A0A077Z3E7_TRITR Loading...

Angiotensin-converting enzyme

AlphaFold DB , UniProt , Accession A0A077Z3E7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 802 aa.

						>A0A077Z3E7_TRITR|A0A077Z3E7
MTEATRPPPPAVMQSNVVNKLINQLLVGNGGDFAKNFQDEADTPELNYTVMLRRSEYWDWSTIRPKGSVKDEEDARAFLADYENEAANVYYLSTEAGWQFLTNMTEARRKNLVEFEETTVEFLRVTARRAQQYDAQAISDQLCRKMLKKLSKEGIHALSAESFKNMKGIQARMGQIFADGAVCEPTRPPPCTMPLEPDLARIMATSTDINQLYYVWLAWRNAVGPQMRPEYLALASVLNEVARLNGFSHGGEIWQSTYGEETDLMQMLEKLYDEVRPMYDQLHAYVRGQLRRQYPSFVHKDGPIPAHLLVSSWVRAEKRKSLNVIRSGDMSGSNWINLYDKTVPFPNAKPLDITAYLQRQNFTVDKMVRTAESFYTSLGFDKLPDNFWKNSIFVRPMDRDLVCFPTAFDFKNGQDFRLKLCLKVTHNDFLLVHREMANTFYQISFKSQPIALREAVNPAMRNALAGALALSVNTETFYKNTGIASDVTIGAESTINSMYDIALRQVASIPFGVLADKWRWQVYSGEAQANKLNQLWWSYREKYQGVQSPARRSELDFDPGSNFQIVTNAPYNEEVVGNVLQFQILKGLCETAGFQGPLHQCSLYGSKAVGDKLKRAMSLGSSRPWQEVLSALTGSSELSVAPMVEYMEPLIQWLVKKNAEGGDAIGWVEYTNYEDTQDEVYNLTVSLRPTHGDIRNKANSISDLEGVAFPGEDCSNGEHCLADSKCNGTVCICPKNTILWYQNCLPNDPSVVGFGPAGPAIRLDLIEGSENTQKPITSAHGTIIAATFFDEETLEKKANPVA
					

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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	25.7	Very low	22.6	Very low	239 Å²	239	128.1 Å²	128.1	100%	1.177	72%	0.722	S	S	*	*				0	93.9	0	-77.7	179.7	179.7	0	0	107.7
2	T	23	Very low	22.7	Very low	146 Å²	146	127.3 Å²	127.3	90%	0.896	72%	0.722	S	S	*	*			trans	29.6	83.3	163.5	59.3	0	0	0	0	118.7
3	E	20.8	Very low	23	Very low	201 Å²	201	122.9 Å²	122.9	94%	0.939	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-82.7	116.9	159.5	-96.3	178.3	152.8	0	0	109.9
4	A	21.6	Very low	23.3	Very low	95 Å²	95	116.1 Å²	116.1	79%	0.785	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-88.4	124.8	178.2	0	0	0	0	0	110.9	R6	A4-R6 PolarHBondContact O-N 3.26Å
5	T	22	Very low	23.5	Very low	142 Å²	142	111.5 Å²	111.5	87%	0.871	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-56.5	120.3	169.5	44.9	0	0	0	0	111.5
6	R	22.3	Very low	23.9	Very low	223 Å²	223	106.5 Å²	106.5	84%	0.842	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-95.6	133.5	175.7	-92.3	-176.6	178.5	-172.2	0.1	111.3	A4	A4-R6 PolarHBondContact O-N 3.26Å
7	P	22.6	Very low	24.3	Very low	82 Å²	82	100.9 Å²	100.9	53%	0.532	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-83.8	150.9	173.5	33.5	-31.8	0	0	0	111.9
8	P	22	Very low	24.7	Very low	116 Å²	116	96.3 Å²	96.3	75%	0.753	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-74	160.2	-172.6	31.4	-33.8	0	0	0	112.9
9	P	22.9	Very low	25.2	Very low	53 Å²	53	97.1 Å²	97.1	34%	0.344	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-92.6	160.7	-177.8	3.7	19.3	0	0	0	112.2	I325	P9-I325 VanDerWaalsContact CD-CD1 3.48Å; P9-I325 HydrophobicContact CG-CB 3.9Å; P9-I325 HydrophobicContact CG-CD1 3.62Å; P9-I325 HydrophobicContact CG-CG1 4.02Å
10	P	23	Very low	26	Very low	69 Å²	69	93.8 Å²	93.8	45%	0.448	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-84	127.5	-173.3	16.8	-2	0	0	0	111.9
11	A	22.7	Very low	26.2	Very low	43 Å²	43	91.7 Å²	91.7	36%	0.355	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-69.4	139.9	164.1	0	0	0	0	0	110	M13	A11-M13 PolarHBondContact O-N 2.74Å
12	V	23.6	Very low	26.5	Very low	119 Å²	119	81.1 Å²	81.1	72%	0.721	46%	0.462	S	S	*	.			trans	-59.6	96.9	173.5	178.6	0	0	0	0	107.9
13	M	26.7	Very low	27	Very low	70 Å²	70	77.6 Å²	77.6	35%	0.345	44%	0.438	S	S	.	.			trans	-115.1	152.3	173.5	-82.8	-149.9	-161.1	0	0	109.5	A11 V17 F404	A11-M13 PolarHBondContact O-N 2.74Å; M13-V17 HydrophobicContact CB-CB 4.17Å; M13-V17 HydrophobicContact CB-CG1 4.22Å; M13-V17 HydrophobicContact CB-CG2 3.92Å; M13-V17 HydrophobicContact CG-CG2 4.41Å; M13-V17 HydrophobicContact SD-CB 4.43Å; M13-V17 HydrophobicContact SD-CG1 3.78Å; M13-V17 HydrophobicContact SD-CG2 3.95Å; M13-F404 VanDerWaalsContact C-CE2 3.46Å; M13-F404 HydrophobicContact CB-CD2 4.21Å; M13-F404 HydrophobicContact CB-CE2 3.49Å; M13-F404 VanDerWaalsContact CB-CE2 3.49Å; M13-F404 HydrophobicContact CB-CZ 4.34Å; M13-F404 WeakPolarHBondContact O-CE2 3.47Å; M13-F404 WeakPolarHBondContact O-CZ 3.41Å
14	Q	26.7	Very low	27.5	Very low	28 Å²	28	72 Å²	72	13%	0.131	41%	0.412	C	S	.	.			trans	-75.6	152.7	-170.6	-61.9	166.3	-13	0	0	110.6	N16 V17 F404 E574	Q14-N16 HydrophobicContact CB-CB 4.25Å; Q14-N16 WeakPolarHBondContact CB-OD1 3.02Å; Q14-N16 PolarHBondContact O-N 2.79Å; Q14-N16 PolarHBondContact OE1-ND2 3.21Å; Q14-V17 HydrophobicContact CB-CG2 4.39Å; Q14-V17 WeakPolarHBondContact O-CA 3.46Å; Q14-V17 WeakPolarHBondContact O-CB 3.45Å; Q14-V17 WeakPolarHBondContact O-CG2 3.48Å; Q14-V17 PolarHBondContact O-N 3.41Å; Q14-F404 VanDerWaalsContact O-CZ 3.25Å; Q14-F404 WeakPolarHBondContact O-CZ 3.46Å; Q14-E574 PolarHBondContact NE2-OE2 2.81Å
15	S	26.4	Very low	27.9	Very low	47 Å²	47	70.1 Å²	70.1	33%	0.329	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-20.9	176.1	66.5	0	0	0	0	114.5	V17 V18 R461	S15-V17 PolarHBondContact O-N 2.88Å; S15-V18 PolarHBondContact O-N 2.81Å; S15-R461 PolarHBondContact OG-NH2 2.79Å
16	N	30.1	Very low	28.3	Very low	31 Å²	31	66 Å²	66	17%	0.166	36%	0.361	C	S	.	.	H	α-helix	trans	-65.1	-25.1	175.4	-30.3	14	0	0	0	110.4	Q14 V18 K20 E573	Q14-N16 HydrophobicContact CB-CB 4.25Å; Q14-N16 WeakPolarHBondContact CB-OD1 3.02Å; Q14-N16 PolarHBondContact O-N 2.79Å; Q14-N16 PolarHBondContact OE1-ND2 3.21Å; N16-V18 VanDerWaalsContact C-N 3.34Å; N16-K20 WeakPolarHBondContact O-CG 3.47Å; N16-K20 PolarHBondContact O-N 2.95Å; N16-E573 PolarHBondContact ND2-OE2 3.28Å; N16-E573 PolarHBondContact OD1-OE1 3.45Å; N16-E573 PolarHBondContact OD1-OE2 3.21Å
17	V	31.2	Very low	28.7	Very low	11 Å²	11	57.2 Å²	57.2	7%	0.067	33%	0.332	C	S	.	.	H	α-helix	trans	-74.7	-21.7	178.3	-179.1	0	0	0	0	111.2	M13 Q14 S15 K20 L21	M13-V17 HydrophobicContact CB-CB 4.17Å; M13-V17 HydrophobicContact CB-CG1 4.22Å; M13-V17 HydrophobicContact CB-CG2 3.92Å; M13-V17 HydrophobicContact CG-CG2 4.41Å; M13-V17 HydrophobicContact SD-CB 4.43Å; M13-V17 HydrophobicContact SD-CG1 3.78Å; M13-V17 HydrophobicContact SD-CG2 3.95Å; Q14-V17 HydrophobicContact CB-CG2 4.39Å; Q14-V17 WeakPolarHBondContact O-CA 3.46Å; Q14-V17 WeakPolarHBondContact O-CB 3.45Å; Q14-V17 WeakPolarHBondContact O-CG2 3.48Å; Q14-V17 PolarHBondContact O-N 3.41Å; S15-V17 PolarHBondContact O-N 2.88Å; V17-K20 CarbonylContact O-C 3.47Å; V17-K20 PolarHBondContact O-N 2.89Å; V17-K20 VanDerWaalsContact O-N 3.15Å; V17-L21 HydrophobicContact CG1-CD1 3.72Å; V17-L21 VanDerWaalsContact O-CB 3.28Å; V17-L21 WeakPolarHBondContact O-CB 3.28Å; V17-L21 PolarHBondContact O-N 2.77Å
18	V	31.3	Very low	28.8	Very low	18 Å²	18	55.1 Å²	55.1	11%	0.109	33%	0.325	C	S	.	.	H	α-helix	trans	-64.9	-49.5	174.4	-178.8	0	0	0	0	110.8	S15 N16 K20 L21 I22 L101 F404 T406	S15-V18 PolarHBondContact O-N 2.81Å; N16-V18 VanDerWaalsContact C-N 3.34Å; V18-K20 PolarHBondContact O-N 2.74Å; V18-L21 PolarHBondContact O-N 2.95Å; V18-I22 HydrophobicContact CG1-CD1 3.86Å; V18-I22 VanDerWaalsContact O-CB 3.29Å; V18-I22 WeakPolarHBondContact O-CB 3.04Å; V18-I22 WeakPolarHBondContact O-CD1 3.49Å; V18-I22 WeakPolarHBondContact O-CG1 3.28Å; V18-I22 PolarHBondContact O-N 3.1Å; V18-L101 HydrophobicContact CG1-CD1 4.32Å; V18-F404 HydrophobicContact CG2-CD1 3.29Å; V18-F404 HydrophobicContact CG2-CE1 3.37Å; V18-F404 HydrophobicContact CG2-CG 4.44Å; V18-T406 HydrophobicContact CG2-CG2 4.13Å; V18-T406 WeakPolarHBondContact CG2-OG1 3.31Å
19	N	34.3	Very low	29	Very low	111 Å²	111	56.5 Å²	56.5	59%	0.594	33%	0.326	S	S	*	.	H	α-helix	trans	-65.4	-25.3	173.9	-71.1	-10	0	0	0	112	N23	N19-N23 VanDerWaalsContact O-CB 3.26Å; N19-N23 WeakPolarHBondContact O-CB 3.45Å; N19-N23 PolarHBondContact O-N 2.87Å; N19-N23 PolarHBondContact O-ND2 2.54Å
20	K	40.5	Very low	29.2	Very low	31 Å²	31	56.1 Å²	56.1	14%	0.135	33%	0.332	C	S	.	.	H	α-helix	trans	-83.7	-30.2	175.1	-69	175.1	171.2	-164.5	0	114.7	N16 V17 V18 N23 Q24 T567 A569	N16-K20 WeakPolarHBondContact O-CG 3.47Å; N16-K20 PolarHBondContact O-N 2.95Å; V17-K20 CarbonylContact O-C 3.47Å; V17-K20 PolarHBondContact O-N 2.89Å; V17-K20 VanDerWaalsContact O-N 3.15Å; V18-K20 PolarHBondContact O-N 2.74Å; K20-N23 CarbonylContact O-C 3.44Å; K20-N23 PolarHBondContact O-N 3.23Å; K20-Q24 WeakPolarHBondContact O-CB 3.42Å; K20-Q24 VanDerWaalsContact O-CG 3.3Å; K20-Q24 WeakPolarHBondContact O-CG 3.33Å; K20-Q24 PolarHBondContact O-N 2.95Å; K20-T567 WeakPolarHBondContact CE-O 3.28Å; K20-T567 VanDerWaalsContact NZ-CB 3.28Å; K20-T567 PolarHBondContact NZ-O 3.03Å; K20-T567 PolarHBondContact NZ-OG1 3.35Å; K20-A569 VanDerWaalsContact NZ-CA 3.3Å
21	L	31.3	Very low	29.2	Very low	51 Å²	51	55.5 Å²	55.5	27%	0.267	34%	0.338	S	S	.	.	H	α-helix	trans	-74.6	-39.3	173.7	-132.3	107.6	0	0	0	108.4	V17 V18 Q24 L25 V402	V17-L21 HydrophobicContact CG1-CD1 3.72Å; V17-L21 VanDerWaalsContact O-CB 3.28Å; V17-L21 WeakPolarHBondContact O-CB 3.28Å; V17-L21 PolarHBondContact O-N 2.77Å; V18-L21 PolarHBondContact O-N 2.95Å; L21-Q24 PolarHBondContact O-N 2.84Å; L21-L25 VanDerWaalsContact O-CB 3.3Å; L21-L25 WeakPolarHBondContact O-CB 3.08Å; L21-L25 WeakPolarHBondContact O-CD1 3.47Å; L21-L25 WeakPolarHBondContact O-CG 3.29Å; L21-L25 PolarHBondContact O-N 3.3Å; L21-V402 HydrophobicContact CD2-CB 4.48Å; L21-V402 HydrophobicContact CD2-CG1 3.54Å; L21-V402 HydrophobicContact CD2-CG2 4.1Å
