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Beta-hexosaminidase

Responsible for the degradation of GM2 gangliosides, and a variety of other molecules containing terminal N-acetyl hexosamines. Degrades chitotriose.

AlphaFold DB , UniProt , Accession A0A077Z072, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 548 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.5	Very low	49.8	Very low	247 Å²	247	141.7 Å²	141.7	100%	1.217	76%	0.759	S	S	*	*				0	78.8	0	-73.2	-179.7	-79.2	0	0	108.5
2	A	46.1	Very low	49.7	Very low	96 Å²	96	138.3 Å²	138.3	79%	0.793	74%	0.74	S	S	*	*			trans	175.2	71.8	171.4	0	0	0	0	0	107.3
3	C	47.9	Very low	49.7	Very low	126 Å²	126	135 Å²	135	85%	0.851	72%	0.721	S	S	*	*			trans	-153.5	9.6	170.8	-131.1	0	0	0	0	114.6
4	E	51.3	Low	49.8	Very low	180 Å²	180	130.2 Å²	130.2	84%	0.841	70%	0.703	S	S	*	*	S	Bend	trans	-106	1.6	-177.6	-70.5	-171.4	158.4	0	0	114.1
5	S	52.7	Low	49.9	Very low	93 Å²	93	126.1 Å²	126.1	65%	0.65	68%	0.684	S	S	*	*	S	Bend	trans	-95.5	-7.6	-169.9	-37.3	0	0	0	0	115.6
6	L	50.4	Low	49.8	Very low	144 Å²	144	127.7 Å²	127.7	75%	0.754	68%	0.683	S	S	*	*	S	Bend	trans	-95.3	-17.5	-174.1	-98.5	109.2	0	0	0	115.4
7	W	47.6	Very low	49.6	Very low	210 Å²	210	125.4 Å²	125.4	80%	0.795	67%	0.671	S	S	*	*	H	α-helix	trans	-77.4	-27.5	-179.2	-85.4	88.4	0	0	0	113.7	L9 F10	W7-L9 VanDerWaalsContact C-N 3.33Å; W7-L9 PolarHBondContact O-N 3.45Å; W7-F10 PolarHBondContact O-N 3.28Å
8	V	53	Low	49.5	Very low	99 Å²	99	122 Å²	122	60%	0.6	66%	0.663	S	S	*	*	H	α-helix	trans	-72.4	-27.4	-179	-177.8	0	0	0	0	112.1	L12	V8-L12 HydrophobicContact CG1-CD1 4.36Å; V8-L12 PolarHBondContact O-N 3.43Å
9	L	49.6	Very low	49.3	Very low	116 Å²	116	122.2 Å²	122.2	61%	0.607	66%	0.663	S	S	*	*	H	α-helix	trans	-75.3	-29.9	177.1	-102.5	137.9	0	0	0	113.2	W7 L13	W7-L9 VanDerWaalsContact C-N 3.33Å; W7-L9 PolarHBondContact O-N 3.45Å; L9-L13 PolarHBondContact O-N 3.22Å
10	F	50	Low	49	Very low	159 Å²	159	118.5 Å²	118.5	70%	0.697	65%	0.649	S	S	*	*	H	α-helix	trans	-75.7	-30	178.3	-114.3	-89.2	0	0	0	113.1	W7 S14	W7-F10 PolarHBondContact O-N 3.28Å; F10-S14 PolarHBondContact O-N 3.25Å; F10-S14 PolarHBondContact O-OG 3.46Å
11	V	54.2	Low	48.8	Very low	89 Å²	89	120.1 Å²	120.1	54%	0.539	65%	0.651	S	S	.	*	H	α-helix	trans	-76.9	-27.7	177	179.3	0	0	0	0	112.1	S14 T15	V11-S14 PolarHBondContact O-OG 3.5Å; V11-S14 VanDerWaalsContact O-OG 3.06Å; V11-T15 PolarHBondContact O-OG1 3.31Å
12	L	49.3	Very low	48.8	Very low	101 Å²	101	112.1 Å²	112.1	53%	0.529	61%	0.61	S	S	.	*	H	α-helix	trans	-78.3	-28.3	173.2	-77.1	162.8	0	0	0	112.9	V8 T15 F16	V8-L12 HydrophobicContact CG1-CD1 4.36Å; V8-L12 PolarHBondContact O-N 3.43Å; L12-T15 PolarHBondContact O-OG1 3.23Å; L12-T15 VanDerWaalsContact O-OG1 3.08Å; L12-F16 PolarHBondContact O-N 3.06Å
13	L	49	Very low	48.7	Very low	95 Å²	95	113.1 Å²	113.1	50%	0.497	60%	0.602	S	S	.	*	H	α-helix	trans	-76.3	-29.8	175.2	-91.6	152.7	0	0	0	113	L9 N17	L9-L13 PolarHBondContact O-N 3.22Å; L13-N17 WeakPolarHBondContact O-CB 3.44Å; L13-N17 PolarHBondContact O-N 3.22Å; L13-N17 VanDerWaalsContact O-N 3.07Å; L13-N17 PolarHBondContact O-ND2 3.15Å
14	S	51.7	Low	48.6	Very low	68 Å²	68	115.5 Å²	115.5	48%	0.476	59%	0.593	S	S	.	*	H	α-helix	trans	-73.2	-35.5	175.9	60.6	0	0	0	0	112.6	F10 V11 N17 A18	F10-S14 PolarHBondContact O-N 3.25Å; F10-S14 PolarHBondContact O-OG 3.46Å; V11-S14 PolarHBondContact O-OG 3.5Å; V11-S14 VanDerWaalsContact O-OG 3.06Å; S14-N17 PolarHBondContact O-N 2.94Å; S14-A18 PolarHBondContact O-N 2.83Å
15	T	50.6	Low	48.6	Very low	68 Å²	68	109.4 Å²	109.4	42%	0.417	57%	0.571	S	S	.	*	H	α-helix	trans	-72.5	-38.2	175.1	53.3	0	0	0	0	112.2	V11 L12 A18 L19	V11-T15 PolarHBondContact O-OG1 3.31Å; L12-T15 PolarHBondContact O-OG1 3.23Å; L12-T15 VanDerWaalsContact O-OG1 3.08Å; T15-A18 PolarHBondContact O-N 3.08Å; T15-L19 PolarHBondContact O-N 3.49Å; T15-L19 VanDerWaalsContact O-N 3.15Å
16	F	48.4	Very low	48.7	Very low	152 Å²	152	110 Å²	110	67%	0.667	57%	0.566	S	S	*	*	H	α-helix	trans	-65	-36.7	172.2	-102.4	-86.4	0	0	0	112.9	L12 A20	L12-F16 PolarHBondContact O-N 3.06Å; F16-A20 WeakPolarHBondContact O-CB 3.29Å; F16-A20 PolarHBondContact O-N 3.37Å
17	N	47.4	Very low	48.9	Very low	89 Å²	89	111.2 Å²	111.2	48%	0.476	56%	0.561	S	S	.	*	H	α-helix	trans	-68.5	-40.3	174.6	-83.2	-36.4	0	0	0	112.1	L13 S14 L19 A20 F21	L13-N17 WeakPolarHBondContact O-CB 3.44Å; L13-N17 PolarHBondContact O-N 3.22Å; L13-N17 VanDerWaalsContact O-N 3.07Å; L13-N17 PolarHBondContact O-ND2 3.15Å; S14-N17 PolarHBondContact O-N 2.94Å; N17-L19 PolarHBondContact O-N 3.07Å; N17-A20 PolarHBondContact O-N 3.05Å; N17-F21 WeakPolarHBondContact O-CB 3.22Å; N17-F21 VanDerWaalsContact O-CD2 3.29Å; N17-F21 WeakPolarHBondContact O-CD2 3.44Å; N17-F21 PolarHBondContact O-N 3.45Å
18	A	47.2	Very low	49.7	Very low	64 Å²	64	109 Å²	109	53%	0.529	56%	0.557	S	S	.	*	H	α-helix	trans	-60.7	-43.8	176.7	0	0	0	0	0	112.2	S14 T15 F21 H22	S14-A18 PolarHBondContact O-N 2.83Å; T15-A18 PolarHBondContact O-N 3.08Å; A18-F21 PolarHBondContact O-N 2.9Å; A18-H22 PolarHBondContact O-N 3.27Å; A18-H22 VanDerWaalsContact O-N 3.14Å
19	L	45.3	Very low	50.6	Low	125 Å²	125	105.7 Å²	105.7	65%	0.654	54%	0.538	S	S	*	.	H	α-helix	trans	-67.8	-35.5	174.5	-86.9	143.2	0	0	0	113	T15 N17 H22 N23	T15-L19 PolarHBondContact O-N 3.49Å; T15-L19 VanDerWaalsContact O-N 3.15Å; N17-L19 PolarHBondContact O-N 3.07Å; L19-H22 PolarHBondContact O-N 3.11Å; L19-N23 PolarHBondContact O-N 3.4Å
20	A	43.7	Very low	52.1	Low	48 Å²	48	103.4 Å²	103.4	40%	0.397	52%	0.524	S	S	.	.	H	α-helix	trans	-73.4	-30.6	176.8	0	0	0	0	0	113.4	F16 N17 R24	F16-A20 WeakPolarHBondContact O-CB 3.29Å; F16-A20 PolarHBondContact O-N 3.37Å; N17-A20 PolarHBondContact O-N 3.05Å; A20-R24 WeakPolarHBondContact O-CG 3.5Å
21	F	46	Very low	53.8	Low	154 Å²	154	100 Å²	100	68%	0.675	52%	0.518	S	S	*	.	H	α-helix	trans	-68.5	-41.1	171.5	-95.9	-82.3	0	0	0	111.2	N17 A18 N23 R24 S25	N17-F21 WeakPolarHBondContact O-CB 3.22Å; N17-F21 VanDerWaalsContact O-CD2 3.29Å; N17-F21 WeakPolarHBondContact O-CD2 3.44Å; N17-F21 PolarHBondContact O-N 3.45Å; A18-F21 PolarHBondContact O-N 2.9Å; F21-N23 VanDerWaalsContact C-N 3.32Å; F21-N23 PolarHBondContact O-N 3.27Å; F21-R24 PolarHBondContact O-N 3.48Å; F21-R24 VanDerWaalsContact O-N 3.11Å; F21-S25 PolarHBondContact O-N 2.96Å
22	H	43.6	Very low	55.5	Low	79 Å²	79	97.8 Å²	97.8	37%	0.366	50%	0.5	S	S	.	.	H	α-helix	trans	-61.5	-40.4	179.1	-134.5	34.1	0	0	0	112.7	A18 L19 R24 S25 H166	A18-H22 PolarHBondContact O-N 3.27Å; A18-H22 VanDerWaalsContact O-N 3.14Å; L19-H22 PolarHBondContact O-N 3.11Å; H22-R24 PolarHBondContact O-N 3.14Å; H22-S25 PolarHBondContact O-OG 3.32Å; H22-H166 PolarHBondContact CE1-O 3.26Å; H22-H166 PolarHBondContact NE2-O 3.02Å
23	N	43.9	Very low	57.6	Low	117 Å²	117	94.5 Å²	94.5	63%	0.626	48%	0.484	S	S	*	.	H	α-helix	trans	-82.1	3.1	-179.9	-137.5	-9.4	0	0	0	113.5	L19 F21 R27	L19-N23 PolarHBondContact O-N 3.4Å; F21-N23 VanDerWaalsContact C-N 3.32Å; F21-N23 PolarHBondContact O-N 3.27Å; N23-R27 PolarHBondContact O-NE 3.46Å; N23-R27 PolarHBondContact O-NH2 3.2Å
24	R	45.7	Very low	59.6	Low	175 Å²	175	94.2 Å²	94.2	66%	0.66	48%	0.478	S	S	*	.	H	α-helix	trans	-105.8	-28.8	177.7	-89.6	-173.5	177.7	-159.2	0.7	113.2	A20 F21 H22 R27	A20-R24 WeakPolarHBondContact O-CG 3.5Å; F21-R24 PolarHBondContact O-N 3.48Å; F21-R24 VanDerWaalsContact O-N 3.11Å; H22-R24 PolarHBondContact O-N 3.14Å; R24-R27 PolarHBondContact O-N 3.47Å
25	S	51	Low	61.6	Low	53 Å²	53	91 Å²	91	37%	0.371	46%	0.456	S	S	.	.	H	α-helix	trans	-64.4	-42.3	-177.3	50.7	0	0	0	0	112.4	F21 H22 R27	F21-S25 PolarHBondContact O-N 2.96Å; H22-S25 PolarHBondContact O-OG 3.32Å; S25-R27 PolarHBondContact O-N 3.28Å
26	D	55.2	Low	63.8	Low	105 Å²	105	89.5 Å²	89.5	56%	0.561	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-12.6	-174.6	-66.7	3	0	0	0	113.3	F28	D26-F28 PolarHBondContact O-N 3.29Å
27	R	55.5	Low	66.2	Low	169 Å²	169	82.2 Å²	82.2	64%	0.638	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-13.4	-176.7	-97.9	-172.8	-92.7	-159.5	-8.9	114.2	N23 R24 S25	N23-R27 PolarHBondContact O-NE 3.46Å; N23-R27 PolarHBondContact O-NH2 3.2Å; R24-R27 PolarHBondContact O-N 3.47Å; S25-R27 PolarHBondContact O-N 3.28Å
28	F	62.8	Low	68.6	Low	163 Å²	163	78 Å²	78	72%	0.715	39%	0.39	S	S	*	.	S	Bend	trans	-129.2	0.8	-174.4	-61.4	-70.6	0	0	0	114.5	D26	D26-F28 PolarHBondContact O-N 3.29Å
29	S	73.2	Confident	71.1	Confident	30 Å²	30	75 Å²	75	21%	0.21	37%	0.365	C	S	.	.	S	Bend	trans	-98.3	139.8	176.4	57	0	0	0	0	111.2
30	F	80.9	Confident	73.6	Confident	69 Å²	69	70.2 Å²	70.2	30%	0.303	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-61.6	134.8	168.5	-80.8	-97.2	0	0	0	110.4	E520 N537	F30-E520 HydrophobicContact CB-CG 4.07Å; F30-N537 HydrophobicContact CB-CB 4.46Å; F30-N537 HydrophobicContact CD1-CB 3.62Å; F30-N537 HydrophobicContact CD2-CB 3.83Å; F30-N537 HydrophobicContact CE1-CB 3.68Å; F30-N537 VanDerWaalsContact CE2-C 3.45Å; F30-N537 HydrophobicContact CE2-CB 3.9Å; F30-N537 WeakPolarHBondContact CE2-O 3.49Å; F30-N537 HydrophobicContact CG-CB 3.69Å; F30-N537 HydrophobicContact CZ-CB 3.81Å; F30-N537 VanDerWaalsContact CZ-O 3.28Å; F30-N537 WeakPolarHBondContact CZ-O 3.28Å
31	P	86	Confident	76.2	Confident	87 Å²	87	68.1 Å²	68.1	57%	0.565	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-65.3	142.2	179.2	27.7	-33.5	0	0	0	110	S517	P31-S517 VanDerWaalsContact O-CA 3.29Å; P31-S517 WeakPolarHBondContact O-CA 3.36Å; P31-S517 WeakPolarHBondContact O-CB 3.34Å; P31-S517 PolarHBondContact O-OG 3.05Å
32	R	89.2	Confident	78.7	Confident	43 Å²	43	62.9 Å²	62.9	16%	0.162	30%	0.3	C	S	.	.			trans	-106.2	142	173.5	-74.9	-176.7	-71.9	151.2	-2.5	110.1	E520 C524 Y541 E544	R32-E520 HydrophobicContact CG-CB 3.52Å; R32-C524 PolarHBondContact NH1-SG 2.86Å; R32-C524 VanDerWaalsContact NH1-SG 3.37Å; R32-Y541 PolarHBondContact NH2-O 3.31Å; R32-E544 IonicContact CZ-OE2 3.9Å; R32-E544 IonicContact NH1-OE1 3.49Å; R32-E544 PolarHBondContact NH1-OE1 2.87Å; R32-E544 IonicContact NH1-OE2 2.81Å; R32-E544 PolarHBondContact NH1-OE2 3.23Å
33	T	93.4	Very high	81.3	Confident	31 Å²	31	64.6 Å²	64.6	19%	0.19	31%	0.308	C	S	.	.			trans	-68.3	170	162.3	52.2	0	0	0	0	110.7	M36 S517 R518 E521	T33-M36 VanDerWaalsContact CB-CG 3.42Å; T33-M36 HydrophobicContact CG2-CB 4.36Å; T33-M36 HydrophobicContact CG2-CG 3.85Å; T33-M36 WeakPolarHBondContact OG1-CB 3.28Å; T33-S517 PolarHBondContact N-O 3.47Å; T33-S517 VanDerWaalsContact N-O 3.09Å; T33-S517 PolarHBondContact OG1-O 3.28Å; T33-R518 HydrophobicContact CG2-CG 3.7Å; T33-R518 WeakPolarHBondContact OG1-CA 3.37Å; T33-E521 VanDerWaalsContact CB-OE2 3.23Å; T33-E521 WeakPolarHBondContact CB-OE2 3.05Å; T33-E521 VanDerWaalsContact O-OE2 3.09Å; T33-E521 PolarHBondContact OG1-OE2 3.46Å
34	K	91.2	Very high	83.9	Confident	89 Å²	89	61 Å²	61	39%	0.387	29%	0.288	S	S	.	.	S	Bend	trans	-130.7	115	177.4	-65.9	-175.2	178.6	-173.8	0	108.9	I161 R177 E521	K34-I161 HydrophobicContact CB-CG2 4.28Å; K34-R177 VanDerWaalsContact O-CZ 3.22Å; K34-R177 PolarHBondContact O-NE 2.93Å; K34-R177 PolarHBondContact O-NH2 3.44Å; K34-E521 PolarHBondContact N-OE2 2.98Å
35	G	94	Very high	86.4	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.286	C	S	.	.	S	Bend	trans	69.4	33.9	180	0	0	0	0	0	112.8	Q158 E521	G35-Q158 CarbonylContact C-O 3.58Å; G35-Q158 VanDerWaalsContact C-O 3.31Å; G35-Q158 VanDerWaalsContact CA-O 3.28Å; G35-Q158 WeakPolarHBondContact CA-O 3.1Å; G35-E521 WeakPolarHBondContact CA-OE1 3.43Å; G35-E521 PolarHBondContact N-OE1 3.43Å; G35-E521 PolarHBondContact N-OE2 2.97Å
36	M	96.6	Very high	88.6	Confident	37 Å²	37	59.6 Å²	59.6	18%	0.182	29%	0.285	C	S	.	.			trans	-101.8	137.8	176.7	-69.5	-64.6	-66	0	0	111.4	T33 M40 L46 R518 E521 R525	T33-M36 VanDerWaalsContact CB-CG 3.42Å; T33-M36 HydrophobicContact CG2-CB 4.36Å; T33-M36 HydrophobicContact CG2-CG 3.85Å; T33-M36 WeakPolarHBondContact OG1-CB 3.28Å; M36-M40 HydrophobicContact CE-CE 3.85Å; M36-M40 HydrophobicContact CE-SD 4.47Å; M36-L46 HydrophobicContact CE-CD1 4.23Å; M36-L46 HydrophobicContact SD-CD1 3.3Å; M36-L46 WeakPolarHBondContact SD-CD1 3.16Å; M36-R518 HydrophobicContact CB-CG 4.01Å; M36-E521 PolarHBondContact N-OE1 3.44Å; M36-E521 PolarHBondContact N-OE2 3.4Å; M36-E521 VanDerWaalsContact N-OE2 3.1Å; M36-R525 PolarHBondContact O-NH2 2.91Å
37	P	97.9	Very high	90.5	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.272	C	S	.	.			trans	-75.2	152.5	178.7	29.8	-34.9	0	0	0	113.4	P41 I44 T155 Q158	P37-P41 HydrophobicContact CB-CG 4.27Å; P37-P41 HydrophobicContact CG-CG 3.82Å; P37-I44 HydrophobicContact CG-CD1 3.7Å; P37-T155 HydrophobicContact CB-CG2 4.23Å; P37-Q158 HydrophobicContact CB-CB 4.49Å; P37-Q158 VanDerWaalsContact CB-OE1 3.32Å
38	W	98.6	Very high	92.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-138.3	125.5	166.9	-170.6	-75.2	0	0	0	109.5	Q158 Y454 S497 V498 E501 A515 R518 L519 H522	W38-Q158 PolarHBondContact O-NE2 2.79Å; W38-Q158 PolarHBondContact O-OE1 3.48Å; W38-Y454 HydrophobicContact CH2-CE2 4.49Å; W38-S497 PolarHBondContact NE1-O 3.13Å; W38-V498 HydrophobicContact CH2-CG1 4.26Å; W38-V498 HydrophobicContact CZ2-CB 4.34Å; W38-V498 HydrophobicContact CZ2-CG1 3.93Å; W38-E501 HydrophobicContact CZ2-CB 3.85Å; W38-A515 HydrophobicContact CH2-CB 4.13Å; W38-A515 HydrophobicContact CZ3-CB 4.17Å; W38-A515 WeakPolarHBondContact CZ3-O 3.5Å; W38-R518 HydrophobicContact CE3-CB 3.75Å; W38-R518 HydrophobicContact CZ3-CB 4.02Å; W38-L519 HydrophobicContact CD2-CD1 4.24Å; W38-L519 HydrophobicContact CE3-CB 4.22Å; W38-L519 HydrophobicContact CE3-CD1 4.33Å; W38-L519 HydrophobicContact CH2-CB 3.9Å; W38-L519 HydrophobicContact CH2-CD1 3.82Å; W38-L519 HydrophobicContact CH2-CD2 4.34Å; W38-L519 HydrophobicContact CH2-CG 4.24Å; W38-L519 HydrophobicContact CZ2-CD1 3.67Å; W38-L519 HydrophobicContact CZ3-CB 3.68Å; W38-L519 HydrophobicContact CZ3-CD1 4.15Å; W38-L519 HydrophobicContact CZ3-CG 4.44Å; W38-H522 HydrophobicContact CB-CB 3.86Å; W38-H522 AromaticContact CD1-CD2 3.59Å; W38-H522 AromaticContact CD1-NE2 3.86Å; W38-H522 HydrophobicContact CG-CB 4.17Å; W38-H522 AromaticContact CG-CD2 3.73Å; W38-H522 AromaticContact CG-CG 3.94Å
39	P	98.7	Very high	93.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.26	C	S	.	.	S	Bend	cis	-54.7	158.6	-13.5	-31.7	40.4	0	0	0	115	A500 E501 W504	P39-A500 HydrophobicContact CG-CB 4.26Å; P39-E501 HydrophobicContact CB-CB 4.21Å; P39-E501 HydrophobicContact CB-CG 4.38Å; P39-E501 HydrophobicContact CG-CB 4.47Å; P39-W504 HydrophobicContact CB-CB 3.73Å; P39-W504 HydrophobicContact CB-CG 3.74Å; P39-W504 HydrophobicContact CG-CB 3.79Å; P39-W504 HydrophobicContact CG-CG 4.01Å
40	M	98.5	Very high	94.7	Very high	25 Å²	25	49.2 Å²	49.2	12%	0.123	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-63.7	127.9	170.8	-172.6	62.8	73.2	0	0	111.5	M36 I44 E501 S505 V509 R518	M36-M40 HydrophobicContact CE-CE 3.85Å; M36-M40 HydrophobicContact CE-SD 4.47Å; M40-I44 HydrophobicContact SD-CG2 3.94Å; M40-E501 PolarHBondContact N-OE2 2.88Å; M40-S505 PolarHBondContact N-OG 3.46Å; M40-S505 WeakPolarHBondContact O-CB 3.47Å; M40-S505 PolarHBondContact O-OG 3.02Å; M40-V509 HydrophobicContact CB-CG1 3.97Å; M40-V509 HydrophobicContact CB-CG2 4.49Å; M40-V509 HydrophobicContact CG-CG1 4.37Å; M40-V509 HydrophobicContact CG-CG2 4.31Å; M40-R518 VanDerWaalsContact CE-CD 3.46Å
41	P	98.7	Very high	95.3	Very high	4 Å²	4	47.8 Å²	47.8	3%	0.026	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-61.8	157.3	173.9	-26.4	36	0	0	0	113.6	P37 E43 I44 T155 I181 D183	P37-P41 HydrophobicContact CB-CG 4.27Å; P37-P41 HydrophobicContact CG-CG 3.82Å; P41-E43 VanDerWaalsContact C-N 3.31Å; P41-E43 PolarHBondContact O-N 3.15Å; P41-I44 HydrophobicContact CB-CB 4.46Å; P41-I44 HydrophobicContact CG-CD1 4.34Å; P41-T155 HydrophobicContact CG-CG2 4.38Å; P41-I181 HydrophobicContact CB-CG2 3.69Å; P41-I181 HydrophobicContact CG-CD1 4.41Å; P41-I181 HydrophobicContact CG-CG2 3.92Å; P41-D183 VanDerWaalsContact CA-OD1 3.31Å; P41-D183 WeakPolarHBondContact CA-OD1 3.43Å; P41-D183 HydrophobicContact CB-CB 4.01Å
42	Q	98.5	Very high	95.6	Very high	44 Å²	44	43.9 Å²	43.9	21%	0.206	23%	0.225	C	C	.	.	S	Bend	trans	-56	-45.4	173.3	-60.3	-64.1	-41.8	0	0	112.2	D183 R184 W504	Q42-D183 PolarHBondContact N-OD1 2.62Å; Q42-R184 HydrophobicContact CG-CG 3.83Å; Q42-R184 VanDerWaalsContact CG-O 3.28Å; Q42-R184 WeakPolarHBondContact CG-O 3.26Å; Q42-R184 PolarHBondContact NE2-O 2.81Å; Q42-W504 PolarHBondContact NE2-O 3.04Å
43	E	98.6	Very high	95.6	Very high	115 Å²	115	44.4 Å²	44.4	54%	0.537	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	131.8	175.5	-65.2	175.6	-166.4	0	0	110	P41 I181 T182	P41-E43 VanDerWaalsContact C-N 3.31Å; P41-E43 PolarHBondContact O-N 3.15Å; E43-I181 WeakPolarHBondContact O-CA 3.08Å; E43-T182 PolarHBondContact N-O 2.8Å; E43-T182 PolarHBondContact O-N 3.27Å; E43-T182 VanDerWaalsContact O-N 3.15Å
44	I	98.1	Very high	95.4	Very high	43 Å²	43	47.5 Å²	47.5	22%	0.221	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	130.6	178.7	-176.9	164.8	0	0	0	111.4	P37 M40 P41 L46 I181	P37-I44 HydrophobicContact CG-CD1 3.7Å; M40-I44 HydrophobicContact SD-CG2 3.94Å; P41-I44 HydrophobicContact CB-CB 4.46Å; P41-I44 HydrophobicContact CG-CD1 4.34Å; I44-L46 HydrophobicContact CD1-CD1 4.43Å; I44-L46 HydrophobicContact CD1-CD2 3.83Å; I44-L46 HydrophobicContact CD1-CG 4.1Å; I44-L46 HydrophobicContact CG1-CD2 4.01Å; I44-L46 HydrophobicContact CG1-CG 4.03Å; I44-I181 HydrophobicContact CB-CG1 4.16Å; I44-I181 HydrophobicContact CD1-CD1 3.92Å; I44-I181 HydrophobicContact CD1-CG1 4.11Å; I44-I181 HydrophobicContact CG1-CD1 4.15Å; I44-I181 HydrophobicContact CG1-CG1 3.77Å
45	H	98.1	Very high	95.3	Very high	132 Å²	132	49.8 Å²	49.8	61%	0.611	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.4	115.2	169.4	-59.4	-66.8	0	0	0	109.1	A179 K180	H45-A179 CarbonylContact O-C 3.41Å; H45-A179 VanDerWaalsContact O-CA 3.22Å; H45-A179 WeakPolarHBondContact O-CA 3.1Å; H45-K180 HydrophobicContact CB-CB 4.42Å; H45-K180 PolarHBondContact N-O 3.07Å; H45-K180 PolarHBondContact O-N 2.99Å
46	L	96.6	Very high	95.2	Very high	66 Å²	66	53.9 Å²	53.9	35%	0.346	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	147.6	179.7	-63.4	173.9	0	0	0	111	M36 I44 L159 R177 A179	M36-L46 HydrophobicContact CE-CD1 4.23Å; M36-L46 HydrophobicContact SD-CD1 3.3Å; M36-L46 WeakPolarHBondContact SD-CD1 3.16Å; I44-L46 HydrophobicContact CD1-CD1 4.43Å; I44-L46 HydrophobicContact CD1-CD2 3.83Å; I44-L46 HydrophobicContact CD1-CG 4.1Å; I44-L46 HydrophobicContact CG1-CD2 4.01Å; I44-L46 HydrophobicContact CG1-CG 4.03Å; L46-L159 HydrophobicContact CD2-CD2 3.94Å; L46-R177 HydrophobicContact CD2-CB 4.23Å; L46-A179 HydrophobicContact CD2-CB 4.02Å
47	G	94.5	Very high	95.2	Very high	28 Å²	28	53.1 Å²	53.1	29%	0.289	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	-163	172.2	0	0	0	0	0	112.5	T178	G47-T178 WeakPolarHBondContact CA-OG1 3.07Å; G47-T178 PolarHBondContact N-O 2.8Å
48	E	92.9	Very high	95.1	Very high	153 Å²	153	54.7 Å²	54.7	72%	0.715	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	150.5	-179.9	-65.6	-55.8	141.2	0	0	112.1	T178	E48-T178 PolarHBondContact N-OG1 3.17Å; E48-T178 VanDerWaalsContact N-OG1 3.16Å; E48-T178 WeakPolarHBondContact O-CB 3.24Å; E48-T178 VanDerWaalsContact O-CG2 3.26Å; E48-T178 WeakPolarHBondContact O-CG2 3.37Å; E48-T178 PolarHBondContact O-N 3.3Å; E48-T178 VanDerWaalsContact O-N 3.11Å; E48-T178 PolarHBondContact O-OG1 2.74Å
49	P	93.4	Very high	95.1	Very high	60 Å²	60	56.2 Å²	56.2	39%	0.39	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	150.7	-179.6	31.4	-34.3	0	0	0	113.1	I161 A175 I176	P49-I161 HydrophobicContact CB-CD1 4.06Å; P49-A175 HydrophobicContact CB-CB 4.08Å; P49-I176 CarbonylContact C-O 3.54Å; P49-I176 VanDerWaalsContact CA-O 3.28Å; P49-I176 WeakPolarHBondContact CA-O 3.48Å
50	L	94.2	Very high	95	Very high	8 Å²	8	62.3 Å²	62.3	4%	0.042	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	149.7	167.5	-59.3	174.5	0	0	0	109.7	A103 L105 V133 E134 A175 I176 T178	L50-A103 HydrophobicContact CD2-CB 3.45Å; L50-A103 VanDerWaalsContact CD2-CB 3.45Å; L50-L105 HydrophobicContact CD1-CB 4.3Å; L50-L105 HydrophobicContact CD1-CD1 4.38Å; L50-V133 HydrophobicContact CD1-CG1 4.41Å; L50-E134 WeakPolarHBondContact CD1-O 3.02Å; L50-A175 CarbonylContact O-C 3.59Å; L50-A175 WeakPolarHBondContact O-CA 3.39Å; L50-A175 VanDerWaalsContact O-CB 3.3Å; L50-A175 WeakPolarHBondContact O-CB 3.35Å; L50-I176 HydrophobicContact CB-CG2 4.21Å; L50-I176 PolarHBondContact N-O 2.82Å; L50-I176 PolarHBondContact O-N 2.81Å; L50-T178 HydrophobicContact CD1-CG2 3.91Å; L50-T178 HydrophobicContact CD2-CG2 4.32Å; L50-T178 HydrophobicContact CG-CG2 3.82Å
51	S	92.8	Very high	95	Very high	38 Å²	38	63.4 Å²	63.4	27%	0.266	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	142	170.3	-68.7	0	0	0	0	111.2	V102 A103 Y104 L105	S51-V102 WeakPolarHBondContact OG-CG1 3.21Å; S51-A103 PolarHBondContact N-O 3.25Å; S51-Y104 CarbonylContact O-C 3.48Å; S51-Y104 VanDerWaalsContact O-CA 3.29Å; S51-Y104 WeakPolarHBondContact O-CA 3.36Å; S51-L105 PolarHBondContact O-N 2.02Å
52	L	92.2	Very high	94.8	Very high	6 Å²	6	71.8 Å²	71.8	3%	0.031	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120.9	179.5	-179.9	64.2	0	0	0	109.1	F57 M79 F80 L105 I160 L174 I176	L52-F57 HydrophobicContact CD1-CB 4.01Å; L52-F57 HydrophobicContact CD1-CD2 3.93Å; L52-F57 HydrophobicContact CD1-CG 3.93Å; L52-M79 HydrophobicContact CD2-CE 4.06Å; L52-F80 HydrophobicContact CD1-CE1 4.22Å; L52-F80 HydrophobicContact CD1-CZ 4.15Å; L52-F80 HydrophobicContact CD2-CE1 4.19Å; L52-F80 HydrophobicContact CD2-CZ 4.45Å; L52-F80 HydrophobicContact CG-CE1 3.81Å; L52-F80 HydrophobicContact CG-CZ 4.19Å; L52-L105 HydrophobicContact CD1-CB 4.38Å; L52-L105 HydrophobicContact CD1-CD2 4.34Å; L52-I160 HydrophobicContact CD2-CD1 3.76Å; L52-I160 HydrophobicContact CD2-CG1 3.91Å; L52-I160 HydrophobicContact CD2-CG2 4.29Å; L52-L174 HydrophobicContact CB-CB 4.1Å; L52-L174 HydrophobicContact CD2-CD1 4.36Å; L52-L174 PolarHBondContact N-O 3.28Å; L52-I176 HydrophobicContact CB-CG2 4.5Å
53	V	89.5	Confident	94.7	Very high	53 Å²	53	71 Å²	71	32%	0.321	36%	0.364	S	S	.	.			trans	-131.5	133.6	-178.7	-164.7	0	0	0	0	109.1	D55 K56 F57 Y104	V53-D55 WeakPolarHBondContact CG1-OD1 3.41Å; V53-D55 PolarHBondContact O-N 3.24Å; V53-K56 HydrophobicContact CB-CB 4.34Å; V53-K56 HydrophobicContact CB-CD 4.29Å; V53-K56 HydrophobicContact CB-CG 4.42Å; V53-K56 HydrophobicContact CG2-CD 4.47Å; V53-K56 PolarHBondContact O-N 2.79Å; V53-K56 VanDerWaalsContact O-N 3.14Å; V53-F57 PolarHBondContact O-N 3.3Å; V53-F57 VanDerWaalsContact O-N 3.16Å; V53-Y104 HydrophobicContact CG2-CD1 3.87Å; V53-Y104 HydrophobicContact CG2-CE1 3.74Å
54	E	89.8	Confident	94.6	Very high	96 Å²	96	69.9 Å²	69.9	45%	0.449	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-58.9	-42.2	-170.6	-173.9	173	179	0	0	113.4	K56 F80	E54-K56 VanDerWaalsContact C-N 3.28Å; E54-K56 PolarHBondContact O-N 3.27Å; E54-F80 VanDerWaalsContact CA-CE1 3.4Å; E54-F80 HydrophobicContact CB-CB 4.32Å; E54-F80 HydrophobicContact CB-CD1 3.57Å; E54-F80 HydrophobicContact CB-CD2 4.16Å; E54-F80 HydrophobicContact CB-CE1 3.83Å; E54-F80 HydrophobicContact CB-CE2 4.42Å; E54-F80 HydrophobicContact CB-CG 3.74Å; E54-F80 HydrophobicContact CB-CZ 4.27Å; E54-F80 HydrophobicContact CG-CB 4.24Å; E54-F80 HydrophobicContact CG-CD1 4.12Å; E54-F80 HydrophobicContact CG-CD2 3.78Å; E54-F80 HydrophobicContact CG-CE1 4.45Å; E54-F80 HydrophobicContact CG-CE2 4.16Å; E54-F80 HydrophobicContact CG-CG 3.76Å; E54-F80 HydrophobicContact CG-CZ 4.49Å
55	D	90	Very high	94.6	Very high	137 Å²	137	68.1 Å²	68.1	73%	0.733	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-74.7	-16.5	-178.7	67.1	-24	0	0	0	113.7	V53	V53-D55 WeakPolarHBondContact CG1-OD1 3.41Å; V53-D55 PolarHBondContact O-N 3.24Å
56	K	91.9	Very high	94.5	Very high	86 Å²	86	65.3 Å²	65.3	37%	0.374	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-100.1	-12.3	179.8	-66.5	180	-175.5	179.5	0	113.5	V53 E54 Y104 T106	V53-K56 HydrophobicContact CB-CB 4.34Å; V53-K56 HydrophobicContact CB-CD 4.29Å; V53-K56 HydrophobicContact CB-CG 4.42Å; V53-K56 HydrophobicContact CG2-CD 4.47Å; V53-K56 PolarHBondContact O-N 2.79Å; V53-K56 VanDerWaalsContact O-N 3.14Å; E54-K56 VanDerWaalsContact C-N 3.28Å; E54-K56 PolarHBondContact O-N 3.27Å; K56-Y104 HydrophobicContact CD-CD1 3.97Å; K56-Y104 HydrophobicContact CD-CE1 4.15Å; K56-Y104 HydrophobicContact CD-CG 4.32Å; K56-T106 WeakPolarHBondContact O-CA 3.38Å; K56-T106 VanDerWaalsContact O-O 3.14Å
57	F	95.5	Very high	94.6	Very high	21 Å²	21	62.1 Å²	62.1	9%	0.092	34%	0.339	C	S	.	.			trans	-102.4	140.5	-174.7	178.9	-100.6	0	0	0	112.8	L52 V53 F59 M79 F80 L105 T106 L108 F156	L52-F57 HydrophobicContact CD1-CB 4.01Å; L52-F57 HydrophobicContact CD1-CD2 3.93Å; L52-F57 HydrophobicContact CD1-CG 3.93Å; V53-F57 PolarHBondContact O-N 3.3Å; V53-F57 VanDerWaalsContact O-N 3.16Å; F57-F59 HydrophobicContact CE1-CD1 4.33Å; F57-F59 AromaticContact CE1-CD2 3.97Å; F57-F59 HydrophobicContact CE1-CD2 3.97Å; F57-F59 HydrophobicContact CE1-CE1 4.07Å; F57-F59 AromaticContact CE1-CE2 3.69Å; F57-F59 HydrophobicContact CE1-CE2 3.69Å; F57-F59 HydrophobicContact CE1-CG 4.31Å; F57-F59 AromaticContact CE1-CZ 3.75Å; F57-F59 HydrophobicContact CE1-CZ 3.75Å; F57-F59 HydrophobicContact CZ-CD1 4.27Å; F57-F59 HydrophobicContact CZ-CE1 4.08Å; F57-F59 HydrophobicContact CZ-CE2 4.49Å; F57-F59 HydrophobicContact CZ-CZ 4.21Å; F57-M79 HydrophobicContact CD1-CE 4.18Å; F57-M79 HydrophobicContact CE1-CE 3.74Å; F57-M79 HydrophobicContact CE1-SD 4.48Å; F57-M79 HydrophobicContact CZ-CE 4.09Å; F57-F80 HydrophobicContact CB-CZ 4.05Å; F57-F80 HydrophobicContact CD1-CE2 4.14Å; F57-F80 AromaticContact CD1-CZ 3.91Å; F57-F80 HydrophobicContact CD1-CZ 3.91Å; F57-F80 HydrophobicContact CG-CZ 4.24Å; F57-L105 HydrophobicContact CD2-CD2 4.01Å; F57-L105 HydrophobicContact CD2-CG 4.11Å; F57-L105 HydrophobicContact CE2-CD2 3.69Å; F57-L105 HydrophobicContact CE2-CG 4.11Å; F57-T106 CarbonylContact C-O 3.58Å; F57-T106 VanDerWaalsContact CA-O 3.27Å; F57-T106 WeakPolarHBondContact CA-O 3.4Å; F57-L108 HydrophobicContact CE2-CB 4.09Å; F57-L108 HydrophobicContact CZ-CB 3.86Å; F57-F156 HydrophobicContact CE2-CE1 4.42Å; F57-F156 AromaticContact CE2-CZ 3.9Å; F57-F156 HydrophobicContact CE2-CZ 3.9Å; F57-F156 AromaticContact CZ-CE1 3.85Å; F57-F156 HydrophobicContact CZ-CE1 3.85Å; F57-F156 AromaticContact CZ-CZ 3.77Å; F57-F156 HydrophobicContact CZ-CZ 3.77Å
58	S	96.8	Very high	94.8	Very high	33 Å²	33	60.8 Å²	60.8	23%	0.231	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	144.8	174.2	61	0	0	0	0	113.7	R60 T106 E107 L108	S58-R60 PolarHBondContact OG-NE 3.37Å; S58-R60 PolarHBondContact OG-NH2 3.49Å; S58-T106 PolarHBondContact N-O 2.95Å; S58-E107 WeakPolarHBondContact O-CA 3.45Å; S58-L108 PolarHBondContact O-N 3.31Å
59	F	97.8	Very high	95	Very high	33 Å²	33	58 Å²	58	15%	0.145	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	135.9	166.3	-64.2	-83	0	0	0	109.6	F57 I72 K76 M79 L108 I110 L153	F57-F59 HydrophobicContact CE1-CD1 4.33Å; F57-F59 AromaticContact CE1-CD2 3.97Å; F57-F59 HydrophobicContact CE1-CD2 3.97Å; F57-F59 HydrophobicContact CE1-CE1 4.07Å; F57-F59 AromaticContact CE1-CE2 3.69Å; F57-F59 HydrophobicContact CE1-CE2 3.69Å; F57-F59 HydrophobicContact CE1-CG 4.31Å; F57-F59 AromaticContact CE1-CZ 3.75Å; F57-F59 HydrophobicContact CE1-CZ 3.75Å; F57-F59 HydrophobicContact CZ-CD1 4.27Å; F57-F59 HydrophobicContact CZ-CE1 4.08Å; F57-F59 HydrophobicContact CZ-CE2 4.49Å; F57-F59 HydrophobicContact CZ-CZ 4.21Å; F59-I72 HydrophobicContact CB-CD1 4.17Å; F59-I72 HydrophobicContact CB-CG1 4.32Å; F59-I72 HydrophobicContact CB-CG2 4.09Å; F59-I72 HydrophobicContact CD1-CG1 4.49Å; F59-I72 HydrophobicContact CD2-CG2 3.71Å; F59-I72 HydrophobicContact CE2-CG2 4.34Å; F59-I72 HydrophobicContact CG-CG1 4.27Å; F59-I72 HydrophobicContact CG-CG2 4.01Å; F59-K76 HydrophobicContact CE2-CB 4.12Å; F59-M79 HydrophobicContact CE2-SD 4.46Å; F59-M79 HydrophobicContact CZ-SD 3.74Å; F59-L108 HydrophobicContact CD1-CB 4.2Å; F59-L108 HydrophobicContact CD1-CD2 3.9Å; F59-L108 HydrophobicContact CD1-CG 4.43Å; F59-L108 HydrophobicContact CE1-CD2 3.79Å; F59-I110 HydrophobicContact CD1-CD1 4.05Å; F59-L153 HydrophobicContact CD1-CD2 4.47Å; F59-L153 HydrophobicContact CE1-CD2 3.99Å
60	R	97.9	Very high	95.2	Very high	128 Å²	128	57.6 Å²	57.6	48%	0.483	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.6	179.2	-60.9	-64.4	-173.5	-166.5	-5.5	109.6	S58 E107 L108 H109 I110	S58-R60 PolarHBondContact OG-NE 3.37Å; S58-R60 PolarHBondContact OG-NH2 3.49Å; R60-E107 HydrophobicContact CG-CB 4.11Å; R60-E107 IonicContact NE-OE2 2.75Å; R60-L108 PolarHBondContact N-O 3.14Å; R60-H109 CarbonylContact O-C 3.37Å; R60-H109 WeakPolarHBondContact O-CA 3.45Å; R60-I110 PolarHBondContact O-N 2.94Å
61	T	97.6	Very high	95.4	Very high	48 Å²	48	57.3 Å²	57.3	29%	0.294	31%	0.306	S	S	.	.			trans	-161.1	141.8	177.4	-178.8	0	0	0	0	110	F63 L68 I72 I110	T61-F63 VanDerWaalsContact OG1-CB 3.31Å; T61-F63 WeakPolarHBondContact OG1-CB 3.44Å; T61-F63 PolarHBondContact OG1-N 2.81Å; T61-L68 HydrophobicContact CG2-CD2 3.9Å; T61-I72 HydrophobicContact CG2-CD1 4.12Å; T61-I110 PolarHBondContact OG1-O 3.39Å
62	D	95	Very high	95.6	Very high	179 Å²	179	57 Å²	57	96%	0.957	30%	0.302	S	S	*	.			trans	-95.7	2.6	167.9	-66.7	-34.1	0	0	0	111.6	A64	D62-A64 PolarHBondContact O-N 3.27Å
63	F	96.6	Very high	95.8	Very high	29 Å²	29	62.8 Å²	62.8	13%	0.127	33%	0.328	C	S	.	.			trans	-90.5	103.4	-176.8	-174.6	-106.6	0	0	0	111.7	T61 C65 L68 I112 A114 C116 I146	T61-F63 VanDerWaalsContact OG1-CB 3.31Å; T61-F63 WeakPolarHBondContact OG1-CB 3.44Å; T61-F63 PolarHBondContact OG1-N 2.81Å; F63-C65 HydrophobicContact CD1-CB 3.56Å; F63-C65 HydrophobicContact CE1-CB 3.18Å; F63-C65 HydrophobicContact CZ-CB 3.96Å; F63-C65 PolarHBondContact O-N 3.02Å; F63-L68 HydrophobicContact CB-CD2 4.27Å; F63-L68 HydrophobicContact CD1-CB 4.39Å; F63-L68 HydrophobicContact CD1-CD2 3.79Å; F63-I112 HydrophobicContact CD1-CB 4.35Å; F63-I112 HydrophobicContact CD1-CD1 3.41Å; F63-I112 VanDerWaalsContact CD1-CD1 3.41Å; F63-I112 HydrophobicContact CD1-CG1 4.44Å; F63-I112 HydrophobicContact CD2-CB 4.16Å; F63-I112 HydrophobicContact CD2-CG2 4.45Å; F63-I112 HydrophobicContact CE1-CB 4.41Å; F63-I112 HydrophobicContact CE1-CD1 3.55Å; F63-I112 HydrophobicContact CE1-CG2 4.33Å; F63-I112 HydrophobicContact CE2-CB 4.3Å; F63-I112 HydrophobicContact CE2-CG2 4.09Å; F63-I112 HydrophobicContact CG-CB 4.17Å; F63-I112 HydrophobicContact CG-CD1 3.98Å; F63-I112 HydrophobicContact CZ-CB 4.37Å; F63-I112 HydrophobicContact CZ-CD1 4.29Å; F63-I112 HydrophobicContact CZ-CG2 3.97Å; F63-A114 WeakPolarHBondContact CE2-O 3.45Å; F63-C116 HydrophobicContact CE1-CB 4.26Å; F63-C116 HydrophobicContact CE2-CB 4.38Å; F63-C116 HydrophobicContact CZ-CB 3.77Å; F63-I146 HydrophobicContact CE1-CB 4.29Å; F63-I146 HydrophobicContact CE1-CD1 4.11Å; F63-I146 HydrophobicContact CE1-CG1 4.46Å
64	A	95.8	Very high	96.1	Very high	91 Å²	91	61.4 Å²	61.4	75%	0.752	32%	0.318	S	S	*	.			trans	-78.4	110.9	174.8	0	0	0	0	0	111.2	D62	D62-A64 PolarHBondContact O-N 3.27Å
65	C	97.5	Very high	96.5	Very high	5 Å²	5	57 Å²	57	3%	0.034	30%	0.297	C	S	.	.			trans	-157.9	130.1	179.9	-168.6	0	0	0	0	111.6	F63 I67 L68 D69 C116	F63-C65 HydrophobicContact CD1-CB 3.56Å; F63-C65 HydrophobicContact CE1-CB 3.18Å; F63-C65 HydrophobicContact CZ-CB 3.96Å; F63-C65 PolarHBondContact O-N 3.02Å; C65-I67 VanDerWaalsContact C-N 3.27Å; C65-I67 PolarHBondContact O-N 3.46Å; C65-L68 HydrophobicContact CB-CB 4.07Å; C65-L68 PolarHBondContact O-N 3.21Å; C65-D69 PolarHBondContact O-N 3.24Å; C65-C116 WeakPolarHBondContact CA-SG 3.29Å; C65-C116 HydrophobicContact CB-CB 3.52Å; C65-C116 WeakPolarHBondContact CB-SG 3.23Å; C65-C116 WeakPolarHBondContact SG-CB 3.2Å; C65-C116 CovalentContact SG-SG 2.04Å; C65-C116 PolarHBondContact SG-SG 3.08Å
66	D	97	Very high	96.6	Very high	73 Å²	73	55.8 Å²	55.8	39%	0.39	29%	0.285	S	S	.	.	H	α-helix	trans	-61.9	-34.3	-178.4	67.8	-29.7	0	0	0	113.1	H70 R266	D66-H70 WeakPolarHBondContact O-CB 3.26Å; D66-H70 PolarHBondContact O-N 3.18Å; D66-H70 VanDerWaalsContact O-N 3.07Å; D66-R266 IonicContact OD1-CZ 3.14Å; D66-R266 IonicContact OD1-NH1 2.77Å; D66-R266 PolarHBondContact OD1-NH1 3Å; D66-R266 IonicContact OD1-NH2 2.75Å; D66-R266 IonicContact OD2-CZ 3.66Å; D66-R266 IonicContact OD2-NH1 2.94Å; D66-R266 IonicContact OD2-NH2 3.19Å; D66-R266 PolarHBondContact OD2-NH2 3.46Å
67	I	98.1	Very high	96.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.4	-45	172.5	-63.6	158.8	0	0	0	110.7	C65 A71 P117 I146 W147 L150 R266 L267	C65-I67 VanDerWaalsContact C-N 3.27Å; C65-I67 PolarHBondContact O-N 3.46Å; I67-A71 PolarHBondContact O-N 3.28Å; I67-A71 VanDerWaalsContact O-N 3.1Å; I67-P117 HydrophobicContact CD1-CG 4.06Å; I67-I146 HydrophobicContact CB-CG1 4Å; I67-I146 HydrophobicContact CD1-CG1 4.48Å; I67-I146 HydrophobicContact CD1-CG2 4.29Å; I67-I146 HydrophobicContact CG2-CD1 4.19Å; I67-I146 HydrophobicContact CG2-CG1 3.61Å; I67-W147 HydrophobicContact CD1-CH2 3.65Å; I67-W147 HydrophobicContact CD1-CZ3 3.73Å; I67-L150 HydrophobicContact CG2-CD1 3.76Å; I67-L150 HydrophobicContact CG2-CD2 3.93Å; I67-L150 HydrophobicContact CG2-CG 4.13Å; I67-R266 VanDerWaalsContact CD1-NH1 3.25Å; I67-R266 VanDerWaalsContact CG1-NH1 3.27Å; I67-L267 HydrophobicContact CG1-CD2 4.24Å
68	L	98.2	Very high	96.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-70.6	-41.3	-178.7	-174.3	59.3	0	0	0	111.2	T61 F63 C65 H70 A71 I72 I110 I112 I146 L153	T61-L68 HydrophobicContact CG2-CD2 3.9Å; F63-L68 HydrophobicContact CB-CD2 4.27Å; F63-L68 HydrophobicContact CD1-CB 4.39Å; F63-L68 HydrophobicContact CD1-CD2 3.79Å; C65-L68 HydrophobicContact CB-CB 4.07Å; C65-L68 PolarHBondContact O-N 3.21Å; L68-H70 VanDerWaalsContact C-N 3.33Å; L68-H70 PolarHBondContact O-N 2.97Å; L68-A71 PolarHBondContact O-N 3.25Å; L68-I72 HydrophobicContact CD1-CD1 4.23Å; L68-I72 HydrophobicContact CD1-CG1 4.24Å; L68-I72 HydrophobicContact CD2-CD1 4.36Å; L68-I72 HydrophobicContact CG-CD1 3.87Å; L68-I72 HydrophobicContact CG-CG1 4.31Å; L68-I72 WeakPolarHBondContact O-CG1 3.25Å; L68-I72 PolarHBondContact O-N 3Å; L68-I110 HydrophobicContact CD1-CD1 4.14Å; L68-I110 HydrophobicContact CD1-CG2 4.25Å; L68-I110 HydrophobicContact CD2-CG2 4.29Å; L68-I112 HydrophobicContact CD2-CD1 4.13Å; L68-I146 HydrophobicContact CB-CD1 3.77Å; L68-I146 HydrophobicContact CD1-CD1 4.08Å; L68-I146 HydrophobicContact CG-CD1 4.41Å; L68-L153 HydrophobicContact CD1-CD1 3.94Å
69	D	97.6	Very high	96.2	Very high	94 Å²	94	54.6 Å²	54.6	50%	0.503	28%	0.281	S	S	.	.	H	α-helix	trans	-58.7	-46.7	177.6	-66.3	-25.3	0	0	0	110.8	C65 A71 I72 E73	C65-D69 PolarHBondContact O-N 3.24Å; D69-A71 PolarHBondContact O-N 3.35Å; D69-I72 PolarHBondContact O-N 3.49Å; D69-E73 WeakPolarHBondContact O-CB 3.35Å; D69-E73 PolarHBondContact O-N 3.25Å
70	H	97.2	Very high	95.6	Very high	51 Å²	51	53.9 Å²	53.9	24%	0.236	28%	0.278	C	S	.	.	H	α-helix	trans	-58.8	-45.7	174.9	-179.3	69.8	0	0	0	112.1	D66 L68 E73 Y74 L267	D66-H70 WeakPolarHBondContact O-CB 3.26Å; D66-H70 PolarHBondContact O-N 3.18Å; D66-H70 VanDerWaalsContact O-N 3.07Å; L68-H70 VanDerWaalsContact C-N 3.33Å; L68-H70 PolarHBondContact O-N 2.97Å; H70-E73 PolarHBondContact O-N 3.16Å; H70-Y74 WeakPolarHBondContact O-CB 3.15Å; H70-Y74 PolarHBondContact O-N 3.42Å; H70-L267 HydrophobicContact CB-CD2 4.19Å
71	A	98.2	Very high	94.7	Very high	2 Å²	2	51.2 Å²	51.2	2%	0.017	27%	0.27	C	S	.	.	H	α-helix	trans	-64.6	-44.3	179.1	0	0	0	0	0	112.1	I67 L68 D69 E73 Y74 Y75 L150 L153	I67-A71 PolarHBondContact O-N 3.28Å; I67-A71 VanDerWaalsContact O-N 3.1Å; L68-A71 PolarHBondContact O-N 3.25Å; D69-A71 PolarHBondContact O-N 3.35Å; A71-E73 PolarHBondContact O-N 3.29Å; A71-Y74 WeakPolarHBondContact O-CB 3.39Å; A71-Y74 PolarHBondContact O-N 3.4Å; A71-Y75 HydrophobicContact CB-CD2 4.37Å; A71-Y75 HydrophobicContact CB-CE2 4.34Å; A71-Y75 WeakPolarHBondContact O-CD2 3.37Å; A71-Y75 PolarHBondContact O-N 3.36Å; A71-L150 HydrophobicContact CB-CD2 3.5Å; A71-L150 VanDerWaalsContact CB-CD2 3.5Å; A71-L153 HydrophobicContact CB-CD1 3.89Å
72	I	97.8	Very high	93.4	Very high	32 Å²	32	52.4 Å²	52.4	16%	0.164	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-46.1	177.6	-74.4	173	0	0	0	110.6	F59 T61 L68 D69 Y74 K76 I110	F59-I72 HydrophobicContact CB-CD1 4.17Å; F59-I72 HydrophobicContact CB-CG1 4.32Å; F59-I72 HydrophobicContact CB-CG2 4.09Å; F59-I72 HydrophobicContact CD1-CG1 4.49Å; F59-I72 HydrophobicContact CD2-CG2 3.71Å; F59-I72 HydrophobicContact CE2-CG2 4.34Å; F59-I72 HydrophobicContact CG-CG1 4.27Å; F59-I72 HydrophobicContact CG-CG2 4.01Å; T61-I72 HydrophobicContact CG2-CD1 4.12Å; L68-I72 HydrophobicContact CD1-CD1 4.23Å; L68-I72 HydrophobicContact CD1-CG1 4.24Å; L68-I72 HydrophobicContact CD2-CD1 4.36Å; L68-I72 HydrophobicContact CG-CD1 3.87Å; L68-I72 HydrophobicContact CG-CG1 4.31Å; L68-I72 WeakPolarHBondContact O-CG1 3.25Å; L68-I72 PolarHBondContact O-N 3Å; D69-I72 PolarHBondContact O-N 3.49Å; I72-Y74 VanDerWaalsContact C-N 3.34Å; I72-Y74 PolarHBondContact O-N 2.82Å; I72-K76 VanDerWaalsContact O-CB 3.23Å; I72-K76 WeakPolarHBondContact O-CB 3.37Å; I72-K76 PolarHBondContact O-N 2.84Å; I72-I110 HydrophobicContact CD1-CD1 4.06Å; I72-I110 HydrophobicContact CG1-CD1 4.15Å
73	E	96.4	Very high	91.7	Very high	127 Å²	127	45.2 Å²	45.2	59%	0.593	23%	0.233	S	C	*	.	H	α-helix	trans	-59.3	-47	176.2	-175.9	179.8	-178.1	0	0	111	D69 H70 A71 N77	D69-E73 WeakPolarHBondContact O-CB 3.35Å; D69-E73 PolarHBondContact O-N 3.25Å; H70-E73 PolarHBondContact O-N 3.16Å; A71-E73 PolarHBondContact O-N 3.29Å; E73-N77 VanDerWaalsContact O-CG 3.26Å; E73-N77 PolarHBondContact O-N 2.87Å; E73-N77 VanDerWaalsContact O-N 3.12Å; E73-N77 PolarHBondContact O-ND2 3.42Å
74	Y	96.3	Very high	89.7	Confident	24 Å²	24	50.1 Å²	50.1	9%	0.094	26%	0.261	C	S	.	.	H	α-helix	trans	-57.5	-56.6	177.2	176.8	-98	0	0	0	112.4	H70 A71 I72 K76 N77 I78 E211 Q215 W268	H70-Y74 WeakPolarHBondContact O-CB 3.15Å; H70-Y74 PolarHBondContact O-N 3.42Å; A71-Y74 WeakPolarHBondContact O-CB 3.39Å; A71-Y74 PolarHBondContact O-N 3.4Å; I72-Y74 VanDerWaalsContact C-N 3.34Å; I72-Y74 PolarHBondContact O-N 2.82Å; Y74-K76 VanDerWaalsContact C-N 3.33Å; Y74-K76 PolarHBondContact O-N 2.76Å; Y74-N77 WeakPolarHBondContact O-CB 3.28Å; Y74-N77 PolarHBondContact O-N 2.71Å; Y74-N77 VanDerWaalsContact O-N 3.08Å; Y74-I78 HydrophobicContact CD1-CD1 4.18Å; Y74-I78 HydrophobicContact CD1-CG1 4.34Å; Y74-I78 HydrophobicContact CE1-CD1 3.46Å; Y74-I78 VanDerWaalsContact CE1-CD1 3.46Å; Y74-I78 HydrophobicContact CE1-CG1 4Å; Y74-I78 HydrophobicContact CE1-CG2 4.36Å; Y74-I78 HydrophobicContact CE2-CG2 4.05Å; Y74-I78 WeakPolarHBondContact O-CG1 3.28Å; Y74-I78 PolarHBondContact O-N 3.08Å; Y74-I78 VanDerWaalsContact O-N 3.11Å; Y74-E211 HydrophobicContact CE2-CG 4.29Å; Y74-E211 WeakPolarHBondContact CE2-OE1 3.27Å; Y74-E211 PolarHBondContact OH-OE1 3.11Å; Y74-Q215 PolarHBondContact OH-NE2 3.08Å; Y74-Q215 VanDerWaalsContact OH-NE2 3.16Å; Y74-W268 AromaticContact CD1-CH2 3.67Å; Y74-W268 HydrophobicContact CD1-CH2 3.67Å; Y74-W268 HydrophobicContact CD1-CZ3 4.23Å; Y74-W268 AromaticContact CD2-CH2 3.87Å; Y74-W268 HydrophobicContact CD2-CH2 3.87Å; Y74-W268 HydrophobicContact CD2-CZ2 4.24Å; Y74-W268 AromaticContact CE1-CH2 3.63Å; Y74-W268 HydrophobicContact CE1-CH2 3.63Å; Y74-W268 HydrophobicContact CE1-CZ3 4.19Å; Y74-W268 AromaticContact CE2-CH2 3.84Å; Y74-W268 HydrophobicContact CE2-CH2 3.84Å; Y74-W268 HydrophobicContact CE2-CZ2 4.27Å; Y74-W268 AromaticContact CG-CH2 3.78Å; Y74-W268 HydrophobicContact CG-CH2 3.78Å; Y74-W268 HydrophobicContact CG-CZ2 4.47Å; Y74-W268 AromaticContact CZ-CH2 3.71Å
75	Y	96.6	Very high	87.8	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-38.8	-176.4	-76	-67	0	0	0	111.9	A71 N77 I78 M79 L153 E154	A71-Y75 HydrophobicContact CB-CD2 4.37Å; A71-Y75 HydrophobicContact CB-CE2 4.34Å; A71-Y75 WeakPolarHBondContact O-CD2 3.37Å; A71-Y75 PolarHBondContact O-N 3.36Å; Y75-N77 VanDerWaalsContact C-N 3.28Å; Y75-N77 PolarHBondContact O-N 3.16Å; Y75-I78 HydrophobicContact CD1-CD1 3.79Å; Y75-I78 HydrophobicContact CD1-CG1 4.22Å; Y75-I78 HydrophobicContact CE1-CD1 4.11Å; Y75-I78 WeakPolarHBondContact O-CG1 3.07Å; Y75-I78 PolarHBondContact O-N 3.45Å; Y75-M79 VanDerWaalsContact O-CB 3.3Å; Y75-M79 WeakPolarHBondContact O-CB 3.05Å; Y75-M79 WeakPolarHBondContact O-CG 3.41Å; Y75-M79 PolarHBondContact O-N 3.38Å; Y75-L153 HydrophobicContact CD2-CB 3.66Å; Y75-L153 HydrophobicContact CD2-CD1 4.14Å; Y75-L153 HydrophobicContact CD2-CG 4.33Å; Y75-L153 HydrophobicContact CE2-CB 3.38Å; Y75-L153 HydrophobicContact CE2-CD1 4.23Å; Y75-L153 HydrophobicContact CE2-CG 4.38Å; Y75-L153 HydrophobicContact CG-CB 4.47Å; Y75-E154 HydrophobicContact CE1-CB 4.49Å; Y75-E154 WeakPolarHBondContact CE1-OE2 3.34Å; Y75-E154 WeakPolarHBondContact OH-CA 3.47Å; Y75-E154 VanDerWaalsContact OH-CB 3.22Å; Y75-E154 WeakPolarHBondContact OH-CB 3.33Å; Y75-E154 PolarHBondContact OH-N 2.85Å; Y75-E154 PolarHBondContact OH-OE2 3.27Å
76	K	93.7	Very high	85.8	Confident	112 Å²	112	55.8 Å²	55.8	49%	0.487	27%	0.269	S	S	.	.	H	α-helix	trans	-55.7	-45.5	172.8	-172.7	177.4	179	-179.4	0	111.4	F59 I72 Y74 I78	F59-K76 HydrophobicContact CE2-CB 4.12Å; I72-K76 VanDerWaalsContact O-CB 3.23Å; I72-K76 WeakPolarHBondContact O-CB 3.37Å; I72-K76 PolarHBondContact O-N 2.84Å; Y74-K76 VanDerWaalsContact C-N 3.33Å; Y74-K76 PolarHBondContact O-N 2.76Å; K76-I78 PolarHBondContact O-N 3.06Å
77	N	91.2	Very high	83.9	Confident	101 Å²	101	53.3 Å²	53.3	54%	0.54	26%	0.258	S	S	.	.	H	α-helix	trans	-66.5	-35.8	-179.1	-72.2	-25.6	0	0	0	113.1	E73 Y74 Y75 K81	E73-N77 VanDerWaalsContact O-CG 3.26Å; E73-N77 PolarHBondContact O-N 2.87Å; E73-N77 VanDerWaalsContact O-N 3.12Å; E73-N77 PolarHBondContact O-ND2 3.42Å; Y74-N77 WeakPolarHBondContact O-CB 3.28Å; Y74-N77 PolarHBondContact O-N 2.71Å; Y74-N77 VanDerWaalsContact O-N 3.08Å; Y75-N77 VanDerWaalsContact C-N 3.28Å; Y75-N77 PolarHBondContact O-N 3.16Å; N77-K81 WeakPolarHBondContact O-CB 3.33Å
78	I	91.5	Very high	81.7	Confident	12 Å²	12	57 Å²	57	6%	0.062	28%	0.281	C	S	.	.	H	α-helix	trans	-89.1	-30.3	-176.3	59.2	153.8	0	0	0	114.1	Y74 Y75 K76 F80 R162 Q528 R529	Y74-I78 HydrophobicContact CD1-CD1 4.18Å; Y74-I78 HydrophobicContact CD1-CG1 4.34Å; Y74-I78 HydrophobicContact CE1-CD1 3.46Å; Y74-I78 VanDerWaalsContact CE1-CD1 3.46Å; Y74-I78 HydrophobicContact CE1-CG1 4Å; Y74-I78 HydrophobicContact CE1-CG2 4.36Å; Y74-I78 HydrophobicContact CE2-CG2 4.05Å; Y74-I78 WeakPolarHBondContact O-CG1 3.28Å; Y74-I78 PolarHBondContact O-N 3.08Å; Y74-I78 VanDerWaalsContact O-N 3.11Å; Y75-I78 HydrophobicContact CD1-CD1 3.79Å; Y75-I78 HydrophobicContact CD1-CG1 4.22Å; Y75-I78 HydrophobicContact CE1-CD1 4.11Å; Y75-I78 WeakPolarHBondContact O-CG1 3.07Å; Y75-I78 PolarHBondContact O-N 3.45Å; K76-I78 PolarHBondContact O-N 3.06Å; I78-F80 PolarHBondContact O-N 3.18Å; I78-R162 PolarHBondContact O-NH2 3.42Å; I78-Q528 PolarHBondContact O-NE2 3.08Å; I78-R529 HydrophobicContact CB-CG 4.33Å; I78-R529 HydrophobicContact CD1-CG 4.28Å; I78-R529 VanDerWaalsContact CD1-NE 3.27Å; I78-R529 HydrophobicContact CG2-CG 4.24Å
79	M	91.3	Very high	79.3	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-60.6	-45.6	-177.1	-75.9	171.9	57.6	0	0	111.3	L52 F57 F59 Y75 F156 I160 R162	L52-M79 HydrophobicContact CD2-CE 4.06Å; F57-M79 HydrophobicContact CD1-CE 4.18Å; F57-M79 HydrophobicContact CE1-CE 3.74Å; F57-M79 HydrophobicContact CE1-SD 4.48Å; F57-M79 HydrophobicContact CZ-CE 4.09Å; F59-M79 HydrophobicContact CE2-SD 4.46Å; F59-M79 HydrophobicContact CZ-SD 3.74Å; Y75-M79 VanDerWaalsContact O-CB 3.3Å; Y75-M79 WeakPolarHBondContact O-CB 3.05Å; Y75-M79 WeakPolarHBondContact O-CG 3.41Å; Y75-M79 PolarHBondContact O-N 3.38Å; M79-F156 HydrophobicContact CE-CD1 4.46Å; M79-F156 HydrophobicContact CE-CE1 3.59Å; M79-F156 HydrophobicContact CE-CZ 4.33Å; M79-F156 HydrophobicContact SD-CD1 4.41Å; M79-F156 HydrophobicContact SD-CE1 4.01Å; M79-I160 HydrophobicContact CB-CD1 3.83Å; M79-I160 HydrophobicContact CE-CD1 3.77Å; M79-I160 HydrophobicContact CG-CD1 3.51Å; M79-I160 HydrophobicContact SD-CD1 4.28Å; M79-R162 PolarHBondContact O-NH2 2.57Å
80	F	86.8	Confident	76.8	Confident	17 Å²	17	64.3 Å²	64.3	8%	0.075	33%	0.328	C	S	.	.	S	Bend	trans	-96.4	-6.1	-175	-56.9	-75	0	0	0	114.1	L52 E54 F57 I78 Y82 C83 L174	L52-F80 HydrophobicContact CD1-CE1 4.22Å; L52-F80 HydrophobicContact CD1-CZ 4.15Å; L52-F80 HydrophobicContact CD2-CE1 4.19Å; L52-F80 HydrophobicContact CD2-CZ 4.45Å; L52-F80 HydrophobicContact CG-CE1 3.81Å; L52-F80 HydrophobicContact CG-CZ 4.19Å; E54-F80 VanDerWaalsContact CA-CE1 3.4Å; E54-F80 HydrophobicContact CB-CB 4.32Å; E54-F80 HydrophobicContact CB-CD1 3.57Å; E54-F80 HydrophobicContact CB-CD2 4.16Å; E54-F80 HydrophobicContact CB-CE1 3.83Å; E54-F80 HydrophobicContact CB-CE2 4.42Å; E54-F80 HydrophobicContact CB-CG 3.74Å; E54-F80 HydrophobicContact CB-CZ 4.27Å; E54-F80 HydrophobicContact CG-CB 4.24Å; E54-F80 HydrophobicContact CG-CD1 4.12Å; E54-F80 HydrophobicContact CG-CD2 3.78Å; E54-F80 HydrophobicContact CG-CE1 4.45Å; E54-F80 HydrophobicContact CG-CE2 4.16Å; E54-F80 HydrophobicContact CG-CG 3.76Å; E54-F80 HydrophobicContact CG-CZ 4.49Å; F57-F80 HydrophobicContact CB-CZ 4.05Å; F57-F80 HydrophobicContact CD1-CE2 4.14Å; F57-F80 AromaticContact CD1-CZ 3.91Å; F57-F80 HydrophobicContact CD1-CZ 3.91Å; F57-F80 HydrophobicContact CG-CZ 4.24Å; I78-F80 PolarHBondContact O-N 3.18Å; F80-Y82 PolarHBondContact O-N 3.4Å; F80-C83 WeakPolarHBondContact O-CB 3.48Å; F80-C83 PolarHBondContact O-N 3.26Å; F80-C83 PolarHBondContact O-SG 3.4Å; F80-L174 HydrophobicContact CD1-CD1 3.87Å; F80-L174 HydrophobicContact CE1-CD1 4.35Å
81	K	79.3	Confident	74.2	Confident	72 Å²	72	67.2 Å²	67.2	31%	0.313	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	135.1	178.7	-166.2	-174.5	-179	-169.1	0	111.5	N77 R162 Q528 R529	N77-K81 WeakPolarHBondContact O-CB 3.33Å; K81-R162 PolarHBondContact O-NH1 3Å; K81-Q528 PolarHBondContact NZ-O 3.1Å; K81-Q528 PolarHBondContact O-NE2 3.32Å; K81-R529 PolarHBondContact NZ-O 3.09Å
82	Y	68.5	Low	71.6	Confident	73 Å²	73	74.3 Å²	74.3	29%	0.286	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	0.1	-176.3	-58.7	-78.3	0	0	0	117.7	F80 L86 Q528	F80-Y82 PolarHBondContact O-N 3.4Å; Y82-L86 WeakPolarHBondContact O-CB 3.08Å; Y82-L86 WeakPolarHBondContact O-CD1 3.39Å; Y82-L86 WeakPolarHBondContact O-CG 3.29Å; Y82-L86 PolarHBondContact O-N 3.1Å; Y82-Q528 HydrophobicContact CD2-CG 3.94Å; Y82-Q528 HydrophobicContact CE2-CG 4.3Å; Y82-Q528 WeakPolarHBondContact CE2-O 3.3Å
83	C	60.8	Low	68.7	Low	28 Å²	28	78 Å²	78	19%	0.189	40%	0.396	C	S	.	.	H	α-helix	trans	-66.4	-45.7	-178.1	-60.3	0	0	0	0	112.9	F80 K85 L86 C87 L174	F80-C83 WeakPolarHBondContact O-CB 3.48Å; F80-C83 PolarHBondContact O-N 3.26Å; F80-C83 PolarHBondContact O-SG 3.4Å; C83-K85 VanDerWaalsContact C-N 3.31Å; C83-K85 PolarHBondContact O-N 2.55Å; C83-L86 PolarHBondContact O-N 3.45Å; C83-C87 PolarHBondContact O-N 3.28Å; C83-L174 WeakPolarHBondContact SG-CD1 3.46Å; C83-L174 WeakPolarHBondContact SG-CG 3.15Å
84	D	54.5	Low	65.6	Low	133 Å²	133	80.1 Å²	80.1	71%	0.711	41%	0.412	S	S	*	.	H	α-helix	trans	-68.6	-30	-177.4	-62.4	-21	0	0	0	113.6
85	K	56.5	Low	62.9	Low	176 Å²	176	82.7 Å²	82.7	77%	0.765	43%	0.433	S	S	*	.	H	α-helix	trans	-76.6	-28.9	178.4	-69.8	-171.2	179.7	-178.8	0	112.1	C83	C83-K85 VanDerWaalsContact C-N 3.31Å; C83-K85 PolarHBondContact O-N 2.55Å
86	L	54.7	Low	59.9	Low	38 Å²	38	88.6 Å²	88.6	20%	0.199	48%	0.475	C	S	.	.	H	α-helix	trans	-91.9	-31.4	-175.1	-66.8	170.4	0	0	0	112	Y82 C83 C171 P546	Y82-L86 WeakPolarHBondContact O-CB 3.08Å; Y82-L86 WeakPolarHBondContact O-CD1 3.39Å; Y82-L86 WeakPolarHBondContact O-CG 3.29Å; Y82-L86 PolarHBondContact O-N 3.1Å; C83-L86 PolarHBondContact O-N 3.45Å; L86-C171 PolarHBondContact O-SG 2.69Å; L86-P546 HydrophobicContact CD2-CG 4.19Å
87	C	56.4	Low	57.2	Low	22 Å²	22	90.1 Å²	90.1	15%	0.149	48%	0.484	C	S	.	.	S	Bend	trans	-123.8	86.1	174.7	-60.3	0	0	0	0	111.2	C83 S89 C171	C83-C87 PolarHBondContact O-N 3.28Å; C87-S89 PolarHBondContact O-N 3.07Å; C87-C171 WeakPolarHBondContact CA-SG 3.49Å; C87-C171 HydrophobicContact CB-CB 3.78Å; C87-C171 WeakPolarHBondContact CB-SG 3.41Å; C87-C171 WeakPolarHBondContact SG-CB 3.44Å; C87-C171 CovalentContact SG-SG 2.02Å; C87-C171 PolarHBondContact SG-SG 3.48Å
88	P	52.4	Low	54.5	Low	76 Å²	76	92.9 Å²	92.9	49%	0.494	49%	0.491	S	S	.	.			trans	-58.4	124.9	170.1	-17.1	28.9	0	0	0	108.7	N90 N91	P88-N90 PolarHBondContact O-N 2.76Å; P88-N91 PolarHBondContact O-N 2.83Å
89	S	48.7	Very low	52.4	Low	96 Å²	96	99.8 Å²	99.8	67%	0.671	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-52.6	-11.6	-175	38.9	0	0	0	0	115.6	C87	C87-S89 PolarHBondContact O-N 3.07Å
90	N	43.6	Very low	50.3	Low	152 Å²	152	104.9 Å²	104.9	81%	0.813	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-86	-3.4	177.5	-73	-15.5	0	0	0	115.4	P88	P88-N90 PolarHBondContact O-N 2.76Å
91	N	43.4	Very low	49	Very low	112 Å²	112	110.5 Å²	110.5	60%	0.599	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-110.7	18.5	-177.9	-88.6	-3.8	0	0	0	114.7	P88 T93	P88-N91 PolarHBondContact O-N 2.83Å; N91-T93 VanDerWaalsContact C-N 3.26Å; N91-T93 PolarHBondContact O-N 3.46Å
92	Y	42.8	Very low	48.5	Very low	152 Å²	152	109.4 Å²	109.4	60%	0.596	59%	0.585	S	S	*	*			trans	-62.6	96.5	161	-74.8	-77.9	0	0	0	107.6	N94	Y92-N94 PolarHBondContact O-N 3.09Å; Y92-N94 VanDerWaalsContact O-N 3.15Å
