å²	155	130.1 Å²	130.1	76%	0.764	68%	0.68	S	S	*	*			trans	-70	108.5	160.6	-75.4	-79	159.7	0	0	107.2	L383	L383-M385 PolarHBondContact O-N 3.17Å
386	Q	39.4	Very low	52.7	Low	167 Å²	167	132.7 Å²	132.7	78%	0.78	70%	0.702	S	S	*	*			trans	-58	136.5	169.1	-72	-169.3	1.6	0	0	108.3	V384 V388	V384-Q386 PolarHBondContact O-N 3.34Å; Q386-V388 PolarHBondContact O-N 3.11Å; Q386-V388 VanDerWaalsContact O-N 3.16Å
387	P	41	Very low	50.4	Low	119 Å²	119	131.2 Å²	131.2	77%	0.773	71%	0.711	S	S	*	*			trans	-59.2	125.7	170.7	-6.4	19.5	0	0	0	106.6	G389	P387-G389 PolarHBondContact O-N 3.36Å
388	V	37	Very low	48.3	Very low	150 Å²	150	133.2 Å²	133.2	91%	0.909	73%	0.727	S	S	*	*			trans	-60	98.7	170.3	178.1	0	0	0	0	106.6	Q386	Q386-V388 PolarHBondContact O-N 3.11Å; Q386-V388 VanDerWaalsContact O-N 3.16Å
389	G	34.3	Very low	46.5	Very low	56 Å²	56	139.7 Å²	139.7	58%	0.577	75%	0.754	S	S	*	*			trans	-65	142.2	175.9	0	0	0	0	0	108.8	P387 N391	P387-G389 PolarHBondContact O-N 3.36Å; G389-N391 PolarHBondContact O-N 2.92Å
390	K	36.3	Very low	44.8	Very low	199 Å²	199	141.8 Å²	141.8	87%	0.865	76%	0.761	S	S	*	*	S	Bend	trans	-54.2	133	168.8	-67	172.6	174.7	178	0	108.9
391	N	35.3	Very low	43.5	Very low	151 Å²	151	141 Å²	141	81%	0.807	76%	0.762	S	S	*	*			trans	97.6	75.5	171.1	-54	-14.1	0	0	0	116.4	G389	G389-N391 PolarHBondContact O-N 2.92Å
392	E	35.5	Very low	42.2	Very low	164 Å²	164	138.9 Å²	138.9	77%	0.766	76%	0.763	S	S	*	*			trans	-133.7	97.1	141.3	-75.5	-170.9	157.3	0	0	108.4	H394	E392-H394 VanDerWaalsContact C-N 3.34Å; E392-H394 PolarHBondContact O-N 3Å; E392-H394 IonicContact OE2-NE2 2.73Å
393	V	35.2	Very low	41.8	Very low	135 Å²	135	142.6 Å²	142.6	82%	0.818	77%	0.769	S	S	*	*			trans	-78.7	92	162.4	179.1	0	0	0	0	105.5	Q395	V393-Q395 PolarHBondContact O-N 3.18Å
394	H	39.5	Very low	41.3	Very low	156 Å²	156	143.4 Å²	143.4	72%	0.722	77%	0.774	S	S	*	*			trans	-77.2	103.9	165.4	-86.8	-59.9	0	0	0	108.6	E392 N396	E392-H394 VanDerWaalsContact C-N 3.34Å; E392-H394 PolarHBondContact O-N 3Å; E392-H394 IonicContact OE2-NE2 2.73Å; H394-N396 PolarHBondContact O-N 2.88Å
395	Q	37.3	Very low	41.2	Very low	177 Å²	177	144.5 Å²	144.5	83%	0.827	78%	0.775	S	S	*	*			trans	-66.9	117.7	157.8	-74.1	178.1	-16.4	0	0	107.4	V393	V393-Q395 PolarHBondContact O-N 3.18Å
396	N	38.9	Very low	41	Very low	156 Å²	156	143.5 Å²	143.5	83%	0.834	77%	0.773	S	S	*	*			trans	-104.8	113.6	171.5	-149	19.7	0	0	0	107.7	H394	H394-N396 PolarHBondContact O-N 2.88Å