22	I	32.3	Very low	29.5	Very low	16 Å²	16	60.2 Å²	60.2	8%	0.082	36%	0.357	C	S	.	.	H	α-helix	trans	-58.8	-52.1	166.2	-67.8	167.6	0	0	0	108.8	V18 Q24 L25 L26 L101 E116	V18-I22 HydrophobicContact CG1-CD1 3.86Å; V18-I22 VanDerWaalsContact O-CB 3.29Å; V18-I22 WeakPolarHBondContact O-CB 3.04Å; V18-I22 WeakPolarHBondContact O-CD1 3.49Å; V18-I22 WeakPolarHBondContact O-CG1 3.28Å; V18-I22 PolarHBondContact O-N 3.1Å; I22-Q24 PolarHBondContact O-N 2.7Å; I22-L25 CarbonylContact O-C 3.46Å; I22-L25 WeakPolarHBondContact O-CA 3.25Å; I22-L25 WeakPolarHBondContact O-CB 3.47Å; I22-L25 PolarHBondContact O-N 3.08Å; I22-L26 HydrophobicContact CG2-CD1 3.59Å; I22-L26 HydrophobicContact CG2-CG 4.16Å; I22-L26 WeakPolarHBondContact O-CB 3.24Å; I22-L26 WeakPolarHBondContact O-CG 3.33Å; I22-L26 PolarHBondContact O-N 3.43Å; I22-L101 HydrophobicContact CD1-CD1 4.27Å; I22-L101 HydrophobicContact CG1-CD2 4.14Å; I22-E116 WeakPolarHBondContact CG2-OE1 3.14Å
23	N	32.8	Very low	29.8	Very low	72 Å²	72	62.6 Å²	62.6	39%	0.385	36%	0.358	S	S	.	.	H	α-helix	trans	-60.5	-38.3	175	-77.1	-34.3	0	0	0	113.3	N19 K20 L25 L26 V27	N19-N23 VanDerWaalsContact O-CB 3.26Å; N19-N23 WeakPolarHBondContact O-CB 3.45Å; N19-N23 PolarHBondContact O-N 2.87Å; N19-N23 PolarHBondContact O-ND2 2.54Å; K20-N23 CarbonylContact O-C 3.44Å; K20-N23 PolarHBondContact O-N 3.23Å; N23-L25 VanDerWaalsContact C-N 3.32Å; N23-L25 PolarHBondContact O-N 3.14Å; N23-L26 CarbonylContact O-C 3.27Å; N23-L26 PolarHBondContact O-N 3.16Å; N23-L26 VanDerWaalsContact O-N 3.11Å; N23-V27 WeakPolarHBondContact O-CA 3.12Å; N23-V27 WeakPolarHBondContact O-CB 3.43Å; N23-V27 WeakPolarHBondContact O-CG2 3.44Å; N23-V27 PolarHBondContact O-N 3.48Å
24	Q	30.3	Very low	29.7	Very low	85 Å²	85	62.2 Å²	62.2	40%	0.397	37%	0.366	S	S	.	.	H	α-helix	trans	-64.1	-37.1	173.8	-81.8	179.2	-49.8	0	0	111.8	K20 L21 I22 L26 G28 F563	K20-Q24 WeakPolarHBondContact O-CB 3.42Å; K20-Q24 VanDerWaalsContact O-CG 3.3Å; K20-Q24 WeakPolarHBondContact O-CG 3.33Å; K20-Q24 PolarHBondContact O-N 2.95Å; L21-Q24 PolarHBondContact O-N 2.84Å; I22-Q24 PolarHBondContact O-N 2.7Å; Q24-L26 VanDerWaalsContact C-N 3.29Å; Q24-G28 PolarHBondContact O-N 2.61Å; Q24-F563 VanDerWaalsContact NE2-CZ 3.29Å
25	L	30.6	Very low	29.8	Very low	54 Å²	54	67 Å²	67	28%	0.283	39%	0.386	S	S	.	.	H	α-helix	trans	-69.7	-26.1	172.3	-73.3	161.6	0	0	0	112.7	L21 I22 N23 F100 M104 V402	L21-L25 VanDerWaalsContact O-CB 3.3Å; L21-L25 WeakPolarHBondContact O-CB 3.08Å; L21-L25 WeakPolarHBondContact O-CD1 3.47Å; L21-L25 WeakPolarHBondContact O-CG 3.29Å; L21-L25 PolarHBondContact O-N 3.3Å; I22-L25 CarbonylContact O-C 3.46Å; I22-L25 WeakPolarHBondContact O-CA 3.25Å; I22-L25 WeakPolarHBondContact O-CB 3.47Å; I22-L25 PolarHBondContact O-N 3.08Å; N23-L25 VanDerWaalsContact C-N 3.32Å; N23-L25 PolarHBondContact O-N 3.14Å; L25-F100 HydrophobicContact CB-CE1 4.48Å; L25-F100 HydrophobicContact CD1-CE1 3.81Å; L25-F100 HydrophobicContact CD1-CZ 4.15Å; L25-M104 HydrophobicContact CD1-CE 4Å; L25-M104 HydrophobicContact CD2-CE 3.53Å; L25-M104 HydrophobicContact CG-CE 4.45Å; L25-V402 HydrophobicContact CD1-CG2 4.27Å
26	L	31.3	Very low	29.8	Very low	57 Å²	57	71 Å²	71	30%	0.298	40%	0.404	S	S	.	.	H	α-helix	trans	-89.5	-22.6	178.3	-66.6	171.1	0	0	0	113.4	I22 N23 Q24 V113 E116	I22-L26 HydrophobicContact CG2-CD1 3.59Å; I22-L26 HydrophobicContact CG2-CG 4.16Å; I22-L26 WeakPolarHBondContact O-CB 3.24Å; I22-L26 WeakPolarHBondContact O-CG 3.33Å; I22-L26 PolarHBondContact O-N 3.43Å; N23-L26 CarbonylContact O-C 3.27Å; N23-L26 PolarHBondContact O-N 3.16Å; N23-L26 VanDerWaalsContact O-N 3.11Å; Q24-L26 VanDerWaalsContact C-N 3.29Å; L26-V113 HydrophobicContact CD2-CG2 3.56Å; L26-E116 VanDerWaalsContact CD1-OE2 3.23Å; L26-E116 WeakPolarHBondContact CD1-OE2 3.37Å
27	V	30.1	Very low	29.8	Very low	37 Å²	37	76 Å²	76	22%	0.224	42%	0.424	C	S	.	.	H	α-helix	trans	-111.3	-23.2	-168.7	172.6	0	0	0	0	112.3	N23 N29 A171	N23-V27 WeakPolarHBondContact O-CA 3.12Å; N23-V27 WeakPolarHBondContact O-CB 3.43Å; N23-V27 WeakPolarHBondContact O-CG2 3.44Å; N23-V27 PolarHBondContact O-N 3.48Å; V27-N29 PolarHBondContact O-N 3.48Å; V27-A171 HydrophobicContact CG1-CB 3.43Å; V27-A171 VanDerWaalsContact CG1-CB 3.43Å
28	G	23.8	Very low	29.7	Very low	38 Å²	38	84.1 Å²	84.1	39%	0.392	46%	0.462	S	S	.	.	S	Bend	trans	-69.6	121	167.5	0	0	0	0	0	109.9	Q24 G30	Q24-G28 PolarHBondContact O-N 2.61Å; G28-G30 PolarHBondContact O-N 3.05Å
29	N	27.4	Very low	29.5	Very low	146 Å²	146	91.2 Å²	91.2	78%	0.781	50%	0.499	S	S	*	.			trans	-42.8	128.2	162.8	-87.6	-29.1	0	0	0	108.8	V27 G31	V27-N29 PolarHBondContact O-N 3.48Å; N29-G31 PolarHBondContact O-N 3.27Å
30	G	26.1	Very low	29.3	Very low	45 Å²	45	95.2 Å²	95.2	46%	0.464	51%	0.514	S	S	.	.			trans	-64.4	55.6	160.5	0	0	0	0	0	111.3	G28 D32	G28-G30 PolarHBondContact O-N 3.05Å; G30-D32 PolarHBondContact O-N 3.05Å
31	G	23.9	Very low	28.8	Very low	56 Å²	56	98 Å²	98	58%	0.577	54%	0.543	S	S	*	.	S	Bend	trans	-70.9	111	158.6	0	0	0	0	0	107	N29 F33	N29-G31 PolarHBondContact O-N 3.27Å; G31-F33 PolarHBondContact O-N 2.88Å
32	D	29.1	Very low	28.7	Very low	141 Å²	141	103 Å²	103	75%	0.754	57%	0.57	S	S	*	*	S	Bend	trans	72.6	10.5	176.2	-75.7	-13.2	0	0	0	120.4	G30	G30-D32 PolarHBondContact O-N 3.05Å
33	F	29	Very low	28.6	Very low	170 Å²	170	108.4 Å²	108.4	75%	0.746	60%	0.604	S	S	*	*	S	Bend	trans	-96.5	6.2	165.8	-82	-81.3	0	0	0	114.9	G31	G31-F33 PolarHBondContact O-N 2.88Å
34	A	25.8	Very low	28.5	Very low	61 Å²	61	110 Å²	110	50%	0.504	62%	0.618	S	S	.	*	S	Bend	trans	-114.5	20.1	-172.7	0	0	0	0	0	115.3
35	K	28.2	Very low	28.7	Very low	129 Å²	129	115 Å²	115	56%	0.561	64%	0.641	S	S	*	*	S	Bend	trans	-133.9	5.7	-176.1	-83.4	-168.4	176.6	-179.1	0	119.1	F754	K35-F754 HydrophobicContact CB-CE1 4.07Å; K35-F754 HydrophobicContact CD-CD1 4.07Å; K35-F754 HydrophobicContact CD-CE1 4.22Å
36	N	25.7	Very low	29	Very low	131 Å²	131	115.5 Å²	115.5	70%	0.701	64%	0.644	S	S	*	*			trans	-137.3	49.4	178.3	-82.4	-26.6	0	0	0	114.3
37	F	30.6	Very low	29.4	Very low	135 Å²	135	117.9 Å²	117.9	59%	0.592	66%	0.657	S	S	*	*			trans	-118.3	101	166	-65.9	-72	0	0	0	108.8
38	Q	28.8	Very low	30	Very low	183 Å²	183	120.1 Å²	120.1	86%	0.855	66%	0.662	S	S	*	*			trans	-67.7	136.7	164.9	-79.2	-175.3	-24.7	0	0	108.7	E40	Q38-E40 PolarHBondContact O-N 2.8Å; Q38-E40 VanDerWaalsContact O-N 3.1Å
39	D	27.2	Very low	31.1	Very low	167 Å²	167	120.9 Å²	120.9	89%	0.893	66%	0.659	S	S	*	*			trans	-52.1	108.5	172.5	-69.2	-48.9	0	0	0	110.6
40	E	30.5	Very low	31.9	Very low	195 Å²	195	119.1 Å²	119.1	91%	0.911	65%	0.653	S	S	*	*			trans	-124.4	125.8	154.3	-83.7	-166.9	162.2	0	0	111.3	Q38	Q38-E40 PolarHBondContact O-N 2.8Å; Q38-E40 VanDerWaalsContact O-N 3.1Å
41	A	29.8	Very low	32.9	Very low	88 Å²	88	123 Å²	123	73%	0.727	66%	0.661	S	S	*	*			trans	-49.9	158.8	-170.5	0	0	0	0	0	118.4
42	D	29.5	Very low	34.5	Very low	156 Å²	156	121 Å²	121	83%	0.834	64%	0.637	S	S	*	*			trans	85.4	80.9	151.5	-63.9	-19.4	0	0	0	119
43	T	30.5	Very low	35.6	Very low	131 Å²	131	125 Å²	125	80%	0.804	64%	0.642	S	S	*	*				-147.7	139.6	128.9	-2.1	0	0	0	0	109	E45	T43-E45 PolarHBondContact O-N 2.82Å
44	P	30.9	Very low	37.3	Very low	105 Å²	105	125.2 Å²	125.2	68%	0.682	64%	0.638	S	S	*	*			trans	-63.1	129.1	-176.1	2.8	6.5	0	0	0	109.4	L46	P44-L46 HydrophobicContact CB-CD1 4.41Å; P44-L46 PolarHBondContact O-N 3.33Å
45	E	34.5	Very low	40	Very low	190 Å²	190	124.3 Å²	124.3	89%	0.888	63%	0.627	S	S	*	*			trans	-59	81.9	162.1	-73.9	-174.5	145.4	0	0	108.4	T43 N47	T43-E45 PolarHBondContact O-N 2.82Å; E45-N47 PolarHBondContact O-N 2.71Å
46	L	35.6	Very low	42.7	Very low	65 Å²	65	125.3 Å²	125.3	34%	0.34	63%	0.634	S	S	.	*			trans	-72.8	110.1	161.1	-102.8	107.3	0	0	0	106.2	P44 Y48 M51	P44-L46 HydrophobicContact CB-CD1 4.41Å; P44-L46 PolarHBondContact O-N 3.33Å; L46-Y48 HydrophobicContact CB-CD1 4.19Å; L46-Y48 HydrophobicContact CB-CD2 3.5Å; L46-Y48 HydrophobicContact CB-CE1 3.89Å; L46-Y48 HydrophobicContact CB-CE2 3.14Å; L46-Y48 HydrophobicContact CB-CG 4.01Å; L46-Y48 HydrophobicContact CD2-CD1 4.02Å; L46-Y48 HydrophobicContact CD2-CE1 3.46Å; L46-Y48 VanDerWaalsContact CD2-CE1 3.46Å; L46-Y48 HydrophobicContact CD2-CE2 4.31Å; L46-Y48 HydrophobicContact CG-CE1 4.21Å; L46-Y48 HydrophobicContact CG-CE2 4.18Å; L46-Y48 WeakPolarHBondContact O-CD2 3.2Å; L46-Y48 PolarHBondContact O-N 2.76Å; L46-M51 HydrophobicContact CD2-CE 3.48Å; L46-M51 VanDerWaalsContact CD2-CE 3.48Å; L46-M51 HydrophobicContact CD2-SD 3.55Å; L46-M51 VanDerWaalsContact CD2-SD 3.55Å
47	N	40.4	Very low	45.7	Very low	107 Å²	107	119.7 Å²	119.7	57%	0.572	60%	0.603	S	S	*	*			trans	-67.1	78.2	168.6	-151.7	0.4	0	0	0	108	E45 T49 V50	E45-N47 PolarHBondContact O-N 2.71Å; N47-T49 PolarHBondContact O-N 3.34Å; N47-V50 HydrophobicContact CB-CG2 4.45Å; N47-V50 WeakPolarHBondContact O-CB 3.21Å; N47-V50 PolarHBondContact O-N 3.23Å