93	T	37.9	Very low	49.4	Very low	108 Å²	108	108.3 Å²	108.3	66%	0.663	59%	0.591	S	S	*	*			trans	-51.5	126	167.3	41.2	0	0	0	0	106.8	N91 S95	N91-T93 VanDerWaalsContact C-N 3.26Å; N91-T93 PolarHBondContact O-N 3.46Å; T93-S95 PolarHBondContact O-N 2.04Å
94	N	31.8	Very low	50.9	Low	172 Å²	172	109.6 Å²	109.6	92%	0.92	59%	0.592	S	S	*	*			trans	-53.6	73.4	171.1	-77.3	-37	0	0	0	110.2	Y92	Y92-N94 PolarHBondContact O-N 3.09Å; Y92-N94 VanDerWaalsContact O-N 3.15Å
95	S	37.9	Very low	52.9	Low	78 Å²	78	103.2 Å²	103.2	55%	0.545	56%	0.558	S	S	.	*			trans	-81.2	117.3	156.2	94.4	0	0	0	0	104.1	T93 Q97	T93-S95 PolarHBondContact O-N 2.04Å; S95-Q97 PolarHBondContact O-N 3.1Å
96	S	33.5	Very low	54.9	Low	128 Å²	128	97.6 Å²	97.6	90%	0.895	54%	0.539	S	S	*	.			trans	-68.3	39.8	178.5	52	0	0	0	0	112.6	K98	S96-K98 PolarHBondContact O-N 3.47Å
97	Q	37.5	Very low	56.9	Low	145 Å²	145	98 Å²	98	68%	0.678	54%	0.54	S	S	*	.			trans	-80.1	111.1	161.2	-79.3	-174.9	-18.4	0	0	106.6	S95 E99	S95-Q97 PolarHBondContact O-N 3.1Å; Q97-E99 PolarHBondContact O-N 2.73Å
98	K	35.7	Very low	58.9	Low	158 Å²	158	97 Å²	97	69%	0.687	53%	0.533	S	S	*	.			trans	-48.5	133.7	167.8	-73.3	174.7	172.9	176.3	0	107.7	S96 T100 D101	S96-K98 PolarHBondContact O-N 3.47Å; K98-T100 VanDerWaalsContact CB-OG1 3.28Å; K98-T100 WeakPolarHBondContact CB-OG1 3.4Å; K98-T100 PolarHBondContact O-N 2.83Å; K98-D101 PolarHBondContact O-N 2.89Å
99	E	46.7	Very low	61.1	Low	157 Å²	157	95.8 Å²	95.8	73%	0.734	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	-9.7	171.8	-106.7	177.6	153.2	0	0	114.6	Q97	Q97-E99 PolarHBondContact O-N 2.73Å
100	T	47.9	Very low	63.5	Low	109 Å²	109	91.5 Å²	91.5	67%	0.669	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-11.7	-176.9	56.5	0	0	0	0	115.7	K98	K98-T100 VanDerWaalsContact CB-OG1 3.28Å; K98-T100 WeakPolarHBondContact CB-OG1 3.4Å; K98-T100 PolarHBondContact O-N 2.83Å
101	D	58.1	Low	66.1	Low	136 Å²	136	87.7 Å²	87.7	73%	0.727	47%	0.469	S	S	*	.	S	Bend	trans	-110.3	0.2	-174.8	-69.3	-15	0	0	0	114.8	K98	K98-D101 PolarHBondContact O-N 2.89Å
102	V	68.8	Low	68.7	Low	49 Å²	49	83.2 Å²	83.2	30%	0.297	45%	0.445	S	S	.	.			trans	-91.6	118.6	179.4	-177.4	0	0	0	0	109.7	S51 Y104	S51-V102 WeakPolarHBondContact OG-CG1 3.21Å; V102-Y104 HydrophobicContact CB-CE2 3.99Å; V102-Y104 HydrophobicContact CG1-CE1 4.35Å; V102-Y104 HydrophobicContact CG1-CE2 4.14Å; V102-Y104 WeakPolarHBondContact O-CD2 3.26Å; V102-Y104 WeakPolarHBondContact O-CE2 3.34Å
103	A	87.8	Confident	71.2	Confident	50 Å²	50	81 Å²	81	41%	0.413	44%	0.443	S	S	.	.			trans	-78.9	127.9	175	0	0	0	0	0	110.3	L50 S51	L50-A103 HydrophobicContact CD2-CB 3.45Å; L50-A103 VanDerWaalsContact CD2-CB 3.45Å; S51-A103 PolarHBondContact N-O 3.25Å
104	Y	93.3	Very high	74	Confident	54 Å²	54	77.1 Å²	77.1	21%	0.212	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	143	-178.1	-64.4	-90.9	0	0	0	110.7	S51 V53 K56 V102 G137	S51-Y104 CarbonylContact O-C 3.48Å; S51-Y104 VanDerWaalsContact O-CA 3.29Å; S51-Y104 WeakPolarHBondContact O-CA 3.36Å; V53-Y104 HydrophobicContact CG2-CD1 3.87Å; V53-Y104 HydrophobicContact CG2-CE1 3.74Å; K56-Y104 HydrophobicContact CD-CD1 3.97Å; K56-Y104 HydrophobicContact CD-CE1 4.15Å; K56-Y104 HydrophobicContact CD-CG 4.32Å; V102-Y104 HydrophobicContact CB-CE2 3.99Å; V102-Y104 HydrophobicContact CG1-CE1 4.35Å; V102-Y104 HydrophobicContact CG1-CE2 4.14Å; V102-Y104 WeakPolarHBondContact O-CD2 3.26Å; V102-Y104 WeakPolarHBondContact O-CE2 3.34Å; Y104-G137 WeakPolarHBondContact O-CA 3.25Å
105	L	96.6	Very high	77	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	121.2	160.1	-174.2	74.3	0	0	0	109.2	L50 S51 L52 F57 V133 G137 A139 F156 I176	L50-L105 HydrophobicContact CD1-CB 4.3Å; L50-L105 HydrophobicContact CD1-CD1 4.38Å; S51-L105 PolarHBondContact O-N 2.02Å; L52-L105 HydrophobicContact CD1-CB 4.38Å; L52-L105 HydrophobicContact CD1-CD2 4.34Å; F57-L105 HydrophobicContact CD2-CD2 4.01Å; F57-L105 HydrophobicContact CD2-CG 4.11Å; F57-L105 HydrophobicContact CE2-CD2 3.69Å; F57-L105 HydrophobicContact CE2-CG 4.11Å; L105-V133 HydrophobicContact CD1-CG1 4.09Å; L105-G137 WeakPolarHBondContact CD1-O 3.02Å; L105-A139 HydrophobicContact CD1-CB 3.87Å; L105-F156 HydrophobicContact CD2-CE2 3.77Å; L105-F156 HydrophobicContact CD2-CZ 3.56Å; L105-I176 HydrophobicContact CB-CG2 3.89Å; L105-I176 HydrophobicContact CD2-CD1 3.93Å; L105-I176 HydrophobicContact CD2-CG2 3.84Å; L105-I176 HydrophobicContact CG-CG2 4.44Å
106	T	96.4	Very high	79.8	Confident	58 Å²	58	72.7 Å²	72.7	36%	0.356	40%	0.401	S	S	.	.			trans	-106.8	-28.8	-175.9	57.2	0	0	0	0	113	K56 F57 S58 G137	K56-T106 WeakPolarHBondContact O-CA 3.38Å; K56-T106 VanDerWaalsContact O-O 3.14Å; F57-T106 CarbonylContact C-O 3.58Å; F57-T106 VanDerWaalsContact CA-O 3.27Å; F57-T106 WeakPolarHBondContact CA-O 3.4Å; S58-T106 PolarHBondContact N-O 2.95Å; T106-G137 PolarHBondContact N-O 2.75Å; T106-G137 PolarHBondContact OG1-O 3.27Å; T106-G137 VanDerWaalsContact OG1-O 3.09Å
107	E	97.4	Very high	82.7	Confident	46 Å²	46	68 Å²	68	22%	0.215	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	150	-177.4	60.4	-173.7	-169.6	0	0	114.2	S58 R60 H109 T138 A139	S58-E107 WeakPolarHBondContact O-CA 3.45Å; R60-E107 HydrophobicContact CG-CB 4.11Å; R60-E107 IonicContact NE-OE2 2.75Å; E107-H109 IonicContact OE1-CD2 3.3Å; E107-H109 IonicContact OE1-CE1 3.15Å; E107-H109 IonicContact OE1-NE2 3.57Å; E107-H109 PolarHBondContact OE1-NE2 2.89Å; E107-H109 IonicContact OE2-NE2 3.58Å; E107-H109 PolarHBondContact OE2-NE2 3.11Å; E107-T138 HydrophobicContact CG-CG2 4.02Å; E107-A139 PolarHBondContact O-N 3.13Å
108	L	98.5	Very high	85.2	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	115.5	165.8	175.3	64.9	0	0	0	109.3	F57 S58 F59 R60 I110 L131 A139 L141 L153 F156	F57-L108 HydrophobicContact CE2-CB 4.09Å; F57-L108 HydrophobicContact CZ-CB 3.86Å; S58-L108 PolarHBondContact O-N 3.31Å; F59-L108 HydrophobicContact CD1-CB 4.2Å; F59-L108 HydrophobicContact CD1-CD2 3.9Å; F59-L108 HydrophobicContact CD1-CG 4.43Å; F59-L108 HydrophobicContact CE1-CD2 3.79Å; R60-L108 PolarHBondContact N-O 3.14Å; L108-I110 HydrophobicContact CD2-CG1 4.26Å; L108-I110 HydrophobicContact CG-CG1 4.14Å; L108-L131 HydrophobicContact CD1-CD1 4.15Å; L108-A139 WeakPolarHBondContact CA-O 3.3Å; L108-A139 HydrophobicContact CB-CB 4.4Å; L108-A139 HydrophobicContact CD1-CB 3.54Å; L108-L141 HydrophobicContact CD1-CB 4.03Å; L108-L153 HydrophobicContact CD2-CD2 3.84Å; L108-F156 HydrophobicContact CB-CZ 4.25Å; L108-F156 HydrophobicContact CD1-CD2 4.29Å; L108-F156 HydrophobicContact CD1-CE2 4.23Å; L108-F156 HydrophobicContact CD2-CD1 3.84Å; L108-F156 HydrophobicContact CD2-CD2 4.16Å; L108-F156 HydrophobicContact CD2-CE1 3.93Å; L108-F156 HydrophobicContact CD2-CE2 4.24Å; L108-F156 HydrophobicContact CD2-CG 3.95Å; L108-F156 HydrophobicContact CD2-CZ 4.13Å
109	H	98.6	Very high	87.9	Confident	52 Å²	52	67.2 Å²	67.2	24%	0.241	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	122.7	171.9	-68.8	-99.8	0	0	0	110.3	R60 E107 A139 Y140 L141	R60-H109 CarbonylContact O-C 3.37Å; R60-H109 WeakPolarHBondContact O-CA 3.45Å; E107-H109 IonicContact OE1-CD2 3.3Å; E107-H109 IonicContact OE1-CE1 3.15Å; E107-H109 IonicContact OE1-NE2 3.57Å; E107-H109 PolarHBondContact OE1-NE2 2.89Å; E107-H109 IonicContact OE2-NE2 3.58Å; E107-H109 PolarHBondContact OE2-NE2 3.11Å; H109-A139 PolarHBondContact N-O 2.83Å; H109-Y140 HydrophobicContact CB-CD1 3.72Å; H109-Y140 HydrophobicContact CB-CE1 4.05Å; H109-Y140 AromaticContact CD2-CE1 3.97Å; H109-Y140 CarbonylContact O-C 3.51Å; H109-Y140 WeakPolarHBondContact O-CA 3.39Å; H109-L141 PolarHBondContact O-N 3.5Å
110	I	98.8	Very high	90.2	Very high	5 Å²	5	61.4 Å²	61.4	3%	0.026	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	118.9	179.4	-52.7	166.3	0	0	0	108.6	F59 R60 T61 L68 I72 L108 I112 L141 A149 L153	F59-I110 HydrophobicContact CD1-CD1 4.05Å; R60-I110 PolarHBondContact O-N 2.94Å; T61-I110 PolarHBondContact OG1-O 3.39Å; L68-I110 HydrophobicContact CD1-CD1 4.14Å; L68-I110 HydrophobicContact CD1-CG2 4.25Å; L68-I110 HydrophobicContact CD2-CG2 4.29Å; I72-I110 HydrophobicContact CD1-CD1 4.06Å; I72-I110 HydrophobicContact CG1-CD1 4.15Å; L108-I110 HydrophobicContact CD2-CG1 4.26Å; L108-I110 HydrophobicContact CG-CG1 4.14Å; I110-I112 HydrophobicContact CG2-CD1 4.22Å; I110-I112 HydrophobicContact CG2-CG1 4.33Å; I110-L141 CarbonylContact C-O 3.44Å; I110-L141 WeakPolarHBondContact CA-O 3.34Å; I110-L141 HydrophobicContact CG1-CD2 4.44Å; I110-L141 HydrophobicContact CG2-CD2 4.3Å; I110-A149 HydrophobicContact CG2-CB 4.3Å; I110-L153 HydrophobicContact CD1-CD1 4.46Å; I110-L153 HydrophobicContact CD1-CD2 3.86Å; I110-L153 HydrophobicContact CG1-CD2 4.49Å
111	I	98.5	Very high	92.5	Very high	72 Å²	72	56.3 Å²	56.3	37%	0.369	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	119.2	-174.2	-55.8	170.1	0	0	0	108.5	L141 Q142 A143	I111-L141 PolarHBondContact N-O 3.1Å; I111-Q142 HydrophobicContact CB-CB 4.45Å; I111-Q142 HydrophobicContact CB-CG 4.22Å; I111-Q142 HydrophobicContact CG2-CG 4.27Å; I111-Q142 CarbonylContact O-C 3.54Å; I111-Q142 VanDerWaalsContact O-CA 3.31Å; I111-Q142 WeakPolarHBondContact O-CA 3.24Å; I111-A143 PolarHBondContact O-N 3.17Å
112	I	98.4	Very high	94.3	Very high	19 Å²	19	52.2 Å²	52.2	10%	0.097	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129	-179.6	-62.6	161	0	0	0	108.7	F63 L68 I110 A143 I146 A149	F63-I112 HydrophobicContact CD1-CB 4.35Å; F63-I112 HydrophobicContact CD1-CD1 3.41Å; F63-I112 VanDerWaalsContact CD1-CD1 3.41Å; F63-I112 HydrophobicContact CD1-CG1 4.44Å; F63-I112 HydrophobicContact CD2-CB 4.16Å; F63-I112 HydrophobicContact CD2-CG2 4.45Å; F63-I112 HydrophobicContact CE1-CB 4.41Å; F63-I112 HydrophobicContact CE1-CD1 3.55Å; F63-I112 HydrophobicContact CE1-CG2 4.33Å; F63-I112 HydrophobicContact CE2-CB 4.3Å; F63-I112 HydrophobicContact CE2-CG2 4.09Å; F63-I112 HydrophobicContact CG-CB 4.17Å; F63-I112 HydrophobicContact CG-CD1 3.98Å; F63-I112 HydrophobicContact CZ-CB 4.37Å; F63-I112 HydrophobicContact CZ-CD1 4.29Å; F63-I112 HydrophobicContact CZ-CG2 3.97Å; L68-I112 HydrophobicContact CD2-CD1 4.13Å; I110-I112 HydrophobicContact CG2-CD1 4.22Å; I110-I112 HydrophobicContact CG2-CG1 4.33Å; I112-A143 WeakPolarHBondContact CA-O 3.34Å; I112-I146 HydrophobicContact CD1-CB 4.42Å; I112-I146 HydrophobicContact CD1-CD1 3.59Å; I112-A149 HydrophobicContact CD1-CB 3.74Å; I112-A149 HydrophobicContact CG1-CB 3.84Å
113	N	95.7	Very high	95.6	Very high	104 Å²	104	51.7 Å²	51.7	56%	0.556	29%	0.294	S	S	*	.	S	Bend	trans	-90.9	-2.6	-170	-60.5	-28.7	0	0	0	114.2	A143	N113-A143 PolarHBondContact N-O 2.8Å; N113-A143 VanDerWaalsContact N-O 3.14Å
114	A	95.4	Very high	95.9	Very high	27 Å²	27	55.3 Å²	55.3	22%	0.223	31%	0.306	C	S	.	.	S	Bend	trans	-124.7	152.1	-179.5	0	0	0	0	0	111.1	F63 S144 E145	F63-A114 WeakPolarHBondContact CE2-O 3.45Å; A114-S144 VanDerWaalsContact CB-O 3.26Å; A114-S144 WeakPolarHBondContact CB-O 3.32Å; A114-S144 PolarHBondContact N-O 3.32Å; A114-E145 HydrophobicContact CB-CG 3.95Å
115	P	95.9	Very high	96.1	Very high	117 Å²	117	53.5 Å²	53.5	76%	0.76	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-64.4	155.8	178.8	28	-35.7	0	0	0	112.6	P117	P115-P117 WeakPolarHBondContact O-CD 3.22Å
116	C	96.7	Very high	96.2	Very high	40 Å²	40	57.7 Å²	57.7	27%	0.27	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-60.3	123.3	175.2	-175.5	0	0	0	0	110.8	F63 C65	F63-C116 HydrophobicContact CE1-CB 4.26Å; F63-C116 HydrophobicContact CE2-CB 4.38Å; F63-C116 HydrophobicContact CZ-CB 3.77Å; C65-C116 WeakPolarHBondContact CA-SG 3.29Å; C65-C116 HydrophobicContact CB-CB 3.52Å; C65-C116 WeakPolarHBondContact CB-SG 3.23Å; C65-C116 WeakPolarHBondContact SG-CB 3.2Å; C65-C116 CovalentContact SG-SG 2.04Å; C65-C116 PolarHBondContact SG-SG 3.08Å
117	P	95.1	Very high	96.3	Very high	30 Å²	30	55.3 Å²	55.3	20%	0.195	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-73.6	137.5	179.9	28.9	-32.2	0	0	0	110.7	I67 P115 I146 W147	I67-P117 HydrophobicContact CD1-CG 4.06Å; P115-P117 WeakPolarHBondContact O-CD 3.22Å; P117-I146 HydrophobicContact CG-CG2 3.67Å; P117-W147 HydrophobicContact CB-CZ2 4.09Å; P117-W147 HydrophobicContact CG-CH2 3.77Å; P117-W147 HydrophobicContact CG-CZ2 3.37Å
118	K	89.6	Confident	96.3	Very high	211 Å²	211	55.9 Å²	55.9	92%	0.917	31%	0.31	S	S	*	.	S	Bend	trans	-85.8	-17.2	173.2	-64.4	-173.7	179.8	-178.7	0	113.1
119	S	91.8	Very high	96.3	Very high	76 Å²	76	56 Å²	56	53%	0.531	31%	0.31	S	S	.	.	S	Bend	trans	-98.6	173.9	-176.2	58.4	0	0	0	0	112	R266	S119-R266 WeakPolarHBondContact O-CD 3.22Å
120	N	94.4	Very high	96.4	Very high	34 Å²	34	55.8 Å²	55.8	18%	0.182	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-60.9	159	166.2	-68.1	-29.3	0	0	0	111	I262 T335	N120-I262 VanDerWaalsContact ND2-CG2 3.33Å; N120-I262 WeakPolarHBondContact ND2-CG2 3.28Å; N120-T335 PolarHBondContact ND2-OG1 2.78Å
121	P	96.8	Very high	96.4	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.013	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-59.8	130.9	177.9	-13.9	26.5	0	0	0	110	M125 W147 R271	P121-M125 HydrophobicContact CB-SD 3.58Å; P121-M125 VanDerWaalsContact CB-SD 3.58Å; P121-W147 HydrophobicContact CB-CD2 4.22Å; P121-W147 HydrophobicContact CB-CE3 4.37Å; P121-W147 HydrophobicContact CB-CH2 4Å; P121-W147 HydrophobicContact CB-CZ2 3.81Å; P121-W147 HydrophobicContact CB-CZ3 4.29Å; P121-W147 HydrophobicContact CG-CE3 4.21Å; P121-W147 HydrophobicContact CG-CH2 3.65Å; P121-W147 HydrophobicContact CG-CZ2 4.01Å; P121-W147 HydrophobicContact CG-CZ3 3.77Å; P121-R271 HydrophobicContact CB-CG 4.09Å; P121-R271 VanDerWaalsContact O-CG 3.26Å; P121-R271 WeakPolarHBondContact O-CG 3.43Å
122	P	96.2	Very high	96.4	Very high	51 Å²	51	54 Å²	54	33%	0.331	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-75.9	165	176.6	33.9	-38	0	0	0	111.3	D124 M125	P122-D124 WeakPolarHBondContact CB-OD1 3.43Å; P122-D124 PolarHBondContact O-N 2.85Å; P122-M125 HydrophobicContact CG-CB 4.01Å; P122-M125 WeakPolarHBondContact O-CB 3.45Å; P122-M125 WeakPolarHBondContact O-CG 3.5Å; P122-M125 PolarHBondContact O-N 3.2Å
123	S	94.9	Very high	96.4	Very high	38 Å²	38	53.2 Å²	53.2	27%	0.266	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-21.4	-179.1	58.8	0	0	0	0	114.4
124	D	95	Very high	96.5	Very high	126 Å²	126	51.7 Å²	51.7	67%	0.674	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	19.6	-179.7	62.7	-21.3	0	0	0	112.4	P122	P122-D124 WeakPolarHBondContact CB-OD1 3.43Å; P122-D124 PolarHBondContact O-N 2.85Å
125	M	97.2	Very high	96.4	Very high	16 Å²	16	54.9 Å²	54.9	8%	0.079	31%	0.312	C	S	.	.			trans	-54.4	142.1	-179.9	61.8	167	178.7	0	0	113.2	P121 P122 E127 W147 N219	P121-M125 HydrophobicContact CB-SD 3.58Å; P121-M125 VanDerWaalsContact CB-SD 3.58Å; P122-M125 HydrophobicContact CG-CB 4.01Å; P122-M125 WeakPolarHBondContact O-CB 3.45Å; P122-M125 WeakPolarHBondContact O-CG 3.5Å; P122-M125 PolarHBondContact O-N 3.2Å; M125-E127 HydrophobicContact CE-CG 3.87Å; M125-E127 WeakPolarHBondContact CE-OE1 3.45Å; M125-E127 WeakPolarHBondContact CE-OE2 3.23Å; M125-E127 HydrophobicContact CG-CG 4.04Å; M125-E127 PolarHBondContact O-N 3.4Å; M125-E127 HydrophobicContact SD-CG 4.07Å; M125-W147 VanDerWaalsContact CB-CD1 3.48Å; M125-W147 HydrophobicContact CB-CG 4.1Å; M125-W147 HydrophobicContact CG-CG 4.5Å; M125-W147 HydrophobicContact SD-CB 3.94Å; M125-W147 HydrophobicContact SD-CD2 4.15Å; M125-W147 HydrophobicContact SD-CG 3.75Å; M125-N219 HydrophobicContact CE-CB 3.36Å; M125-N219 WeakPolarHBondContact CE-ND2 3.34Å
126	M	98.1	Very high	96.3	Very high	87 Å²	87	54.4 Å²	54.4	43%	0.429	30%	0.303	S	S	.	.			trans	-88.4	108.5	179.8	-69.7	-171.2	-85.5	0	0	111.3	E145 G148	M126-E145 HydrophobicContact CB-CB 4.41Å; M126-E145 HydrophobicContact CB-CG 4.02Å; M126-E145 HydrophobicContact CE-CG 3.96Å; M126-E145 WeakPolarHBondContact CE-OE1 3.3Å; M126-E145 PolarHBondContact N-OE2 3.41Å; M126-G148 PolarHBondContact O-N 3.26Å
127	E	98.7	Very high	96.3	Very high	8 Å²	8	52.5 Å²	52.5	4%	0.037	29%	0.29	C	S	.	.			trans	-101	12.1	-178.1	-58.8	-172.7	89.7	0	0	113.7	M125 W147 R151 P185 R190 N219 W504	M125-E127 HydrophobicContact CE-CG 3.87Å; M125-E127 WeakPolarHBondContact CE-OE1 3.45Å; M125-E127 WeakPolarHBondContact CE-OE2 3.23Å; M125-E127 HydrophobicContact CG-CG 4.04Å; M125-E127 PolarHBondContact O-N 3.4Å; M125-E127 HydrophobicContact SD-CG 4.07Å; E127-W147 HydrophobicContact CG-CB 4.22Å; E127-R151 HydrophobicContact CB-CG 4.43Å; E127-R151 IonicContact OE1-CZ 2.74Å; E127-R151 VanDerWaalsContact OE1-CZ 3.22Å; E127-R151 IonicContact OE1-NE 3.5Å; E127-R151 PolarHBondContact OE1-NE 3.38Å; E127-R151 IonicContact OE1-NH2 3.79Å; E127-R151 PolarHBondContact OE1-NH2 3.15Å; E127-P185 HydrophobicContact CB-CG 3.97Å; E127-R190 IonicContact OE1-CZ 3.48Å; E127-R190 IonicContact OE1-NH2 2.8Å; E127-R190 PolarHBondContact OE1-NH2 2.79Å; E127-R190 IonicContact OE2-CZ 2.69Å; E127-R190 VanDerWaalsContact OE2-CZ 3.27Å; E127-R190 IonicContact OE2-NH1 3.96Å; E127-R190 PolarHBondContact OE2-NH1 3.43Å; E127-R190 IonicContact OE2-NH2 3.75Å; E127-R190 PolarHBondContact OE2-NH2 2.87Å; E127-N219 PolarHBondContact OE2-ND2 3.46Å; E127-W504 HydrophobicContact CB-CH2 4.4Å
128	N	98.7	Very high	96.4	Very high	58 Å²	58	52 Å²	52	31%	0.31	29%	0.287	S	S	.	.			trans	-77.1	143.3	178.8	69.6	-71.9	0	0	0	111.8	S144 D183 R184	N128-S144 PolarHBondContact ND2-OG 2.91Å; N128-S144 WeakPolarHBondContact OD1-CB 3.32Å; N128-S144 PolarHBondContact OD1-OG 3.36Å; N128-S144 VanDerWaalsContact OD1-OG 3.05Å; N128-D183 WeakPolarHBondContact CA-O 3.07Å; N128-R184 HydrophobicContact CB-CB 4.02Å
129	Y	98.9	Very high	96.8	Very high	2 Å²	2	42 Å²	42	1%	0.008	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	160.8	175	68.9	-85.3	0	0	0	111.9	L131 L141 Q142 G148 R151 G152 T155 I181 D183 W504	Y129-L131 HydrophobicContact CD2-CB 4.2Å; Y129-L131 HydrophobicContact CE2-CB 4.14Å; Y129-L141 HydrophobicContact CD2-CD1 3.78Å; Y129-L141 HydrophobicContact CG-CD1 4.2Å; Y129-Q142 CarbonylContact C-O 3.22Å; Y129-Q142 WeakPolarHBondContact CA-O 3.27Å; Y129-Q142 WeakPolarHBondContact CB-O 3.39Å; Y129-G148 WeakPolarHBondContact CB-O 3.27Å; Y129-G148 WeakPolarHBondContact CD1-O 3.29Å; Y129-R151 HydrophobicContact CD1-CB 3.93Å; Y129-R151 HydrophobicContact CE1-CB 3.71Å; Y129-G152 VanDerWaalsContact CD2-CA 3.46Å; Y129-T155 WeakPolarHBondContact OH-CB 3.22Å; Y129-T155 PolarHBondContact OH-OG1 2.94Å; Y129-I181 HydrophobicContact CE2-CG2 4.1Å; Y129-D183 HydrophobicContact CD1-CB 4.22Å; Y129-D183 HydrophobicContact CE1-CB 3.55Å; Y129-D183 WeakPolarHBondContact CE1-OD2 3.44Å; Y129-D183 HydrophobicContact CE2-CB 4.01Å; Y129-D183 VanDerWaalsContact CZ-CB 3.41Å; Y129-D183 VanDerWaalsContact CZ-OD2 3.29Å; Y129-D183 PolarHBondContact N-O 2.82Å; Y129-D183 PolarHBondContact O-N 3.18Å; Y129-D183 WeakPolarHBondContact OH-CB 3.47Å; Y129-D183 PolarHBondContact OH-OD2 2.82Å; Y129-W504 HydrophobicContact CE1-CZ2 4.01Å
130	T	98.9	Very high	97.1	Very high	49 Å²	49	42.6 Å²	42.6	30%	0.301	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	138.8	164.6	60	0	0	0	0	108.9	L141 Q142 I181 T182	T130-L141 WeakPolarHBondContact O-CA 3.43Å; T130-Q142 PolarHBondContact N-O 3.3Å; T130-Q142 PolarHBondContact O-N 3.04Å; T130-I181 CarbonylContact C-O 3.31Å; T130-I181 VanDerWaalsContact CA-O 3.27Å; T130-I181 WeakPolarHBondContact CA-O 3.48Å; T130-T182 HydrophobicContact CG2-CG2 4.25Å
131	L	98.9	Very high	97.3	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	121.6	177.2	175.7	67.6	0	0	0	109.2	L108 Y129 Y140 L141 T155 F156 L159 I181	L108-L131 HydrophobicContact CD1-CD1 4.15Å; Y129-L131 HydrophobicContact CD2-CB 4.2Å; Y129-L131 HydrophobicContact CE2-CB 4.14Å; L131-Y140 CarbonylContact C-O 3.59Å; L131-Y140 WeakPolarHBondContact CA-O 3.32Å; L131-L141 HydrophobicContact CB-CD1 4.47Å; L131-L141 HydrophobicContact CD1-CB 4.06Å; L131-T155 HydrophobicContact CD2-CG2 4.15Å; L131-F156 HydrophobicContact CD1-CB 4.25Å; L131-F156 HydrophobicContact CD1-CD2 4.04Å; L131-F156 HydrophobicContact CD2-CB 3.74Å; L131-F156 HydrophobicContact CD2-CD2 4.37Å; L131-L159 HydrophobicContact CD2-CD1 3.94Å; L131-I181 HydrophobicContact CB-CB 4.23Å; L131-I181 HydrophobicContact CD2-CD1 4.36Å; L131-I181 PolarHBondContact N-O 3.5Å; L131-I181 PolarHBondContact O-N 3.25Å
132	V	98.8	Very high	97.4	Very high	39 Å²	39	44.9 Å²	44.9	24%	0.236	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120.2	177.5	-178.6	0	0	0	0	108.6	E134 A139 Y140 A179 K180	V132-E134 HydrophobicContact CG1-CG 3.67Å; V132-A139 CarbonylContact O-C 3.44Å; V132-A139 WeakPolarHBondContact O-CA 3.18Å; V132-A139 WeakPolarHBondContact O-CB 3.32Å; V132-Y140 PolarHBondContact N-O 2.87Å; V132-Y140 PolarHBondContact O-N 3.24Å; V132-A179 CarbonylContact C-O 3.49Å; V132-A179 WeakPolarHBondContact CA-O 3.18Å; V132-K180 HydrophobicContact CG1-CG 4.23Å
133	V	98.5	Very high	97.6	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	102.9	170.8	-177.2	0	0	0	0	106.7	L50 L105 A139 F156 L159 T178 A179	L50-V133 HydrophobicContact CD1-CG1 4.41Å; L105-V133 HydrophobicContact CD1-CG1 4.09Å; V133-A139 HydrophobicContact CB-CB 4.39Å; V133-A139 HydrophobicContact CG1-CB 4.43Å; V133-A139 HydrophobicContact CG2-CB 4.04Å; V133-F156 HydrophobicContact CG2-CD2 4.1Å; V133-F156 HydrophobicContact CG2-CE2 4.14Å; V133-L159 HydrophobicContact CG2-CD1 4.12Å; V133-T178 WeakPolarHBondContact O-CA 3.19Å; V133-T178 VanDerWaalsContact O-CB 3.23Å; V133-T178 WeakPolarHBondContact O-CB 3.15Å; V133-A179 PolarHBondContact N-O 3.28Å; V133-A179 PolarHBondContact O-N 3.45Å; V133-A179 VanDerWaalsContact O-N 3.13Å
134	E	97.3	Very high	97.7	Very high	71 Å²	71	42.3 Å²	42.3	33%	0.332	23%	0.227	S	C	.	.			trans	-84.7	149.3	-173.6	-60.8	-166.7	134.1	0	0	111.8	L50 V132 N136 G137 T138	L50-E134 WeakPolarHBondContact CD1-O 3.02Å; V132-E134 HydrophobicContact CG1-CG 3.67Å; E134-N136 VanDerWaalsContact CB-OD1 3.22Å; E134-N136 WeakPolarHBondContact CB-OD1 3Å; E134-N136 PolarHBondContact O-N 2.83Å; E134-N136 VanDerWaalsContact O-N 3.1Å; E134-N136 PolarHBondContact OE2-ND2 3.05Å; E134-N136 PolarHBondContact OE2-OD1 2.83Å; E134-G137 PolarHBondContact O-N 3.48Å; E134-T138 WeakPolarHBondContact CB-O 3.32Å; E134-T138 PolarHBondContact N-O 3.42Å
135	S	95	Very high	97.8	Very high	94 Å²	94	38.3 Å²	38.3	66%	0.657	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-9.6	178.1	59.2	0	0	0	0	114.5	G137	S135-G137 VanDerWaalsContact C-N 3.28Å
136	N	94	Very high	97.9	Very high	107 Å²	107	37.7 Å²	37.7	57%	0.572	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-5.9	176.7	65.3	8.4	0	0	0	113.3	E134 T138	E134-N136 VanDerWaalsContact CB-OD1 3.22Å; E134-N136 WeakPolarHBondContact CB-OD1 3Å; E134-N136 PolarHBondContact O-N 2.83Å; E134-N136 VanDerWaalsContact O-N 3.1Å; E134-N136 PolarHBondContact OE2-ND2 3.05Å; E134-N136 PolarHBondContact OE2-OD1 2.83Å; N136-T138 PolarHBondContact OD1-N 3.07Å
137	G	95.1	Very high	97.9	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.01	18%	0.182	C	C	.	.	S	Bend	trans	98.6	5.4	-179.6	0	0	0	0	0	115.7	Y104 L105 T106 E134 S135	Y104-G137 WeakPolarHBondContact O-CA 3.25Å; L105-G137 WeakPolarHBondContact CD1-O 3.02Å; T106-G137 PolarHBondContact N-O 2.75Å; T106-G137 PolarHBondContact OG1-O 3.27Å; T106-G137 VanDerWaalsContact OG1-O 3.09Å; E134-G137 PolarHBondContact O-N 3.48Å; S135-G137 VanDerWaalsContact C-N 3.28Å
138	T	97.3	Very high	97.9	Very high	19 Å²	19	33.4 Å²	33.4	12%	0.117	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	141.8	175.6	-57.8	0	0	0	0	110.9	E107 E134 N136 Y140	E107-T138 HydrophobicContact CG-CG2 4.02Å; E134-T138 WeakPolarHBondContact CB-O 3.32Å; E134-T138 PolarHBondContact N-O 3.42Å; N136-T138 PolarHBondContact OD1-N 3.07Å; T138-Y140 HydrophobicContact CG2-CD2 4.29Å; T138-Y140 HydrophobicContact CG2-CE1 4.19Å; T138-Y140 HydrophobicContact CG2-CE2 3.54Å; T138-Y140 VanDerWaalsContact CG2-CZ 3.48Å; T138-Y140 WeakPolarHBondContact CG2-OH 3.16Å
139	A	98.6	Very high	97.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	152	171.1	0	0	0	0	0	112	L105 E107 L108 H109 V132 V133 F156	L105-A139 HydrophobicContact CD1-CB 3.87Å; E107-A139 PolarHBondContact O-N 3.13Å; L108-A139 WeakPolarHBondContact CA-O 3.3Å; L108-A139 HydrophobicContact CB-CB 4.4Å; L108-A139 HydrophobicContact CD1-CB 3.54Å; H109-A139 PolarHBondContact N-O 2.83Å; V132-A139 CarbonylContact O-C 3.44Å; V132-A139 WeakPolarHBondContact O-CA 3.18Å; V132-A139 WeakPolarHBondContact O-CB 3.32Å; V133-A139 HydrophobicContact CB-CB 4.39Å; V133-A139 HydrophobicContact CG1-CB 4.43Å; V133-A139 HydrophobicContact CG2-CB 4.04Å; A139-F156 HydrophobicContact CB-CE2 4.11Å
140	Y	98.8	Very high	97.9	Very high	90 Å²	90	30.9 Å²	30.9	35%	0.353	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	124.7	179.9	-60.8	-85.5	0	0	0	110.1	H109 L131 V132 T138	H109-Y140 HydrophobicContact CB-CD1 3.72Å; H109-Y140 HydrophobicContact CB-CE1 4.05Å; H109-Y140 AromaticContact CD2-CE1 3.97Å; H109-Y140 CarbonylContact O-C 3.51Å; H109-Y140 WeakPolarHBondContact O-CA 3.39Å; L131-Y140 CarbonylContact C-O 3.59Å; L131-Y140 WeakPolarHBondContact CA-O 3.32Å; V132-Y140 PolarHBondContact N-O 2.87Å; V132-Y140 PolarHBondContact O-N 3.24Å; T138-Y140 HydrophobicContact CG2-CD2 4.29Å; T138-Y140 HydrophobicContact CG2-CE1 4.19Å; T138-Y140 HydrophobicContact CG2-CE2 3.54Å; T138-Y140 VanDerWaalsContact CG2-CZ 3.48Å; T138-Y140 WeakPolarHBondContact CG2-OH 3.16Å
141	L	98.9	Very high	97.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	115.3	169.3	170.1	59.2	0	0	0	108.3	L108 H109 I110 I111 Y129 T130 L131 A149 L153	L108-L141 HydrophobicContact CD1-CB 4.03Å; H109-L141 PolarHBondContact O-N 3.5Å; I110-L141 CarbonylContact C-O 3.44Å; I110-L141 WeakPolarHBondContact CA-O 3.34Å; I110-L141 HydrophobicContact CG1-CD2 4.44Å; I110-L141 HydrophobicContact CG2-CD2 4.3Å; I111-L141 PolarHBondContact N-O 3.1Å; Y129-L141 HydrophobicContact CD2-CD1 3.78Å; Y129-L141 HydrophobicContact CG-CD1 4.2Å; T130-L141 WeakPolarHBondContact O-CA 3.43Å; L131-L141 HydrophobicContact CB-CD1 4.47Å; L131-L141 HydrophobicContact CD1-CB 4.06Å; L141-A149 HydrophobicContact CD2-CB 4.4Å; L141-A149 WeakPolarHBondContact CD2-O 3.4Å; L141-L153 HydrophobicContact CD2-CB 4.49Å; L141-L153 HydrophobicContact CD2-CD2 3.96Å; L141-L153 HydrophobicContact CD2-CG 3.7Å
142	Q	98.8	Very high	97.9	Very high	83 Å²	83	28.7 Å²	28.7	39%	0.388	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	133.4	176.9	-171.3	175.3	6.4	0	0	110.8	I111 Y129 T130	I111-Q142 HydrophobicContact CB-CB 4.45Å; I111-Q142 HydrophobicContact CB-CG 4.22Å; I111-Q142 HydrophobicContact CG2-CG 4.27Å; I111-Q142 CarbonylContact O-C 3.54Å; I111-Q142 VanDerWaalsContact O-CA 3.31Å; I111-Q142 WeakPolarHBondContact O-CA 3.24Å; Y129-Q142 CarbonylContact C-O 3.22Å; Y129-Q142 WeakPolarHBondContact CA-O 3.27Å; Y129-Q142 WeakPolarHBondContact CB-O 3.39Å; T130-Q142 PolarHBondContact N-O 3.3Å; T130-Q142 PolarHBondContact O-N 3.04Å
143	A	98.7	Very high	97.9	Very high	3 Å²	3	26.9 Å²	26.9	3%	0.025	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	151.9	177.9	0	0	0	0	0	112	I111 I112 N113 E145 A149	I111-A143 PolarHBondContact O-N 3.17Å; I112-A143 WeakPolarHBondContact CA-O 3.34Å; N113-A143 PolarHBondContact N-O 2.8Å; N113-A143 VanDerWaalsContact N-O 3.14Å; A143-E145 VanDerWaalsContact CB-O 3.32Å; A143-E145 WeakPolarHBondContact CB-O 3.3Å; A143-A149 HydrophobicContact CB-CB 3.98Å; A143-A149 VanDerWaalsContact CB-N 3.28Å
144	S	97.6	Very high	97.9	Very high	32 Å²	32	26.7 Å²	26.7	22%	0.224	14%	0.141	C	C	.	.	S	Bend	trans	-65	-44.5	174.7	-61.4	0	0	0	0	111.2	A114 N128	A114-S144 VanDerWaalsContact CB-O 3.26Å; A114-S144 WeakPolarHBondContact CB-O 3.32Å; A114-S144 PolarHBondContact N-O 3.32Å; N128-S144 PolarHBondContact ND2-OG 2.91Å; N128-S144 WeakPolarHBondContact OD1-CB 3.32Å; N128-S144 PolarHBondContact OD1-OG 3.36Å; N128-S144 VanDerWaalsContact OD1-OG 3.05Å
145	E	97.9	Very high	98	Very high	43 Å²	43	23.3 Å²	23.3	20%	0.201	13%	0.125	C	C	.	.	S	Bend	trans	-131.5	167	179.1	-65.6	179.4	173.3	0	0	110.5	A114 M126 A143 W147 G148 A149	A114-E145 HydrophobicContact CB-CG 3.95Å; M126-E145 HydrophobicContact CB-CB 4.41Å; M126-E145 HydrophobicContact CB-CG 4.02Å; M126-E145 HydrophobicContact CE-CG 3.96Å; M126-E145 WeakPolarHBondContact CE-OE1 3.3Å; M126-E145 PolarHBondContact N-OE2 3.41Å; A143-E145 VanDerWaalsContact CB-O 3.32Å; A143-E145 WeakPolarHBondContact CB-O 3.3Å; E145-W147 PolarHBondContact O-N 2.88Å; E145-W147 VanDerWaalsContact O-N 3.13Å; E145-W147 PolarHBondContact OE2-NE1 3.02Å; E145-G148 PolarHBondContact O-N 3.16Å; E145-A149 PolarHBondContact O-N 3.22Å
146	I	98.4	Very high	98.1	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.015	9%	0.094	C	C	.	.	H	α-helix	trans	-55	-31.1	177.4	-179.1	56.6	0	0	0	112.6	F63 I67 L68 I112 P117 A149 L150	F63-I146 HydrophobicContact CE1-CB 4.29Å; F63-I146 HydrophobicContact CE1-CD1 4.11Å; F63-I146 HydrophobicContact CE1-CG1 4.46Å; I67-I146 HydrophobicContact CB-CG1 4Å; I67-I146 HydrophobicContact CD1-CG1 4.48Å; I67-I146 HydrophobicContact CD1-CG2 4.29Å; I67-I146 HydrophobicContact CG2-CD1 4.19Å; I67-I146 HydrophobicContact CG2-CG1 3.61Å; L68-I146 HydrophobicContact CB-CD1 3.77Å; L68-I146 HydrophobicContact CD1-CD1 4.08Å; L68-I146 HydrophobicContact CG-CD1 4.41Å; I112-I146 HydrophobicContact CD1-CB 4.42Å; I112-I146 HydrophobicContact CD1-CD1 3.59Å; P117-I146 HydrophobicContact CG-CG2 3.67Å; I146-A149 HydrophobicContact CD1-CB 4.38Å; I146-A149 WeakPolarHBondContact O-CB 3.39Å; I146-A149 PolarHBondContact O-N 2.95Å; I146-A149 VanDerWaalsContact O-N 3.14Å; I146-L150 PolarHBondContact O-N 3.25Å
147	W	98.5	Very high	98.3	Very high	4 Å²	4	14.2 Å²	14.2	2%	0.015	7%	0.07	C	C	.	.	H	α-helix	trans	-63.5	-46.3	-178.4	-41.4	116.4	0	0	0	111.7	I67 P117 P121 M125 E127 E145 A149 L150 R151 R266 G269	I67-W147 HydrophobicContact CD1-CH2 3.65Å; I67-W147 HydrophobicContact CD1-CZ3 3.73Å; P117-W147 HydrophobicContact CB-CZ2 4.09Å; P117-W147 HydrophobicContact CG-CH2 3.77Å; P117-W147 HydrophobicContact CG-CZ2 3.37Å; P121-W147 HydrophobicContact CB-CD2 4.22Å; P121-W147 HydrophobicContact CB-CE3 4.37Å; P121-W147 HydrophobicContact CB-CH2 4Å; P121-W147 HydrophobicContact CB-CZ2 3.81Å; P121-W147 HydrophobicContact CB-CZ3 4.29Å; P121-W147 HydrophobicContact CG-CE3 4.21Å; P121-W147 HydrophobicContact CG-CH2 3.65Å; P121-W147 HydrophobicContact CG-CZ2 4.01Å; P121-W147 HydrophobicContact CG-CZ3 3.77Å; M125-W147 VanDerWaalsContact CB-CD1 3.48Å; M125-W147 HydrophobicContact CB-CG 4.1Å; M125-W147 HydrophobicContact CG-CG 4.5Å; M125-W147 HydrophobicContact SD-CB 3.94Å; M125-W147 HydrophobicContact SD-CD2 4.15Å; M125-W147 HydrophobicContact SD-CG 3.75Å; E127-W147 HydrophobicContact CG-CB 4.22Å; E145-W147 PolarHBondContact O-N 2.88Å; E145-W147 VanDerWaalsContact O-N 3.13Å; E145-W147 PolarHBondContact OE2-NE1 3.02Å; W147-A149 VanDerWaalsContact C-N 3.28Å; W147-A149 PolarHBondContact O-N 3.33Å; W147-L150 HydrophobicContact CE3-CD1 4.15Å; W147-L150 WeakPolarHBondContact O-CB 3.42Å; W147-L150 PolarHBondContact O-N 3.18Å; W147-R151 WeakPolarHBondContact O-CG 3.26Å; W147-R151 PolarHBondContact O-N 2.94Å; W147-R266 HydrophobicContact CH2-CG 4.43Å; W147-G269 VanDerWaalsContact CE3-CA 3.5Å
148	G	98.7	Very high	98.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-59.9	-37.7	172.7	0	0	0	0	0	112.7	M126 Y129 E145 L150 R151 G152	M126-G148 PolarHBondContact O-N 3.26Å; Y129-G148 WeakPolarHBondContact CB-O 3.27Å; Y129-G148 WeakPolarHBondContact CD1-O 3.29Å; E145-G148 PolarHBondContact O-N 3.16Å; G148-L150 PolarHBondContact O-N 3.38Å; G148-R151 PolarHBondContact O-N 3.31Å; G148-G152 PolarHBondContact O-N 2.94Å
149	A	98.7	Very high	98.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-65.1	-38.6	175.8	0	0	0	0	0	112.4	I110 I112 L141 A143 E145 I146 W147 R151 G152 L153	I110-A149 HydrophobicContact CG2-CB 4.3Å; I112-A149 HydrophobicContact CD1-CB 3.74Å; I112-A149 HydrophobicContact CG1-CB 3.84Å; L141-A149 HydrophobicContact CD2-CB 4.4Å; L141-A149 WeakPolarHBondContact CD2-O 3.4Å; A143-A149 HydrophobicContact CB-CB 3.98Å; A143-A149 VanDerWaalsContact CB-N 3.28Å; E145-A149 PolarHBondContact O-N 3.22Å; I146-A149 HydrophobicContact CD1-CB 4.38Å; I146-A149 WeakPolarHBondContact O-CB 3.39Å; I146-A149 PolarHBondContact O-N 2.95Å; I146-A149 VanDerWaalsContact O-N 3.14Å; W147-A149 VanDerWaalsContact C-N 3.28Å; W147-A149 PolarHBondContact O-N 3.33Å; A149-R151 VanDerWaalsContact C-N 3.3Å; A149-R151 PolarHBondContact O-N 3.42Å; A149-G152 PolarHBondContact O-N 3.11Å; A149-L153 WeakPolarHBondContact O-CB 3.36Å; A149-L153 WeakPolarHBondContact O-CG 3.21Å; A149-L153 PolarHBondContact O-N 3.09Å
150	L	98.7	Very high	98.3	Very high	7 Å²	7	13.8 Å²	13.8	4%	0.037	7%	0.066	C	C	.	.	H	α-helix	trans	-58.9	-41.8	172.7	-67.7	178.4	0	0	0	111.9	I67 A71 I146 W147 G148 E154	I67-L150 HydrophobicContact CG2-CD1 3.76Å; I67-L150 HydrophobicContact CG2-CD2 3.93Å; I67-L150 HydrophobicContact CG2-CG 4.13Å; A71-L150 HydrophobicContact CB-CD2 3.5Å; A71-L150 VanDerWaalsContact CB-CD2 3.5Å; I146-L150 PolarHBondContact O-N 3.25Å; W147-L150 HydrophobicContact CE3-CD1 4.15Å; W147-L150 WeakPolarHBondContact O-CB 3.42Å; W147-L150 PolarHBondContact O-N 3.18Å; G148-L150 PolarHBondContact O-N 3.38Å; L150-E154 PolarHBondContact O-N 2.92Å
151	R	98.8	Very high	97.9	Very high	4 Å²	4	10.8 Å²	10.8	2%	0.015	6%	0.056	C	C	.	.	H	α-helix	trans	-67	-41.4	178.3	-49.9	-50.2	174.3	-121.7	-1.1	111.6	E127 Y129 W147 G148 A149 E154 T155 K217 W268 G269 W504	E127-R151 HydrophobicContact CB-CG 4.43Å; E127-R151 IonicContact OE1-CZ 2.74Å; E127-R151 VanDerWaalsContact OE1-CZ 3.22Å; E127-R151 IonicContact OE1-NE 3.5Å; E127-R151 PolarHBondContact OE1-NE 3.38Å; E127-R151 IonicContact OE1-NH2 3.79Å; E127-R151 PolarHBondContact OE1-NH2 3.15Å; Y129-R151 HydrophobicContact CD1-CB 3.93Å; Y129-R151 HydrophobicContact CE1-CB 3.71Å; W147-R151 WeakPolarHBondContact O-CG 3.26Å; W147-R151 PolarHBondContact O-N 2.94Å; G148-R151 PolarHBondContact O-N 3.31Å; A149-R151 VanDerWaalsContact C-N 3.3Å; A149-R151 PolarHBondContact O-N 3.42Å; R151-E154 PolarHBondContact O-N 3.29Å; R151-T155 PolarHBondContact O-N 3.11Å; R151-T155 PolarHBondContact O-OG1 2.99Å; R151-K217 HydrophobicContact CB-CD 4.21Å; R151-K217 WeakPolarHBondContact O-CE 3.14Å; R151-W268 PolarHBondContact NH1-O 3.48Å; R151-G269 PolarHBondContact NH2-O 3.04Å; R151-W504 HydrophobicContact CB-CH2 3.8Å; R151-W504 HydrophobicContact CB-CZ2 4.39Å; R151-W504 HydrophobicContact CG-CH2 3.62Å; R151-W504 HydrophobicContact CG-CZ3 3.99Å
152	G	98.8	Very high	97.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-69.7	-33.2	178	0	0	0	0	0	113.7	Y129 G148 A149 T155 F156	Y129-G152 VanDerWaalsContact CD2-CA 3.46Å; G148-G152 PolarHBondContact O-N 2.94Å; A149-G152 PolarHBondContact O-N 3.11Å; G152-T155 PolarHBondContact O-N 3.21Å; G152-F156 WeakPolarHBondContact O-CB 3.44Å; G152-F156 PolarHBondContact O-N 2.92Å
153	L	98.7	Very high	96.3	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-65	-40.7	171.6	-76.1	171.4	0	0	0	111.9	F59 L68 A71 Y75 L108 I110 L141 A149 F156 S157	F59-L153 HydrophobicContact CD1-CD2 4.47Å; F59-L153 HydrophobicContact CE1-CD2 3.99Å; L68-L153 HydrophobicContact CD1-CD1 3.94Å; A71-L153 HydrophobicContact CB-CD1 3.89Å; Y75-L153 HydrophobicContact CD2-CB 3.66Å; Y75-L153 HydrophobicContact CD2-CD1 4.14Å; Y75-L153 HydrophobicContact CD2-CG 4.33Å; Y75-L153 HydrophobicContact CE2-CB 3.38Å; Y75-L153 HydrophobicContact CE2-CD1 4.23Å; Y75-L153 HydrophobicContact CE2-CG 4.38Å; Y75-L153 HydrophobicContact CG-CB 4.47Å; L108-L153 HydrophobicContact CD2-CD2 3.84Å; I110-L153 HydrophobicContact CD1-CD1 4.46Å; I110-L153 HydrophobicContact CD1-CD2 3.86Å; I110-L153 HydrophobicContact CG1-CD2 4.49Å; L141-L153 HydrophobicContact CD2-CB 4.49Å; L141-L153 HydrophobicContact CD2-CD2 3.96Å; L141-L153 HydrophobicContact CD2-CG 3.7Å; A149-L153 WeakPolarHBondContact O-CB 3.36Å; A149-L153 WeakPolarHBondContact O-CG 3.21Å; A149-L153 PolarHBondContact O-N 3.09Å; L153-F156 PolarHBondContact O-N 3.25Å; L153-S157 PolarHBondContact O-N 3.36Å
154	E	98.8	Very high	95	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-58.8	-54.9	172.2	178.5	53	-150.5	0	0	109.2	Y75 L150 R151 F156 S157 Q158 Q215 R529	Y75-E154 HydrophobicContact CE1-CB 4.49Å; Y75-E154 WeakPolarHBondContact CE1-OE2 3.34Å; Y75-E154 WeakPolarHBondContact OH-CA 3.47Å; Y75-E154 VanDerWaalsContact OH-CB 3.22Å; Y75-E154 WeakPolarHBondContact OH-CB 3.33Å; Y75-E154 PolarHBondContact OH-N 2.85Å; Y75-E154 PolarHBondContact OH-OE2 3.27Å; L150-E154 PolarHBondContact O-N 2.92Å; R151-E154 PolarHBondContact O-N 3.29Å; E154-F156 VanDerWaalsContact C-N 3.3Å; E154-F156 PolarHBondContact O-N 3.44Å; E154-S157 WeakPolarHBondContact O-CB 3.41Å; E154-S157 PolarHBondContact O-N 3.14Å; E154-S157 PolarHBondContact O-OG 3.16Å; E154-Q158 HydrophobicContact CG-CG 4.44Å; E154-Q158 VanDerWaalsContact O-CG 3.28Å; E154-Q158 WeakPolarHBondContact O-CG 3.24Å; E154-Q158 PolarHBondContact O-N 3.42Å; E154-Q158 VanDerWaalsContact O-N 3.11Å; E154-Q158 WeakPolarHBondContact OE1-CG 3.29Å; E154-Q158 PolarHBondContact OE1-NE2 3.41Å; E154-Q215 WeakPolarHBondContact CG-O 3.42Å; E154-R529 IonicContact OE1-CZ 3.6Å; E154-R529 IonicContact OE1-NH1 2.8Å; E154-R529 PolarHBondContact OE1-NH1 2.87Å; E154-R529 IonicContact OE1-NH2 3.53Å; E154-R529 PolarHBondContact OE1-NH2 3.49Å; E154-R529 IonicContact OE2-CZ 2.69Å; E154-R529 IonicContact OE2-NH1 3.71Å; E154-R529 PolarHBondContact OE2-NH1 3.13Å; E154-R529 IonicContact OE2-NH2 3.53Å; E154-R529 PolarHBondContact OE2-NH2 2.97Å
155	T	98.8	Very high	93.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-54.5	-43.9	178.7	-61.8	0	0	0	0	112.5	P37 P41 Y129 L131 R151 G152 S157 Q158 L159 I181 K217	P37-T155 HydrophobicContact CB-CG2 4.23Å; P41-T155 HydrophobicContact CG-CG2 4.38Å; Y129-T155 WeakPolarHBondContact OH-CB 3.22Å; Y129-T155 PolarHBondContact OH-OG1 2.94Å; L131-T155 HydrophobicContact CD2-CG2 4.15Å; R151-T155 PolarHBondContact O-N 3.11Å; R151-T155 PolarHBondContact O-OG1 2.99Å; G152-T155 PolarHBondContact O-N 3.21Å; T155-S157 VanDerWaalsContact C-N 3.34Å; T155-S157 PolarHBondContact O-N 3.24Å; T155-Q158 WeakPolarHBondContact O-CB 3.13Å; T155-Q158 PolarHBondContact O-N 2.96Å; T155-Q158 VanDerWaalsContact O-N 3.09Å; T155-L159 PolarHBondContact O-N 2.97Å; T155-I181 HydrophobicContact CG2-CD1 3.69Å; T155-K217 VanDerWaalsContact OG1-CE 3.28Å; T155-K217 WeakPolarHBondContact OG1-CE 3.36Å; T155-K217 PolarHBondContact OG1-NZ 3.11Å
156	F	98.6	Very high	91.3	Very high	1 Å²	1	19 Å²	19	0%	0.004	9%	0.086	C	C	.	.	H	α-helix	trans	-58.2	-45.4	176	174.7	-98.9	0	0	0	112	F57 M79 L105 L108 L131 V133 A139 G152 L153 E154 Q158 L159 I176	F57-F156 HydrophobicContact CE2-CE1 4.42Å; F57-F156 AromaticContact CE2-CZ 3.9Å; F57-F156 HydrophobicContact CE2-CZ 3.9Å; F57-F156 AromaticContact CZ-CE1 3.85Å; F57-F156 HydrophobicContact CZ-CE1 3.85Å; F57-F156 AromaticContact CZ-CZ 3.77Å; F57-F156 HydrophobicContact CZ-CZ 3.77Å; M79-F156 HydrophobicContact CE-CD1 4.46Å; M79-F156 HydrophobicContact CE-CE1 3.59Å; M79-F156 HydrophobicContact CE-CZ 4.33Å; M79-F156 HydrophobicContact SD-CD1 4.41Å; M79-F156 HydrophobicContact SD-CE1 4.01Å; L105-F156 HydrophobicContact CD2-CE2 3.77Å; L105-F156 HydrophobicContact CD2-CZ 3.56Å; L108-F156 HydrophobicContact CB-CZ 4.25Å; L108-F156 HydrophobicContact CD1-CD2 4.29Å; L108-F156 HydrophobicContact CD1-CE2 4.23Å; L108-F156 HydrophobicContact CD2-CD1 3.84Å; L108-F156 HydrophobicContact CD2-CD2 4.16Å; L108-F156 HydrophobicContact CD2-CE1 3.93Å; L108-F156 HydrophobicContact CD2-CE2 4.24Å; L108-F156 HydrophobicContact CD2-CG 3.95Å; L108-F156 HydrophobicContact CD2-CZ 4.13Å; L131-F156 HydrophobicContact CD1-CB 4.25Å; L131-F156 HydrophobicContact CD1-CD2 4.04Å; L131-F156 HydrophobicContact CD2-CB 3.74Å; L131-F156 HydrophobicContact CD2-CD2 4.37Å; V133-F156 HydrophobicContact CG2-CD2 4.1Å; V133-F156 HydrophobicContact CG2-CE2 4.14Å; A139-F156 HydrophobicContact CB-CE2 4.11Å; G152-F156 WeakPolarHBondContact O-CB 3.44Å; G152-F156 PolarHBondContact O-N 2.92Å; L153-F156 PolarHBondContact O-N 3.25Å; E154-F156 VanDerWaalsContact C-N 3.3Å; E154-F156 PolarHBondContact O-N 3.44Å; F156-Q158 PolarHBondContact O-N 3.34Å; F156-L159 PolarHBondContact O-N 3.22Å; F156-L159 VanDerWaalsContact O-N 3.16Å; F156-I176 HydrophobicContact CD2-CD1 3.88Å; F156-I176 HydrophobicContact CE1-CD1 4.31Å; F156-I176 HydrophobicContact CE2-CD1 3.38Å; F156-I176 HydrophobicContact CZ-CD1 3.63Å
157	S	97.5	Very high	89.1	Confident	9 Å²	9	21.3 Å²	21.3	6%	0.063	11%	0.106	C	C	.	.	H	α-helix	trans	-64.4	-25.6	177.7	81.3	0	0	0	0	113.2	L153 E154 T155 R529	L153-S157 PolarHBondContact O-N 3.36Å; E154-S157 WeakPolarHBondContact O-CB 3.41Å; E154-S157 PolarHBondContact O-N 3.14Å; E154-S157 PolarHBondContact O-OG 3.16Å; T155-S157 VanDerWaalsContact C-N 3.34Å; T155-S157 PolarHBondContact O-N 3.24Å; S157-R529 PolarHBondContact OG-NH2 2.93Å
158	Q	97.5	Very high	86.7	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-80.1	-18.8	178.3	-61.8	-179.6	-10.7	0	0	113.1	G35 P37 W38 E154 T155 F156 I160 R525	G35-Q158 CarbonylContact C-O 3.58Å; G35-Q158 VanDerWaalsContact C-O 3.31Å; G35-Q158 VanDerWaalsContact CA-O 3.28Å; G35-Q158 WeakPolarHBondContact CA-O 3.1Å; P37-Q158 HydrophobicContact CB-CB 4.49Å; P37-Q158 VanDerWaalsContact CB-OE1 3.32Å; W38-Q158 PolarHBondContact O-NE2 2.79Å; W38-Q158 PolarHBondContact O-OE1 3.48Å; E154-Q158 HydrophobicContact CG-CG 4.44Å; E154-Q158 VanDerWaalsContact O-CG 3.28Å; E154-Q158 WeakPolarHBondContact O-CG 3.24Å; E154-Q158 PolarHBondContact O-N 3.42Å; E154-Q158 VanDerWaalsContact O-N 3.11Å; E154-Q158 WeakPolarHBondContact OE1-CG 3.29Å; E154-Q158 PolarHBondContact OE1-NE2 3.41Å; T155-Q158 WeakPolarHBondContact O-CB 3.13Å; T155-Q158 PolarHBondContact O-N 2.96Å; T155-Q158 VanDerWaalsContact O-N 3.09Å; F156-Q158 PolarHBondContact O-N 3.34Å; Q158-I160 PolarHBondContact O-N 3.25Å; Q158-R525 VanDerWaalsContact CD-NH1 3.27Å; Q158-R525 VanDerWaalsContact CG-CZ 3.45Å; Q158-R525 PolarHBondContact O-NH2 3.29Å
159	L	97.5	Very high	84.4	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-8.4	175.3	-64.9	176.5	0	0	0	113.2	L46 L131 V133 T155 F156 I161 I176 R177 A179 I181	L46-L159 HydrophobicContact CD2-CD2 3.94Å; L131-L159 HydrophobicContact CD2-CD1 3.94Å; V133-L159 HydrophobicContact CG2-CD1 4.12Å; T155-L159 PolarHBondContact O-N 2.97Å; F156-L159 PolarHBondContact O-N 3.22Å; F156-L159 VanDerWaalsContact O-N 3.16Å; L159-I161 PolarHBondContact O-N 3.4Å; L159-I176 HydrophobicContact CB-CD1 4.3Å; L159-I176 HydrophobicContact CB-CG1 3.85Å; L159-R177 PolarHBondContact O-N 2.92Å; L159-A179 HydrophobicContact CD1-CB 3.72Å; L159-A179 HydrophobicContact CD2-CB 4.4Å; L159-I181 HydrophobicContact CD1-CD1 4.14Å; L159-I181 HydrophobicContact CD2-CD1 4.3Å
160	I	95	Very high	82.1	Confident	10 Å²	10	32.4 Å²	32.4	5%	0.051	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	122.7	178.6	-60.9	174.6	0	0	0	109.5	L52 M79 Q158 L174 A175 I176	L52-I160 HydrophobicContact CD2-CD1 3.76Å; L52-I160 HydrophobicContact CD2-CG1 3.91Å; L52-I160 HydrophobicContact CD2-CG2 4.29Å; M79-I160 HydrophobicContact CB-CD1 3.83Å; M79-I160 HydrophobicContact CE-CD1 3.77Å; M79-I160 HydrophobicContact CG-CD1 3.51Å; M79-I160 HydrophobicContact SD-CD1 4.28Å; Q158-I160 PolarHBondContact O-N 3.25Å; I160-L174 HydrophobicContact CG2-CD1 4.49Å; I160-L174 HydrophobicContact CG2-CD2 4.02Å; I160-A175 CarbonylContact C-O 3.6Å; I160-A175 WeakPolarHBondContact CA-O 3.28Å; I160-A175 WeakPolarHBondContact CG2-O 3.4Å; I160-I176 HydrophobicContact CG1-CB 4.47Å; I160-I176 HydrophobicContact CG1-CD1 4.21Å; I160-I176 HydrophobicContact CG1-CG1 4.29Å
161	I	91.7	Very high	80.3	Confident	28 Å²	28	33.3 Å²	33.3	14%	0.144	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	120.2	171.4	-58.1	172.3	0	0	0	107.9	K34 P49 L159 A175 R177	K34-I161 HydrophobicContact CB-CG2 4.28Å; P49-I161 HydrophobicContact CB-CD1 4.06Å; L159-I161 PolarHBondContact O-N 3.4Å; I161-A175 HydrophobicContact CB-CB 4.33Å; I161-A175 PolarHBondContact N-O 2.91Å; I161-A175 PolarHBondContact O-N 3.42Å; I161-A175 VanDerWaalsContact O-N 3.1Å; I161-R177 HydrophobicContact CD1-CG 3.74Å; I161-R177 HydrophobicContact CG1-CG 4.13Å
162	R	86.8	Confident	78.6	Confident	29 Å²	29	37 Å²	37	11%	0.109	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-91.1	145.2	174.4	-67.8	-176.4	171.9	-86.1	-7.6	110.4	I78 M79 K81 L174 Y543 E544	I78-R162 PolarHBondContact O-NH2 3.42Å; M79-R162 PolarHBondContact O-NH2 2.57Å; K81-R162 PolarHBondContact O-NH1 3Å; R162-L174 HydrophobicContact CB-CD2 4.48Å; R162-L174 HydrophobicContact CG-CD2 3.9Å; R162-Y543 HydrophobicContact CB-CE2 4.24Å; R162-E544 HydrophobicContact CB-CG 3.83Å; R162-E544 HydrophobicContact CG-CG 4.33Å
163	P	76.3	Confident	77.7	Confident	21 Å²	21	38.5 Å²	38.5	14%	0.136	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-70.4	141.5	-177	27.8	-34.5	0	0	0	112.6	T172 Y543	P163-T172 WeakPolarHBondContact CB-O 3.07Å; P163-T172 WeakPolarHBondContact CB-OG1 3.48Å; P163-T172 WeakPolarHBondContact CG-O 3.14Å; P163-Y543 VanDerWaalsContact O-CD2 3.24Å; P163-Y543 WeakPolarHBondContact O-CD2 3.43Å; P163-Y543 VanDerWaalsContact O-CE2 3.26Å; P163-Y543 WeakPolarHBondContact O-CE2 3.38Å
164	D	72.7	Confident	77.2	Confident	34 Å²	34	39 Å²	39	18%	0.182	24%	0.238	C	C	.	.			trans	-96	110.2	172.9	-172.5	-11	0	0	0	109.1	H166 A167 Y543	D164-H166 PolarHBondContact O-N 2.96Å; D164-H166 PolarHBondContact OD1-N 2.89Å; D164-A167 PolarHBondContact O-N 2.89Å; D164-Y543 HydrophobicContact CB-CD1 4.29Å; D164-Y543 HydrophobicContact CB-CE1 4.26Å
165	Y	60.7	Low	76.9	Confident	161 Å²	161	40 Å²	40	63%	0.631	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-20	-179.1	-171.2	-98	0	0	0	112.7
166	H	56.7	Low	76.8	Confident	87 Å²	87	40 Å²	40	40%	0.403	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	9.9	-176.9	-63	-57.7	0	0	0	113.4	H22 D164 G168	H22-H166 PolarHBondContact CE1-O 3.26Å; H22-H166 PolarHBondContact NE2-O 3.02Å; D164-H166 PolarHBondContact O-N 2.96Å; D164-H166 PolarHBondContact OD1-N 2.89Å; H166-G168 PolarHBondContact O-N 3.32Å
167	A	52.1	Low	76.6	Confident	53 Å²	53	42.8 Å²	42.8	44%	0.438	26%	0.256	S	S	.	.	S	Bend	trans	-75.4	-0.9	177.4	0	0	0	0	0	114.4	D164 D169	D164-A167 PolarHBondContact O-N 2.89Å; A167-D169 PolarHBondContact O-N 3.43Å
168	G	48.3	Very low	76.6	Confident	64 Å²	64	43.2 Å²	43.2	66%	0.66	26%	0.258	S	S	*	.	S	Bend	trans	68.2	-10.4	-176.7	0	0	0	0	0	114.9	H166	H166-G168 PolarHBondContact O-N 3.32Å
169	D	49.8	Very low	76.7	Confident	134 Å²	134	43.4 Å²	43.4	72%	0.717	26%	0.26	S	S	*	.	S	Bend	trans	-106.3	48.2	-170.3	-68.1	-21.6	0	0	0	112.3	A167	A167-D169 PolarHBondContact O-N 3.43Å
170	G	51	Low	76.7	Confident	38 Å²	38	49.9 Å²	49.9	39%	0.392	29%	0.288	S	S	.	.			trans	61.3	175.7	177.5	0	0	0	0	0	114.4	T172	G170-T172 PolarHBondContact O-N 2.96Å
171	C	59.3	Low	76.9	Confident	26 Å²	26	49.5 Å²	49.5	18%	0.176	29%	0.286	C	S	.	.			trans	-84	98.3	177.3	-142.7	0	0	0	0	108.6	L86 C87	L86-C171 PolarHBondContact O-SG 2.69Å; C87-C171 WeakPolarHBondContact CA-SG 3.49Å; C87-C171 HydrophobicContact CB-CB 3.78Å; C87-C171 WeakPolarHBondContact CB-SG 3.41Å; C87-C171 WeakPolarHBondContact SG-CB 3.44Å; C87-C171 CovalentContact SG-SG 2.02Å; C87-C171 PolarHBondContact SG-SG 3.48Å
172	T	65	Low	77.2	Confident	82 Å²	82	51.4 Å²	51.4	50%	0.503	30%	0.299	S	S	.	.			trans	-65.6	141.5	168.7	57.1	0	0	0	0	108.7	P163 G170	P163-T172 WeakPolarHBondContact CB-O 3.07Å; P163-T172 WeakPolarHBondContact CB-OG1 3.48Å; P163-T172 WeakPolarHBondContact CG-O 3.14Å; G170-T172 PolarHBondContact O-N 2.96Å
173	G	78.2	Confident	77.8	Confident	32 Å²	32	50.1 Å²	50.1	33%	0.33	30%	0.295	S	S	.	.			trans	-65.1	178.5	173.6	0	0	0	0	0	112.3
174	L	89	Confident	78.9	Confident	11 Å²	11	56 Å²	56	6%	0.058	31%	0.314	C	S	.	.			trans	-59.6	144.3	166.1	-73.1	-177.3	0	0	0	110.1	L52 F80 C83 I160 R162	L52-L174 HydrophobicContact CB-CB 4.1Å; L52-L174 HydrophobicContact CD2-CD1 4.36Å; L52-L174 PolarHBondContact N-O 3.28Å; F80-L174 HydrophobicContact CD1-CD1 3.87Å; F80-L174 HydrophobicContact CE1-CD1 4.35Å; C83-L174 WeakPolarHBondContact SG-CD1 3.46Å; C83-L174 WeakPolarHBondContact SG-CG 3.15Å; I160-L174 HydrophobicContact CG2-CD1 4.49Å; I160-L174 HydrophobicContact CG2-CD2 4.02Å; R162-L174 HydrophobicContact CB-CD2 4.48Å; R162-L174 HydrophobicContact CG-CD2 3.9Å
175	A	92.6	Very high	80.1	Confident	19 Å²	19	55.4 Å²	55.4	16%	0.157	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	165.5	169.9	0	0	0	0	0	110.3	P49 L50 I160 I161	P49-A175 HydrophobicContact CB-CB 4.08Å; L50-A175 CarbonylContact O-C 3.59Å; L50-A175 WeakPolarHBondContact O-CA 3.39Å; L50-A175 VanDerWaalsContact O-CB 3.3Å; L50-A175 WeakPolarHBondContact O-CB 3.35Å; I160-A175 CarbonylContact C-O 3.6Å; I160-A175 WeakPolarHBondContact CA-O 3.28Å; I160-A175 WeakPolarHBondContact CG2-O 3.4Å; I161-A175 HydrophobicContact CB-CB 4.33Å; I161-A175 PolarHBondContact N-O 2.91Å; I161-A175 PolarHBondContact O-N 3.42Å; I161-A175 VanDerWaalsContact O-N 3.1Å