397	P	36.9	Very low	41.3	Very low	114 Å²	114	144.2 Å²	144.2	74%	0.74	78%	0.777	S	S	*	*			trans	-93.8	109.8	172	32.7	-22.9	0	0	0	108.4
398	A	40.5	Very low	41.4	Very low	79 Å²	79	141.7 Å²	141.7	65%	0.653	77%	0.772	S	S	*	*			trans	171.7	95.6	157.2	0	0	0	0	0	109.9
399	F	43.2	Very low	41.6	Very low	213 Å²	213	142.7 Å²	142.7	93%	0.934	77%	0.771	S	S	*	*			trans	-150.1	75.6	144.7	-83.1	-72.8	0	0	0	105.2
400	D	43.6	Very low	42.1	Very low	154 Å²	154	144 Å²	144	82%	0.824	78%	0.775	S	S	*	*			trans	-86.1	122.6	148.6	-75.8	-36.6	0	0	0	104.8
401	D	46.9	Very low	42.3	Very low	143 Å²	143	142.9 Å²	142.9	77%	0.765	77%	0.773	S	S	*	*			trans	-168.1	95.8	152.3	-87.1	-24.2	0	0	0	106.1
402	D	46.1	Very low	42.7	Very low	137 Å²	137	140.9 Å²	140.9	73%	0.733	77%	0.772	S	S	*	*				58.3	125.9	129.2	-58.9	-20.3	0	0	0	121.9
403	D	48.9	Very low	43.1	Very low	138 Å²	138	136.7 Å²	136.7	74%	0.738	77%	0.772	S	S	*	*				115.4	122.4	129.1	-78	-20	0	0	0	119.8
404	D	49.3	Very low	43.7	Very low	128 Å²	128	140.8 Å²	140.8	68%	0.684	80%	0.797	S	S	*	*			trans	85.3	92.4	143.5	-62.1	-30.3	0	0	0	120.9
405	N	47.8	Very low	44	Very low	144 Å²	144	140.1 Å²	140.1	77%	0.77	80%	0.801	S	S	*	*				65.3	142.7	111.1	-84.6	-18.2	0	0	0	122.4
406	D	48.5	Very low	44.3	Very low	133 Å²	133	138.1 Å²	138.1	71%	0.711	80%	0.799	S	S	*	*			trans	87.1	99.5	156.8	-72.2	-14.6	0	0	0	120.8
407	E	45.1	Very low	44.6	Very low	183 Å²	183	137.1 Å²	137.1	86%	0.855	80%	0.797	S	S	*	*				40.8	116.4	120.1	-57.3	-165.3	166	0	0	116.8
408	G	42.8	Very low	45.1	Very low	66 Å²	66	138.5 Å²	138.5	68%	0.68	80%	0.801	S	S	*	*				110.9	146.7	60.7	0	0	0	0	0	109.6
409	I	42.6	Very low	45.3	Very low	171 Å²	171	142.2 Å²	142.2	88%	0.877	81%	0.81	S	S	*	*			trans	89	98.2	172.4	-51.2	164.4	0	0	0	113.1
410	A	44	Very low	45.5	Very low	82 Å²	82	137.5 Å²	137.5	68%	0.678	80%	0.802	S	S	*	*				52.6	128.5	80.7	0	0	0	0	0	111.4
411	E	40.7	Very low	45.6	Very low	176 Å²	176	136.3 Å²	136.3	82%	0.822	80%	0.8	S	S	*	*				177.8	151.4	50	-128.8	170.4	-161.7	0	0	107.7
412	S	42.9	Very low	45.5	Very low	110 Å²	110	135.8 Å²	135.8	77%	0.769	80%	0.803	S	S	*	*			trans	43.2	126.7	146.7	65.7	0	0	0	0	123.9
413	G	44.7	Very low	45.5	Very low	75 Å²	75	135.7 Å²	135.7	77%	0.773	81%	0.809	S	S	*	*				101.3	100.8	119.7	0	0	0	0	0	118.1
414	V	48.7	Very low	45.2	Very low	222 Å²	222	135.5 Å²	135.5	100%	1.345	82%	0.815	S	S	*	*				-158.9	0	100.5	168.9	0	0	0	0	107.6

Retrieved 414 of 414 residues in 1583.8 ms (Link to these results)

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