48	Y	42.7	Very low	48.6	Very low	84 Å²	84	113.9 Å²	113.9	33%	0.329	58%	0.577	S	S	.	*	G	3₁₀ helix	trans	-72.6	-22.9	-166.9	-80.7	-76.3	0	0	0	113.5	L46 V50 M51 L52 F115	L46-Y48 HydrophobicContact CB-CD1 4.19Å; L46-Y48 HydrophobicContact CB-CD2 3.5Å; L46-Y48 HydrophobicContact CB-CE1 3.89Å; L46-Y48 HydrophobicContact CB-CE2 3.14Å; L46-Y48 HydrophobicContact CB-CG 4.01Å; L46-Y48 HydrophobicContact CD2-CD1 4.02Å; L46-Y48 HydrophobicContact CD2-CE1 3.46Å; L46-Y48 VanDerWaalsContact CD2-CE1 3.46Å; L46-Y48 HydrophobicContact CD2-CE2 4.31Å; L46-Y48 HydrophobicContact CG-CE1 4.21Å; L46-Y48 HydrophobicContact CG-CE2 4.18Å; L46-Y48 WeakPolarHBondContact O-CD2 3.2Å; L46-Y48 PolarHBondContact O-N 2.76Å; Y48-V50 PolarHBondContact O-N 3.33Å; Y48-M51 HydrophobicContact CD1-CB 4.49Å; Y48-M51 HydrophobicContact CD1-SD 4.35Å; Y48-M51 HydrophobicContact CE1-SD 4.44Å; Y48-M51 WeakPolarHBondContact O-CA 3.26Å; Y48-M51 WeakPolarHBondContact O-CB 3.39Å; Y48-M51 PolarHBondContact O-N 3.35Å; Y48-L52 PolarHBondContact O-N 3.07Å; Y48-F115 HydrophobicContact CD2-CZ 4.43Å; Y48-F115 HydrophobicContact CG-CZ 4.03Å
49	T	46.1	Very low	51.4	Low	54 Å²	54	108.5 Å²	108.5	33%	0.331	55%	0.554	S	S	.	*	G	3₁₀ helix	trans	-60.1	-26.2	170.2	36.1	0	0	0	0	112.9	N47 E114	N47-T49 PolarHBondContact O-N 3.34Å; T49-E114 VanDerWaalsContact CB-OE1 3.24Å; T49-E114 WeakPolarHBondContact CB-OE1 3.39Å; T49-E114 HydrophobicContact CG2-CG 3.52Å; T49-E114 WeakPolarHBondContact CG2-OE1 3.17Å; T49-E114 PolarHBondContact OG1-OE1 3.49Å
50	V	46.2	Very low	54.3	Low	108 Å²	108	105.5 Å²	105.5	66%	0.655	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-78.4	-20.1	172.7	-176	0	0	0	0	111.9	N47 Y48	N47-V50 HydrophobicContact CB-CG2 4.45Å; N47-V50 WeakPolarHBondContact O-CB 3.21Å; N47-V50 PolarHBondContact O-N 3.23Å; Y48-V50 PolarHBondContact O-N 3.33Å
51	M	46.7	Very low	57	Low	128 Å²	128	100.9 Å²	100.9	63%	0.631	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-19.7	-178.9	-82.8	-151.5	168.1	0	0	115	L46 Y48 R53	L46-M51 HydrophobicContact CD2-CE 3.48Å; L46-M51 VanDerWaalsContact CD2-CE 3.48Å; L46-M51 HydrophobicContact CD2-SD 3.55Å; L46-M51 VanDerWaalsContact CD2-SD 3.55Å; Y48-M51 HydrophobicContact CD1-CB 4.49Å; Y48-M51 HydrophobicContact CD1-SD 4.35Å; Y48-M51 HydrophobicContact CE1-SD 4.44Å; Y48-M51 WeakPolarHBondContact O-CA 3.26Å; Y48-M51 WeakPolarHBondContact O-CB 3.39Å; Y48-M51 PolarHBondContact O-N 3.35Å; M51-R53 PolarHBondContact O-N 3.43Å
52	L	56.1	Low	59.9	Low	13 Å²	13	98.8 Å²	98.8	7%	0.068	50%	0.498	C	S	.	.	S	Bend	trans	-69.9	90.5	160.8	-79.6	161.2	0	0	0	107	Y48 R54 N88 V89 L92 T118	Y48-L52 PolarHBondContact O-N 3.07Å; L52-R54 VanDerWaalsContact C-N 3.34Å; L52-R54 PolarHBondContact O-N 3.28Å; L52-N88 VanDerWaalsContact CD2-ND2 3.28Å; L52-N88 WeakPolarHBondContact CD2-ND2 3.08Å; L52-V89 HydrophobicContact CD2-CG2 4.22Å; L52-L92 HydrophobicContact CD2-CD1 4.49Å; L52-L92 HydrophobicContact CG-CD1 4.42Å; L52-T118 HydrophobicContact CD1-CG2 3.45Å; L52-T118 VanDerWaalsContact CD1-CG2 3.45Å
53	R	52.8	Low	62.9	Low	226 Å²	226	93.1 Å²	93.1	85%	0.853	47%	0.467	S	S	*	.			trans	-52.8	104.1	167.8	-79	-173.9	-177.8	-176.8	1.4	106.4	M51 S55	M51-R53 PolarHBondContact O-N 3.43Å; R53-S55 VanDerWaalsContact C-N 3.25Å; R53-S55 PolarHBondContact O-N 3.14Å
54	R	65.9	Low	66	Low	174 Å²	174	93 Å²	93	66%	0.657	45%	0.452	S	S	*	.			trans	-57.9	93.5	176.4	-74.7	-177	170.2	-156	-14.1	107.7	L52 W58 E121	L52-R54 VanDerWaalsContact C-N 3.34Å; L52-R54 PolarHBondContact O-N 3.28Å; R54-W58 HydrophobicContact CB-CB 4.25Å; R54-W58 HydrophobicContact CG-CB 4.39Å; R54-E121 IonicContact CZ-OE1 3.88Å; R54-E121 IonicContact NH2-OE1 3.08Å; R54-E121 PolarHBondContact NH2-OE1 3.42Å; R54-E121 VanDerWaalsContact NH2-OE1 3.14Å; R54-E121 IonicContact NH2-OE2 3.55Å; R54-E121 PolarHBondContact NH2-OE2 2.91Å; R54-E121 VanDerWaalsContact NH2-OE2 3.08Å
55	S	81.4	Confident	69	Low	41 Å²	41	92.8 Å²	92.8	29%	0.287	45%	0.45	S	S	.	.			trans	-66.3	170.1	174	63.4	0	0	0	0	108.9	R53 Y57 W58 E85	R53-S55 VanDerWaalsContact C-N 3.25Å; R53-S55 PolarHBondContact O-N 3.14Å; S55-Y57 PolarHBondContact O-N 3.38Å; S55-Y57 VanDerWaalsContact OG-CB 3.28Å; S55-Y57 WeakPolarHBondContact OG-CB 3.48Å; S55-Y57 PolarHBondContact OG-N 2.71Å; S55-W58 PolarHBondContact O-N 2.92Å; S55-E85 WeakPolarHBondContact CB-OE1 3.47Å; S55-E85 VanDerWaalsContact OG-CD 3.31Å; S55-E85 PolarHBondContact OG-OE1 3.24Å
56	E	84.9	Confident	71.8	Confident	151 Å²	151	91.7 Å²	91.7	71%	0.706	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-55.1	-24.2	173.9	-169.4	175.8	173.1	0	0	112	W58 D59 T62 R129	E56-W58 PolarHBondContact O-N 2.94Å; E56-W58 VanDerWaalsContact O-N 3.16Å; E56-D59 WeakPolarHBondContact O-CB 3.11Å; E56-D59 PolarHBondContact O-N 2.91Å; E56-T62 HydrophobicContact CG-CG2 4.38Å; E56-R129 PolarHBondContact O-NH2 2.84Å
57	Y	89.8	Confident	74.7	Confident	12 Å²	12	90 Å²	90	5%	0.047	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-53.6	-34.1	173.1	-166.6	-88.4	0	0	0	112.9	S55 D59 F78 D81 E85 F122 V125 T126 R129	S55-Y57 PolarHBondContact O-N 3.38Å; S55-Y57 VanDerWaalsContact OG-CB 3.28Å; S55-Y57 WeakPolarHBondContact OG-CB 3.48Å; S55-Y57 PolarHBondContact OG-N 2.71Å; Y57-D59 VanDerWaalsContact C-N 3.33Å; Y57-D59 PolarHBondContact O-N 2.73Å; Y57-F78 HydrophobicContact CE2-CD2 4.05Å; Y57-F78 AromaticContact CE2-CE2 3.81Å; Y57-F78 HydrophobicContact CE2-CE2 3.81Å; Y57-F78 AromaticContact CZ-CE2 3.99Å; Y57-F78 WeakPolarHBondContact OH-CE2 3.42Å; Y57-D81 HydrophobicContact CD2-CB 3.91Å; Y57-D81 HydrophobicContact CE2-CB 4.22Å; Y57-E85 HydrophobicContact CD1-CB 4.43Å; Y57-E85 HydrophobicContact CD1-CG 4.1Å; Y57-E85 HydrophobicContact CD2-CG 4.31Å; Y57-E85 HydrophobicContact CG-CG 3.89Å; Y57-F122 HydrophobicContact CD1-CE2 4.24Å; Y57-F122 HydrophobicContact CE1-CD2 4.05Å; Y57-F122 AromaticContact CE1-CE2 3.54Å; Y57-F122 HydrophobicContact CE1-CE2 3.54Å; Y57-F122 HydrophobicContact CE1-CZ 4.46Å; Y57-V125 HydrophobicContact CD1-CG1 4.2Å; Y57-V125 HydrophobicContact CE1-CG1 4.1Å; Y57-V125 WeakPolarHBondContact O-CG1 3.43Å; Y57-T126 PolarHBondContact OH-OG1 2.95Å; Y57-R129 VanDerWaalsContact C-NH2 3.33Å; Y57-R129 PolarHBondContact O-NE 2.94Å; Y57-R129 PolarHBondContact O-NH2 3.34Å
58	W	89.7	Confident	77.3	Confident	14 Å²	14	87.9 Å²	87.9	5%	0.053	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-84.8	-6.4	-177.1	-63.2	81.1	0	0	0	113.5	R54 S55 E56 W60 E85 V89 T118 E121 F122	R54-W58 HydrophobicContact CB-CB 4.25Å; R54-W58 HydrophobicContact CG-CB 4.39Å; S55-W58 PolarHBondContact O-N 2.92Å; E56-W58 PolarHBondContact O-N 2.94Å; E56-W58 VanDerWaalsContact O-N 3.16Å; W58-W60 PolarHBondContact O-N 2.97Å; W58-E85 PolarHBondContact NE1-OE2 3.44Å; W58-V89 HydrophobicContact CH2-CG2 3.99Å; W58-V89 HydrophobicContact CZ2-CG2 3.66Å; W58-T118 HydrophobicContact CH2-CG2 4.09Å; W58-E121 HydrophobicContact CE3-CG 4.34Å; W58-E121 HydrophobicContact CZ3-CB 4.27Å; W58-E121 HydrophobicContact CZ3-CG 4.14Å; W58-F122 HydrophobicContact CH2-CB 3.55Å; W58-F122 AromaticContact CH2-CD2 3.94Å; W58-F122 HydrophobicContact CH2-CD2 3.94Å; W58-F122 HydrophobicContact CH2-CG 4.18Å; W58-F122 HydrophobicContact CZ2-CB 4.33Å; W58-F122 AromaticContact CZ2-CD2 3.86Å; W58-F122 HydrophobicContact CZ2-CD2 3.86Å; W58-F122 HydrophobicContact CZ2-CG 4.5Å; W58-F122 HydrophobicContact CZ3-CB 3.9Å
59	D	88.8	Confident	79.9	Confident	69 Å²	69	84.2 Å²	84.2	37%	0.369	42%	0.421	S	S	.	.			trans	-80.4	106.1	-178	-172.1	-3.6	0	0	0	112.5	E56 Y57 S61 T62 R129	E56-D59 WeakPolarHBondContact O-CB 3.11Å; E56-D59 PolarHBondContact O-N 2.91Å; Y57-D59 VanDerWaalsContact C-N 3.33Å; Y57-D59 PolarHBondContact O-N 2.73Å; D59-S61 PolarHBondContact O-N 3.45Å; D59-S61 VanDerWaalsContact OD1-CB 3.28Å; D59-S61 WeakPolarHBondContact OD1-CB 3.14Å; D59-S61 PolarHBondContact OD1-N 3.41Å; D59-S61 PolarHBondContact OD1-OG 3.46Å; D59-S61 PolarHBondContact OD2-OG 3.3Å; D59-T62 HydrophobicContact CB-CG2 4.08Å; D59-T62 PolarHBondContact O-N 2.89Å; D59-T62 PolarHBondContact O-OG1 3.18Å; D59-R129 PolarHBondContact O-NH2 3.46Å
60	W	87.1	Confident	82.3	Confident	105 Å²	105	88.3 Å²	88.3	40%	0.398	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-58.3	-28.1	176.2	-73	84.4	0	0	0	113.7	W58 T62 I63 R124 V125 R128	W58-W60 PolarHBondContact O-N 2.97Å; W60-T62 PolarHBondContact O-N 2.94Å; W60-I63 HydrophobicContact CE3-CD1 4.06Å; W60-I63 WeakPolarHBondContact O-CG1 3.38Å; W60-I63 PolarHBondContact O-N 2.9Å; W60-R124 HydrophobicContact CH2-CB 3.89Å; W60-R124 HydrophobicContact CZ2-CB 4.05Å; W60-V125 HydrophobicContact CD2-CG2 4.07Å; W60-V125 HydrophobicContact CG-CG2 4.45Å; W60-V125 HydrophobicContact CH2-CG2 4.36Å; W60-V125 HydrophobicContact CZ2-CB 4.48Å; W60-V125 HydrophobicContact CZ2-CG2 3.48Å; W60-V125 VanDerWaalsContact CZ2-CG2 3.48Å; W60-V125 VanDerWaalsContact NE1-CG2 3.28Å; W60-R128 HydrophobicContact CH2-CG 4.18Å; W60-R128 HydrophobicContact CZ3-CB 4.24Å; W60-R128 HydrophobicContact CZ3-CG 3.76Å
61	S	88.5	Confident	84.6	Confident	97 Å²	97	87.5 Å²	87.5	68%	0.678	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-71.1	-21	-175.3	76.2	0	0	0	0	113.5	D59 I63	D59-S61 PolarHBondContact O-N 3.45Å; D59-S61 VanDerWaalsContact OD1-CB 3.28Å; D59-S61 WeakPolarHBondContact OD1-CB 3.14Å; D59-S61 PolarHBondContact OD1-N 3.41Å; D59-S61 PolarHBondContact OD1-OG 3.46Å; D59-S61 PolarHBondContact OD2-OG 3.3Å; S61-I63 VanDerWaalsContact C-N 3.34Å