176	I	95.5	Very high	81.9	Confident	0 Å²	0	50 Å²	50	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	135.8	174.6	-173	171.5	0	0	0	109.3	P49 L50 L52 L105 F156 L159 I160 T178	P49-I176 CarbonylContact C-O 3.54Å; P49-I176 VanDerWaalsContact CA-O 3.28Å; P49-I176 WeakPolarHBondContact CA-O 3.48Å; L50-I176 HydrophobicContact CB-CG2 4.21Å; L50-I176 PolarHBondContact N-O 2.82Å; L50-I176 PolarHBondContact O-N 2.81Å; L52-I176 HydrophobicContact CB-CG2 4.5Å; L105-I176 HydrophobicContact CB-CG2 3.89Å; L105-I176 HydrophobicContact CD2-CD1 3.93Å; L105-I176 HydrophobicContact CD2-CG2 3.84Å; L105-I176 HydrophobicContact CG-CG2 4.44Å; F156-I176 HydrophobicContact CD2-CD1 3.88Å; F156-I176 HydrophobicContact CE1-CD1 4.31Å; F156-I176 HydrophobicContact CE2-CD1 3.38Å; F156-I176 HydrophobicContact CZ-CD1 3.63Å; L159-I176 HydrophobicContact CB-CD1 4.3Å; L159-I176 HydrophobicContact CB-CG1 3.85Å; I160-I176 HydrophobicContact CG1-CB 4.47Å; I160-I176 HydrophobicContact CG1-CD1 4.21Å; I160-I176 HydrophobicContact CG1-CG1 4.29Å; I176-T178 PolarHBondContact O-N 2.79Å
177	R	95.9	Very high	83.9	Confident	60 Å²	60	46 Å²	46	23%	0.226	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	134	176.3	-67.5	-168.9	177.2	-78.4	-2.1	110.8	K34 L46 L159 I161	K34-R177 VanDerWaalsContact O-CZ 3.22Å; K34-R177 PolarHBondContact O-NE 2.93Å; K34-R177 PolarHBondContact O-NH2 3.44Å; L46-R177 HydrophobicContact CD2-CB 4.23Å; L159-R177 PolarHBondContact O-N 2.92Å; I161-R177 HydrophobicContact CD1-CG 3.74Å; I161-R177 HydrophobicContact CG1-CG 4.13Å
178	T	97.6	Very high	86.1	Confident	18 Å²	18	46.5 Å²	46.5	11%	0.11	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	141.9	158.2	55.2	0	0	0	0	109	G47 E48 L50 V133 I176	G47-T178 WeakPolarHBondContact CA-OG1 3.07Å; G47-T178 PolarHBondContact N-O 2.8Å; E48-T178 PolarHBondContact N-OG1 3.17Å; E48-T178 VanDerWaalsContact N-OG1 3.16Å; E48-T178 WeakPolarHBondContact O-CB 3.24Å; E48-T178 VanDerWaalsContact O-CG2 3.26Å; E48-T178 WeakPolarHBondContact O-CG2 3.37Å; E48-T178 PolarHBondContact O-N 3.3Å; E48-T178 VanDerWaalsContact O-N 3.11Å; E48-T178 PolarHBondContact O-OG1 2.74Å; L50-T178 HydrophobicContact CD1-CG2 3.91Å; L50-T178 HydrophobicContact CD2-CG2 4.32Å; L50-T178 HydrophobicContact CG-CG2 3.82Å; V133-T178 WeakPolarHBondContact O-CA 3.19Å; V133-T178 VanDerWaalsContact O-CB 3.23Å; V133-T178 WeakPolarHBondContact O-CB 3.15Å; I176-T178 PolarHBondContact O-N 2.79Å
179	A	98.2	Very high	88.5	Confident	5 Å²	5	43.7 Å²	43.7	4%	0.041	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	151.4	-172.6	0	0	0	0	0	111.8	H45 L46 V132 V133 L159 I181	H45-A179 CarbonylContact O-C 3.41Å; H45-A179 VanDerWaalsContact O-CA 3.22Å; H45-A179 WeakPolarHBondContact O-CA 3.1Å; L46-A179 HydrophobicContact CD2-CB 4.02Å; V132-A179 CarbonylContact C-O 3.49Å; V132-A179 WeakPolarHBondContact CA-O 3.18Å; V133-A179 PolarHBondContact N-O 3.28Å; V133-A179 PolarHBondContact O-N 3.45Å; V133-A179 VanDerWaalsContact O-N 3.13Å; L159-A179 HydrophobicContact CD1-CB 3.72Å; L159-A179 HydrophobicContact CD2-CB 4.4Å; A179-I181 HydrophobicContact CB-CD1 4.18Å; A179-I181 HydrophobicContact CB-CG1 4.32Å
180	K	98.7	Very high	90.8	Very high	135 Å²	135	37.4 Å²	37.4	59%	0.587	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.9	116.6	161	-66	-178.1	-180	-177.6	0	107.7	H45 V132	H45-K180 HydrophobicContact CB-CB 4.42Å; H45-K180 PolarHBondContact N-O 3.07Å; H45-K180 PolarHBondContact O-N 2.99Å; V132-K180 HydrophobicContact CG1-CG 4.23Å
181	I	98.9	Very high	93.1	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.5	-174.9	-67.6	169.9	0	0	0	108.9	P41 E43 I44 Y129 T130 L131 T155 L159 A179 D183	P41-I181 HydrophobicContact CB-CG2 3.69Å; P41-I181 HydrophobicContact CG-CD1 4.41Å; P41-I181 HydrophobicContact CG-CG2 3.92Å; E43-I181 WeakPolarHBondContact O-CA 3.08Å; I44-I181 HydrophobicContact CB-CG1 4.16Å; I44-I181 HydrophobicContact CD1-CD1 3.92Å; I44-I181 HydrophobicContact CD1-CG1 4.11Å; I44-I181 HydrophobicContact CG1-CD1 4.15Å; I44-I181 HydrophobicContact CG1-CG1 3.77Å; Y129-I181 HydrophobicContact CE2-CG2 4.1Å; T130-I181 CarbonylContact C-O 3.31Å; T130-I181 VanDerWaalsContact CA-O 3.27Å; T130-I181 WeakPolarHBondContact CA-O 3.48Å; L131-I181 HydrophobicContact CB-CB 4.23Å; L131-I181 HydrophobicContact CD2-CD1 4.36Å; L131-I181 PolarHBondContact N-O 3.5Å; L131-I181 PolarHBondContact O-N 3.25Å; T155-I181 HydrophobicContact CG2-CD1 3.69Å; L159-I181 HydrophobicContact CD1-CD1 4.14Å; L159-I181 HydrophobicContact CD2-CD1 4.3Å; A179-I181 HydrophobicContact CB-CD1 4.18Å; A179-I181 HydrophobicContact CB-CG1 4.32Å; I181-D183 HydrophobicContact CG2-CB 3.99Å
182	T	98.8	Very high	95	Very high	68 Å²	68	34.4 Å²	34.4	42%	0.417	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.5	166.3	-58.9	0	0	0	0	106.6	E43 T130	E43-T182 PolarHBondContact N-O 2.8Å; E43-T182 PolarHBondContact O-N 3.27Å; E43-T182 VanDerWaalsContact O-N 3.15Å; T130-T182 HydrophobicContact CG2-CG2 4.25Å
183	D	98.9	Very high	96.6	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.016	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	152.4	-168.4	-162.9	20.6	0	0	0	112.9	P41 Q42 N128 Y129 I181 W504	P41-D183 VanDerWaalsContact CA-OD1 3.31Å; P41-D183 WeakPolarHBondContact CA-OD1 3.43Å; P41-D183 HydrophobicContact CB-CB 4.01Å; Q42-D183 PolarHBondContact N-OD1 2.62Å; N128-D183 WeakPolarHBondContact CA-O 3.07Å; Y129-D183 HydrophobicContact CD1-CB 4.22Å; Y129-D183 HydrophobicContact CE1-CB 3.55Å; Y129-D183 WeakPolarHBondContact CE1-OD2 3.44Å; Y129-D183 HydrophobicContact CE2-CB 4.01Å; Y129-D183 VanDerWaalsContact CZ-CB 3.41Å; Y129-D183 VanDerWaalsContact CZ-OD2 3.29Å; Y129-D183 PolarHBondContact N-O 2.82Å; Y129-D183 PolarHBondContact O-N 3.18Å; Y129-D183 WeakPolarHBondContact OH-CB 3.47Å; Y129-D183 PolarHBondContact OH-OD2 2.82Å; I181-D183 HydrophobicContact CG2-CB 3.99Å; D183-W504 VanDerWaalsContact CG-NE1 3.31Å; D183-W504 PolarHBondContact OD1-NE1 3.38Å; D183-W504 VanDerWaalsContact OD2-CZ2 3.29Å; D183-W504 WeakPolarHBondContact OD2-CZ2 3.42Å; D183-W504 PolarHBondContact OD2-NE1 3.5Å
184	R	98.7	Very high	97.6	Very high	143 Å²	143	29 Å²	29	54%	0.54	14%	0.14	S	C	.	.			trans	-166.2	155.1	177.9	57.3	176.6	-177.8	91.2	2.1	108.8	Q42 N128	Q42-R184 HydrophobicContact CG-CG 3.83Å; Q42-R184 VanDerWaalsContact CG-O 3.28Å; Q42-R184 WeakPolarHBondContact CG-O 3.26Å; Q42-R184 PolarHBondContact NE2-O 2.81Å; N128-R184 HydrophobicContact CB-CB 4.02Å
185	P	98.7	Very high	98.1	Very high	22 Å²	22	28.6 Å²	28.6	14%	0.143	14%	0.138	C	C	.	.			trans	-70.1	146.2	174	30	-35.5	0	0	0	111.5	E127 W504	E127-P185 HydrophobicContact CB-CG 3.97Å; P185-W504 CarbonylContact C-O 3.53Å; P185-W504 HydrophobicContact CB-CD2 4.24Å; P185-W504 HydrophobicContact CB-CE3 3.76Å; P185-W504 HydrophobicContact CB-CH2 4.35Å; P185-W504 HydrophobicContact CB-CZ3 3.83Å; P185-W504 HydrophobicContact CG-CH2 4.48Å; P185-W504 HydrophobicContact CG-CZ3 4.23Å
186	R	98.4	Very high	98.4	Very high	49 Å²	49	27.7 Å²	27.7	19%	0.185	13%	0.131	C	C	.	.	S	Bend	trans	-69.7	-41.6	167.5	-179	179	170.6	-156.7	-4.2	111.8	D457 W504 S505	R186-D457 IonicContact CZ-OD1 3.53Å; R186-D457 IonicContact CZ-OD2 3.14Å; R186-D457 IonicContact NH1-OD1 3.01Å; R186-D457 PolarHBondContact NH1-OD1 3Å; R186-D457 IonicContact NH1-OD2 3.89Å; R186-D457 PolarHBondContact NH1-OD2 3.49Å; R186-D457 IonicContact NH2-OD1 3.36Å; R186-D457 PolarHBondContact NH2-OD1 2.83Å; R186-D457 IonicContact NH2-OD2 3.95Å; R186-D457 PolarHBondContact NH2-OD2 3.26Å; R186-W504 WeakPolarHBondContact CB-O 3.16Å; R186-W504 PolarHBondContact N-O 2.93Å; R186-S505 WeakPolarHBondContact CB-O 3.34Å; R186-S505 WeakPolarHBondContact CD-O 3.35Å
187	F	98.6	Very high	98.5	Very high	3 Å²	3	27.7 Å²	27.7	1%	0.013	13%	0.131	C	C	.	.			trans	-119.9	136.4	179.8	-64.6	-82	0	0	0	112.2	R190 P458 Q459 V471 L503	F187-R190 PolarHBondContact O-NH1 3.4Å; F187-P458 HydrophobicContact CE1-CB 4.18Å; F187-P458 HydrophobicContact CE2-CB 4.49Å; F187-P458 HydrophobicContact CE2-CG 4.11Å; F187-P458 HydrophobicContact CZ-CB 3.89Å; F187-P458 HydrophobicContact CZ-CG 4Å; F187-Q459 HydrophobicContact CE1-CG 3.87Å; F187-Q459 HydrophobicContact CZ-CG 3.83Å; F187-V471 WeakPolarHBondContact CD1-O 3.28Å; F187-V471 HydrophobicContact CE1-CG1 4.31Å; F187-L503 HydrophobicContact CD2-CD2 3.89Å; F187-L503 HydrophobicContact CE2-CD2 4.36Å; F187-L503 HydrophobicContact CG-CD2 4.34Å; F187-L503 PolarHBondContact N-O 3.01Å; F187-L503 VanDerWaalsContact N-O 3.13Å
188	P	98.3	Very high	98.5	Very high	62 Å²	62	26.1 Å²	26.1	40%	0.403	13%	0.125	S	C	.	.	S	Bend	trans	-73.4	-23.1	-179.1	29.4	-36.8	0	0	0	113.9	N219 L472	P188-N219 PolarHBondContact O-ND2 3.31Å; P188-L472 WeakPolarHBondContact CD-O 3.18Å; P188-L472 WeakPolarHBondContact CG-O 3.44Å
189	Y	98.7	Very high	98.6	Very high	6 Å²	6	28.7 Å²	28.7	2%	0.024	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	112.8	179	-166.6	-67.1	0	0	0	110.7	V220 I394 L434 L472 G473 G474 T475	Y189-V220 HydrophobicContact CD1-CB 4.44Å; Y189-V220 HydrophobicContact CD1-CG2 4.18Å; Y189-V220 HydrophobicContact CD2-CG2 3.93Å; Y189-V220 HydrophobicContact CE1-CB 3.96Å; Y189-V220 HydrophobicContact CE1-CG1 4.02Å; Y189-V220 HydrophobicContact CE1-CG2 4.09Å; Y189-V220 HydrophobicContact CE2-CB 4.34Å; Y189-V220 HydrophobicContact CE2-CG1 4Å; Y189-V220 HydrophobicContact CE2-CG2 3.88Å; Y189-V220 HydrophobicContact CG-CG2 4.09Å; Y189-V220 WeakPolarHBondContact OH-CG1 3.23Å; Y189-I394 HydrophobicContact CE2-CD1 4.18Å; Y189-L434 HydrophobicContact CD1-CD1 4.12Å; Y189-L434 HydrophobicContact CD1-CD2 3.52Å; Y189-L434 HydrophobicContact CD1-CG 4.48Å; Y189-L434 HydrophobicContact CD2-CD1 4.12Å; Y189-L434 HydrophobicContact CD2-CD2 4.03Å; Y189-L434 HydrophobicContact CE1-CD1 3.89Å; Y189-L434 HydrophobicContact CE1-CD2 4.13Å; Y189-L434 HydrophobicContact CE2-CD1 3.85Å; Y189-L434 HydrophobicContact CG-CD1 4.25Å; Y189-L434 HydrophobicContact CG-CD2 3.47Å; Y189-L434 VanDerWaalsContact CG-CD2 3.47Å; Y189-L472 WeakPolarHBondContact CB-O 3.35Å; Y189-L472 PolarHBondContact N-O 3.45Å; Y189-G473 WeakPolarHBondContact O-CA 3.09Å; Y189-G474 PolarHBondContact O-N 3.42Å; Y189-G474 VanDerWaalsContact O-N 3.08Å; Y189-T475 WeakPolarHBondContact CE1-OG1 3.46Å
190	R	98.9	Very high	98.6	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.008	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	96.8	179.2	-51	-177.1	-61.7	-70	-6.5	108	E127 F187 K217 F218 N219 V220 L503	E127-R190 IonicContact OE1-CZ 3.48Å; E127-R190 IonicContact OE1-NH2 2.8Å; E127-R190 PolarHBondContact OE1-NH2 2.79Å; E127-R190 IonicContact OE2-CZ 2.69Å; E127-R190 VanDerWaalsContact OE2-CZ 3.27Å; E127-R190 IonicContact OE2-NH1 3.96Å; E127-R190 PolarHBondContact OE2-NH1 3.43Å; E127-R190 IonicContact OE2-NH2 3.75Å; E127-R190 PolarHBondContact OE2-NH2 2.87Å; F187-R190 PolarHBondContact O-NH1 3.4Å; R190-K217 PolarHBondContact NE-O 2.58Å; R190-K217 PolarHBondContact NH2-O 2.86Å; R190-F218 HydrophobicContact CB-CD1 4.01Å; R190-F218 WeakPolarHBondContact O-CD1 3.34Å; R190-N219 PolarHBondContact N-OD1 3.27Å; R190-N219 PolarHBondContact NH1-ND2 2.97Å; R190-N219 PolarHBondContact NH2-ND2 3.41Å; R190-N219 PolarHBondContact O-N 3.45Å; R190-N219 PolarHBondContact O-OD1 3.42Å; R190-V220 PolarHBondContact O-N 3.09Å; R190-L503 HydrophobicContact CB-CB 4.42Å; R190-L503 HydrophobicContact CB-CD1 4.19Å; R190-L503 HydrophobicContact CG-CB 3.8Å; R190-L503 HydrophobicContact CG-CD1 4.29Å
191	G	98.8	Very high	98.6	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	148.7	-168.4	0	0	0	0	0	115.1	F218 V220 G474 T475 V476	G191-F218 VanDerWaalsContact O-CE1 3.31Å; G191-F218 WeakPolarHBondContact O-CE1 3.28Å; G191-V220 CarbonylContact C-O 3.58Å; G191-V220 VanDerWaalsContact CA-O 3.23Å; G191-V220 WeakPolarHBondContact CA-O 3.46Å; G191-G474 PolarHBondContact N-O 2.88Å; G191-T475 WeakPolarHBondContact O-CA 3.4Å; G191-V476 PolarHBondContact O-N 3.33Å
192	I	98.9	Very high	98.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	124.7	156	-60.7	-159.8	0	0	0	108.4	L194 M213 F218 V220 H222 V476 L492 W493 A496	I192-L194 HydrophobicContact CG2-CD2 4.06Å; I192-L194 HydrophobicContact CG2-CG 4.43Å; I192-M213 HydrophobicContact CB-CE 4.17Å; I192-M213 HydrophobicContact CB-CG 4.45Å; I192-M213 HydrophobicContact CB-SD 4.09Å; I192-M213 HydrophobicContact CD1-CG 3.78Å; I192-M213 HydrophobicContact CG1-CE 4.37Å; I192-M213 HydrophobicContact CG1-CG 4.14Å; I192-M213 HydrophobicContact CG1-SD 4.4Å; I192-F218 HydrophobicContact CD1-CD1 4.42Å; I192-F218 HydrophobicContact CD1-CD2 3.91Å; I192-F218 HydrophobicContact CD1-CE1 4.44Å; I192-F218 HydrophobicContact CD1-CE2 3.88Å; I192-F218 HydrophobicContact CD1-CG 4.19Å; I192-F218 HydrophobicContact CD1-CZ 4.17Å; I192-F218 HydrophobicContact CG1-CD1 3.75Å; I192-F218 HydrophobicContact CG1-CD2 4.13Å; I192-F218 HydrophobicContact CG1-CE1 3.85Å; I192-F218 HydrophobicContact CG1-CE2 4.18Å; I192-F218 HydrophobicContact CG1-CG 3.92Å; I192-F218 HydrophobicContact CG1-CZ 4.07Å; I192-V220 PolarHBondContact N-O 3.34Å; I192-H222 PolarHBondContact O-N 2.72Å; I192-V476 WeakPolarHBondContact CA-O 3.04Å; I192-V476 HydrophobicContact CG1-CB 4.23Å; I192-L492 HydrophobicContact CD1-CD2 4.35Å; I192-L492 HydrophobicContact CG2-CD2 4.12Å; I192-W493 HydrophobicContact CD1-CH2 3.45Å; I192-W493 VanDerWaalsContact CD1-CH2 3.45Å; I192-W493 HydrophobicContact CD1-CZ2 3.45Å; I192-W493 VanDerWaalsContact CD1-CZ2 3.45Å; I192-W493 HydrophobicContact CD1-CZ3 4.48Å; I192-A496 HydrophobicContact CD1-CB 4.04Å
193	L	98.9	Very high	98.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	124.5	168.6	-179.3	163.2	0	0	0	109.7	D195 H222 H224 W396 T475 V476 M478 W479	L193-D195 HydrophobicContact CD2-CB 4.35Å; L193-H222 VanDerWaalsContact CA-O 3.23Å; L193-H222 WeakPolarHBondContact CA-O 3.37Å; L193-H222 HydrophobicContact CB-CB 4Å; L193-H224 HydrophobicContact CD1-CB 4.42Å; L193-H224 HydrophobicContact CD2-CB 4.15Å; L193-H224 HydrophobicContact CG-CB 4.16Å; L193-W396 HydrophobicContact CD1-CH2 3.92Å; L193-W396 HydrophobicContact CD1-CZ2 3.74Å; L193-T475 HydrophobicContact CB-CG2 3.93Å; L193-V476 PolarHBondContact N-O 2.87Å; L193-M478 PolarHBondContact O-N 3.31Å; L193-M478 VanDerWaalsContact O-N 3.08Å; L193-W479 HydrophobicContact CD1-CH2 3.65Å; L193-W479 HydrophobicContact CD1-CZ2 3.88Å; L193-W479 HydrophobicContact CD1-CZ3 4.02Å; L193-W479 HydrophobicContact CD2-CD2 4.14Å; L193-W479 HydrophobicContact CD2-CE3 3.84Å; L193-W479 HydrophobicContact CD2-CH2 4.35Å; L193-W479 HydrophobicContact CD2-CZ3 3.96Å
194	L	98.9	Very high	98.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128.2	161.9	-55.7	-178.3	0	0	0	109.5	I192 L201 N209 F221 H222 H224 M478 L488 L492	I192-L194 HydrophobicContact CG2-CD2 4.06Å; I192-L194 HydrophobicContact CG2-CG 4.43Å; L194-L201 HydrophobicContact CB-CD1 4.22Å; L194-L201 HydrophobicContact CD1-CD1 4.06Å; L194-N209 HydrophobicContact CD1-CB 4.21Å; L194-F221 HydrophobicContact CB-CE2 3.84Å; L194-F221 HydrophobicContact CB-CZ 4.5Å; L194-F221 HydrophobicContact CD1-CE2 3.86Å; L194-F221 HydrophobicContact CD1-CZ 4.37Å; L194-F221 HydrophobicContact CG-CE2 3.81Å; L194-H222 PolarHBondContact N-O 2.69Å; L194-H222 VanDerWaalsContact N-O 3.11Å; L194-H224 PolarHBondContact O-N 3.35Å; L194-H224 VanDerWaalsContact O-N 3.1Å; L194-M478 HydrophobicContact CD2-CB 4.2Å; L194-L488 HydrophobicContact CD1-CD2 4.27Å; L194-L488 HydrophobicContact CD2-CD1 3.78Å; L194-L488 HydrophobicContact CD2-CD2 4.35Å; L194-L492 HydrophobicContact CD2-CD2 4.17Å
195	D	98.8	Very high	98.6	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.016	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	115.6	171.2	172.5	-2.4	0	0	0	109.4	L193 S197 R198 H224 M478 W479 G480	L193-D195 HydrophobicContact CD2-CB 4.35Å; D195-S197 PolarHBondContact OD1-N 2.81Å; D195-R198 PolarHBondContact OD1-N 2.69Å; D195-R198 VanDerWaalsContact OD2-CB 3.3Å; D195-R198 WeakPolarHBondContact OD2-CB 3.45Å; D195-R198 WeakPolarHBondContact OD2-CD 3.46Å; D195-R198 WeakPolarHBondContact OD2-CG 3.23Å; D195-R198 IonicContact OD2-CZ 3.61Å; D195-R198 IonicContact OD2-NE 2.66Å; D195-R198 IonicContact OD2-NH1 2.77Å; D195-R198 PolarHBondContact OD2-NH1 2.83Å; D195-H224 IonicContact OD1-CD2 3.69Å; D195-M478 PolarHBondContact N-O 3.3Å; D195-W479 HydrophobicContact CB-CE3 4.06Å; D195-G480 WeakPolarHBondContact OD2-CA 3.27Å; D195-G480 PolarHBondContact OD2-N 3.07Å
196	T	98.8	Very high	98.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.123	C	C	.	.			trans	-107.7	10.3	178.1	66.2	0	0	0	0	113.7	H199 L201 I206 W223 H224 I225 Y253	T196-H199 CarbonylContact C-O 3.6Å; T196-H199 VanDerWaalsContact CA-O 3.3Å; T196-H199 WeakPolarHBondContact CA-O 3.5Å; T196-L201 HydrophobicContact CG2-CB 4.07Å; T196-L201 HydrophobicContact CG2-CD1 3.93Å; T196-L201 HydrophobicContact CG2-CG 4.04Å; T196-I206 HydrophobicContact CG2-CD1 4.24Å; T196-W223 VanDerWaalsContact CG2-NE1 3.34Å; T196-W223 PolarHBondContact OG1-NE1 3.3Å; T196-H224 PolarHBondContact N-O 2.6Å; T196-H224 PolarHBondContact OG1-O 2.82Å; T196-I225 WeakPolarHBondContact OG1-CA 3.07Å; T196-I225 PolarHBondContact OG1-O 2.88Å; T196-Y253 WeakPolarHBondContact CB-OH 3.04Å; T196-Y253 HydrophobicContact CG2-CE2 4.46Å; T196-Y253 VanDerWaalsContact CG2-OH 3.32Å; T196-Y253 WeakPolarHBondContact CG2-OH 3.21Å; T196-Y253 WeakPolarHBondContact OG1-CE2 3.19Å
197	S	98.2	Very high	98.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-98	-46.3	177.7	-178.6	0	0	0	0	111.9	D195 H199 D227 T229 S230 F247	D195-S197 PolarHBondContact OD1-N 2.81Å; S197-H199 VanDerWaalsContact C-N 3.28Å; S197-H199 PolarHBondContact O-N 3.27Å; S197-D227 VanDerWaalsContact CB-CB 3.43Å; S197-D227 VanDerWaalsContact CB-N 3.25Å; S197-D227 WeakPolarHBondContact OG-CA 3.44Å; S197-D227 VanDerWaalsContact OG-CB 3.28Å; S197-D227 WeakPolarHBondContact OG-CB 3.34Å; S197-D227 PolarHBondContact OG-N 3.21Å; S197-T229 PolarHBondContact O-OG1 3.32Å; S197-T229 PolarHBondContact OG-OG1 3.49Å; S197-S230 WeakPolarHBondContact CA-OG 3.32Å; S197-S230 PolarHBondContact O-OG 3.2Å; S197-S230 PolarHBondContact OG-N 3.24Å; S197-S230 VanDerWaalsContact OG-N 3.08Å; S197-S230 PolarHBondContact OG-O 3.3Å; S197-F247 WeakPolarHBondContact O-CE2 3.23Å
198	R	96.7	Very high	98.6	Very high	27 Å²	27	23 Å²	23	10%	0.102	13%	0.13	C	C	.	.	S	Bend	trans	-62.2	-40.4	179.5	-81	50.3	170	-83.2	7.8	110.9	D195 D227 T229 E481	D195-R198 PolarHBondContact OD1-N 2.69Å; D195-R198 VanDerWaalsContact OD2-CB 3.3Å; D195-R198 WeakPolarHBondContact OD2-CB 3.45Å; D195-R198 WeakPolarHBondContact OD2-CD 3.46Å; D195-R198 WeakPolarHBondContact OD2-CG 3.23Å; D195-R198 IonicContact OD2-CZ 3.61Å; D195-R198 IonicContact OD2-NE 2.66Å; D195-R198 IonicContact OD2-NH1 2.77Å; D195-R198 PolarHBondContact OD2-NH1 2.83Å; R198-D227 IonicContact CZ-OD1 3.27Å; R198-D227 IonicContact CZ-OD2 3.23Å; R198-D227 IonicContact NE-OD1 3.73Å; R198-D227 PolarHBondContact NE-OD1 2.87Å; R198-D227 IonicContact NE-OD2 2.73Å; R198-D227 PolarHBondContact NE-OD2 2.98Å; R198-D227 IonicContact NH1-OD2 3.49Å; R198-D227 IonicContact NH2-OD1 2.95Å; R198-D227 PolarHBondContact NH2-OD1 2.72Å; R198-D227 IonicContact NH2-OD2 3.36Å; R198-D227 PolarHBondContact NH2-OD2 3.23Å; R198-T229 WeakPolarHBondContact CA-OG1 3.35Å; R198-T229 PolarHBondContact N-OG1 3.07Å; R198-E481 HydrophobicContact CG-CG 3.97Å; R198-E481 IonicContact CZ-OE1 3.54Å; R198-E481 IonicContact NH1-OE1 3.43Å
199	H	98.4	Very high	98.6	Very high	71 Å²	71	20 Å²	20	33%	0.329	11%	0.111	S	C	.	.	S	Bend	trans	-137.8	143.4	160.3	-69.1	86.4	0	0	0	110.3	T196 S197 G480 E481 V483 D484	T196-H199 CarbonylContact C-O 3.6Å; T196-H199 VanDerWaalsContact CA-O 3.3Å; T196-H199 WeakPolarHBondContact CA-O 3.5Å; S197-H199 VanDerWaalsContact C-N 3.28Å; S197-H199 PolarHBondContact O-N 3.27Å; H199-G480 PolarHBondContact ND1-O 3.35Å; H199-E481 PolarHBondContact CE1-O 2.73Å; H199-V483 WeakPolarHBondContact CB-O 3.38Å; H199-D484 HydrophobicContact CB-CB 3.74Å
200	F	98.7	Very high	98.6	Very high	39 Å²	39	19.7 Å²	19.7	17%	0.171	11%	0.11	C	C	.	.			trans	-69.7	138.3	174.5	177.7	-95.4	0	0	0	111.1	P232 H251 Y253	F200-P232 HydrophobicContact CD2-CB 4.1Å; F200-P232 HydrophobicContact CE2-CB 4.46Å; F200-H251 HydrophobicContact CB-CB 3.94Å; F200-H251 HydrophobicContact CD1-CB 4.2Å; F200-H251 AromaticContact CD1-CD2 3.61Å; F200-H251 VanDerWaalsContact CD2-C 3.46Å; F200-H251 HydrophobicContact CD2-CB 3.93Å; F200-H251 HydrophobicContact CE2-CB 4.49Å; F200-H251 HydrophobicContact CG-CB 3.76Å; F200-H251 AromaticContact CG-CD2 3.84Å; F200-Y253 HydrophobicContact CD2-CE1 4.25Å; F200-Y253 HydrophobicContact CD2-CE2 4.02Å; F200-Y253 AromaticContact CD2-CZ 3.74Å; F200-Y253 AromaticContact CE2-CD1 3.89Å; F200-Y253 HydrophobicContact CE2-CD1 3.89Å; F200-Y253 HydrophobicContact CE2-CD2 4.24Å; F200-Y253 AromaticContact CE2-CE1 3.42Å; F200-Y253 HydrophobicContact CE2-CE1 3.42Å; F200-Y253 VanDerWaalsContact CE2-CE1 3.42Å; F200-Y253 AromaticContact CE2-CE2 3.81Å; F200-Y253 HydrophobicContact CE2-CE2 3.81Å; F200-Y253 HydrophobicContact CE2-CG 4.28Å; F200-Y253 AromaticContact CE2-CZ 3.37Å; F200-Y253 HydrophobicContact CZ-CD1 4.26Å; F200-Y253 AromaticContact CZ-CE1 3.76Å; F200-Y253 HydrophobicContact CZ-CE1 3.76Å
201	L	98.8	Very high	98.6	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.016	12%	0.118	C	C	.	.			trans	-110.8	131.8	172.5	-61.6	-176.6	0	0	0	109.8	L194 T196 M205 I206 Y253 L488	L194-L201 HydrophobicContact CB-CD1 4.22Å; L194-L201 HydrophobicContact CD1-CD1 4.06Å; T196-L201 HydrophobicContact CG2-CB 4.07Å; T196-L201 HydrophobicContact CG2-CD1 3.93Å; T196-L201 HydrophobicContact CG2-CG 4.04Å; L201-M205 HydrophobicContact CD2-CG 4.44Å; L201-I206 HydrophobicContact CB-CD1 4.32Å; L201-I206 HydrophobicContact CB-CG1 4Å; L201-Y253 PolarHBondContact N-OH 3.17Å; L201-Y253 VanDerWaalsContact O-CE1 3.3Å; L201-Y253 WeakPolarHBondContact O-CE1 3.01Å; L201-Y253 PolarHBondContact O-OH 2.95Å; L201-L488 HydrophobicContact CD1-CD2 3.63Å; L201-L488 HydrophobicContact CD2-CD2 4.18Å
202	S	98.7	Very high	98.6	Very high	53 Å²	53	21.4 Å²	21.4	37%	0.371	12%	0.118	S	C	.	.			trans	-66	151.1	177.5	70.8	0	0	0	0	111.6	P204 M205 I206	S202-P204 VanDerWaalsContact C-CD 3.5Å; S202-P204 VanDerWaalsContact C-N 3.3Å; S202-M205 WeakPolarHBondContact O-CA 3.01Å; S202-M205 VanDerWaalsContact O-CB 3.31Å; S202-M205 WeakPolarHBondContact O-CB 3.36Å; S202-M205 PolarHBondContact O-N 2.77Å; S202-M205 WeakPolarHBondContact OG-CB 3.45Å; S202-M205 PolarHBondContact OG-N 3.26Å; S202-I206 PolarHBondContact O-N 3.03Å; S202-I206 VanDerWaalsContact O-N 3.1Å
203	V	98.7	Very high	98.6	Very high	25 Å²	25	21.4 Å²	21.4	15%	0.152	12%	0.118	C	C	.	.	H	α-helix	trans	-52.1	-43.3	175.4	175.9	0	0	0	0	112.4	M205 I206 K207 Y253 D257 I261	V203-M205 VanDerWaalsContact C-N 3.32Å; V203-M205 PolarHBondContact O-N 3.11Å; V203-I206 PolarHBondContact O-N 3.02Å; V203-K207 HydrophobicContact CG1-CD 4.23Å; V203-K207 HydrophobicContact CG1-CG 4.45Å; V203-K207 WeakPolarHBondContact O-CG 3.13Å; V203-K207 PolarHBondContact O-N 3.02Å; V203-Y253 HydrophobicContact CG2-CD1 4.4Å; V203-D257 HydrophobicContact CG2-CB 3.9Å; V203-I261 HydrophobicContact CG1-CD1 4.3Å; V203-I261 HydrophobicContact CG1-CG1 4.04Å; V203-I261 HydrophobicContact CG2-CD1 4.21Å
204	P	98.5	Very high	98.6	Very high	97 Å²	97	21.6 Å²	21.6	63%	0.63	12%	0.12	S	C	*	.	H	α-helix	trans	-60.1	-36.9	173.7	-25.9	36.3	0	0	0	114.2	S202 K207 G208	S202-P204 VanDerWaalsContact C-CD 3.5Å; S202-P204 VanDerWaalsContact C-N 3.3Å; P204-K207 PolarHBondContact O-N 3.49Å; P204-G208 PolarHBondContact O-N 2.94Å
205	M	98.6	Very high	98.5	Very high	34 Å²	34	21.6 Å²	21.6	17%	0.167	12%	0.12	C	C	.	.	H	α-helix	trans	-64.5	-46.7	177.6	-177.1	59.6	60.6	0	0	111.3	L201 S202 V203 K207 G208 N209 G485 L488 L489	L201-M205 HydrophobicContact CD2-CG 4.44Å; S202-M205 WeakPolarHBondContact O-CA 3.01Å; S202-M205 VanDerWaalsContact O-CB 3.31Å; S202-M205 WeakPolarHBondContact O-CB 3.36Å; S202-M205 PolarHBondContact O-N 2.77Å; S202-M205 WeakPolarHBondContact OG-CB 3.45Å; S202-M205 PolarHBondContact OG-N 3.26Å; V203-M205 VanDerWaalsContact C-N 3.32Å; V203-M205 PolarHBondContact O-N 3.11Å; M205-K207 VanDerWaalsContact C-N 3.35Å; M205-K207 PolarHBondContact O-N 2.7Å; M205-G208 PolarHBondContact O-N 2.82Å; M205-N209 PolarHBondContact O-N 3.32Å; M205-G485 WeakPolarHBondContact CE-O 3.49Å; M205-L488 HydrophobicContact CG-CD2 3.75Å; M205-L488 HydrophobicContact SD-CB 4.44Å; M205-L488 HydrophobicContact SD-CD2 4.06Å; M205-L489 HydrophobicContact SD-CD1 3.88Å; M205-L489 HydrophobicContact SD-CD2 3.98Å; M205-L489 HydrophobicContact SD-CG 3.6Å
206	I	98.9	Very high	98.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.4	-45.5	176.8	-63.4	172.2	0	0	0	110.4	T196 L201 S202 V203 N209 L210 F221 W223 Y253 I261	T196-I206 HydrophobicContact CG2-CD1 4.24Å; L201-I206 HydrophobicContact CB-CD1 4.32Å; L201-I206 HydrophobicContact CB-CG1 4Å; S202-I206 PolarHBondContact O-N 3.03Å; S202-I206 VanDerWaalsContact O-N 3.1Å; V203-I206 PolarHBondContact O-N 3.02Å; I206-N209 WeakPolarHBondContact O-CB 3.15Å; I206-N209 PolarHBondContact O-N 2.86Å; I206-L210 HydrophobicContact CG2-CD1 4.28Å; I206-L210 WeakPolarHBondContact O-CG 3.34Å; I206-L210 PolarHBondContact O-N 3.16Å; I206-F221 HydrophobicContact CG2-CE1 3.76Å; I206-F221 HydrophobicContact CG2-CZ 3.86Å; I206-W223 HydrophobicContact CD1-CZ2 4.05Å; I206-Y253 HydrophobicContact CD1-CE1 3.82Å; I206-I261 HydrophobicContact CB-CD1 4.49Å; I206-I261 HydrophobicContact CD1-CD1 3.88Å; I206-I261 HydrophobicContact CG2-CD1 4.26Å; I206-I261 HydrophobicContact CG2-CG1 4.35Å; I206-I261 HydrophobicContact CG2-CG2 3.9Å
207	K	98.7	Very high	98.5	Very high	45 Å²	45	21.5 Å²	21.5	20%	0.196	12%	0.119	C	C	.	.	H	α-helix	trans	-63	-42.1	177.5	-71.8	-175.5	175.4	-176.2	0	113.1	V203 P204 M205 N209 L210 E211 N260 H264	V203-K207 HydrophobicContact CG1-CD 4.23Å; V203-K207 HydrophobicContact CG1-CG 4.45Å; V203-K207 WeakPolarHBondContact O-CG 3.13Å; V203-K207 PolarHBondContact O-N 3.02Å; P204-K207 PolarHBondContact O-N 3.49Å; M205-K207 VanDerWaalsContact C-N 3.35Å; M205-K207 PolarHBondContact O-N 2.7Å; K207-N209 VanDerWaalsContact C-N 3.26Å; K207-N209 PolarHBondContact O-N 3.44Å; K207-L210 WeakPolarHBondContact O-CB 3.4Å; K207-L210 PolarHBondContact O-N 2.6Å; K207-L210 VanDerWaalsContact O-N 3.15Å; K207-E211 PolarHBondContact O-N 3.25Å; K207-N260 WeakPolarHBondContact CE-OD1 3.4Å; K207-N260 PolarHBondContact NZ-ND2 2.75Å; K207-N260 PolarHBondContact NZ-OD1 2.82Å; K207-H264 HydrophobicContact CD-CB 4.3Å; K207-H264 HydrophobicContact CG-CB 4.19Å
208	G	98.5	Very high	98.6	Very high	14 Å²	14	21.5 Å²	21.5	14%	0.144	12%	0.119	C	C	.	.	H	α-helix	trans	-59.7	-38.5	173.9	0	0	0	0	0	112.3	P204 M205 E211 L212 F531	P204-G208 PolarHBondContact O-N 2.94Å; M205-G208 PolarHBondContact O-N 2.82Å; G208-E211 PolarHBondContact O-N 3.35Å; G208-L212 PolarHBondContact O-N 3.34Å; G208-F531 WeakPolarHBondContact O-CE1 3.4Å
209	N	98.8	Very high	98.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-67.7	-39.9	173.2	-172.1	65.2	0	0	0	113	L194 M205 I206 K207 E211 L212 M213 L489 L492 W493	L194-N209 HydrophobicContact CD1-CB 4.21Å; M205-N209 PolarHBondContact O-N 3.32Å; I206-N209 WeakPolarHBondContact O-CB 3.15Å; I206-N209 PolarHBondContact O-N 2.86Å; K207-N209 VanDerWaalsContact C-N 3.26Å; K207-N209 PolarHBondContact O-N 3.44Å; N209-E211 VanDerWaalsContact C-N 3.27Å; N209-E211 PolarHBondContact O-N 3.36Å; N209-L212 CarbonylContact O-C 3.52Å; N209-L212 PolarHBondContact O-N 3.12Å; N209-L212 VanDerWaalsContact O-N 3.15Å; N209-M213 WeakPolarHBondContact O-CG 3.29Å; N209-M213 PolarHBondContact O-N 3.49Å; N209-L489 HydrophobicContact CB-CD2 4.17Å; N209-L492 WeakPolarHBondContact OD1-CD2 3.1Å; N209-W493 PolarHBondContact OD1-NE1 2.92Å
210	L	98.9	Very high	98.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60.5	-36.7	175.7	-72	169.1	0	0	0	112.1	I206 K207 M213 G214 F221 I261 A265 I270	I206-L210 HydrophobicContact CG2-CD1 4.28Å; I206-L210 WeakPolarHBondContact O-CG 3.34Å; I206-L210 PolarHBondContact O-N 3.16Å; K207-L210 WeakPolarHBondContact O-CB 3.4Å; K207-L210 PolarHBondContact O-N 2.6Å; K207-L210 VanDerWaalsContact O-N 3.15Å; L210-M213 HydrophobicContact CD2-SD 4.01Å; L210-M213 WeakPolarHBondContact O-CB 3.37Å; L210-M213 PolarHBondContact O-N 3.37Å; L210-G214 PolarHBondContact O-N 3.26Å; L210-F221 HydrophobicContact CD2-CB 3.8Å; L210-F221 HydrophobicContact CD2-CD1 4.06Å; L210-F221 HydrophobicContact CD2-CG 3.98Å; L210-I261 HydrophobicContact CD1-CG2 4.17Å; L210-A265 HydrophobicContact CD1-CB 3.93Å; L210-A265 HydrophobicContact CD2-CB 3.89Å; L210-I270 HydrophobicContact CB-CD1 4.37Å; L210-I270 HydrophobicContact CD2-CB 4.48Å; L210-I270 HydrophobicContact CD2-CD1 4Å; L210-I270 HydrophobicContact CD2-CG2 3.92Å; L210-I270 WeakPolarHBondContact O-CD1 3.44Å
211	E	98.4	Very high	98.7	Very high	37 Å²	37	15 Å²	15	17%	0.173	9%	0.091	C	C	.	.	H	α-helix	trans	-63.9	-46.8	172.1	175.9	173.2	157.8	0	0	111.6	Y74 K207 G208 N209 M213 G214 Q215 W268 F531	Y74-E211 HydrophobicContact CE2-CG 4.29Å; Y74-E211 WeakPolarHBondContact CE2-OE1 3.27Å; Y74-E211 PolarHBondContact OH-OE1 3.11Å; K207-E211 PolarHBondContact O-N 3.25Å; G208-E211 PolarHBondContact O-N 3.35Å; N209-E211 VanDerWaalsContact C-N 3.27Å; N209-E211 PolarHBondContact O-N 3.36Å; E211-M213 VanDerWaalsContact C-N 3.29Å; E211-M213 PolarHBondContact O-N 2.94Å; E211-G214 WeakPolarHBondContact O-CA 3.31Å; E211-G214 PolarHBondContact O-N 2.93Å; E211-Q215 WeakPolarHBondContact O-CG 3.4Å; E211-Q215 PolarHBondContact O-N 3.11Å; E211-Q215 PolarHBondContact OE1-NE2 3.4Å; E211-W268 HydrophobicContact CB-CH2 4.47Å; E211-W268 HydrophobicContact CB-CZ2 3.79Å; E211-W268 HydrophobicContact CG-CH2 3.78Å; E211-W268 HydrophobicContact CG-CZ2 3.5Å; E211-F531 HydrophobicContact CB-CZ 4.03Å; E211-F531 HydrophobicContact CG-CE2 3.96Å; E211-F531 HydrophobicContact CG-CZ 3.76Å; E211-F531 WeakPolarHBondContact OE1-CE2 3.37Å; E211-F531 WeakPolarHBondContact OE1-CZ 3.06Å
212	L	98.8	Very high	98.7	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-62.4	-35.5	175.3	-74.5	170.2	0	0	0	112.7	G208 N209 G214 Q215 N216 L489 W493 M526 F531	G208-L212 PolarHBondContact O-N 3.34Å; N209-L212 CarbonylContact O-C 3.52Å; N209-L212 PolarHBondContact O-N 3.12Å; N209-L212 VanDerWaalsContact O-N 3.15Å; L212-G214 VanDerWaalsContact C-N 3.35Å; L212-Q215 PolarHBondContact O-N 3.48Å; L212-N216 WeakPolarHBondContact O-CB 3.45Å; L212-N216 PolarHBondContact O-N 3.12Å; L212-N216 PolarHBondContact O-ND2 2.65Å; L212-L489 HydrophobicContact CD1-CD2 4.04Å; L212-W493 HydrophobicContact CB-CD2 4.12Å; L212-W493 HydrophobicContact CB-CH2 4.43Å; L212-W493 HydrophobicContact CB-CZ2 3.71Å; L212-W493 HydrophobicContact CD1-CD2 4.32Å; L212-W493 HydrophobicContact CD1-CG 3.84Å; L212-M526 HydrophobicContact CD2-CB 4.34Å; L212-M526 HydrophobicContact CD2-CG 3.91Å; L212-M526 HydrophobicContact CD2-SD 3.69Å; L212-F531 HydrophobicContact CD1-CB 3.97Å; L212-F531 HydrophobicContact CD1-CD1 3.56Å; L212-F531 HydrophobicContact CD1-CE1 4.18Å; L212-F531 HydrophobicContact CD1-CG 3.77Å; L212-F531 HydrophobicContact CD2-CB 3.78Å; L212-F531 HydrophobicContact CD2-CD1 4.13Å; L212-F531 HydrophobicContact CD2-CD2 3.61Å; L212-F531 HydrophobicContact CD2-CE2 4.24Å; L212-F531 HydrophobicContact CD2-CG 3.55Å; L212-F531 HydrophobicContact CG-CB 4.24Å; L212-F531 HydrophobicContact CG-CD1 3.74Å; L212-F531 HydrophobicContact CG-CD2 4.01Å; L212-F531 HydrophobicContact CG-CE1 4.04Å; L212-F531 HydrophobicContact CG-CE2 4.32Å; L212-F531 HydrophobicContact CG-CG 3.71Å; L212-F531 HydrophobicContact CG-CZ 4.32Å
213	M	98.9	Very high	98.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60	-45.2	170.5	-74.4	172.9	68.3	0	0	111.2	I192 N209 L210 E211 N216 K217 F218 V220 F221 I270 W493	I192-M213 HydrophobicContact CB-CE 4.17Å; I192-M213 HydrophobicContact CB-CG 4.45Å; I192-M213 HydrophobicContact CB-SD 4.09Å; I192-M213 HydrophobicContact CD1-CG 3.78Å; I192-M213 HydrophobicContact CG1-CE 4.37Å; I192-M213 HydrophobicContact CG1-CG 4.14Å; I192-M213 HydrophobicContact CG1-SD 4.4Å; N209-M213 WeakPolarHBondContact O-CG 3.29Å; N209-M213 PolarHBondContact O-N 3.49Å; L210-M213 HydrophobicContact CD2-SD 4.01Å; L210-M213 WeakPolarHBondContact O-CB 3.37Å; L210-M213 PolarHBondContact O-N 3.37Å; E211-M213 VanDerWaalsContact C-N 3.29Å; E211-M213 PolarHBondContact O-N 2.94Å; M213-N216 CarbonylContact O-C 3.55Å; M213-N216 PolarHBondContact O-N 2.96Å; M213-N216 VanDerWaalsContact O-N 3.14Å; M213-K217 PolarHBondContact O-N 3.29Å; M213-F218 HydrophobicContact CB-CB 3.86Å; M213-F218 HydrophobicContact CE-CB 3.99Å; M213-F218 HydrophobicContact CG-CB 4.1Å; M213-F218 PolarHBondContact O-N 2.99Å; M213-V220 VanDerWaalsContact CE-C 3.49Å; M213-V220 WeakPolarHBondContact CE-O 3.41Å; M213-F221 HydrophobicContact CE-CB 4.03Å; M213-F221 HydrophobicContact SD-CB 4.43Å; M213-I270 HydrophobicContact CB-CD1 3.58Å; M213-I270 HydrophobicContact CE-CD1 4.23Å; M213-I270 HydrophobicContact CE-CG2 3.84Å; M213-I270 HydrophobicContact SD-CD1 4.5Å; M213-W493 HydrophobicContact CG-CH2 4.43Å; M213-W493 HydrophobicContact CG-CZ2 4.13Å
214	G	98.5	Very high	98.7	Very high	4 Å²	4	11.1 Å²	11.1	4%	0.041	7%	0.065	C	C	.	.	H	α-helix	trans	-58.1	-46.3	174.4	0	0	0	0	0	112.7	L210 E211 L212 N216 K217	L210-G214 PolarHBondContact O-N 3.26Å; E211-G214 WeakPolarHBondContact O-CA 3.31Å; E211-G214 PolarHBondContact O-N 2.93Å; L212-G214 VanDerWaalsContact C-N 3.35Å; G214-N216 PolarHBondContact O-N 2.59Å; G214-K217 PolarHBondContact O-N 3.38Å; G214-K217 VanDerWaalsContact O-N 3.12Å
215	Q	98.2	Very high	98.8	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-62.7	-24.8	176.4	-64.6	179.6	40.2	0	0	113.5	Y74 E154 E211 L212 R529 F531	Y74-Q215 PolarHBondContact OH-NE2 3.08Å; Y74-Q215 VanDerWaalsContact OH-NE2 3.16Å; E154-Q215 WeakPolarHBondContact CG-O 3.42Å; E211-Q215 WeakPolarHBondContact O-CG 3.4Å; E211-Q215 PolarHBondContact O-N 3.11Å; E211-Q215 PolarHBondContact OE1-NE2 3.4Å; L212-Q215 PolarHBondContact O-N 3.48Å; Q215-R529 VanDerWaalsContact CD-NH1 3.27Å; Q215-R529 VanDerWaalsContact CG-NH1 3.29Å; Q215-F531 VanDerWaalsContact NE2-CE2 3.31Å
216	N	98.9	Very high	98.7	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	7.8	179.3	-72.7	-87.9	0	0	0	112.9	L212 M213 G214 F218 W493 S497 A500 H522	L212-N216 WeakPolarHBondContact O-CB 3.45Å; L212-N216 PolarHBondContact O-N 3.12Å; L212-N216 PolarHBondContact O-ND2 2.65Å; M213-N216 CarbonylContact O-C 3.55Å; M213-N216 PolarHBondContact O-N 2.96Å; M213-N216 VanDerWaalsContact O-N 3.14Å; G214-N216 PolarHBondContact O-N 2.59Å; N216-F218 HydrophobicContact CB-CD2 3.89Å; N216-F218 HydrophobicContact CB-CE2 4.25Å; N216-F218 PolarHBondContact O-N 2.82Å; N216-W493 HydrophobicContact CB-CH2 4.01Å; N216-W493 HydrophobicContact CB-CZ3 3.75Å; N216-W493 WeakPolarHBondContact ND2-CZ3 3.31Å; N216-S497 WeakPolarHBondContact OD1-CA 3.39Å; N216-S497 WeakPolarHBondContact OD1-CB 3.41Å; N216-S497 PolarHBondContact OD1-OG 3.33Å; N216-A500 HydrophobicContact CB-CB 4Å; N216-A500 WeakPolarHBondContact O-CB 3.13Å; N216-H522 PolarHBondContact OD1-NE2 3.13Å
217	K	98.8	Very high	98.6	Very high	1 Å²	1	5 Å²	5	0%	0.004	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	23.9	-179.8	-50.3	-171.5	173.9	84.2	0	114.9	R151 T155 R190 M213 G214 W504	R151-K217 HydrophobicContact CB-CD 4.21Å; R151-K217 WeakPolarHBondContact O-CE 3.14Å; T155-K217 VanDerWaalsContact OG1-CE 3.28Å; T155-K217 WeakPolarHBondContact OG1-CE 3.36Å; T155-K217 PolarHBondContact OG1-NZ 3.11Å; R190-K217 PolarHBondContact NE-O 2.58Å; R190-K217 PolarHBondContact NH2-O 2.86Å; M213-K217 PolarHBondContact O-N 3.29Å; G214-K217 PolarHBondContact O-N 3.38Å; G214-K217 VanDerWaalsContact O-N 3.12Å; K217-W504 HydrophobicContact CB-CD2 4.13Å; K217-W504 HydrophobicContact CB-CE3 3.5Å; K217-W504 HydrophobicContact CB-CZ3 3.77Å; K217-W504 HydrophobicContact CD-CD2 3.59Å; K217-W504 HydrophobicContact CD-CE3 3.66Å; K217-W504 HydrophobicContact CD-CG 4.37Å; K217-W504 HydrophobicContact CD-CH2 3.76Å; K217-W504 HydrophobicContact CD-CZ2 3.63Å; K217-W504 HydrophobicContact CD-CZ3 3.75Å; K217-W504 HydrophobicContact CG-CE3 4.23Å; K217-W504 HydrophobicContact CG-CZ3 4.33Å
218	F	98.9	Very high	98.4	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.023	C	C	.	.			trans	-67.2	149	163.8	-79.7	-82.8	0	0	0	109.7	R190 G191 I192 M213 N216 V476 W493 A496 V499 A500	R190-F218 HydrophobicContact CB-CD1 4.01Å; R190-F218 WeakPolarHBondContact O-CD1 3.34Å; G191-F218 VanDerWaalsContact O-CE1 3.31Å; G191-F218 WeakPolarHBondContact O-CE1 3.28Å; I192-F218 HydrophobicContact CD1-CD1 4.42Å; I192-F218 HydrophobicContact CD1-CD2 3.91Å; I192-F218 HydrophobicContact CD1-CE1 4.44Å; I192-F218 HydrophobicContact CD1-CE2 3.88Å; I192-F218 HydrophobicContact CD1-CG 4.19Å; I192-F218 HydrophobicContact CD1-CZ 4.17Å; I192-F218 HydrophobicContact CG1-CD1 3.75Å; I192-F218 HydrophobicContact CG1-CD2 4.13Å; I192-F218 HydrophobicContact CG1-CE1 3.85Å; I192-F218 HydrophobicContact CG1-CE2 4.18Å; I192-F218 HydrophobicContact CG1-CG 3.92Å; I192-F218 HydrophobicContact CG1-CZ 4.07Å; M213-F218 HydrophobicContact CB-CB 3.86Å; M213-F218 HydrophobicContact CE-CB 3.99Å; M213-F218 HydrophobicContact CG-CB 4.1Å; M213-F218 PolarHBondContact O-N 2.99Å; N216-F218 HydrophobicContact CB-CD2 3.89Å; N216-F218 HydrophobicContact CB-CE2 4.25Å; N216-F218 PolarHBondContact O-N 2.82Å; F218-V476 HydrophobicContact CE1-CG2 4.1Å; F218-V476 HydrophobicContact CZ-CG2 3.82Å; F218-W493 AromaticContact CD2-CH2 3.87Å; F218-W493 HydrophobicContact CD2-CH2 3.87Å; F218-W493 HydrophobicContact CD2-CZ3 4.42Å; F218-W493 AromaticContact CE2-CH2 3.9Å; F218-W493 HydrophobicContact CE2-CH2 3.9Å; F218-W493 HydrophobicContact CE2-CZ3 4.12Å; F218-A496 HydrophobicContact CE2-CB 4.36Å; F218-A496 WeakPolarHBondContact CE2-O 3.34Å; F218-A496 WeakPolarHBondContact CZ-O 3.36Å; F218-V499 HydrophobicContact CZ-CB 4.31Å; F218-V499 HydrophobicContact CZ-CG1 4.5Å; F218-A500 HydrophobicContact CD2-CB 3.8Å; F218-A500 HydrophobicContact CE2-CB 3.27Å; F218-A500 HydrophobicContact CZ-CB 3.72Å
219	N	98.9	Very high	98.1	Very high	1 Å²	1	5.3 Å²	5.3	1%	0.005	3%	0.03	C	C	.	.			trans	-134.5	0.3	-174.2	70.9	-7.7	0	0	0	114.9	M125 E127 P188 R190 I270 R271	M125-N219 HydrophobicContact CE-CB 3.36Å; M125-N219 WeakPolarHBondContact CE-ND2 3.34Å; E127-N219 PolarHBondContact OE2-ND2 3.46Å; P188-N219 PolarHBondContact O-ND2 3.31Å; R190-N219 PolarHBondContact N-OD1 3.27Å; R190-N219 PolarHBondContact NH1-ND2 2.97Å; R190-N219 PolarHBondContact NH2-ND2 3.41Å; R190-N219 PolarHBondContact O-N 3.45Å; R190-N219 PolarHBondContact O-OD1 3.42Å; N219-I270 WeakPolarHBondContact O-CA 3.44Å; N219-R271 WeakPolarHBondContact O-CB 3.39Å; N219-R271 PolarHBondContact O-N 2.9Å
220	V	98.9	Very high	98	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	122.7	172.9	-177.3	0	0	0	0	110.2	Y189 R190 G191 I192 M213 R271 V273	Y189-V220 HydrophobicContact CD1-CB 4.44Å; Y189-V220 HydrophobicContact CD1-CG2 4.18Å; Y189-V220 HydrophobicContact CD2-CG2 3.93Å; Y189-V220 HydrophobicContact CE1-CB 3.96Å; Y189-V220 HydrophobicContact CE1-CG1 4.02Å; Y189-V220 HydrophobicContact CE1-CG2 4.09Å; Y189-V220 HydrophobicContact CE2-CB 4.34Å; Y189-V220 HydrophobicContact CE2-CG1 4Å; Y189-V220 HydrophobicContact CE2-CG2 3.88Å; Y189-V220 HydrophobicContact CG-CG2 4.09Å; Y189-V220 WeakPolarHBondContact OH-CG1 3.23Å; R190-V220 PolarHBondContact O-N 3.09Å; G191-V220 CarbonylContact C-O 3.58Å; G191-V220 VanDerWaalsContact CA-O 3.23Å; G191-V220 WeakPolarHBondContact CA-O 3.46Å; I192-V220 PolarHBondContact N-O 3.34Å; M213-V220 VanDerWaalsContact CE-C 3.49Å; M213-V220 WeakPolarHBondContact CE-O 3.41Å; V220-R271 CarbonylContact C-O 3.16Å; V220-R271 WeakPolarHBondContact CA-O 3.44Å; V220-R271 HydrophobicContact CG2-CB 4.27Å; V220-V273 HydrophobicContact CG1-CB 3.98Å; V220-V273 HydrophobicContact CG1-CG2 3.59Å
221	F	98.9	Very high	98	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	105.1	164.1	174.5	-142.7	0	0	0	107.8	L194 I206 L210 M213 W223 I261 I270 R271 V272 V273	L194-F221 HydrophobicContact CB-CE2 3.84Å; L194-F221 HydrophobicContact CB-CZ 4.5Å; L194-F221 HydrophobicContact CD1-CE2 3.86Å; L194-F221 HydrophobicContact CD1-CZ 4.37Å; L194-F221 HydrophobicContact CG-CE2 3.81Å; I206-F221 HydrophobicContact CG2-CE1 3.76Å; I206-F221 HydrophobicContact CG2-CZ 3.86Å; L210-F221 HydrophobicContact CD2-CB 3.8Å; L210-F221 HydrophobicContact CD2-CD1 4.06Å; L210-F221 HydrophobicContact CD2-CG 3.98Å; M213-F221 HydrophobicContact CE-CB 4.03Å; M213-F221 HydrophobicContact SD-CB 4.43Å; F221-W223 HydrophobicContact CD1-CB 4.26Å; F221-W223 HydrophobicContact CE1-CB 3.72Å; F221-W223 AromaticContact CE1-CD2 3.72Å; F221-W223 HydrophobicContact CE1-CD2 3.72Å; F221-W223 AromaticContact CE1-CE3 3.81Å; F221-W223 HydrophobicContact CE1-CE3 3.81Å; F221-W223 AromaticContact CE1-CG 3.7Å; F221-W223 HydrophobicContact CE1-CG 3.7Å; F221-W223 HydrophobicContact CE2-CB 4.09Å; F221-W223 HydrophobicContact CE2-CG 4.32Å; F221-W223 HydrophobicContact CZ-CB 3.62Å; F221-W223 AromaticContact CZ-CD1 3.83Å; F221-W223 AromaticContact CZ-CD2 3.87Å; F221-W223 HydrophobicContact CZ-CD2 3.87Å; F221-W223 HydrophobicContact CZ-CE3 4.43Å; F221-W223 AromaticContact CZ-CG 3.48Å; F221-W223 HydrophobicContact CZ-CG 3.48Å; F221-W223 VanDerWaalsContact CZ-CG 3.48Å; F221-W223 PolarHBondContact O-N 3.25Å; F221-I261 HydrophobicContact CD1-CG2 4.43Å; F221-I261 HydrophobicContact CE1-CG2 4.05Å; F221-I270 HydrophobicContact CB-CG2 3.86Å; F221-R271 PolarHBondContact N-O 3.01Å; F221-V272 HydrophobicContact CD1-CG1 4.05Å; F221-V272 HydrophobicContact CD1-CG2 4.17Å; F221-V273 PolarHBondContact O-N 3.15Å
222	H	98.9	Very high	98	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	103.9	171.7	-179.4	165	0	0	0	107.1	I192 L193 L194 H224 V273 E275 H340 W396 T475	I192-H222 PolarHBondContact O-N 2.72Å; L193-H222 VanDerWaalsContact CA-O 3.23Å; L193-H222 WeakPolarHBondContact CA-O 3.37Å; L193-H222 HydrophobicContact CB-CB 4Å; L194-H222 PolarHBondContact N-O 2.69Å; L194-H222 VanDerWaalsContact N-O 3.11Å; H222-H224 PolarHBondContact O-N 3.44Å; H222-V273 CarbonylContact C-O 3.59Å; H222-V273 WeakPolarHBondContact CA-O 3.46Å; H222-E275 IonicContact CD2-OE2 2.84Å; H222-E275 IonicContact CE1-OE2 3.54Å; H222-E275 IonicContact NE2-OE2 2.7Å; H222-E275 PolarHBondContact NE2-OE2 2.93Å; H222-H340 AromaticContact CE1-CD2 3.37Å; H222-H340 PolarHBondContact CE1-CD2 2.75Å; H222-H340 AromaticContact CE1-CG 3.83Å; H222-H340 AromaticContact CE1-NE2 3.77Å; H222-H340 AromaticContact NE2-CD2 3.82Å; H222-H340 AromaticContact NE2-CG 3.81Å; H222-W396 AromaticContact CE1-CZ2 3.86Å; H222-T475 HydrophobicContact CB-CG2 4.37Å
223	W	98.9	Very high	98	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	95.8	-177	-167	-2.3	0	0	0	110.2	T196 I206 F221 I225 Y253 V258 I261 V272 V273 E275 F334	T196-W223 VanDerWaalsContact CG2-NE1 3.34Å; T196-W223 PolarHBondContact OG1-NE1 3.3Å; I206-W223 HydrophobicContact CD1-CZ2 4.05Å; F221-W223 HydrophobicContact CD1-CB 4.26Å; F221-W223 HydrophobicContact CE1-CB 3.72Å; F221-W223 AromaticContact CE1-CD2 3.72Å; F221-W223 HydrophobicContact CE1-CD2 3.72Å; F221-W223 AromaticContact CE1-CE3 3.81Å; F221-W223 HydrophobicContact CE1-CE3 3.81Å; F221-W223 AromaticContact CE1-CG 3.7Å; F221-W223 HydrophobicContact CE1-CG 3.7Å; F221-W223 HydrophobicContact CE2-CB 4.09Å; F221-W223 HydrophobicContact CE2-CG 4.32Å; F221-W223 HydrophobicContact CZ-CB 3.62Å; F221-W223 AromaticContact CZ-CD1 3.83Å; F221-W223 AromaticContact CZ-CD2 3.87Å; F221-W223 HydrophobicContact CZ-CD2 3.87Å; F221-W223 HydrophobicContact CZ-CE3 4.43Å; F221-W223 AromaticContact CZ-CG 3.48Å; F221-W223 HydrophobicContact CZ-CG 3.48Å; F221-W223 VanDerWaalsContact CZ-CG 3.48Å; F221-W223 PolarHBondContact O-N 3.25Å; W223-I225 VanDerWaalsContact C-N 3.31Å; W223-I225 HydrophobicContact CD2-CB 4.32Å; W223-I225 HydrophobicContact CD2-CD1 4.04Å; W223-I225 HydrophobicContact CD2-CG1 4.31Å; W223-I225 HydrophobicContact CE3-CD1 4.34Å; W223-I225 HydrophobicContact CG-CB 4.12Å; W223-I225 HydrophobicContact CH2-CD1 3.91Å; W223-I225 HydrophobicContact CZ2-CD1 3.58Å; W223-I225 HydrophobicContact CZ2-CG1 3.96Å; W223-I225 HydrophobicContact CZ3-CD1 4.29Å; W223-I225 PolarHBondContact O-N 2.96Å; W223-Y253 HydrophobicContact CH2-CD1 4.33Å; W223-Y253 HydrophobicContact CH2-CD2 4.44Å; W223-Y253 HydrophobicContact CH2-CG 4.18Å; W223-Y253 HydrophobicContact CZ2-CD1 4.01Å; W223-Y253 AromaticContact CZ2-CD2 3.7Å; W223-Y253 HydrophobicContact CZ2-CD2 3.7Å; W223-Y253 HydrophobicContact CZ2-CE1 4.05Å; W223-Y253 AromaticContact CZ2-CE2 3.76Å; W223-Y253 HydrophobicContact CZ2-CE2 3.76Å; W223-Y253 AromaticContact CZ2-CG 3.82Å; W223-Y253 HydrophobicContact CZ2-CG 3.82Å; W223-Y253 AromaticContact CZ2-CZ 3.92Å; W223-V258 HydrophobicContact CH2-CG2 4.04Å; W223-V258 HydrophobicContact CZ3-CG1 4.24Å; W223-V258 HydrophobicContact CZ3-CG2 4.26Å; W223-I261 HydrophobicContact CE3-CG2 4.33Å; W223-I261 HydrophobicContact CH2-CD1 3.43Å; W223-I261 VanDerWaalsContact CH2-CD1 3.43Å; W223-I261 HydrophobicContact CH2-CG2 4.47Å; W223-I261 HydrophobicContact CZ2-CD1 4.08Å; W223-I261 HydrophobicContact CZ3-CB 4.22Å; W223-I261 HydrophobicContact CZ3-CD1 3.96Å; W223-I261 HydrophobicContact CZ3-CG2 3.91Å; W223-V272 HydrophobicContact CE3-CG1 4.14Å; W223-V273 PolarHBondContact N-O 3.18Å; W223-E275 PolarHBondContact O-N 2.7Å; W223-F334 HydrophobicContact CE3-CE1 4.16Å; W223-F334 HydrophobicContact CZ3-CE1 4.3Å
224	H	98.9	Very high	98	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	86.4	169.8	-171.6	99.1	0	0	0	108.7	L193 L194 D195 T196 H222 V226 D227 E275 W479	L193-H224 HydrophobicContact CD1-CB 4.42Å; L193-H224 HydrophobicContact CD2-CB 4.15Å; L193-H224 HydrophobicContact CG-CB 4.16Å; L194-H224 PolarHBondContact O-N 3.35Å; L194-H224 VanDerWaalsContact O-N 3.1Å; D195-H224 IonicContact OD1-CD2 3.69Å; T196-H224 PolarHBondContact N-O 2.6Å; T196-H224 PolarHBondContact OG1-O 2.82Å; H222-H224 PolarHBondContact O-N 3.44Å; H224-V226 PolarHBondContact NE2-O 3.15Å; H224-D227 IonicContact CE1-OD2 2.82Å; H224-D227 IonicContact NE2-OD2 2.83Å; H224-D227 PolarHBondContact NE2-OD2 2.58Å; H224-E275 IonicContact CE1-OE2 3.95Å; H224-E275 IonicContact CG-OE2 2.75Å; H224-E275 IonicContact ND1-OE1 3.05Å; H224-E275 IonicContact ND1-OE2 2.98Å; H224-E275 PolarHBondContact ND1-OE2 2.84Å; H224-W479 HydrophobicContact CB-CZ3 4.42Å; H224-W479 AromaticContact CE1-CZ3 3.82Å; H224-W479 AromaticContact CG-CZ3 3.8Å; H224-W479 AromaticContact ND1-CZ3 3.63Å
225	I	98.8	Very high	98	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-26.6	-161.3	-168.5	170.2	0	0	0	113.2	T196 W223 P232 Y233 Y253 V274 E275 F276 F334	T196-I225 WeakPolarHBondContact OG1-CA 3.07Å; T196-I225 PolarHBondContact OG1-O 2.88Å; W223-I225 VanDerWaalsContact C-N 3.31Å; W223-I225 HydrophobicContact CD2-CB 4.32Å; W223-I225 HydrophobicContact CD2-CD1 4.04Å; W223-I225 HydrophobicContact CD2-CG1 4.31Å; W223-I225 HydrophobicContact CE3-CD1 4.34Å; W223-I225 HydrophobicContact CG-CB 4.12Å; W223-I225 HydrophobicContact CH2-CD1 3.91Å; W223-I225 HydrophobicContact CZ2-CD1 3.58Å; W223-I225 HydrophobicContact CZ2-CG1 3.96Å; W223-I225 HydrophobicContact CZ3-CD1 4.29Å; W223-I225 PolarHBondContact O-N 2.96Å; I225-P232 VanDerWaalsContact O-CD 3.28Å; I225-P232 WeakPolarHBondContact O-CD 3.22Å; I225-P232 WeakPolarHBondContact O-CG 3.47Å; I225-Y233 HydrophobicContact CD1-CD2 4.13Å; I225-Y233 HydrophobicContact CD1-CG 4.31Å; I225-Y253 HydrophobicContact CD1-CD2 4.14Å; I225-Y253 HydrophobicContact CG1-CD2 4.07Å; I225-Y253 HydrophobicContact CG1-CE2 4.34Å; I225-V274 HydrophobicContact CB-CG2 4.33Å; I225-V274 HydrophobicContact CG2-CG2 3.59Å; I225-E275 WeakPolarHBondContact CG2-O 3.41Å; I225-F276 HydrophobicContact CG2-CD1 3.92Å; I225-F276 HydrophobicContact CG2-CE1 3.38Å; I225-F276 HydrophobicContact CG2-CZ 3.79Å; I225-F334 HydrophobicContact CD1-CZ 4.24Å
226	V	98.4	Very high	97.9	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	152.2	-178.9	-61.2	0	0	0	0	109.7	H224 F231 F276 W285	H224-V226 PolarHBondContact NE2-O 3.15Å; V226-F231 HydrophobicContact CB-CD2 3.93Å; V226-F231 HydrophobicContact CB-CE2 4.12Å; V226-F231 HydrophobicContact CB-CG 4.46Å; V226-F231 HydrophobicContact CG1-CB 4.46Å; V226-F231 HydrophobicContact CG1-CD1 4.05Å; V226-F231 HydrophobicContact CG1-CD2 3.63Å; V226-F231 HydrophobicContact CG1-CE1 4.13Å; V226-F231 HydrophobicContact CG1-CE2 3.72Å; V226-F231 HydrophobicContact CG1-CG 3.8Å; V226-F231 HydrophobicContact CG1-CZ 3.96Å; V226-F231 HydrophobicContact CG2-CD2 4.43Å; V226-F231 HydrophobicContact CG2-CE2 4.17Å; V226-F276 HydrophobicContact CG1-CE1 4.44Å; V226-F276 HydrophobicContact CG2-CD1 3.65Å; V226-F276 HydrophobicContact CG2-CE1 4.25Å; V226-W285 HydrophobicContact CG2-CZ2 3.63Å
227	D	96.8	Very high	97.8	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.088	C	C	.	.			trans	-162.8	-168.2	178.9	-161.2	-88.7	0	0	0	108	S197 R198 H224 T229 S230 H281 S284	S197-D227 VanDerWaalsContact CB-CB 3.43Å; S197-D227 VanDerWaalsContact CB-N 3.25Å; S197-D227 WeakPolarHBondContact OG-CA 3.44Å; S197-D227 VanDerWaalsContact OG-CB 3.28Å; S197-D227 WeakPolarHBondContact OG-CB 3.34Å; S197-D227 PolarHBondContact OG-N 3.21Å; R198-D227 IonicContact CZ-OD1 3.27Å; R198-D227 IonicContact CZ-OD2 3.23Å; R198-D227 IonicContact NE-OD1 3.73Å; R198-D227 PolarHBondContact NE-OD1 2.87Å; R198-D227 IonicContact NE-OD2 2.73Å; R198-D227 PolarHBondContact NE-OD2 2.98Å; R198-D227 IonicContact NH1-OD2 3.49Å; R198-D227 IonicContact NH2-OD1 2.95Å; R198-D227 PolarHBondContact NH2-OD1 2.72Å; R198-D227 IonicContact NH2-OD2 3.36Å; R198-D227 PolarHBondContact NH2-OD2 3.23Å; H224-D227 IonicContact CE1-OD2 2.82Å; H224-D227 IonicContact NE2-OD2 2.83Å; H224-D227 PolarHBondContact NE2-OD2 2.58Å; D227-T229 PolarHBondContact O-N 2.85Å; D227-S230 PolarHBondContact N-O 3.24Å; D227-H281 CarbonylContact C-O 3.54Å; D227-H281 VanDerWaalsContact CA-O 3.28Å; D227-H281 WeakPolarHBondContact CA-O 3.38Å; D227-H281 IonicContact OD1-CG 2.78Å; D227-H281 IonicContact OD1-ND1 2.78Å; D227-H281 PolarHBondContact OD1-ND1 3.05Å; D227-H281 WeakPolarHBondContact OD2-CB 3.3Å; D227-H281 IonicContact OD2-CG 2.77Å; D227-H281 IonicContact OD2-ND1 3.96Å; D227-H281 PolarHBondContact OD2-ND1 3.03Å; D227-S284 VanDerWaalsContact O-CB 3.23Å; D227-S284 WeakPolarHBondContact O-CB 3.16Å; D227-S284 PolarHBondContact O-OG 2.95Å
228	D	93.1	Very high	97.6	Very high	19 Å²	19	19 Å²	19	10%	0.102	10%	0.095	C	C	.	.	S	Bend	trans	-55.3	-42.9	179.9	-74.9	-46	0	0	0	114.4	H281 V282 L283 S284 T309 G310	D228-H281 PolarHBondContact N-O 2.98Å; D228-H281 WeakPolarHBondContact OD1-CA 3.47Å; D228-H281 WeakPolarHBondContact OD2-CA 3.43Å; D228-H281 IonicContact OD2-CG 2.83Å; D228-H281 IonicContact OD2-ND1 2.81Å; D228-H281 PolarHBondContact OD2-ND1 3.43Å; D228-H281 VanDerWaalsContact OD2-ND1 3.15Å; D228-V282 PolarHBondContact OD1-N 2.87Å; D228-V282 VanDerWaalsContact OD1-N 3.11Å; D228-L283 HydrophobicContact CB-CB 3.96Å; D228-L283 HydrophobicContact CB-CD1 4.1Å; D228-L283 HydrophobicContact CB-CG 4.21Å; D228-L283 WeakPolarHBondContact O-CB 3.5Å; D228-L283 WeakPolarHBondContact OD1-CB 3.44Å; D228-L283 VanDerWaalsContact OD1-CG 3.3Å; D228-L283 WeakPolarHBondContact OD1-CG 3.5Å; D228-L283 PolarHBondContact OD1-N 2.9Å; D228-S284 WeakPolarHBondContact O-CB 3.46Å; D228-S284 PolarHBondContact O-N 2.83Å; D228-S284 VanDerWaalsContact O-N 3.07Å; D228-T309 VanDerWaalsContact OD2-CA 3.28Å; D228-T309 WeakPolarHBondContact OD2-CA 3.24Å; D228-G310 PolarHBondContact OD1-N 3.46Å
229	T	92.8	Very high	97.6	Very high	48 Å²	48	21 Å²	21	29%	0.294	11%	0.108	S	C	.	.	S	Bend	trans	-76.3	-35.3	-169.9	47.6	0	0	0	0	113.3	S197 R198 D227 M306	S197-T229 PolarHBondContact O-OG1 3.32Å; S197-T229 PolarHBondContact OG-OG1 3.49Å; R198-T229 WeakPolarHBondContact CA-OG1 3.35Å; R198-T229 PolarHBondContact N-OG1 3.07Å; D227-T229 PolarHBondContact O-N 2.85Å; T229-M306 HydrophobicContact CG2-CE 4.42Å
230	S	97.1	Very high	97.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.			trans	-156.3	152.9	176.5	76.8	0	0	0	0	115.5	S197 D227 P232 G245 F247 S284	S197-S230 WeakPolarHBondContact CA-OG 3.32Å; S197-S230 PolarHBondContact O-OG 3.2Å; S197-S230 PolarHBondContact OG-N 3.24Å; S197-S230 VanDerWaalsContact OG-N 3.08Å; S197-S230 PolarHBondContact OG-O 3.3Å; D227-S230 PolarHBondContact N-O 3.24Å; S230-P232 VanDerWaalsContact C-CD 3.46Å; S230-P232 VanDerWaalsContact O-CD 3.3Å; S230-P232 WeakPolarHBondContact O-CD 3.37Å; S230-G245 CarbonylContact C-O 3.48Å; S230-G245 WeakPolarHBondContact CA-O 3.48Å; S230-F247 WeakPolarHBondContact OG-CE2 3.45Å; S230-S284 PolarHBondContact O-OG 2.86Å
231	F	98.4	Very high	97.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.			trans	-113.9	78.4	173.3	-158.9	-76.5	0	0	0	110.2	V226 Y233 L241 S242 G245 A246 S284 W285 F326	V226-F231 HydrophobicContact CB-CD2 3.93Å; V226-F231 HydrophobicContact CB-CE2 4.12Å; V226-F231 HydrophobicContact CB-CG 4.46Å; V226-F231 HydrophobicContact CG1-CB 4.46Å; V226-F231 HydrophobicContact CG1-CD1 4.05Å; V226-F231 HydrophobicContact CG1-CD2 3.63Å; V226-F231 HydrophobicContact CG1-CE1 4.13Å; V226-F231 HydrophobicContact CG1-CE2 3.72Å; V226-F231 HydrophobicContact CG1-CG 3.8Å; V226-F231 HydrophobicContact CG1-CZ 3.96Å; V226-F231 HydrophobicContact CG2-CD2 4.43Å; V226-F231 HydrophobicContact CG2-CE2 4.17Å; F231-Y233 WeakPolarHBondContact CD1-O 3.44Å; F231-Y233 AromaticContact CE1-CD1 3.95Å; F231-Y233 HydrophobicContact CE1-CD1 3.95Å; F231-Y233 HydrophobicContact CE1-CG 4.46Å; F231-Y233 WeakPolarHBondContact CE1-O 3.39Å; F231-Y233 HydrophobicContact CZ-CD1 4.21Å; F231-L241 HydrophobicContact CD1-CB 3.59Å; F231-L241 HydrophobicContact CD2-CB 4.48Å; F231-L241 HydrophobicContact CE1-CB 3.48Å; F231-L241 VanDerWaalsContact CE1-CB 3.48Å; F231-L241 HydrophobicContact CE1-CD1 3.95Å; F231-L241 HydrophobicContact CE1-CG 4.28Å; F231-L241 HydrophobicContact CE2-CB 4.39Å; F231-L241 HydrophobicContact CE2-CD1 4.3Å; F231-L241 HydrophobicContact CE2-CD2 4.43Å; F231-L241 HydrophobicContact CG-CB 4.12Å; F231-L241 HydrophobicContact CZ-CB 3.93Å; F231-L241 HydrophobicContact CZ-CD1 3.67Å; F231-L241 HydrophobicContact CZ-CG 4.25Å; F231-S242 VanDerWaalsContact O-CA 3.28Å; F231-S242 WeakPolarHBondContact O-CA 3.44Å; F231-S242 WeakPolarHBondContact O-CB 3.36Å; F231-G245 PolarHBondContact N-O 3.22Å; F231-A246 WeakPolarHBondContact O-CB 3.15Å; F231-A246 PolarHBondContact O-N 2.92Å; F231-S284 PolarHBondContact N-OG 3.22Å; F231-W285 AromaticContact CD2-CD1 3.75Å; F231-W285 HydrophobicContact CD2-CD2 4.04Å; F231-W285 AromaticContact CD2-CG 3.85Å; F231-W285 HydrophobicContact CD2-CG 3.85Å; F231-W285 AromaticContact CD2-NE1 3.94Å; F231-W285 AromaticContact CE2-CD1 3.98Å; F231-W285 AromaticContact CE2-CD2 3.51Å; F231-W285 HydrophobicContact CE2-CD2 3.51Å; F231-W285 AromaticContact CE2-CE2 3.56Å; F231-W285 AromaticContact CE2-CE3 3.9Å; F231-W285 HydrophobicContact CE2-CE3 3.9Å; F231-W285 AromaticContact CE2-CG 3.83Å; F231-W285 HydrophobicContact CE2-CG 3.83Å; F231-W285 HydrophobicContact CE2-CH2 4.34Å; F231-W285 HydrophobicContact CE2-CZ2 4.01Å; F231-W285 HydrophobicContact CE2-CZ3 4.28Å; F231-W285 AromaticContact CE2-NE1 3.86Å; F231-F326 AromaticContact CZ-CE2 3.75Å; F231-F326 HydrophobicContact CZ-CE2 3.75Å; F231-F326 HydrophobicContact CZ-CZ 4.01Å
232	P	98.7	Very high	97.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.124	C	C	.	.			trans	-76.9	-19.6	-176.8	31	-38.6	0	0	0	113.7	F200 I225 S230 E234 H251 T252 Y253	F200-P232 HydrophobicContact CD2-CB 4.1Å; F200-P232 HydrophobicContact CE2-CB 4.46Å; I225-P232 VanDerWaalsContact O-CD 3.28Å; I225-P232 WeakPolarHBondContact O-CD 3.22Å; I225-P232 WeakPolarHBondContact O-CG 3.47Å; S230-P232 VanDerWaalsContact C-CD 3.46Å; S230-P232 VanDerWaalsContact O-CD 3.3Å; S230-P232 WeakPolarHBondContact O-CD 3.37Å; P232-E234 PolarHBondContact O-N 3.22Å; P232-H251 WeakPolarHBondContact CB-O 3.23Å; P232-T252 CarbonylContact O-C 3.41Å; P232-T252 WeakPolarHBondContact O-CA 3.34Å; P232-T252 WeakPolarHBondContact O-CB 3.28Å; P232-Y253 HydrophobicContact CB-CD2 3.75Å; P232-Y253 HydrophobicContact CB-CE2 3.79Å; P232-Y253 HydrophobicContact CG-CD2 3.92Å; P232-Y253 HydrophobicContact CG-CE2 3.75Å; P232-Y253 PolarHBondContact O-N 2.69Å
233	Y	98.6	Very high	97.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-67.2	122.1	-178.3	171.1	-117.1	0	0	0	112.4	I225 F231 S235 S242 V258 F276 F326 E329 L333 F334	I225-Y233 HydrophobicContact CD1-CD2 4.13Å; I225-Y233 HydrophobicContact CD1-CG 4.31Å; F231-Y233 WeakPolarHBondContact CD1-O 3.44Å; F231-Y233 AromaticContact CE1-CD1 3.95Å; F231-Y233 HydrophobicContact CE1-CD1 3.95Å; F231-Y233 HydrophobicContact CE1-CG 4.46Å; F231-Y233 WeakPolarHBondContact CE1-O 3.39Å; F231-Y233 HydrophobicContact CZ-CD1 4.21Å; Y233-S235 PolarHBondContact O-N 3.39Å; Y233-S242 WeakPolarHBondContact O-CB 3.08Å; Y233-V258 HydrophobicContact CD2-CG2 4.28Å; Y233-V258 HydrophobicContact CE2-CG2 4.4Å; Y233-F276 AromaticContact CD1-CE1 3.81Å; Y233-F276 HydrophobicContact CD1-CE1 3.81Å; Y233-F276 AromaticContact CD1-CZ 3.9Å; Y233-F276 HydrophobicContact CD1-CZ 3.9Å; Y233-F276 HydrophobicContact CE1-CE1 4.41Å; Y233-F276 HydrophobicContact CE1-CZ 4.12Å; Y233-F276 HydrophobicContact CG-CE1 4.18Å; Y233-F276 HydrophobicContact CG-CZ 4.22Å; Y233-F326 AromaticContact CD1-CE2 3.93Å; Y233-F326 HydrophobicContact CD1-CE2 3.93Å; Y233-F326 HydrophobicContact CD1-CZ 4.04Å; Y233-F326 AromaticContact CE1-CE2 3.77Å; Y233-F326 HydrophobicContact CE1-CE2 3.77Å; Y233-F326 HydrophobicContact CE1-CZ 4.02Å; Y233-E329 PolarHBondContact OH-OE1 3.07Å; Y233-E329 VanDerWaalsContact OH-OE1 3.14Å; Y233-L333 HydrophobicContact CE2-CD2 3.83Å; Y233-F334 HydrophobicContact CE2-CE2 4.11Å
234	E	98.3	Very high	97.3	Very high	64 Å²	64	38.5 Å²	38.5	30%	0.299	18%	0.181	S	C	.	.			trans	-85.7	99.8	178	-61.4	-172	170	0	0	112.6	P232 T252 Y253 S254	P232-E234 PolarHBondContact O-N 3.22Å; E234-T252 HydrophobicContact CG-CG2 4.33Å; E234-T252 WeakPolarHBondContact OE1-CB 3.15Å; E234-T252 PolarHBondContact OE1-OG1 2.87Å; E234-Y253 WeakPolarHBondContact CB-O 3.28Å; E234-Y253 WeakPolarHBondContact CG-O 3.24Å; E234-Y253 PolarHBondContact N-O 2.82Å; E234-S254 WeakPolarHBondContact OE2-CA 3.45Å; E234-S254 WeakPolarHBondContact OE2-CB 3.4Å
235	S	97.9	Very high	97.2	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.028	19%	0.185	C	C	.	.			trans	-73.3	133.6	166.1	-179.1	0	0	0	0	111.2	Y233 L237 I238 P239 E329	Y233-S235 PolarHBondContact O-N 3.39Å; S235-L237 PolarHBondContact OG-N 2.94Å; S235-I238 PolarHBondContact OG-N 3.3Å; S235-P239 VanDerWaalsContact O-CA 3.27Å; S235-P239 WeakPolarHBondContact O-CA 3.28Å; S235-E329 WeakPolarHBondContact CA-OE1 3.45Å; S235-E329 WeakPolarHBondContact CB-OE1 3.31Å; S235-E329 PolarHBondContact OG-OE1 3.25Å; S235-E329 PolarHBondContact OG-OE2 2.88Å
236	K	97.1	Very high	97.2	Very high	134 Å²	134	39.7 Å²	39.7	58%	0.583	19%	0.191	S	C	*	.	S	Bend	trans	-81.6	-33.5	172.2	-73.8	179.5	-179.2	158.3	0	111.7	Q255 E329	K236-Q255 HydrophobicContact CD-CG 4.45Å; K236-Q255 VanDerWaalsContact CD-OE1 3.26Å; K236-Q255 VanDerWaalsContact CE-CD 3.5Å; K236-Q255 HydrophobicContact CG-CG 4.38Å; K236-E329 VanDerWaalsContact CA-OE2 3.31Å; K236-E329 WeakPolarHBondContact CA-OE2 3.14Å; K236-E329 VanDerWaalsContact CB-OE2 3.3Å; K236-E329 WeakPolarHBondContact CB-OE2 3.22Å; K236-E329 PolarHBondContact N-OE1 3.08Å; K236-E329 PolarHBondContact N-OE2 3.08Å
237	L	96.3	Very high	97.2	Very high	101 Å²	101	44.7 Å²	44.7	53%	0.529	21%	0.213	S	C	.	.	S	Bend	trans	-71.8	-35.3	175.4	-65.5	-173.4	0	0	0	111.9	S235 E329	S235-L237 PolarHBondContact OG-N 2.94Å; L237-E329 HydrophobicContact CD1-CB 3.9Å; L237-E329 HydrophobicContact CG-CB 4.27Å; L237-E329 PolarHBondContact N-OE2 2.9Å
238	I	96.1	Very high	97.2	Very high	28 Å²	28	46.8 Å²	46.8	14%	0.144	23%	0.228	C	C	.	.			trans	-131.6	66.2	-175	-36.7	-179.8	0	0	0	110.5	S235 E240 L241 V289 F322 F326	S235-I238 PolarHBondContact OG-N 3.3Å; I238-E240 PolarHBondContact O-N 3.37Å; I238-L241 HydrophobicContact CB-CD1 3.88Å; I238-L241 HydrophobicContact CB-CG 4.18Å; I238-L241 HydrophobicContact CD1-CD1 4.48Å; I238-L241 HydrophobicContact CG2-CD1 4.07Å; I238-L241 HydrophobicContact CG2-CG 3.89Å; I238-L241 PolarHBondContact O-N 2.82Å; I238-L241 VanDerWaalsContact O-N 3.14Å; I238-V289 HydrophobicContact CG2-CG2 4.16Å; I238-F322 HydrophobicContact CD1-CD2 3.48Å; I238-F322 VanDerWaalsContact CD1-CD2 3.48Å; I238-F322 HydrophobicContact CD1-CE2 3.29Å; I238-F322 HydrophobicContact CD1-CZ 4.2Å; I238-F322 HydrophobicContact CG1-CE2 4.5Å; I238-F322 HydrophobicContact CG2-CE2 4.14Å; I238-F326 HydrophobicContact CD1-CB 4.34Å
239	P	97.1	Very high	97.4	Very high	42 Å²	42	51.4 Å²	51.4	27%	0.273	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.2	-173.1	27.4	-36.7	0	0	0	113.7	S235 L241 R243	S235-P239 VanDerWaalsContact O-CA 3.27Å; S235-P239 WeakPolarHBondContact O-CA 3.28Å; P239-L241 PolarHBondContact O-N 3.35Å; P239-R243 WeakPolarHBondContact O-CB 3.28Å; P239-R243 WeakPolarHBondContact O-CD 3.49Å; P239-R243 WeakPolarHBondContact O-CG 3.44Å; P239-R243 PolarHBondContact O-N 2.96Å; P239-R243 VanDerWaalsContact O-N 3.13Å
240	E	97.1	Very high	97.6	Very high	61 Å²	61	53.1 Å²	53.1	29%	0.285	28%	0.276	S	S	.	.	H	α-helix	trans	-65.9	-23.6	177.8	-62.3	-59.5	116.5	0	0	112.8	I238 R243 K244 G288	I238-E240 PolarHBondContact O-N 3.37Å; E240-R243 WeakPolarHBondContact OE1-CD 3.49Å; E240-R243 IonicContact OE1-CZ 3.9Å; E240-R243 IonicContact OE1-NH1 3.31Å; E240-R243 PolarHBondContact OE1-NH1 2.8Å; E240-K244 WeakPolarHBondContact O-CB 3.49Å; E240-K244 PolarHBondContact O-N 3.12Å; E240-K244 VanDerWaalsContact O-N 3.11Å; E240-K244 WeakPolarHBondContact OE2-CE 3.47Å; E240-K244 IonicContact OE2-NZ 3.97Å; E240-K244 PolarHBondContact OE2-NZ 2.81Å; E240-G288 VanDerWaalsContact O-CA 3.28Å; E240-G288 WeakPolarHBondContact O-CA 2.98Å
241	L	98	Very high	97.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.7	-57.3	176.8	-67.7	171.2	0	0	0	111.1	F231 I238 P239 G245 V289 F322 F326	F231-L241 HydrophobicContact CD1-CB 3.59Å; F231-L241 HydrophobicContact CD2-CB 4.48Å; F231-L241 HydrophobicContact CE1-CB 3.48Å; F231-L241 VanDerWaalsContact CE1-CB 3.48Å; F231-L241 HydrophobicContact CE1-CD1 3.95Å; F231-L241 HydrophobicContact CE1-CG 4.28Å; F231-L241 HydrophobicContact CE2-CB 4.39Å; F231-L241 HydrophobicContact CE2-CD1 4.3Å; F231-L241 HydrophobicContact CE2-CD2 4.43Å; F231-L241 HydrophobicContact CG-CB 4.12Å; F231-L241 HydrophobicContact CZ-CB 3.93Å; F231-L241 HydrophobicContact CZ-CD1 3.67Å; F231-L241 HydrophobicContact CZ-CG 4.25Å; I238-L241 HydrophobicContact CB-CD1 3.88Å; I238-L241 HydrophobicContact CB-CG 4.18Å; I238-L241 HydrophobicContact CD1-CD1 4.48Å; I238-L241 HydrophobicContact CG2-CD1 4.07Å; I238-L241 HydrophobicContact CG2-CG 3.89Å; I238-L241 PolarHBondContact O-N 2.82Å; I238-L241 VanDerWaalsContact O-N 3.14Å; P239-L241 PolarHBondContact O-N 3.35Å; L241-G245 WeakPolarHBondContact O-CA 3.05Å; L241-G245 PolarHBondContact O-N 3.14Å; L241-V289 HydrophobicContact CD2-CG2 3.93Å; L241-F322 HydrophobicContact CD1-CE2 4.11Å; L241-F322 HydrophobicContact CD1-CZ 3.95Å; L241-F322 HydrophobicContact CD2-CE2 4.16Å; L241-F322 HydrophobicContact CD2-CZ 3.95Å; L241-F322 HydrophobicContact CG-CE2 4.49Å; L241-F322 HydrophobicContact CG-CZ 4.5Å; L241-F326 HydrophobicContact CD1-CD2 3.91Å; L241-F326 HydrophobicContact CD1-CE2 3.99Å
242	S	98.1	Very high	97.7	Very high	10 Å²	10	57.5 Å²	57.5	7%	0.07	30%	0.298	C	S	.	.	H	α-helix	trans	-76	-36.1	178	60	0	0	0	0	113.3	F231 Y233 K244 A246	F231-S242 VanDerWaalsContact O-CA 3.28Å; F231-S242 WeakPolarHBondContact O-CA 3.44Å; F231-S242 WeakPolarHBondContact O-CB 3.36Å; Y233-S242 WeakPolarHBondContact O-CB 3.08Å; S242-K244 PolarHBondContact O-N 2.9Å; S242-K244 VanDerWaalsContact O-N 3.17Å; S242-A246 WeakPolarHBondContact O-CB 3.35Å; S242-A246 PolarHBondContact O-N 3.07Å
243	R	98	Very high	97.7	Very high	176 Å²	176	57.5 Å²	57.5	66%	0.664	30%	0.298	S	S	*	.	H	α-helix	trans	-58.9	-31	179.5	-76.2	173.5	178.9	174.5	0.4	113.6	P239 E240	P239-R243 WeakPolarHBondContact O-CB 3.28Å; P239-R243 WeakPolarHBondContact O-CD 3.49Å; P239-R243 WeakPolarHBondContact O-CG 3.44Å; P239-R243 PolarHBondContact O-N 2.96Å; P239-R243 VanDerWaalsContact O-N 3.13Å; E240-R243 WeakPolarHBondContact OE1-CD 3.49Å; E240-R243 IonicContact OE1-CZ 3.9Å; E240-R243 IonicContact OE1-NH1 3.31Å; E240-R243 PolarHBondContact OE1-NH1 2.8Å
244	K	97.7	Very high	97.7	Very high	120 Å²	120	58.9 Å²	58.9	52%	0.522	31%	0.308	S	S	.	.	H	α-helix	trans	-112.6	-23.8	-178.7	-64.7	178.5	175.7	147.4	0	113.7	E240 S242 A287	E240-K244 WeakPolarHBondContact O-CB 3.49Å; E240-K244 PolarHBondContact O-N 3.12Å; E240-K244 VanDerWaalsContact O-N 3.11Å; E240-K244 WeakPolarHBondContact OE2-CE 3.47Å; E240-K244 IonicContact OE2-NZ 3.97Å; E240-K244 PolarHBondContact OE2-NZ 2.81Å; S242-K244 PolarHBondContact O-N 2.9Å; S242-K244 VanDerWaalsContact O-N 3.17Å; K244-A287 HydrophobicContact CB-CB 4.13Å; K244-A287 WeakPolarHBondContact CB-O 3.13Å; K244-A287 WeakPolarHBondContact CD-O 3.27Å; K244-A287 WeakPolarHBondContact O-CB 3.31Å
245	G	97.1	Very high	97.7	Very high	8 Å²	8	57 Å²	57	8%	0.082	30%	0.298	C	S	.	.	H	α-helix	trans	-97.4	-20.5	-178.3	0	0	0	0	0	114.6	S230 F231 L241	S230-G245 CarbonylContact C-O 3.48Å; S230-G245 WeakPolarHBondContact CA-O 3.48Å; F231-G245 PolarHBondContact N-O 3.22Å; L241-G245 WeakPolarHBondContact O-CA 3.05Å; L241-G245 PolarHBondContact O-N 3.14Å
246	A	98.2	Very high	97.7	Very high	17 Å²	17	61.6 Å²	61.6	14%	0.14	32%	0.323	C	S	.	.	S	Bend	trans	-74.2	155.3	175	0	0	0	0	0	111.6	F231 S242 S248 T252	F231-A246 WeakPolarHBondContact O-CB 3.15Å; F231-A246 PolarHBondContact O-N 2.92Å; S242-A246 WeakPolarHBondContact O-CB 3.35Å; S242-A246 PolarHBondContact O-N 3.07Å; A246-S248 VanDerWaalsContact C-N 3.25Å; A246-S248 PolarHBondContact O-N 3.23Å; A246-T252 HydrophobicContact CB-CG2 3.64Å
247	F	97.9	Very high	97.8	Very high	105 Å²	105	57.6 Å²	57.6	46%	0.461	31%	0.308	S	S	.	.	S	Bend	trans	-58.2	-38	175.4	-72.2	-58	0	0	0	112.9	S197 S230 H251	S197-F247 WeakPolarHBondContact O-CE2 3.23Å; S230-F247 WeakPolarHBondContact OG-CE2 3.45Å; F247-H251 HydrophobicContact CB-CB 4.17Å
248	S	97.8	Very high	97.9	Very high	45 Å²	45	52.8 Å²	52.8	32%	0.315	28%	0.283	S	S	.	.			trans	-163.2	173.9	168	79.5	0	0	0	0	109.9	A246 S250 H251	A246-S248 VanDerWaalsContact C-N 3.25Å; A246-S248 PolarHBondContact O-N 3.23Å; S248-S250 PolarHBondContact O-N 3.35Å; S248-S250 PolarHBondContact OG-N 2.94Å; S248-S250 VanDerWaalsContact OG-N 3.15Å; S248-S250 PolarHBondContact OG-OG 2.94Å; S248-H251 PolarHBondContact O-N 3.19Å; S248-H251 PolarHBondContact OG-ND1 3.19Å
249	S	96.6	Very high	98	Very high	117 Å²	117	56.3 Å²	56.3	82%	0.818	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-9.8	173.7	63.5	0	0	0	0	114.9
250	S	97.5	Very high	98	Very high	83 Å²	83	57.9 Å²	57.9	58%	0.58	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-1.6	174.8	65.3	0	0	0	0	113.3	S248	S248-S250 PolarHBondContact O-N 3.35Å; S248-S250 PolarHBondContact OG-N 2.94Å; S248-S250 VanDerWaalsContact OG-N 3.15Å; S248-S250 PolarHBondContact OG-OG 2.94Å
251	H	98.6	Very high	98.1	Very high	71 Å²	71	55 Å²	55	33%	0.329	29%	0.29	S	S	.	.	S	Bend	trans	-118.8	52.4	-179.6	-59.5	94.4	0	0	0	109.3	F200 P232 F247 S248	F200-H251 HydrophobicContact CB-CB 3.94Å; F200-H251 HydrophobicContact CD1-CB 4.2Å; F200-H251 AromaticContact CD1-CD2 3.61Å; F200-H251 VanDerWaalsContact CD2-C 3.46Å; F200-H251 HydrophobicContact CD2-CB 3.93Å; F200-H251 HydrophobicContact CE2-CB 4.49Å; F200-H251 HydrophobicContact CG-CB 3.76Å; F200-H251 AromaticContact CG-CD2 3.84Å; P232-H251 WeakPolarHBondContact CB-O 3.23Å; F247-H251 HydrophobicContact CB-CB 4.17Å; S248-H251 PolarHBondContact O-N 3.19Å; S248-H251 PolarHBondContact OG-ND1 3.19Å
252	T	98.7	Very high	98.1	Very high	21 Å²	21	55.7 Å²	55.7	13%	0.129	29%	0.293	C	S	.	.			trans	-127.8	158.4	179.6	58.5	0	0	0	0	110.6	P232 E234 A246	P232-T252 CarbonylContact O-C 3.41Å; P232-T252 WeakPolarHBondContact O-CA 3.34Å; P232-T252 WeakPolarHBondContact O-CB 3.28Å; E234-T252 HydrophobicContact CG-CG2 4.33Å; E234-T252 WeakPolarHBondContact OE1-CB 3.15Å; E234-T252 PolarHBondContact OE1-OG1 2.87Å; A246-T252 HydrophobicContact CB-CG2 3.64Å
253	Y	98.7	Very high	98.1	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-111.8	105.3	169.6	-56.8	-67.3	0	0	0	108.3	T196 F200 L201 V203 I206 W223 I225 P232 E234	T196-Y253 WeakPolarHBondContact CB-OH 3.04Å; T196-Y253 HydrophobicContact CG2-CE2 4.46Å; T196-Y253 VanDerWaalsContact CG2-OH 3.32Å; T196-Y253 WeakPolarHBondContact CG2-OH 3.21Å; T196-Y253 WeakPolarHBondContact OG1-CE2 3.19Å; F200-Y253 HydrophobicContact CD2-CE1 4.25Å; F200-Y253 HydrophobicContact CD2-CE2 4.02Å; F200-Y253 AromaticContact CD2-CZ 3.74Å; F200-Y253 AromaticContact CE2-CD1 3.89Å; F200-Y253 HydrophobicContact CE2-CD1 3.89Å; F200-Y253 HydrophobicContact CE2-CD2 4.24Å; F200-Y253 AromaticContact CE2-CE1 3.42Å; F200-Y253 HydrophobicContact CE2-CE1 3.42Å; F200-Y253 VanDerWaalsContact CE2-CE1 3.42Å; F200-Y253 AromaticContact CE2-CE2 3.81Å; F200-Y253 HydrophobicContact CE2-CE2 3.81Å; F200-Y253 HydrophobicContact CE2-CG 4.28Å; F200-Y253 AromaticContact CE2-CZ 3.37Å; F200-Y253 HydrophobicContact CZ-CD1 4.26Å; F200-Y253 AromaticContact CZ-CE1 3.76Å; F200-Y253 HydrophobicContact CZ-CE1 3.76Å; L201-Y253 PolarHBondContact N-OH 3.17Å; L201-Y253 VanDerWaalsContact O-CE1 3.3Å; L201-Y253 WeakPolarHBondContact O-CE1 3.01Å; L201-Y253 PolarHBondContact O-OH 2.95Å; V203-Y253 HydrophobicContact CG2-CD1 4.4Å; I206-Y253 HydrophobicContact CD1-CE1 3.82Å; W223-Y253 HydrophobicContact CH2-CD1 4.33Å; W223-Y253 HydrophobicContact CH2-CD2 4.44Å; W223-Y253 HydrophobicContact CH2-CG 4.18Å; W223-Y253 HydrophobicContact CZ2-CD1 4.01Å; W223-Y253 AromaticContact CZ2-CD2 3.7Å; W223-Y253 HydrophobicContact CZ2-CD2 3.7Å; W223-Y253 HydrophobicContact CZ2-CE1 4.05Å; W223-Y253 AromaticContact CZ2-CE2 3.76Å; W223-Y253 HydrophobicContact CZ2-CE2 3.76Å; W223-Y253 AromaticContact CZ2-CG 3.82Å; W223-Y253 HydrophobicContact CZ2-CG 3.82Å; W223-Y253 AromaticContact CZ2-CZ 3.92Å; I225-Y253 HydrophobicContact CD1-CD2 4.14Å; I225-Y253 HydrophobicContact CG1-CD2 4.07Å; I225-Y253 HydrophobicContact CG1-CE2 4.34Å; P232-Y253 HydrophobicContact CB-CD2 3.75Å; P232-Y253 HydrophobicContact CB-CE2 3.79Å; P232-Y253 HydrophobicContact CG-CD2 3.92Å; P232-Y253 HydrophobicContact CG-CE2 3.75Å; P232-Y253 PolarHBondContact O-N 2.69Å; E234-Y253 WeakPolarHBondContact CB-O 3.28Å; E234-Y253 WeakPolarHBondContact CG-O 3.24Å; E234-Y253 PolarHBondContact N-O 2.82Å
254	S	98.4	Very high	98.1	Very high	30 Å²	30	52.2 Å²	52.2	21%	0.21	28%	0.283	C	S	.	.			trans	-63.1	159.7	171.2	72.5	0	0	0	0	110.3	E234 D256 D257 V258	E234-S254 WeakPolarHBondContact OE2-CA 3.45Å; E234-S254 WeakPolarHBondContact OE2-CB 3.4Å; S254-D256 PolarHBondContact O-N 2.91Å; S254-D256 VanDerWaalsContact O-N 3.11Å; S254-D256 PolarHBondContact OG-N 3.38Å; S254-D257 WeakPolarHBondContact CB-OD2 3.21Å; S254-D257 PolarHBondContact N-OD2 3.03Å; S254-D257 WeakPolarHBondContact O-CB 3.33Å; S254-D257 PolarHBondContact O-N 2.82Å; S254-D257 PolarHBondContact OG-N 3.15Å; S254-D257 VanDerWaalsContact OG-N 3.12Å; S254-D257 PolarHBondContact OG-OD2 3.4Å; S254-V258 WeakPolarHBondContact O-CG2 3.5Å; S254-V258 PolarHBondContact O-N 3.19Å
255	Q	98.1	Very high	98.1	Very high	23 Å²	23	46.5 Å²	46.5	11%	0.107	26%	0.258	C	S	.	.	H	α-helix	trans	-58.5	-26.6	174.2	-68.7	-167.7	-5.8	0	0	112.9	K236 K259 E329 L333	K236-Q255 HydrophobicContact CD-CG 4.45Å; K236-Q255 VanDerWaalsContact CD-OE1 3.26Å; K236-Q255 VanDerWaalsContact CE-CD 3.5Å; K236-Q255 HydrophobicContact CG-CG 4.38Å; Q255-K259 VanDerWaalsContact O-CG 3.28Å; Q255-K259 WeakPolarHBondContact O-CG 3.21Å; Q255-K259 PolarHBondContact O-N 3.06Å; Q255-E329 PolarHBondContact NE2-OE2 2.86Å; Q255-L333 HydrophobicContact CB-CD2 4.29Å; Q255-L333 HydrophobicContact CG-CD2 4.05Å
256	D	98.3	Very high	98.2	Very high	102 Å²	102	46.4 Å²	46.4	55%	0.545	26%	0.256	S	S	.	.	H	α-helix	trans	-77.9	-33.3	176.7	-68.1	-21.4	0	0	0	111.6	S254 K259 N260	S254-D256 PolarHBondContact O-N 2.91Å; S254-D256 VanDerWaalsContact O-N 3.11Å; S254-D256 PolarHBondContact OG-N 3.38Å; D256-K259 PolarHBondContact O-N 2.86Å; D256-K259 IonicContact OD1-NZ 3.78Å; D256-K259 PolarHBondContact OD1-NZ 3.26Å; D256-N260 WeakPolarHBondContact O-CB 3.38Å; D256-N260 PolarHBondContact O-N 3.48Å
257	D	98.6	Very high	98.2	Very high	50 Å²	50	46.8 Å²	46.8	27%	0.267	26%	0.255	S	S	.	.	H	α-helix	trans	-61	-46.1	168.9	-64	-50.6	0	0	0	111.1	V203 S254 N260 I261	V203-D257 HydrophobicContact CG2-CB 3.9Å; S254-D257 WeakPolarHBondContact CB-OD2 3.21Å; S254-D257 PolarHBondContact N-OD2 3.03Å; S254-D257 WeakPolarHBondContact O-CB 3.33Å; S254-D257 PolarHBondContact O-N 2.82Å; S254-D257 PolarHBondContact OG-N 3.15Å; S254-D257 VanDerWaalsContact OG-N 3.12Å; S254-D257 PolarHBondContact OG-OD2 3.4Å; D257-N260 WeakPolarHBondContact O-CB 3.21Å; D257-N260 PolarHBondContact O-N 3.38Å; D257-I261 WeakPolarHBondContact O-CG1 3.31Å; D257-I261 PolarHBondContact O-N 3.38Å
258	V	98.6	Very high	98.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.3	-48.7	177.7	175.8	0	0	0	0	110.9	W223 Y233 S254 N260 I261 I262 L333 F334	W223-V258 HydrophobicContact CH2-CG2 4.04Å; W223-V258 HydrophobicContact CZ3-CG1 4.24Å; W223-V258 HydrophobicContact CZ3-CG2 4.26Å; Y233-V258 HydrophobicContact CD2-CG2 4.28Å; Y233-V258 HydrophobicContact CE2-CG2 4.4Å; S254-V258 WeakPolarHBondContact O-CG2 3.5Å; S254-V258 PolarHBondContact O-N 3.19Å; V258-N260 VanDerWaalsContact C-N 3.26Å; V258-N260 PolarHBondContact O-N 2.84Å; V258-I261 PolarHBondContact O-N 3.37Å; V258-I262 HydrophobicContact CG1-CD1 3.79Å; V258-I262 HydrophobicContact CG1-CG1 4.42Å; V258-I262 WeakPolarHBondContact O-CG1 3.36Å; V258-I262 PolarHBondContact O-N 3.24Å; V258-L333 HydrophobicContact CB-CD1 4.35Å; V258-L333 HydrophobicContact CB-CD2 3.83Å; V258-L333 HydrophobicContact CB-CG 4.25Å; V258-L333 HydrophobicContact CG1-CD1 4.01Å; V258-L333 HydrophobicContact CG1-CD2 3.55Å; V258-L333 HydrophobicContact CG1-CG 3.59Å; V258-L333 HydrophobicContact CG2-CD2 4.24Å; V258-F334 HydrophobicContact CG1-CD1 4.26Å; V258-F334 HydrophobicContact CG1-CE1 3.49Å; V258-F334 VanDerWaalsContact CG1-CE1 3.49Å; V258-F334 HydrophobicContact CG1-CE2 4.22Å; V258-F334 HydrophobicContact CG1-CZ 3.47Å; V258-F334 VanDerWaalsContact CG1-CZ 3.47Å; V258-F334 HydrophobicContact CG2-CZ 4.34Å
259	K	98	Very high	98.2	Very high	101 Å²	101	40.1 Å²	40.1	44%	0.439	22%	0.22	S	C	.	.	H	α-helix	trans	-57.9	-40.6	175.2	-72.6	170.1	-164.7	162.1	0	112	Q255 D256 I262 Q263 L333	Q255-K259 VanDerWaalsContact O-CG 3.28Å; Q255-K259 WeakPolarHBondContact O-CG 3.21Å; Q255-K259 PolarHBondContact O-N 3.06Å; D256-K259 PolarHBondContact O-N 2.86Å; D256-K259 IonicContact OD1-NZ 3.78Å; D256-K259 PolarHBondContact OD1-NZ 3.26Å; K259-I262 PolarHBondContact O-N 3.01Å; K259-Q263 VanDerWaalsContact O-CB 3.29Å; K259-Q263 WeakPolarHBondContact O-CB 3.42Å; K259-Q263 PolarHBondContact O-N 3.03Å; K259-L333 HydrophobicContact CD-CD1 4.42Å; K259-L333 HydrophobicContact CG-CD1 3.55Å
260	N	98.1	Very high	98.3	Very high	76 Å²	76	34.7 Å²	34.7	41%	0.406	18%	0.182	S	C	.	.	H	α-helix	trans	-67.1	-40.2	-179.4	-165.6	-9.4	0	0	0	111.7	K207 D256 D257 V258 H264	K207-N260 WeakPolarHBondContact CE-OD1 3.4Å; K207-N260 PolarHBondContact NZ-ND2 2.75Å; K207-N260 PolarHBondContact NZ-OD1 2.82Å; D256-N260 WeakPolarHBondContact O-CB 3.38Å; D256-N260 PolarHBondContact O-N 3.48Å; D257-N260 WeakPolarHBondContact O-CB 3.21Å; D257-N260 PolarHBondContact O-N 3.38Å; V258-N260 VanDerWaalsContact C-N 3.26Å; V258-N260 PolarHBondContact O-N 2.84Å; N260-H264 VanDerWaalsContact O-CB 3.29Å; N260-H264 WeakPolarHBondContact O-CB 3.5Å; N260-H264 PolarHBondContact O-N 3.01Å
261	I	98.7	Very high	98.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.9	-47.2	174	-71.9	165.1	0	0	0	110.7	V203 I206 L210 F221 W223 D257 V258 Q263 H264 A265	V203-I261 HydrophobicContact CG1-CD1 4.3Å; V203-I261 HydrophobicContact CG1-CG1 4.04Å; V203-I261 HydrophobicContact CG2-CD1 4.21Å; I206-I261 HydrophobicContact CB-CD1 4.49Å; I206-I261 HydrophobicContact CD1-CD1 3.88Å; I206-I261 HydrophobicContact CG2-CD1 4.26Å; I206-I261 HydrophobicContact CG2-CG1 4.35Å; I206-I261 HydrophobicContact CG2-CG2 3.9Å; L210-I261 HydrophobicContact CD1-CG2 4.17Å; F221-I261 HydrophobicContact CD1-CG2 4.43Å; F221-I261 HydrophobicContact CE1-CG2 4.05Å; W223-I261 HydrophobicContact CE3-CG2 4.33Å; W223-I261 HydrophobicContact CH2-CD1 3.43Å; W223-I261 VanDerWaalsContact CH2-CD1 3.43Å; W223-I261 HydrophobicContact CH2-CG2 4.47Å; W223-I261 HydrophobicContact CZ2-CD1 4.08Å; W223-I261 HydrophobicContact CZ3-CB 4.22Å; W223-I261 HydrophobicContact CZ3-CD1 3.96Å; W223-I261 HydrophobicContact CZ3-CG2 3.91Å; D257-I261 WeakPolarHBondContact O-CG1 3.31Å; D257-I261 PolarHBondContact O-N 3.38Å; V258-I261 PolarHBondContact O-N 3.37Å; I261-Q263 PolarHBondContact O-N 3.18Å; I261-H264 PolarHBondContact O-N 3.06Å; I261-A265 WeakPolarHBondContact O-CB 3.45Å; I261-A265 PolarHBondContact O-N 3.46Å
262	I	98.4	Very high	98.4	Very high	14 Å²	14	28.3 Å²	28.3	7%	0.072	14%	0.143	C	C	.	.	H	α-helix	trans	-59.7	-46.8	177.5	-68.1	170.3	0	0	0	110.9	N120 V258 K259 H264 A265 R266 V272 L333 F334	N120-I262 VanDerWaalsContact ND2-CG2 3.33Å; N120-I262 WeakPolarHBondContact ND2-CG2 3.28Å; V258-I262 HydrophobicContact CG1-CD1 3.79Å; V258-I262 HydrophobicContact CG1-CG1 4.42Å; V258-I262 WeakPolarHBondContact O-CG1 3.36Å; V258-I262 PolarHBondContact O-N 3.24Å; K259-I262 PolarHBondContact O-N 3.01Å; I262-H264 VanDerWaalsContact C-N 3.32Å; I262-H264 PolarHBondContact O-N 3.2Å; I262-A265 PolarHBondContact O-N 3.31Å; I262-R266 PolarHBondContact O-N 2.95Å; I262-V272 HydrophobicContact CB-CG2 4.48Å; I262-V272 HydrophobicContact CG1-CB 4.1Å; I262-V272 HydrophobicContact CG1-CG1 4.22Å; I262-V272 HydrophobicContact CG1-CG2 4.05Å; I262-L333 WeakPolarHBondContact CD1-O 3.45Å; I262-F334 HydrophobicContact CD1-CD1 3.94Å; I262-F334 HydrophobicContact CD1-CE1 4.32Å
263	Q	97.6	Very high	98.4	Very high	80 Å²	80	27.3 Å²	27.3	37%	0.374	14%	0.137	S	C	.	.	H	α-helix	trans	-63.1	-39.4	177.4	175.1	61.5	9.5	0	0	111.8	K259 I261 R266 L267	K259-Q263 VanDerWaalsContact O-CB 3.29Å; K259-Q263 WeakPolarHBondContact O-CB 3.42Å; K259-Q263 PolarHBondContact O-N 3.03Å; I261-Q263 PolarHBondContact O-N 3.18Å; Q263-R266 WeakPolarHBondContact O-CB 3.31Å; Q263-R266 PolarHBondContact O-N 3.49Å; Q263-L267 WeakPolarHBondContact O-CG 3.41Å; Q263-L267 PolarHBondContact O-N 3.41Å
264	H	98.1	Very high	98.4	Very high	33 Å²	33	27.4 Å²	27.4	15%	0.153	14%	0.138	C	C	.	.	H	α-helix	trans	-66	-42.7	176.6	-167.9	76.5	0	0	0	111.6	K207 N260 I261 I262 R266 L267 W268	K207-H264 HydrophobicContact CD-CB 4.3Å; K207-H264 HydrophobicContact CG-CB 4.19Å; N260-H264 VanDerWaalsContact O-CB 3.29Å; N260-H264 WeakPolarHBondContact O-CB 3.5Å; N260-H264 PolarHBondContact O-N 3.01Å; I261-H264 PolarHBondContact O-N 3.06Å; I262-H264 VanDerWaalsContact C-N 3.32Å; I262-H264 PolarHBondContact O-N 3.2Å; H264-R266 VanDerWaalsContact C-N 3.33Å; H264-R266 PolarHBondContact O-N 3.21Å; H264-L267 PolarHBondContact O-N 2.93Å; H264-W268 AromaticContact CD2-CD1 3.97Å; H264-W268 AromaticContact CD2-NE1 3.92Å; H264-W268 AromaticContact CE1-NE1 3.77Å; H264-W268 AromaticContact NE2-CD1 3.86Å; H264-W268 AromaticContact NE2-NE1 3.32Å; H264-W268 PolarHBondContact NE2-NE1 3.39Å; H264-W268 VanDerWaalsContact O-CD1 3.27Å
265	A	98.7	Very high	98.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60	-41.9	173.9	0	0	0	0	0	111.8	L210 I261 I262 L267 W268 G269 I270 V272	L210-A265 HydrophobicContact CD1-CB 3.93Å; L210-A265 HydrophobicContact CD2-CB 3.89Å; I261-A265 WeakPolarHBondContact O-CB 3.45Å; I261-A265 PolarHBondContact O-N 3.46Å; I262-A265 PolarHBondContact O-N 3.31Å; A265-L267 VanDerWaalsContact C-N 3.29Å; A265-L267 PolarHBondContact O-N 2.9Å; A265-W268 CarbonylContact O-C 3.52Å; A265-W268 WeakPolarHBondContact O-CA 3.48Å; A265-W268 PolarHBondContact O-N 3.4Å; A265-G269 PolarHBondContact O-N 3.05Å; A265-I270 CarbonylContact C-O 3.54Å; A265-I270 HydrophobicContact CB-CB 4.04Å; A265-I270 HydrophobicContact CB-CG2 4.21Å; A265-I270 WeakPolarHBondContact CB-O 3.08Å; A265-I270 WeakPolarHBondContact O-CB 3.38Å; A265-I270 PolarHBondContact O-N 3.04Å; A265-V272 HydrophobicContact CB-CG2 3.56Å
266	R	98.2	Very high	98.4	Very high	7 Å²	7	24.9 Å²	24.9	3%	0.026	12%	0.122	C	C	.	.	H	α-helix	trans	-56.7	-40.5	176.3	-173.9	-170.6	71.2	86.3	17.8	112.4	D66 I67 S119 W147 I262 Q263 H264 W268 G269	D66-R266 IonicContact OD1-CZ 3.14Å; D66-R266 IonicContact OD1-NH1 2.77Å; D66-R266 PolarHBondContact OD1-NH1 3Å; D66-R266 IonicContact OD1-NH2 2.75Å; D66-R266 IonicContact OD2-CZ 3.66Å; D66-R266 IonicContact OD2-NH1 2.94Å; D66-R266 IonicContact OD2-NH2 3.19Å; D66-R266 PolarHBondContact OD2-NH2 3.46Å; I67-R266 VanDerWaalsContact CD1-NH1 3.25Å; I67-R266 VanDerWaalsContact CG1-NH1 3.27Å; S119-R266 WeakPolarHBondContact O-CD 3.22Å; W147-R266 HydrophobicContact CH2-CG 4.43Å; I262-R266 PolarHBondContact O-N 2.95Å; Q263-R266 WeakPolarHBondContact O-CB 3.31Å; Q263-R266 PolarHBondContact O-N 3.49Å; H264-R266 VanDerWaalsContact C-N 3.33Å; H264-R266 PolarHBondContact O-N 3.21Å; R266-W268 PolarHBondContact O-N 2.96Å; R266-G269 PolarHBondContact O-N 3.11Å
267	L	98	Very high	98.4	Very high	24 Å²	24	20 Å²	20	13%	0.126	10%	0.096	C	C	.	.	H	α-helix	trans	-63.7	-25.3	178.3	-65.7	174.1	0	0	0	112.9	I67 H70 Q263 H264 A265	I67-L267 HydrophobicContact CG1-CD2 4.24Å; H70-L267 HydrophobicContact CB-CD2 4.19Å; Q263-L267 WeakPolarHBondContact O-CG 3.41Å; Q263-L267 PolarHBondContact O-N 3.41Å; H264-L267 PolarHBondContact O-N 2.93Å; A265-L267 VanDerWaalsContact C-N 3.29Å; A265-L267 PolarHBondContact O-N 2.9Å
268	W	98.2	Very high	98.4	Very high	11 Å²	11	17.6 Å²	17.6	4%	0.042	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	1.3	173.1	-67.4	108.3	0	0	0	113.5	Y74 R151 E211 H264 A265 R266 I270	Y74-W268 AromaticContact CD1-CH2 3.67Å; Y74-W268 HydrophobicContact CD1-CH2 3.67Å; Y74-W268 HydrophobicContact CD1-CZ3 4.23Å; Y74-W268 AromaticContact CD2-CH2 3.87Å; Y74-W268 HydrophobicContact CD2-CH2 3.87Å; Y74-W268 HydrophobicContact CD2-CZ2 4.24Å; Y74-W268 AromaticContact CE1-CH2 3.63Å; Y74-W268 HydrophobicContact CE1-CH2 3.63Å; Y74-W268 HydrophobicContact CE1-CZ3 4.19Å; Y74-W268 AromaticContact CE2-CH2 3.84Å; Y74-W268 HydrophobicContact CE2-CH2 3.84Å; Y74-W268 HydrophobicContact CE2-CZ2 4.27Å; Y74-W268 AromaticContact CG-CH2 3.78Å; Y74-W268 HydrophobicContact CG-CH2 3.78Å; Y74-W268 HydrophobicContact CG-CZ2 4.47Å; Y74-W268 AromaticContact CZ-CH2 3.71Å; R151-W268 PolarHBondContact NH1-O 3.48Å; E211-W268 HydrophobicContact CB-CH2 4.47Å; E211-W268 HydrophobicContact CB-CZ2 3.79Å; E211-W268 HydrophobicContact CG-CH2 3.78Å; E211-W268 HydrophobicContact CG-CZ2 3.5Å; H264-W268 AromaticContact CD2-CD1 3.97Å; H264-W268 AromaticContact CD2-NE1 3.92Å; H264-W268 AromaticContact CE1-NE1 3.77Å; H264-W268 AromaticContact NE2-CD1 3.86Å; H264-W268 AromaticContact NE2-NE1 3.32Å; H264-W268 PolarHBondContact NE2-NE1 3.39Å; H264-W268 VanDerWaalsContact O-CD1 3.27Å; A265-W268 CarbonylContact O-C 3.52Å; A265-W268 WeakPolarHBondContact O-CA 3.48Å; A265-W268 PolarHBondContact O-N 3.4Å; R266-W268 PolarHBondContact O-N 2.96Å; W268-I270 VanDerWaalsContact C-N 3.31Å; W268-I270 HydrophobicContact CB-CD1 3.62Å; W268-I270 HydrophobicContact CB-CG1 3.88Å; W268-I270 HydrophobicContact CG-CD1 4.46Å
269	G	98.4	Very high	98.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	37.9	-172.4	0	0	0	0	0	112.3	W147 R151 A265 R266	W147-G269 VanDerWaalsContact CE3-CA 3.5Å; R151-G269 PolarHBondContact NH2-O 3.04Å; A265-G269 PolarHBondContact O-N 3.05Å; R266-G269 PolarHBondContact O-N 3.11Å
270	I	98.8	Very high	98.1	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.01	6%	0.063	C	C	.	.			trans	-110.5	129.4	179.7	-61.6	169.5	0	0	0	109.2	L210 M213 N219 F221 A265 W268	L210-I270 HydrophobicContact CB-CD1 4.37Å; L210-I270 HydrophobicContact CD2-CB 4.48Å; L210-I270 HydrophobicContact CD2-CD1 4Å; L210-I270 HydrophobicContact CD2-CG2 3.92Å; L210-I270 WeakPolarHBondContact O-CD1 3.44Å; M213-I270 HydrophobicContact CB-CD1 3.58Å; M213-I270 HydrophobicContact CE-CD1 4.23Å; M213-I270 HydrophobicContact CE-CG2 3.84Å; M213-I270 HydrophobicContact SD-CD1 4.5Å; N219-I270 WeakPolarHBondContact O-CA 3.44Å; F221-I270 HydrophobicContact CB-CG2 3.86Å; A265-I270 CarbonylContact C-O 3.54Å; A265-I270 HydrophobicContact CB-CB 4.04Å; A265-I270 HydrophobicContact CB-CG2 4.21Å; A265-I270 WeakPolarHBondContact CB-O 3.08Å; A265-I270 WeakPolarHBondContact O-CB 3.38Å; A265-I270 PolarHBondContact O-N 3.04Å; W268-I270 VanDerWaalsContact C-N 3.31Å; W268-I270 HydrophobicContact CB-CD1 3.62Å; W268-I270 HydrophobicContact CB-CG1 3.88Å; W268-I270 HydrophobicContact CG-CD1 4.46Å
271	R	98.8	Very high	97.9	Very high	10 Å²	10	9.5 Å²	9.5	4%	0.038	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	142.3	171.3	-70.3	171.7	57.2	-145.4	-5.1	110.2	P121 N219 V220 F221 D336	P121-R271 HydrophobicContact CB-CG 4.09Å; P121-R271 VanDerWaalsContact O-CG 3.26Å; P121-R271 WeakPolarHBondContact O-CG 3.43Å; N219-R271 WeakPolarHBondContact O-CB 3.39Å; N219-R271 PolarHBondContact O-N 2.9Å; V220-R271 CarbonylContact C-O 3.16Å; V220-R271 WeakPolarHBondContact CA-O 3.44Å; V220-R271 HydrophobicContact CG2-CB 4.27Å; F221-R271 PolarHBondContact N-O 3.01Å; R271-D336 VanDerWaalsContact CB-OD2 3.31Å; R271-D336 WeakPolarHBondContact CB-OD2 3.47Å; R271-D336 WeakPolarHBondContact CG-OD2 3.08Å; R271-D336 IonicContact CZ-OD1 3.43Å; R271-D336 IonicContact CZ-OD2 3.17Å; R271-D336 IonicContact NE-OD1 3.89Å; R271-D336 IonicContact NE-OD2 3.27Å; R271-D336 PolarHBondContact NE-OD2 3.35Å; R271-D336 IonicContact NH2-OD1 3.27Å; R271-D336 PolarHBondContact NH2-OD1 3.23Å; R271-D336 IonicContact NH2-OD2 3.95Å
272	V	98.8	Very high	97.8	Very high	10 Å²	10	9.5 Å²	9.5	6%	0.061	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	103.8	172.9	-177.4	0	0	0	0	108.5	F221 W223 I262 A265 F334 D336	F221-V272 HydrophobicContact CD1-CG1 4.05Å; F221-V272 HydrophobicContact CD1-CG2 4.17Å; W223-V272 HydrophobicContact CE3-CG1 4.14Å; I262-V272 HydrophobicContact CB-CG2 4.48Å; I262-V272 HydrophobicContact CG1-CB 4.1Å; I262-V272 HydrophobicContact CG1-CG1 4.22Å; I262-V272 HydrophobicContact CG1-CG2 4.05Å; A265-V272 HydrophobicContact CB-CG2 3.56Å; V272-F334 HydrophobicContact CG1-CD1 4.47Å; V272-D336 WeakPolarHBondContact O-CB 3.23Å
273	V	98.8	Very high	97.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	105.3	174.7	175.4	0	0	0	0	106.9	V220 F221 H222 W223 A338 H340 I394	V220-V273 HydrophobicContact CG1-CB 3.98Å; V220-V273 HydrophobicContact CG1-CG2 3.59Å; F221-V273 PolarHBondContact O-N 3.15Å; H222-V273 CarbonylContact C-O 3.59Å; H222-V273 WeakPolarHBondContact CA-O 3.46Å; W223-V273 PolarHBondContact N-O 3.18Å; V273-A338 HydrophobicContact CG2-CB 4.48Å; V273-H340 HydrophobicContact CG1-CB 4.39Å; V273-I394 HydrophobicContact CG1-CD1 3.75Å
274	V	98.8	Very high	97.4	Very high	2 Å²	2	8 Å²	8	1%	0.012	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	145.7	177.7	69.2	0	0	0	0	110.5	I225 F276 F334 V339 H340	I225-V274 HydrophobicContact CB-CG2 4.33Å; I225-V274 HydrophobicContact CG2-CG2 3.59Å; V274-F276 HydrophobicContact CB-CE2 4.29Å; V274-F276 HydrophobicContact CG1-CD2 4.05Å; V274-F276 HydrophobicContact CG1-CE2 3.75Å; V274-F276 HydrophobicContact CG2-CD2 4.03Å; V274-F276 HydrophobicContact CG2-CE2 3.52Å; V274-F276 HydrophobicContact CG2-CZ 3.8Å; V274-F334 HydrophobicContact CB-CB 4.45Å; V274-F334 HydrophobicContact CB-CD1 3.6Å; V274-F334 HydrophobicContact CB-CD2 4.25Å; V274-F334 HydrophobicContact CB-CE1 3.75Å; V274-F334 HydrophobicContact CB-CE2 4.39Å; V274-F334 HydrophobicContact CB-CG 3.85Å; V274-F334 HydrophobicContact CB-CZ 4.14Å; V274-F334 HydrophobicContact CG1-CB 3.74Å; V274-F334 HydrophobicContact CG1-CD1 3.82Å; V274-F334 HydrophobicContact CG1-CD2 3.81Å; V274-F334 HydrophobicContact CG1-CE1 4.33Å; V274-F334 HydrophobicContact CG1-CE2 4.34Å; V274-F334 HydrophobicContact CG1-CG 3.52Å; V274-F334 HydrophobicContact CG2-CD1 4.13Å; V274-F334 HydrophobicContact CG2-CD2 4.34Å; V274-F334 HydrophobicContact CG2-CE1 3.78Å; V274-F334 HydrophobicContact CG2-CE2 4.03Å; V274-F334 HydrophobicContact CG2-CG 4.39Å; V274-F334 HydrophobicContact CG2-CZ 3.72Å; V274-V339 HydrophobicContact CG1-CG1 4.18Å; V274-V339 HydrophobicContact CG1-CG2 4.29Å; V274-H340 PolarHBondContact O-N 3.14Å
275	E	98.9	Very high	97.3	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.6	168.5	-178.6	167.7	-154.5	0	0	111.1	H222 W223 H224 I225 D277 H340 G342 W396	H222-E275 IonicContact CD2-OE2 2.84Å; H222-E275 IonicContact CE1-OE2 3.54Å; H222-E275 IonicContact NE2-OE2 2.7Å; H222-E275 PolarHBondContact NE2-OE2 2.93Å; W223-E275 PolarHBondContact O-N 2.7Å; H224-E275 IonicContact CE1-OE2 3.95Å; H224-E275 IonicContact CG-OE2 2.75Å; H224-E275 IonicContact ND1-OE1 3.05Å; H224-E275 IonicContact ND1-OE2 2.98Å; H224-E275 PolarHBondContact ND1-OE2 2.84Å; I225-E275 WeakPolarHBondContact CG2-O 3.41Å; E275-D277 HydrophobicContact CG-CB 4.17Å; E275-H340 WeakPolarHBondContact CA-O 3.22Å; E275-H340 HydrophobicContact CB-CB 3.72Å; E275-H340 VanDerWaalsContact CD-ND1 3.27Å; E275-H340 HydrophobicContact CG-CB 3.91Å; E275-H340 IonicContact OE1-CE1 3.7Å; E275-H340 PolarHBondContact OE1-CE1 2.85Å; E275-H340 VanDerWaalsContact OE1-CE1 3.31Å; E275-H340 IonicContact OE1-CG 3.23Å; E275-H340 IonicContact OE1-ND1 3.57Å; E275-H340 PolarHBondContact OE1-ND1 2.95Å; E275-H340 IonicContact OE2-ND1 3.42Å; E275-G342 WeakPolarHBondContact OE1-CA 3.49Å; E275-W396 PolarHBondContact OE1-NE1 3.01Å
276	F	98.5	Very high	97.1	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	87.3	165.6	-69.1	-70.8	0	0	0	107.2	I225 V226 Y233 V274 T278 W285 F326 F327 A330 F334 H340	I225-F276 HydrophobicContact CG2-CD1 3.92Å; I225-F276 HydrophobicContact CG2-CE1 3.38Å; I225-F276 HydrophobicContact CG2-CZ 3.79Å; V226-F276 HydrophobicContact CG1-CE1 4.44Å; V226-F276 HydrophobicContact CG2-CD1 3.65Å; V226-F276 HydrophobicContact CG2-CE1 4.25Å; Y233-F276 AromaticContact CD1-CE1 3.81Å; Y233-F276 HydrophobicContact CD1-CE1 3.81Å; Y233-F276 AromaticContact CD1-CZ 3.9Å; Y233-F276 HydrophobicContact CD1-CZ 3.9Å; Y233-F276 HydrophobicContact CE1-CE1 4.41Å; Y233-F276 HydrophobicContact CE1-CZ 4.12Å; Y233-F276 HydrophobicContact CG-CE1 4.18Å; Y233-F276 HydrophobicContact CG-CZ 4.22Å; V274-F276 HydrophobicContact CB-CE2 4.29Å; V274-F276 HydrophobicContact CG1-CD2 4.05Å; V274-F276 HydrophobicContact CG1-CE2 3.75Å; V274-F276 HydrophobicContact CG2-CD2 4.03Å; V274-F276 HydrophobicContact CG2-CE2 3.52Å; V274-F276 HydrophobicContact CG2-CZ 3.8Å; F276-T278 PolarHBondContact O-N 3.43Å; F276-W285 HydrophobicContact CB-CH2 4.11Å; F276-W285 HydrophobicContact CB-CZ2 4.16Å; F276-W285 HydrophobicContact CD1-CH2 4.3Å; F276-W285 HydrophobicContact CD1-CZ2 4.23Å; F276-F326 HydrophobicContact CB-CE1 4.18Å; F276-F326 AromaticContact CD1-CE1 3.69Å; F276-F326 HydrophobicContact CD1-CE1 3.69Å; F276-F326 AromaticContact CD1-CZ 3.51Å; F276-F326 HydrophobicContact CD1-CZ 3.51Å; F276-F326 HydrophobicContact CD2-CE1 4.01Å; F276-F326 HydrophobicContact CD2-CZ 4.39Å; F276-F326 HydrophobicContact CE1-CE1 4.03Å; F276-F326 AromaticContact CE1-CZ 3.47Å; F276-F326 HydrophobicContact CE1-CZ 3.47Å; F276-F326 VanDerWaalsContact CE1-CZ 3.47Å; F276-F326 HydrophobicContact CE2-CE1 4.3Å; F276-F326 HydrophobicContact CE2-CZ 4.34Å; F276-F326 AromaticContact CG-CE1 3.68Å; F276-F326 HydrophobicContact CG-CE1 3.68Å; F276-F326 AromaticContact CG-CZ 4Å; F276-F326 HydrophobicContact CG-CZ 4Å; F276-F326 HydrophobicContact CZ-CE1 4.31Å; F276-F326 AromaticContact CZ-CZ 3.9Å; F276-F326 HydrophobicContact CZ-CZ 3.9Å; F276-F327 HydrophobicContact CB-CE1 4.15Å; F276-F327 HydrophobicContact CB-CZ 4.13Å; F276-F327 HydrophobicContact CD2-CE1 4.25Å; F276-A330 HydrophobicContact CE2-CB 3.91Å; F276-F334 HydrophobicContact CE2-CD2 4.16Å; F276-F334 AromaticContact CE2-CE2 3.96Å; F276-F334 HydrophobicContact CE2-CE2 3.96Å; F276-F334 AromaticContact CZ-CE2 3.86Å; F276-F334 HydrophobicContact CZ-CE2 3.86Å; F276-F334 HydrophobicContact CZ-CZ 4.47Å; F276-H340 PolarHBondContact N-O 2.86Å
277	D	98.2	Very high	96.8	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.052	C	C	.	.			trans	-69.3	129.4	-173.6	-174.5	8.7	0	0	0	111.6	E275 H281 G342 G343	E275-D277 HydrophobicContact CG-CB 4.17Å; D277-H281 HydrophobicContact CB-CB 4.46Å; D277-H281 WeakPolarHBondContact OD2-CB 3.38Å; D277-H281 IonicContact OD2-CD2 3.64Å; D277-H281 PolarHBondContact OD2-CD2 2.02Å; D277-H281 IonicContact OD2-CG 3.22Å; D277-G342 VanDerWaalsContact OD1-CA 3.27Å; D277-G342 WeakPolarHBondContact OD1-CA 3.18Å; D277-G343 PolarHBondContact OD1-N 3.45Å
278	T	97.5	Very high	96.6	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.05	C	C	.	.			trans	-156.3	150.8	179	55.2	0	0	0	0	109.3	F276 V282 W285 L341 Y376 F377	F276-T278 PolarHBondContact O-N 3.43Å; T278-V282 HydrophobicContact CG2-CG1 3.9Å; T278-W285 HydrophobicContact CG2-CH2 4.09Å; T278-W285 HydrophobicContact CG2-CZ2 4.12Å; T278-L341 PolarHBondContact N-O 2.83Å; T278-Y376 WeakPolarHBondContact CB-OH 3.19Å; T278-Y376 PolarHBondContact OG1-OH 2.9Å; T278-F377 WeakPolarHBondContact O-CZ 3.31Å
279	P	96.7	Very high	96.4	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.053	C	C	.	.	S	Bend	cis	-90.2	-4.5	3.9	35.8	-34.6	0	0	0	114.5	V282 T311 L312 V346 W351 Y376	P279-V282 WeakPolarHBondContact O-CG2 3.41Å; P279-T311 WeakPolarHBondContact O-CA 3.41Å; P279-L312 HydrophobicContact CB-CB 3.87Å; P279-L312 PolarHBondContact O-N 2.93Å; P279-V346 HydrophobicContact CG-CG1 4.01Å; P279-V346 HydrophobicContact CG-CG2 3.84Å; P279-W351 HydrophobicContact CB-CZ2 4.2Å; P279-W351 HydrophobicContact CG-CH2 4.05Å; P279-W351 HydrophobicContact CG-CZ2 3.96Å; P279-Y376 HydrophobicContact CB-CD1 4.08Å; P279-Y376 HydrophobicContact CB-CD2 4.37Å; P279-Y376 HydrophobicContact CB-CE1 4Å; P279-Y376 HydrophobicContact CB-CE2 4.3Å; P279-Y376 HydrophobicContact CB-CG 4.27Å; P279-Y376 HydrophobicContact CG-CD1 3.84Å; P279-Y376 HydrophobicContact CG-CE1 4.08Å; P279-Y376 HydrophobicContact CG-CG 4.26Å
280	G	93.8	Very high	96.1	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-75.3	176.1	168.3	0	0	0	0	0	111.5	V282 G310	G280-V282 VanDerWaalsContact C-N 3.3Å; G280-V282 WeakPolarHBondContact O-CG1 3.42Å; G280-V282 PolarHBondContact O-N 2.9Å; G280-G310 CarbonylContact C-O 3.49Å
281	H	94.5	Very high	95.8	Very high	7 Å²	7	15.7 Å²	15.7	3%	0.032	10%	0.096	C	C	.	.	S	Bend	trans	56.7	33.6	171.1	-65	-65.2	0	0	0	116.5	D227 D228 D277 T309 G310 D344 E345	D227-H281 CarbonylContact C-O 3.54Å; D227-H281 VanDerWaalsContact CA-O 3.28Å; D227-H281 WeakPolarHBondContact CA-O 3.38Å; D227-H281 IonicContact OD1-CG 2.78Å; D227-H281 IonicContact OD1-ND1 2.78Å; D227-H281 PolarHBondContact OD1-ND1 3.05Å; D227-H281 WeakPolarHBondContact OD2-CB 3.3Å; D227-H281 IonicContact OD2-CG 2.77Å; D227-H281 IonicContact OD2-ND1 3.96Å; D227-H281 PolarHBondContact OD2-ND1 3.03Å; D228-H281 PolarHBondContact N-O 2.98Å; D228-H281 WeakPolarHBondContact OD1-CA 3.47Å; D228-H281 WeakPolarHBondContact OD2-CA 3.43Å; D228-H281 IonicContact OD2-CG 2.83Å; D228-H281 IonicContact OD2-ND1 2.81Å; D228-H281 PolarHBondContact OD2-ND1 3.43Å; D228-H281 VanDerWaalsContact OD2-ND1 3.15Å; D277-H281 HydrophobicContact CB-CB 4.46Å; D277-H281 WeakPolarHBondContact OD2-CB 3.38Å; D277-H281 IonicContact OD2-CD2 3.64Å; D277-H281 PolarHBondContact OD2-CD2 2.02Å; D277-H281 IonicContact OD2-CG 3.22Å; H281-T309 VanDerWaalsContact CE1-CG2 3.49Å; H281-T309 WeakPolarHBondContact CE1-CG2 3.37Å; H281-G310 PolarHBondContact N-O 3.1Å; H281-D344 IonicContact CD2-OD1 3.29Å; H281-D344 IonicContact CD2-OD2 3.55Å; H281-D344 IonicContact NE2-OD2 3.58Å; H281-E345 IonicContact NE2-OE2 3.94Å
282	V	95.3	Very high	95.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.095	C	C	.	.			trans	-113.5	14.3	-174.2	-67.6	0	0	0	0	116.5	D228 T278 P279 G280 S284 W285 G286 L293 G310 L312	D228-V282 PolarHBondContact OD1-N 2.87Å; D228-V282 VanDerWaalsContact OD1-N 3.11Å; T278-V282 HydrophobicContact CG2-CG1 3.9Å; P279-V282 WeakPolarHBondContact O-CG2 3.41Å; G280-V282 VanDerWaalsContact C-N 3.3Å; G280-V282 WeakPolarHBondContact O-CG1 3.42Å; G280-V282 PolarHBondContact O-N 2.9Å; V282-S284 VanDerWaalsContact C-N 3.28Å; V282-S284 PolarHBondContact O-N 2.84Å; V282-W285 VanDerWaalsContact CA-CD1 3.49Å; V282-W285 HydrophobicContact CB-CB 4.16Å; V282-W285 HydrophobicContact CB-CD2 4.5Å; V282-W285 HydrophobicContact CB-CG 3.89Å; V282-W285 HydrophobicContact CG1-CD2 4.11Å; V282-W285 HydrophobicContact CG1-CG 4.01Å; V282-W285 VanDerWaalsContact O-CB 3.28Å; V282-W285 WeakPolarHBondContact O-CB 3.19Å; V282-W285 PolarHBondContact O-N 2.96Å; V282-G286 PolarHBondContact O-N 3.13Å; V282-L293 HydrophobicContact CB-CD2 4.19Å; V282-L293 HydrophobicContact CG2-CD2 3.47Å; V282-L293 VanDerWaalsContact CG2-CD2 3.47Å; V282-G310 WeakPolarHBondContact CG2-O 3.41Å; V282-G310 PolarHBondContact N-O 3.45Å; V282-L312 HydrophobicContact CG2-CB 4.08Å
283	L	92.7	Very high	95.4	Very high	56 Å²	56	16.7 Å²	16.7	29%	0.293	10%	0.102	S	C	.	.	H	α-helix	trans	-53	-44.4	-178.6	-75	175.4	0	0	0	112.8	D228 W285 G286 A287 L293 P307 G310	D228-L283 HydrophobicContact CB-CB 3.96Å; D228-L283 HydrophobicContact CB-CD1 4.1Å; D228-L283 HydrophobicContact CB-CG 4.21Å; D228-L283 WeakPolarHBondContact O-CB 3.5Å; D228-L283 WeakPolarHBondContact OD1-CB 3.44Å; D228-L283 VanDerWaalsContact OD1-CG 3.3Å; D228-L283 WeakPolarHBondContact OD1-CG 3.5Å; D228-L283 PolarHBondContact OD1-N 2.9Å; L283-W285 PolarHBondContact O-N 2.99Å; L283-G286 PolarHBondContact O-N 2.9Å; L283-G286 VanDerWaalsContact O-N 3.16Å; L283-A287 PolarHBondContact O-N 2.89Å; L283-L293 HydrophobicContact CD2-CD1 4.24Å; L283-P307 HydrophobicContact CD1-CB 4.18Å; L283-G310 VanDerWaalsContact CG-CA 3.46Å; L283-G310 VanDerWaalsContact CG-N 3.33Å
284	S	95.3	Very high	95.2	Very high	6 Å²	6	17.2 Å²	17.2	4%	0.042	11%	0.105	C	C	.	.	H	α-helix	trans	-65	-27.8	-179.6	71.9	0	0	0	0	113.3	D227 D228 S230 F231 V282 G286 A287	D227-S284 VanDerWaalsContact O-CB 3.23Å; D227-S284 WeakPolarHBondContact O-CB 3.16Å; D227-S284 PolarHBondContact O-OG 2.95Å; D228-S284 WeakPolarHBondContact O-CB 3.46Å; D228-S284 PolarHBondContact O-N 2.83Å; D228-S284 VanDerWaalsContact O-N 3.07Å; S230-S284 PolarHBondContact O-OG 2.86Å; F231-S284 PolarHBondContact N-OG 3.22Å; V282-S284 VanDerWaalsContact C-N 3.28Å; V282-S284 PolarHBondContact O-N 2.84Å; S284-G286 VanDerWaalsContact C-N 3.34Å; S284-A287 WeakPolarHBondContact O-CB 3.24Å; S284-A287 PolarHBondContact O-N 3.32Å