62	T	90.2	Very high	86.9	Confident	44 Å²	44	83.2 Å²	83.2	27%	0.27	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-82.3	-10.8	178.7	64.6	0	0	0	0	113.7	E56 D59 W60 R64 R129	E56-T62 HydrophobicContact CG-CG2 4.38Å; D59-T62 HydrophobicContact CB-CG2 4.08Å; D59-T62 PolarHBondContact O-N 2.89Å; D59-T62 PolarHBondContact O-OG1 3.18Å; W60-T62 PolarHBondContact O-N 2.94Å; T62-R64 PolarHBondContact O-N 2.99Å; T62-R129 PolarHBondContact OG1-NH1 3.06Å; T62-R129 PolarHBondContact OG1-NH2 3.49Å
63	I	92.4	Very high	88.8	Confident	38 Å²	38	89 Å²	89	20%	0.195	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-73.5	124.9	-175.4	-56.7	-178.8	0	0	0	110	W60 S61 R128 R129	W60-I63 HydrophobicContact CE3-CD1 4.06Å; W60-I63 WeakPolarHBondContact O-CG1 3.38Å; W60-I63 PolarHBondContact O-N 2.9Å; S61-I63 VanDerWaalsContact C-N 3.34Å; I63-R128 HydrophobicContact CD1-CB 3.78Å; I63-R128 HydrophobicContact CG2-CB 4.34Å; I63-R129 HydrophobicContact CD1-CG 3.95Å; I63-R129 HydrophobicContact CG1-CG 3.85Å
64	R	94.9	Very high	90.9	Very high	128 Å²	128	80.5 Å²	80.5	48%	0.483	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-84.9	162.4	-179.7	-60.7	178.8	-171.5	157.5	6.6	111.5	T62 S68 V69 Q132	T62-R64 PolarHBondContact O-N 2.99Å; R64-S68 WeakPolarHBondContact CB-OG 3.35Å; R64-V69 HydrophobicContact CB-CG2 4.22Å; R64-V69 HydrophobicContact CG-CG2 4.5Å; R64-Q132 HydrophobicContact CB-CB 4.23Å; R64-Q132 VanDerWaalsContact N-OE1 3.11Å; R64-Q132 WeakPolarHBondContact O-CB 3.44Å
65	P	94.9	Very high	92.3	Very high	100 Å²	100	72.2 Å²	72.2	65%	0.649	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-55.6	148.8	178.2	-26	35	0	0	0	113.3	G67 S68	P65-G67 PolarHBondContact O-N 3.37Å; P65-S68 WeakPolarHBondContact O-CB 3.34Å; P65-S68 PolarHBondContact O-N 2.93Å; P65-S68 VanDerWaalsContact O-N 3.08Å; P65-S68 PolarHBondContact O-OG 3.5Å
66	K	93.8	Very high	93	Very high	168 Å²	168	75.4 Å²	75.4	73%	0.73	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	128.4	-179.2	-178.6	175.5	-178.8	177.3	0	111.8	S68 Q131	K66-S68 PolarHBondContact O-N 3.31Å; K66-Q131 CarbonylContact C-O 3.35Å; K66-Q131 VanDerWaalsContact CA-O 3.24Å; K66-Q131 WeakPolarHBondContact CA-O 3.34Å; K66-Q131 HydrophobicContact CG-CB 4.23Å; K66-Q131 WeakPolarHBondContact CG-O 3.45Å
67	G	94.9	Very high	93.5	Very high	30 Å²	30	70.7 Å²	70.7	31%	0.309	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	14.9	179.5	0	0	0	0	0	115.5	P65 Q131 Q132	P65-G67 PolarHBondContact O-N 3.37Å; G67-Q131 PolarHBondContact N-O 2.85Å; G67-Q132 CarbonylContact C-O 3.47Å; G67-Q132 WeakPolarHBondContact CA-O 3.33Å; G67-Q132 PolarHBondContact N-O 3.09Å
68	S	96.6	Very high	93.8	Very high	61 Å²	61	70.6 Å²	70.6	43%	0.427	36%	0.364	S	S	.	.			trans	-80.9	-23.9	-179.5	63.5	0	0	0	0	113.8	R64 P65 K66 Q132	R64-S68 WeakPolarHBondContact CB-OG 3.35Å; P65-S68 WeakPolarHBondContact O-CB 3.34Å; P65-S68 PolarHBondContact O-N 2.93Å; P65-S68 VanDerWaalsContact O-N 3.08Å; P65-S68 PolarHBondContact O-OG 3.5Å; K66-S68 PolarHBondContact O-N 3.31Å; S68-Q132 PolarHBondContact N-O 2.97Å
69	V	96.6	Very high	94.1	Very high	8 Å²	8	70.6 Å²	70.6	5%	0.048	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-98.9	123.3	-177.4	-172.4	0	0	0	0	110.2	R64 D71 D74 Q132 Y133 D134	R64-V69 HydrophobicContact CB-CG2 4.22Å; R64-V69 HydrophobicContact CG-CG2 4.5Å; V69-D71 HydrophobicContact CG1-CB 4.35Å; V69-D74 HydrophobicContact CG1-CB 4.41Å; V69-Q132 HydrophobicContact CB-CG 4.33Å; V69-Q132 HydrophobicContact CG2-CB 4.41Å; V69-Q132 HydrophobicContact CG2-CG 3.85Å; V69-Q132 PolarHBondContact N-O 3.4Å; V69-Y133 HydrophobicContact CB-CD1 3.81Å; V69-Y133 HydrophobicContact CB-CE1 4.01Å; V69-Y133 HydrophobicContact CG1-CD1 3.67Å; V69-Y133 HydrophobicContact CG1-CE1 3.52Å; V69-Y133 CarbonylContact O-C 2.92Å; V69-Y133 WeakPolarHBondContact O-CA 3.24Å; V69-D134 PolarHBondContact O-N 3.31Å
70	K	95.7	Very high	94.4	Very high	139 Å²	139	69.8 Å²	69.8	60%	0.604	37%	0.368	S	S	*	.			trans	-113.6	-1.8	178.9	-61.5	-176.4	177.2	-177	0	113.3	E72 D134 A137	K70-E72 PolarHBondContact O-N 3.31Å; K70-D134 HydrophobicContact CG-CB 4.1Å; K70-A137 HydrophobicContact CB-CB 3.98Å; K70-A137 HydrophobicContact CD-CB 4.48Å; K70-A137 HydrophobicContact CG-CB 4.09Å
71	D	95.6	Very high	94.8	Very high	92 Å²	92	69 Å²	69	49%	0.492	37%	0.371	S	S	.	.			trans	-76.5	121.1	-177.9	-172.3	-14.7	0	0	0	110.3	V69 E73 D74 A75	V69-D71 HydrophobicContact CG1-CB 4.35Å; D71-E73 PolarHBondContact OD1-N 3.5Å; D71-D74 HydrophobicContact CB-CB 3.85Å; D71-D74 PolarHBondContact OD1-N 3.47Å; D71-A75 PolarHBondContact O-N 3.12Å
72	E	95.1	Very high	95.1	Very high	37 Å²	37	64.5 Å²	64.5	17%	0.173	34%	0.34	C	S	.	.	H	α-helix	trans	-74.9	-32.5	-179.6	-177.9	172.1	147.4	0	0	112.8	K70 A75 R76 I138 S139 D140	K70-E72 PolarHBondContact O-N 3.31Å; E72-A75 WeakPolarHBondContact O-CB 3.44Å; E72-A75 PolarHBondContact O-N 3.14Å; E72-R76 WeakPolarHBondContact O-CG 3.37Å; E72-R76 PolarHBondContact O-N 3.01Å; E72-R76 IonicContact OE1-CZ 2.7Å; E72-R76 IonicContact OE1-NE 3.04Å; E72-R76 PolarHBondContact OE1-NE 3.48Å; E72-R76 IonicContact OE1-NH2 3.25Å; E72-R76 PolarHBondContact OE1-NH2 3.06Å; E72-I138 HydrophobicContact CB-CD1 4.26Å; E72-I138 HydrophobicContact CG-CG2 4.21Å; E72-S139 WeakPolarHBondContact OE2-CA 3.25Å; E72-S139 WeakPolarHBondContact OE2-CB 3.4Å; E72-S139 PolarHBondContact OE2-N 3.01Å; E72-S139 PolarHBondContact OE2-OG 3.48Å; E72-D140 WeakPolarHBondContact OE1-CB 3.39Å; E72-D140 PolarHBondContact OE2-N 2.99Å
73	E	96.1	Very high	95.3	Very high	135 Å²	135	64.3 Å²	64.3	63%	0.631	34%	0.336	S	S	*	.	H	α-helix	trans	-68.5	-41.7	176.4	-75.9	-68.6	153.7	0	0	110.4	D71 A75 R76 A77	D71-E73 PolarHBondContact OD1-N 3.5Å; E73-A75 VanDerWaalsContact C-N 3.3Å; E73-A75 PolarHBondContact O-N 3.33Å; E73-R76 PolarHBondContact O-N 3.25Å; E73-A77 PolarHBondContact O-N 2.97Å
74	D	95.6	Very high	95.3	Very high	48 Å²	48	68.1 Å²	68.1	26%	0.257	36%	0.356	S	S	.	.	H	α-helix	trans	-60.5	-40.4	173.2	-171	97.5	0	0	0	111.3	V69 D71 A77 F78 Y133	V69-D74 HydrophobicContact CG1-CB 4.41Å; D71-D74 HydrophobicContact CB-CB 3.85Å; D71-D74 PolarHBondContact OD1-N 3.47Å; D74-A77 PolarHBondContact O-N 3.32Å; D74-F78 PolarHBondContact O-N 3.46Å; D74-Y133 HydrophobicContact CB-CE1 4.33Å; D74-Y133 PolarHBondContact O-OH 3.08Å; D74-Y133 WeakPolarHBondContact OD2-CE1 3.46Å; D74-Y133 VanDerWaalsContact OD2-CZ 3.26Å; D74-Y133 PolarHBondContact OD2-OH 3.42Å
75	A	96.2	Very high	95.2	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-63.9	-41.8	174.6	0	0	0	0	0	112.8	D71 E72 E73 A77 F78 L79 Y133 I138 L147	D71-A75 PolarHBondContact O-N 3.12Å; E72-A75 WeakPolarHBondContact O-CB 3.44Å; E72-A75 PolarHBondContact O-N 3.14Å; E73-A75 VanDerWaalsContact C-N 3.3Å; E73-A75 PolarHBondContact O-N 3.33Å; A75-A77 VanDerWaalsContact C-N 3.35Å; A75-F78 PolarHBondContact O-N 3.38Å; A75-L79 WeakPolarHBondContact O-CG 3.5Å; A75-L79 PolarHBondContact O-N 3.17Å; A75-Y133 VanDerWaalsContact CA-CE1 3.43Å; A75-Y133 HydrophobicContact CB-CD1 3.69Å; A75-Y133 HydrophobicContact CB-CE1 3.7Å; A75-Y133 HydrophobicContact CB-CG 4.32Å; A75-I138 HydrophobicContact CB-CD1 3.94Å; A75-L147 HydrophobicContact CB-CD1 4.13Å
76	R	95.8	Very high	95	Very high	107 Å²	107	58.9 Å²	58.9	40%	0.404	31%	0.31	S	S	.	.	H	α-helix	trans	-63.7	-40.7	175.8	-73.3	173.5	-173.6	-112.8	-0.9	111.4	E72 E73 L79 A80 D140	E72-R76 WeakPolarHBondContact O-CG 3.37Å; E72-R76 PolarHBondContact O-N 3.01Å; E72-R76 IonicContact OE1-CZ 2.7Å; E72-R76 IonicContact OE1-NE 3.04Å; E72-R76 PolarHBondContact OE1-NE 3.48Å; E72-R76 IonicContact OE1-NH2 3.25Å; E72-R76 PolarHBondContact OE1-NH2 3.06Å; E73-R76 PolarHBondContact O-N 3.25Å; R76-L79 PolarHBondContact O-N 3.18Å; R76-A80 PolarHBondContact O-N 3.13Å; R76-D140 IonicContact NH2-OD2 3.97Å
77	A	95.6	Very high	94.8	Very high	52 Å²	52	52.4 Å²	52.4	43%	0.43	29%	0.288	S	S	.	.	H	α-helix	trans	-61.1	-48.3	175.1	0	0	0	0	0	111.5	E73 D74 A75 L79 A80 D81	E73-A77 PolarHBondContact O-N 2.97Å; D74-A77 PolarHBondContact O-N 3.32Å; A75-A77 VanDerWaalsContact C-N 3.35Å; A77-L79 VanDerWaalsContact C-N 3.31Å; A77-L79 PolarHBondContact O-N 3.36Å; A77-A80 WeakPolarHBondContact O-CB 3.48Å; A77-A80 PolarHBondContact O-N 3.07Å; A77-A80 VanDerWaalsContact O-N 3.12Å; A77-D81 PolarHBondContact O-N 3.41Å
78	F	95.7	Very high	94.6	Very high	10 Å²	10	54.3 Å²	54.3	4%	0.044	29%	0.291	C	S	.	.	H	α-helix	trans	-56.1	-43.6	174.5	159.6	-106.8	0	0	0	112.9	Y57 D74 A75 A80 D81 Y82 T126 R129 A130 Y133 L147 L150	Y57-F78 HydrophobicContact CE2-CD2 4.05Å; Y57-F78 AromaticContact CE2-CE2 3.81Å; Y57-F78 HydrophobicContact CE2-CE2 3.81Å; Y57-F78 AromaticContact CZ-CE2 3.99Å; Y57-F78 WeakPolarHBondContact OH-CE2 3.42Å; D74-F78 PolarHBondContact O-N 3.46Å; A75-F78 PolarHBondContact O-N 3.38Å; F78-A80 VanDerWaalsContact C-N 3.33Å; F78-D81 PolarHBondContact O-N 3.46Å; F78-Y82 WeakPolarHBondContact O-CB 3.41Å; F78-Y82 PolarHBondContact O-N 3.45Å; F78-T126 HydrophobicContact CZ-CG2 4.4Å; F78-R129 HydrophobicContact CD2-CB 3.98Å; F78-R129 HydrophobicContact CE2-CB 3.37Å; F78-R129 HydrophobicContact CE2-CG 4.28Å; F78-R129 HydrophobicContact CZ-CB 3.92Å; F78-A130 HydrophobicContact CE1-CB 3.97Å; F78-A130 HydrophobicContact CZ-CB 4.01Å; F78-Y133 HydrophobicContact CB-CE2 3.93Å; F78-Y133 VanDerWaalsContact CB-OH 3.29Å; F78-Y133 WeakPolarHBondContact CB-OH 3.01Å; F78-Y133 HydrophobicContact CD1-CD2 4.33Å; F78-Y133 AromaticContact CD1-CE2 3.69Å; F78-Y133 HydrophobicContact CD1-CE2 3.69Å; F78-Y133 HydrophobicContact CE1-CE2 4.41Å; F78-Y133 AromaticContact CG-CE2 3.8Å; F78-Y133 HydrophobicContact CG-CE2 3.8Å; F78-L147 HydrophobicContact CD1-CD2 3.87Å; F78-L147 HydrophobicContact CE1-CD2 3.85Å; F78-L150 HydrophobicContact CE1-CD1 4.39Å