285	W	97	Very high	94.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.2	-41.5	175.9	-59.9	56.7	0	0	0	110.3	V226 F231 F276 T278 V282 L283 A287 G288 V289 L292 F322 F326	V226-W285 HydrophobicContact CG2-CZ2 3.63Å; F231-W285 AromaticContact CD2-CD1 3.75Å; F231-W285 HydrophobicContact CD2-CD2 4.04Å; F231-W285 AromaticContact CD2-CG 3.85Å; F231-W285 HydrophobicContact CD2-CG 3.85Å; F231-W285 AromaticContact CD2-NE1 3.94Å; F231-W285 AromaticContact CE2-CD1 3.98Å; F231-W285 AromaticContact CE2-CD2 3.51Å; F231-W285 HydrophobicContact CE2-CD2 3.51Å; F231-W285 AromaticContact CE2-CE2 3.56Å; F231-W285 AromaticContact CE2-CE3 3.9Å; F231-W285 HydrophobicContact CE2-CE3 3.9Å; F231-W285 AromaticContact CE2-CG 3.83Å; F231-W285 HydrophobicContact CE2-CG 3.83Å; F231-W285 HydrophobicContact CE2-CH2 4.34Å; F231-W285 HydrophobicContact CE2-CZ2 4.01Å; F231-W285 HydrophobicContact CE2-CZ3 4.28Å; F231-W285 AromaticContact CE2-NE1 3.86Å; F276-W285 HydrophobicContact CB-CH2 4.11Å; F276-W285 HydrophobicContact CB-CZ2 4.16Å; F276-W285 HydrophobicContact CD1-CH2 4.3Å; F276-W285 HydrophobicContact CD1-CZ2 4.23Å; T278-W285 HydrophobicContact CG2-CH2 4.09Å; T278-W285 HydrophobicContact CG2-CZ2 4.12Å; V282-W285 VanDerWaalsContact CA-CD1 3.49Å; V282-W285 HydrophobicContact CB-CB 4.16Å; V282-W285 HydrophobicContact CB-CD2 4.5Å; V282-W285 HydrophobicContact CB-CG 3.89Å; V282-W285 HydrophobicContact CG1-CD2 4.11Å; V282-W285 HydrophobicContact CG1-CG 4.01Å; V282-W285 VanDerWaalsContact O-CB 3.28Å; V282-W285 WeakPolarHBondContact O-CB 3.19Å; V282-W285 PolarHBondContact O-N 2.96Å; L283-W285 PolarHBondContact O-N 2.99Å; W285-A287 PolarHBondContact O-N 2.81Å; W285-G288 PolarHBondContact O-N 2.81Å; W285-G288 VanDerWaalsContact O-N 3.11Å; W285-V289 PolarHBondContact O-N 2.89Å; W285-L292 HydrophobicContact CB-CD2 3.58Å; W285-L292 HydrophobicContact CD2-CD2 4.39Å; W285-L292 HydrophobicContact CE3-CD2 3.98Å; W285-L292 HydrophobicContact CG-CD2 4.32Å; W285-F322 AromaticContact CE3-CE1 3.83Å; W285-F322 HydrophobicContact CE3-CE1 3.83Å; W285-F322 AromaticContact CE3-CZ 3.92Å; W285-F322 HydrophobicContact CE3-CZ 3.92Å; W285-F322 AromaticContact CZ3-CE1 3.88Å; W285-F322 HydrophobicContact CZ3-CE1 3.88Å; W285-F322 HydrophobicContact CZ3-CZ 4.14Å; W285-F326 HydrophobicContact CH2-CD1 4.12Å; W285-F326 AromaticContact CH2-CE1 3.62Å; W285-F326 HydrophobicContact CH2-CE1 3.62Å; W285-F326 AromaticContact CH2-CZ 3.92Å; W285-F326 HydrophobicContact CH2-CZ 3.92Å; W285-F326 HydrophobicContact CZ3-CD1 4.09Å; W285-F326 AromaticContact CZ3-CE1 3.98Å; W285-F326 HydrophobicContact CZ3-CE1 3.98Å; W285-F326 HydrophobicContact CZ3-CG 4.4Å; W285-F326 HydrophobicContact CZ3-CZ 4.19Å
286	G	94.1	Very high	94.2	Very high	9 Å²	9	24.5 Å²	24.5	9%	0.093	15%	0.146	C	C	.	.	H	α-helix	trans	-64.3	-20.3	177.4	0	0	0	0	0	114.2	V282 L283 S284 G288 V289 P290	V282-G286 PolarHBondContact O-N 3.13Å; L283-G286 PolarHBondContact O-N 2.9Å; L283-G286 VanDerWaalsContact O-N 3.16Å; S284-G286 VanDerWaalsContact C-N 3.34Å; G286-G288 VanDerWaalsContact C-N 3.31Å; G286-V289 CarbonylContact O-C 3.54Å; G286-P290 WeakPolarHBondContact O-CA 3.47Å; G286-P290 WeakPolarHBondContact O-CG 3.49Å; G286-P290 VanDerWaalsContact O-N 3.15Å
287	A	92.5	Very high	93.2	Very high	41 Å²	41	29.4 Å²	29.4	34%	0.339	18%	0.18	S	C	.	.	H	α-helix	trans	-65.1	-38	172.5	0	0	0	0	0	111.6	K244 L283 S284 W285	K244-A287 HydrophobicContact CB-CB 4.13Å; K244-A287 WeakPolarHBondContact CB-O 3.13Å; K244-A287 WeakPolarHBondContact CD-O 3.27Å; K244-A287 WeakPolarHBondContact O-CB 3.31Å; L283-A287 PolarHBondContact O-N 2.89Å; S284-A287 WeakPolarHBondContact O-CB 3.24Å; S284-A287 PolarHBondContact O-N 3.32Å; W285-A287 PolarHBondContact O-N 2.81Å
288	G	92.4	Very high	91.6	Very high	9 Å²	9	33.8 Å²	33.8	9%	0.093	20%	0.203	C	C	.	.	H	α-helix	trans	-83.9	-37.7	176.7	0	0	0	0	0	113.8	E240 W285 G286	E240-G288 VanDerWaalsContact O-CA 3.28Å; E240-G288 WeakPolarHBondContact O-CA 2.98Å; W285-G288 PolarHBondContact O-N 2.81Å; W285-G288 VanDerWaalsContact O-N 3.11Å; G286-G288 VanDerWaalsContact C-N 3.31Å
289	V	95.1	Very high	90.1	Very high	16 Å²	16	36.2 Å²	36.2	10%	0.097	22%	0.218	C	C	.	.			trans	-133.1	79.1	-176.4	-173.4	0	0	0	0	109.5	I238 L241 W285 G286 E291 L292 F322	I238-V289 HydrophobicContact CG2-CG2 4.16Å; L241-V289 HydrophobicContact CD2-CG2 3.93Å; W285-V289 PolarHBondContact O-N 2.89Å; G286-V289 CarbonylContact O-C 3.54Å; V289-E291 HydrophobicContact CG1-CG 3.86Å; V289-E291 PolarHBondContact O-N 2.78Å; V289-E291 VanDerWaalsContact O-N 3.13Å; V289-L292 HydrophobicContact CB-CB 4.41Å; V289-L292 HydrophobicContact CG1-CB 4.26Å; V289-L292 WeakPolarHBondContact O-CB 3.14Å; V289-L292 PolarHBondContact O-N 3.44Å; V289-F322 HydrophobicContact CB-CE2 4.41Å; V289-F322 HydrophobicContact CG1-CD2 4.37Å; V289-F322 HydrophobicContact CG2-CD2 4.17Å; V289-F322 HydrophobicContact CG2-CE2 3.71Å; V289-F322 HydrophobicContact CG2-CZ 4.49Å
290	P	91.9	Very high	88.5	Confident	89 Å²	89	40.3 Å²	40.3	58%	0.578	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-57.3	-30.9	-172.7	-26.7	35.1	0	0	0	114.8	G286 L292 L293	G286-P290 WeakPolarHBondContact O-CA 3.47Å; G286-P290 WeakPolarHBondContact O-CG 3.49Å; G286-P290 VanDerWaalsContact O-N 3.15Å; P290-L292 PolarHBondContact O-N 3.14Å; P290-L293 PolarHBondContact O-N 3.5Å
291	E	92.7	Very high	87.3	Confident	74 Å²	74	46 Å²	46	35%	0.346	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-66.5	-12.4	177.5	64.2	-95.5	-134.3	0	0	114.4	V289 L293 R318 N319	V289-E291 HydrophobicContact CG1-CG 3.86Å; V289-E291 PolarHBondContact O-N 2.78Å; V289-E291 VanDerWaalsContact O-N 3.13Å; E291-L293 VanDerWaalsContact C-N 3.33Å; E291-R318 IonicContact OE1-CZ 2.82Å; E291-R318 VanDerWaalsContact OE1-CZ 3.31Å; E291-R318 IonicContact OE1-NH1 3.93Å; E291-R318 IonicContact OE1-NH2 3.52Å; E291-R318 PolarHBondContact OE1-NH2 3.39Å; E291-N319 PolarHBondContact O-OD1 3.46Å
292	L	95.3	Very high	86	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-68.7	-32.9	179.4	-170	66.8	0	0	0	112.2	W285 V289 P290 L312 N313 N319 F322	W285-L292 HydrophobicContact CB-CD2 3.58Å; W285-L292 HydrophobicContact CD2-CD2 4.39Å; W285-L292 HydrophobicContact CE3-CD2 3.98Å; W285-L292 HydrophobicContact CG-CD2 4.32Å; V289-L292 HydrophobicContact CB-CB 4.41Å; V289-L292 HydrophobicContact CG1-CB 4.26Å; V289-L292 WeakPolarHBondContact O-CB 3.14Å; V289-L292 PolarHBondContact O-N 3.44Å; P290-L292 PolarHBondContact O-N 3.14Å; L292-L312 HydrophobicContact CD1-CD1 3.54Å; L292-L312 HydrophobicContact CD1-CG 3.88Å; L292-L312 HydrophobicContact CD2-CD1 4.37Å; L292-L312 HydrophobicContact CG-CD1 3.93Å; L292-L312 HydrophobicContact CG-CG 4.05Å; L292-L312 CarbonylContact O-C 3.58Å; L292-L312 WeakPolarHBondContact O-CA 3.38Å; L292-N313 PolarHBondContact O-N 3Å; L292-N319 HydrophobicContact CD1-CB 3.98Å; L292-N319 PolarHBondContact O-ND2 3.21Å; L292-F322 HydrophobicContact CD1-CD1 3.72Å; L292-F322 HydrophobicContact CD1-CE1 4Å; L292-F322 HydrophobicContact CD1-CG 4.47Å; L292-F322 HydrophobicContact CD2-CD1 4.46Å; L292-F322 HydrophobicContact CD2-CE1 3.9Å; L292-F322 HydrophobicContact CD2-CZ 4.35Å
293	L	94.3	Very high	84.5	Confident	41 Å²	41	52.7 Å²	52.7	22%	0.215	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-88.1	151.9	-171.3	-58.4	-172.7	0	0	0	112.9	V282 L283 P290 E291	V282-L293 HydrophobicContact CB-CD2 4.19Å; V282-L293 HydrophobicContact CG2-CD2 3.47Å; V282-L293 VanDerWaalsContact CG2-CD2 3.47Å; L283-L293 HydrophobicContact CD2-CD1 4.24Å; P290-L293 PolarHBondContact O-N 3.5Å; E291-L293 VanDerWaalsContact C-N 3.33Å
294	T	94.2	Very high	83.1	Confident	12 Å²	12	55.5 Å²	55.5	7%	0.074	33%	0.327	C	S	.	.			trans	-72.5	139.3	169.3	-53.3	0	0	0	0	110	C296 T311 L312 N313 W351 D354 V357	T294-C296 VanDerWaalsContact C-N 3.34Å; T294-C296 VanDerWaalsContact CG2-SG 3.58Å; T294-C296 PolarHBondContact O-N 2.94Å; T294-T311 WeakPolarHBondContact CB-O 3.46Å; T294-T311 PolarHBondContact N-O 3.18Å; T294-T311 PolarHBondContact OG1-O 2.95Å; T294-L312 PolarHBondContact OG1-O 2.83Å; T294-N313 VanDerWaalsContact OG1-CA 3.3Å; T294-N313 WeakPolarHBondContact OG1-CA 3.49Å; T294-N313 PolarHBondContact OG1-N 3.08Å; T294-W351 PolarHBondContact OG1-NE1 3Å; T294-D354 HydrophobicContact CG2-CB 3.45Å; T294-D354 VanDerWaalsContact CG2-CB 3.45Å; T294-V357 HydrophobicContact CG2-CG2 3.88Å
295	N	90.7	Very high	81.4	Confident	131 Å²	131	58 Å²	58	70%	0.701	35%	0.353	S	S	*	.			trans	-83.1	81.9	177.8	-175.4	15.3	0	0	0	110.2	D354	N295-D354 WeakPolarHBondContact CB-OD2 3.47Å; N295-D354 PolarHBondContact N-OD2 2.78Å
296	C	85.1	Confident	79.8	Confident	23 Å²	23	62 Å²	62	16%	0.155	37%	0.373	C	S	.	.			trans	-83.4	124.1	-172.9	-58.8	0	0	0	0	111.8	T294 T299 C350 S353	T294-C296 VanDerWaalsContact C-N 3.34Å; T294-C296 VanDerWaalsContact CG2-SG 3.58Å; T294-C296 PolarHBondContact O-N 2.94Å; C296-T299 HydrophobicContact CB-CG2 3.84Å; C296-C350 HydrophobicContact CB-CB 3.99Å; C296-C350 WeakPolarHBondContact CB-SG 3.48Å; C296-C350 WeakPolarHBondContact SG-CA 3.37Å; C296-C350 WeakPolarHBondContact SG-CB 3.42Å; C296-C350 PolarHBondContact SG-O 2.97Å; C296-C350 CovalentContact SG-SG 2Å; C296-C350 PolarHBondContact SG-SG 2.81Å; C296-S353 VanDerWaalsContact CA-OG 3.31Å; C296-S353 WeakPolarHBondContact CA-OG 3.41Å
297	S	78.1	Confident	78.4	Confident	104 Å²	104	64.2 Å²	64.2	73%	0.727	39%	0.386	S	S	*	.	S	Bend	trans	-89.5	-17	172.8	57.7	0	0	0	0	112.5	S353	S297-S353 PolarHBondContact N-OG 3.49Å; S297-S353 WeakPolarHBondContact OG-CB 3.49Å; S297-S353 PolarHBondContact OG-O 3.38Å
298	N	65.5	Low	77.1	Confident	91 Å²	91	63.6 Å²	63.6	49%	0.487	38%	0.379	S	S	.	.			trans	-123.1	103.1	171.9	-163.6	21.1	0	0	0	107.9	S353	N298-S353 PolarHBondContact N-OG 3.39Å
299	T	64.8	Low	76.1	Confident	51 Å²	51	63.6 Å²	63.6	31%	0.313	38%	0.378	S	S	.	.			trans	-107.7	125	169.2	54.2	0	0	0	0	106.6	C296 I301 P307	C296-T299 HydrophobicContact CB-CG2 3.84Å; T299-I301 PolarHBondContact O-N 2.96Å; T299-P307 HydrophobicContact CG2-CB 4.21Å
300	D	63.7	Low	75.5	Confident	87 Å²	87	63 Å²	63	47%	0.465	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-54.8	143.1	163.9	-65.1	-46.6	0	0	0	107.6	P307 S308	D300-P307 CarbonylContact O-C 3.39Å; D300-P307 WeakPolarHBondContact O-CA 3.39Å; D300-S308 WeakPolarHBondContact CB-OG 3.01Å; D300-S308 WeakPolarHBondContact O-CA 3.35Å; D300-S308 VanDerWaalsContact O-CB 3.26Å; D300-S308 WeakPolarHBondContact O-CB 3.47Å; D300-S308 PolarHBondContact O-N 3.24Å; D300-S308 PolarHBondContact O-OG 3.19Å
301	I	68.8	Low	75.6	Confident	118 Å²	118	58.9 Å²	58.9	61%	0.605	35%	0.347	S	S	*	.	B	Isolated β-bridge	trans	-103.5	122	177.2	-62.9	179.9	0	0	0	105.8	T299 M306	T299-I301 PolarHBondContact O-N 2.96Å; I301-M306 CarbonylContact C-O 3.48Å; I301-M306 VanDerWaalsContact CA-O 3.31Å; I301-M306 WeakPolarHBondContact CA-O 3.16Å
302	N	67.3	Low	75.7	Confident	46 Å²	46	55.3 Å²	55.3	25%	0.246	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-68.5	173.1	177	64.2	28.5	0	0	0	111.3	Y304 G305 M306	N302-Y304 PolarHBondContact O-N 2.81Å; N302-Y304 WeakPolarHBondContact OD1-CB 3.47Å; N302-Y304 PolarHBondContact OD1-N 2.91Å; N302-Y304 VanDerWaalsContact OD1-N 3.08Å; N302-G305 PolarHBondContact O-N 2.96Å; N302-G305 PolarHBondContact OD1-N 2.9Å; N302-M306 PolarHBondContact N-O 3.28Å; N302-M306 PolarHBondContact OD1-N 3.45Å; N302-M306 VanDerWaalsContact OD1-N 3.11Å; N302-M306 PolarHBondContact OD1-O 3.11Å
303	A	63.6	Low	75.8	Confident	102 Å²	102	55.5 Å²	55.5	84%	0.843	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-15.4	-178.6	0	0	0	0	0	114.3
304	Y	63.8	Low	76	Confident	116 Å²	116	53.6 Å²	53.6	46%	0.455	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	1.8	-179.9	-46.1	-67.8	0	0	0	113.5	N302 M306 Y482	N302-Y304 PolarHBondContact O-N 2.81Å; N302-Y304 WeakPolarHBondContact OD1-CB 3.47Å; N302-Y304 PolarHBondContact OD1-N 2.91Å; N302-Y304 VanDerWaalsContact OD1-N 3.08Å; Y304-M306 VanDerWaalsContact C-N 3.34Å; Y304-M306 HydrophobicContact CD2-CE 4.38Å; Y304-Y482 HydrophobicContact CE1-CE1 4.26Å; Y304-Y482 AromaticContact CE1-CZ 3.97Å; Y304-Y482 WeakPolarHBondContact CE1-OH 3.09Å; Y304-Y482 WeakPolarHBondContact OH-CE2 3.39Å; Y304-Y482 PolarHBondContact OH-OH 3.45Å
305	G	58.2	Low	76.1	Confident	57 Å²	57	54.1 Å²	54.1	59%	0.588	33%	0.325	S	S	*	.	S	Bend	trans	81	11.8	-178.6	0	0	0	0	0	114.2	N302	N302-G305 PolarHBondContact O-N 2.96Å; N302-G305 PolarHBondContact OD1-N 2.9Å
306	M	63.6	Low	76.4	Confident	84 Å²	84	50.1 Å²	50.1	41%	0.414	30%	0.303	S	S	.	.	S	Bend	trans	-100.7	154.2	177.7	-60.1	-171.5	-68.2	0	0	110.5	T229 I301 N302 Y304 S308	T229-M306 HydrophobicContact CG2-CE 4.42Å; I301-M306 CarbonylContact C-O 3.48Å; I301-M306 VanDerWaalsContact CA-O 3.31Å; I301-M306 WeakPolarHBondContact CA-O 3.16Å; N302-M306 PolarHBondContact N-O 3.28Å; N302-M306 PolarHBondContact OD1-N 3.45Å; N302-M306 VanDerWaalsContact OD1-N 3.11Å; N302-M306 PolarHBondContact OD1-O 3.11Å; Y304-M306 VanDerWaalsContact C-N 3.34Å; Y304-M306 HydrophobicContact CD2-CE 4.38Å; M306-S308 PolarHBondContact O-N 2.98Å
307	P	65.1	Low	76.9	Confident	56 Å²	56	54.8 Å²	54.8	36%	0.364	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-49	133.3	166.8	-23.7	33.9	0	0	0	109.6	L283 T299 D300 T309	L283-P307 HydrophobicContact CD1-CB 4.18Å; T299-P307 HydrophobicContact CG2-CB 4.21Å; D300-P307 CarbonylContact O-C 3.39Å; D300-P307 WeakPolarHBondContact O-CA 3.39Å; P307-T309 VanDerWaalsContact C-N 3.35Å; P307-T309 PolarHBondContact O-N 3.02Å
308	S	64.5	Low	77.8	Confident	28 Å²	28	57.5 Å²	57.5	20%	0.196	32%	0.321	C	S	.	.	S	Bend	trans	-59.6	-49.9	-164.2	57.4	0	0	0	0	111	D300 M306	D300-S308 WeakPolarHBondContact CB-OG 3.01Å; D300-S308 WeakPolarHBondContact O-CA 3.35Å; D300-S308 VanDerWaalsContact O-CB 3.26Å; D300-S308 WeakPolarHBondContact O-CB 3.47Å; D300-S308 PolarHBondContact O-N 3.24Å; D300-S308 PolarHBondContact O-OG 3.19Å; M306-S308 PolarHBondContact O-N 2.98Å
309	T	72	Confident	79.3	Confident	10 Å²	10	53.2 Å²	53.2	6%	0.061	30%	0.298	C	S	.	.			trans	-154.1	145.6	-180	56.8	0	0	0	0	110.1	D228 H281 P307	D228-T309 VanDerWaalsContact OD2-CA 3.28Å; D228-T309 WeakPolarHBondContact OD2-CA 3.24Å; H281-T309 VanDerWaalsContact CE1-CG2 3.49Å; H281-T309 WeakPolarHBondContact CE1-CG2 3.37Å; P307-T309 VanDerWaalsContact C-N 3.35Å; P307-T309 PolarHBondContact O-N 3.02Å
310	G	83.1	Confident	80.8	Confident	3 Å²	3	51.6 Å²	51.6	3%	0.031	29%	0.286	C	S	.	.			trans	-79	137.3	169.5	0	0	0	0	0	107.3	D228 G280 H281 V282 L283	D228-G310 PolarHBondContact OD1-N 3.46Å; G280-G310 CarbonylContact C-O 3.49Å; H281-G310 PolarHBondContact N-O 3.1Å; V282-G310 WeakPolarHBondContact CG2-O 3.41Å; V282-G310 PolarHBondContact N-O 3.45Å; L283-G310 VanDerWaalsContact CG-CA 3.46Å; L283-G310 VanDerWaalsContact CG-N 3.33Å
311	T	92.7	Very high	82.4	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.012	29%	0.292	C	S	.	.			trans	-123.1	116.7	179	-42.6	0	0	0	0	109.9	P279 T294 V346 C350 W351	P279-T311 WeakPolarHBondContact O-CA 3.41Å; T294-T311 WeakPolarHBondContact CB-O 3.46Å; T294-T311 PolarHBondContact N-O 3.18Å; T294-T311 PolarHBondContact OG1-O 2.95Å; T311-V346 HydrophobicContact CG2-CG1 4Å; T311-C350 PolarHBondContact OG1-SG 3.27Å; T311-W351 HydrophobicContact CG2-CD2 4.27Å; T311-W351 HydrophobicContact CG2-CG 4.41Å; T311-W351 HydrophobicContact CG2-CZ2 3.93Å
312	L	96.3	Very high	83.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-56.1	140.8	175.7	-176.7	152.7	0	0	0	109.4	P279 V282 L292 T294 P314 L323 W351 Y376	P279-L312 HydrophobicContact CB-CB 3.87Å; P279-L312 PolarHBondContact O-N 2.93Å; V282-L312 HydrophobicContact CG2-CB 4.08Å; L292-L312 HydrophobicContact CD1-CD1 3.54Å; L292-L312 HydrophobicContact CD1-CG 3.88Å; L292-L312 HydrophobicContact CD2-CD1 4.37Å; L292-L312 HydrophobicContact CG-CD1 3.93Å; L292-L312 HydrophobicContact CG-CG 4.05Å; L292-L312 CarbonylContact O-C 3.58Å; L292-L312 WeakPolarHBondContact O-CA 3.38Å; T294-L312 PolarHBondContact OG1-O 2.83Å; L312-P314 WeakPolarHBondContact O-CD 3.37Å; L312-L323 HydrophobicContact CD1-CD1 4.16Å; L312-L323 HydrophobicContact CD1-CD2 4.32Å; L312-W351 PolarHBondContact O-NE1 3.45Å; L312-Y376 HydrophobicContact CD1-CE2 4.19Å; L312-Y376 HydrophobicContact CD2-CD2 3.92Å; L312-Y376 HydrophobicContact CD2-CE2 3.6Å
313	N	96.9	Very high	85.2	Confident	4 Å²	4	46 Å²	46	2%	0.021	26%	0.256	C	S	.	.			trans	-85.8	106.7	176	-170	-23	0	0	0	110.6	L292 T294 T315 I316 N319	L292-N313 PolarHBondContact O-N 3Å; T294-N313 VanDerWaalsContact OG1-CA 3.3Å; T294-N313 WeakPolarHBondContact OG1-CA 3.49Å; T294-N313 PolarHBondContact OG1-N 3.08Å; N313-T315 PolarHBondContact O-N 3.42Å; N313-T315 PolarHBondContact OD1-N 2.93Å; N313-T315 PolarHBondContact OD1-OG1 3.08Å; N313-I316 HydrophobicContact CB-CD1 3.99Å; N313-I316 HydrophobicContact CB-CG1 4.34Å; N313-N319 PolarHBondContact O-ND2 3.43Å
314	P	97.3	Very high	86.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-7.4	-176.1	34.1	-37.3	0	0	0	112.9	L312 I316 Y320 W351 L372 Y376	L312-P314 WeakPolarHBondContact O-CD 3.37Å; P314-I316 VanDerWaalsContact C-N 3.31Å; P314-I316 PolarHBondContact O-N 2.72Å; P314-Y320 WeakPolarHBondContact O-CE2 3.16Å; P314-Y320 PolarHBondContact O-OH 3.27Å; P314-Y320 VanDerWaalsContact O-OH 3.06Å; P314-W351 HydrophobicContact CG-CH2 4.42Å; P314-W351 HydrophobicContact CG-CZ2 3.82Å; P314-L372 HydrophobicContact CB-CD1 4.44Å; P314-L372 HydrophobicContact CG-CD1 3.78Å; P314-L372 HydrophobicContact CG-CD2 3.75Å; P314-L372 HydrophobicContact CG-CG 3.6Å; P314-Y376 HydrophobicContact CB-CD2 4.09Å; P314-Y376 HydrophobicContact CB-CG 4.46Å
315	T	97.2	Very high	88.3	Confident	23 Å²	23	38.7 Å²	38.7	14%	0.141	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	4	-175.3	80.6	0	0	0	0	113	N313 V357 F360 L372	N313-T315 PolarHBondContact O-N 3.42Å; N313-T315 PolarHBondContact OD1-N 2.93Å; N313-T315 PolarHBondContact OD1-OG1 3.08Å; T315-V357 HydrophobicContact CG2-CB 4.44Å; T315-V357 HydrophobicContact CG2-CG1 4.37Å; T315-V357 HydrophobicContact CG2-CG2 4.14Å; T315-F360 HydrophobicContact CG2-CB 3.58Å; T315-F360 HydrophobicContact CG2-CD1 3.57Å; T315-F360 HydrophobicContact CG2-CD2 4.12Å; T315-F360 HydrophobicContact CG2-CE1 4.26Å; T315-F360 HydrophobicContact CG2-CG 3.48Å; T315-F360 VanDerWaalsContact CG2-CG 3.48Å; T315-L372 HydrophobicContact CG2-CD1 4.32Å
316	I	96.6	Very high	90.2	Very high	48 Å²	48	36 Å²	36	25%	0.246	19%	0.189	C	C	.	.			trans	-111.1	110	-176.6	-59.2	177.9	0	0	0	109	N313 P314 R318 N319	N313-I316 HydrophobicContact CB-CD1 3.99Å; N313-I316 HydrophobicContact CB-CG1 4.34Å; P314-I316 VanDerWaalsContact C-N 3.31Å; P314-I316 PolarHBondContact O-N 2.72Å; I316-R318 HydrophobicContact CG2-CB 4.13Å; I316-R318 PolarHBondContact O-N 3.15Å; I316-R318 VanDerWaalsContact O-N 3.15Å; I316-N319 WeakPolarHBondContact O-CB 3.42Å; I316-N319 PolarHBondContact O-N 3.03Å
317	D	95.5	Very high	91.9	Very high	120 Å²	120	32 Å²	32	64%	0.642	17%	0.169	S	C	*	.	H	α-helix	trans	-54.1	-38.2	-178.4	-72.2	-17.7	0	0	0	113.2	N319 Y320 D321	D317-N319 PolarHBondContact O-N 3.45Å; D317-Y320 WeakPolarHBondContact O-CB 3.32Å; D317-Y320 PolarHBondContact O-N 3.07Å; D317-D321 PolarHBondContact O-N 2.76Å
318	R	96.4	Very high	93.4	Very high	162 Å²	162	34 Å²	34	61%	0.611	17%	0.174	S	C	*	.	H	α-helix	trans	-61.4	-25.4	179	-173.3	173.2	172.7	-149.2	-19.4	113.3	E291 I316 Y320 D321 F322	E291-R318 IonicContact OE1-CZ 2.82Å; E291-R318 VanDerWaalsContact OE1-CZ 3.31Å; E291-R318 IonicContact OE1-NH1 3.93Å; E291-R318 IonicContact OE1-NH2 3.52Å; E291-R318 PolarHBondContact OE1-NH2 3.39Å; I316-R318 HydrophobicContact CG2-CB 4.13Å; I316-R318 PolarHBondContact O-N 3.15Å; I316-R318 VanDerWaalsContact O-N 3.15Å; R318-Y320 VanDerWaalsContact C-N 3.27Å; R318-Y320 PolarHBondContact O-N 2.92Å; R318-D321 PolarHBondContact O-N 3.39Å; R318-F322 PolarHBondContact O-N 2.71Å
319	N	97.1	Very high	95	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-67.3	-32.1	175.5	-70	-8.2	0	0	0	111	E291 L292 N313 I316 D317 F322 L323	E291-N319 PolarHBondContact O-OD1 3.46Å; L292-N319 HydrophobicContact CD1-CB 3.98Å; L292-N319 PolarHBondContact O-ND2 3.21Å; N313-N319 PolarHBondContact O-ND2 3.43Å; I316-N319 WeakPolarHBondContact O-CB 3.42Å; I316-N319 PolarHBondContact O-N 3.03Å; D317-N319 PolarHBondContact O-N 3.45Å; N319-F322 WeakPolarHBondContact O-CB 3.4Å; N319-F322 PolarHBondContact O-N 3.35Å; N319-L323 VanDerWaalsContact O-CG 3.27Å; N319-L323 WeakPolarHBondContact O-CG 3.48Å; N319-L323 PolarHBondContact O-N 3.32Å
320	Y	98	Very high	96.2	Very high	17 Å²	17	32.7 Å²	32.7	7%	0.067	16%	0.164	C	C	.	.	H	α-helix	trans	-72.9	-34.3	174.3	-63.7	-67.8	0	0	0	112.6	P314 D317 R318 F322 L323 A324 Y375 Y376 N379 I383	P314-Y320 WeakPolarHBondContact O-CE2 3.16Å; P314-Y320 PolarHBondContact O-OH 3.27Å; P314-Y320 VanDerWaalsContact O-OH 3.06Å; D317-Y320 WeakPolarHBondContact O-CB 3.32Å; D317-Y320 PolarHBondContact O-N 3.07Å; R318-Y320 VanDerWaalsContact C-N 3.27Å; R318-Y320 PolarHBondContact O-N 2.92Å; Y320-F322 VanDerWaalsContact C-N 3.34Å; Y320-L323 HydrophobicContact CD1-CD1 4.24Å; Y320-L323 PolarHBondContact O-N 2.78Å; Y320-A324 WeakPolarHBondContact O-CB 3.23Å; Y320-A324 PolarHBondContact O-N 2.87Å; Y320-Y375 HydrophobicContact CE2-CE1 4.32Å; Y320-Y375 WeakPolarHBondContact OH-CE1 3.42Å; Y320-Y376 AromaticContact CE1-CD2 3.99Å; Y320-Y376 HydrophobicContact CE1-CD2 3.99Å; Y320-Y376 HydrophobicContact CE1-CE2 4.25Å; Y320-Y376 WeakPolarHBondContact OH-CA 3.43Å; Y320-N379 HydrophobicContact CD1-CB 3.73Å; Y320-N379 HydrophobicContact CE1-CB 3.35Å; Y320-N379 HydrophobicContact CE2-CB 4.24Å; Y320-N379 HydrophobicContact CG-CB 4.31Å; Y320-I383 HydrophobicContact CD1-CD1 4.2Å; Y320-I383 HydrophobicContact CG-CD1 4.49Å; Y320-I383 VanDerWaalsContact O-CD1 3.25Å; Y320-I383 WeakPolarHBondContact O-CD1 3.48Å
321	D	96.1	Very high	96.8	Very high	110 Å²	110	33.6 Å²	33.6	59%	0.588	17%	0.167	S	C	*	.	H	α-helix	trans	-64.5	-39.7	171.5	-69	-32.2	0	0	0	111.9	D317 R318 A324 S325	D317-D321 PolarHBondContact O-N 2.76Å; R318-D321 PolarHBondContact O-N 3.39Å; D321-A324 PolarHBondContact O-N 3.03Å; D321-S325 PolarHBondContact O-N 3.29Å; D321-S325 VanDerWaalsContact O-N 3.08Å; D321-S325 PolarHBondContact O-OG 3.1Å
322	F	97.1	Very high	97	Very high	23 Å²	23	40.5 Å²	40.5	10%	0.101	20%	0.199	C	C	.	.	H	α-helix	trans	-59.7	-52.9	171.9	164.6	-91.1	0	0	0	111	I238 L241 W285 V289 L292 R318 N319 Y320 A324 S325 F326	I238-F322 HydrophobicContact CD1-CD2 3.48Å; I238-F322 VanDerWaalsContact CD1-CD2 3.48Å; I238-F322 HydrophobicContact CD1-CE2 3.29Å; I238-F322 HydrophobicContact CD1-CZ 4.2Å; I238-F322 HydrophobicContact CG1-CE2 4.5Å; I238-F322 HydrophobicContact CG2-CE2 4.14Å; L241-F322 HydrophobicContact CD1-CE2 4.11Å; L241-F322 HydrophobicContact CD1-CZ 3.95Å; L241-F322 HydrophobicContact CD2-CE2 4.16Å; L241-F322 HydrophobicContact CD2-CZ 3.95Å; L241-F322 HydrophobicContact CG-CE2 4.49Å; L241-F322 HydrophobicContact CG-CZ 4.5Å; W285-F322 AromaticContact CE3-CE1 3.83Å; W285-F322 HydrophobicContact CE3-CE1 3.83Å; W285-F322 AromaticContact CE3-CZ 3.92Å; W285-F322 HydrophobicContact CE3-CZ 3.92Å; W285-F322 AromaticContact CZ3-CE1 3.88Å; W285-F322 HydrophobicContact CZ3-CE1 3.88Å; W285-F322 HydrophobicContact CZ3-CZ 4.14Å; V289-F322 HydrophobicContact CB-CE2 4.41Å; V289-F322 HydrophobicContact CG1-CD2 4.37Å; V289-F322 HydrophobicContact CG2-CD2 4.17Å; V289-F322 HydrophobicContact CG2-CE2 3.71Å; V289-F322 HydrophobicContact CG2-CZ 4.49Å; L292-F322 HydrophobicContact CD1-CD1 3.72Å; L292-F322 HydrophobicContact CD1-CE1 4Å; L292-F322 HydrophobicContact CD1-CG 4.47Å; L292-F322 HydrophobicContact CD2-CD1 4.46Å; L292-F322 HydrophobicContact CD2-CE1 3.9Å; L292-F322 HydrophobicContact CD2-CZ 4.35Å; R318-F322 PolarHBondContact O-N 2.71Å; N319-F322 WeakPolarHBondContact O-CB 3.4Å; N319-F322 PolarHBondContact O-N 3.35Å; Y320-F322 VanDerWaalsContact C-N 3.34Å; F322-A324 VanDerWaalsContact C-N 3.26Å; F322-A324 PolarHBondContact O-N 2.87Å; F322-S325 PolarHBondContact O-N 3.41Å; F322-S325 VanDerWaalsContact O-N 3.13Å; F322-F326 WeakPolarHBondContact O-CB 3.35Å; F322-F326 PolarHBondContact O-N 3Å
323	L	97.8	Very high	96.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.1	-38.8	178.9	-68.8	169.3	0	0	0	111.4	L312 N319 Y320 F326 F327 Y376 L380	L312-L323 HydrophobicContact CD1-CD1 4.16Å; L312-L323 HydrophobicContact CD1-CD2 4.32Å; N319-L323 VanDerWaalsContact O-CG 3.27Å; N319-L323 WeakPolarHBondContact O-CG 3.48Å; N319-L323 PolarHBondContact O-N 3.32Å; Y320-L323 HydrophobicContact CD1-CD1 4.24Å; Y320-L323 PolarHBondContact O-N 2.78Å; L323-F326 PolarHBondContact O-N 3.18Å; L323-F327 HydrophobicContact CB-CD2 4.37Å; L323-F327 HydrophobicContact CD2-CE2 4.12Å; L323-F327 WeakPolarHBondContact O-CB 3.23Å; L323-F327 VanDerWaalsContact O-CD2 3.31Å; L323-F327 WeakPolarHBondContact O-CD2 3.49Å; L323-F327 PolarHBondContact O-N 2.86Å; L323-Y376 HydrophobicContact CD1-CE2 3.85Å; L323-L380 HydrophobicContact CB-CD1 4.43Å; L323-L380 HydrophobicContact CD1-CD1 4.38Å
324	A	97.3	Very high	97	Very high	13 Å²	13	41.2 Å²	41.2	11%	0.107	20%	0.203	C	C	.	.	H	α-helix	trans	-62	-44.2	176	0	0	0	0	0	112.8	Y320 D321 F322 Q328 I383	Y320-A324 WeakPolarHBondContact O-CB 3.23Å; Y320-A324 PolarHBondContact O-N 2.87Å; D321-A324 PolarHBondContact O-N 3.03Å; F322-A324 VanDerWaalsContact C-N 3.26Å; F322-A324 PolarHBondContact O-N 2.87Å; A324-Q328 WeakPolarHBondContact O-CB 3.48Å; A324-Q328 PolarHBondContact O-N 2.87Å; A324-Q328 VanDerWaalsContact O-N 3.1Å; A324-I383 VanDerWaalsContact CA-CG2 3.47Å; A324-I383 HydrophobicContact CB-CD1 4.29Å; A324-I383 HydrophobicContact CB-CG1 4.25Å; A324-I383 HydrophobicContact CB-CG2 3.6Å
325	S	96.5	Very high	96.8	Very high	51 Å²	51	45 Å²	45	36%	0.357	23%	0.226	S	C	.	.	H	α-helix	trans	-67.2	-42.6	177.3	-56.1	0	0	0	0	111.3	D321 F322 E329	D321-S325 PolarHBondContact O-N 3.29Å; D321-S325 VanDerWaalsContact O-N 3.08Å; D321-S325 PolarHBondContact O-OG 3.1Å; F322-S325 PolarHBondContact O-N 3.41Å; F322-S325 VanDerWaalsContact O-N 3.13Å; S325-E329 PolarHBondContact O-N 2.81Å
326	F	97.8	Very high	96.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.5	-54.6	179.3	179.7	-99.8	0	0	0	112.2	F231 Y233 I238 L241 F276 W285 F322 L323 Q328 E329 A330	F231-F326 AromaticContact CZ-CE2 3.75Å; F231-F326 HydrophobicContact CZ-CE2 3.75Å; F231-F326 HydrophobicContact CZ-CZ 4.01Å; Y233-F326 AromaticContact CD1-CE2 3.93Å; Y233-F326 HydrophobicContact CD1-CE2 3.93Å; Y233-F326 HydrophobicContact CD1-CZ 4.04Å; Y233-F326 AromaticContact CE1-CE2 3.77Å; Y233-F326 HydrophobicContact CE1-CE2 3.77Å; Y233-F326 HydrophobicContact CE1-CZ 4.02Å; I238-F326 HydrophobicContact CD1-CB 4.34Å; L241-F326 HydrophobicContact CD1-CD2 3.91Å; L241-F326 HydrophobicContact CD1-CE2 3.99Å; F276-F326 HydrophobicContact CB-CE1 4.18Å; F276-F326 AromaticContact CD1-CE1 3.69Å; F276-F326 HydrophobicContact CD1-CE1 3.69Å; F276-F326 AromaticContact CD1-CZ 3.51Å; F276-F326 HydrophobicContact CD1-CZ 3.51Å; F276-F326 HydrophobicContact CD2-CE1 4.01Å; F276-F326 HydrophobicContact CD2-CZ 4.39Å; F276-F326 HydrophobicContact CE1-CE1 4.03Å; F276-F326 AromaticContact CE1-CZ 3.47Å; F276-F326 HydrophobicContact CE1-CZ 3.47Å; F276-F326 VanDerWaalsContact CE1-CZ 3.47Å; F276-F326 HydrophobicContact CE2-CE1 4.3Å; F276-F326 HydrophobicContact CE2-CZ 4.34Å; F276-F326 AromaticContact CG-CE1 3.68Å; F276-F326 HydrophobicContact CG-CE1 3.68Å; F276-F326 AromaticContact CG-CZ 4Å; F276-F326 HydrophobicContact CG-CZ 4Å; F276-F326 HydrophobicContact CZ-CE1 4.31Å; F276-F326 AromaticContact CZ-CZ 3.9Å; F276-F326 HydrophobicContact CZ-CZ 3.9Å; W285-F326 HydrophobicContact CH2-CD1 4.12Å; W285-F326 AromaticContact CH2-CE1 3.62Å; W285-F326 HydrophobicContact CH2-CE1 3.62Å; W285-F326 AromaticContact CH2-CZ 3.92Å; W285-F326 HydrophobicContact CH2-CZ 3.92Å; W285-F326 HydrophobicContact CZ3-CD1 4.09Å; W285-F326 AromaticContact CZ3-CE1 3.98Å; W285-F326 HydrophobicContact CZ3-CE1 3.98Å; W285-F326 HydrophobicContact CZ3-CG 4.4Å; W285-F326 HydrophobicContact CZ3-CZ 4.19Å; F322-F326 WeakPolarHBondContact O-CB 3.35Å; F322-F326 PolarHBondContact O-N 3Å; L323-F326 PolarHBondContact O-N 3.18Å; F326-Q328 VanDerWaalsContact C-N 3.29Å; F326-Q328 PolarHBondContact O-N 3.46Å; F326-E329 PolarHBondContact O-N 3.29Å; F326-A330 PolarHBondContact O-N 3.05Å
327	F	97.9	Very high	96.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.3	-28	-179.1	-79.8	-70.2	0	0	0	112.9	F276 L323 E329 A330 F331 L341 L380 L384 L387	F276-F327 HydrophobicContact CB-CE1 4.15Å; F276-F327 HydrophobicContact CB-CZ 4.13Å; F276-F327 HydrophobicContact CD2-CE1 4.25Å; L323-F327 HydrophobicContact CB-CD2 4.37Å; L323-F327 HydrophobicContact CD2-CE2 4.12Å; L323-F327 WeakPolarHBondContact O-CB 3.23Å; L323-F327 VanDerWaalsContact O-CD2 3.31Å; L323-F327 WeakPolarHBondContact O-CD2 3.49Å; L323-F327 PolarHBondContact O-N 2.86Å; F327-E329 VanDerWaalsContact C-N 3.32Å; F327-E329 PolarHBondContact O-N 3.35Å; F327-A330 PolarHBondContact O-N 2.97Å; F327-F331 HydrophobicContact CD1-CD1 4.38Å; F327-F331 AromaticContact CD1-CE1 3.71Å; F327-F331 HydrophobicContact CD1-CE1 3.71Å; F327-F331 HydrophobicContact CD1-CZ 4.16Å; F327-F331 HydrophobicContact CE1-CE1 4.43Å; F327-F331 WeakPolarHBondContact O-CB 3.48Å; F327-F331 WeakPolarHBondContact O-CG 3.3Å; F327-F331 PolarHBondContact O-N 2.98Å; F327-L341 HydrophobicContact CE1-CD2 4.03Å; F327-L341 HydrophobicContact CZ-CD2 3.98Å; F327-L380 HydrophobicContact CD2-CD1 4.04Å; F327-L380 HydrophobicContact CE2-CD1 3.8Å; F327-L384 HydrophobicContact CB-CD2 3.64Å; F327-L384 HydrophobicContact CD1-CD2 3.99Å; F327-L384 HydrophobicContact CD2-CD2 3.76Å; F327-L384 HydrophobicContact CE2-CD2 4.39Å; F327-L384 HydrophobicContact CG-CD2 3.53Å; F327-L387 HydrophobicContact CB-CD1 3.88Å
328	Q	97.2	Very high	96.9	Very high	99 Å²	99	38.5 Å²	38.5	46%	0.463	20%	0.195	S	C	.	.	H	α-helix	trans	-60.7	-41.8	172.3	-179.1	176.4	46.4	0	0	111.8	A324 F326 Q332 L387	A324-Q328 WeakPolarHBondContact O-CB 3.48Å; A324-Q328 PolarHBondContact O-N 2.87Å; A324-Q328 VanDerWaalsContact O-N 3.1Å; F326-Q328 VanDerWaalsContact C-N 3.29Å; F326-Q328 PolarHBondContact O-N 3.46Å; Q328-Q332 WeakPolarHBondContact O-CG 3.46Å; Q328-L387 HydrophobicContact CB-CD1 4.28Å; Q328-L387 HydrophobicContact CB-CD2 3.8Å; Q328-L387 HydrophobicContact CG-CD2 4.05Å
329	E	97.5	Very high	97	Very high	10 Å²	10	30.8 Å²	30.8	5%	0.047	17%	0.166	C	C	.	.	H	α-helix	trans	-71	-47.8	174.4	-178	-172.9	77.1	0	0	111.3	Y233 S235 K236 L237 Q255 S325 F326 F327 F331 Q332	Y233-E329 PolarHBondContact OH-OE1 3.07Å; Y233-E329 VanDerWaalsContact OH-OE1 3.14Å; S235-E329 WeakPolarHBondContact CA-OE1 3.45Å; S235-E329 WeakPolarHBondContact CB-OE1 3.31Å; S235-E329 PolarHBondContact OG-OE1 3.25Å; S235-E329 PolarHBondContact OG-OE2 2.88Å; K236-E329 VanDerWaalsContact CA-OE2 3.31Å; K236-E329 WeakPolarHBondContact CA-OE2 3.14Å; K236-E329 VanDerWaalsContact CB-OE2 3.3Å; K236-E329 WeakPolarHBondContact CB-OE2 3.22Å; K236-E329 PolarHBondContact N-OE1 3.08Å; K236-E329 PolarHBondContact N-OE2 3.08Å; L237-E329 HydrophobicContact CD1-CB 3.9Å; L237-E329 HydrophobicContact CG-CB 4.27Å; L237-E329 PolarHBondContact N-OE2 2.9Å; Q255-E329 PolarHBondContact NE2-OE2 2.86Å; S325-E329 PolarHBondContact O-N 2.81Å; F326-E329 PolarHBondContact O-N 3.29Å; F327-E329 VanDerWaalsContact C-N 3.32Å; F327-E329 PolarHBondContact O-N 3.35Å; E329-F331 VanDerWaalsContact C-N 3.3Å; E329-F331 PolarHBondContact O-N 3.27Å; E329-Q332 WeakPolarHBondContact O-CB 3.33Å; E329-Q332 PolarHBondContact O-N 2.85Å; E329-Q332 VanDerWaalsContact O-N 3.08Å
330	A	97.4	Very high	97.1	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-57.5	-42.6	-177.4	0	0	0	0	0	111.8	F276 F326 F327 Q332 L333 F334	F276-A330 HydrophobicContact CE2-CB 3.91Å; F326-A330 PolarHBondContact O-N 3.05Å; F327-A330 PolarHBondContact O-N 2.97Å; A330-Q332 VanDerWaalsContact C-N 3.27Å; A330-Q332 PolarHBondContact O-N 2.88Å; A330-L333 PolarHBondContact O-N 3.17Å; A330-F334 HydrophobicContact CB-CD2 4.39Å; A330-F334 WeakPolarHBondContact O-CD2 3.47Å; A330-F334 PolarHBondContact O-N 3.2Å
331	F	96.5	Very high	97.1	Very high	21 Å²	21	30 Å²	30	9%	0.092	16%	0.162	C	C	.	.	H	α-helix	trans	-69.9	-19.8	-179.5	-72.4	5.6	0	0	0	113.8	F327 E329 L333 V339 L384 L387 D388 R391 F393	F327-F331 HydrophobicContact CD1-CD1 4.38Å; F327-F331 AromaticContact CD1-CE1 3.71Å; F327-F331 HydrophobicContact CD1-CE1 3.71Å; F327-F331 HydrophobicContact CD1-CZ 4.16Å; F327-F331 HydrophobicContact CE1-CE1 4.43Å; F327-F331 WeakPolarHBondContact O-CB 3.48Å; F327-F331 WeakPolarHBondContact O-CG 3.3Å; F327-F331 PolarHBondContact O-N 2.98Å; E329-F331 VanDerWaalsContact C-N 3.3Å; E329-F331 PolarHBondContact O-N 3.27Å; F331-L333 VanDerWaalsContact C-N 3.29Å; F331-V339 HydrophobicContact CD1-CG2 4.29Å; F331-V339 HydrophobicContact CE1-CB 4.28Å; F331-V339 HydrophobicContact CE1-CG1 4.27Å; F331-V339 HydrophobicContact CE1-CG2 3.79Å; F331-L384 HydrophobicContact CE2-CD2 4.07Å; F331-L384 HydrophobicContact CZ-CD2 3.78Å; F331-L387 HydrophobicContact CD2-CB 4.1Å; F331-L387 HydrophobicContact CE2-CB 4.34Å; F331-D388 HydrophobicContact CD2-CB 4.01Å; F331-D388 HydrophobicContact CE2-CB 4.27Å; F331-R391 VanDerWaalsContact CZ-CD 3.5Å; F331-F393 HydrophobicContact CZ-CE1 4.09Å
332	Q	95.8	Very high	97.2	Very high	148 Å²	148	24.7 Å²	24.7	69%	0.692	13%	0.134	S	C	*	.	H	α-helix	trans	-72.7	-26.1	171	-68.3	173.9	17.5	0	0	112.2	Q328 E329 A330	Q328-Q332 WeakPolarHBondContact O-CG 3.46Å; E329-Q332 WeakPolarHBondContact O-CB 3.33Å; E329-Q332 PolarHBondContact O-N 2.85Å; E329-Q332 VanDerWaalsContact O-N 3.08Å; A330-Q332 VanDerWaalsContact C-N 3.27Å; A330-Q332 PolarHBondContact O-N 2.88Å
333	L	96	Very high	97.2	Very high	16 Å²	16	23.6 Å²	23.6	8%	0.084	13%	0.13	C	C	.	.	H	α-helix	trans	-97.5	-48	-175.8	-175.6	59.1	0	0	0	111.9	Y233 Q255 V258 K259 I262 A330 F331 T335	Y233-L333 HydrophobicContact CE2-CD2 3.83Å; Q255-L333 HydrophobicContact CB-CD2 4.29Å; Q255-L333 HydrophobicContact CG-CD2 4.05Å; V258-L333 HydrophobicContact CB-CD1 4.35Å; V258-L333 HydrophobicContact CB-CD2 3.83Å; V258-L333 HydrophobicContact CB-CG 4.25Å; V258-L333 HydrophobicContact CG1-CD1 4.01Å; V258-L333 HydrophobicContact CG1-CD2 3.55Å; V258-L333 HydrophobicContact CG1-CG 3.59Å; V258-L333 HydrophobicContact CG2-CD2 4.24Å; K259-L333 HydrophobicContact CD-CD1 4.42Å; K259-L333 HydrophobicContact CG-CD1 3.55Å; I262-L333 WeakPolarHBondContact CD1-O 3.45Å; A330-L333 PolarHBondContact O-N 3.17Å; F331-L333 VanDerWaalsContact C-N 3.29Å; L333-T335 PolarHBondContact O-N 2.83Å
334	F	97.2	Very high	97.1	Very high	2 Å²	2	24 Å²	24	1%	0.009	13%	0.132	C	C	.	.			trans	-92.7	89.5	179.4	-62	-79.1	0	0	0	110.2	W223 I225 Y233 V258 I262 V272 V274 F276 A330 D336 R391	W223-F334 HydrophobicContact CE3-CE1 4.16Å; W223-F334 HydrophobicContact CZ3-CE1 4.3Å; I225-F334 HydrophobicContact CD1-CZ 4.24Å; Y233-F334 HydrophobicContact CE2-CE2 4.11Å; V258-F334 HydrophobicContact CG1-CD1 4.26Å; V258-F334 HydrophobicContact CG1-CE1 3.49Å; V258-F334 VanDerWaalsContact CG1-CE1 3.49Å; V258-F334 HydrophobicContact CG1-CE2 4.22Å; V258-F334 HydrophobicContact CG1-CZ 3.47Å; V258-F334 VanDerWaalsContact CG1-CZ 3.47Å; V258-F334 HydrophobicContact CG2-CZ 4.34Å; I262-F334 HydrophobicContact CD1-CD1 3.94Å; I262-F334 HydrophobicContact CD1-CE1 4.32Å; V272-F334 HydrophobicContact CG1-CD1 4.47Å; V274-F334 HydrophobicContact CB-CB 4.45Å; V274-F334 HydrophobicContact CB-CD1 3.6Å; V274-F334 HydrophobicContact CB-CD2 4.25Å; V274-F334 HydrophobicContact CB-CE1 3.75Å; V274-F334 HydrophobicContact CB-CE2 4.39Å; V274-F334 HydrophobicContact CB-CG 3.85Å; V274-F334 HydrophobicContact CB-CZ 4.14Å; V274-F334 HydrophobicContact CG1-CB 3.74Å; V274-F334 HydrophobicContact CG1-CD1 3.82Å; V274-F334 HydrophobicContact CG1-CD2 3.81Å; V274-F334 HydrophobicContact CG1-CE1 4.33Å; V274-F334 HydrophobicContact CG1-CE2 4.34Å; V274-F334 HydrophobicContact CG1-CG 3.52Å; V274-F334 HydrophobicContact CG2-CD1 4.13Å; V274-F334 HydrophobicContact CG2-CD2 4.34Å; V274-F334 HydrophobicContact CG2-CE1 3.78Å; V274-F334 HydrophobicContact CG2-CE2 4.03Å; V274-F334 HydrophobicContact CG2-CG 4.39Å; V274-F334 HydrophobicContact CG2-CZ 3.72Å; F276-F334 HydrophobicContact CE2-CD2 4.16Å; F276-F334 AromaticContact CE2-CE2 3.96Å; F276-F334 HydrophobicContact CE2-CE2 3.96Å; F276-F334 AromaticContact CZ-CE2 3.86Å; F276-F334 HydrophobicContact CZ-CE2 3.86Å; F276-F334 HydrophobicContact CZ-CZ 4.47Å; A330-F334 HydrophobicContact CB-CD2 4.39Å; A330-F334 WeakPolarHBondContact O-CD2 3.47Å; A330-F334 PolarHBondContact O-N 3.2Å; F334-D336 PolarHBondContact O-N 2.78Å; F334-R391 PolarHBondContact O-NH1 2.93Å
335	T	94.5	Very high	96.9	Very high	80 Å²	80	28.2 Å²	28.2	49%	0.491	15%	0.149	S	C	.	.			trans	-89	5.7	-170.2	57.4	0	0	0	0	114.9	N120 L333	N120-T335 PolarHBondContact ND2-OG1 2.78Å; L333-T335 PolarHBondContact O-N 2.83Å
336	D	97.7	Very high	96.7	Very high	8 Å²	8	26.7 Å²	26.7	4%	0.043	14%	0.138	C	C	.	.	S	Bend	trans	-61.2	146.9	173.1	-167.5	-88.3	0	0	0	110.9	R271 V272 F334 A338 R391	R271-D336 VanDerWaalsContact CB-OD2 3.31Å; R271-D336 WeakPolarHBondContact CB-OD2 3.47Å; R271-D336 WeakPolarHBondContact CG-OD2 3.08Å; R271-D336 IonicContact CZ-OD1 3.43Å; R271-D336 IonicContact CZ-OD2 3.17Å; R271-D336 IonicContact NE-OD1 3.89Å; R271-D336 IonicContact NE-OD2 3.27Å; R271-D336 PolarHBondContact NE-OD2 3.35Å; R271-D336 IonicContact NH2-OD1 3.27Å; R271-D336 PolarHBondContact NH2-OD1 3.23Å; R271-D336 IonicContact NH2-OD2 3.95Å; V272-D336 WeakPolarHBondContact O-CB 3.23Å; F334-D336 PolarHBondContact O-N 2.78Å; D336-A338 PolarHBondContact O-N 3.24Å; D336-A338 VanDerWaalsContact O-N 3.12Å; D336-A338 PolarHBondContact OD1-N 3.42Å; D336-R391 VanDerWaalsContact O-CZ 3.28Å; D336-R391 PolarHBondContact O-NH1 2.77Å
337	S	95.8	Very high	96.4	Very high	44 Å²	44	27.2 Å²	27.2	31%	0.308	14%	0.141	S	C	.	.	S	Bend	trans	-63.6	-12.5	177.4	61.7	0	0	0	0	114.3	R392	S337-R392 PolarHBondContact O-N 2.68Å
338	A	97.5	Very high	96.2	Very high	2 Å²	2	29.8 Å²	29.8	2%	0.017	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.4	176.8	0	0	0	0	0	112.4	V273 D336 R392 I394	V273-A338 HydrophobicContact CG2-CB 4.48Å; D336-A338 PolarHBondContact O-N 3.24Å; D336-A338 VanDerWaalsContact O-N 3.12Å; D336-A338 PolarHBondContact OD1-N 3.42Å; A338-R392 VanDerWaalsContact CA-O 3.28Å; A338-R392 WeakPolarHBondContact CA-O 3.03Å; A338-R392 HydrophobicContact CB-CB 4.37Å; A338-I394 HydrophobicContact CB-CD1 4.08Å; A338-I394 HydrophobicContact CB-CG1 4.48Å
339	V	98.1	Very high	95.9	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	139.2	169.2	171.1	0	0	0	0	108.1	V274 F331 L341 R392 F393 I394	V274-V339 HydrophobicContact CG1-CG1 4.18Å; V274-V339 HydrophobicContact CG1-CG2 4.29Å; F331-V339 HydrophobicContact CD1-CG2 4.29Å; F331-V339 HydrophobicContact CE1-CB 4.28Å; F331-V339 HydrophobicContact CE1-CG1 4.27Å; F331-V339 HydrophobicContact CE1-CG2 3.79Å; V339-L341 HydrophobicContact CG1-CD2 4.12Å; V339-R392 PolarHBondContact N-O 3.13Å; V339-R392 VanDerWaalsContact N-O 3.11Å; V339-F393 WeakPolarHBondContact O-CA 3.39Å; V339-I394 PolarHBondContact O-N 3.39Å
340	H	98.7	Very high	95.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	125.3	173.9	-157.5	-71.3	0	0	0	108.6	H222 V273 V274 E275 F276 G342 I394 W396 Q413	H222-H340 AromaticContact CE1-CD2 3.37Å; H222-H340 PolarHBondContact CE1-CD2 2.75Å; H222-H340 AromaticContact CE1-CG 3.83Å; H222-H340 AromaticContact CE1-NE2 3.77Å; H222-H340 AromaticContact NE2-CD2 3.82Å; H222-H340 AromaticContact NE2-CG 3.81Å; V273-H340 HydrophobicContact CG1-CB 4.39Å; V274-H340 PolarHBondContact O-N 3.14Å; E275-H340 WeakPolarHBondContact CA-O 3.22Å; E275-H340 HydrophobicContact CB-CB 3.72Å; E275-H340 VanDerWaalsContact CD-ND1 3.27Å; E275-H340 HydrophobicContact CG-CB 3.91Å; E275-H340 IonicContact OE1-CE1 3.7Å; E275-H340 PolarHBondContact OE1-CE1 2.85Å; E275-H340 VanDerWaalsContact OE1-CE1 3.31Å; E275-H340 IonicContact OE1-CG 3.23Å; E275-H340 IonicContact OE1-ND1 3.57Å; E275-H340 PolarHBondContact OE1-ND1 2.95Å; E275-H340 IonicContact OE2-ND1 3.42Å; F276-H340 PolarHBondContact N-O 2.86Å; H340-G342 WeakPolarHBondContact ND1-CA 3.41Å; H340-G342 PolarHBondContact ND1-N 2.81Å; H340-I394 CarbonylContact C-O 3.57Å; H340-I394 WeakPolarHBondContact CA-O 3.35Å; H340-I394 HydrophobicContact CB-CB 4.35Å; H340-I394 VanDerWaalsContact CD2-CB 3.49Å; H340-I394 WeakPolarHBondContact CD2-CB 3.46Å; H340-I394 WeakPolarHBondContact CD2-CG2 3.33Å; H340-I394 WeakPolarHBondContact NE2-CG2 3.48Å; H340-W396 AromaticContact CE1-CD1 3.53Å; H340-W396 AromaticContact CE1-CD2 3.73Å; H340-W396 AromaticContact CE1-CE2 3.5Å; H340-W396 VanDerWaalsContact CE1-CE2 3.5Å; H340-W396 AromaticContact CE1-CG 3.75Å; H340-W396 AromaticContact CE1-NE1 3.33Å; H340-W396 PolarHBondContact CE1-NE1 3.43Å; H340-W396 VanDerWaalsContact CE1-NE1 3.33Å; H340-W396 AromaticContact ND1-NE1 3.96Å; H340-W396 AromaticContact NE2-CE2 3.9Å; H340-Q413 PolarHBondContact NE2-OE1 3.17Å
341	L	98.6	Very high	95.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.141	C	C	.	.			trans	-97.9	0.2	179.7	-61.3	-177	0	0	0	112.6	T278 F327 V339 G343 F377 L380 L384 F393 I394 Y395	T278-L341 PolarHBondContact N-O 2.83Å; F327-L341 HydrophobicContact CE1-CD2 4.03Å; F327-L341 HydrophobicContact CZ-CD2 3.98Å; V339-L341 HydrophobicContact CG1-CD2 4.12Å; L341-G343 PolarHBondContact O-N 2.75Å; L341-F377 HydrophobicContact CB-CE1 4.4Å; L341-L380 HydrophobicContact CD1-CD2 4.21Å; L341-L384 HydrophobicContact CD1-CD1 3.5Å; L341-L384 VanDerWaalsContact CD1-CD1 3.5Å; L341-L384 HydrophobicContact CD2-CD1 3.79Å; L341-L384 HydrophobicContact CG-CD1 4.31Å; L341-F393 HydrophobicContact CD1-CB 3.83Å; L341-F393 HydrophobicContact CD1-CD1 3.68Å; L341-F393 HydrophobicContact CD1-CD2 4.4Å; L341-F393 HydrophobicContact CD1-CE1 4.43Å; L341-F393 HydrophobicContact CD1-CG 3.69Å; L341-F393 HydrophobicContact CD2-CD1 4.28Å; L341-F393 HydrophobicContact CG-CB 4.21Å; L341-F393 HydrophobicContact CG-CD1 3.97Å; L341-F393 HydrophobicContact CG-CG 4.29Å; L341-I394 PolarHBondContact N-O 3.31Å; L341-Y395 HydrophobicContact CB-CD1 4.12Å; L341-Y395 HydrophobicContact CB-CE1 3.93Å; L341-Y395 HydrophobicContact CD1-CE1 3.69Å; L341-Y395 HydrophobicContact CG-CE1 4.29Å
342	G	98.2	Very high	95.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.152	C	C	.	.			trans	66.2	-121.7	-179.3	0	0	0	0	0	111.3	E275 D277 H340 Y395 W396	E275-G342 WeakPolarHBondContact OE1-CA 3.49Å; D277-G342 VanDerWaalsContact OD1-CA 3.27Å; D277-G342 WeakPolarHBondContact OD1-CA 3.18Å; H340-G342 WeakPolarHBondContact ND1-CA 3.41Å; H340-G342 PolarHBondContact ND1-N 2.81Å; G342-Y395 WeakPolarHBondContact O-CA 3.48Å; G342-W396 PolarHBondContact O-N 3.14Å
343	G	97.1	Very high	95.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.126	C	C	.	.			trans	93.2	16.7	176.2	0	0	0	0	0	114.4	D277 L341 Q373	D277-G343 PolarHBondContact OD1-N 3.45Å; L341-G343 PolarHBondContact O-N 2.75Å; G343-Q373 PolarHBondContact O-NE2 3.24Å
344	D	96	Very high	95	Very high	8 Å²	8	20.9 Å²	20.9	4%	0.043	12%	0.124	C	C	.	.			trans	-81.7	160.6	172.8	56.7	-42.8	0	0	0	112.6	H281 V346 W396	H281-D344 IonicContact CD2-OD1 3.29Å; H281-D344 IonicContact CD2-OD2 3.55Å; H281-D344 IonicContact NE2-OD2 3.58Å; D344-V346 PolarHBondContact O-N 2.94Å; D344-W396 HydrophobicContact CB-CB 3.69Å; D344-W396 HydrophobicContact CB-CG 3.82Å
345	E	92.8	Very high	95	Very high	102 Å²	102	23.8 Å²	23.8	48%	0.477	15%	0.148	S	C	.	.	S	Bend	trans	45.2	31.8	168.2	-51.7	-159.4	137.8	0	0	117	H281 S347 E398 W415	H281-E345 IonicContact NE2-OE2 3.94Å; E345-S347 PolarHBondContact O-N 2.77Å; E345-E398 PolarHBondContact N-OE1 2.83Å; E345-W415 HydrophobicContact CG-CH2 4.32Å; E345-W415 HydrophobicContact CG-CZ2 4.02Å; E345-W415 WeakPolarHBondContact OE1-CH2 3.19Å
346	V	92.7	Very high	95	Very high	19 Å²	19	26 Å²	26	12%	0.115	15%	0.153	C	C	.	.			trans	-61	122.3	179	-177	0	0	0	0	110.6	P279 T311 D344 F348 W351	P279-V346 HydrophobicContact CG-CG1 4.01Å; P279-V346 HydrophobicContact CG-CG2 3.84Å; T311-V346 HydrophobicContact CG2-CG1 4Å; D344-V346 PolarHBondContact O-N 2.94Å; V346-F348 HydrophobicContact CB-CE1 4.28Å; V346-F348 HydrophobicContact CG1-CD1 4.2Å; V346-F348 HydrophobicContact CG1-CE1 4.09Å; V346-F348 PolarHBondContact O-N 3.4Å; V346-W351 HydrophobicContact CG1-CE3 4.42Å; V346-W351 HydrophobicContact CG1-CH2 3.67Å; V346-W351 HydrophobicContact CG1-CZ2 3.96Å; V346-W351 HydrophobicContact CG1-CZ3 3.92Å
347	S	91.4	Very high	94.9	Very high	11 Å²	11	25.7 Å²	25.7	8%	0.077	15%	0.151	C	C	.	.			trans	-78.2	94.2	-178.7	-174.4	0	0	0	0	112.2	E345 A349 C350 W351	E345-S347 PolarHBondContact O-N 2.77Å; S347-A349 PolarHBondContact O-N 2.88Å; S347-C350 VanDerWaalsContact O-CB 3.28Å; S347-C350 WeakPolarHBondContact O-CB 3.28Å; S347-C350 PolarHBondContact O-N 3.44Å; S347-C350 WeakPolarHBondContact OG-CB 3.43Å; S347-C350 PolarHBondContact OG-N 2.86Å; S347-C350 VanDerWaalsContact OG-N 3.15Å; S347-W351 PolarHBondContact O-N 3.1Å
348	F	92.8	Very high	95	Very high	54 Å²	54	29 Å²	29	24%	0.237	16%	0.157	C	C	.	.	H	α-helix	trans	-63	-25.8	169.5	-63.1	-14.1	0	0	0	112.2	V346 W351 S352 Y369 A370 Q373 E402	V346-F348 HydrophobicContact CB-CE1 4.28Å; V346-F348 HydrophobicContact CG1-CD1 4.2Å; V346-F348 HydrophobicContact CG1-CE1 4.09Å; V346-F348 PolarHBondContact O-N 3.4Å; F348-W351 AromaticContact CD1-CE3 3.81Å; F348-W351 HydrophobicContact CD1-CE3 3.81Å; F348-W351 AromaticContact CD1-CZ3 3.89Å; F348-W351 HydrophobicContact CD1-CZ3 3.89Å; F348-W351 HydrophobicContact CE1-CE3 4.23Å; F348-W351 AromaticContact CE1-CZ3 3.83Å; F348-W351 HydrophobicContact CE1-CZ3 3.83Å; F348-S352 VanDerWaalsContact O-CB 3.28Å; F348-S352 WeakPolarHBondContact O-CB 3.32Å; F348-S352 PolarHBondContact O-N 3.38Å; F348-S352 PolarHBondContact O-OG 3.31Å; F348-Y369 HydrophobicContact CB-CD2 4.29Å; F348-Y369 HydrophobicContact CB-CG 4.19Å; F348-Y369 VanDerWaalsContact CG-CB 3.5Å; F348-Y369 HydrophobicContact CG-CG 4.4Å; F348-A370 HydrophobicContact CE2-CB 4.41Å; F348-A370 HydrophobicContact CZ-CB 4.3Å; F348-Q373 HydrophobicContact CE1-CB 4.38Å; F348-E402 HydrophobicContact CZ-CG 4.45Å
349	A	90.8	Very high	95	Very high	30 Å²	30	33 Å²	33	25%	0.248	18%	0.175	C	C	.	.	H	α-helix	trans	-62.7	-45.3	173	0	0	0	0	0	111.4	S347 S352 S353	S347-A349 PolarHBondContact O-N 2.88Å; A349-S352 PolarHBondContact O-N 2.88Å; A349-S352 PolarHBondContact O-OG 2.95Å; A349-S353 PolarHBondContact O-N 3.21Å; A349-S353 VanDerWaalsContact O-N 3.08Å
350	C	91.9	Very high	95	Very high	4 Å²	4	34.3 Å²	34.3	3%	0.027	18%	0.181	C	C	.	.	H	α-helix	trans	-55.7	-55.8	175.6	-163	0	0	0	0	110.4	C296 T311 S347 S352 S353	C296-C350 HydrophobicContact CB-CB 3.99Å; C296-C350 WeakPolarHBondContact CB-SG 3.48Å; C296-C350 WeakPolarHBondContact SG-CA 3.37Å; C296-C350 WeakPolarHBondContact SG-CB 3.42Å; C296-C350 PolarHBondContact SG-O 2.97Å; C296-C350 CovalentContact SG-SG 2Å; C296-C350 PolarHBondContact SG-SG 2.81Å; T311-C350 PolarHBondContact OG1-SG 3.27Å; S347-C350 VanDerWaalsContact O-CB 3.28Å; S347-C350 WeakPolarHBondContact O-CB 3.28Å; S347-C350 PolarHBondContact O-N 3.44Å; S347-C350 WeakPolarHBondContact OG-CB 3.43Å; S347-C350 PolarHBondContact OG-N 2.86Å; S347-C350 VanDerWaalsContact OG-N 3.15Å; C350-S352 VanDerWaalsContact C-N 3.31Å; C350-S352 PolarHBondContact O-N 2.93Å; C350-S353 WeakPolarHBondContact O-CB 3.33Å; C350-S353 PolarHBondContact O-N 2.99Å; C350-S353 VanDerWaalsContact O-N 3.07Å; C350-S353 PolarHBondContact O-OG 3.28Å
351	W	94.4	Very high	95	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-57.6	-40	176.1	-77.7	-13.2	0	0	0	113.4	P279 T294 T311 L312 P314 V346 S347 F348 S353 D354 V357 Y369 L372 Q373	P279-W351 HydrophobicContact CB-CZ2 4.2Å; P279-W351 HydrophobicContact CG-CH2 4.05Å; P279-W351 HydrophobicContact CG-CZ2 3.96Å; T294-W351 PolarHBondContact OG1-NE1 3Å; T311-W351 HydrophobicContact CG2-CD2 4.27Å; T311-W351 HydrophobicContact CG2-CG 4.41Å; T311-W351 HydrophobicContact CG2-CZ2 3.93Å; L312-W351 PolarHBondContact O-NE1 3.45Å; P314-W351 HydrophobicContact CG-CH2 4.42Å; P314-W351 HydrophobicContact CG-CZ2 3.82Å; V346-W351 HydrophobicContact CG1-CE3 4.42Å; V346-W351 HydrophobicContact CG1-CH2 3.67Å; V346-W351 HydrophobicContact CG1-CZ2 3.96Å; V346-W351 HydrophobicContact CG1-CZ3 3.92Å; S347-W351 PolarHBondContact O-N 3.1Å; F348-W351 AromaticContact CD1-CE3 3.81Å; F348-W351 HydrophobicContact CD1-CE3 3.81Å; F348-W351 AromaticContact CD1-CZ3 3.89Å; F348-W351 HydrophobicContact CD1-CZ3 3.89Å; F348-W351 HydrophobicContact CE1-CE3 4.23Å; F348-W351 AromaticContact CE1-CZ3 3.83Å; F348-W351 HydrophobicContact CE1-CZ3 3.83Å; W351-S353 PolarHBondContact O-N 2.04Å; W351-D354 PolarHBondContact O-N 3.11Å; W351-V357 HydrophobicContact CB-CG1 3.96Å; W351-V357 HydrophobicContact CG-CG1 4.31Å; W351-V357 WeakPolarHBondContact O-CB 3.21Å; W351-V357 WeakPolarHBondContact O-CG1 3.39Å; W351-Y369 HydrophobicContact CB-CD1 3.75Å; W351-Y369 HydrophobicContact CB-CE1 3.86Å; W351-Y369 HydrophobicContact CE3-CD1 4.06Å; W351-L372 HydrophobicContact CD2-CD2 3.91Å; W351-L372 HydrophobicContact CE3-CB 4.4Å; W351-L372 HydrophobicContact CE3-CD2 3.82Å; W351-L372 HydrophobicContact CE3-CG 4.3Å; W351-L372 HydrophobicContact CG-CD2 4.3Å; W351-L372 HydrophobicContact CZ3-CB 4.2Å; W351-L372 HydrophobicContact CZ3-CD2 4.26Å; W351-L372 HydrophobicContact CZ3-CG 4.24Å; W351-Q373 HydrophobicContact CH2-CB 4.05Å; W351-Q373 HydrophobicContact CZ3-CB 4.02Å
352	S	94	Very high	94.9	Very high	46 Å²	46	41.2 Å²	41.2	32%	0.322	21%	0.211	S	C	.	.	H	α-helix	trans	-66.8	-24	178.6	79.1	0	0	0	0	114.2	F348 A349 C350 R358 Y369	F348-S352 VanDerWaalsContact O-CB 3.28Å; F348-S352 WeakPolarHBondContact O-CB 3.32Å; F348-S352 PolarHBondContact O-N 3.38Å; F348-S352 PolarHBondContact O-OG 3.31Å; A349-S352 PolarHBondContact O-N 2.88Å; A349-S352 PolarHBondContact O-OG 2.95Å; C350-S352 VanDerWaalsContact C-N 3.31Å; C350-S352 PolarHBondContact O-N 2.93Å; S352-R358 WeakPolarHBondContact O-CD 3.46Å; S352-R358 WeakPolarHBondContact O-CG 3.29Å; S352-Y369 VanDerWaalsContact CA-CZ 3.5Å; S352-Y369 VanDerWaalsContact CA-OH 3.25Å; S352-Y369 WeakPolarHBondContact CA-OH 3.3Å
353	S	92.5	Very high	94.9	Very high	21 Å²	21	47.1 Å²	47.1	15%	0.147	24%	0.239	C	C	.	.	H	α-helix	trans	-82.6	-18.2	-178.5	82.5	0	0	0	0	113.4	C296 S297 N298 A349 C350 W351	C296-S353 VanDerWaalsContact CA-OG 3.31Å; C296-S353 WeakPolarHBondContact CA-OG 3.41Å; S297-S353 PolarHBondContact N-OG 3.49Å; S297-S353 WeakPolarHBondContact OG-CB 3.49Å; S297-S353 PolarHBondContact OG-O 3.38Å; N298-S353 PolarHBondContact N-OG 3.39Å; A349-S353 PolarHBondContact O-N 3.21Å; A349-S353 VanDerWaalsContact O-N 3.08Å; C350-S353 WeakPolarHBondContact O-CB 3.33Å; C350-S353 PolarHBondContact O-N 2.99Å; C350-S353 VanDerWaalsContact O-N 3.07Å; C350-S353 PolarHBondContact O-OG 3.28Å; W351-S353 PolarHBondContact O-N 2.04Å
354	D	93.7	Very high	94.9	Very high	7 Å²	7	50.8 Å²	50.8	4%	0.037	26%	0.257	C	S	.	.			trans	-86.4	134	-178.5	-174.9	-63.6	0	0	0	111.7	T294 N295 W351 Q356 V357 R358	T294-D354 HydrophobicContact CG2-CB 3.45Å; T294-D354 VanDerWaalsContact CG2-CB 3.45Å; N295-D354 WeakPolarHBondContact CB-OD2 3.47Å; N295-D354 PolarHBondContact N-OD2 2.78Å; W351-D354 PolarHBondContact O-N 3.11Å; D354-Q356 WeakPolarHBondContact OD1-CA 3.22Å; D354-Q356 WeakPolarHBondContact OD1-CB 3.43Å; D354-Q356 PolarHBondContact OD1-N 3.34Å; D354-V357 HydrophobicContact CB-CB 4.06Å; D354-V357 HydrophobicContact CB-CG2 3.85Å; D354-V357 PolarHBondContact OD1-N 3.32Å; D354-R358 WeakPolarHBondContact O-CG 3.08Å; D354-R358 PolarHBondContact O-N 2.95Å; D354-R358 VanDerWaalsContact O-N 3.13Å; D354-R358 PolarHBondContact O-NE 2.95Å
355	A	95.3	Very high	95	Very high	62 Å²	62	56.9 Å²	56.9	51%	0.512	29%	0.29	S	S	.	.	H	α-helix	trans	-73	-35.8	-177.3	0	0	0	0	0	113.5	E359	A355-E359 WeakPolarHBondContact O-CB 3.17Å; A355-E359 PolarHBondContact O-N 2.62Å; A355-E359 VanDerWaalsContact O-N 3.1Å
356	Q	95	Very high	95.3	Very high	128 Å²	128	54.5 Å²	54.5	60%	0.598	28%	0.277	S	S	*	.	H	α-helix	trans	-69.8	-42.1	177.6	-60.3	-177.2	37.6	0	0	110.1	D354 E359 F360	D354-Q356 WeakPolarHBondContact OD1-CA 3.22Å; D354-Q356 WeakPolarHBondContact OD1-CB 3.43Å; D354-Q356 PolarHBondContact OD1-N 3.34Å; Q356-E359 PolarHBondContact O-N 3.08Å; Q356-F360 PolarHBondContact O-N 2.85Å
357	V	96.8	Very high	95.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.7	-46.1	177.1	179.2	0	0	0	0	111.1	T294 T315 W351 D354 E359 F360 M361 Y369 L372	T294-V357 HydrophobicContact CG2-CG2 3.88Å; T315-V357 HydrophobicContact CG2-CB 4.44Å; T315-V357 HydrophobicContact CG2-CG1 4.37Å; T315-V357 HydrophobicContact CG2-CG2 4.14Å; W351-V357 HydrophobicContact CB-CG1 3.96Å; W351-V357 HydrophobicContact CG-CG1 4.31Å; W351-V357 WeakPolarHBondContact O-CB 3.21Å; W351-V357 WeakPolarHBondContact O-CG1 3.39Å; D354-V357 HydrophobicContact CB-CB 4.06Å; D354-V357 HydrophobicContact CB-CG2 3.85Å; D354-V357 PolarHBondContact OD1-N 3.32Å; V357-E359 VanDerWaalsContact C-N 3.27Å; V357-E359 PolarHBondContact O-N 3.33Å; V357-F360 WeakPolarHBondContact O-CB 3.41Å; V357-F360 PolarHBondContact O-N 2.86Å; V357-M361 HydrophobicContact CG1-CG 4.45Å; V357-M361 VanDerWaalsContact O-CG 3.27Å; V357-M361 WeakPolarHBondContact O-CG 3.42Å; V357-M361 PolarHBondContact O-N 2.76Å; V357-Y369 HydrophobicContact CG1-CE1 4.06Å; V357-L372 HydrophobicContact CG1-CD2 3.53Å
358	R	96.8	Very high	95.7	Very high	113 Å²	113	61.7 Å²	61.7	43%	0.426	32%	0.322	S	S	.	.	H	α-helix	trans	-60.8	-34.7	175	-76.6	-173.1	-64.1	132	1.9	113.4	S352 D354 K362	S352-R358 WeakPolarHBondContact O-CD 3.46Å; S352-R358 WeakPolarHBondContact O-CG 3.29Å; D354-R358 WeakPolarHBondContact O-CG 3.08Å; D354-R358 PolarHBondContact O-N 2.95Å; D354-R358 VanDerWaalsContact O-N 3.13Å; D354-R358 PolarHBondContact O-NE 2.95Å; R358-K362 WeakPolarHBondContact O-CG 3.38Å; R358-K362 PolarHBondContact O-N 2.86Å
359	E	97.7	Very high	95.8	Very high	88 Å²	88	61.3 Å²	61.3	41%	0.411	32%	0.32	S	S	.	.	H	α-helix	trans	-69.9	-42.8	176.3	-176.1	55.3	-154.9	0	0	111.2	A355 Q356 V357 M361 K362 Q363	A355-E359 WeakPolarHBondContact O-CB 3.17Å; A355-E359 PolarHBondContact O-N 2.62Å; A355-E359 VanDerWaalsContact O-N 3.1Å; Q356-E359 PolarHBondContact O-N 3.08Å; V357-E359 VanDerWaalsContact C-N 3.27Å; V357-E359 PolarHBondContact O-N 3.33Å; E359-M361 PolarHBondContact O-N 2.92Å; E359-K362 WeakPolarHBondContact O-CB 3.45Å; E359-K362 PolarHBondContact O-N 3.3Å; E359-K362 IonicContact OE2-NZ 3.77Å; E359-Q363 WeakPolarHBondContact O-CG 3.44Å; E359-Q363 PolarHBondContact O-N 3.5Å; E359-Q363 PolarHBondContact OE1-NE2 2.94Å
360	F	98.1	Very high	96.1	Very high	28 Å²	28	60.4 Å²	60.4	12%	0.123	31%	0.312	C	S	.	.	H	α-helix	trans	-60.2	-44.1	174.2	-173	-92.3	0	0	0	112.4	T315 Q356 V357 K362 Q363 M364 Y366 L372 Y375	T315-F360 HydrophobicContact CG2-CB 3.58Å; T315-F360 HydrophobicContact CG2-CD1 3.57Å; T315-F360 HydrophobicContact CG2-CD2 4.12Å; T315-F360 HydrophobicContact CG2-CE1 4.26Å; T315-F360 HydrophobicContact CG2-CG 3.48Å; T315-F360 VanDerWaalsContact CG2-CG 3.48Å; Q356-F360 PolarHBondContact O-N 2.85Å; V357-F360 WeakPolarHBondContact O-CB 3.41Å; V357-F360 PolarHBondContact O-N 2.86Å; F360-K362 VanDerWaalsContact C-N 3.26Å; F360-K362 PolarHBondContact O-N 3.46Å; F360-Q363 PolarHBondContact O-N 3.41Å; F360-Q363 VanDerWaalsContact O-N 3.08Å; F360-M364 HydrophobicContact CD1-CG 3.94Å; F360-M364 HydrophobicContact CE1-CG 3.51Å; F360-M364 HydrophobicContact CE2-CG 4.3Å; F360-M364 HydrophobicContact CZ-CG 3.7Å; F360-M364 HydrophobicContact CZ-SD 4.16Å; F360-M364 WeakPolarHBondContact O-CG 3.33Å; F360-M364 PolarHBondContact O-N 3.25Å; F360-Y366 HydrophobicContact CE1-CE2 4.45Å; F360-L372 HydrophobicContact CD1-CD1 3.83Å; F360-L372 HydrophobicContact CE1-CD1 3.8Å; F360-Y375 HydrophobicContact CE1-CD1 4.25Å; F360-Y375 HydrophobicContact CE1-CE1 4.12Å; F360-Y375 HydrophobicContact CZ-CD1 4.35Å; F360-Y375 AromaticContact CZ-CE1 3.77Å; F360-Y375 HydrophobicContact CZ-CE1 3.77Å; F360-Y375 HydrophobicContact CZ-CE2 4.06Å; F360-Y375 AromaticContact CZ-CZ 3.61Å
361	M	98.1	Very high	96.4	Very high	13 Å²	13	63.4 Å²	63.4	6%	0.064	33%	0.326	C	S	.	.	H	α-helix	trans	-53.4	-43.9	174.5	-73.4	-69.2	-71.2	0	0	111.9	V357 E359 N365 Y366 S368 Y369 L372	V357-M361 HydrophobicContact CG1-CG 4.45Å; V357-M361 VanDerWaalsContact O-CG 3.27Å; V357-M361 WeakPolarHBondContact O-CG 3.42Å; V357-M361 PolarHBondContact O-N 2.76Å; E359-M361 PolarHBondContact O-N 2.92Å; M361-N365 PolarHBondContact O-N 3.27Å; M361-N365 VanDerWaalsContact O-N 3.17Å; M361-Y366 PolarHBondContact O-N 3.29Å; M361-Y366 HydrophobicContact SD-CD2 4.09Å; M361-Y366 HydrophobicContact SD-CG 4.47Å; M361-S368 WeakPolarHBondContact CE-O 3.37Å; M361-Y369 HydrophobicContact CE-CD1 4.03Å; M361-Y369 HydrophobicContact CE-CE1 4.07Å; M361-Y369 HydrophobicContact CE-CG 4.32Å; M361-Y369 HydrophobicContact CG-CD1 4.38Å; M361-Y369 HydrophobicContact CG-CE1 3.76Å; M361-Y369 HydrophobicContact SD-CD1 4.03Å; M361-Y369 HydrophobicContact SD-CE1 4.01Å; M361-L372 HydrophobicContact SD-CB 3.79Å; M361-L372 HydrophobicContact SD-CD1 4.47Å; M361-L372 HydrophobicContact SD-CD2 4.03Å; M361-L372 HydrophobicContact SD-CG 4.32Å
362	K	98	Very high	96.5	Very high	131 Å²	131	63.4 Å²	63.4	57%	0.57	33%	0.326	S	S	*	.	H	α-helix	trans	-67	-42.8	176.1	-67.5	171.5	-171.8	171	0	112.2	R358 E359 F360 M364 N365	R358-K362 WeakPolarHBondContact O-CG 3.38Å; R358-K362 PolarHBondContact O-N 2.86Å; E359-K362 WeakPolarHBondContact O-CB 3.45Å; E359-K362 PolarHBondContact O-N 3.3Å; E359-K362 IonicContact OE2-NZ 3.77Å; F360-K362 VanDerWaalsContact C-N 3.26Å; F360-K362 PolarHBondContact O-N 3.46Å; K362-M364 VanDerWaalsContact C-N 3.27Å; K362-M364 PolarHBondContact O-N 3.2Å; K362-N365 PolarHBondContact O-N 3.43Å; K362-N365 VanDerWaalsContact O-N 3.13Å; K362-N365 PolarHBondContact O-OD1 2.94Å
363	Q	97.8	Very high	96.7	Very high	125 Å²	125	61.4 Å²	61.4	58%	0.584	31%	0.311	S	S	*	.	H	α-helix	trans	-61.6	-37.4	179.5	-71	173.7	6.5	0	0	112.1	E359 F360 N365	E359-Q363 WeakPolarHBondContact O-CG 3.44Å; E359-Q363 PolarHBondContact O-N 3.5Å; E359-Q363 PolarHBondContact OE1-NE2 2.94Å; F360-Q363 PolarHBondContact O-N 3.41Å; F360-Q363 VanDerWaalsContact O-N 3.08Å; Q363-N365 VanDerWaalsContact C-N 3.32Å
364	M	97.3	Very high	97	Very high	77 Å²	77	62.2 Å²	62.2	38%	0.379	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-5.4	177.7	-64	-58.5	-69.1	0	0	113.8	F360 K362 Y366 Y375	F360-M364 HydrophobicContact CD1-CG 3.94Å; F360-M364 HydrophobicContact CE1-CG 3.51Å; F360-M364 HydrophobicContact CE2-CG 4.3Å; F360-M364 HydrophobicContact CZ-CG 3.7Å; F360-M364 HydrophobicContact CZ-SD 4.16Å; F360-M364 WeakPolarHBondContact O-CG 3.33Å; F360-M364 PolarHBondContact O-N 3.25Å; K362-M364 VanDerWaalsContact C-N 3.27Å; K362-M364 PolarHBondContact O-N 3.2Å; M364-Y366 HydrophobicContact CB-CD1 4.13Å; M364-Y366 HydrophobicContact CB-CD2 3.51Å; M364-Y366 HydrophobicContact CB-CE1 4.11Å; M364-Y366 HydrophobicContact CB-CE2 3.48Å; M364-Y366 VanDerWaalsContact CB-CE2 3.48Å; M364-Y366 HydrophobicContact CB-CG 3.84Å; M364-Y366 HydrophobicContact CE-CE2 4.22Å; M364-Y366 WeakPolarHBondContact CE-OH 3.24Å; M364-Y366 HydrophobicContact CG-CD2 4.21Å; M364-Y366 HydrophobicContact CG-CE2 3.83Å; M364-Y366 PolarHBondContact O-N 2.68Å; M364-Y375 HydrophobicContact CE-CD2 4.29Å; M364-Y375 HydrophobicContact CE-CE2 4.22Å
365	N	97.7	Very high	97.2	Very high	136 Å²	136	63.9 Å²	63.9	73%	0.727	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	31.7	-170.3	-61.8	-48	0	0	0	113.8	M361 K362 Q363	M361-N365 PolarHBondContact O-N 3.27Å; M361-N365 VanDerWaalsContact O-N 3.17Å; K362-N365 PolarHBondContact O-N 3.43Å; K362-N365 VanDerWaalsContact O-N 3.13Å; K362-N365 PolarHBondContact O-OD1 2.94Å; Q363-N365 VanDerWaalsContact C-N 3.32Å
366	Y	97.7	Very high	97.3	Very high	52 Å²	52	60.9 Å²	60.9	20%	0.204	30%	0.296	C	S	.	.			trans	-76.3	138.2	174.8	-65.5	-31	0	0	0	110.9	F360 M361 M364 E371 Y375	F360-Y366 HydrophobicContact CE1-CE2 4.45Å; M361-Y366 PolarHBondContact O-N 3.29Å; M361-Y366 HydrophobicContact SD-CD2 4.09Å; M361-Y366 HydrophobicContact SD-CG 4.47Å; M364-Y366 HydrophobicContact CB-CD1 4.13Å; M364-Y366 HydrophobicContact CB-CD2 3.51Å; M364-Y366 HydrophobicContact CB-CE1 4.11Å; M364-Y366 HydrophobicContact CB-CE2 3.48Å; M364-Y366 VanDerWaalsContact CB-CE2 3.48Å; M364-Y366 HydrophobicContact CB-CG 3.84Å; M364-Y366 HydrophobicContact CE-CE2 4.22Å; M364-Y366 WeakPolarHBondContact CE-OH 3.24Å; M364-Y366 HydrophobicContact CG-CD2 4.21Å; M364-Y366 HydrophobicContact CG-CE2 3.83Å; M364-Y366 PolarHBondContact O-N 2.68Å; Y366-E371 HydrophobicContact CD1-CB 3.69Å; Y366-E371 HydrophobicContact CD1-CG 4.39Å; Y366-E371 HydrophobicContact CD2-CB 4.31Å; Y366-E371 HydrophobicContact CE1-CB 4.15Å; Y366-E371 HydrophobicContact CG-CB 3.79Å; Y366-Y375 HydrophobicContact CE2-CD2 4.5Å; Y366-Y375 HydrophobicContact CE2-CG 4.46Å
367	T	95.9	Very high	97.4	Very high	132 Å²	132	54.8 Å²	54.8	81%	0.81	27%	0.267	S	S	*	.	S	Bend	trans	-103.9	-20	-178.6	62.3	0	0	0	0	112.8	E371	T367-E371 WeakPolarHBondContact CA-OE2 3.43Å; T367-E371 PolarHBondContact N-OE2 3.24Å; T367-E371 PolarHBondContact OG1-OE2 2.88Å
368	S	96.7	Very high	97.5	Very high	49 Å²	49	58.7 Å²	58.7	34%	0.343	29%	0.285	S	S	.	.	S	Bend	trans	-133.8	145.7	178.2	-179.9	0	0	0	0	111.9	M361 A370 E371	M361-S368 WeakPolarHBondContact CE-O 3.37Å; S368-A370 PolarHBondContact O-N 3.49Å; S368-A370 WeakPolarHBondContact OG-CB 3.28Å; S368-A370 PolarHBondContact OG-N 3.01Å; S368-E371 PolarHBondContact N-OE2 3.29Å; S368-E371 WeakPolarHBondContact O-CB 3.3Å; S368-E371 PolarHBondContact O-N 3.31Å
369	Y	95.9	Very high	97.5	Very high	46 Å²	46	54.6 Å²	54.6	18%	0.18	27%	0.271	C	S	.	.	H	α-helix	trans	-66.8	-17.3	172.6	-72.2	-74.2	0	0	0	113.2	F348 W351 S352 V357 M361 E371 L372 Q373	F348-Y369 HydrophobicContact CB-CD2 4.29Å; F348-Y369 HydrophobicContact CB-CG 4.19Å; F348-Y369 VanDerWaalsContact CG-CB 3.5Å; F348-Y369 HydrophobicContact CG-CG 4.4Å; W351-Y369 HydrophobicContact CB-CD1 3.75Å; W351-Y369 HydrophobicContact CB-CE1 3.86Å; W351-Y369 HydrophobicContact CE3-CD1 4.06Å; S352-Y369 VanDerWaalsContact CA-CZ 3.5Å; S352-Y369 VanDerWaalsContact CA-OH 3.25Å; S352-Y369 WeakPolarHBondContact CA-OH 3.3Å; V357-Y369 HydrophobicContact CG1-CE1 4.06Å; M361-Y369 HydrophobicContact CE-CD1 4.03Å; M361-Y369 HydrophobicContact CE-CE1 4.07Å; M361-Y369 HydrophobicContact CE-CG 4.32Å; M361-Y369 HydrophobicContact CG-CD1 4.38Å; M361-Y369 HydrophobicContact CG-CE1 3.76Å; M361-Y369 HydrophobicContact SD-CD1 4.03Å; M361-Y369 HydrophobicContact SD-CE1 4.01Å; Y369-E371 VanDerWaalsContact C-N 3.26Å; Y369-E371 PolarHBondContact O-N 3.15Å; Y369-L372 HydrophobicContact CD1-CD2 4.08Å; Y369-L372 HydrophobicContact CE1-CD2 4.49Å; Y369-L372 WeakPolarHBondContact O-CB 3.27Å; Y369-L372 PolarHBondContact O-N 3.06Å; Y369-L372 VanDerWaalsContact O-N 3.11Å; Y369-Q373 PolarHBondContact O-N 2.75Å
370	A	96.8	Very high	97.5	Very high	11 Å²	11	50.4 Å²	50.4	9%	0.091	25%	0.252	C	S	.	.	H	α-helix	trans	-60	-36	166.5	0	0	0	0	0	112	F348 S368 L372 Q373 D374 E402	F348-A370 HydrophobicContact CE2-CB 4.41Å; F348-A370 HydrophobicContact CZ-CB 4.3Å; S368-A370 PolarHBondContact O-N 3.49Å; S368-A370 WeakPolarHBondContact OG-CB 3.28Å; S368-A370 PolarHBondContact OG-N 3.01Å; A370-L372 VanDerWaalsContact C-N 3.28Å; A370-L372 PolarHBondContact O-N 3.44Å; A370-Q373 PolarHBondContact O-N 3.28Å; A370-D374 PolarHBondContact O-N 3.07Å; A370-E402 HydrophobicContact CB-CB 4.06Å
371	E	97.9	Very high	97.5	Very high	67 Å²	67	49.6 Å²	49.6	31%	0.313	25%	0.248	S	C	.	.	H	α-helix	trans	-68.4	-30.7	175.1	-59.9	174.7	87.2	0	0	111.5	Y366 T367 S368 Y369 D374 Y375	Y366-E371 HydrophobicContact CD1-CB 3.69Å; Y366-E371 HydrophobicContact CD1-CG 4.39Å; Y366-E371 HydrophobicContact CD2-CB 4.31Å; Y366-E371 HydrophobicContact CE1-CB 4.15Å; Y366-E371 HydrophobicContact CG-CB 3.79Å; T367-E371 WeakPolarHBondContact CA-OE2 3.43Å; T367-E371 PolarHBondContact N-OE2 3.24Å; T367-E371 PolarHBondContact OG1-OE2 2.88Å; S368-E371 PolarHBondContact N-OE2 3.29Å; S368-E371 WeakPolarHBondContact O-CB 3.3Å; S368-E371 PolarHBondContact O-N 3.31Å; Y369-E371 VanDerWaalsContact C-N 3.26Å; Y369-E371 PolarHBondContact O-N 3.15Å; E371-D374 PolarHBondContact O-N 2.94Å; E371-Y375 WeakPolarHBondContact O-CB 3.14Å; E371-Y375 PolarHBondContact O-N 3.27Å
372	L	97.7	Very high	97.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-72.6	-36.2	173.6	-173	62.3	0	0	0	112	P314 T315 W351 V357 F360 M361 Y369 A370 Y375 Y376	P314-L372 HydrophobicContact CB-CD1 4.44Å; P314-L372 HydrophobicContact CG-CD1 3.78Å; P314-L372 HydrophobicContact CG-CD2 3.75Å; P314-L372 HydrophobicContact CG-CG 3.6Å; T315-L372 HydrophobicContact CG2-CD1 4.32Å; W351-L372 HydrophobicContact CD2-CD2 3.91Å; W351-L372 HydrophobicContact CE3-CB 4.4Å; W351-L372 HydrophobicContact CE3-CD2 3.82Å; W351-L372 HydrophobicContact CE3-CG 4.3Å; W351-L372 HydrophobicContact CG-CD2 4.3Å; W351-L372 HydrophobicContact CZ3-CB 4.2Å; W351-L372 HydrophobicContact CZ3-CD2 4.26Å; W351-L372 HydrophobicContact CZ3-CG 4.24Å; V357-L372 HydrophobicContact CG1-CD2 3.53Å; F360-L372 HydrophobicContact CD1-CD1 3.83Å; F360-L372 HydrophobicContact CE1-CD1 3.8Å; M361-L372 HydrophobicContact SD-CB 3.79Å; M361-L372 HydrophobicContact SD-CD1 4.47Å; M361-L372 HydrophobicContact SD-CD2 4.03Å; M361-L372 HydrophobicContact SD-CG 4.32Å; Y369-L372 HydrophobicContact CD1-CD2 4.08Å; Y369-L372 HydrophobicContact CE1-CD2 4.49Å; Y369-L372 WeakPolarHBondContact O-CB 3.27Å; Y369-L372 PolarHBondContact O-N 3.06Å; Y369-L372 VanDerWaalsContact O-N 3.11Å; A370-L372 VanDerWaalsContact C-N 3.28Å; A370-L372 PolarHBondContact O-N 3.44Å; L372-Y375 HydrophobicContact CD1-CD1 4.35Å; L372-Y375 WeakPolarHBondContact O-CB 3.39Å; L372-Y375 PolarHBondContact O-N 3.47Å; L372-Y376 PolarHBondContact O-N 3.4Å
373	Q	97.4	Very high	97.4	Very high	3 Å²	3	49.1 Å²	49.1	1%	0.014	25%	0.247	C	C	.	.	H	α-helix	trans	-64.7	-42.3	170.8	-177.9	175.3	-4.3	0	0	111.4	G343 F348 W351 Y369 A370 Y375 Y376 F377	G343-Q373 PolarHBondContact O-NE2 3.24Å; F348-Q373 HydrophobicContact CE1-CB 4.38Å; W351-Q373 HydrophobicContact CH2-CB 4.05Å; W351-Q373 HydrophobicContact CZ3-CB 4.02Å; Y369-Q373 PolarHBondContact O-N 2.75Å; A370-Q373 PolarHBondContact O-N 3.28Å; Q373-Y375 VanDerWaalsContact C-N 3.34Å; Q373-Y375 PolarHBondContact O-N 2.71Å; Q373-Y376 WeakPolarHBondContact O-CB 2.94Å; Q373-Y376 PolarHBondContact O-N 2.98Å; Q373-Y376 VanDerWaalsContact O-N 3.16Å; Q373-F377 HydrophobicContact CG-CD2 3.93Å; Q373-F377 HydrophobicContact CG-CE2 3.92Å; Q373-F377 WeakPolarHBondContact O-CD2 3.26Å; Q373-F377 PolarHBondContact O-N 3.48Å
374	D	97.7	Very high	97.3	Very high	39 Å²	39	43.2 Å²	43.2	21%	0.209	22%	0.219	C	C	.	.	H	α-helix	trans	-59.4	-44.7	172.2	-179.7	58.5	0	0	0	111.3	A370 E371 Y376 F377 H378 T404 T405	A370-D374 PolarHBondContact O-N 3.07Å; E371-D374 PolarHBondContact O-N 2.94Å; D374-Y376 VanDerWaalsContact C-N 3.3Å; D374-Y376 PolarHBondContact O-N 3.28Å; D374-F377 PolarHBondContact O-N 3.46Å; D374-H378 VanDerWaalsContact O-CB 3.22Å; D374-H378 WeakPolarHBondContact O-CB 3.42Å; D374-H378 PolarHBondContact O-N 3.23Å; D374-T404 HydrophobicContact CB-CG2 4.35Å; D374-T404 WeakPolarHBondContact OD1-CA 3.28Å; D374-T405 WeakPolarHBondContact OD1-CB 3.06Å; D374-T405 PolarHBondContact OD1-N 3.48Å; D374-T405 PolarHBondContact OD1-OG1 3.17Å
375	Y	98	Very high	97.3	Very high	41 Å²	41	44.8 Å²	44.8	16%	0.161	22%	0.224	C	C	.	.	H	α-helix	trans	-56.7	-43.4	173.5	176.9	-90.6	0	0	0	112.2	Y320 F360 M364 Y366 E371 L372 Q373 H378 N379	Y320-Y375 HydrophobicContact CE2-CE1 4.32Å; Y320-Y375 WeakPolarHBondContact OH-CE1 3.42Å; F360-Y375 HydrophobicContact CE1-CD1 4.25Å; F360-Y375 HydrophobicContact CE1-CE1 4.12Å; F360-Y375 HydrophobicContact CZ-CD1 4.35Å; F360-Y375 AromaticContact CZ-CE1 3.77Å; F360-Y375 HydrophobicContact CZ-CE1 3.77Å; F360-Y375 HydrophobicContact CZ-CE2 4.06Å; F360-Y375 AromaticContact CZ-CZ 3.61Å; M364-Y375 HydrophobicContact CE-CD2 4.29Å; M364-Y375 HydrophobicContact CE-CE2 4.22Å; Y366-Y375 HydrophobicContact CE2-CD2 4.5Å; Y366-Y375 HydrophobicContact CE2-CG 4.46Å; E371-Y375 WeakPolarHBondContact O-CB 3.14Å; E371-Y375 PolarHBondContact O-N 3.27Å; L372-Y375 HydrophobicContact CD1-CD1 4.35Å; L372-Y375 WeakPolarHBondContact O-CB 3.39Å; L372-Y375 PolarHBondContact O-N 3.47Å; Q373-Y375 VanDerWaalsContact C-N 3.34Å; Q373-Y375 PolarHBondContact O-N 2.71Å; Y375-H378 PolarHBondContact O-N 3.32Å; Y375-N379 WeakPolarHBondContact CE1-ND2 3.26Å; Y375-N379 PolarHBondContact O-N 3.4Å; Y375-N379 PolarHBondContact O-ND2 2.97Å; Y375-N379 PolarHBondContact OH-ND2 3.06Å
376	Y	98.3	Very high	97.2	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.5	-57.2	175.9	171.1	-99.4	0	0	0	112.1	T278 P279 L312 P314 Y320 L323 L372 Q373 D374 H378 N379 L380	T278-Y376 WeakPolarHBondContact CB-OH 3.19Å; T278-Y376 PolarHBondContact OG1-OH 2.9Å; P279-Y376 HydrophobicContact CB-CD1 4.08Å; P279-Y376 HydrophobicContact CB-CD2 4.37Å; P279-Y376 HydrophobicContact CB-CE1 4Å; P279-Y376 HydrophobicContact CB-CE2 4.3Å; P279-Y376 HydrophobicContact CB-CG 4.27Å; P279-Y376 HydrophobicContact CG-CD1 3.84Å; P279-Y376 HydrophobicContact CG-CE1 4.08Å; P279-Y376 HydrophobicContact CG-CG 4.26Å; L312-Y376 HydrophobicContact CD1-CE2 4.19Å; L312-Y376 HydrophobicContact CD2-CD2 3.92Å; L312-Y376 HydrophobicContact CD2-CE2 3.6Å; P314-Y376 HydrophobicContact CB-CD2 4.09Å; P314-Y376 HydrophobicContact CB-CG 4.46Å; Y320-Y376 AromaticContact CE1-CD2 3.99Å; Y320-Y376 HydrophobicContact CE1-CD2 3.99Å; Y320-Y376 HydrophobicContact CE1-CE2 4.25Å; Y320-Y376 WeakPolarHBondContact OH-CA 3.43Å; L323-Y376 HydrophobicContact CD1-CE2 3.85Å; L372-Y376 PolarHBondContact O-N 3.4Å; Q373-Y376 WeakPolarHBondContact O-CB 2.94Å; Q373-Y376 PolarHBondContact O-N 2.98Å; Q373-Y376 VanDerWaalsContact O-N 3.16Å; D374-Y376 VanDerWaalsContact C-N 3.3Å; D374-Y376 PolarHBondContact O-N 3.28Å; Y376-H378 VanDerWaalsContact C-N 3.31Å; Y376-H378 PolarHBondContact O-N 2.86Å; Y376-N379 PolarHBondContact O-N 3.01Å; Y376-L380 HydrophobicContact CE1-CD2 4.07Å; Y376-L380 PolarHBondContact O-N 2.93Å
377	F	98	Very high	97.1	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.8	-35.6	-178.8	-82.8	-70.8	0	0	0	111.8	T278 L341 Q373 D374 N379 L380 H381 Y395 V399 T404	T278-F377 WeakPolarHBondContact O-CZ 3.31Å; L341-F377 HydrophobicContact CB-CE1 4.4Å; Q373-F377 HydrophobicContact CG-CD2 3.93Å; Q373-F377 HydrophobicContact CG-CE2 3.92Å; Q373-F377 WeakPolarHBondContact O-CD2 3.26Å; Q373-F377 PolarHBondContact O-N 3.48Å; D374-F377 PolarHBondContact O-N 3.46Å; F377-N379 VanDerWaalsContact C-N 3.32Å; F377-N379 PolarHBondContact O-N 3.33Å; F377-L380 HydrophobicContact CD1-CD2 4.33Å; F377-L380 HydrophobicContact CE1-CD2 4.43Å; F377-L380 PolarHBondContact O-N 2.9Å; F377-H381 WeakPolarHBondContact O-CB 3.49Å; F377-H381 PolarHBondContact O-CD2 3Å; F377-H381 PolarHBondContact O-N 2.78Å; F377-H381 PolarHBondContact O-ND1 3.4Å; F377-H381 VanDerWaalsContact O-ND1 3.15Å; F377-Y395 HydrophobicContact CD1-CD1 4.38Å; F377-Y395 AromaticContact CD1-CE1 3.86Å; F377-Y395 HydrophobicContact CD1-CE1 3.86Å; F377-Y395 AromaticContact CE1-CD1 3.91Å; F377-Y395 HydrophobicContact CE1-CD1 3.91Å; F377-Y395 AromaticContact CE1-CE1 3.76Å; F377-Y395 HydrophobicContact CE1-CE1 3.76Å; F377-Y395 HydrophobicContact CZ-CD1 4.42Å; F377-V399 HydrophobicContact CD2-CG1 4.02Å; F377-V399 HydrophobicContact CE2-CG1 4Å; F377-V399 HydrophobicContact CE2-CG2 3.75Å; F377-V399 HydrophobicContact CG-CG1 4.39Å; F377-V399 HydrophobicContact CZ-CG1 4.35Å; F377-V399 HydrophobicContact CZ-CG2 3.76Å; F377-T404 HydrophobicContact CB-CG2 3.55Å; F377-T404 HydrophobicContact CD2-CG2 3.84Å; F377-T404 HydrophobicContact CG-CG2 3.94Å
378	H	97.2	Very high	97.1	Very high	82 Å²	82	42.9 Å²	42.9	38%	0.38	20%	0.198	S	C	.	.	H	α-helix	trans	-58.6	-43.3	175.9	-175.5	85.2	0	0	0	112.2	D374 Y375 Y376 K382	D374-H378 VanDerWaalsContact O-CB 3.22Å; D374-H378 WeakPolarHBondContact O-CB 3.42Å; D374-H378 PolarHBondContact O-N 3.23Å; Y375-H378 PolarHBondContact O-N 3.32Å; Y376-H378 VanDerWaalsContact C-N 3.31Å; Y376-H378 PolarHBondContact O-N 2.86Å; H378-K382 VanDerWaalsContact CD2-CE 3.49Å; H378-K382 WeakPolarHBondContact CD2-CE 3.4Å; H378-K382 PolarHBondContact CD2-NZ 3.48Å; H378-K382 VanDerWaalsContact CD2-NZ 3.28Å; H378-K382 WeakPolarHBondContact NE2-CE 3.31Å; H378-K382 PolarHBondContact NE2-NZ 2.91Å; H378-K382 PolarHBondContact O-N 3.29Å
379	N	97.8	Very high	96.9	Very high	26 Å²	26	44.7 Å²	44.7	14%	0.139	21%	0.209	C	C	.	.	H	α-helix	trans	-72.6	-39.5	176.4	-73.3	-41.8	0	0	0	112.4	Y320 Y375 Y376 F377 H381 K382 I383	Y320-N379 HydrophobicContact CD1-CB 3.73Å; Y320-N379 HydrophobicContact CE1-CB 3.35Å; Y320-N379 HydrophobicContact CE2-CB 4.24Å; Y320-N379 HydrophobicContact CG-CB 4.31Å; Y375-N379 WeakPolarHBondContact CE1-ND2 3.26Å; Y375-N379 PolarHBondContact O-N 3.4Å; Y375-N379 PolarHBondContact O-ND2 2.97Å; Y375-N379 PolarHBondContact OH-ND2 3.06Å; Y376-N379 PolarHBondContact O-N 3.01Å; F377-N379 VanDerWaalsContact C-N 3.32Å; F377-N379 PolarHBondContact O-N 3.33Å; N379-H381 PolarHBondContact O-N 3.09Å; N379-K382 WeakPolarHBondContact O-CB 3.46Å; N379-K382 PolarHBondContact O-N 3.28Å; N379-I383 PolarHBondContact O-N 2.96Å
380	L	97.9	Very high	96.8	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.8	-46.3	173.4	-178.6	60	0	0	0	111.2	L323 F327 L341 Y376 F377 K382 I383 L384	L323-L380 HydrophobicContact CB-CD1 4.43Å; L323-L380 HydrophobicContact CD1-CD1 4.38Å; F327-L380 HydrophobicContact CD2-CD1 4.04Å; F327-L380 HydrophobicContact CE2-CD1 3.8Å; L341-L380 HydrophobicContact CD1-CD2 4.21Å; Y376-L380 HydrophobicContact CE1-CD2 4.07Å; Y376-L380 PolarHBondContact O-N 2.93Å; F377-L380 HydrophobicContact CD1-CD2 4.33Å; F377-L380 HydrophobicContact CE1-CD2 4.43Å; F377-L380 PolarHBondContact O-N 2.9Å; L380-K382 VanDerWaalsContact C-N 3.28Å; L380-K382 PolarHBondContact O-N 2.72Å; L380-I383 WeakPolarHBondContact O-CA 3.26Å; L380-I383 WeakPolarHBondContact O-CB 3.49Å; L380-I383 PolarHBondContact O-N 3.38Å; L380-L384 HydrophobicContact CD1-CD1 4.01Å; L380-L384 HydrophobicContact CD1-CD2 4.11Å; L380-L384 HydrophobicContact CD1-CG 3.9Å; L380-L384 HydrophobicContact CD2-CD1 4.29Å; L380-L384 HydrophobicContact CG-CD1 3.79Å; L380-L384 HydrophobicContact CG-CG 4.07Å; L380-L384 WeakPolarHBondContact O-CG 3.03Å; L380-L384 PolarHBondContact O-N 3.37Å
381	H	97.1	Very high	96.7	Very high	11 Å²	11	50.2 Å²	50.2	5%	0.051	23%	0.234	C	C	.	.	H	α-helix	trans	-57.5	-38.1	177.3	-64.9	153.8	0	0	0	112.7	F377 N379 I383 L384 K385 Y395 T405	F377-H381 WeakPolarHBondContact O-CB 3.49Å; F377-H381 PolarHBondContact O-CD2 3Å; F377-H381 PolarHBondContact O-N 2.78Å; F377-H381 PolarHBondContact O-ND1 3.4Å; F377-H381 VanDerWaalsContact O-ND1 3.15Å; N379-H381 PolarHBondContact O-N 3.09Å; H381-I383 VanDerWaalsContact C-N 3.32Å; H381-I383 PolarHBondContact O-N 3.11Å; H381-L384 PolarHBondContact O-N 2.79Å; H381-K385 VanDerWaalsContact O-CB 3.28Å; H381-K385 WeakPolarHBondContact O-CB 3.26Å; H381-K385 VanDerWaalsContact O-CG 3.25Å; H381-K385 WeakPolarHBondContact O-CG 3.28Å; H381-K385 PolarHBondContact O-N 3.33Å; H381-Y395 PolarHBondContact CD2-OH 3.3Å; H381-Y395 AromaticContact NE2-CE1 3.85Å; H381-Y395 AromaticContact NE2-CZ 3.62Å; H381-Y395 PolarHBondContact NE2-OH 3.38Å; H381-T405 PolarHBondContact CE1-O 3.02Å
382	K	96.7	Very high	96.7	Very high	119 Å²	119	49.6 Å²	49.6	52%	0.517	23%	0.229	S	C	.	.	H	α-helix	trans	-61.7	-41.8	175.4	-72.9	173.5	-175.6	159.7	0	111.6	H378 N379 L380 R386	H378-K382 VanDerWaalsContact CD2-CE 3.49Å; H378-K382 WeakPolarHBondContact CD2-CE 3.4Å; H378-K382 PolarHBondContact CD2-NZ 3.48Å; H378-K382 VanDerWaalsContact CD2-NZ 3.28Å; H378-K382 WeakPolarHBondContact NE2-CE 3.31Å; H378-K382 PolarHBondContact NE2-NZ 2.91Å; H378-K382 PolarHBondContact O-N 3.29Å; N379-K382 WeakPolarHBondContact O-CB 3.46Å; N379-K382 PolarHBondContact O-N 3.28Å; L380-K382 VanDerWaalsContact C-N 3.28Å; L380-K382 PolarHBondContact O-N 2.72Å; K382-R386 PolarHBondContact O-N 3.31Å
383	I	97.5	Very high	96.7	Very high	16 Å²	16	49.8 Å²	49.8	8%	0.082	23%	0.229	C	C	.	.	H	α-helix	trans	-63.5	-54.1	176.2	-68.9	161.8	0	0	0	109.8	Y320 A324 N379 L380 H381 K385 R386 L387	Y320-I383 HydrophobicContact CD1-CD1 4.2Å; Y320-I383 HydrophobicContact CG-CD1 4.49Å; Y320-I383 VanDerWaalsContact O-CD1 3.25Å; Y320-I383 WeakPolarHBondContact O-CD1 3.48Å; A324-I383 VanDerWaalsContact CA-CG2 3.47Å; A324-I383 HydrophobicContact CB-CD1 4.29Å; A324-I383 HydrophobicContact CB-CG1 4.25Å; A324-I383 HydrophobicContact CB-CG2 3.6Å; N379-I383 PolarHBondContact O-N 2.96Å; L380-I383 WeakPolarHBondContact O-CA 3.26Å; L380-I383 WeakPolarHBondContact O-CB 3.49Å; L380-I383 PolarHBondContact O-N 3.38Å; H381-I383 VanDerWaalsContact C-N 3.32Å; H381-I383 PolarHBondContact O-N 3.11Å; I383-K385 PolarHBondContact O-N 2.82Å; I383-R386 WeakPolarHBondContact O-CB 3.49Å; I383-R386 PolarHBondContact O-N 2.83Å; I383-R386 VanDerWaalsContact O-N 3.15Å; I383-L387 HydrophobicContact CG2-CD1 4.03Å; I383-L387 WeakPolarHBondContact O-CG 3.46Å; I383-L387 PolarHBondContact O-N 3.5Å
384	L	97	Very high	96.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.3	-40.8	-172	-59.2	-178	0	0	0	112.1	F327 F331 L341 L380 H381 R386 L387 D388 F393	F327-L384 HydrophobicContact CB-CD2 3.64Å; F327-L384 HydrophobicContact CD1-CD2 3.99Å; F327-L384 HydrophobicContact CD2-CD2 3.76Å; F327-L384 HydrophobicContact CE2-CD2 4.39Å; F327-L384 HydrophobicContact CG-CD2 3.53Å; F331-L384 HydrophobicContact CE2-CD2 4.07Å; F331-L384 HydrophobicContact CZ-CD2 3.78Å; L341-L384 HydrophobicContact CD1-CD1 3.5Å; L341-L384 VanDerWaalsContact CD1-CD1 3.5Å; L341-L384 HydrophobicContact CD2-CD1 3.79Å; L341-L384 HydrophobicContact CG-CD1 4.31Å; L380-L384 HydrophobicContact CD1-CD1 4.01Å; L380-L384 HydrophobicContact CD1-CD2 4.11Å; L380-L384 HydrophobicContact CD1-CG 3.9Å; L380-L384 HydrophobicContact CD2-CD1 4.29Å; L380-L384 HydrophobicContact CG-CD1 3.79Å; L380-L384 HydrophobicContact CG-CG 4.07Å; L380-L384 WeakPolarHBondContact O-CG 3.03Å; L380-L384 PolarHBondContact O-N 3.37Å; H381-L384 PolarHBondContact O-N 2.79Å; L384-R386 PolarHBondContact O-N 3.21Å; L384-L387 HydrophobicContact CD2-CD1 4.46Å; L384-L387 PolarHBondContact O-N 3.23Å; L384-D388 PolarHBondContact O-N 2.84Å; L384-F393 HydrophobicContact CB-CE1 4.08Å; L384-F393 HydrophobicContact CB-CE2 4.14Å; L384-F393 HydrophobicContact CB-CZ 3.49Å; L384-F393 VanDerWaalsContact CB-CZ 3.49Å; L384-F393 HydrophobicContact CD1-CD1 4.15Å; L384-F393 HydrophobicContact CD1-CE1 3.67Å; L384-F393 HydrophobicContact CD1-CE2 4.38Å; L384-F393 HydrophobicContact CD1-CZ 3.82Å; L384-F393 HydrophobicContact CG-CE1 4.44Å; L384-F393 HydrophobicContact CG-CZ 4.29Å
385	K	95.6	Very high	96.8	Very high	111 Å²	111	47.8 Å²	47.8	48%	0.483	22%	0.219	S	C	.	.	H	α-helix	trans	-62.1	-29.5	175.1	-74.3	177.9	179.2	-179.7	0	113.3	H381 I383 P389	H381-K385 VanDerWaalsContact O-CB 3.28Å; H381-K385 WeakPolarHBondContact O-CB 3.26Å; H381-K385 VanDerWaalsContact O-CG 3.25Å; H381-K385 WeakPolarHBondContact O-CG 3.28Å; H381-K385 PolarHBondContact O-N 3.33Å; I383-K385 PolarHBondContact O-N 2.82Å; K385-P389 WeakPolarHBondContact O-CA 3.38Å
386	R	96.3	Very high	96.8	Very high	183 Å²	183	45.9 Å²	45.9	69%	0.691	21%	0.211	S	C	*	.	H	α-helix	trans	-73.8	-33.8	174.6	-178.3	-179.1	64.8	-178.2	-1.4	111.6	K382 I383 L384	K382-R386 PolarHBondContact O-N 3.31Å; I383-R386 WeakPolarHBondContact O-CB 3.49Å; I383-R386 PolarHBondContact O-N 2.83Å; I383-R386 VanDerWaalsContact O-N 3.15Å; L384-R386 PolarHBondContact O-N 3.21Å
387	L	96.1	Very high	96.8	Very high	52 Å²	52	46.3 Å²	46.3	27%	0.272	21%	0.213	S	C	.	.	H	α-helix	trans	-76.4	-46	179.7	-66.1	175.1	0	0	0	111.7	F327 Q328 F331 I383 L384	F327-L387 HydrophobicContact CB-CD1 3.88Å; Q328-L387 HydrophobicContact CB-CD1 4.28Å; Q328-L387 HydrophobicContact CB-CD2 3.8Å; Q328-L387 HydrophobicContact CG-CD2 4.05Å; F331-L387 HydrophobicContact CD2-CB 4.1Å; F331-L387 HydrophobicContact CE2-CB 4.34Å; I383-L387 HydrophobicContact CG2-CD1 4.03Å; I383-L387 WeakPolarHBondContact O-CG 3.46Å; I383-L387 PolarHBondContact O-N 3.5Å; L384-L387 HydrophobicContact CD2-CD1 4.46Å; L384-L387 PolarHBondContact O-N 3.23Å
388	D	94.8	Very high	96.8	Very high	44 Å²	44	46.9 Å²	46.9	24%	0.235	22%	0.216	C	C	.	.			trans	-151.8	97.9	179.2	-170.6	-11.1	0	0	0	110.1	F331 L384 E390 R391	F331-D388 HydrophobicContact CD2-CB 4.01Å; F331-D388 HydrophobicContact CE2-CB 4.27Å; L384-D388 PolarHBondContact O-N 2.84Å; D388-E390 VanDerWaalsContact C-N 3.29Å; D388-E390 PolarHBondContact O-N 3.06Å; D388-E390 PolarHBondContact OD1-N 3.37Å; D388-R391 HydrophobicContact CB-CB 3.98Å; D388-R391 PolarHBondContact O-N 2.8Å; D388-R391 IonicContact OD2-CZ 3.58Å; D388-R391 VanDerWaalsContact OD2-CZ 3.27Å; D388-R391 IonicContact OD2-NE 2.72Å; D388-R391 PolarHBondContact OD2-NE 2.75Å; D388-R391 IonicContact OD2-NH2 2.76Å; D388-R391 PolarHBondContact OD2-NH2 3.36Å
389	P	94	Very high	96.8	Very high	88 Å²	88	43 Å²	43	57%	0.571	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-22.7	-173.1	26.5	-34.1	0	0	0	114.2	K385	K385-P389 WeakPolarHBondContact O-CA 3.38Å
390	E	93.2	Very high	96.9	Very high	156 Å²	156	42.6 Å²	42.6	73%	0.729	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-10.5	-177.4	-60.8	-56.3	133.9	0	0	112.5	D388 R392	D388-E390 VanDerWaalsContact C-N 3.29Å; D388-E390 PolarHBondContact O-N 3.06Å; D388-E390 PolarHBondContact OD1-N 3.37Å; E390-R392 PolarHBondContact O-N 2.69Å
391	R	95.3	Very high	96.8	Very high	17 Å²	17	44.9 Å²	44.9	6%	0.064	21%	0.207	C	C	.	.			trans	-64	134.9	-179	-167.5	158	-65.6	-119.9	-1.3	111.5	F331 F334 D336 D388 F393	F331-R391 VanDerWaalsContact CZ-CD 3.5Å; F334-R391 PolarHBondContact O-NH1 2.93Å; D336-R391 VanDerWaalsContact O-CZ 3.28Å; D336-R391 PolarHBondContact O-NH1 2.77Å; D388-R391 HydrophobicContact CB-CB 3.98Å; D388-R391 PolarHBondContact O-N 2.8Å; D388-R391 IonicContact OD2-CZ 3.58Å; D388-R391 VanDerWaalsContact OD2-CZ 3.27Å; D388-R391 IonicContact OD2-NE 2.72Å; D388-R391 PolarHBondContact OD2-NE 2.75Å; D388-R391 IonicContact OD2-NH2 2.76Å; D388-R391 PolarHBondContact OD2-NH2 3.36Å; R391-F393 HydrophobicContact CB-CE1 4.22Å; R391-F393 HydrophobicContact CB-CZ 4.17Å; R391-F393 HydrophobicContact CG-CE1 3.87Å; R391-F393 HydrophobicContact CG-CZ 4.33Å
392	R	96.9	Very high	96.8	Very high	54 Å²	54	48.1 Å²	48.1	20%	0.204	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	148.3	173.7	-61.8	179.1	67.6	-174.3	3	109.8	S337 A338 V339 E390 N409 I411 N432	S337-R392 PolarHBondContact O-N 2.68Å; A338-R392 VanDerWaalsContact CA-O 3.28Å; A338-R392 WeakPolarHBondContact CA-O 3.03Å; A338-R392 HydrophobicContact CB-CB 4.37Å; V339-R392 PolarHBondContact N-O 3.13Å; V339-R392 VanDerWaalsContact N-O 3.11Å; E390-R392 PolarHBondContact O-N 2.69Å; R392-N409 PolarHBondContact NE-O 2.94Å; R392-I411 VanDerWaalsContact NH2-CG1 3.33Å; R392-N432 PolarHBondContact NH2-ND2 3.01Å
393	F	98.2	Very high	96.7	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	134.1	178.4	-56.1	-58.3	0	0	0	109.9	F331 V339 L341 L384 R391 Y395 P407 I411	F331-F393 HydrophobicContact CZ-CE1 4.09Å; V339-F393 WeakPolarHBondContact O-CA 3.39Å; L341-F393 HydrophobicContact CD1-CB 3.83Å; L341-F393 HydrophobicContact CD1-CD1 3.68Å; L341-F393 HydrophobicContact CD1-CD2 4.4Å; L341-F393 HydrophobicContact CD1-CE1 4.43Å; L341-F393 HydrophobicContact CD1-CG 3.69Å; L341-F393 HydrophobicContact CD2-CD1 4.28Å; L341-F393 HydrophobicContact CG-CB 4.21Å; L341-F393 HydrophobicContact CG-CD1 3.97Å; L341-F393 HydrophobicContact CG-CG 4.29Å; L384-F393 HydrophobicContact CB-CE1 4.08Å; L384-F393 HydrophobicContact CB-CE2 4.14Å; L384-F393 HydrophobicContact CB-CZ 3.49Å; L384-F393 VanDerWaalsContact CB-CZ 3.49Å; L384-F393 HydrophobicContact CD1-CD1 4.15Å; L384-F393 HydrophobicContact CD1-CE1 3.67Å; L384-F393 HydrophobicContact CD1-CE2 4.38Å; L384-F393 HydrophobicContact CD1-CZ 3.82Å; L384-F393 HydrophobicContact CG-CE1 4.44Å; L384-F393 HydrophobicContact CG-CZ 4.29Å; R391-F393 HydrophobicContact CB-CE1 4.22Å; R391-F393 HydrophobicContact CB-CZ 4.17Å; R391-F393 HydrophobicContact CG-CE1 3.87Å; R391-F393 HydrophobicContact CG-CZ 4.33Å; F393-Y395 HydrophobicContact CB-CD2 4.49Å; F393-Y395 HydrophobicContact CB-CE1 4.4Å; F393-Y395 HydrophobicContact CB-CE2 3.51Å; F393-Y395 VanDerWaalsContact CB-CZ 3.44Å; F393-Y395 WeakPolarHBondContact CB-OH 3.3Å; F393-Y395 WeakPolarHBondContact O-CE2 3.35Å; F393-P407 HydrophobicContact CD2-CG 4.41Å; F393-I411 PolarHBondContact O-N 3.06Å
394	I	98.8	Very high	96.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	139.4	172.6	-51.6	157	0	0	0	107.6	Y189 V273 A338 V339 H340 L341 I411 Q413 L434	Y189-I394 HydrophobicContact CE2-CD1 4.18Å; V273-I394 HydrophobicContact CG1-CD1 3.75Å; A338-I394 HydrophobicContact CB-CD1 4.08Å; A338-I394 HydrophobicContact CB-CG1 4.48Å; V339-I394 PolarHBondContact O-N 3.39Å; H340-I394 CarbonylContact C-O 3.57Å; H340-I394 WeakPolarHBondContact CA-O 3.35Å; H340-I394 HydrophobicContact CB-CB 4.35Å; H340-I394 VanDerWaalsContact CD2-CB 3.49Å; H340-I394 WeakPolarHBondContact CD2-CB 3.46Å; H340-I394 WeakPolarHBondContact CD2-CG2 3.33Å; H340-I394 WeakPolarHBondContact NE2-CG2 3.48Å; L341-I394 PolarHBondContact N-O 3.31Å; I394-I411 VanDerWaalsContact CA-O 3.3Å; I394-I411 WeakPolarHBondContact CA-O 3.33Å; I394-I411 HydrophobicContact CB-CB 4.34Å; I394-I411 HydrophobicContact CD1-CD1 4.45Å; I394-I411 HydrophobicContact CG1-CB 3.87Å; I394-I411 HydrophobicContact CG1-CD1 3.77Å; I394-I411 HydrophobicContact CG1-CG1 4.38Å; I394-I411 HydrophobicContact CG1-CG2 4.22Å; I394-I411 HydrophobicContact CG2-CB 4.24Å; I394-I411 HydrophobicContact CG2-CG2 4.09Å; I394-Q413 HydrophobicContact CG2-CB 4.13Å; I394-L434 HydrophobicContact CG2-CD1 4.17Å
395	Y	98.7	Very high	96.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149	179.6	-53	-92.7	0	0	0	109.6	L341 G342 F377 H381 F393 V399 L406 A410 I411 Q413	L341-Y395 HydrophobicContact CB-CD1 4.12Å; L341-Y395 HydrophobicContact CB-CE1 3.93Å; L341-Y395 HydrophobicContact CD1-CE1 3.69Å; L341-Y395 HydrophobicContact CG-CE1 4.29Å; G342-Y395 WeakPolarHBondContact O-CA 3.48Å; F377-Y395 HydrophobicContact CD1-CD1 4.38Å; F377-Y395 AromaticContact CD1-CE1 3.86Å; F377-Y395 HydrophobicContact CD1-CE1 3.86Å; F377-Y395 AromaticContact CE1-CD1 3.91Å; F377-Y395 HydrophobicContact CE1-CD1 3.91Å; F377-Y395 AromaticContact CE1-CE1 3.76Å; F377-Y395 HydrophobicContact CE1-CE1 3.76Å; F377-Y395 HydrophobicContact CZ-CD1 4.42Å; H381-Y395 PolarHBondContact CD2-OH 3.3Å; H381-Y395 AromaticContact NE2-CE1 3.85Å; H381-Y395 AromaticContact NE2-CZ 3.62Å; H381-Y395 PolarHBondContact NE2-OH 3.38Å; F393-Y395 HydrophobicContact CB-CD2 4.49Å; F393-Y395 HydrophobicContact CB-CE1 4.4Å; F393-Y395 HydrophobicContact CB-CE2 3.51Å; F393-Y395 VanDerWaalsContact CB-CZ 3.44Å; F393-Y395 WeakPolarHBondContact CB-OH 3.3Å; F393-Y395 WeakPolarHBondContact O-CE2 3.35Å; Y395-V399 HydrophobicContact CD1-CB 4.3Å; Y395-V399 HydrophobicContact CD1-CG1 3.98Å; Y395-V399 HydrophobicContact CD1-CG2 4.08Å; Y395-V399 HydrophobicContact CG-CB 4.35Å; Y395-V399 HydrophobicContact CG-CG1 4.29Å; Y395-V399 HydrophobicContact CG-CG2 4.4Å; Y395-L406 HydrophobicContact CD1-CD2 4.29Å; Y395-L406 HydrophobicContact CD2-CD2 3.71Å; Y395-L406 HydrophobicContact CE1-CD2 4.23Å; Y395-L406 HydrophobicContact CE2-CD2 3.67Å; Y395-L406 HydrophobicContact CG-CD2 4.04Å; Y395-A410 HydrophobicContact CD2-CB 4.29Å; Y395-A410 HydrophobicContact CE2-CB 3.91Å; Y395-I411 PolarHBondContact N-O 3.15Å; Y395-Q413 PolarHBondContact O-N 2.79Å
396	W	98.7	Very high	96.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	155.7	161.9	-64.6	118	0	0	0	110.6	L193 H222 E275 H340 G342 D344 E398 V399 Q413 W415 W479	L193-W396 HydrophobicContact CD1-CH2 3.92Å; L193-W396 HydrophobicContact CD1-CZ2 3.74Å; H222-W396 AromaticContact CE1-CZ2 3.86Å; E275-W396 PolarHBondContact OE1-NE1 3.01Å; H340-W396 AromaticContact CE1-CD1 3.53Å; H340-W396 AromaticContact CE1-CD2 3.73Å; H340-W396 AromaticContact CE1-CE2 3.5Å; H340-W396 VanDerWaalsContact CE1-CE2 3.5Å; H340-W396 AromaticContact CE1-CG 3.75Å; H340-W396 AromaticContact CE1-NE1 3.33Å; H340-W396 PolarHBondContact CE1-NE1 3.43Å; H340-W396 VanDerWaalsContact CE1-NE1 3.33Å; H340-W396 AromaticContact ND1-NE1 3.96Å; H340-W396 AromaticContact NE2-CE2 3.9Å; G342-W396 PolarHBondContact O-N 3.14Å; D344-W396 HydrophobicContact CB-CB 3.69Å; D344-W396 HydrophobicContact CB-CG 3.82Å; W396-E398 PolarHBondContact O-N 2.88Å; W396-E398 VanDerWaalsContact O-N 3.09Å; W396-V399 PolarHBondContact O-N 3.22Å; W396-Q413 HydrophobicContact CE3-CB 3.9Å; W396-Q413 HydrophobicContact CE3-CG 3.83Å; W396-Q413 HydrophobicContact CH2-CG 4.29Å; W396-Q413 HydrophobicContact CZ3-CB 4.08Å; W396-Q413 VanDerWaalsContact CZ3-CD 3.44Å; W396-Q413 HydrophobicContact CZ3-CG 3.48Å; W396-Q413 VanDerWaalsContact CZ3-CG 3.48Å; W396-W415 HydrophobicContact CE3-CB 3.82Å; W396-W415 AromaticContact CE3-CD1 3.6Å; W396-W415 AromaticContact CE3-CG 3.93Å; W396-W415 HydrophobicContact CE3-CG 3.93Å; W396-W415 HydrophobicContact CZ3-CB 3.75Å; W396-W415 HydrophobicContact CZ3-CG 4.28Å; W396-W479 HydrophobicContact CH2-CH2 4.36Å; W396-W479 AromaticContact CH2-CZ2 3.96Å; W396-W479 HydrophobicContact CH2-CZ2 3.96Å; W396-W479 AromaticContact CZ2-CH2 3.64Å; W396-W479 HydrophobicContact CZ2-CH2 3.64Å; W396-W479 AromaticContact CZ2-CZ2 3.69Å; W396-W479 HydrophobicContact CZ2-CZ2 3.69Å
397	Q	98.2	Very high	96.5	Very high	9 Å²	9	40.1 Å²	40.1	4%	0.042	21%	0.208	C	C	.	.	H	α-helix	trans	-58.5	-26.9	-168.1	67.3	175.8	83.2	0	0	115	V399 F400 D401 V412 Q413 K416	Q397-V399 PolarHBondContact O-N 2.74Å; Q397-F400 WeakPolarHBondContact O-CB 3.44Å; Q397-F400 PolarHBondContact O-N 3.41Å; Q397-D401 PolarHBondContact NE2-OD2 2.66Å; Q397-D401 PolarHBondContact O-N 3.45Å; Q397-V412 HydrophobicContact CB-CG1 4.28Å; Q397-Q413 PolarHBondContact N-O 3.23Å; Q397-Q413 VanDerWaalsContact N-O 3.11Å; Q397-K416 HydrophobicContact CG-CD 4.37Å; Q397-K416 HydrophobicContact CG-CG 4.32Å
398	E	97.6	Very high	96.3	Very high	12 Å²	12	45.5 Å²	45.5	6%	0.056	24%	0.237	C	C	.	.	H	α-helix	trans	-53.8	-41.3	179.4	-76.5	89.9	153.8	0	0	112.6	E345 W396 F400 D401 E402 W415 K416	E345-E398 PolarHBondContact N-OE1 2.83Å; W396-E398 PolarHBondContact O-N 2.88Å; W396-E398 VanDerWaalsContact O-N 3.09Å; E398-F400 PolarHBondContact O-N 3.03Å; E398-D401 PolarHBondContact O-N 2.8Å; E398-D401 VanDerWaalsContact O-N 3.12Å; E398-E402 WeakPolarHBondContact O-CB 3.28Å; E398-E402 WeakPolarHBondContact O-CG 3.23Å; E398-E402 PolarHBondContact O-N 3.29Å; E398-W415 VanDerWaalsContact OE1-CZ2 3.24Å; E398-W415 WeakPolarHBondContact OE1-CZ2 3.38Å; E398-W415 PolarHBondContact OE1-NE1 3.11Å; E398-W415 PolarHBondContact OE2-NE1 2.8Å; E398-K416 VanDerWaalsContact CD-CE 3.49Å; E398-K416 WeakPolarHBondContact OE1-CE 3.49Å; E398-K416 IonicContact OE1-NZ 3.68Å; E398-K416 PolarHBondContact OE1-NZ 2.97Å; E398-K416 IonicContact OE2-NZ 2.65Å
399	V	97.7	Very high	96.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58	-40.1	-179.6	-174.6	0	0	0	0	110.1	F377 Y395 W396 Q397 T404 L406	F377-V399 HydrophobicContact CD2-CG1 4.02Å; F377-V399 HydrophobicContact CE2-CG1 4Å; F377-V399 HydrophobicContact CE2-CG2 3.75Å; F377-V399 HydrophobicContact CG-CG1 4.39Å; F377-V399 HydrophobicContact CZ-CG1 4.35Å; F377-V399 HydrophobicContact CZ-CG2 3.76Å; Y395-V399 HydrophobicContact CD1-CB 4.3Å; Y395-V399 HydrophobicContact CD1-CG1 3.98Å; Y395-V399 HydrophobicContact CD1-CG2 4.08Å; Y395-V399 HydrophobicContact CG-CB 4.35Å; Y395-V399 HydrophobicContact CG-CG1 4.29Å; Y395-V399 HydrophobicContact CG-CG2 4.4Å; W396-V399 PolarHBondContact O-N 3.22Å; Q397-V399 PolarHBondContact O-N 2.74Å; V399-T404 HydrophobicContact CG1-CG2 3.72Å; V399-T404 WeakPolarHBondContact O-CB 3.41Å; V399-T404 PolarHBondContact O-N 3.34Å; V399-T404 PolarHBondContact O-OG1 2.56Å; V399-L406 HydrophobicContact CG1-CD2 3.62Å
400	F	98	Very high	96.4	Very high	18 Å²	18	42 Å²	42	8%	0.079	21%	0.214	C	C	.	.	H	α-helix	trans	-75.6	-43.3	174.5	175.7	-96.7	0	0	0	112.8	Q397 E398 E402 N403 L406 V412 K425 I426 N429 F431	Q397-F400 WeakPolarHBondContact O-CB 3.44Å; Q397-F400 PolarHBondContact O-N 3.41Å; E398-F400 PolarHBondContact O-N 3.03Å; F400-E402 VanDerWaalsContact C-N 3.3Å; F400-E402 PolarHBondContact O-N 3.07Å; F400-N403 PolarHBondContact O-N 2.87Å; F400-N403 VanDerWaalsContact O-N 3.11Å; F400-L406 HydrophobicContact CB-CD1 4.14Å; F400-L406 HydrophobicContact CD2-CD1 4.21Å; F400-V412 HydrophobicContact CB-CG1 3.91Å; F400-V412 HydrophobicContact CB-CG2 4.11Å; F400-V412 HydrophobicContact CD2-CG2 4.48Å; F400-V412 HydrophobicContact CG-CG1 4.5Å; F400-V412 HydrophobicContact CG-CG2 4.44Å; F400-K425 HydrophobicContact CE1-CB 4.45Å; F400-K425 HydrophobicContact CE1-CD 3.76Å; F400-K425 HydrophobicContact CE1-CG 3.78Å; F400-K425 HydrophobicContact CZ-CD 4.44Å; F400-K425 HydrophobicContact CZ-CG 4.06Å; F400-I426 HydrophobicContact CD1-CD1 4.42Å; F400-I426 HydrophobicContact CD1-CG1 3.61Å; F400-I426 HydrophobicContact CE1-CB 4.43Å; F400-I426 HydrophobicContact CE1-CG1 3.52Å; F400-I426 HydrophobicContact CG-CG1 4.16Å; F400-I426 HydrophobicContact CZ-CG1 4.03Å; F400-N429 HydrophobicContact CE2-CB 4.09Å; F400-N429 HydrophobicContact CZ-CB 4.23Å; F400-F431 HydrophobicContact CD2-CD2 4.02Å; F400-F431 HydrophobicContact CD2-CE2 4.1Å; F400-F431 AromaticContact CE2-CD2 3.68Å; F400-F431 HydrophobicContact CE2-CD2 3.68Å; F400-F431 AromaticContact CE2-CE2 3.8Å; F400-F431 HydrophobicContact CE2-CE2 3.8Å
401	D	97	Very high	96.7	Very high	48 Å²	48	34.9 Å²	34.9	26%	0.257	18%	0.18	S	C	.	.	H	α-helix	trans	-64.9	-33.5	-176.6	-77.3	-30.7	0	0	0	112.8	Q397 E398 N403 K425	Q397-D401 PolarHBondContact NE2-OD2 2.66Å; Q397-D401 PolarHBondContact O-N 3.45Å; E398-D401 PolarHBondContact O-N 2.8Å; E398-D401 VanDerWaalsContact O-N 3.12Å; D401-N403 PolarHBondContact O-N 2.93Å; D401-K425 IonicContact OD1-NZ 3.87Å; D401-K425 PolarHBondContact OD1-NZ 3.37Å
402	E	96	Very high	96.8	Very high	80 Å²	80	34 Å²	34	37%	0.374	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	12.4	176.1	-59.4	-56.7	159.6	0	0	113.5	F348 A370 E398 F400 T404	F348-E402 HydrophobicContact CZ-CG 4.45Å; A370-E402 HydrophobicContact CB-CB 4.06Å; E398-E402 WeakPolarHBondContact O-CB 3.28Å; E398-E402 WeakPolarHBondContact O-CG 3.23Å; E398-E402 PolarHBondContact O-N 3.29Å; F400-E402 VanDerWaalsContact C-N 3.3Å; F400-E402 PolarHBondContact O-N 3.07Å; E402-T404 VanDerWaalsContact C-N 3.34Å; E402-T404 PolarHBondContact O-N 3.49Å
403	N	95.5	Very high	96.9	Very high	134 Å²	134	31.5 Å²	31.5	72%	0.717	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	31.9	176.5	-52.1	-71.4	0	0	0	115.1	F400 D401	F400-N403 PolarHBondContact O-N 2.87Å; F400-N403 VanDerWaalsContact O-N 3.11Å; D401-N403 PolarHBondContact O-N 2.93Å
404	T	95.7	Very high	96.9	Very high	9 Å²	9	31.3 Å²	31.3	6%	0.055	17%	0.166	C	C	.	.			trans	-64.8	138.4	170.9	-52.1	0	0	0	0	110	D374 F377 V399 E402 L406	D374-T404 HydrophobicContact CB-CG2 4.35Å; D374-T404 WeakPolarHBondContact OD1-CA 3.28Å; F377-T404 HydrophobicContact CB-CG2 3.55Å; F377-T404 HydrophobicContact CD2-CG2 3.84Å; F377-T404 HydrophobicContact CG-CG2 3.94Å; V399-T404 HydrophobicContact CG1-CG2 3.72Å; V399-T404 WeakPolarHBondContact O-CB 3.41Å; V399-T404 PolarHBondContact O-N 3.34Å; V399-T404 PolarHBondContact O-OG1 2.56Å; E402-T404 VanDerWaalsContact C-N 3.34Å; E402-T404 PolarHBondContact O-N 3.49Å; T404-L406 PolarHBondContact O-N 2.81Å
405	T	95.1	Very high	96.9	Very high	88 Å²	88	33 Å²	33	54%	0.54	17%	0.173	S	C	.	.			trans	-71	98.2	178.5	-54.5	0	0	0	0	110.7	D374 H381	D374-T405 WeakPolarHBondContact OD1-CB 3.06Å; D374-T405 PolarHBondContact OD1-N 3.48Å; D374-T405 PolarHBondContact OD1-OG1 3.17Å; H381-T405 PolarHBondContact CE1-O 3.02Å
406	L	96.4	Very high	96.8	Very high	18 Å²	18	36.6 Å²	36.6	9%	0.094	19%	0.189	C	C	.	.			trans	-83.4	146.7	178.7	-67.1	179.4	0	0	0	113	Y395 V399 F400 T404 A410 V412 F431	Y395-L406 HydrophobicContact CD1-CD2 4.29Å; Y395-L406 HydrophobicContact CD2-CD2 3.71Å; Y395-L406 HydrophobicContact CE1-CD2 4.23Å; Y395-L406 HydrophobicContact CE2-CD2 3.67Å; Y395-L406 HydrophobicContact CG-CD2 4.04Å; V399-L406 HydrophobicContact CG1-CD2 3.62Å; F400-L406 HydrophobicContact CB-CD1 4.14Å; F400-L406 HydrophobicContact CD2-CD1 4.21Å; T404-L406 PolarHBondContact O-N 2.81Å; L406-A410 HydrophobicContact CB-CB 3.96Å; L406-A410 HydrophobicContact CD1-CB 4.32Å; L406-V412 HydrophobicContact CD1-CG2 3.79Å; L406-F431 HydrophobicContact CB-CE1 3.82Å; L406-F431 HydrophobicContact CB-CZ 3.96Å; L406-F431 HydrophobicContact CD1-CE1 4.5Å
407	P	94.7	Very high	96.6	Very high	11 Å²	11	44 Å²	44	7%	0.071	23%	0.228	C	C	.	.			trans	-58.4	148.1	165.8	-22.2	33.5	0	0	0	112.1	F393 N409 A410	F393-P407 HydrophobicContact CD2-CG 4.41Å; P407-N409 PolarHBondContact O-N 3.33Å; P407-N409 VanDerWaalsContact O-N 3.09Å; P407-A410 WeakPolarHBondContact O-CB 3.36Å; P407-A410 PolarHBondContact O-N 3.47Å
408	L	91.5	Very high	96.5	Very high	165 Å²	165	45.5 Å²	45.5	86%	0.864	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.7	-177.3	-68.6	173.5	0	0	0	114.4
409	N	93.7	Very high	96.4	Very high	60 Å²	60	46.8 Å²	46.8	32%	0.321	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	11.3	179.5	65.7	-18.9	0	0	0	113.6	R392 P407	R392-N409 PolarHBondContact NE-O 2.94Å; P407-N409 PolarHBondContact O-N 3.33Å; P407-N409 VanDerWaalsContact O-N 3.09Å
410	A	97.7	Very high	96.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.268	C	S	.	.			trans	-59.7	152.1	178	0	0	0	0	0	112.1	Y395 L406 P407 F431 N432	Y395-A410 HydrophobicContact CD2-CB 4.29Å; Y395-A410 HydrophobicContact CE2-CB 3.91Å; L406-A410 HydrophobicContact CB-CB 3.96Å; L406-A410 HydrophobicContact CD1-CB 4.32Å; P407-A410 WeakPolarHBondContact O-CB 3.36Å; P407-A410 PolarHBondContact O-N 3.47Å; A410-F431 HydrophobicContact CB-CD1 4.18Å; A410-F431 HydrophobicContact CB-CE1 4.41Å; A410-N432 PolarHBondContact O-N 3.25Å
411	I	98.6	Very high	96.4	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.026	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	129.2	172.7	-57.6	164.3	0	0	0	107.1	R392 F393 I394 Y395 N432 L434 L472	R392-I411 VanDerWaalsContact NH2-CG1 3.33Å; F393-I411 PolarHBondContact O-N 3.06Å; I394-I411 VanDerWaalsContact CA-O 3.3Å; I394-I411 WeakPolarHBondContact CA-O 3.33Å; I394-I411 HydrophobicContact CB-CB 4.34Å; I394-I411 HydrophobicContact CD1-CD1 4.45Å; I394-I411 HydrophobicContact CG1-CB 3.87Å; I394-I411 HydrophobicContact CG1-CD1 3.77Å; I394-I411 HydrophobicContact CG1-CG1 4.38Å; I394-I411 HydrophobicContact CG1-CG2 4.22Å; I394-I411 HydrophobicContact CG2-CB 4.24Å; I394-I411 HydrophobicContact CG2-CG2 4.09Å; Y395-I411 PolarHBondContact N-O 3.15Å; I411-N432 CarbonylContact C-O 3.6Å; I411-N432 WeakPolarHBondContact CA-O 3.39Å; I411-N432 HydrophobicContact CB-CB 4.45Å; I411-N432 HydrophobicContact CG1-CB 3.98Å; I411-N432 HydrophobicContact CG2-CB 4.47Å; I411-L434 HydrophobicContact CG2-CD1 3.67Å; I411-L434 HydrophobicContact CG2-CG 3.67Å; I411-L472 HydrophobicContact CD1-CD1 3.94Å; I411-L472 HydrophobicContact CG1-CD1 4.03Å; I411-L472 HydrophobicContact CG2-CD1 4.33Å