79	L	96.6	Very high	94.2	Very high	14 Å²	14	51.6 Å²	51.6	7%	0.073	27%	0.272	C	S	.	.	H	α-helix	trans	-67.1	-35	179	-68.4	-179.5	0	0	0	112.1	A75 R76 A77 Y82 E83 C143 M146 L147 L150	A75-L79 WeakPolarHBondContact O-CG 3.5Å; A75-L79 PolarHBondContact O-N 3.17Å; R76-L79 PolarHBondContact O-N 3.18Å; A77-L79 VanDerWaalsContact C-N 3.31Å; A77-L79 PolarHBondContact O-N 3.36Å; L79-Y82 PolarHBondContact O-N 2.96Å; L79-E83 WeakPolarHBondContact O-CG 3.45Å; L79-E83 PolarHBondContact O-N 2.96Å; L79-C143 HydrophobicContact CD1-CB 4.05Å; L79-C143 WeakPolarHBondContact CD1-SG 3.02Å; L79-M146 HydrophobicContact CD1-CB 3.97Å; L79-M146 HydrophobicContact CD1-CE 4.45Å; L79-M146 HydrophobicContact CD1-SD 4.16Å; L79-M146 HydrophobicContact CD2-CB 3.94Å; L79-M146 HydrophobicContact CD2-CE 4.13Å; L79-L147 HydrophobicContact CD2-CD2 4.26Å; L79-L150 HydrophobicContact CD2-CD1 3.76Å
80	A	95.3	Very high	93.9	Very high	52 Å²	52	53.4 Å²	53.4	43%	0.43	28%	0.278	S	S	.	.	H	α-helix	trans	-65.6	-42.9	174	0	0	0	0	0	111.7	R76 A77 F78 E83 N84	R76-A80 PolarHBondContact O-N 3.13Å; A77-A80 WeakPolarHBondContact O-CB 3.48Å; A77-A80 PolarHBondContact O-N 3.07Å; A77-A80 VanDerWaalsContact O-N 3.12Å; F78-A80 VanDerWaalsContact C-N 3.33Å; A80-E83 PolarHBondContact O-N 2.86Å; A80-N84 PolarHBondContact O-N 2.79Å; A80-N84 PolarHBondContact O-ND2 3.05Å
81	D	94.4	Very high	93.5	Very high	88 Å²	88	50.6 Å²	50.6	47%	0.471	26%	0.264	S	S	.	.	H	α-helix	trans	-64.1	-41.7	174.9	-68.5	-20.5	0	0	0	111.5	Y57 A77 F78 E83 N84 E85	Y57-D81 HydrophobicContact CD2-CB 3.91Å; Y57-D81 HydrophobicContact CE2-CB 4.22Å; A77-D81 PolarHBondContact O-N 3.41Å; F78-D81 PolarHBondContact O-N 3.46Å; D81-E83 VanDerWaalsContact C-N 3.35Å; D81-E83 PolarHBondContact O-N 3.16Å; D81-N84 PolarHBondContact O-N 3.39Å; D81-E85 PolarHBondContact O-N 3.36Å
82	Y	95.3	Very high	93.2	Very high	3 Å²	3	47.8 Å²	47.8	1%	0.012	25%	0.249	C	C	.	.	H	α-helix	trans	-56.1	-47.4	173	163.8	-96.1	0	0	0	111.5	F78 L79 N84 E85 A86 F122 T126 L150 A451	F78-Y82 WeakPolarHBondContact O-CB 3.41Å; F78-Y82 PolarHBondContact O-N 3.45Å; L79-Y82 PolarHBondContact O-N 2.96Å; Y82-N84 VanDerWaalsContact C-N 3.29Å; Y82-N84 PolarHBondContact O-N 3.29Å; Y82-E85 PolarHBondContact O-N 3.28Å; Y82-A86 HydrophobicContact CD2-CB 4.25Å; Y82-A86 HydrophobicContact CE1-CB 4.16Å; Y82-A86 HydrophobicContact CE2-CB 3.84Å; Y82-A86 WeakPolarHBondContact O-CA 3.44Å; Y82-A86 WeakPolarHBondContact O-CB 3.35Å; Y82-A86 PolarHBondContact O-N 3.29Å; Y82-F122 HydrophobicContact CD2-CE1 4.34Å; Y82-F122 AromaticContact CD2-CZ 3.72Å; Y82-F122 HydrophobicContact CD2-CZ 3.72Å; Y82-F122 AromaticContact CE2-CE1 3.86Å; Y82-F122 HydrophobicContact CE2-CE1 3.86Å; Y82-F122 AromaticContact CE2-CZ 3.7Å; Y82-F122 HydrophobicContact CE2-CZ 3.7Å; Y82-T126 HydrophobicContact CD2-CG2 3.55Å; Y82-T126 HydrophobicContact CE2-CG2 3.73Å; Y82-L150 HydrophobicContact CD1-CD1 3.93Å; Y82-L150 HydrophobicContact CD2-CD1 4.11Å; Y82-L150 HydrophobicContact CD2-CD2 4.34Å; Y82-L150 HydrophobicContact CE1-CD1 4.07Å; Y82-L150 HydrophobicContact CE1-CD2 4.17Å; Y82-L150 HydrophobicContact CE2-CD1 4.22Å; Y82-L150 HydrophobicContact CE2-CD2 3.67Å; Y82-L150 HydrophobicContact CG-CD1 3.96Å; Y82-A451 HydrophobicContact CE1-CB 3.84Å
83	E	94.1	Very high	92.8	Very high	41 Å²	41	47 Å²	47	19%	0.192	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-39.3	-178.8	-72.5	-69.6	131.7	0	0	111.9	L79 A80 D81 A87 P449 I450	L79-E83 WeakPolarHBondContact O-CG 3.45Å; L79-E83 PolarHBondContact O-N 2.96Å; A80-E83 PolarHBondContact O-N 2.86Å; D81-E83 VanDerWaalsContact C-N 3.35Å; D81-E83 PolarHBondContact O-N 3.16Å; E83-A87 WeakPolarHBondContact O-CB 3.29Å; E83-A87 PolarHBondContact O-N 3.01Å; E83-A87 VanDerWaalsContact O-N 3.13Å; E83-P449 WeakPolarHBondContact OE1-CB 3.46Å; E83-P449 WeakPolarHBondContact OE2-CA 3.44Å; E83-I450 VanDerWaalsContact CD-N 3.26Å; E83-I450 WeakPolarHBondContact O-CD1 3.15Å; E83-I450 PolarHBondContact OE1-N 3.49Å; E83-I450 WeakPolarHBondContact OE2-CG1 3.34Å; E83-I450 PolarHBondContact OE2-N 2.7Å
84	N	92.1	Very high	92.4	Very high	117 Å²	117	42.1 Å²	42.1	63%	0.626	23%	0.227	S	C	*	.	H	α-helix	trans	-66.4	-48.5	178.1	-70.3	-36	0	0	0	112.1	A80 D81 Y82	A80-N84 PolarHBondContact O-N 2.79Å; A80-N84 PolarHBondContact O-ND2 3.05Å; D81-N84 PolarHBondContact O-N 3.39Å; Y82-N84 VanDerWaalsContact C-N 3.29Å; Y82-N84 PolarHBondContact O-N 3.29Å
85	E	92.9	Very high	92.2	Very high	34 Å²	34	41.5 Å²	41.5	16%	0.159	22%	0.223	C	C	.	.	H	α-helix	trans	-68.5	-43.5	179.6	-67.6	-69.7	157.9	0	0	111.5	S55 Y57 W58 D81 Y82 A87 N88 V89 F122	S55-E85 WeakPolarHBondContact CB-OE1 3.47Å; S55-E85 VanDerWaalsContact OG-CD 3.31Å; S55-E85 PolarHBondContact OG-OE1 3.24Å; Y57-E85 HydrophobicContact CD1-CB 4.43Å; Y57-E85 HydrophobicContact CD1-CG 4.1Å; Y57-E85 HydrophobicContact CD2-CG 4.31Å; Y57-E85 HydrophobicContact CG-CG 3.89Å; W58-E85 PolarHBondContact NE1-OE2 3.44Å; D81-E85 PolarHBondContact O-N 3.36Å; Y82-E85 PolarHBondContact O-N 3.28Å; E85-A87 VanDerWaalsContact C-N 3.32Å; E85-A87 PolarHBondContact O-N 3.23Å; E85-N88 PolarHBondContact O-N 2.94Å; E85-V89 WeakPolarHBondContact O-CG2 3.46Å; E85-V89 PolarHBondContact O-N 3.45Å; E85-F122 HydrophobicContact CB-CE2 3.75Å; E85-F122 HydrophobicContact CB-CZ 4.37Å
86	A	91.7	Very high	91.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.1	-39.2	-179.8	0	0	0	0	0	112.2	Y82 N88 Y90 F122 I450	Y82-A86 HydrophobicContact CD2-CB 4.25Å; Y82-A86 HydrophobicContact CE1-CB 4.16Å; Y82-A86 HydrophobicContact CE2-CB 3.84Å; Y82-A86 WeakPolarHBondContact O-CA 3.44Å; Y82-A86 WeakPolarHBondContact O-CB 3.35Å; Y82-A86 PolarHBondContact O-N 3.29Å; A86-N88 VanDerWaalsContact C-N 3.27Å; A86-N88 PolarHBondContact O-N 3.48Å; A86-Y90 HydrophobicContact CB-CD2 3.95Å; A86-Y90 HydrophobicContact CB-CE2 3.79Å; A86-Y90 VanDerWaalsContact O-CB 3.3Å; A86-Y90 WeakPolarHBondContact O-CB 3.12Å; A86-Y90 WeakPolarHBondContact O-CD2 3.49Å; A86-Y90 PolarHBondContact O-N 3.26Å; A86-F122 HydrophobicContact CB-CE1 4Å; A86-F122 HydrophobicContact CB-CZ 3.74Å; A86-I450 HydrophobicContact CB-CB 4.48Å; A86-I450 HydrophobicContact CB-CD1 4.05Å; A86-I450 HydrophobicContact CB-CG2 4Å
87	A	89.9	Confident	91.2	Very high	33 Å²	33	36.9 Å²	36.9	27%	0.273	21%	0.209	S	C	.	.	H	α-helix	trans	-58.2	-42.6	177.6	0	0	0	0	0	111.5	E83 E85 Y91 I450	E83-A87 WeakPolarHBondContact O-CB 3.29Å; E83-A87 PolarHBondContact O-N 3.01Å; E83-A87 VanDerWaalsContact O-N 3.13Å; E85-A87 VanDerWaalsContact C-N 3.32Å; E85-A87 PolarHBondContact O-N 3.23Å; A87-Y91 WeakPolarHBondContact O-CB 3.19Å; A87-Y91 PolarHBondContact O-N 2.94Å; A87-I450 HydrophobicContact CB-CD1 3.7Å
88	N	90.5	Very high	90.9	Very high	70 Å²	70	35.2 Å²	35.2	37%	0.374	19%	0.191	S	C	.	.	H	α-helix	trans	-74.6	-49.7	-179.4	-168.4	27.7	0	0	0	111.8	L52 E85 A86 Y90 Y91 L92	L52-N88 VanDerWaalsContact CD2-ND2 3.28Å; L52-N88 WeakPolarHBondContact CD2-ND2 3.08Å; E85-N88 PolarHBondContact O-N 2.94Å; A86-N88 VanDerWaalsContact C-N 3.27Å; A86-N88 PolarHBondContact O-N 3.48Å; N88-Y90 PolarHBondContact O-N 3.42Å; N88-Y91 PolarHBondContact O-N 3.29Å; N88-L92 WeakPolarHBondContact O-CG 3.38Å; N88-L92 PolarHBondContact O-N 3.23Å
89	V	87.9	Confident	90.7	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.024	20%	0.203	C	C	.	.	H	α-helix	trans	-59.3	-49.9	-179.1	172.9	0	0	0	0	110.9	L52 W58 E85 L92 S93 F122	L52-V89 HydrophobicContact CD2-CG2 4.22Å; W58-V89 HydrophobicContact CH2-CG2 3.99Å; W58-V89 HydrophobicContact CZ2-CG2 3.66Å; E85-V89 WeakPolarHBondContact O-CG2 3.46Å; E85-V89 PolarHBondContact O-N 3.45Å; V89-L92 PolarHBondContact O-N 3.05Å; V89-S93 VanDerWaalsContact O-CB 3.25Å; V89-S93 WeakPolarHBondContact O-CB 3.43Å; V89-S93 PolarHBondContact O-N 3.36Å; V89-F122 HydrophobicContact CB-CD1 4.43Å; V89-F122 HydrophobicContact CB-CG 4.41Å; V89-F122 HydrophobicContact CG1-CB 4.09Å; V89-F122 HydrophobicContact CG1-CD1 4.08Å; V89-F122 HydrophobicContact CG1-CG 4.08Å; V89-F122 HydrophobicContact CG2-CB 4.49Å; V89-F122 HydrophobicContact CG2-CD2 4.1Å; V89-F122 HydrophobicContact CG2-CG 4.16Å
90	Y	89	Confident	90.2	Very high	46 Å²	46	37.5 Å²	37.5	18%	0.18	20%	0.201	C	C	.	.	H	α-helix	trans	-70.6	-32.9	-178.9	-64.3	-41.7	0	0	0	112.8	A86 N88 T94 T119 F122 L123 K411 I450	A86-Y90 HydrophobicContact CB-CD2 3.95Å; A86-Y90 HydrophobicContact CB-CE2 3.79Å; A86-Y90 VanDerWaalsContact O-CB 3.3Å; A86-Y90 WeakPolarHBondContact O-CB 3.12Å; A86-Y90 WeakPolarHBondContact O-CD2 3.49Å; A86-Y90 PolarHBondContact O-N 3.26Å; N88-Y90 PolarHBondContact O-N 3.42Å; Y90-T94 WeakPolarHBondContact O-CB 3.11Å; Y90-T94 PolarHBondContact O-N 3.04Å; Y90-T94 PolarHBondContact O-OG1 3.33Å; Y90-T119 HydrophobicContact CD1-CG2 4.41Å; Y90-T119 HydrophobicContact CE1-CG2 4.15Å; Y90-F122 HydrophobicContact CE2-CE1 4.38Å; Y90-L123 WeakPolarHBondContact OH-CD2 3.49Å; Y90-K411 HydrophobicContact CD2-CG 4.36Å; Y90-K411 HydrophobicContact CG-CG 4.4Å; Y90-I450 HydrophobicContact CD2-CG2 3.54Å; Y90-I450 HydrophobicContact CE2-CG2 3.55Å