412	V	98.7	Very high	96.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.3	178.1	-173.9	0	0	0	0	109.2	Q397 F400 L406 I426 F431 N432 A433 L434	Q397-V412 HydrophobicContact CB-CG1 4.28Å; F400-V412 HydrophobicContact CB-CG1 3.91Å; F400-V412 HydrophobicContact CB-CG2 4.11Å; F400-V412 HydrophobicContact CD2-CG2 4.48Å; F400-V412 HydrophobicContact CG-CG1 4.5Å; F400-V412 HydrophobicContact CG-CG2 4.44Å; L406-V412 HydrophobicContact CD1-CG2 3.79Å; V412-I426 HydrophobicContact CB-CD1 3.98Å; V412-I426 HydrophobicContact CB-CG1 4.34Å; V412-I426 HydrophobicContact CB-CG2 3.92Å; V412-I426 HydrophobicContact CG1-CD1 3.56Å; V412-I426 HydrophobicContact CG1-CG1 4.15Å; V412-I426 HydrophobicContact CG2-CG2 4.14Å; V412-F431 HydrophobicContact CG2-CB 4.36Å; V412-N432 PolarHBondContact N-O 2.88Å; V412-A433 CarbonylContact O-C 3.58Å; V412-A433 VanDerWaalsContact O-CA 3.3Å; V412-A433 WeakPolarHBondContact O-CA 3.42Å; V412-L434 PolarHBondContact O-N 2.98Å
413	Q	98.9	Very high	96.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	114.1	-179.2	-168.6	165.8	-31.4	0	0	110.7	H340 I394 Y395 W396 Q397 L434	H340-Q413 PolarHBondContact NE2-OE1 3.17Å; I394-Q413 HydrophobicContact CG2-CB 4.13Å; Y395-Q413 PolarHBondContact O-N 2.79Å; W396-Q413 HydrophobicContact CE3-CB 3.9Å; W396-Q413 HydrophobicContact CE3-CG 3.83Å; W396-Q413 HydrophobicContact CH2-CG 4.29Å; W396-Q413 HydrophobicContact CZ3-CB 4.08Å; W396-Q413 VanDerWaalsContact CZ3-CD 3.44Å; W396-Q413 HydrophobicContact CZ3-CG 3.48Å; W396-Q413 VanDerWaalsContact CZ3-CG 3.48Å; Q397-Q413 PolarHBondContact N-O 3.23Å; Q397-Q413 VanDerWaalsContact N-O 3.11Å; Q413-L434 WeakPolarHBondContact CA-O 3.36Å; Q413-L434 HydrophobicContact CB-CB 4.19Å; Q413-L434 HydrophobicContact CG-CB 3.93Å
414	V	98.8	Very high	96.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	113.9	-175.9	-179.8	0	0	0	0	110.2	H419 A422 L423 I426 L434 L435 S436 S437	V414-H419 HydrophobicContact CG1-CB 3.68Å; V414-A422 HydrophobicContact CG1-CB 3.71Å; V414-A422 HydrophobicContact CG2-CB 4.15Å; V414-L423 HydrophobicContact CG2-CD2 3.98Å; V414-L423 HydrophobicContact CG2-CG 4.32Å; V414-I426 HydrophobicContact CG2-CD1 3.34Å; V414-L434 PolarHBondContact N-O 3.49Å; V414-L435 HydrophobicContact CB-CD1 4.47Å; V414-L435 HydrophobicContact CG1-CD1 4.46Å; V414-S436 PolarHBondContact O-N 3Å; V414-S436 PolarHBondContact O-OG 3.36Å; V414-S437 PolarHBondContact O-N 3Å
415	W	98.4	Very high	96.8	Very high	35 Å²	35	50.8 Å²	50.8	13%	0.133	26%	0.264	C	S	.	.			trans	-123.8	-21.5	-172.7	78.6	-95.7	0	0	0	114.2	E345 W396 E398 S436 S437 Y440	E345-W415 HydrophobicContact CG-CH2 4.32Å; E345-W415 HydrophobicContact CG-CZ2 4.02Å; E345-W415 WeakPolarHBondContact OE1-CH2 3.19Å; W396-W415 HydrophobicContact CE3-CB 3.82Å; W396-W415 AromaticContact CE3-CD1 3.6Å; W396-W415 AromaticContact CE3-CG 3.93Å; W396-W415 HydrophobicContact CE3-CG 3.93Å; W396-W415 HydrophobicContact CZ3-CB 3.75Å; W396-W415 HydrophobicContact CZ3-CG 4.28Å; E398-W415 VanDerWaalsContact OE1-CZ2 3.24Å; E398-W415 WeakPolarHBondContact OE1-CZ2 3.38Å; E398-W415 PolarHBondContact OE1-NE1 3.11Å; E398-W415 PolarHBondContact OE2-NE1 2.8Å; W415-S436 WeakPolarHBondContact CB-OG 3.3Å; W415-S437 VanDerWaalsContact C-CB 3.49Å; W415-S437 WeakPolarHBondContact O-CA 3.38Å; W415-S437 VanDerWaalsContact O-CB 3.28Å; W415-S437 WeakPolarHBondContact O-CB 3.37Å; W415-Y440 HydrophobicContact CB-CE1 4.05Å; W415-Y440 WeakPolarHBondContact CB-OH 3.45Å; W415-Y440 AromaticContact CE3-CE2 3.9Å; W415-Y440 HydrophobicContact CE3-CE2 3.9Å; W415-Y440 AromaticContact CE3-CZ 3.63Å; W415-Y440 HydrophobicContact CZ3-CE2 4.27Å
416	K	97	Very high	96.9	Very high	77 Å²	77	46.6 Å²	46.6	34%	0.335	24%	0.238	S	C	.	.	S	Bend	trans	-80.4	161.9	177.3	-60.5	-176	177.6	175.7	0	111.3	Q397 E398 S437	Q397-K416 HydrophobicContact CG-CD 4.37Å; Q397-K416 HydrophobicContact CG-CG 4.32Å; E398-K416 VanDerWaalsContact CD-CE 3.49Å; E398-K416 WeakPolarHBondContact OE1-CE 3.49Å; E398-K416 IonicContact OE1-NZ 3.68Å; E398-K416 PolarHBondContact OE1-NZ 2.97Å; E398-K416 IonicContact OE2-NZ 2.65Å; K416-S437 WeakPolarHBondContact O-CB 3.44Å
417	N	94.1	Very high	97	Very high	155 Å²	155	45.9 Å²	45.9	83%	0.829	24%	0.235	S	C	*	.	S	Bend	trans	-57.6	155.9	168.7	-68.7	-39.4	0	0	0	111.3
418	G	95.2	Very high	97.1	Very high	40 Å²	40	52.5 Å²	52.5	41%	0.412	26%	0.262	S	S	.	.			trans	79.2	34.8	-173.8	0	0	0	0	0	113	K420 E421 A422	G418-K420 VanDerWaalsContact C-N 3.26Å; G418-K420 PolarHBondContact O-N 2.65Å; G418-E421 VanDerWaalsContact C-OE2 3.31Å; G418-E421 WeakPolarHBondContact CA-OE2 3.5Å; G418-E421 PolarHBondContact O-N 3.03Å; G418-E421 VanDerWaalsContact O-OE2 3.14Å; G418-A422 PolarHBondContact O-N 2.79Å
419	H	96.4	Very high	97.4	Very high	40 Å²	40	49.3 Å²	49.3	19%	0.185	25%	0.246	C	C	.	.	H	α-helix	trans	-65.5	-26	-173.9	59.2	-102.5	0	0	0	114.1	V414 A422 L423 L435 S437	V414-H419 HydrophobicContact CG1-CB 3.68Å; H419-A422 PolarHBondContact O-N 3.29Å; H419-L423 VanDerWaalsContact O-CB 3.27Å; H419-L423 WeakPolarHBondContact O-CB 3.29Å; H419-L423 WeakPolarHBondContact O-CD1 3.11Å; H419-L423 WeakPolarHBondContact O-CG 3.21Å; H419-L423 PolarHBondContact O-N 2.98Å; H419-L435 HydrophobicContact CB-CD1 3.62Å; H419-S437 WeakPolarHBondContact CB-OG 3.28Å; H419-S437 VanDerWaalsContact CG-OG 3.26Å; H419-S437 PolarHBondContact ND1-OG 2.65Å
420	K	97.5	Very high	97.5	Very high	77 Å²	77	48.5 Å²	48.5	34%	0.335	25%	0.252	S	S	.	.	H	α-helix	trans	-65.7	-46.9	179.5	-64.3	-171.2	175.7	-151.6	0	110.7	G418 E424 D460 F461	G418-K420 VanDerWaalsContact C-N 3.26Å; G418-K420 PolarHBondContact O-N 2.65Å; K420-E424 WeakPolarHBondContact O-CB 3.49Å; K420-E424 PolarHBondContact O-N 3.12Å; K420-D460 VanDerWaalsContact CD-O 3.23Å; K420-D460 WeakPolarHBondContact CD-O 3.33Å; K420-D460 WeakPolarHBondContact CE-O 3.47Å; K420-D460 PolarHBondContact NZ-O 3.11Å; K420-D460 IonicContact NZ-OD1 3.33Å; K420-D460 IonicContact NZ-OD2 3.38Å; K420-D460 PolarHBondContact NZ-OD2 3.28Å; K420-F461 HydrophobicContact CB-CB 3.99Å; K420-F461 HydrophobicContact CG-CB 4.35Å
421	E	97.4	Very high	97.6	Very high	126 Å²	126	49.9 Å²	49.9	59%	0.589	26%	0.258	S	S	*	.	H	α-helix	trans	-66.1	-40.5	177.1	-62.4	77.3	-171.4	0	0	111.3	G418 E424 K425	G418-E421 VanDerWaalsContact C-OE2 3.31Å; G418-E421 WeakPolarHBondContact CA-OE2 3.5Å; G418-E421 PolarHBondContact O-N 3.03Å; G418-E421 VanDerWaalsContact O-OE2 3.14Å; E421-E424 PolarHBondContact O-N 3.46Å; E421-K425 WeakPolarHBondContact O-CB 3.18Å; E421-K425 PolarHBondContact O-N 3.11Å
422	A	97.9	Very high	97.5	Very high	12 Å²	12	51 Å²	51	10%	0.099	27%	0.265	C	S	.	.	H	α-helix	trans	-63.8	-48.1	176.3	0	0	0	0	0	111.9	V414 G418 H419 E424 K425 I426	V414-A422 HydrophobicContact CG1-CB 3.71Å; V414-A422 HydrophobicContact CG2-CB 4.15Å; G418-A422 PolarHBondContact O-N 2.79Å; H419-A422 PolarHBondContact O-N 3.29Å; A422-E424 PolarHBondContact O-N 3.41Å; A422-K425 PolarHBondContact O-N 3.05Å; A422-I426 WeakPolarHBondContact O-CB 3.19Å; A422-I426 WeakPolarHBondContact O-CD1 3.43Å; A422-I426 VanDerWaalsContact O-CG1 3.24Å; A422-I426 WeakPolarHBondContact O-CG1 3.49Å; A422-I426 PolarHBondContact O-N 3.05Å
423	L	98.3	Very high	97.5	Very high	1 Å²	1	51 Å²	51	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-60.3	-43.1	176.6	-72.8	169.6	0	0	0	111.5	V414 H419 T427 A433 L435 F461 V471	V414-L423 HydrophobicContact CG2-CD2 3.98Å; V414-L423 HydrophobicContact CG2-CG 4.32Å; H419-L423 VanDerWaalsContact O-CB 3.27Å; H419-L423 WeakPolarHBondContact O-CB 3.29Å; H419-L423 WeakPolarHBondContact O-CD1 3.11Å; H419-L423 WeakPolarHBondContact O-CG 3.21Å; H419-L423 PolarHBondContact O-N 2.98Å; L423-T427 WeakPolarHBondContact O-CB 3.48Å; L423-T427 VanDerWaalsContact O-CG2 3.27Å; L423-T427 WeakPolarHBondContact O-CG2 3.37Å; L423-T427 PolarHBondContact O-N 3.33Å; L423-T427 PolarHBondContact O-OG1 2.85Å; L423-A433 HydrophobicContact CD2-CB 3.64Å; L423-L435 HydrophobicContact CD1-CD1 4.3Å; L423-F461 HydrophobicContact CB-CD1 4.1Å; L423-F461 HydrophobicContact CB-CD2 4.38Å; L423-F461 HydrophobicContact CB-CE1 4.06Å; L423-F461 HydrophobicContact CB-CE2 4.31Å; L423-F461 HydrophobicContact CB-CG 4.28Å; L423-F461 HydrophobicContact CB-CZ 4.17Å; L423-F461 HydrophobicContact CD1-CD1 4.12Å; L423-F461 HydrophobicContact CD1-CE1 4.27Å; L423-V471 HydrophobicContact CD2-CG2 4.39Å
424	E	98	Very high	97.5	Very high	73 Å²	73	51 Å²	51	34%	0.341	27%	0.265	S	S	.	.	H	α-helix	trans	-58.9	-49.3	174.6	-172.3	-172.7	159.1	0	0	111.1	K420 E421 A422 T427 K428 F461	K420-E424 WeakPolarHBondContact O-CB 3.49Å; K420-E424 PolarHBondContact O-N 3.12Å; E421-E424 PolarHBondContact O-N 3.46Å; A422-E424 PolarHBondContact O-N 3.41Å; E424-T427 PolarHBondContact O-OG1 2.98Å; E424-K428 WeakPolarHBondContact O-CB 3.41Å; E424-K428 PolarHBondContact O-N 3.45Å; E424-F461 HydrophobicContact CB-CD2 4.04Å
425	K	97.6	Very high	97.5	Very high	84 Å²	84	51 Å²	51	37%	0.365	27%	0.265	S	S	.	.	H	α-helix	trans	-62.2	-46.4	-179.1	-174.2	-172.3	164.8	-160.4	0	111.8	F400 D401 E421 A422 N429	F400-K425 HydrophobicContact CE1-CB 4.45Å; F400-K425 HydrophobicContact CE1-CD 3.76Å; F400-K425 HydrophobicContact CE1-CG 3.78Å; F400-K425 HydrophobicContact CZ-CD 4.44Å; F400-K425 HydrophobicContact CZ-CG 4.06Å; D401-K425 IonicContact OD1-NZ 3.87Å; D401-K425 PolarHBondContact OD1-NZ 3.37Å; E421-K425 WeakPolarHBondContact O-CB 3.18Å; E421-K425 PolarHBondContact O-N 3.11Å; A422-K425 PolarHBondContact O-N 3.05Å; K425-N429 PolarHBondContact O-N 3.38Å; K425-N429 PolarHBondContact O-ND2 2.85Å
426	I	98.1	Very high	97.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.5	-52	-178.2	-70.2	160.7	0	0	0	110.6	F400 V412 V414 A422 K428 N429 G430 F431 A433	F400-I426 HydrophobicContact CD1-CD1 4.42Å; F400-I426 HydrophobicContact CD1-CG1 3.61Å; F400-I426 HydrophobicContact CE1-CB 4.43Å; F400-I426 HydrophobicContact CE1-CG1 3.52Å; F400-I426 HydrophobicContact CG-CG1 4.16Å; F400-I426 HydrophobicContact CZ-CG1 4.03Å; V412-I426 HydrophobicContact CB-CD1 3.98Å; V412-I426 HydrophobicContact CB-CG1 4.34Å; V412-I426 HydrophobicContact CB-CG2 3.92Å; V412-I426 HydrophobicContact CG1-CD1 3.56Å; V412-I426 HydrophobicContact CG1-CG1 4.15Å; V412-I426 HydrophobicContact CG2-CG2 4.14Å; V414-I426 HydrophobicContact CG2-CD1 3.34Å; A422-I426 WeakPolarHBondContact O-CB 3.19Å; A422-I426 WeakPolarHBondContact O-CD1 3.43Å; A422-I426 VanDerWaalsContact O-CG1 3.24Å; A422-I426 WeakPolarHBondContact O-CG1 3.49Å; A422-I426 PolarHBondContact O-N 3.05Å; I426-K428 VanDerWaalsContact C-N 3.33Å; I426-K428 PolarHBondContact O-N 3.39Å; I426-N429 PolarHBondContact O-N 3.12Å; I426-G430 PolarHBondContact O-N 3.11Å; I426-F431 HydrophobicContact CG2-CB 3.83Å; I426-F431 PolarHBondContact O-N 3.48Å; I426-A433 HydrophobicContact CG2-CB 3.97Å
427	T	98.1	Very high	97.6	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.018	25%	0.247	C	C	.	.	H	α-helix	trans	-67.7	-32.8	-177.8	58.3	0	0	0	0	112.1	L423 E424 N429 G430 A433 F461 Q467 L470 V471	L423-T427 WeakPolarHBondContact O-CB 3.48Å; L423-T427 VanDerWaalsContact O-CG2 3.27Å; L423-T427 WeakPolarHBondContact O-CG2 3.37Å; L423-T427 PolarHBondContact O-N 3.33Å; L423-T427 PolarHBondContact O-OG1 2.85Å; E424-T427 PolarHBondContact O-OG1 2.98Å; T427-N429 PolarHBondContact O-N 3.23Å; T427-G430 PolarHBondContact O-N 3.03Å; T427-A433 HydrophobicContact CG2-CB 4.24Å; T427-F461 HydrophobicContact CG2-CZ 4.4Å; T427-Q467 WeakPolarHBondContact CB-O 3.43Å; T427-Q467 WeakPolarHBondContact CG2-O 3.38Å; T427-L470 HydrophobicContact CG2-CB 3.9Å; T427-L470 WeakPolarHBondContact O-CD1 3.37Å; T427-V471 HydrophobicContact CG2-CG2 4.03Å
428	K	97.4	Very high	97.7	Very high	149 Å²	149	40.3 Å²	40.3	65%	0.648	22%	0.216	S	C	*	.	H	α-helix	trans	-61.8	-29.1	171.2	-173.2	174.9	-177.6	175.3	0	113.4	E424 I426 G430 Q467	E424-K428 WeakPolarHBondContact O-CB 3.41Å; E424-K428 PolarHBondContact O-N 3.45Å; I426-K428 VanDerWaalsContact C-N 3.33Å; I426-K428 PolarHBondContact O-N 3.39Å; K428-G430 VanDerWaalsContact C-N 3.26Å; K428-Q467 VanDerWaalsContact CA-NE2 3.31Å
429	N	96.8	Very high	97.8	Very high	98 Å²	98	38.4 Å²	38.4	52%	0.524	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	3.9	174	-76.6	-86.9	0	0	0	113	F400 K425 I426 T427 F431	F400-N429 HydrophobicContact CE2-CB 4.09Å; F400-N429 HydrophobicContact CZ-CB 4.23Å; K425-N429 PolarHBondContact O-N 3.38Å; K425-N429 PolarHBondContact O-ND2 2.85Å; I426-N429 PolarHBondContact O-N 3.12Å; T427-N429 PolarHBondContact O-N 3.23Å; N429-F431 HydrophobicContact CB-CD2 3.79Å; N429-F431 HydrophobicContact CB-CE2 3.95Å
430	G	97.1	Very high	97.9	Very high	44 Å²	44	37.2 Å²	37.2	45%	0.454	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	8.3	175.6	0	0	0	0	0	114.9	I426 T427 K428	I426-G430 PolarHBondContact O-N 3.11Å; T427-G430 PolarHBondContact O-N 3.03Å; K428-G430 VanDerWaalsContact C-N 3.26Å
431	F	98.3	Very high	97.9	Very high	28 Å²	28	33.6 Å²	33.6	12%	0.123	18%	0.175	C	C	.	.			trans	-85.7	148.4	177.8	-65	-68.8	0	0	0	111.8	F400 L406 A410 V412 I426 N429	F400-F431 HydrophobicContact CD2-CD2 4.02Å; F400-F431 HydrophobicContact CD2-CE2 4.1Å; F400-F431 AromaticContact CE2-CD2 3.68Å; F400-F431 HydrophobicContact CE2-CD2 3.68Å; F400-F431 AromaticContact CE2-CE2 3.8Å; F400-F431 HydrophobicContact CE2-CE2 3.8Å; L406-F431 HydrophobicContact CB-CE1 3.82Å; L406-F431 HydrophobicContact CB-CZ 3.96Å; L406-F431 HydrophobicContact CD1-CE1 4.5Å; A410-F431 HydrophobicContact CB-CD1 4.18Å; A410-F431 HydrophobicContact CB-CE1 4.41Å; V412-F431 HydrophobicContact CG2-CB 4.36Å; I426-F431 HydrophobicContact CG2-CB 3.83Å; I426-F431 PolarHBondContact O-N 3.48Å; N429-F431 HydrophobicContact CB-CD2 3.79Å; N429-F431 HydrophobicContact CB-CE2 3.95Å
432	N	98.4	Very high	97.9	Very high	30 Å²	30	28.6 Å²	28.6	16%	0.16	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	145.1	169.5	-67.6	-74.9	0	0	0	109.9	R392 A410 I411 V412 L470 L472	R392-N432 PolarHBondContact NH2-ND2 3.01Å; A410-N432 PolarHBondContact O-N 3.25Å; I411-N432 CarbonylContact C-O 3.6Å; I411-N432 WeakPolarHBondContact CA-O 3.39Å; I411-N432 HydrophobicContact CB-CB 4.45Å; I411-N432 HydrophobicContact CG1-CB 3.98Å; I411-N432 HydrophobicContact CG2-CB 4.47Å; V412-N432 PolarHBondContact N-O 2.88Å; N432-L470 CarbonylContact C-O 3.58Å; N432-L470 VanDerWaalsContact CA-O 3.28Å; N432-L470 WeakPolarHBondContact CA-O 3.21Å; N432-L472 HydrophobicContact CB-CD1 3.77Å; N432-L472 HydrophobicContact CB-CG 4Å
433	A	98.6	Very high	97.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	148.4	-178.6	0	0	0	0	0	112.6	V412 L423 I426 T427 L470 V471 L472	V412-A433 CarbonylContact O-C 3.58Å; V412-A433 VanDerWaalsContact O-CA 3.3Å; V412-A433 WeakPolarHBondContact O-CA 3.42Å; L423-A433 HydrophobicContact CD2-CB 3.64Å; I426-A433 HydrophobicContact CG2-CB 3.97Å; T427-A433 HydrophobicContact CG2-CB 4.24Å; A433-L470 PolarHBondContact N-O 2.95Å; A433-V471 HydrophobicContact CB-CG2 4.47Å; A433-L472 PolarHBondContact O-N 3.09Å
434	L	98.8	Very high	97.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	143.4	167.6	-69.6	172.7	0	0	0	109.2	Y189 I394 I411 V412 Q413 V414 L472	Y189-L434 HydrophobicContact CD1-CD1 4.12Å; Y189-L434 HydrophobicContact CD1-CD2 3.52Å; Y189-L434 HydrophobicContact CD1-CG 4.48Å; Y189-L434 HydrophobicContact CD2-CD1 4.12Å; Y189-L434 HydrophobicContact CD2-CD2 4.03Å; Y189-L434 HydrophobicContact CE1-CD1 3.89Å; Y189-L434 HydrophobicContact CE1-CD2 4.13Å; Y189-L434 HydrophobicContact CE2-CD1 3.85Å; Y189-L434 HydrophobicContact CG-CD1 4.25Å; Y189-L434 HydrophobicContact CG-CD2 3.47Å; Y189-L434 VanDerWaalsContact CG-CD2 3.47Å; I394-L434 HydrophobicContact CG2-CD1 4.17Å; I411-L434 HydrophobicContact CG2-CD1 3.67Å; I411-L434 HydrophobicContact CG2-CG 3.67Å; V412-L434 PolarHBondContact O-N 2.98Å; Q413-L434 WeakPolarHBondContact CA-O 3.36Å; Q413-L434 HydrophobicContact CB-CB 4.19Å; Q413-L434 HydrophobicContact CG-CB 3.93Å; V414-L434 PolarHBondContact N-O 3.49Å; L434-L472 HydrophobicContact CD2-CB 3.83Å
435	L	98.8	Very high	97.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.3	175.5	-178.8	62.1	0	0	0	111.3	V414 H419 L423 S437 W439 P458 G473 G474 T475	V414-L435 HydrophobicContact CB-CD1 4.47Å; V414-L435 HydrophobicContact CG1-CD1 4.46Å; H419-L435 HydrophobicContact CB-CD1 3.62Å; L423-L435 HydrophobicContact CD1-CD1 4.3Å; L435-S437 VanDerWaalsContact CD1-OG 3.24Å; L435-S437 WeakPolarHBondContact CD1-OG 3.37Å; L435-W439 HydrophobicContact CB-CZ3 4.4Å; L435-W439 HydrophobicContact CD2-CH2 4.45Å; L435-W439 HydrophobicContact CG-CZ3 4.42Å; L435-P458 HydrophobicContact CB-CB 4.35Å; L435-P458 HydrophobicContact CD2-CB 4.18Å; L435-P458 HydrophobicContact CD2-CG 4.15Å; L435-G473 PolarHBondContact N-O 3.46Å; L435-G473 VanDerWaalsContact N-O 3.08Å; L435-G474 CarbonylContact O-C 3.48Å; L435-G474 WeakPolarHBondContact O-CA 3.42Å; L435-T475 PolarHBondContact O-N 3.27Å
436	S	98.6	Very high	97.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.24	C	C	.	.			trans	-133.6	-15.9	166.4	61.8	0	0	0	0	114.1	V414 W415 C438 W439 Y440 T475	V414-S436 PolarHBondContact O-N 3Å; V414-S436 PolarHBondContact O-OG 3.36Å; W415-S436 WeakPolarHBondContact CB-OG 3.3Å; S436-C438 VanDerWaalsContact C-N 3.26Å; S436-C438 PolarHBondContact O-N 3.23Å; S436-W439 CarbonylContact O-C 3.47Å; S436-W439 WeakPolarHBondContact O-CA 3.49Å; S436-W439 PolarHBondContact O-N 2.77Å; S436-Y440 WeakPolarHBondContact O-CD1 3.34Å; S436-T475 WeakPolarHBondContact CA-O 3.34Å; S436-T475 WeakPolarHBondContact CB-O 3.49Å
437	S	97.6	Very high	96.8	Very high	13 Å²	13	51.6 Å²	51.6	9%	0.091	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-36.7	-170.3	64.4	0	0	0	0	116.5	V414 W415 K416 H419 L435	V414-S437 PolarHBondContact O-N 3Å; W415-S437 VanDerWaalsContact C-CB 3.49Å; W415-S437 WeakPolarHBondContact O-CA 3.38Å; W415-S437 VanDerWaalsContact O-CB 3.28Å; W415-S437 WeakPolarHBondContact O-CB 3.37Å; K416-S437 WeakPolarHBondContact O-CB 3.44Å; H419-S437 WeakPolarHBondContact CB-OG 3.28Å; H419-S437 VanDerWaalsContact CG-OG 3.26Å; H419-S437 PolarHBondContact ND1-OG 2.65Å; L435-S437 VanDerWaalsContact CD1-OG 3.24Å; L435-S437 WeakPolarHBondContact CD1-OG 3.37Å
438	C	96.6	Very high	96.4	Very high	29 Å²	29	53.2 Å²	53.2	20%	0.196	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	2.3	179.6	58.4	0	0	0	0	113.4	S436 F453 C456	S436-C438 VanDerWaalsContact C-N 3.26Å; S436-C438 PolarHBondContact O-N 3.23Å; C438-F453 WeakPolarHBondContact O-CD1 3.3Å; C438-C456 HydrophobicContact CB-CB 3.66Å; C438-C456 WeakPolarHBondContact CB-SG 3.48Å; C438-C456 WeakPolarHBondContact SG-CB 3.03Å; C438-C456 CovalentContact SG-SG 2.02Å; C438-C456 PolarHBondContact SG-SG 3.37Å
439	W	98.3	Very high	96.3	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	S	.	.			trans	-126.6	37	-173.5	-59	-38.1	0	0	0	112.4	L435 S436 L441 F453 C456 P458 V476 C477 V499 R502 L503	L435-W439 HydrophobicContact CB-CZ3 4.4Å; L435-W439 HydrophobicContact CD2-CH2 4.45Å; L435-W439 HydrophobicContact CG-CZ3 4.42Å; S436-W439 CarbonylContact O-C 3.47Å; S436-W439 WeakPolarHBondContact O-CA 3.49Å; S436-W439 PolarHBondContact O-N 2.77Å; W439-L441 HydrophobicContact CB-CD1 4.32Å; W439-L441 WeakPolarHBondContact O-CD1 3.28Å; W439-L441 PolarHBondContact O-N 3.08Å; W439-F453 PolarHBondContact NE1-O 3.34Å; W439-C456 HydrophobicContact CZ2-CB 4.27Å; W439-P458 HydrophobicContact CH2-CG 3.67Å; W439-P458 HydrophobicContact CZ3-CG 4.32Å; W439-V476 HydrophobicContact CB-CG2 4.5Å; W439-C477 PolarHBondContact O-N 3.3Å; W439-V499 HydrophobicContact CB-CG2 4.26Å; W439-V499 HydrophobicContact CD2-CB 4.34Å; W439-V499 HydrophobicContact CD2-CG1 3.4Å; W439-V499 HydrophobicContact CD2-CG2 4.02Å; W439-V499 HydrophobicContact CE3-CG1 3.6Å; W439-V499 HydrophobicContact CG-CB 4.41Å; W439-V499 HydrophobicContact CG-CG1 3.89Å; W439-V499 HydrophobicContact CG-CG2 3.64Å; W439-V499 HydrophobicContact CH2-CG1 4.01Å; W439-V499 HydrophobicContact CZ2-CG1 3.86Å; W439-V499 HydrophobicContact CZ3-CG1 3.89Å; W439-R502 HydrophobicContact CH2-CG 4.48Å; W439-R502 HydrophobicContact CZ2-CG 3.98Å; W439-L503 HydrophobicContact CH2-CD1 4.36Å; W439-L503 HydrophobicContact CH2-CD2 3.61Å; W439-L503 HydrophobicContact CH2-CG 3.97Å; W439-L503 HydrophobicContact CZ3-CD1 4.13Å; W439-L503 HydrophobicContact CZ3-CD2 3.92Å; W439-L503 HydrophobicContact CZ3-CG 4.24Å
440	Y	98.1	Very high	96.2	Very high	15 Å²	15	42.4 Å²	42.4	6%	0.059	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-81.1	88.4	168.5	-88.2	40.6	0	0	0	109.4	W415 S436 N442 Y443 C477 W479	W415-Y440 HydrophobicContact CB-CE1 4.05Å; W415-Y440 WeakPolarHBondContact CB-OH 3.45Å; W415-Y440 AromaticContact CE3-CE2 3.9Å; W415-Y440 HydrophobicContact CE3-CE2 3.9Å; W415-Y440 AromaticContact CE3-CZ 3.63Å; W415-Y440 HydrophobicContact CZ3-CE2 4.27Å; S436-Y440 WeakPolarHBondContact O-CD1 3.34Å; Y440-N442 VanDerWaalsContact C-N 3.29Å; Y440-N442 WeakPolarHBondContact CB-OD1 3.5Å; Y440-N442 PolarHBondContact O-N 3.15Å; Y440-Y443 HydrophobicContact CD2-CD2 4.34Å; Y440-Y443 AromaticContact CD2-CE2 3.67Å; Y440-Y443 HydrophobicContact CD2-CE2 3.67Å; Y440-Y443 AromaticContact CD2-CZ 3.95Å; Y440-Y443 HydrophobicContact CG-CE2 4.22Å; Y440-Y443 PolarHBondContact O-N 3.03Å; Y440-C477 HydrophobicContact CD1-CB 3.69Å; Y440-C477 HydrophobicContact CE1-CB 3.74Å; Y440-C477 HydrophobicContact CG-CB 4.29Å; Y440-W479 AromaticContact CD2-CD1 3.87Å; Y440-W479 AromaticContact CD2-NE1 3.79Å; Y440-W479 AromaticContact CE1-NE1 3.96Å; Y440-W479 AromaticContact CE2-CD1 3.66Å; Y440-W479 AromaticContact CE2-NE1 3.15Å; Y440-W479 AromaticContact CZ-NE1 3.22Å; Y440-W479 PolarHBondContact OH-NE1 3.32Å
441	L	98	Very high	96.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-10.8	-176.5	-89	61.2	0	0	0	112.5	W439 Y443 F453 V476 C477 M478 L492 R495 A496	W439-L441 HydrophobicContact CB-CD1 4.32Å; W439-L441 WeakPolarHBondContact O-CD1 3.28Å; W439-L441 PolarHBondContact O-N 3.08Å; L441-Y443 PolarHBondContact O-N 2.78Å; L441-F453 HydrophobicContact CD1-CD1 4.4Å; L441-F453 HydrophobicContact CD1-CD2 3.95Å; L441-F453 HydrophobicContact CD1-CE1 4.19Å; L441-F453 HydrophobicContact CD1-CE2 3.76Å; L441-F453 HydrophobicContact CD1-CG 4.3Å; L441-F453 HydrophobicContact CD1-CZ 3.87Å; L441-F453 HydrophobicContact CG-CD2 4.38Å; L441-F453 HydrophobicContact CG-CE2 3.89Å; L441-F453 HydrophobicContact CG-CZ 4.21Å; L441-V476 HydrophobicContact CB-CG1 4.39Å; L441-V476 HydrophobicContact CD1-CG1 4.05Å; L441-V476 HydrophobicContact CD2-CG1 3.71Å; L441-V476 HydrophobicContact CG-CG1 4.26Å; L441-C477 PolarHBondContact N-O 3.18Å; L441-M478 HydrophobicContact CB-CE 3.47Å; L441-M478 VanDerWaalsContact CB-CE 3.47Å; L441-M478 HydrophobicContact CD2-CE 4.46Å; L441-L492 HydrophobicContact CD2-CD1 3.95Å; L441-R495 HydrophobicContact CD2-CB 3.63Å; L441-R495 HydrophobicContact CG-CB 4.24Å; L441-R495 PolarHBondContact O-NH1 3.05Å; L441-R495 PolarHBondContact O-NH2 3.31Å; L441-A496 HydrophobicContact CD2-CB 4.05Å
442	N	97.2	Very high	96	Very high	22 Å²	22	46.3 Å²	46.3	12%	0.118	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.7	166.8	63.2	-50.3	0	0	0	111.6	Y440 I444 M478 W479	Y440-N442 VanDerWaalsContact C-N 3.29Å; Y440-N442 WeakPolarHBondContact CB-OD1 3.5Å; Y440-N442 PolarHBondContact O-N 3.15Å; N442-I444 PolarHBondContact O-N 2.85Å; N442-M478 HydrophobicContact CB-SD 4.41Å; N442-W479 HydrophobicContact CB-CB 4.08Å
443	Y	96.1	Very high	95.9	Very high	144 Å²	144	45.9 Å²	45.9	57%	0.565	23%	0.232	S	C	*	.	S	Bend	trans	-75.4	117.2	168.6	-56.2	-29.9	0	0	0	109.9	Y440 L441 R495	Y440-Y443 HydrophobicContact CD2-CD2 4.34Å; Y440-Y443 AromaticContact CD2-CE2 3.67Å; Y440-Y443 HydrophobicContact CD2-CE2 3.67Å; Y440-Y443 AromaticContact CD2-CZ 3.95Å; Y440-Y443 HydrophobicContact CG-CE2 4.22Å; Y440-Y443 PolarHBondContact O-N 3.03Å; L441-Y443 PolarHBondContact O-N 2.78Å; Y443-R495 PolarHBondContact O-NH1 3.39Å
444	I	94.9	Very high	95.8	Very high	96 Å²	96	45.9 Å²	45.9	49%	0.492	23%	0.232	S	C	.	.			trans	-108.9	138.3	178.1	64.2	174.6	0	0	0	109.9	N442 R491	N442-I444 PolarHBondContact O-N 2.85Å; I444-R491 HydrophobicContact CG2-CG 4.12Å
445	N	92.5	Very high	95.7	Very high	121 Å²	121	51.9 Å²	51.9	65%	0.647	26%	0.258	S	S	*	.			trans	-127	152.7	174.5	-68.1	-61.5	0	0	0	109.7	G447 D449	N445-G447 PolarHBondContact O-N 3.39Å; N445-D449 HydrophobicContact CB-CB 4.42Å
446	Y	92.9	Very high	95.6	Very high	242 Å²	242	52.6 Å²	52.6	95%	0.949	26%	0.263	S	S	*	.	S	Bend	trans	-69.2	129.7	173.9	175.4	-103.5	0	0	0	110.7
447	G	90.3	Very high	95.5	Very high	50 Å²	50	53.7 Å²	53.7	52%	0.515	27%	0.269	S	S	.	.	S	Bend	trans	104.3	-161.8	178.3	0	0	0	0	0	113	N445 D449	N445-G447 PolarHBondContact O-N 3.39Å; G447-D449 PolarHBondContact O-N 3.12Å
448	S	89.5	Confident	95.5	Very high	37 Å²	37	53 Å²	53	26%	0.259	26%	0.264	S	S	.	.			trans	-87.7	72.9	-178	-58.8	0	0	0	0	111.3	W450 H451 V536	S448-W450 PolarHBondContact O-N 2.92Å; S448-H451 PolarHBondContact O-N 3.11Å; S448-V536 PolarHBondContact OG-O 2.84Å
449	D	94.4	Very high	95.5	Very high	19 Å²	19	54 Å²	54	10%	0.102	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-24.2	176.6	65.3	-12.3	0	0	0	113.3	N445 G447 H451 D452 F453 R495	N445-D449 HydrophobicContact CB-CB 4.42Å; G447-D449 PolarHBondContact O-N 3.12Å; D449-H451 PolarHBondContact O-N 3.31Å; D449-D452 PolarHBondContact O-N 2Å; D449-F453 HydrophobicContact CB-CE2 4.35Å; D449-F453 HydrophobicContact CB-CZ 4.42Å; D449-R495 WeakPolarHBondContact OD1-CD 3.48Å; D449-R495 WeakPolarHBondContact OD2-CD 3.42Å; D449-R495 IonicContact OD2-CZ 3.89Å; D449-R495 IonicContact OD2-NE 3.82Å; D449-R495 IonicContact OD2-NH1 3.81Å; D449-R495 PolarHBondContact OD2-NH1 3.4Å
450	W	95.2	Very high	95.4	Very high	1 Å²	1	58.2 Å²	58.2	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-56.3	-25	179.5	78.8	-96.8	0	0	0	113.9	S448 D452 F453 Y454 V498 I512 A515 E516 L519 V536 N537	S448-W450 PolarHBondContact O-N 2.92Å; W450-D452 PolarHBondContact O-N 3.48Å; W450-F453 HydrophobicContact CB-CD2 4.48Å; W450-F453 PolarHBondContact O-N 3.19Å; W450-Y454 HydrophobicContact CE3-CG 4.37Å; W450-Y454 HydrophobicContact CZ3-CD1 4.21Å; W450-Y454 HydrophobicContact CZ3-CG 4.02Å; W450-Y454 WeakPolarHBondContact O-CB 3.28Å; W450-Y454 PolarHBondContact O-N 3.18Å; W450-V498 HydrophobicContact CB-CG1 4.08Å; W450-V498 HydrophobicContact CB-CG2 3.98Å; W450-V498 HydrophobicContact CD2-CG1 4.01Å; W450-V498 HydrophobicContact CE3-CB 4.09Å; W450-V498 HydrophobicContact CE3-CG1 3.5Å; W450-V498 VanDerWaalsContact CE3-CG1 3.5Å; W450-V498 HydrophobicContact CE3-CG2 4.39Å; W450-V498 HydrophobicContact CG-CG1 4.3Å; W450-V498 HydrophobicContact CZ3-CG1 4.21Å; W450-I512 HydrophobicContact CH2-CG2 3.95Å; W450-I512 HydrophobicContact CZ2-CG2 4.4Å; W450-A515 HydrophobicContact CH2-CB 3.98Å; W450-A515 HydrophobicContact CZ3-CB 4.13Å; W450-E516 HydrophobicContact CH2-CG 3.99Å; W450-E516 HydrophobicContact CZ2-CG 3.61Å; W450-L519 HydrophobicContact CD2-CD2 3.91Å; W450-L519 HydrophobicContact CE3-CD2 4.15Å; W450-L519 HydrophobicContact CG-CD2 4.35Å; W450-L519 HydrophobicContact CH2-CD2 4.43Å; W450-L519 HydrophobicContact CZ2-CD2 4.22Å; W450-L519 HydrophobicContact CZ3-CD2 4.4Å; W450-V536 HydrophobicContact CG-CG2 3.94Å; W450-N537 VanDerWaalsContact CE2-OD1 3.28Å; W450-N537 WeakPolarHBondContact CZ2-OD1 3.27Å; W450-N537 PolarHBondContact NE1-OD1 3.15Å
451	H	95.4	Very high	95.3	Very high	45 Å²	45	58 Å²	58	21%	0.208	29%	0.288	C	S	.	.	H	α-helix	trans	-57.3	-38.6	174.8	-68.4	164.7	0	0	0	112.5	S448 D449 K455 I512 E516	S448-H451 PolarHBondContact O-N 3.11Å; D449-H451 PolarHBondContact O-N 3.31Å; H451-K455 VanDerWaalsContact O-CG 3.26Å; H451-K455 WeakPolarHBondContact O-CG 3.37Å; H451-K455 PolarHBondContact O-N 2.82Å; H451-I512 HydrophobicContact CB-CD1 4.35Å; H451-I512 WeakPolarHBondContact NE2-CG2 3.39Å; H451-E516 IonicContact CE1-OE1 3.86Å; H451-E516 IonicContact NE2-OE1 3.95Å
452	D	94.9	Very high	95.2	Very high	108 Å²	108	64.7 Å²	64.7	58%	0.578	32%	0.324	S	S	*	.	H	α-helix	trans	-76.1	-38	-179.3	-66.8	-26	0	0	0	110.8	D449 W450 Y454 K455 C456	D449-D452 PolarHBondContact O-N 2Å; W450-D452 PolarHBondContact O-N 3.48Å; D452-Y454 VanDerWaalsContact C-N 3.32Å; D452-Y454 PolarHBondContact O-N 2.88Å; D452-K455 PolarHBondContact O-N 3.47Å; D452-K455 IonicContact OD1-NZ 3.68Å; D452-C456 PolarHBondContact O-N 2.93Å
453	F	97.1	Very high	95.1	Very high	21 Å²	21	64.8 Å²	64.8	9%	0.092	33%	0.327	C	S	.	.	H	α-helix	trans	-61.2	-40.5	173.1	-55.2	-28.7	0	0	0	111.9	C438 W439 L441 D449 W450 R495 V498 V499	C438-F453 WeakPolarHBondContact O-CD1 3.3Å; W439-F453 PolarHBondContact NE1-O 3.34Å; L441-F453 HydrophobicContact CD1-CD1 4.4Å; L441-F453 HydrophobicContact CD1-CD2 3.95Å; L441-F453 HydrophobicContact CD1-CE1 4.19Å; L441-F453 HydrophobicContact CD1-CE2 3.76Å; L441-F453 HydrophobicContact CD1-CG 4.3Å; L441-F453 HydrophobicContact CD1-CZ 3.87Å; L441-F453 HydrophobicContact CG-CD2 4.38Å; L441-F453 HydrophobicContact CG-CE2 3.89Å; L441-F453 HydrophobicContact CG-CZ 4.21Å; D449-F453 HydrophobicContact CB-CE2 4.35Å; D449-F453 HydrophobicContact CB-CZ 4.42Å; W450-F453 HydrophobicContact CB-CD2 4.48Å; W450-F453 PolarHBondContact O-N 3.19Å; F453-R495 HydrophobicContact CE2-CB 4.43Å; F453-V498 HydrophobicContact CB-CG2 3.67Å; F453-V498 HydrophobicContact CD2-CG2 4.49Å; F453-V499 HydrophobicContact CB-CG2 4.2Å
454	Y	97.4	Very high	95.2	Very high	1 Å²	1	61.2 Å²	61.2	0%	0.004	32%	0.321	C	S	.	.	H	α-helix	trans	-72.5	-30	-178.2	-169.7	-111.7	0	0	0	113.6	W38 W450 D452 V498 E501 R502 V509 I512 A515	W38-Y454 HydrophobicContact CH2-CE2 4.49Å; W450-Y454 HydrophobicContact CE3-CG 4.37Å; W450-Y454 HydrophobicContact CZ3-CD1 4.21Å; W450-Y454 HydrophobicContact CZ3-CG 4.02Å; W450-Y454 WeakPolarHBondContact O-CB 3.28Å; W450-Y454 PolarHBondContact O-N 3.18Å; D452-Y454 VanDerWaalsContact C-N 3.32Å; D452-Y454 PolarHBondContact O-N 2.88Å; Y454-V498 HydrophobicContact CD2-CB 3.91Å; Y454-V498 HydrophobicContact CG-CB 4.47Å; Y454-E501 HydrophobicContact CE2-CB 4.09Å; Y454-E501 HydrophobicContact CE2-CG 3.87Å; Y454-E501 WeakPolarHBondContact CE2-OE1 3.11Å; Y454-E501 VanDerWaalsContact CZ-OE1 3.26Å; Y454-E501 PolarHBondContact OH-OE1 2.9Å; Y454-R502 VanDerWaalsContact O-CZ 3.3Å; Y454-R502 PolarHBondContact O-NE 3.49Å; Y454-R502 PolarHBondContact O-NH2 3.25Å; Y454-V509 PolarHBondContact OH-O 2.9Å; Y454-I512 HydrophobicContact CD1-CG1 4.16Å; Y454-A515 HydrophobicContact CE1-CB 3.94Å; Y454-A515 HydrophobicContact CE2-CB 4.39Å
455	K	96	Very high	95.2	Very high	126 Å²	126	62.2 Å²	62.2	55%	0.548	33%	0.326	S	S	.	.	H	α-helix	trans	-76.1	-25.4	176.5	-74.3	171.2	-166.6	165.8	0	113.5	H451 D452 D457 I512	H451-K455 VanDerWaalsContact O-CG 3.26Å; H451-K455 WeakPolarHBondContact O-CG 3.37Å; H451-K455 PolarHBondContact O-N 2.82Å; D452-K455 PolarHBondContact O-N 3.47Å; D452-K455 IonicContact OD1-NZ 3.68Å; K455-D457 PolarHBondContact O-N 3.2Å; K455-I512 HydrophobicContact CD-CD1 4.47Å; K455-I512 VanDerWaalsContact CE-CD1 3.41Å; K455-I512 HydrophobicContact CG-CD1 4.32Å
456	C	96.9	Very high	95.4	Very high	14 Å²	14	62.2 Å²	62.2	10%	0.095	32%	0.322	C	S	.	.			trans	-65.7	130.3	180	-170.4	0	0	0	0	110.6	C438 W439 D452 R502	C438-C456 HydrophobicContact CB-CB 3.66Å; C438-C456 WeakPolarHBondContact CB-SG 3.48Å; C438-C456 WeakPolarHBondContact SG-CB 3.03Å; C438-C456 CovalentContact SG-SG 2.02Å; C438-C456 PolarHBondContact SG-SG 3.37Å; W439-C456 HydrophobicContact CZ2-CB 4.27Å; D452-C456 PolarHBondContact O-N 2.93Å; C456-R502 WeakPolarHBondContact O-CD 3.33Å; C456-R502 WeakPolarHBondContact O-CG 3.37Å; C456-R502 PolarHBondContact O-NE 3.39Å
457	D	97	Very high	95.6	Very high	23 Å²	23	52.4 Å²	52.4	12%	0.123	29%	0.285	C	S	.	.			trans	-129.4	124.4	178.8	-170	-51.9	0	0	0	110.4	R186 K455 Q459 D460 R502	R186-D457 IonicContact CZ-OD1 3.53Å; R186-D457 IonicContact CZ-OD2 3.14Å; R186-D457 IonicContact NH1-OD1 3.01Å; R186-D457 PolarHBondContact NH1-OD1 3Å; R186-D457 IonicContact NH1-OD2 3.89Å; R186-D457 PolarHBondContact NH1-OD2 3.49Å; R186-D457 IonicContact NH2-OD1 3.36Å; R186-D457 PolarHBondContact NH2-OD1 2.83Å; R186-D457 IonicContact NH2-OD2 3.95Å; R186-D457 PolarHBondContact NH2-OD2 3.26Å; K455-D457 PolarHBondContact O-N 3.2Å; D457-Q459 PolarHBondContact O-N 3.3Å; D457-Q459 PolarHBondContact OD1-N 3.16Å; D457-D460 HydrophobicContact CB-CB 3.93Å; D457-D460 PolarHBondContact O-N 3Å; D457-D460 VanDerWaalsContact O-N 3.11Å; D457-R502 IonicContact OD2-NH1 2.75Å
458	P	97.2	Very high	96	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-20	-178.9	-24.6	33	0	0	0	115.4	F187 L435 W439 F461 V471 L503	F187-P458 HydrophobicContact CE1-CB 4.18Å; F187-P458 HydrophobicContact CE2-CB 4.49Å; F187-P458 HydrophobicContact CE2-CG 4.11Å; F187-P458 HydrophobicContact CZ-CB 3.89Å; F187-P458 HydrophobicContact CZ-CG 4Å; L435-P458 HydrophobicContact CB-CB 4.35Å; L435-P458 HydrophobicContact CD2-CB 4.18Å; L435-P458 HydrophobicContact CD2-CG 4.15Å; W439-P458 HydrophobicContact CH2-CG 3.67Å; W439-P458 HydrophobicContact CZ3-CG 4.32Å; P458-F461 VanDerWaalsContact O-CE1 3.24Å; P458-F461 WeakPolarHBondContact O-CE1 3.33Å; P458-V471 HydrophobicContact CB-CG1 3.59Å; P458-L503 HydrophobicContact CG-CD2 3.79Å
459	Q	97.1	Very high	96.3	Very high	48 Å²	48	57 Å²	57	22%	0.224	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	9	-178.9	-71.2	175.6	-22.5	0	0	113.7	F187 D457 F461 K468 V471	F187-Q459 HydrophobicContact CE1-CG 3.87Å; F187-Q459 HydrophobicContact CZ-CG 3.83Å; D457-Q459 PolarHBondContact O-N 3.3Å; D457-Q459 PolarHBondContact OD1-N 3.16Å; Q459-F461 PolarHBondContact O-N 3.14Å; Q459-K468 HydrophobicContact CB-CD 4.34Å; Q459-K468 HydrophobicContact CG-CB 4.16Å; Q459-K468 PolarHBondContact NE2-O 3.31Å; Q459-K468 WeakPolarHBondContact O-CE 3.45Å; Q459-K468 PolarHBondContact O-NZ 3.09Å; Q459-V471 HydrophobicContact CG-CB 4.48Å
460	D	95.5	Very high	96.5	Very high	89 Å²	89	58 Å²	58	48%	0.476	29%	0.294	S	S	.	.			trans	-83.6	58.1	175.7	-177.8	30	0	0	0	112.7	K420 D457	K420-D460 VanDerWaalsContact CD-O 3.23Å; K420-D460 WeakPolarHBondContact CD-O 3.33Å; K420-D460 WeakPolarHBondContact CE-O 3.47Å; K420-D460 PolarHBondContact NZ-O 3.11Å; K420-D460 IonicContact NZ-OD1 3.33Å; K420-D460 IonicContact NZ-OD2 3.38Å; K420-D460 PolarHBondContact NZ-OD2 3.28Å; D457-D460 HydrophobicContact CB-CB 3.93Å; D457-D460 PolarHBondContact O-N 3Å; D457-D460 VanDerWaalsContact O-N 3.11Å
461	F	96.5	Very high	96.7	Very high	12 Å²	12	58.2 Å²	58.2	5%	0.053	30%	0.295	C	S	.	.	S	Bend	trans	-139.1	162.9	170.9	65.4	-79.8	0	0	0	110.5	K420 L423 E424 T427 P458 Q459 A463 K468 V471	K420-F461 HydrophobicContact CB-CB 3.99Å; K420-F461 HydrophobicContact CG-CB 4.35Å; L423-F461 HydrophobicContact CB-CD1 4.1Å; L423-F461 HydrophobicContact CB-CD2 4.38Å; L423-F461 HydrophobicContact CB-CE1 4.06Å; L423-F461 HydrophobicContact CB-CE2 4.31Å; L423-F461 HydrophobicContact CB-CG 4.28Å; L423-F461 HydrophobicContact CB-CZ 4.17Å; L423-F461 HydrophobicContact CD1-CD1 4.12Å; L423-F461 HydrophobicContact CD1-CE1 4.27Å; E424-F461 HydrophobicContact CB-CD2 4.04Å; T427-F461 HydrophobicContact CG2-CZ 4.4Å; P458-F461 VanDerWaalsContact O-CE1 3.24Å; P458-F461 WeakPolarHBondContact O-CE1 3.33Å; Q459-F461 PolarHBondContact O-N 3.14Å; F461-A463 HydrophobicContact CD2-CB 3.63Å; F461-A463 HydrophobicContact CE2-CB 3.28Å; F461-A463 HydrophobicContact CZ-CB 4.19Å; F461-A463 PolarHBondContact O-N 3.11Å; F461-K468 HydrophobicContact CE1-CG 4.37Å; F461-K468 HydrophobicContact CZ-CG 4.11Å; F461-K468 WeakPolarHBondContact O-CE 3.28Å; F461-K468 PolarHBondContact O-NZ 3.39Å; F461-V471 HydrophobicContact CE1-CG2 3.83Å; F461-V471 HydrophobicContact CZ-CG2 3.84Å
462	N	94.6	Very high	96.8	Very high	139 Å²	139	57.3 Å²	57.3	74%	0.743	29%	0.292	S	S	*	.	S	Bend	trans	-84.6	99	-175.1	-174.2	34.4	0	0	0	110.8
463	A	96	Very high	97	Very high	24 Å²	24	52.1 Å²	52.1	20%	0.198	26%	0.264	C	S	.	.			trans	-156.1	166.1	-178	0	0	0	0	0	111.6	F461 Q467 K468	F461-A463 HydrophobicContact CD2-CB 3.63Å; F461-A463 HydrophobicContact CE2-CB 3.28Å; F461-A463 HydrophobicContact CZ-CB 4.19Å; F461-A463 PolarHBondContact O-N 3.11Å; A463-Q467 HydrophobicContact CB-CB 3.8Å; A463-K468 HydrophobicContact CB-CG 4.36Å
464	T	97.3	Very high	97.1	Very high	69 Å²	69	51.1 Å²	51.1	42%	0.423	26%	0.26	S	S	.	.			trans	-67.7	165.8	173.9	79.7	0	0	0	0	111.6	E466 Q467 K468	T464-E466 VanDerWaalsContact C-N 3.29Å; T464-E466 WeakPolarHBondContact CB-OE2 3.28Å; T464-E466 PolarHBondContact O-N 3.17Å; T464-E466 PolarHBondContact OG1-N 3.2Å; T464-E466 PolarHBondContact OG1-OE2 3.4Å; T464-Q467 PolarHBondContact O-N 3.14Å; T464-Q467 PolarHBondContact OG1-N 3.13Å; T464-K468 WeakPolarHBondContact O-CG 3.4Å; T464-K468 PolarHBondContact O-N 3.34Å
465	L	95.7	Very high	97.1	Very high	117 Å²	117	51.1 Å²	51.1	61%	0.613	26%	0.259	S	S	*	.	H	α-helix	trans	-61.6	-41.8	177.6	-176.3	61.4	0	0	0	111	Q467 K468 E469	L465-Q467 VanDerWaalsContact C-N 3.32Å; L465-Q467 PolarHBondContact O-N 3.01Å; L465-K468 WeakPolarHBondContact O-CB 3.35Å; L465-K468 PolarHBondContact O-N 2.97Å; L465-E469 WeakPolarHBondContact O-CG 3.15Å; L465-E469 PolarHBondContact O-N 3.28Å
466	E	96.6	Very high	97.3	Very high	121 Å²	121	45.1 Å²	45.1	57%	0.565	23%	0.233	S	C	*	.	H	α-helix	trans	-62.8	-38.5	178.7	-55.4	77.6	-170.1	0	0	111.6	T464 E469	T464-E466 VanDerWaalsContact C-N 3.29Å; T464-E466 WeakPolarHBondContact CB-OE2 3.28Å; T464-E466 PolarHBondContact O-N 3.17Å; T464-E466 PolarHBondContact OG1-N 3.2Å; T464-E466 PolarHBondContact OG1-OE2 3.4Å; E466-E469 PolarHBondContact O-N 3.11Å
467	Q	97.5	Very high	97.4	Very high	36 Å²	36	44.4 Å²	44.4	17%	0.168	23%	0.229	C	C	.	.	H	α-helix	trans	-66.3	-38.1	173.4	-71.1	-179.8	-73.8	0	0	111.8	T427 K428 A463 T464 L465 E469 L470	T427-Q467 WeakPolarHBondContact CB-O 3.43Å; T427-Q467 WeakPolarHBondContact CG2-O 3.38Å; K428-Q467 VanDerWaalsContact CA-NE2 3.31Å; A463-Q467 HydrophobicContact CB-CB 3.8Å; T464-Q467 PolarHBondContact O-N 3.14Å; T464-Q467 PolarHBondContact OG1-N 3.13Å; L465-Q467 VanDerWaalsContact C-N 3.32Å; L465-Q467 PolarHBondContact O-N 3.01Å; Q467-E469 VanDerWaalsContact C-N 3.3Å; Q467-E469 PolarHBondContact O-N 3.04Å; Q467-L470 WeakPolarHBondContact O-CB 3.14Å; Q467-L470 PolarHBondContact O-N 2.99Å
468	K	97.7	Very high	97.4	Very high	52 Å²	52	43.4 Å²	43.4	23%	0.226	22%	0.223	C	C	.	.	H	α-helix	trans	-69.3	-27.4	177.6	-70.1	-178.2	-177.4	-147.9	0	112.9	Q459 F461 A463 T464 L465 L470 V471	Q459-K468 HydrophobicContact CB-CD 4.34Å; Q459-K468 HydrophobicContact CG-CB 4.16Å; Q459-K468 PolarHBondContact NE2-O 3.31Å; Q459-K468 WeakPolarHBondContact O-CE 3.45Å; Q459-K468 PolarHBondContact O-NZ 3.09Å; F461-K468 HydrophobicContact CE1-CG 4.37Å; F461-K468 HydrophobicContact CZ-CG 4.11Å; F461-K468 WeakPolarHBondContact O-CE 3.28Å; F461-K468 PolarHBondContact O-NZ 3.39Å; A463-K468 HydrophobicContact CB-CG 4.36Å; T464-K468 WeakPolarHBondContact O-CG 3.4Å; T464-K468 PolarHBondContact O-N 3.34Å; L465-K468 WeakPolarHBondContact O-CB 3.35Å; L465-K468 PolarHBondContact O-N 2.97Å; K468-L470 VanDerWaalsContact C-N 3.27Å; K468-L470 PolarHBondContact O-N 3.43Å; K468-V471 WeakPolarHBondContact O-CB 3.43Å; K468-V471 PolarHBondContact O-N 3.26Å
469	E	97.3	Very high	97.5	Very high	131 Å²	131	44.1 Å²	44.1	61%	0.612	23%	0.226	S	C	*	.	H	α-helix	trans	-68.4	-23.8	173.8	-73	175.7	170.3	0	0	112.9	L465 E466 Q467 V471	L465-E469 WeakPolarHBondContact O-CG 3.15Å; L465-E469 PolarHBondContact O-N 3.28Å; E466-E469 PolarHBondContact O-N 3.11Å; Q467-E469 VanDerWaalsContact C-N 3.3Å; Q467-E469 PolarHBondContact O-N 3.04Å; E469-V471 PolarHBondContact O-N 3.44Å
470	L	98.1	Very high	97.6	Very high	42 Å²	42	41.9 Å²	41.9	22%	0.22	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-12.2	173	-66	173.9	0	0	0	113	T427 N432 A433 Q467 K468 L472	T427-L470 HydrophobicContact CG2-CB 3.9Å; T427-L470 WeakPolarHBondContact O-CD1 3.37Å; N432-L470 CarbonylContact C-O 3.58Å; N432-L470 VanDerWaalsContact CA-O 3.28Å; N432-L470 WeakPolarHBondContact CA-O 3.21Å; A433-L470 PolarHBondContact N-O 2.95Å; Q467-L470 WeakPolarHBondContact O-CB 3.14Å; Q467-L470 PolarHBondContact O-N 2.99Å; K468-L470 VanDerWaalsContact C-N 3.27Å; K468-L470 PolarHBondContact O-N 3.43Å; L470-L472 PolarHBondContact O-N 2.89Å
471	V	98.5	Very high	97.6	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.024	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	104.9	173.8	-175.5	0	0	0	0	109.1	F187 L423 T427 A433 P458 Q459 F461 K468 E469 G473	F187-V471 WeakPolarHBondContact CD1-O 3.28Å; F187-V471 HydrophobicContact CE1-CG1 4.31Å; L423-V471 HydrophobicContact CD2-CG2 4.39Å; T427-V471 HydrophobicContact CG2-CG2 4.03Å; A433-V471 HydrophobicContact CB-CG2 4.47Å; P458-V471 HydrophobicContact CB-CG1 3.59Å; Q459-V471 HydrophobicContact CG-CB 4.48Å; F461-V471 HydrophobicContact CE1-CG2 3.83Å; F461-V471 HydrophobicContact CZ-CG2 3.84Å; K468-V471 WeakPolarHBondContact O-CB 3.43Å; K468-V471 PolarHBondContact O-N 3.26Å; E469-V471 PolarHBondContact O-N 3.44Å; V471-G473 VanDerWaalsContact C-N 3.25Å; V471-G473 PolarHBondContact O-N 2.84Å
472	L	98.4	Very high	97.6	Very high	26 Å²	26	47.1 Å²	47.1	14%	0.136	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-12.7	-174.1	-59.6	-179.4	0	0	0	113.3	P188 Y189 I411 N432 A433 L434 L470	P188-L472 WeakPolarHBondContact CD-O 3.18Å; P188-L472 WeakPolarHBondContact CG-O 3.44Å; Y189-L472 WeakPolarHBondContact CB-O 3.35Å; Y189-L472 PolarHBondContact N-O 3.45Å; I411-L472 HydrophobicContact CD1-CD1 3.94Å; I411-L472 HydrophobicContact CG1-CD1 4.03Å; I411-L472 HydrophobicContact CG2-CD1 4.33Å; N432-L472 HydrophobicContact CB-CD1 3.77Å; N432-L472 HydrophobicContact CB-CG 4Å; A433-L472 PolarHBondContact O-N 3.09Å; L434-L472 HydrophobicContact CD2-CB 3.83Å; L470-L472 PolarHBondContact O-N 2.89Å
473	G	98.6	Very high	97.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	132	-131.5	-176.6	0	0	0	0	0	111.1	Y189 L435 V471	Y189-G473 WeakPolarHBondContact O-CA 3.09Å; L435-G473 PolarHBondContact N-O 3.46Å; L435-G473 VanDerWaalsContact N-O 3.08Å; V471-G473 VanDerWaalsContact C-N 3.25Å; V471-G473 PolarHBondContact O-N 2.84Å
474	G	98.7	Very high	97.9	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	-175.3	179.1	0	0	0	0	0	115.9	Y189 G191 L435	Y189-G474 PolarHBondContact O-N 3.42Å; Y189-G474 VanDerWaalsContact O-N 3.08Å; G191-G474 PolarHBondContact N-O 2.88Å; L435-G474 CarbonylContact O-C 3.48Å; L435-G474 WeakPolarHBondContact O-CA 3.42Å
475	T	98.9	Very high	97.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	127.9	-166.5	-55.3	0	0	0	0	110.3	Y189 G191 L193 H222 L435 S436	Y189-T475 WeakPolarHBondContact CE1-OG1 3.46Å; G191-T475 WeakPolarHBondContact O-CA 3.4Å; L193-T475 HydrophobicContact CB-CG2 3.93Å; H222-T475 HydrophobicContact CB-CG2 4.37Å; L435-T475 PolarHBondContact O-N 3.27Å; S436-T475 WeakPolarHBondContact CA-O 3.34Å; S436-T475 WeakPolarHBondContact CB-O 3.49Å
476	V	98.8	Very high	98	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	127.1	164.2	170.9	0	0	0	0	108.7	G191 I192 L193 F218 W439 L441 L492 A496 V499	G191-V476 PolarHBondContact O-N 3.33Å; I192-V476 WeakPolarHBondContact CA-O 3.04Å; I192-V476 HydrophobicContact CG1-CB 4.23Å; L193-V476 PolarHBondContact N-O 2.87Å; F218-V476 HydrophobicContact CE1-CG2 4.1Å; F218-V476 HydrophobicContact CZ-CG2 3.82Å; W439-V476 HydrophobicContact CB-CG2 4.5Å; L441-V476 HydrophobicContact CB-CG1 4.39Å; L441-V476 HydrophobicContact CD1-CG1 4.05Å; L441-V476 HydrophobicContact CD2-CG1 3.71Å; L441-V476 HydrophobicContact CG-CG1 4.26Å; V476-L492 HydrophobicContact CG1-CD1 3.86Å; V476-A496 HydrophobicContact CG1-CB 4.15Å; V476-A496 HydrophobicContact CG2-CB 4.31Å; V476-V499 HydrophobicContact CG2-CB 3.51Å; V476-V499 HydrophobicContact CG2-CG1 3.51Å; V476-V499 HydrophobicContact CG2-CG2 3.75Å
477	C	98.8	Very high	98.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	121.3	178.1	-69	0	0	0	0	111.6	W439 Y440 L441	W439-C477 PolarHBondContact O-N 3.3Å; Y440-C477 HydrophobicContact CD1-CB 3.69Å; Y440-C477 HydrophobicContact CE1-CB 3.74Å; Y440-C477 HydrophobicContact CG-CB 4.29Å; L441-C477 PolarHBondContact N-O 3.18Å
478	M	98.6	Very high	98.2	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	78.7	170.4	-170	61.8	68.4	0	0	109.8	L193 L194 D195 L441 N442 V483 L488 R491 L492	L193-M478 PolarHBondContact O-N 3.31Å; L193-M478 VanDerWaalsContact O-N 3.08Å; L194-M478 HydrophobicContact CD2-CB 4.2Å; D195-M478 PolarHBondContact N-O 3.3Å; L441-M478 HydrophobicContact CB-CE 3.47Å; L441-M478 VanDerWaalsContact CB-CE 3.47Å; L441-M478 HydrophobicContact CD2-CE 4.46Å; N442-M478 HydrophobicContact CB-SD 4.41Å; M478-V483 HydrophobicContact CG-CG1 4.12Å; M478-V483 HydrophobicContact CG-CG2 4.39Å; M478-V483 HydrophobicContact SD-CG1 4.41Å; M478-V483 HydrophobicContact SD-CG2 3.82Å; M478-L488 HydrophobicContact CG-CD1 3.73Å; M478-R491 HydrophobicContact CE-CG 4.06Å; M478-R491 HydrophobicContact SD-CG 4.27Å; M478-L492 HydrophobicContact CB-CD1 4.33Å; M478-L492 HydrophobicContact CE-CB 3.84Å; M478-L492 HydrophobicContact CE-CD1 3.51Å; M478-L492 HydrophobicContact CE-CG 4.25Å
479	W	98.5	Very high	98.2	Very high	14 Å²	14	33 Å²	33	5%	0.053	17%	0.171	C	C	.	.			trans	-64.5	147.9	174.2	-59.2	115.1	0	0	0	112.3	L193 D195 H224 W396 Y440 N442 E481	L193-W479 HydrophobicContact CD1-CH2 3.65Å; L193-W479 HydrophobicContact CD1-CZ2 3.88Å; L193-W479 HydrophobicContact CD1-CZ3 4.02Å; L193-W479 HydrophobicContact CD2-CD2 4.14Å; L193-W479 HydrophobicContact CD2-CE3 3.84Å; L193-W479 HydrophobicContact CD2-CH2 4.35Å; L193-W479 HydrophobicContact CD2-CZ3 3.96Å; D195-W479 HydrophobicContact CB-CE3 4.06Å; H224-W479 HydrophobicContact CB-CZ3 4.42Å; H224-W479 AromaticContact CE1-CZ3 3.82Å; H224-W479 AromaticContact CG-CZ3 3.8Å; H224-W479 AromaticContact ND1-CZ3 3.63Å; W396-W479 HydrophobicContact CH2-CH2 4.36Å; W396-W479 AromaticContact CH2-CZ2 3.96Å; W396-W479 HydrophobicContact CH2-CZ2 3.96Å; W396-W479 AromaticContact CZ2-CH2 3.64Å; W396-W479 HydrophobicContact CZ2-CH2 3.64Å; W396-W479 AromaticContact CZ2-CZ2 3.69Å; W396-W479 HydrophobicContact CZ2-CZ2 3.69Å; Y440-W479 AromaticContact CD2-CD1 3.87Å; Y440-W479 AromaticContact CD2-NE1 3.79Å; Y440-W479 AromaticContact CE1-NE1 3.96Å; Y440-W479 AromaticContact CE2-CD1 3.66Å; Y440-W479 AromaticContact CE2-NE1 3.15Å; Y440-W479 AromaticContact CZ-NE1 3.22Å; Y440-W479 PolarHBondContact OH-NE1 3.32Å; N442-W479 HydrophobicContact CB-CB 4.08Å; W479-E481 VanDerWaalsContact CB-OE2 3.23Å; W479-E481 WeakPolarHBondContact CB-OE2 3.12Å
480	G	98	Very high	98.2	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.01	16%	0.155	C	C	.	.	S	Bend	trans	-94.7	-1.4	-159.9	0	0	0	0	0	115.2	D195 H199 Y482 V483	D195-G480 WeakPolarHBondContact OD2-CA 3.27Å; D195-G480 PolarHBondContact OD2-N 3.07Å; H199-G480 PolarHBondContact ND1-O 3.35Å; G480-Y482 PolarHBondContact O-N 2.99Å; G480-V483 PolarHBondContact O-N 2.99Å; G480-V483 VanDerWaalsContact O-O 3.13Å
481	E	95.6	Very high	98.2	Very high	61 Å²	61	28.9 Å²	28.9	29%	0.285	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.7	-172.1	-62.8	86.8	163.1	0	0	113.2	R198 H199 W479	R198-E481 HydrophobicContact CG-CG 3.97Å; R198-E481 IonicContact CZ-OE1 3.54Å; R198-E481 IonicContact NH1-OE1 3.43Å; H199-E481 PolarHBondContact CE1-O 2.73Å; W479-E481 VanDerWaalsContact CB-OE2 3.23Å; W479-E481 WeakPolarHBondContact CB-OE2 3.12Å
482	Y	96.7	Very high	98.2	Very high	150 Å²	150	28.7 Å²	28.7	59%	0.588	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127	18	179	-55.9	-73.9	0	0	0	112.7	Y304 G480 N487 R491	Y304-Y482 HydrophobicContact CE1-CE1 4.26Å; Y304-Y482 AromaticContact CE1-CZ 3.97Å; Y304-Y482 WeakPolarHBondContact CE1-OH 3.09Å; Y304-Y482 WeakPolarHBondContact OH-CE2 3.39Å; Y304-Y482 PolarHBondContact OH-OH 3.45Å; G480-Y482 PolarHBondContact O-N 2.99Å; Y482-N487 PolarHBondContact O-ND2 2.84Å; Y482-R491 PolarHBondContact O-NH1 3.25Å
483	V	98.5	Very high	98.2	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.03	15%	0.145	C	C	.	.			trans	-131	124.9	-173.5	-179.2	0	0	0	0	110.5	H199 M478 G480 N487 L488 R491	H199-V483 WeakPolarHBondContact CB-O 3.38Å; M478-V483 HydrophobicContact CG-CG1 4.12Å; M478-V483 HydrophobicContact CG-CG2 4.39Å; M478-V483 HydrophobicContact SD-CG1 4.41Å; M478-V483 HydrophobicContact SD-CG2 3.82Å; G480-V483 PolarHBondContact O-N 2.99Å; G480-V483 VanDerWaalsContact O-O 3.13Å; V483-N487 VanDerWaalsContact CA-OD1 3.28Å; V483-N487 WeakPolarHBondContact CA-OD1 3.46Å; V483-L488 HydrophobicContact CG1-CB 3.86Å; V483-L488 HydrophobicContact CG1-CD1 3.69Å; V483-L488 HydrophobicContact CG1-CG 4.39Å; V483-R491 VanDerWaalsContact CG2-NH1 3.27Å
484	D	98.5	Very high	98.1	Very high	50 Å²	50	27.6 Å²	27.6	27%	0.267	15%	0.145	S	C	.	.			trans	-139.1	-168.4	172.5	78.2	-7.3	0	0	0	110.5	H199 T486 N487 L488	H199-D484 HydrophobicContact CB-CB 3.74Å; D484-T486 PolarHBondContact O-N 2.98Å; D484-T486 WeakPolarHBondContact OD1-CA 3.28Å; D484-T486 VanDerWaalsContact OD1-CB 3.27Å; D484-T486 WeakPolarHBondContact OD1-CB 3.25Å; D484-T486 WeakPolarHBondContact OD1-CG2 3.4Å; D484-T486 PolarHBondContact OD1-N 3.44Å; D484-T486 PolarHBondContact OD1-OG1 3.32Å; D484-N487 PolarHBondContact N-OD1 2.83Å; D484-N487 PolarHBondContact O-N 2.86Å; D484-N487 PolarHBondContact O-OD1 2.82Å; D484-L488 VanDerWaalsContact O-CB 3.28Å; D484-L488 WeakPolarHBondContact O-CB 3.21Å; D484-L488 PolarHBondContact O-N 3.01Å
485	G	97.7	Very high	98.1	Very high	33 Å²	33	27.8 Å²	27.8	34%	0.34	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-14	179.1	0	0	0	0	0	115.6	M205	M205-G485 WeakPolarHBondContact CE-O 3.49Å
486	T	98.3	Very high	98.1	Very high	116 Å²	116	27.8 Å²	27.8	71%	0.712	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-26.8	-179.5	70.3	0	0	0	0	113.3	D484	D484-T486 PolarHBondContact O-N 2.98Å; D484-T486 WeakPolarHBondContact OD1-CA 3.28Å; D484-T486 VanDerWaalsContact OD1-CB 3.27Å; D484-T486 WeakPolarHBondContact OD1-CB 3.25Å; D484-T486 WeakPolarHBondContact OD1-CG2 3.4Å; D484-T486 PolarHBondContact OD1-N 3.44Å; D484-T486 PolarHBondContact OD1-OG1 3.32Å
487	N	98.4	Very high	98.1	Very high	38 Å²	38	27.8 Å²	27.8	20%	0.203	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.1	-5	-171.5	69.6	0.5	0	0	0	114.6	Y482 V483 D484 P490 R491	Y482-N487 PolarHBondContact O-ND2 2.84Å; V483-N487 VanDerWaalsContact CA-OD1 3.28Å; V483-N487 WeakPolarHBondContact CA-OD1 3.46Å; D484-N487 PolarHBondContact N-OD1 2.83Å; D484-N487 PolarHBondContact O-N 2.86Å; D484-N487 PolarHBondContact O-OD1 2.82Å; N487-P490 WeakPolarHBondContact O-CD 3.31Å; N487-P490 WeakPolarHBondContact O-CG 3.48Å; N487-R491 WeakPolarHBondContact O-CB 3.39Å; N487-R491 PolarHBondContact O-N 3.07Å; N487-R491 VanDerWaalsContact O-N 3.12Å
488	L	98.7	Very high	98.1	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-53.7	-60.4	-178.2	173.3	63.5	0	0	0	113.3	L194 L201 M205 M478 V483 D484 R491 L492	L194-L488 HydrophobicContact CD1-CD2 4.27Å; L194-L488 HydrophobicContact CD2-CD1 3.78Å; L194-L488 HydrophobicContact CD2-CD2 4.35Å; L201-L488 HydrophobicContact CD1-CD2 3.63Å; L201-L488 HydrophobicContact CD2-CD2 4.18Å; M205-L488 HydrophobicContact CG-CD2 3.75Å; M205-L488 HydrophobicContact SD-CB 4.44Å; M205-L488 HydrophobicContact SD-CD2 4.06Å; M478-L488 HydrophobicContact CG-CD1 3.73Å; V483-L488 HydrophobicContact CG1-CB 3.86Å; V483-L488 HydrophobicContact CG1-CD1 3.69Å; V483-L488 HydrophobicContact CG1-CG 4.39Å; D484-L488 VanDerWaalsContact O-CB 3.28Å; D484-L488 WeakPolarHBondContact O-CB 3.21Å; D484-L488 PolarHBondContact O-N 3.01Å; L488-R491 PolarHBondContact O-N 2.85Å; L488-L492 HydrophobicContact CD1-CD2 4.36Å; L488-L492 VanDerWaalsContact O-CB 3.23Å; L488-L492 WeakPolarHBondContact O-CB 3.17Å; L488-L492 PolarHBondContact O-N 3.4Å
489	L	98.5	Very high	98.1	Very high	19 Å²	19	27.7 Å²	27.7	10%	0.099	15%	0.146	C	C	.	.	H	α-helix	trans	-63.1	-49.1	-172.8	-58.4	-176	0	0	0	113.8	M205 N209 L212 R491 L492 W493 F531 P532	M205-L489 HydrophobicContact SD-CD1 3.88Å; M205-L489 HydrophobicContact SD-CD2 3.98Å; M205-L489 HydrophobicContact SD-CG 3.6Å; N209-L489 HydrophobicContact CB-CD2 4.17Å; L212-L489 HydrophobicContact CD1-CD2 4.04Å; L489-R491 VanDerWaalsContact C-N 3.31Å; L489-R491 PolarHBondContact O-N 3.45Å; L489-L492 PolarHBondContact O-N 2.96Å; L489-W493 PolarHBondContact O-N 3.47Å; L489-F531 HydrophobicContact CD1-CD1 4.2Å; L489-P532 HydrophobicContact CB-CG 4.03Å; L489-P532 HydrophobicContact CD1-CG 4.43Å
490	P	97.6	Very high	98.1	Very high	42 Å²	42	27 Å²	27	27%	0.273	14%	0.144	S	C	.	.	H	α-helix	trans	-63	-38.3	177.2	22.1	-31.6	0	0	0	112	N487 W493 P532 E534	N487-P490 WeakPolarHBondContact O-CD 3.31Å; N487-P490 WeakPolarHBondContact O-CG 3.48Å; P490-W493 VanDerWaalsContact O-O 3.06Å; P490-P532 WeakPolarHBondContact CA-O 3.3Å; P490-P532 VanDerWaalsContact CB-O 3.29Å; P490-P532 WeakPolarHBondContact CB-O 3.49Å; P490-E534 WeakPolarHBondContact O-CB 3.46Å; P490-E534 WeakPolarHBondContact O-CG 3.43Å
491	R	97.7	Very high	98.1	Very high	45 Å²	45	27 Å²	27	17%	0.17	14%	0.143	C	C	.	.	H	α-helix	trans	-68.3	-37.9	178	-177.3	171.3	-69.8	168.5	3.1	112	I444 M478 Y482 V483 N487 L488 L489 R495	I444-R491 HydrophobicContact CG2-CG 4.12Å; M478-R491 HydrophobicContact CE-CG 4.06Å; M478-R491 HydrophobicContact SD-CG 4.27Å; Y482-R491 PolarHBondContact O-NH1 3.25Å; V483-R491 VanDerWaalsContact CG2-NH1 3.27Å; N487-R491 WeakPolarHBondContact O-CB 3.39Å; N487-R491 PolarHBondContact O-N 3.07Å; N487-R491 VanDerWaalsContact O-N 3.12Å; L488-R491 PolarHBondContact O-N 2.85Å; L489-R491 VanDerWaalsContact C-N 3.31Å; L489-R491 PolarHBondContact O-N 3.45Å; R491-R495 VanDerWaalsContact O-CZ 3.24Å; R491-R495 PolarHBondContact O-NE 3.37Å; R491-R495 PolarHBondContact O-NH2 3.08Å
492	L	98.5	Very high	98.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-78.7	-36.8	-176.6	-174.6	58.6	0	0	0	112.2	I192 L194 N209 L441 V476 M478 L488 L489 R495 A496	I192-L492 HydrophobicContact CD1-CD2 4.35Å; I192-L492 HydrophobicContact CG2-CD2 4.12Å; L194-L492 HydrophobicContact CD2-CD2 4.17Å; N209-L492 WeakPolarHBondContact OD1-CD2 3.1Å; L441-L492 HydrophobicContact CD2-CD1 3.95Å; V476-L492 HydrophobicContact CG1-CD1 3.86Å; M478-L492 HydrophobicContact CB-CD1 4.33Å; M478-L492 HydrophobicContact CE-CB 3.84Å; M478-L492 HydrophobicContact CE-CD1 3.51Å; M478-L492 HydrophobicContact CE-CG 4.25Å; L488-L492 HydrophobicContact CD1-CD2 4.36Å; L488-L492 VanDerWaalsContact O-CB 3.23Å; L488-L492 WeakPolarHBondContact O-CB 3.17Å; L488-L492 PolarHBondContact O-N 3.4Å; L489-L492 PolarHBondContact O-N 2.96Å; L492-R495 PolarHBondContact O-N 2.89Å; L492-A496 HydrophobicContact CD1-CB 3.69Å; L492-A496 HydrophobicContact CG-CB 4.04Å; L492-A496 WeakPolarHBondContact O-CB 3.38Å; L492-A496 PolarHBondContact O-N 3.3Å
493	W	98.6	Very high	98.3	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.008	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	128	-170.2	-57.8	101.9	0	0	0	111.4	I192 N209 L212 M213 N216 F218 L489 P490 A496 M526 A533 E534	I192-W493 HydrophobicContact CD1-CH2 3.45Å; I192-W493 VanDerWaalsContact CD1-CH2 3.45Å; I192-W493 HydrophobicContact CD1-CZ2 3.45Å; I192-W493 VanDerWaalsContact CD1-CZ2 3.45Å; I192-W493 HydrophobicContact CD1-CZ3 4.48Å; N209-W493 PolarHBondContact OD1-NE1 2.92Å; L212-W493 HydrophobicContact CB-CD2 4.12Å; L212-W493 HydrophobicContact CB-CH2 4.43Å; L212-W493 HydrophobicContact CB-CZ2 3.71Å; L212-W493 HydrophobicContact CD1-CD2 4.32Å; L212-W493 HydrophobicContact CD1-CG 3.84Å; M213-W493 HydrophobicContact CG-CH2 4.43Å; M213-W493 HydrophobicContact CG-CZ2 4.13Å; N216-W493 HydrophobicContact CB-CH2 4.01Å; N216-W493 HydrophobicContact CB-CZ3 3.75Å; N216-W493 WeakPolarHBondContact ND2-CZ3 3.31Å; F218-W493 AromaticContact CD2-CH2 3.87Å; F218-W493 HydrophobicContact CD2-CH2 3.87Å; F218-W493 HydrophobicContact CD2-CZ3 4.42Å; F218-W493 AromaticContact CE2-CH2 3.9Å; F218-W493 HydrophobicContact CE2-CH2 3.9Å; F218-W493 HydrophobicContact CE2-CZ3 4.12Å; L489-W493 PolarHBondContact O-N 3.47Å; P490-W493 VanDerWaalsContact O-O 3.06Å; W493-A496 HydrophobicContact CD2-CB 4.34Å; W493-A496 HydrophobicContact CE3-CB 3.84Å; W493-A496 HydrophobicContact CH2-CB 3.98Å; W493-A496 HydrophobicContact CZ2-CB 4.45Å; W493-A496 HydrophobicContact CZ3-CB 3.61Å; W493-M526 HydrophobicContact CB-SD 4.3Å; W493-M526 HydrophobicContact CE3-SD 4.45Å; W493-A533 HydrophobicContact CB-CB 4.31Å; W493-A533 CarbonylContact O-C 3.54Å; W493-A533 VanDerWaalsContact O-CA 3.24Å; W493-A533 WeakPolarHBondContact O-CA 3.4Å; W493-E534 PolarHBondContact O-N 3.32Å
494	P	97.6	Very high	98.4	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	cis	-94.9	9.6	15.6	37.9	-38	0	0	0	115.1	A496 S497 L519 R523 M526 E534 V536	P494-A496 VanDerWaalsContact C-N 3.26Å; P494-A496 PolarHBondContact O-N 3.2Å; P494-S497 WeakPolarHBondContact O-CA 3.14Å; P494-S497 WeakPolarHBondContact O-CB 3.45Å; P494-S497 PolarHBondContact O-N 2.99Å; P494-S497 PolarHBondContact O-OG 2.62Å; P494-L519 HydrophobicContact CB-CD1 3.97Å; P494-R523 HydrophobicContact CB-CB 4.5Å; P494-R523 HydrophobicContact CG-CB 4.37Å; P494-R523 HydrophobicContact CG-CG 4.2Å; P494-M526 HydrophobicContact CB-CE 3.64Å; P494-E534 WeakPolarHBondContact CD-O 3.48Å; P494-V536 HydrophobicContact CG-CB 3.68Å; P494-V536 HydrophobicContact CG-CG1 4.21Å; P494-V536 HydrophobicContact CG-CG2 3.91Å
495	R	98	Very high	98.4	Very high	4 Å²	4	14.6 Å²	14.6	2%	0.015	9%	0.089	C	C	.	.	H	α-helix	trans	-57.6	-35.8	-177.2	-64.2	-168	-58.6	139.9	7.7	113.4	L441 Y443 D449 F453 R491 L492 S497 V498 E534	L441-R495 HydrophobicContact CD2-CB 3.63Å; L441-R495 HydrophobicContact CG-CB 4.24Å; L441-R495 PolarHBondContact O-NH1 3.05Å; L441-R495 PolarHBondContact O-NH2 3.31Å; Y443-R495 PolarHBondContact O-NH1 3.39Å; D449-R495 WeakPolarHBondContact OD1-CD 3.48Å; D449-R495 WeakPolarHBondContact OD2-CD 3.42Å; D449-R495 IonicContact OD2-CZ 3.89Å; D449-R495 IonicContact OD2-NE 3.82Å; D449-R495 IonicContact OD2-NH1 3.81Å; D449-R495 PolarHBondContact OD2-NH1 3.4Å; F453-R495 HydrophobicContact CE2-CB 4.43Å; R491-R495 VanDerWaalsContact O-CZ 3.24Å; R491-R495 PolarHBondContact O-NE 3.37Å; R491-R495 PolarHBondContact O-NH2 3.08Å; L492-R495 PolarHBondContact O-N 2.89Å; R495-S497 VanDerWaalsContact C-N 3.29Å; R495-S497 PolarHBondContact O-N 3.18Å; R495-V498 VanDerWaalsContact O-CG2 3.24Å; R495-V498 WeakPolarHBondContact O-CG2 3.3Å; R495-E534 VanDerWaalsContact CD-OE1 3.25Å; R495-E534 WeakPolarHBondContact CD-OE1 3.49Å; R495-E534 WeakPolarHBondContact CG-OE1 3.14Å; R495-E534 IonicContact NE-OE1 2.83Å; R495-E534 PolarHBondContact NE-OE1 3.15Å
496	A	98.6	Very high	98.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-71.3	-23.5	174.1	0	0	0	0	0	113.2	I192 F218 L441 V476 L492 W493 P494 V498 V499 A500	I192-A496 HydrophobicContact CD1-CB 4.04Å; F218-A496 HydrophobicContact CE2-CB 4.36Å; F218-A496 WeakPolarHBondContact CE2-O 3.34Å; F218-A496 WeakPolarHBondContact CZ-O 3.36Å; L441-A496 HydrophobicContact CD2-CB 4.05Å; V476-A496 HydrophobicContact CG1-CB 4.15Å; V476-A496 HydrophobicContact CG2-CB 4.31Å; L492-A496 HydrophobicContact CD1-CB 3.69Å; L492-A496 HydrophobicContact CG-CB 4.04Å; L492-A496 WeakPolarHBondContact O-CB 3.38Å; L492-A496 PolarHBondContact O-N 3.3Å; W493-A496 HydrophobicContact CD2-CB 4.34Å; W493-A496 HydrophobicContact CE3-CB 3.84Å; W493-A496 HydrophobicContact CH2-CB 3.98Å; W493-A496 HydrophobicContact CZ2-CB 4.45Å; W493-A496 HydrophobicContact CZ3-CB 3.61Å; P494-A496 VanDerWaalsContact C-N 3.26Å; P494-A496 PolarHBondContact O-N 3.2Å; A496-V498 PolarHBondContact O-N 3.43Å; A496-V499 PolarHBondContact O-N 3.41Å; A496-A500 PolarHBondContact O-N 2.73Å; A496-A500 VanDerWaalsContact O-N 3.07Å
497	S	98.7	Very high	98.3	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.2	-34.2	178.6	-57.3	0	0	0	0	111.9	W38 N216 P494 R495 V499 A500 E501	W38-S497 PolarHBondContact NE1-O 3.13Å; N216-S497 WeakPolarHBondContact OD1-CA 3.39Å; N216-S497 WeakPolarHBondContact OD1-CB 3.41Å; N216-S497 PolarHBondContact OD1-OG 3.33Å; P494-S497 WeakPolarHBondContact O-CA 3.14Å; P494-S497 WeakPolarHBondContact O-CB 3.45Å; P494-S497 PolarHBondContact O-N 2.99Å; P494-S497 PolarHBondContact O-OG 2.62Å; R495-S497 VanDerWaalsContact C-N 3.29Å; R495-S497 PolarHBondContact O-N 3.18Å; S497-V499 VanDerWaalsContact C-N 3.33Å; S497-V499 PolarHBondContact O-N 3.47Å; S497-A500 VanDerWaalsContact O-CB 3.29Å; S497-A500 WeakPolarHBondContact O-CB 3.43Å; S497-A500 PolarHBondContact O-N 2.85Å; S497-E501 PolarHBondContact O-N 2.78Å
498	V	98.2	Very high	98.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-71.4	-29.9	-179.8	-48.4	0	0	0	0	113.2	W38 W450 F453 Y454 R495 A496 R502 L519	W38-V498 HydrophobicContact CH2-CG1 4.26Å; W38-V498 HydrophobicContact CZ2-CB 4.34Å; W38-V498 HydrophobicContact CZ2-CG1 3.93Å; W450-V498 HydrophobicContact CB-CG1 4.08Å; W450-V498 HydrophobicContact CB-CG2 3.98Å; W450-V498 HydrophobicContact CD2-CG1 4.01Å; W450-V498 HydrophobicContact CE3-CB 4.09Å; W450-V498 HydrophobicContact CE3-CG1 3.5Å; W450-V498 VanDerWaalsContact CE3-CG1 3.5Å; W450-V498 HydrophobicContact CE3-CG2 4.39Å; W450-V498 HydrophobicContact CG-CG1 4.3Å; W450-V498 HydrophobicContact CZ3-CG1 4.21Å; F453-V498 HydrophobicContact CB-CG2 3.67Å; F453-V498 HydrophobicContact CD2-CG2 4.49Å; Y454-V498 HydrophobicContact CD2-CB 3.91Å; Y454-V498 HydrophobicContact CG-CB 4.47Å; R495-V498 VanDerWaalsContact O-CG2 3.24Å; R495-V498 WeakPolarHBondContact O-CG2 3.3Å; A496-V498 PolarHBondContact O-N 3.43Å; V498-R502 PolarHBondContact O-N 2.71Å; V498-L519 HydrophobicContact CG1-CD1 4.14Å; V498-L519 HydrophobicContact CG1-CD2 3.5Å; V498-L519 HydrophobicContact CG1-CG 4.48Å
499	V	98.6	Very high	98.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-73.4	-39.2	171.5	-175.5	0	0	0	0	110.6	F218 W439 F453 V476 A496 S497 E501 R502 L503	F218-V499 HydrophobicContact CZ-CB 4.31Å; F218-V499 HydrophobicContact CZ-CG1 4.5Å; W439-V499 HydrophobicContact CB-CG2 4.26Å; W439-V499 HydrophobicContact CD2-CB 4.34Å; W439-V499 HydrophobicContact CD2-CG1 3.4Å; W439-V499 HydrophobicContact CD2-CG2 4.02Å; W439-V499 HydrophobicContact CE3-CG1 3.6Å; W439-V499 HydrophobicContact CG-CB 4.41Å; W439-V499 HydrophobicContact CG-CG1 3.89Å; W439-V499 HydrophobicContact CG-CG2 3.64Å; W439-V499 HydrophobicContact CH2-CG1 4.01Å; W439-V499 HydrophobicContact CZ2-CG1 3.86Å; W439-V499 HydrophobicContact CZ3-CG1 3.89Å; F453-V499 HydrophobicContact CB-CG2 4.2Å; V476-V499 HydrophobicContact CG2-CB 3.51Å; V476-V499 HydrophobicContact CG2-CG1 3.51Å; V476-V499 HydrophobicContact CG2-CG2 3.75Å; A496-V499 PolarHBondContact O-N 3.41Å; S497-V499 VanDerWaalsContact C-N 3.33Å; S497-V499 PolarHBondContact O-N 3.47Å; V499-E501 VanDerWaalsContact C-N 3.28Å; V499-E501 PolarHBondContact O-N 3.03Å; V499-R502 PolarHBondContact O-N 3.22Å; V499-L503 HydrophobicContact CG1-CD1 3.87Å; V499-L503 HydrophobicContact CG1-CG 4.23Å; V499-L503 WeakPolarHBondContact O-CB 3.31Å; V499-L503 WeakPolarHBondContact O-CG 3.19Å; V499-L503 PolarHBondContact O-N 3.07Å
500	A	98.7	Very high	98	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-55.6	-43.4	172.9	0	0	0	0	0	112	P39 N216 F218 A496 S497 L503 W504	P39-A500 HydrophobicContact CG-CB 4.26Å; N216-A500 HydrophobicContact CB-CB 4Å; N216-A500 WeakPolarHBondContact O-CB 3.13Å; F218-A500 HydrophobicContact CD2-CB 3.8Å; F218-A500 HydrophobicContact CE2-CB 3.27Å; F218-A500 HydrophobicContact CZ-CB 3.72Å; A496-A500 PolarHBondContact O-N 2.73Å; A496-A500 VanDerWaalsContact O-N 3.07Å; S497-A500 VanDerWaalsContact O-CB 3.29Å; S497-A500 WeakPolarHBondContact O-CB 3.43Å; S497-A500 PolarHBondContact O-N 2.85Å; A500-L503 PolarHBondContact O-N 2.74Å; A500-W504 WeakPolarHBondContact O-CB 3.43Å; A500-W504 PolarHBondContact O-N 3.47Å
501	E	98.8	Very high	98	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.6	-46.7	177	-179.6	155.9	105.7	0	0	112.4	W38 P39 M40 Y454 S497 V499 L503 W504 S505 R518	W38-E501 HydrophobicContact CZ2-CB 3.85Å; P39-E501 HydrophobicContact CB-CB 4.21Å; P39-E501 HydrophobicContact CB-CG 4.38Å; P39-E501 HydrophobicContact CG-CB 4.47Å; M40-E501 PolarHBondContact N-OE2 2.88Å; Y454-E501 HydrophobicContact CE2-CB 4.09Å; Y454-E501 HydrophobicContact CE2-CG 3.87Å; Y454-E501 WeakPolarHBondContact CE2-OE1 3.11Å; Y454-E501 VanDerWaalsContact CZ-OE1 3.26Å; Y454-E501 PolarHBondContact OH-OE1 2.9Å; S497-E501 PolarHBondContact O-N 2.78Å; V499-E501 VanDerWaalsContact C-N 3.28Å; V499-E501 PolarHBondContact O-N 3.03Å; E501-L503 PolarHBondContact O-N 2.98Å; E501-W504 PolarHBondContact O-N 2.92Å; E501-W504 VanDerWaalsContact O-N 3.15Å; E501-S505 WeakPolarHBondContact CG-OG 3.27Å; E501-S505 WeakPolarHBondContact O-CB 3.39Å; E501-S505 PolarHBondContact O-N 3.16Å; E501-S505 PolarHBondContact O-OG 2.82Å; E501-R518 IonicContact OE1-CZ 3.07Å; E501-R518 IonicContact OE1-NH1 3.48Å; E501-R518 PolarHBondContact OE1-NH1 3.37Å; E501-R518 IonicContact OE1-NH2 3.53Å; E501-R518 PolarHBondContact OE1-NH2 3.47Å; E501-R518 IonicContact OE2-CZ 3.99Å; E501-R518 IonicContact OE2-NH1 3.57Å; E501-R518 PolarHBondContact OE2-NH1 3.44Å; E501-R518 IonicContact OE2-NH2 3.87Å; E501-R518 PolarHBondContact OE2-NH2 3.01Å
502	R	98.6	Very high	97.9	Very high	5 Å²	5	20.3 Å²	20.3	2%	0.019	12%	0.12	C	C	.	.	H	α-helix	trans	-59.4	-33.6	177.4	178.7	57.3	55.2	-144.5	-19.3	113.4	W439 Y454 C456 D457 V498 V499 A507 V509 N510	W439-R502 HydrophobicContact CH2-CG 4.48Å; W439-R502 HydrophobicContact CZ2-CG 3.98Å; Y454-R502 VanDerWaalsContact O-CZ 3.3Å; Y454-R502 PolarHBondContact O-NE 3.49Å; Y454-R502 PolarHBondContact O-NH2 3.25Å; C456-R502 WeakPolarHBondContact O-CD 3.33Å; C456-R502 WeakPolarHBondContact O-CG 3.37Å; C456-R502 PolarHBondContact O-NE 3.39Å; D457-R502 IonicContact OD2-NH1 2.75Å; V498-R502 PolarHBondContact O-N 2.71Å; V499-R502 PolarHBondContact O-N 3.22Å; R502-A507 PolarHBondContact NH1-O 3.4Å; R502-V509 PolarHBondContact NH1-O 3.22Å; R502-V509 PolarHBondContact NH2-O 3.33Å; R502-N510 VanDerWaalsContact NH2-CB 3.31Å
503	L	98.7	Very high	97.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-87.2	-17.8	179.6	-66.3	178.7	0	0	0	113.9	F187 R190 W439 P458 V499 A500 E501	F187-L503 HydrophobicContact CD2-CD2 3.89Å; F187-L503 HydrophobicContact CE2-CD2 4.36Å; F187-L503 HydrophobicContact CG-CD2 4.34Å; F187-L503 PolarHBondContact N-O 3.01Å; F187-L503 VanDerWaalsContact N-O 3.13Å; R190-L503 HydrophobicContact CB-CB 4.42Å; R190-L503 HydrophobicContact CB-CD1 4.19Å; R190-L503 HydrophobicContact CG-CB 3.8Å; R190-L503 HydrophobicContact CG-CD1 4.29Å; W439-L503 HydrophobicContact CH2-CD1 4.36Å; W439-L503 HydrophobicContact CH2-CD2 3.61Å; W439-L503 HydrophobicContact CH2-CG 3.97Å; W439-L503 HydrophobicContact CZ3-CD1 4.13Å; W439-L503 HydrophobicContact CZ3-CD2 3.92Å; W439-L503 HydrophobicContact CZ3-CG 4.24Å; P458-L503 HydrophobicContact CG-CD2 3.79Å; V499-L503 HydrophobicContact CG1-CD1 3.87Å; V499-L503 HydrophobicContact CG1-CG 4.23Å; V499-L503 WeakPolarHBondContact O-CB 3.31Å; V499-L503 WeakPolarHBondContact O-CG 3.19Å; V499-L503 PolarHBondContact O-N 3.07Å; A500-L503 PolarHBondContact O-N 2.74Å; E501-L503 PolarHBondContact O-N 2.98Å
504	W	98.8	Very high	97.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-99.8	-54.3	-179.3	-178.5	-80.6	0	0	0	112.8	P39 Q42 E127 Y129 R151 D183 P185 R186 K217 A500 E501	P39-W504 HydrophobicContact CB-CB 3.73Å; P39-W504 HydrophobicContact CB-CG 3.74Å; P39-W504 HydrophobicContact CG-CB 3.79Å; P39-W504 HydrophobicContact CG-CG 4.01Å; Q42-W504 PolarHBondContact NE2-O 3.04Å; E127-W504 HydrophobicContact CB-CH2 4.4Å; Y129-W504 HydrophobicContact CE1-CZ2 4.01Å; R151-W504 HydrophobicContact CB-CH2 3.8Å; R151-W504 HydrophobicContact CB-CZ2 4.39Å; R151-W504 HydrophobicContact CG-CH2 3.62Å; R151-W504 HydrophobicContact CG-CZ3 3.99Å; D183-W504 VanDerWaalsContact CG-NE1 3.31Å; D183-W504 PolarHBondContact OD1-NE1 3.38Å; D183-W504 VanDerWaalsContact OD2-CZ2 3.29Å; D183-W504 WeakPolarHBondContact OD2-CZ2 3.42Å; D183-W504 PolarHBondContact OD2-NE1 3.5Å; P185-W504 CarbonylContact C-O 3.53Å; P185-W504 HydrophobicContact CB-CD2 4.24Å; P185-W504 HydrophobicContact CB-CE3 3.76Å; P185-W504 HydrophobicContact CB-CH2 4.35Å; P185-W504 HydrophobicContact CB-CZ3 3.83Å; P185-W504 HydrophobicContact CG-CH2 4.48Å; P185-W504 HydrophobicContact CG-CZ3 4.23Å; R186-W504 WeakPolarHBondContact CB-O 3.16Å; R186-W504 PolarHBondContact N-O 2.93Å; K217-W504 HydrophobicContact CB-CD2 4.13Å; K217-W504 HydrophobicContact CB-CE3 3.5Å; K217-W504 HydrophobicContact CB-CZ3 3.77Å; K217-W504 HydrophobicContact CD-CD2 3.59Å; K217-W504 HydrophobicContact CD-CE3 3.66Å; K217-W504 HydrophobicContact CD-CG 4.37Å; K217-W504 HydrophobicContact CD-CH2 3.76Å; K217-W504 HydrophobicContact CD-CZ2 3.63Å; K217-W504 HydrophobicContact CD-CZ3 3.75Å; K217-W504 HydrophobicContact CG-CE3 4.23Å; K217-W504 HydrophobicContact CG-CZ3 4.33Å; A500-W504 WeakPolarHBondContact O-CB 3.43Å; A500-W504 PolarHBondContact O-N 3.47Å; E501-W504 PolarHBondContact O-N 2.92Å; E501-W504 VanDerWaalsContact O-N 3.15Å
505	S	98.7	Very high	97.4	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.007	18%	0.175	C	C	.	.	S	Bend	trans	-75.3	165	-169.9	-59	0	0	0	0	112.7	M40 R186 E501	M40-S505 PolarHBondContact N-OG 3.46Å; M40-S505 WeakPolarHBondContact O-CB 3.47Å; M40-S505 PolarHBondContact O-OG 3.02Å; R186-S505 WeakPolarHBondContact CB-O 3.34Å; R186-S505 WeakPolarHBondContact CD-O 3.35Å; E501-S505 WeakPolarHBondContact CG-OG 3.27Å; E501-S505 WeakPolarHBondContact O-CB 3.39Å; E501-S505 PolarHBondContact O-N 3.16Å; E501-S505 PolarHBondContact O-OG 2.82Å
506	D	97.9	Very high	97.3	Very high	66 Å²	66	32.3 Å²	32.3	35%	0.353	18%	0.183	S	C	.	.			trans	-56.7	147.8	172.7	-174.9	-95.6	0	0	0	111.3	S508 V509	D506-S508 PolarHBondContact O-N 3.34Å; D506-S508 VanDerWaalsContact O-N 3.11Å; D506-S508 WeakPolarHBondContact OD1-CB 3.45Å; D506-S508 PolarHBondContact OD1-N 3.36Å; D506-S508 PolarHBondContact OD1-OG 3.15Å; D506-V509 HydrophobicContact CB-CG2 4.41Å; D506-V509 WeakPolarHBondContact O-CB 3.46Å; D506-V509 PolarHBondContact O-N 3.13Å
507	A	97	Very high	97.1	Very high	35 Å²	35	33.5 Å²	33.5	29%	0.289	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-30.8	-178.4	0	0	0	0	0	113.1	R502 V509 N510	R502-A507 PolarHBondContact NH1-O 3.4Å; A507-V509 VanDerWaalsContact C-N 3.25Å; A507-V509 PolarHBondContact O-N 3.48Å; A507-N510 PolarHBondContact O-ND2 2.94Å
508	S	96.9	Very high	97	Very high	84 Å²	84	33.9 Å²	33.9	59%	0.587	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-17.2	177.8	66.1	0	0	0	0	114.1	D506 N510	D506-S508 PolarHBondContact O-N 3.34Å; D506-S508 VanDerWaalsContact O-N 3.11Å; D506-S508 WeakPolarHBondContact OD1-CB 3.45Å; D506-S508 PolarHBondContact OD1-N 3.36Å; D506-S508 PolarHBondContact OD1-OG 3.15Å; S508-N510 VanDerWaalsContact C-N 3.34Å; S508-N510 PolarHBondContact O-N 3.43Å
509	V	97.3	Very high	96.9	Very high	30 Å²	30	33.9 Å²	33.9	18%	0.182	19%	0.193	C	C	.	.			trans	-77.1	86.8	173.3	-174.4	0	0	0	0	108.6	M40 Y454 R502 D506 A507	M40-V509 HydrophobicContact CB-CG1 3.97Å; M40-V509 HydrophobicContact CB-CG2 4.49Å; M40-V509 HydrophobicContact CG-CG1 4.37Å; M40-V509 HydrophobicContact CG-CG2 4.31Å; Y454-V509 PolarHBondContact OH-O 2.9Å; R502-V509 PolarHBondContact NH1-O 3.22Å; R502-V509 PolarHBondContact NH2-O 3.33Å; D506-V509 HydrophobicContact CB-CG2 4.41Å; D506-V509 WeakPolarHBondContact O-CB 3.46Å; D506-V509 PolarHBondContact O-N 3.13Å; A507-V509 VanDerWaalsContact C-N 3.25Å; A507-V509 PolarHBondContact O-N 3.48Å
510	N	95.7	Very high	96.8	Very high	94 Å²	94	34.4 Å²	34.4	50%	0.503	20%	0.195	S	C	.	.			trans	-144	9	-176.4	64.9	26.2	0	0	0	114.3	R502 A507 S508 I512	R502-N510 VanDerWaalsContact NH2-CB 3.31Å; A507-N510 PolarHBondContact O-ND2 2.94Å; S508-N510 VanDerWaalsContact C-N 3.34Å; S508-N510 PolarHBondContact O-N 3.43Å; N510-I512 PolarHBondContact O-N 3.24Å
511	N	96.7	Very high	96.6	Very high	69 Å²	69	35 Å²	35	37%	0.369	20%	0.198	S	C	.	.			trans	-75.8	112.8	177.3	-174	-33.4	0	0	0	110.8	T513 E514 A515	N511-T513 PolarHBondContact O-N 3.2Å; N511-T513 PolarHBondContact OD1-N 3.17Å; N511-E514 HydrophobicContact CB-CB 4.18Å; N511-E514 HydrophobicContact CB-CG 4.2Å; N511-E514 PolarHBondContact ND2-OE1 3.27Å; N511-E514 PolarHBondContact O-N 3.43Å; N511-E514 PolarHBondContact OD1-N 2.77Å; N511-A515 WeakPolarHBondContact O-CB 3.22Å; N511-A515 PolarHBondContact O-N 2.98Å
512	I	95.5	Very high	96.5	Very high	36 Å²	36	35 Å²	35	19%	0.185	20%	0.198	C	C	.	.	H	α-helix	trans	-61.9	-44.3	-178	-68.9	172	0	0	0	111.9	W450 H451 Y454 K455 N510 E514 A515 E516	W450-I512 HydrophobicContact CH2-CG2 3.95Å; W450-I512 HydrophobicContact CZ2-CG2 4.4Å; H451-I512 HydrophobicContact CB-CD1 4.35Å; H451-I512 WeakPolarHBondContact NE2-CG2 3.39Å; Y454-I512 HydrophobicContact CD1-CG1 4.16Å; K455-I512 HydrophobicContact CD-CD1 4.47Å; K455-I512 VanDerWaalsContact CE-CD1 3.41Å; K455-I512 HydrophobicContact CG-CD1 4.32Å; N510-I512 PolarHBondContact O-N 3.24Å; I512-E514 VanDerWaalsContact C-N 3.3Å; I512-E514 PolarHBondContact O-N 3.49Å; I512-A515 CarbonylContact O-C 3.53Å; I512-A515 WeakPolarHBondContact O-CA 3.27Å; I512-A515 WeakPolarHBondContact O-CB 3.45Å; I512-A515 PolarHBondContact O-N 3.02Å; I512-A515 VanDerWaalsContact O-N 3.07Å; I512-E516 HydrophobicContact CG2-CG 4.32Å; I512-E516 WeakPolarHBondContact O-CG 3.48Å; I512-E516 PolarHBondContact O-N 2.91Å
513	T	92.8	Very high	96.4	Very high	95 Å²	95	35.4 Å²	35.4	58%	0.583	20%	0.2	S	C	*	.	H	α-helix	trans	-64.5	-36	-177.5	-56.2	0	0	0	0	112.1	N511	N511-T513 PolarHBondContact O-N 3.2Å; N511-T513 PolarHBondContact OD1-N 3.17Å
514	E	93.9	Very high	96.2	Very high	122 Å²	122	35.5 Å²	35.5	57%	0.57	20%	0.2	S	C	*	.	H	α-helix	trans	-72.6	-33.1	173.6	-68.1	176.2	-163.3	0	0	112.4	N511 I512 R518	N511-E514 HydrophobicContact CB-CB 4.18Å; N511-E514 HydrophobicContact CB-CG 4.2Å; N511-E514 PolarHBondContact ND2-OE1 3.27Å; N511-E514 PolarHBondContact O-N 3.43Å; N511-E514 PolarHBondContact OD1-N 2.77Å; I512-E514 VanDerWaalsContact C-N 3.3Å; I512-E514 PolarHBondContact O-N 3.49Å; E514-R518 PolarHBondContact O-NE 3.42Å
515	A	97.1	Very high	96	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-69.9	-40.7	175.9	0	0	0	0	0	112.2	W38 W450 Y454 N511 I512 S517 R518 L519	W38-A515 HydrophobicContact CH2-CB 4.13Å; W38-A515 HydrophobicContact CZ3-CB 4.17Å; W38-A515 WeakPolarHBondContact CZ3-O 3.5Å; W450-A515 HydrophobicContact CH2-CB 3.98Å; W450-A515 HydrophobicContact CZ3-CB 4.13Å; Y454-A515 HydrophobicContact CE1-CB 3.94Å; Y454-A515 HydrophobicContact CE2-CB 4.39Å; N511-A515 WeakPolarHBondContact O-CB 3.22Å; N511-A515 PolarHBondContact O-N 2.98Å; I512-A515 CarbonylContact O-C 3.53Å; I512-A515 WeakPolarHBondContact O-CA 3.27Å; I512-A515 WeakPolarHBondContact O-CB 3.45Å; I512-A515 PolarHBondContact O-N 3.02Å; I512-A515 VanDerWaalsContact O-N 3.07Å; A515-S517 VanDerWaalsContact C-N 3.31Å; A515-S517 PolarHBondContact O-N 2.93Å; A515-R518 PolarHBondContact O-N 2.89Å; A515-R518 VanDerWaalsContact O-N 3.16Å; A515-L519 VanDerWaalsContact O-CB 3.28Å; A515-L519 WeakPolarHBondContact O-CB 3.43Å; A515-L519 PolarHBondContact O-N 3.25Å
516	E	95.6	Very high	95.8	Very high	40 Å²	40	36.5 Å²	36.5	19%	0.187	20%	0.203	C	C	.	.	H	α-helix	trans	-48.1	-52.3	178.4	-80.7	170.3	166.5	0	0	111.5	W450 H451 I512 R518 L519 E520 N537	W450-E516 HydrophobicContact CH2-CG 3.99Å; W450-E516 HydrophobicContact CZ2-CG 3.61Å; H451-E516 IonicContact CE1-OE1 3.86Å; H451-E516 IonicContact NE2-OE1 3.95Å; I512-E516 HydrophobicContact CG2-CG 4.32Å; I512-E516 WeakPolarHBondContact O-CG 3.48Å; I512-E516 PolarHBondContact O-N 2.91Å; E516-R518 PolarHBondContact O-N 3.44Å; E516-L519 PolarHBondContact O-N 3.37Å; E516-E520 WeakPolarHBondContact O-CG 3.25Å; E516-E520 PolarHBondContact O-N 3.35Å; E516-E520 VanDerWaalsContact O-N 3.08Å; E516-N537 PolarHBondContact O-ND2 2.95Å
517	S	94.5	Very high	95.7	Very high	26 Å²	26	34.3 Å²	34.3	18%	0.182	19%	0.192	C	C	.	.	H	α-helix	trans	-68.3	-34.3	-174.9	-58.9	0	0	0	0	113.4	P31 T33 A515 E521	P31-S517 VanDerWaalsContact O-CA 3.29Å; P31-S517 WeakPolarHBondContact O-CA 3.36Å; P31-S517 WeakPolarHBondContact O-CB 3.34Å; P31-S517 PolarHBondContact O-OG 3.05Å; T33-S517 PolarHBondContact N-O 3.47Å; T33-S517 VanDerWaalsContact N-O 3.09Å; T33-S517 PolarHBondContact OG1-O 3.28Å; A515-S517 VanDerWaalsContact C-N 3.31Å; A515-S517 PolarHBondContact O-N 2.93Å; S517-E521 PolarHBondContact O-N 3.5Å
518	R	96.7	Very high	95.4	Very high	8 Å²	8	32.8 Å²	32.8	3%	0.03	18%	0.179	C	C	.	.	H	α-helix	trans	-77.7	-35.7	177.8	-65.6	-179.5	-63.3	105.5	-1.2	112.1	T33 M36 W38 M40 E501 E514 A515 E516 E520 E521 H522	T33-R518 HydrophobicContact CG2-CG 3.7Å; T33-R518 WeakPolarHBondContact OG1-CA 3.37Å; M36-R518 HydrophobicContact CB-CG 4.01Å; W38-R518 HydrophobicContact CE3-CB 3.75Å; W38-R518 HydrophobicContact CZ3-CB 4.02Å; M40-R518 VanDerWaalsContact CE-CD 3.46Å; E501-R518 IonicContact OE1-CZ 3.07Å; E501-R518 IonicContact OE1-NH1 3.48Å; E501-R518 PolarHBondContact OE1-NH1 3.37Å; E501-R518 IonicContact OE1-NH2 3.53Å; E501-R518 PolarHBondContact OE1-NH2 3.47Å; E501-R518 IonicContact OE2-CZ 3.99Å; E501-R518 IonicContact OE2-NH1 3.57Å; E501-R518 PolarHBondContact OE2-NH1 3.44Å; E501-R518 IonicContact OE2-NH2 3.87Å; E501-R518 PolarHBondContact OE2-NH2 3.01Å; E514-R518 PolarHBondContact O-NE 3.42Å; A515-R518 PolarHBondContact O-N 2.89Å; A515-R518 VanDerWaalsContact O-N 3.16Å; E516-R518 PolarHBondContact O-N 3.44Å; R518-E520 VanDerWaalsContact C-N 3.35Å; R518-E521 PolarHBondContact O-N 2.87Å; R518-H522 WeakPolarHBondContact O-CB 3.49Å; R518-H522 PolarHBondContact O-N 3.49Å
519	L	97.2	Very high	95.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.8	-38.8	177.8	-169.3	57.5	0	0	0	111.1	W38 W450 P494 V498 A515 E516 H522 R523 V536	W38-L519 HydrophobicContact CD2-CD1 4.24Å; W38-L519 HydrophobicContact CE3-CB 4.22Å; W38-L519 HydrophobicContact CE3-CD1 4.33Å; W38-L519 HydrophobicContact CH2-CB 3.9Å; W38-L519 HydrophobicContact CH2-CD1 3.82Å; W38-L519 HydrophobicContact CH2-CD2 4.34Å; W38-L519 HydrophobicContact CH2-CG 4.24Å; W38-L519 HydrophobicContact CZ2-CD1 3.67Å; W38-L519 HydrophobicContact CZ3-CB 3.68Å; W38-L519 HydrophobicContact CZ3-CD1 4.15Å; W38-L519 HydrophobicContact CZ3-CG 4.44Å; W450-L519 HydrophobicContact CD2-CD2 3.91Å; W450-L519 HydrophobicContact CE3-CD2 4.15Å; W450-L519 HydrophobicContact CG-CD2 4.35Å; W450-L519 HydrophobicContact CH2-CD2 4.43Å; W450-L519 HydrophobicContact CZ2-CD2 4.22Å; W450-L519 HydrophobicContact CZ3-CD2 4.4Å; P494-L519 HydrophobicContact CB-CD1 3.97Å; V498-L519 HydrophobicContact CG1-CD1 4.14Å; V498-L519 HydrophobicContact CG1-CD2 3.5Å; V498-L519 HydrophobicContact CG1-CG 4.48Å; A515-L519 VanDerWaalsContact O-CB 3.28Å; A515-L519 WeakPolarHBondContact O-CB 3.43Å; A515-L519 PolarHBondContact O-N 3.25Å; E516-L519 PolarHBondContact O-N 3.37Å; L519-H522 PolarHBondContact O-N 2.74Å; L519-R523 VanDerWaalsContact O-CB 3.27Å; L519-R523 WeakPolarHBondContact O-CB 3.36Å; L519-R523 PolarHBondContact O-N 2.99Å; L519-V536 HydrophobicContact CD2-CB 4.48Å; L519-V536 HydrophobicContact CD2-CG1 4.2Å; L519-V536 HydrophobicContact CD2-CG2 3.56Å; L519-V536 HydrophobicContact CG-CG1 4.09Å; L519-V536 HydrophobicContact CG-CG2 4.25Å
520	E	94.9	Very high	95.1	Very high	10 Å²	10	30.6 Å²	30.6	5%	0.047	17%	0.171	C	C	.	.	H	α-helix	trans	-62.7	-42.7	172.5	-71	-64.5	161.5	0	0	112	F30 R32 E516 R518 R523 C524 V536 N537	F30-E520 HydrophobicContact CB-CG 4.07Å; R32-E520 HydrophobicContact CG-CB 3.52Å; E516-E520 WeakPolarHBondContact O-CG 3.25Å; E516-E520 PolarHBondContact O-N 3.35Å; E516-E520 VanDerWaalsContact O-N 3.08Å; R518-E520 VanDerWaalsContact C-N 3.35Å; E520-R523 PolarHBondContact O-N 2.94Å; E520-C524 PolarHBondContact O-N 3.06Å; E520-C524 VanDerWaalsContact O-N 3.09Å; E520-C524 PolarHBondContact O-SG 2.82Å; E520-V536 HydrophobicContact CG-CG1 4.43Å; E520-V536 WeakPolarHBondContact OE1-CG1 3.28Å; E520-N537 VanDerWaalsContact CG-ND2 3.35Å; E520-N537 WeakPolarHBondContact CG-ND2 3.38Å; E520-N537 VanDerWaalsContact OE1-CB 3.25Å; E520-N537 WeakPolarHBondContact OE1-CB 3.47Å; E520-N537 PolarHBondContact OE1-N 3.18Å; E520-N537 VanDerWaalsContact OE1-N 3.08Å; E520-N537 PolarHBondContact OE1-ND2 3.18Å
521	E	94.8	Very high	95.1	Very high	13 Å²	13	27.2 Å²	27.2	6%	0.061	15%	0.152	C	C	.	.	H	α-helix	trans	-60	-47.8	173.6	-173.5	-173.1	165.3	0	0	110.9	T33 K34 G35 M36 S517 R518 R523 C524 R525	T33-E521 VanDerWaalsContact CB-OE2 3.23Å; T33-E521 WeakPolarHBondContact CB-OE2 3.05Å; T33-E521 VanDerWaalsContact O-OE2 3.09Å; T33-E521 PolarHBondContact OG1-OE2 3.46Å; K34-E521 PolarHBondContact N-OE2 2.98Å; G35-E521 WeakPolarHBondContact CA-OE1 3.43Å; G35-E521 PolarHBondContact N-OE1 3.43Å; G35-E521 PolarHBondContact N-OE2 2.97Å; M36-E521 PolarHBondContact N-OE1 3.44Å; M36-E521 PolarHBondContact N-OE2 3.4Å; M36-E521 VanDerWaalsContact N-OE2 3.1Å; S517-E521 PolarHBondContact O-N 3.5Å; R518-E521 PolarHBondContact O-N 2.87Å; E521-R523 PolarHBondContact O-N 3.08Å; E521-C524 PolarHBondContact O-N 3.39Å; E521-R525 PolarHBondContact O-N 3.35Å; E521-R525 IonicContact OE1-NH2 3.31Å; E521-R525 PolarHBondContact OE1-NH2 3.04Å; E521-R525 VanDerWaalsContact OE1-NH2 3.07Å
522	H	97.2	Very high	95.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.9	-37.6	-179	-172	53.5	0	0	0	112.9	W38 N216 R518 L519 R525 M526	W38-H522 HydrophobicContact CB-CB 3.86Å; W38-H522 AromaticContact CD1-CD2 3.59Å; W38-H522 AromaticContact CD1-NE2 3.86Å; W38-H522 HydrophobicContact CG-CB 4.17Å; W38-H522 AromaticContact CG-CD2 3.73Å; W38-H522 AromaticContact CG-CG 3.94Å; N216-H522 PolarHBondContact OD1-NE2 3.13Å; R518-H522 WeakPolarHBondContact O-CB 3.49Å; R518-H522 PolarHBondContact O-N 3.49Å; L519-H522 PolarHBondContact O-N 2.74Å; H522-R525 PolarHBondContact ND1-NH1 3.28Å; H522-R525 VanDerWaalsContact ND1-NH1 3.11Å; H522-R525 VanDerWaalsContact O-CB 3.3Å; H522-R525 WeakPolarHBondContact O-CB 3.38Å; H522-R525 PolarHBondContact O-N 3.17Å; H522-M526 PolarHBondContact O-N 2.89Å
523	R	96.2	Very high	95.2	Very high	15 Å²	15	25.7 Å²	25.7	6%	0.057	15%	0.148	C	C	.	.	H	α-helix	trans	-60.3	-46.8	173.2	-178.9	-92.9	174.2	178.5	-3.1	111.2	P494 L519 E520 E521 R525 M526 L527 A533 E534 C542	P494-R523 HydrophobicContact CB-CB 4.5Å; P494-R523 HydrophobicContact CG-CB 4.37Å; P494-R523 HydrophobicContact CG-CG 4.2Å; L519-R523 VanDerWaalsContact O-CB 3.27Å; L519-R523 WeakPolarHBondContact O-CB 3.36Å; L519-R523 PolarHBondContact O-N 2.99Å; E520-R523 PolarHBondContact O-N 2.94Å; E521-R523 PolarHBondContact O-N 3.08Å; R523-R525 VanDerWaalsContact C-N 3.29Å; R523-R525 PolarHBondContact O-N 3.13Å; R523-M526 PolarHBondContact O-N 3.29Å; R523-L527 VanDerWaalsContact NH1-CD1 3.31Å; R523-L527 PolarHBondContact O-N 3.08Å; R523-L527 VanDerWaalsContact O-N 3.13Å; R523-A533 HydrophobicContact CG-CB 4.14Å; R523-A533 PolarHBondContact NE-O 3.31Å; R523-A533 VanDerWaalsContact NE-O 3.14Å; R523-A533 PolarHBondContact NH2-O 2.9Å; R523-A533 VanDerWaalsContact NH2-O 3.11Å; R523-E534 VanDerWaalsContact CG-O 3.32Å; R523-E534 WeakPolarHBondContact CG-O 3.37Å; R523-E534 PolarHBondContact NE-O 3.42Å; R523-C542 PolarHBondContact NH1-SG 3.45Å
524	C	94.2	Very high	95.3	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.007	13%	0.134	C	C	.	.	H	α-helix	trans	-63.7	-34.9	175	-69.6	0	0	0	0	112.5	R32 E520 E521 L527 Q528 C542	R32-C524 PolarHBondContact NH1-SG 2.86Å; R32-C524 VanDerWaalsContact NH1-SG 3.37Å; E520-C524 PolarHBondContact O-N 3.06Å; E520-C524 VanDerWaalsContact O-N 3.09Å; E520-C524 PolarHBondContact O-SG 2.82Å; E521-C524 PolarHBondContact O-N 3.39Å; C524-L527 PolarHBondContact O-N 3.33Å; C524-Q528 WeakPolarHBondContact O-CB 3.33Å; C524-Q528 PolarHBondContact O-N 3.1Å; C524-C542 WeakPolarHBondContact CA-SG 3.25Å; C524-C542 HydrophobicContact CB-CB 3.7Å; C524-C542 WeakPolarHBondContact CB-SG 3.34Å; C524-C542 VanDerWaalsContact SG-CA 3.57Å; C524-C542 WeakPolarHBondContact SG-CB 3.47Å; C524-C542 CovalentContact SG-SG 2.04Å; C524-C542 PolarHBondContact SG-SG 2.96Å
525	R	94.5	Very high	95.3	Very high	22 Å²	22	22.5 Å²	22.5	8%	0.083	13%	0.134	C	C	.	.	H	α-helix	trans	-61.6	-43.9	173	-168.2	-176.1	-61.1	138.2	-5.5	111.9	M36 Q158 E521 H522 R523 Q528 R529	M36-R525 PolarHBondContact O-NH2 2.91Å; Q158-R525 VanDerWaalsContact CD-NH1 3.27Å; Q158-R525 VanDerWaalsContact CG-CZ 3.45Å; Q158-R525 PolarHBondContact O-NH2 3.29Å; E521-R525 PolarHBondContact O-N 3.35Å; E521-R525 IonicContact OE1-NH2 3.31Å; E521-R525 PolarHBondContact OE1-NH2 3.04Å; E521-R525 VanDerWaalsContact OE1-NH2 3.07Å; H522-R525 PolarHBondContact ND1-NH1 3.28Å; H522-R525 VanDerWaalsContact ND1-NH1 3.11Å; H522-R525 VanDerWaalsContact O-CB 3.3Å; H522-R525 WeakPolarHBondContact O-CB 3.38Å; H522-R525 PolarHBondContact O-N 3.17Å; R523-R525 VanDerWaalsContact C-N 3.29Å; R523-R525 PolarHBondContact O-N 3.13Å; R525-Q528 PolarHBondContact O-N 3Å; R525-R529 VanDerWaalsContact O-CG 3.32Å; R525-R529 WeakPolarHBondContact O-CG 3.33Å; R525-R529 PolarHBondContact O-N 3.04Å
526	M	96.2	Very high	94.9	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.3	-42.8	176.2	-71.9	-173.5	-75.8	0	0	112.2	L212 W493 P494 H522 R523 Q528 R529 G530 F531 A533	L212-M526 HydrophobicContact CD2-CB 4.34Å; L212-M526 HydrophobicContact CD2-CG 3.91Å; L212-M526 HydrophobicContact CD2-SD 3.69Å; W493-M526 HydrophobicContact CB-SD 4.3Å; W493-M526 HydrophobicContact CE3-SD 4.45Å; P494-M526 HydrophobicContact CB-CE 3.64Å; H522-M526 PolarHBondContact O-N 2.89Å; R523-M526 PolarHBondContact O-N 3.29Å; M526-Q528 PolarHBondContact O-N 3.19Å; M526-R529 PolarHBondContact O-N 3.19Å; M526-G530 PolarHBondContact O-N 3.3Å; M526-G530 VanDerWaalsContact O-N 3.11Å; M526-F531 PolarHBondContact O-N 3.46Å; M526-A533 HydrophobicContact CB-CB 4.07Å; M526-A533 HydrophobicContact CE-CB 4.02Å; M526-A533 HydrophobicContact SD-CB 4.49Å
527	L	94.6	Very high	94.6	Very high	20 Å²	20	21.9 Å²	21.9	11%	0.105	13%	0.132	C	C	.	.	H	α-helix	trans	-60.5	-44.4	173.4	-71.1	170.3	0	0	0	112.4	R523 C524 R529 G530 F531 C542 V545 V548	R523-L527 VanDerWaalsContact NH1-CD1 3.31Å; R523-L527 PolarHBondContact O-N 3.08Å; R523-L527 VanDerWaalsContact O-N 3.13Å; C524-L527 PolarHBondContact O-N 3.33Å; L527-R529 PolarHBondContact O-N 2.91Å; L527-G530 WeakPolarHBondContact O-CA 3.21Å; L527-G530 PolarHBondContact O-N 3.42Å; L527-F531 WeakPolarHBondContact CA-O 3.27Å; L527-F531 WeakPolarHBondContact CD2-O 3.45Å; L527-C542 HydrophobicContact CD1-CB 4.42Å; L527-C542 VanDerWaalsContact CD1-SG 3.57Å; L527-V545 HydrophobicContact CB-CG2 3.93Å; L527-V548 HydrophobicContact CD1-CB 4.48Å; L527-V548 HydrophobicContact CD1-CG1 3.51Å; L527-V548 HydrophobicContact CD2-CG1 4.17Å; L527-V548 HydrophobicContact CG-CG1 4.46Å
528	Q	91.8	Very high	94.4	Very high	3 Å²	3	22 Å²	22	1%	0.014	14%	0.138	C	C	.	.	H	α-helix	trans	-61.6	-34.7	177.3	-179.9	-84.7	-28.7	0	0	111.6	I78 K81 Y82 C524 R525 M526 G530 E544 V545	I78-Q528 PolarHBondContact O-NE2 3.08Å; K81-Q528 PolarHBondContact NZ-O 3.1Å; K81-Q528 PolarHBondContact O-NE2 3.32Å; Y82-Q528 HydrophobicContact CD2-CG 3.94Å; Y82-Q528 HydrophobicContact CE2-CG 4.3Å; Y82-Q528 WeakPolarHBondContact CE2-O 3.3Å; C524-Q528 WeakPolarHBondContact O-CB 3.33Å; C524-Q528 PolarHBondContact O-N 3.1Å; R525-Q528 PolarHBondContact O-N 3Å; M526-Q528 PolarHBondContact O-N 3.19Å; Q528-G530 PolarHBondContact O-N 3.29Å; Q528-E544 HydrophobicContact CG-CB 4.44Å; Q528-V545 HydrophobicContact CB-CG2 3.85Å
529	R	93.6	Very high	94	Very high	16 Å²	16	26.4 Å²	26.4	6%	0.06	17%	0.167	C	C	.	.	H	α-helix	trans	-73.8	-15.8	174	-68.5	170.6	179.1	177.4	-9.6	112.9	I78 K81 E154 S157 Q215 R525 M526 L527 F531	I78-R529 HydrophobicContact CB-CG 4.33Å; I78-R529 HydrophobicContact CD1-CG 4.28Å; I78-R529 VanDerWaalsContact CD1-NE 3.27Å; I78-R529 HydrophobicContact CG2-CG 4.24Å; K81-R529 PolarHBondContact NZ-O 3.09Å; E154-R529 IonicContact OE1-CZ 3.6Å; E154-R529 IonicContact OE1-NH1 2.8Å; E154-R529 PolarHBondContact OE1-NH1 2.87Å; E154-R529 IonicContact OE1-NH2 3.53Å; E154-R529 PolarHBondContact OE1-NH2 3.49Å; E154-R529 IonicContact OE2-CZ 2.69Å; E154-R529 IonicContact OE2-NH1 3.71Å; E154-R529 PolarHBondContact OE2-NH1 3.13Å; E154-R529 IonicContact OE2-NH2 3.53Å; E154-R529 PolarHBondContact OE2-NH2 2.97Å; S157-R529 PolarHBondContact OG-NH2 2.93Å; Q215-R529 VanDerWaalsContact CD-NH1 3.27Å; Q215-R529 VanDerWaalsContact CG-NH1 3.29Å; R525-R529 VanDerWaalsContact O-CG 3.32Å; R525-R529 WeakPolarHBondContact O-CG 3.33Å; R525-R529 PolarHBondContact O-N 3.04Å; M526-R529 PolarHBondContact O-N 3.19Å; L527-R529 PolarHBondContact O-N 2.91Å; R529-F531 HydrophobicContact CB-CD2 4.18Å; R529-F531 HydrophobicContact CB-CE2 4.42Å
530	G	93.7	Very high	93.6	Very high	53 Å²	53	28.5 Å²	28.5	55%	0.546	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	111.1	13	172.2	0	0	0	0	0	114.2	M526 L527 Q528	M526-G530 PolarHBondContact O-N 3.3Å; M526-G530 VanDerWaalsContact O-N 3.11Å; L527-G530 WeakPolarHBondContact O-CA 3.21Å; L527-G530 PolarHBondContact O-N 3.42Å; Q528-G530 PolarHBondContact O-N 3.29Å
531	F	96.1	Very high	93.2	Very high	23 Å²	23	31.2 Å²	31.2	10%	0.101	20%	0.199	C	C	.	.			trans	-102.3	133.9	-178.7	-65.7	-76.5	0	0	0	111.8	G208 E211 L212 Q215 L489 M526 L527 R529 A533	G208-F531 WeakPolarHBondContact O-CE1 3.4Å; E211-F531 HydrophobicContact CB-CZ 4.03Å; E211-F531 HydrophobicContact CG-CE2 3.96Å; E211-F531 HydrophobicContact CG-CZ 3.76Å; E211-F531 WeakPolarHBondContact OE1-CE2 3.37Å; E211-F531 WeakPolarHBondContact OE1-CZ 3.06Å; L212-F531 HydrophobicContact CD1-CB 3.97Å; L212-F531 HydrophobicContact CD1-CD1 3.56Å; L212-F531 HydrophobicContact CD1-CE1 4.18Å; L212-F531 HydrophobicContact CD1-CG 3.77Å; L212-F531 HydrophobicContact CD2-CB 3.78Å; L212-F531 HydrophobicContact CD2-CD1 4.13Å; L212-F531 HydrophobicContact CD2-CD2 3.61Å; L212-F531 HydrophobicContact CD2-CE2 4.24Å; L212-F531 HydrophobicContact CD2-CG 3.55Å; L212-F531 HydrophobicContact CG-CB 4.24Å; L212-F531 HydrophobicContact CG-CD1 3.74Å; L212-F531 HydrophobicContact CG-CD2 4.01Å; L212-F531 HydrophobicContact CG-CE1 4.04Å; L212-F531 HydrophobicContact CG-CE2 4.32Å; L212-F531 HydrophobicContact CG-CG 3.71Å; L212-F531 HydrophobicContact CG-CZ 4.32Å; Q215-F531 VanDerWaalsContact NE2-CE2 3.31Å; L489-F531 HydrophobicContact CD1-CD1 4.2Å; M526-F531 PolarHBondContact O-N 3.46Å; L527-F531 WeakPolarHBondContact CA-O 3.27Å; L527-F531 WeakPolarHBondContact CD2-O 3.45Å; R529-F531 HydrophobicContact CB-CD2 4.18Å; R529-F531 HydrophobicContact CB-CE2 4.42Å; F531-A533 PolarHBondContact O-N 3.27Å
532	P	96.3	Very high	92.9	Very high	68 Å²	68	30.7 Å²	30.7	44%	0.442	20%	0.197	S	C	.	.			trans	-80.8	63.5	-174	35.3	-37.9	0	0	0	112	L489 P490	L489-P532 HydrophobicContact CB-CG 4.03Å; L489-P532 HydrophobicContact CD1-CG 4.43Å; P490-P532 WeakPolarHBondContact CA-O 3.3Å; P490-P532 VanDerWaalsContact CB-O 3.29Å; P490-P532 WeakPolarHBondContact CB-O 3.49Å
533	A	96.9	Very high	92	Very high	4 Å²	4	32.2 Å²	32.2	3%	0.033	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-69.5	132.6	177.3	0	0	0	0	0	111.7	W493 R523 M526 F531	W493-A533 HydrophobicContact CB-CB 4.31Å; W493-A533 CarbonylContact O-C 3.54Å; W493-A533 VanDerWaalsContact O-CA 3.24Å; W493-A533 WeakPolarHBondContact O-CA 3.4Å; R523-A533 HydrophobicContact CG-CB 4.14Å; R523-A533 PolarHBondContact NE-O 3.31Å; R523-A533 VanDerWaalsContact NE-O 3.14Å; R523-A533 PolarHBondContact NH2-O 2.9Å; R523-A533 VanDerWaalsContact NH2-O 3.11Å; M526-A533 HydrophobicContact CB-CB 4.07Å; M526-A533 HydrophobicContact CE-CB 4.02Å; M526-A533 HydrophobicContact SD-CB 4.49Å; F531-A533 PolarHBondContact O-N 3.27Å
534	E	95.7	Very high	91	Very high	64 Å²	64	32.1 Å²	32.1	30%	0.299	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-67.4	155	-179	70	-176.3	-179	0	0	112.2	P490 W493 P494 R495 R523	P490-E534 WeakPolarHBondContact O-CB 3.46Å; P490-E534 WeakPolarHBondContact O-CG 3.43Å; W493-E534 PolarHBondContact O-N 3.32Å; P494-E534 WeakPolarHBondContact CD-O 3.48Å; R495-E534 VanDerWaalsContact CD-OE1 3.25Å; R495-E534 WeakPolarHBondContact CD-OE1 3.49Å; R495-E534 WeakPolarHBondContact CG-OE1 3.14Å; R495-E534 IonicContact NE-OE1 2.83Å; R495-E534 PolarHBondContact NE-OE1 3.15Å; R523-E534 VanDerWaalsContact CG-O 3.32Å; R523-E534 WeakPolarHBondContact CG-O 3.37Å; R523-E534 PolarHBondContact NE-O 3.42Å
535	P	94.3	Very high	90.3	Very high	86 Å²	86	32.9 Å²	32.9	56%	0.558	21%	0.208	S	C	*	.	P	Polyproline II helix	trans	-62.3	148.7	166.6	-18.2	31.8	0	0	0	111.2
536	V	87.7	Confident	89.2	Confident	12 Å²	12	36.5 Å²	36.5	7%	0.073	23%	0.234	C	C	.	.			trans	-122.1	-44.5	-165.9	63	0	0	0	0	115.8	S448 W450 P494 L519 E520	S448-V536 PolarHBondContact OG-O 2.84Å; W450-V536 HydrophobicContact CG-CG2 3.94Å; P494-V536 HydrophobicContact CG-CB 3.68Å; P494-V536 HydrophobicContact CG-CG1 4.21Å; P494-V536 HydrophobicContact CG-CG2 3.91Å; L519-V536 HydrophobicContact CD2-CB 4.48Å; L519-V536 HydrophobicContact CD2-CG1 4.2Å; L519-V536 HydrophobicContact CD2-CG2 3.56Å; L519-V536 HydrophobicContact CG-CG1 4.09Å; L519-V536 HydrophobicContact CG-CG2 4.25Å; E520-V536 HydrophobicContact CG-CG1 4.43Å; E520-V536 WeakPolarHBondContact OE1-CG1 3.28Å
537	N	90.4	Very high	88.2	Confident	15 Å²	15	40.7 Å²	40.7	8%	0.08	28%	0.278	C	S	.	.	S	Bend	trans	-100.5	-22.9	-178	-60.5	-40.9	0	0	0	113.6	F30 W450 E516 E520	F30-N537 HydrophobicContact CB-CB 4.46Å; F30-N537 HydrophobicContact CD1-CB 3.62Å; F30-N537 HydrophobicContact CD2-CB 3.83Å; F30-N537 HydrophobicContact CE1-CB 3.68Å; F30-N537 VanDerWaalsContact CE2-C 3.45Å; F30-N537 HydrophobicContact CE2-CB 3.9Å; F30-N537 WeakPolarHBondContact CE2-O 3.49Å; F30-N537 HydrophobicContact CG-CB 3.69Å; F30-N537 HydrophobicContact CZ-CB 3.81Å; F30-N537 VanDerWaalsContact CZ-O 3.28Å; F30-N537 WeakPolarHBondContact CZ-O 3.28Å; W450-N537 VanDerWaalsContact CE2-OD1 3.28Å; W450-N537 WeakPolarHBondContact CZ2-OD1 3.27Å; W450-N537 PolarHBondContact NE1-OD1 3.15Å; E516-N537 PolarHBondContact O-ND2 2.95Å; E520-N537 VanDerWaalsContact CG-ND2 3.35Å; E520-N537 WeakPolarHBondContact CG-ND2 3.38Å; E520-N537 VanDerWaalsContact OE1-CB 3.25Å; E520-N537 WeakPolarHBondContact OE1-CB 3.47Å; E520-N537 PolarHBondContact OE1-N 3.18Å; E520-N537 VanDerWaalsContact OE1-N 3.08Å; E520-N537 PolarHBondContact OE1-ND2 3.18Å
538	G	88.8	Confident	87	Confident	30 Å²	30	43.8 Å²	43.8	31%	0.309	30%	0.297	S	S	.	.	S	Bend	trans	154.3	-153.8	179.2	0	0	0	0	0	112.1
539	P	89.1	Confident	86.8	Confident	99 Å²	99	45.9 Å²	45.9	64%	0.643	31%	0.312	S	S	*	.	S	Bend	trans	-59.6	138.4	177.2	-21.8	33.6	0	0	0	112
540	G	88.1	Confident	86.4	Confident	44 Å²	44	47.4 Å²	47.4	45%	0.454	33%	0.325	S	S	.	.			trans	-176.1	-175.4	-178.2	0	0	0	0	0	111.2
541	Y	87.7	Confident	86	Confident	67 Å²	67	47.1 Å²	47.1	26%	0.263	31%	0.312	S	S	.	.			trans	-153.3	159.1	177.9	70.7	-75.8	0	0	0	110.3	R32	R32-Y541 PolarHBondContact NH2-O 3.31Å
542	C	87.4	Confident	85.4	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.02	33%	0.325	C	S	.	.			trans	-114.9	103.3	175.3	-61.7	0	0	0	0	110.5	R523 C524 L527 E544 V545 V548	R523-C542 PolarHBondContact NH1-SG 3.45Å; C524-C542 WeakPolarHBondContact CA-SG 3.25Å; C524-C542 HydrophobicContact CB-CB 3.7Å; C524-C542 WeakPolarHBondContact CB-SG 3.34Å; C524-C542 VanDerWaalsContact SG-CA 3.57Å; C524-C542 WeakPolarHBondContact SG-CB 3.47Å; C524-C542 CovalentContact SG-SG 2.04Å; C524-C542 PolarHBondContact SG-SG 2.96Å; L527-C542 HydrophobicContact CD1-CB 4.42Å; L527-C542 VanDerWaalsContact CD1-SG 3.57Å; C542-E544 PolarHBondContact O-N 3.41Å; C542-E544 VanDerWaalsContact O-N 3.08Å; C542-V545 HydrophobicContact CB-CB 4.37Å; C542-V545 HydrophobicContact CB-CG2 4.45Å; C542-V545 PolarHBondContact O-N 3.02Å; C542-V548 PolarHBondContact N-O 3.4Å
543	Y	79.3	Confident	84.7	Confident	31 Å²	31	47.3 Å²	47.3	12%	0.122	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-24	-178.1	56.9	-112.7	0	0	0	113.5	R162 P163 D164 V545	R162-Y543 HydrophobicContact CB-CE2 4.24Å; P163-Y543 VanDerWaalsContact O-CD2 3.24Å; P163-Y543 WeakPolarHBondContact O-CD2 3.43Å; P163-Y543 VanDerWaalsContact O-CE2 3.26Å; P163-Y543 WeakPolarHBondContact O-CE2 3.38Å; D164-Y543 HydrophobicContact CB-CD1 4.29Å; D164-Y543 HydrophobicContact CB-CE1 4.26Å; Y543-V545 VanDerWaalsContact C-N 3.28Å; Y543-V545 PolarHBondContact O-N 3.39Å
544	E	75.2	Confident	83.9	Confident	13 Å²	13	50.2 Å²	50.2	6%	0.061	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-15.3	178.9	-55.4	91.5	154.7	0	0	113.8	R32 R162 Q528 C542	R32-E544 IonicContact CZ-OE2 3.9Å; R32-E544 IonicContact NH1-OE1 3.49Å; R32-E544 PolarHBondContact NH1-OE1 2.87Å; R32-E544 IonicContact NH1-OE2 2.81Å; R32-E544 PolarHBondContact NH1-OE2 3.23Å; R162-E544 HydrophobicContact CB-CG 3.83Å; R162-E544 HydrophobicContact CG-CG 4.33Å; Q528-E544 HydrophobicContact CG-CB 4.44Å; C542-E544 PolarHBondContact O-N 3.41Å; C542-E544 VanDerWaalsContact O-N 3.08Å
545	V	79.5	Confident	83.1	Confident	17 Å²	17	49.2 Å²	49.2	10%	0.103	34%	0.339	C	S	.	.	S	Bend	trans	-127.8	88	-172.7	-169.9	0	0	0	0	108.8	L527 Q528 C542 Y543 G547 V548	L527-V545 HydrophobicContact CB-CG2 3.93Å; Q528-V545 HydrophobicContact CB-CG2 3.85Å; C542-V545 HydrophobicContact CB-CB 4.37Å; C542-V545 HydrophobicContact CB-CG2 4.45Å; C542-V545 PolarHBondContact O-N 3.02Å; Y543-V545 VanDerWaalsContact C-N 3.28Å; Y543-V545 PolarHBondContact O-N 3.39Å; V545-G547 PolarHBondContact O-N 3.4Å; V545-V548 HydrophobicContact CB-CB 4.42Å; V545-V548 HydrophobicContact CG1-CB 4.13Å; V545-V548 HydrophobicContact CG1-CG2 3.74Å; V545-V548 PolarHBondContact O-N 2.95Å
546	P	71.6	Confident	82.2	Confident	98 Å²	98	46.4 Å²	46.4	64%	0.636	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	126.2	-178.7	-26.4	34.4	0	0	0	112	L86	L86-P546 HydrophobicContact CD2-CG 4.19Å
547	G	73.6	Confident	81.7	Confident	88 Å²	88	49.3 Å²	49.3	91%	0.907	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	96	7	177.3	0	0	0	0	0	116	V545	V545-G547 PolarHBondContact O-N 3.4Å
548	V	70.3	Confident	80.9	Confident	86 Å²	86	52.4 Å²	52.4	52%	0.521	37%	0.367	S	S	.	.			trans	-124	0	-177.9	-175.9	0	0	0	0	113.8	L527 C542 V545	L527-V548 HydrophobicContact CD1-CB 4.48Å; L527-V548 HydrophobicContact CD1-CG1 3.51Å; L527-V548 HydrophobicContact CD2-CG1 4.17Å; L527-V548 HydrophobicContact CG-CG1 4.46Å; C542-V548 PolarHBondContact N-O 3.4Å; V545-V548 HydrophobicContact CB-CB 4.42Å; V545-V548 HydrophobicContact CG1-CB 4.13Å; V545-V548 HydrophobicContact CG1-CG2 3.74Å; V545-V548 PolarHBondContact O-N 2.95Å

Retrieved 548 of 548 residues in 280.3 ms (Link to these results)

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