91	Y	89	Confident	89.6	Confident	79 Å²	79	35.1 Å²	35.1	31%	0.31	18%	0.182	S	C	.	.	H	α-helix	trans	-60	-53.1	174	171.1	-103.4	0	0	0	111.3	A87 N88 T94 E95 F410	A87-Y91 WeakPolarHBondContact O-CB 3.19Å; A87-Y91 PolarHBondContact O-N 2.94Å; N88-Y91 PolarHBondContact O-N 3.29Å; Y91-T94 PolarHBondContact O-N 2.84Å; Y91-E95 WeakPolarHBondContact O-CB 3.19Å; Y91-E95 PolarHBondContact O-N 3.33Å; Y91-F410 WeakPolarHBondContact CA-O 3.42Å; Y91-F410 HydrophobicContact CD2-CB 4.04Å; Y91-F410 HydrophobicContact CD2-CD1 4.06Å; Y91-F410 HydrophobicContact CE2-CB 4.46Å; Y91-F410 AromaticContact CE2-CD1 4Å; Y91-F410 HydrophobicContact CE2-CD1 4Å
92	L	88.1	Confident	89.2	Confident	33 Å²	33	31.2 Å²	31.2	17%	0.173	16%	0.161	C	C	.	.	H	α-helix	trans	-64.2	-43.9	-177.8	-66.3	172.9	0	0	0	111.8	L52 N88 V89 T94 E95 A96 F115	L52-L92 HydrophobicContact CD2-CD1 4.49Å; L52-L92 HydrophobicContact CG-CD1 4.42Å; N88-L92 WeakPolarHBondContact O-CG 3.38Å; N88-L92 PolarHBondContact O-N 3.23Å; V89-L92 PolarHBondContact O-N 3.05Å; L92-T94 PolarHBondContact O-N 2.83Å; L92-E95 PolarHBondContact O-N 2.87Å; L92-A96 PolarHBondContact O-N 3.45Å; L92-F115 HydrophobicContact CB-CD1 3.98Å; L92-F115 HydrophobicContact CB-CE1 3.51Å; L92-F115 HydrophobicContact CB-CZ 4.02Å; L92-F115 HydrophobicContact CD1-CE1 4.05Å; L92-F115 HydrophobicContact CG-CE1 4.3Å
93	S	87.5	Confident	88.8	Confident	22 Å²	22	32.9 Å²	32.9	15%	0.154	17%	0.17	C	C	.	.	H	α-helix	trans	-61.3	-44.2	176.2	-175	0	0	0	0	112.1	V89 E95 A96 G97 T119	V89-S93 VanDerWaalsContact O-CB 3.25Å; V89-S93 WeakPolarHBondContact O-CB 3.43Å; V89-S93 PolarHBondContact O-N 3.36Å; S93-E95 PolarHBondContact O-N 3.12Å; S93-A96 PolarHBondContact O-N 3.36Å; S93-G97 PolarHBondContact O-N 2.92Å; S93-T119 WeakPolarHBondContact CB-OG1 3.27Å; S93-T119 PolarHBondContact OG-OG1 2.98Å; S93-T119 VanDerWaalsContact OG-OG1 3.05Å
94	T	87.8	Confident	88.1	Confident	31 Å²	31	33.6 Å²	33.6	19%	0.19	17%	0.174	C	C	.	.	H	α-helix	trans	-66.5	-38	177.4	-55.7	0	0	0	0	111.9	Y90 Y91 L92 G97 W98 F408 F410	Y90-T94 WeakPolarHBondContact O-CB 3.11Å; Y90-T94 PolarHBondContact O-N 3.04Å; Y90-T94 PolarHBondContact O-OG1 3.33Å; Y91-T94 PolarHBondContact O-N 2.84Å; L92-T94 PolarHBondContact O-N 2.83Å; T94-G97 PolarHBondContact O-N 3.26Å; T94-W98 WeakPolarHBondContact O-CB 3.49Å; T94-W98 PolarHBondContact O-N 3.23Å; T94-F408 HydrophobicContact CG2-CD1 3.95Å; T94-F410 HydrophobicContact CG2-CD1 3.95Å; T94-F410 HydrophobicContact CG2-CD2 4.07Å; T94-F410 HydrophobicContact CG2-CE1 3.99Å; T94-F410 HydrophobicContact CG2-CE2 4.09Å; T94-F410 HydrophobicContact CG2-CG 3.98Å; T94-F410 HydrophobicContact CG2-CZ 4.05Å
95	E	90.1	Very high	87.8	Confident	35 Å²	35	30.1 Å²	30.1	16%	0.164	16%	0.157	C	C	.	.	H	α-helix	trans	-66.8	-42.9	176	-178.8	61.5	-145.2	0	0	111.9	Y91 L92 S93 G97 W98 Q99 F410 R417	Y91-E95 WeakPolarHBondContact O-CB 3.19Å; Y91-E95 PolarHBondContact O-N 3.33Å; L92-E95 PolarHBondContact O-N 2.87Å; S93-E95 PolarHBondContact O-N 3.12Å; E95-G97 VanDerWaalsContact C-N 3.34Å; E95-G97 PolarHBondContact O-N 3Å; E95-W98 WeakPolarHBondContact O-CB 3.2Å; E95-W98 PolarHBondContact O-N 2.88Å; E95-Q99 WeakPolarHBondContact O-CB 3.28Å; E95-Q99 VanDerWaalsContact O-CG 3.29Å; E95-Q99 WeakPolarHBondContact O-CG 3.34Å; E95-Q99 PolarHBondContact O-N 3.18Å; E95-Q99 WeakPolarHBondContact OE1-CG 3.33Å; E95-Q99 PolarHBondContact OE1-NE2 3.41Å; E95-F410 HydrophobicContact CB-CD1 4.44Å; E95-F410 HydrophobicContact CB-CE1 4Å; E95-F410 WeakPolarHBondContact OE2-CE1 3.26Å; E95-R417 IonicContact OE1-NH1 3.44Å; E95-R417 IonicContact OE2-CZ 3.14Å; E95-R417 VanDerWaalsContact OE2-CZ 3.31Å; E95-R417 IonicContact OE2-NH1 3.31Å; E95-R417 PolarHBondContact OE2-NH1 2.97Å; E95-R417 IonicContact OE2-NH2 2.98Å; E95-R417 PolarHBondContact OE2-NH2 3Å
96	A	86.1	Confident	87.3	Confident	3 Å²	3	32.9 Å²	32.9	3%	0.025	17%	0.17	C	C	.	.	H	α-helix	trans	-60.8	-44.6	173.6	0	0	0	0	0	111.6	L92 S93 W98 Q99 F100 L112 F115	L92-A96 PolarHBondContact O-N 3.45Å; S93-A96 PolarHBondContact O-N 3.36Å; A96-W98 PolarHBondContact O-N 2.62Å; A96-Q99 PolarHBondContact O-N 3.34Å; A96-F100 PolarHBondContact O-N 3.48Å; A96-L112 HydrophobicContact CB-CD1 4.46Å; A96-F115 HydrophobicContact CB-CB 4.21Å; A96-F115 HydrophobicContact CB-CD2 3.46Å; A96-F115 VanDerWaalsContact CB-CD2 3.46Å; A96-F115 HydrophobicContact CB-CE2 4.13Å; A96-F115 HydrophobicContact CB-CG 4.1Å
97	G	86.3	Confident	87.1	Confident	8 Å²	8	36.4 Å²	36.4	8%	0.082	20%	0.2	C	C	.	.	H	α-helix	trans	-60.3	-45.1	174.5	0	0	0	0	0	112.3	S93 T94 E95 F100 L101	S93-G97 PolarHBondContact O-N 2.92Å; T94-G97 PolarHBondContact O-N 3.26Å; E95-G97 VanDerWaalsContact C-N 3.34Å; E95-G97 PolarHBondContact O-N 3Å; G97-F100 PolarHBondContact O-N 3.2Å; G97-L101 VanDerWaalsContact O-CB 3.27Å; G97-L101 WeakPolarHBondContact O-CB 3.45Å; G97-L101 WeakPolarHBondContact O-CG 3.36Å; G97-L101 PolarHBondContact O-N 3.37Å
98	W	89.2	Confident	86.7	Confident	17 Å²	17	38.5 Å²	38.5	6%	0.064	20%	0.2	C	C	.	.	H	α-helix	trans	-59.1	-48.5	175	175.3	-89.5	0	0	0	111.8	T94 E95 A96 F100 L101 T102 N390 I392 F408 F410 R417 K419	T94-W98 WeakPolarHBondContact O-CB 3.49Å; T94-W98 PolarHBondContact O-N 3.23Å; E95-W98 WeakPolarHBondContact O-CB 3.2Å; E95-W98 PolarHBondContact O-N 2.88Å; A96-W98 PolarHBondContact O-N 2.62Å; W98-F100 VanDerWaalsContact C-N 3.35Å; W98-F100 PolarHBondContact O-N 3.28Å; W98-L101 PolarHBondContact O-N 3Å; W98-T102 HydrophobicContact CD2-CG2 3.92Å; W98-T102 HydrophobicContact CE3-CG2 4.31Å; W98-T102 HydrophobicContact CG-CG2 4.41Å; W98-T102 HydrophobicContact CH2-CG2 4.16Å; W98-T102 HydrophobicContact CZ2-CG2 3.74Å; W98-T102 HydrophobicContact CZ3-CG2 4.43Å; W98-T102 WeakPolarHBondContact O-CB 3.22Å; W98-T102 VanDerWaalsContact O-CG2 3.28Å; W98-T102 WeakPolarHBondContact O-CG2 3.48Å; W98-T102 PolarHBondContact O-N 3.4Å; W98-T102 PolarHBondContact O-OG1 3.08Å; W98-N390 WeakPolarHBondContact CZ2-O 3.34Å; W98-I392 HydrophobicContact CH2-CG1 4.46Å; W98-I392 HydrophobicContact CZ2-CD1 4.34Å; W98-I392 HydrophobicContact CZ2-CG1 4.2Å; W98-F408 HydrophobicContact CE3-CD1 4.35Å; W98-F408 AromaticContact CE3-CD2 3.65Å; W98-F408 HydrophobicContact CE3-CD2 3.65Å; W98-F408 HydrophobicContact CE3-CE1 4.46Å; W98-F408 AromaticContact CE3-CE2 3.76Å; W98-F408 HydrophobicContact CE3-CE2 3.76Å; W98-F408 AromaticContact CE3-CG 3.96Å; W98-F408 HydrophobicContact CE3-CG 3.96Å; W98-F408 HydrophobicContact CE3-CZ 4.18Å; W98-F408 AromaticContact CZ3-CD2 3.61Å; W98-F408 HydrophobicContact CZ3-CD2 3.61Å; W98-F408 AromaticContact CZ3-CE2 3.82Å; W98-F408 HydrophobicContact CZ3-CE2 3.82Å; W98-F408 HydrophobicContact CZ3-CG 4.29Å; W98-F410 HydrophobicContact CB-CE1 4.38Å; W98-F410 HydrophobicContact CB-CZ 3.84Å; W98-F410 HydrophobicContact CD2-CZ 4.24Å; W98-F410 HydrophobicContact CE3-CZ 4.4Å; W98-F410 AromaticContact CG-CZ 3.99Å; W98-F410 HydrophobicContact CG-CZ 3.99Å; W98-R417 HydrophobicContact CE3-CB 4.05Å; W98-R417 HydrophobicContact CH2-CB 3.69Å; W98-R417 HydrophobicContact CH2-CG 4.45Å; W98-R417 HydrophobicContact CZ2-CB 4.39Å; W98-R417 HydrophobicContact CZ3-CB 3.47Å; W98-R417 VanDerWaalsContact CZ3-CB 3.47Å; W98-R417 HydrophobicContact CZ3-CG 4.4Å; W98-R417 VanDerWaalsContact NE1-NH1 3.14Å; W98-K419 HydrophobicContact CH2-CB 4.24Å; W98-K419 HydrophobicContact CZ3-CB 3.97Å
99	Q	91.3	Very high	86.2	Confident	63 Å²	63	39.3 Å²	39.3	29%	0.294	20%	0.198	S	C	.	.	H	α-helix	trans	-61.9	-41.5	-178	-74.7	178.3	8.2	0	0	112.5	E95 A96 N103 R108	E95-Q99 WeakPolarHBondContact O-CB 3.28Å; E95-Q99 VanDerWaalsContact O-CG 3.29Å; E95-Q99 WeakPolarHBondContact O-CG 3.34Å; E95-Q99 PolarHBondContact O-N 3.18Å; E95-Q99 WeakPolarHBondContact OE1-CG 3.33Å; E95-Q99 PolarHBondContact OE1-NE2 3.41Å; A96-Q99 PolarHBondContact O-N 3.34Å; Q99-N103 PolarHBondContact O-N 3.33Å; Q99-R108 WeakPolarHBondContact O-CD 3.45Å; Q99-R108 PolarHBondContact O-NH1 3.31Å
100	F	86.7	Confident	86	Confident	8 Å²	8	46.2 Å²	46.2	4%	0.035	23%	0.228	C	C	.	.	H	α-helix	trans	-68.9	-48.7	176.1	175.6	-113.8	0	0	0	111.7	L25 A96 G97 W98 T102 N103 M104 R108 R109 L112	L25-F100 HydrophobicContact CB-CE1 4.48Å; L25-F100 HydrophobicContact CD1-CE1 3.81Å; L25-F100 HydrophobicContact CD1-CZ 4.15Å; A96-F100 PolarHBondContact O-N 3.48Å; G97-F100 PolarHBondContact O-N 3.2Å; W98-F100 VanDerWaalsContact C-N 3.35Å; W98-F100 PolarHBondContact O-N 3.28Å; F100-T102 PolarHBondContact O-N 2.94Å; F100-N103 CarbonylContact O-C 3.55Å; F100-N103 VanDerWaalsContact O-C 3.27Å; F100-N103 PolarHBondContact O-N 2.9Å; F100-M104 HydrophobicContact CE2-CB 4.27Å; F100-M104 HydrophobicContact CE2-CE 4.42Å; F100-M104 HydrophobicContact CE2-CG 4.26Å; F100-M104 HydrophobicContact CZ-CE 3.97Å; F100-M104 HydrophobicContact CZ-CG 4.48Å; F100-M104 WeakPolarHBondContact O-CA 3.32Å; F100-M104 WeakPolarHBondContact O-CG 3.49Å; F100-M104 PolarHBondContact O-N 2.8Å; F100-R108 HydrophobicContact CB-CB 4.24Å; F100-R108 HydrophobicContact CD2-CB 4.24Å; F100-R109 HydrophobicContact CD2-CB 4.03Å; F100-R109 HydrophobicContact CE2-CB 3.66Å; F100-R109 HydrophobicContact CE2-CG 4.11Å; F100-R109 HydrophobicContact CZ-CB 4.3Å; F100-R109 HydrophobicContact CZ-CG 4.25Å; F100-L112 HydrophobicContact CB-CB 4.47Å; F100-L112 HydrophobicContact CB-CD2 4.12Å; F100-L112 HydrophobicContact CD1-CD2 3.48Å; F100-L112 VanDerWaalsContact CD1-CD2 3.48Å; F100-L112 HydrophobicContact CE1-CD2 4.16Å; F100-L112 HydrophobicContact CG-CD2 4Å
101	L	81.1	Confident	85.7	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-67.8	-18.9	-176.5	-69.5	174	0	0	0	113.9	V18 I22 G97 W98 L401 V402 F408 K419	V18-L101 HydrophobicContact CG1-CD1 4.32Å; I22-L101 HydrophobicContact CD1-CD1 4.27Å; I22-L101 HydrophobicContact CG1-CD2 4.14Å; G97-L101 VanDerWaalsContact O-CB 3.27Å; G97-L101 WeakPolarHBondContact O-CB 3.45Å; G97-L101 WeakPolarHBondContact O-CG 3.36Å; G97-L101 PolarHBondContact O-N 3.37Å; W98-L101 PolarHBondContact O-N 3Å; L101-L401 WeakPolarHBondContact O-CB 3.18Å; L101-V402 HydrophobicContact CD2-CB 4Å; L101-V402 HydrophobicContact CD2-CG1 4.47Å; L101-V402 HydrophobicContact CD2-CG2 3.71Å; L101-V402 PolarHBondContact O-N 2.63Å; L101-F408 HydrophobicContact CD1-CE1 4.23Å; L101-F408 HydrophobicContact CD1-CZ 3.79Å; L101-K419 HydrophobicContact CB-CD 4.46Å
102	T	86	Confident	85.4	Confident	7 Å²	7	42.2 Å²	42.2	4%	0.043	22%	0.215	C	C	.	.	H	α-helix	trans	-104.7	-11	-179.6	60.3	0	0	0	0	114.4	W98 F100 I392 R399 K419	W98-T102 HydrophobicContact CD2-CG2 3.92Å; W98-T102 HydrophobicContact CE3-CG2 4.31Å; W98-T102 HydrophobicContact CG-CG2 4.41Å; W98-T102 HydrophobicContact CH2-CG2 4.16Å; W98-T102 HydrophobicContact CZ2-CG2 3.74Å; W98-T102 HydrophobicContact CZ3-CG2 4.43Å; W98-T102 WeakPolarHBondContact O-CB 3.22Å; W98-T102 VanDerWaalsContact O-CG2 3.28Å; W98-T102 WeakPolarHBondContact O-CG2 3.48Å; W98-T102 PolarHBondContact O-N 3.4Å; W98-T102 PolarHBondContact O-OG1 3.08Å; F100-T102 PolarHBondContact O-N 2.94Å; T102-I392 HydrophobicContact CG2-CD1 3.51Å; T102-R399 WeakPolarHBondContact O-CD 3.43Å; T102-R399 PolarHBondContact O-NE 3.01Å; T102-K419 HydrophobicContact CG2-CD 3.85Å
103	N	87.3	Confident	84.8	Confident	38 Å²	38	43 Å²	43	20%	0.203	22%	0.221	C	C	.	.	S	Bend	trans	-159.7	96.7	172.9	-178.3	8.6	0	0	0	108.4	Q99 F100 T105 R108 R399 D400	Q99-N103 PolarHBondContact O-N 3.33Å; F100-N103 CarbonylContact O-C 3.55Å; F100-N103 VanDerWaalsContact O-C 3.27Å; F100-N103 PolarHBondContact O-N 2.9Å; N103-T105 PolarHBondContact O-N 2.91Å; N103-R108 VanDerWaalsContact CB-NH1 3.27Å; N103-R108 VanDerWaalsContact ND2-CZ 3.33Å; N103-R108 PolarHBondContact ND2-NH2 3.17Å; N103-R108 WeakPolarHBondContact O-CD 3.38Å; N103-R399 HydrophobicContact CB-CG 4.5Å; N103-D400 CarbonylContact C-O 3.56Å; N103-D400 WeakPolarHBondContact CA-O 3.18Å
104	M	80.9	Confident	84.5	Confident	55 Å²	55	44.2 Å²	44.2	27%	0.271	22%	0.224	S	C	.	.			trans	-79.3	113.8	-172.5	-66.2	176.2	66.9	0	0	110.7	L25 F100 D400 V402	L25-M104 HydrophobicContact CD1-CE 4Å; L25-M104 HydrophobicContact CD2-CE 3.53Å; L25-M104 HydrophobicContact CG-CE 4.45Å; F100-M104 HydrophobicContact CE2-CB 4.27Å; F100-M104 HydrophobicContact CE2-CE 4.42Å; F100-M104 HydrophobicContact CE2-CG 4.26Å; F100-M104 HydrophobicContact CZ-CE 3.97Å; F100-M104 HydrophobicContact CZ-CG 4.48Å; F100-M104 WeakPolarHBondContact O-CA 3.32Å; F100-M104 WeakPolarHBondContact O-CG 3.49Å; F100-M104 PolarHBondContact O-N 2.8Å; M104-D400 HydrophobicContact CB-CB 4.5Å; M104-D400 PolarHBondContact N-O 3.21Å; M104-V402 HydrophobicContact SD-CG2 3.75Å
105	T	83.9	Confident	84.2	Confident	44 Å²	44	43.2 Å²	43.2	27%	0.27	22%	0.217	S	C	.	.			trans	-138.8	157.7	173.3	58.3	0	0	0	0	109.5	N103 A107 R108 R109	N103-T105 PolarHBondContact O-N 2.91Å; T105-A107 VanDerWaalsContact C-N 3.34Å; T105-A107 PolarHBondContact O-N 3.37Å; T105-R108 PolarHBondContact O-N 3.19Å; T105-R108 WeakPolarHBondContact OG1-CB 3.48Å; T105-R108 WeakPolarHBondContact OG1-CD 3.17Å; T105-R108 VanDerWaalsContact OG1-CG 3.25Å; T105-R108 WeakPolarHBondContact OG1-CG 3.24Å; T105-R108 PolarHBondContact OG1-N 2.89Å; T105-R109 PolarHBondContact O-N 2.87Å
106	E	82.4	Confident	83.4	Confident	92 Å²	92	44.1 Å²	44.1	43%	0.43	22%	0.221	S	C	.	.	H	α-helix	trans	-62	-41	178.4	-178.8	162.8	-148.3	0	0	112.4	R108 R109 K110	E106-R108 VanDerWaalsContact C-N 3.34Å; E106-R108 PolarHBondContact O-N 2.74Å; E106-R109 WeakPolarHBondContact O-CB 3.27Å; E106-R109 PolarHBondContact O-N 3.22Å; E106-R109 IonicContact OE1-NH2 2.88Å; E106-R109 PolarHBondContact OE1-NH2 2.97Å; E106-K110 PolarHBondContact O-N 3.33Å
107	A	87.6	Confident	83	Confident	75 Å²	75	50.3 Å²	50.3	62%	0.62	25%	0.25	S	C	*	.	H	α-helix	trans	-58.1	-45.1	176.4	0	0	0	0	0	112	T105 K110 N111	T105-A107 VanDerWaalsContact C-N 3.34Å; T105-A107 PolarHBondContact O-N 3.37Å; A107-K110 PolarHBondContact O-N 2.88Å; A107-N111 WeakPolarHBondContact O-CB 3.37Å; A107-N111 PolarHBondContact O-N 3.34Å
108	R	83.1	Confident	82.7	Confident	76 Å²	76	50.6 Å²	50.6	29%	0.287	25%	0.25	S	C	.	.	H	α-helix	trans	-70.4	-32.9	177.3	-68	172	-171.4	-138.1	1.6	112.5	Q99 F100 N103 T105 E106 N111 L112	Q99-R108 WeakPolarHBondContact O-CD 3.45Å; Q99-R108 PolarHBondContact O-NH1 3.31Å; F100-R108 HydrophobicContact CB-CB 4.24Å; F100-R108 HydrophobicContact CD2-CB 4.24Å; N103-R108 VanDerWaalsContact CB-NH1 3.27Å; N103-R108 VanDerWaalsContact ND2-CZ 3.33Å; N103-R108 PolarHBondContact ND2-NH2 3.17Å; N103-R108 WeakPolarHBondContact O-CD 3.38Å; T105-R108 PolarHBondContact O-N 3.19Å; T105-R108 WeakPolarHBondContact OG1-CB 3.48Å; T105-R108 WeakPolarHBondContact OG1-CD 3.17Å; T105-R108 VanDerWaalsContact OG1-CG 3.25Å; T105-R108 WeakPolarHBondContact OG1-CG 3.24Å; T105-R108 PolarHBondContact OG1-N 2.89Å; E106-R108 VanDerWaalsContact C-N 3.34Å; E106-R108 PolarHBondContact O-N 2.74Å; R108-N111 PolarHBondContact O-N 3.19Å; R108-L112 WeakPolarHBondContact O-CB 3.18Å; R108-L112 PolarHBondContact O-N 2.67Å
109	R	79.2	Confident	82.4	Confident	88 Å²	88	50.7 Å²	50.7	33%	0.332	25%	0.252	S	S	.	.	H	α-helix	trans	-61.8	-48.2	172.2	-173.1	-177.4	68.7	132.2	-3.3	110.7	F100 T105 E106 N111 L112 V113	F100-R109 HydrophobicContact CD2-CB 4.03Å; F100-R109 HydrophobicContact CE2-CB 3.66Å; F100-R109 HydrophobicContact CE2-CG 4.11Å; F100-R109 HydrophobicContact CZ-CB 4.3Å; F100-R109 HydrophobicContact CZ-CG 4.25Å; T105-R109 PolarHBondContact O-N 2.87Å; E106-R109 WeakPolarHBondContact O-CB 3.27Å; E106-R109 PolarHBondContact O-N 3.22Å; E106-R109 IonicContact OE1-NH2 2.88Å; E106-R109 PolarHBondContact OE1-NH2 2.97Å; R109-N111 VanDerWaalsContact C-N 3.33Å; R109-N111 PolarHBondContact O-N 3.02Å; R109-L112 PolarHBondContact O-N 2.78Å; R109-V113 WeakPolarHBondContact O-CG2 3.39Å; R109-V113 PolarHBondContact O-N 2.92Å
110	K	83	Confident	81.8	Confident	149 Å²	149	49.7 Å²	49.7	65%	0.648	25%	0.25	S	S	*	.	H	α-helix	trans	-60.1	-44.4	177.5	-173.8	-178.6	174.8	-170.7	0	111.2	E106 A107 L112 V113 E114	E106-K110 PolarHBondContact O-N 3.33Å; A107-K110 PolarHBondContact O-N 2.88Å; K110-L112 PolarHBondContact O-N 2.7Å; K110-V113 PolarHBondContact O-N 3.3Å; K110-E114 PolarHBondContact O-N 3.42Å; K110-E114 VanDerWaalsContact O-N 3.12Å
111	N	82.7	Confident	81.6	Confident	36 Å²	36	52 Å²	52	19%	0.193	26%	0.261	C	S	.	.	H	α-helix	trans	-60.5	-44.3	175.6	-169.3	21.3	0	0	0	112.3	A107 R108 R109 V113 E114 F115	A107-N111 WeakPolarHBondContact O-CB 3.37Å; A107-N111 PolarHBondContact O-N 3.34Å; R108-N111 PolarHBondContact O-N 3.19Å; R109-N111 VanDerWaalsContact C-N 3.33Å; R109-N111 PolarHBondContact O-N 3.02Å; N111-V113 PolarHBondContact O-N 3.3Å; N111-E114 PolarHBondContact O-N 3.38Å; N111-F115 WeakPolarHBondContact O-CD2 3.32Å; N111-F115 PolarHBondContact O-N 3Å; N111-F115 VanDerWaalsContact O-N 3.14Å; N111-F115 WeakPolarHBondContact OD1-CD2 3.46Å; N111-F115 WeakPolarHBondContact OD1-CE2 3.45Å
112	L	82.5	Confident	81.9	Confident	4 Å²	4	51.9 Å²	51.9	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-58.8	-47.7	175.4	173.7	59	0	0	0	111.8	A96 F100 R108 R109 K110 E114 F115 E116	A96-L112 HydrophobicContact CB-CD1 4.46Å; F100-L112 HydrophobicContact CB-CB 4.47Å; F100-L112 HydrophobicContact CB-CD2 4.12Å; F100-L112 HydrophobicContact CD1-CD2 3.48Å; F100-L112 VanDerWaalsContact CD1-CD2 3.48Å; F100-L112 HydrophobicContact CE1-CD2 4.16Å; F100-L112 HydrophobicContact CG-CD2 4Å; R108-L112 WeakPolarHBondContact O-CB 3.18Å; R108-L112 PolarHBondContact O-N 2.67Å; R109-L112 PolarHBondContact O-N 2.78Å; K110-L112 PolarHBondContact O-N 2.7Å; L112-E114 VanDerWaalsContact C-N 3.28Å; L112-E114 PolarHBondContact O-N 3.25Å; L112-F115 PolarHBondContact O-N 3.04Å; L112-E116 HydrophobicContact CD1-CG 3.98Å; L112-E116 HydrophobicContact CG-CG 4.35Å; L112-E116 WeakPolarHBondContact O-CG 3.3Å; L112-E116 PolarHBondContact O-N 2.86Å
113	V	77	Confident	81.9	Confident	50 Å²	50	54.4 Å²	54.4	30%	0.303	27%	0.274	S	S	.	.	H	α-helix	trans	-57.7	-42.7	179.2	171	0	0	0	0	111.3	L26 R109 K110 N111 E116 E117	L26-V113 HydrophobicContact CD2-CG2 3.56Å; R109-V113 WeakPolarHBondContact O-CG2 3.39Å; R109-V113 PolarHBondContact O-N 2.92Å; K110-V113 PolarHBondContact O-N 3.3Å; N111-V113 PolarHBondContact O-N 3.3Å; V113-E116 PolarHBondContact O-N 3.04Å; V113-E117 WeakPolarHBondContact O-CG 3.5Å; V113-E117 PolarHBondContact O-N 3.27Å
114	E	81	Confident	81.8	Confident	48 Å²	48	57.3 Å²	57.3	22%	0.224	28%	0.282	C	S	.	.	H	α-helix	trans	-63.6	-42	178.9	-172.2	-179.7	157.1	0	0	112.5	T49 K110 N111 L112 E117 T118	T49-E114 VanDerWaalsContact CB-OE1 3.24Å; T49-E114 WeakPolarHBondContact CB-OE1 3.39Å; T49-E114 HydrophobicContact CG2-CG 3.52Å; T49-E114 WeakPolarHBondContact CG2-OE1 3.17Å; T49-E114 PolarHBondContact OG1-OE1 3.49Å; K110-E114 PolarHBondContact O-N 3.42Å; K110-E114 VanDerWaalsContact O-N 3.12Å; N111-E114 PolarHBondContact O-N 3.38Å; L112-E114 VanDerWaalsContact C-N 3.28Å; L112-E114 PolarHBondContact O-N 3.25Å; E114-E117 PolarHBondContact O-N 2.82Å; E114-T118 PolarHBondContact O-N 2.97Å; E114-T118 VanDerWaalsContact O-N 3.07Å; E114-T118 PolarHBondContact O-OG1 3.39Å
115	F	80.6	Confident	82.2	Confident	10 Å²	10	54.7 Å²	54.7	4%	0.044	27%	0.269	C	S	.	.	H	α-helix	trans	-70.9	-32.5	175	-82.4	-65.1	0	0	0	113.2	Y48 L92 A96 N111 L112 T118 T119	Y48-F115 HydrophobicContact CD2-CZ 4.43Å; Y48-F115 HydrophobicContact CG-CZ 4.03Å; L92-F115 HydrophobicContact CB-CD1 3.98Å; L92-F115 HydrophobicContact CB-CE1 3.51Å; L92-F115 HydrophobicContact CB-CZ 4.02Å; L92-F115 HydrophobicContact CD1-CE1 4.05Å; L92-F115 HydrophobicContact CG-CE1 4.3Å; A96-F115 HydrophobicContact CB-CB 4.21Å; A96-F115 HydrophobicContact CB-CD2 3.46Å; A96-F115 VanDerWaalsContact CB-CD2 3.46Å; A96-F115 HydrophobicContact CB-CE2 4.13Å; A96-F115 HydrophobicContact CB-CG 4.1Å; N111-F115 WeakPolarHBondContact O-CD2 3.32Å; N111-F115 PolarHBondContact O-N 3Å; N111-F115 VanDerWaalsContact O-N 3.14Å; N111-F115 WeakPolarHBondContact OD1-CD2 3.46Å; N111-F115 WeakPolarHBondContact OD1-CE2 3.45Å; L112-F115 PolarHBondContact O-N 3.04Å; F115-T118 PolarHBondContact O-N 3.43Å; F115-T119 WeakPolarHBondContact O-CB 3.23Å; F115-T119 PolarHBondContact O-N 2.9Å; F115-T119 PolarHBondContact O-OG1 3.48Å
116	E	74.3	Confident	82.7	Confident	53 Å²	53	52.7 Å²	52.7	25%	0.248	26%	0.257	C	S	.	.	H	α-helix	trans	-63.9	-45.8	172.2	-76	179.6	162.2	0	0	110.9	I22 L26 L112 V113 T118 T119 V120	I22-E116 WeakPolarHBondContact CG2-OE1 3.14Å; L26-E116 VanDerWaalsContact CD1-OE2 3.23Å; L26-E116 WeakPolarHBondContact CD1-OE2 3.37Å; L112-E116 HydrophobicContact CD1-CG 3.98Å; L112-E116 HydrophobicContact CG-CG 4.35Å; L112-E116 WeakPolarHBondContact O-CG 3.3Å; L112-E116 PolarHBondContact O-N 2.86Å; V113-E116 PolarHBondContact O-N 3.04Å; E116-T118 VanDerWaalsContact C-N 3.32Å; E116-T118 PolarHBondContact O-N 3.4Å; E116-T119 WeakPolarHBondContact O-CB 3.46Å; E116-T119 PolarHBondContact O-N 2.94Å; E116-T119 VanDerWaalsContact O-N 3.16Å; E116-V120 WeakPolarHBondContact O-CG2 3.37Å; E116-V120 PolarHBondContact O-N 3.49Å
117	E	76.9	Confident	83.1	Confident	133 Å²	133	48.3 Å²	48.3	62%	0.621	24%	0.236	S	C	*	.	H	α-helix	trans	-58.8	-43.7	175.3	-73.3	-176.4	165.9	0	0	111.9	V113 E114 T119 V120 E121	V113-E117 WeakPolarHBondContact O-CG 3.5Å; V113-E117 PolarHBondContact O-N 3.27Å; E114-E117 PolarHBondContact O-N 2.82Å; E117-T119 PolarHBondContact O-N 3.33Å; E117-V120 WeakPolarHBondContact O-CB 3.4Å; E117-V120 PolarHBondContact O-N 2.93Å; E117-E121 PolarHBondContact O-N 3.47Å
118	T	80.6	Confident	83.3	Confident	14 Å²	14	49.3 Å²	49.3	9%	0.086	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-41.7	175.3	-57.9	0	0	0	0	112	L52 W58 E114 F115 E116 V120 E121 F122	L52-T118 HydrophobicContact CD1-CG2 3.45Å; L52-T118 VanDerWaalsContact CD1-CG2 3.45Å; W58-T118 HydrophobicContact CH2-CG2 4.09Å; E114-T118 PolarHBondContact O-N 2.97Å; E114-T118 VanDerWaalsContact O-N 3.07Å; E114-T118 PolarHBondContact O-OG1 3.39Å; F115-T118 PolarHBondContact O-N 3.43Å; E116-T118 VanDerWaalsContact C-N 3.32Å; E116-T118 PolarHBondContact O-N 3.4Å; T118-V120 VanDerWaalsContact C-N 3.29Å; T118-V120 PolarHBondContact O-N 3.48Å; T118-E121 PolarHBondContact O-N 2.87Å; T118-F122 PolarHBondContact O-N 3.05Å
119	T	83	Confident	83.9	Confident	19 Å²	19	46.9 Å²	46.9	12%	0.117	22%	0.215	C	C	.	.	H	α-helix	trans	-63.4	-38.8	176.3	-56.4	0	0	0	0	110.7	Y90 S93 F115 E116 E117 F122 L123	Y90-T119 HydrophobicContact CD1-CG2 4.41Å; Y90-T119 HydrophobicContact CE1-CG2 4.15Å; S93-T119 WeakPolarHBondContact CB-OG1 3.27Å; S93-T119 PolarHBondContact OG-OG1 2.98Å; S93-T119 VanDerWaalsContact OG-OG1 3.05Å; F115-T119 WeakPolarHBondContact O-CB 3.23Å; F115-T119 PolarHBondContact O-N 2.9Å; F115-T119 PolarHBondContact O-OG1 3.48Å; E116-T119 WeakPolarHBondContact O-CB 3.46Å; E116-T119 PolarHBondContact O-N 2.94Å; E116-T119 VanDerWaalsContact O-N 3.16Å; E117-T119 PolarHBondContact O-N 3.33Å; T119-F122 WeakPolarHBondContact O-CB 3.44Å; T119-F122 PolarHBondContact O-N 2.65Å; T119-L123 HydrophobicContact CG2-CD1 4.27Å; T119-L123 VanDerWaalsContact O-CG 3.27Å; T119-L123 WeakPolarHBondContact O-CG 3.4Å; T119-L123 PolarHBondContact O-N 2.83Å
120	V	78.6	Confident	84.6	Confident	42 Å²	42	42.8 Å²	42.8	26%	0.255	20%	0.2	S	C	.	.	H	α-helix	trans	-65.3	-44.5	175.4	169.6	0	0	0	0	111.3	E116 E117 T118 F122 L123 R124 H156	E116-V120 WeakPolarHBondContact O-CG2 3.37Å; E116-V120 PolarHBondContact O-N 3.49Å; E117-V120 WeakPolarHBondContact O-CB 3.4Å; E117-V120 PolarHBondContact O-N 2.93Å; T118-V120 VanDerWaalsContact C-N 3.29Å; T118-V120 PolarHBondContact O-N 3.48Å; V120-F122 VanDerWaalsContact C-N 3.33Å; V120-F122 PolarHBondContact O-N 2.94Å; V120-L123 PolarHBondContact O-N 3.21Å; V120-R124 VanDerWaalsContact O-CG 3.32Å; V120-R124 WeakPolarHBondContact O-CG 3.32Å; V120-R124 PolarHBondContact O-N 3.35Å; V120-R124 VanDerWaalsContact O-N 3.08Å; V120-H156 WeakPolarHBondContact CG1-ND1 3.27Å; V120-H156 VanDerWaalsContact CG2-CE1 3.4Å; V120-H156 WeakPolarHBondContact CG2-CE1 3.37Å
121	E	82.9	Confident	85.2	Confident	56 Å²	56	36.9 Å²	36.9	26%	0.262	18%	0.175	S	C	.	.	H	α-helix	trans	-58.9	-45.8	175.2	-173.4	176.8	-164.8	0	0	111.1	R54 W58 E117 T118 L123 R124 V125	R54-E121 IonicContact CZ-OE1 3.88Å; R54-E121 IonicContact NH2-OE1 3.08Å; R54-E121 PolarHBondContact NH2-OE1 3.42Å; R54-E121 VanDerWaalsContact NH2-OE1 3.14Å; R54-E121 IonicContact NH2-OE2 3.55Å; R54-E121 PolarHBondContact NH2-OE2 2.91Å; R54-E121 VanDerWaalsContact NH2-OE2 3.08Å; W58-E121 HydrophobicContact CE3-CG 4.34Å; W58-E121 HydrophobicContact CZ3-CB 4.27Å; W58-E121 HydrophobicContact CZ3-CG 4.14Å; E117-E121 PolarHBondContact O-N 3.47Å; T118-E121 PolarHBondContact O-N 2.87Å; E121-L123 PolarHBondContact O-N 2.83Å; E121-R124 PolarHBondContact O-N 3.21Å; E121-V125 PolarHBondContact O-N 3.34Å
122	F	86.6	Confident	85.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-55.3	-53.6	175.5	177.9	-111.8	0	0	0	111.8	Y57 W58 Y82 E85 A86 V89 Y90 T118 T119 V120 R124 V125 T126	Y57-F122 HydrophobicContact CD1-CE2 4.24Å; Y57-F122 HydrophobicContact CE1-CD2 4.05Å; Y57-F122 AromaticContact CE1-CE2 3.54Å; Y57-F122 HydrophobicContact CE1-CE2 3.54Å; Y57-F122 HydrophobicContact CE1-CZ 4.46Å; W58-F122 HydrophobicContact CH2-CB 3.55Å; W58-F122 AromaticContact CH2-CD2 3.94Å; W58-F122 HydrophobicContact CH2-CD2 3.94Å; W58-F122 HydrophobicContact CH2-CG 4.18Å; W58-F122 HydrophobicContact CZ2-CB 4.33Å; W58-F122 AromaticContact CZ2-CD2 3.86Å; W58-F122 HydrophobicContact CZ2-CD2 3.86Å; W58-F122 HydrophobicContact CZ2-CG 4.5Å; W58-F122 HydrophobicContact CZ3-CB 3.9Å; Y82-F122 HydrophobicContact CD2-CE1 4.34Å; Y82-F122 AromaticContact CD2-CZ 3.72Å; Y82-F122 HydrophobicContact CD2-CZ 3.72Å; Y82-F122 AromaticContact CE2-CE1 3.86Å; Y82-F122 HydrophobicContact CE2-CE1 3.86Å; Y82-F122 AromaticContact CE2-CZ 3.7Å; Y82-F122 HydrophobicContact CE2-CZ 3.7Å; E85-F122 HydrophobicContact CB-CE2 3.75Å; E85-F122 HydrophobicContact CB-CZ 4.37Å; A86-F122 HydrophobicContact CB-CE1 4Å; A86-F122 HydrophobicContact CB-CZ 3.74Å; V89-F122 HydrophobicContact CB-CD1 4.43Å; V89-F122 HydrophobicContact CB-CG 4.41Å; V89-F122 HydrophobicContact CG1-CB 4.09Å; V89-F122 HydrophobicContact CG1-CD1 4.08Å; V89-F122 HydrophobicContact CG1-CG 4.08Å; V89-F122 HydrophobicContact CG2-CB 4.49Å; V89-F122 HydrophobicContact CG2-CD2 4.1Å; V89-F122 HydrophobicContact CG2-CG 4.16Å; Y90-F122 HydrophobicContact CE2-CE1 4.38Å; T118-F122 PolarHBondContact O-N 3.05Å; T119-F122 WeakPolarHBondContact O-CB 3.44Å; T119-F122 PolarHBondContact O-N 2.65Å; V120-F122 VanDerWaalsContact C-N 3.33Å; V120-F122 PolarHBondContact O-N 2.94Å; F122-R124 VanDerWaalsContact C-N 3.26Å; F122-R124 PolarHBondContact O-N 2.88Å; F122-V125 PolarHBondContact O-N 3.45Å; F122-T126 WeakPolarHBondContact O-CB 3.36Å; F122-T126 PolarHBondContact O-N 3.2Å; F122-T126 PolarHBondContact O-OG1 2.87Å; F122-T126 VanDerWaalsContact O-OG1 3.05Å
123	L	85.6	Confident	86.5	Confident	61 Å²	61	36.1 Å²	36.1	32%	0.319	17%	0.169	S	C	.	.	H	α-helix	trans	-57.9	-39	-179.4	-72.7	171.2	0	0	0	112.1	Y90 T119 V120 E121 A127	Y90-L123 WeakPolarHBondContact OH-CD2 3.49Å; T119-L123 HydrophobicContact CG2-CD1 4.27Å; T119-L123 VanDerWaalsContact O-CG 3.27Å; T119-L123 WeakPolarHBondContact O-CG 3.4Å; T119-L123 PolarHBondContact O-N 2.83Å; V120-L123 PolarHBondContact O-N 3.21Å; E121-L123 PolarHBondContact O-N 2.83Å; L123-A127 VanDerWaalsContact O-CB 3.28Å; L123-A127 WeakPolarHBondContact O-CB 3.11Å; L123-A127 PolarHBondContact O-N 3.01Å
124	R	85.2	Confident	87.4	Confident	98 Å²	98	36 Å²	36	37%	0.37	17%	0.167	S	C	.	.	H	α-helix	trans	-67.9	-47.3	178.2	-69	179.1	82.8	-164.7	2.2	112	W60 V120 E121 F122 A127 R128 H156	W60-R124 HydrophobicContact CH2-CB 3.89Å; W60-R124 HydrophobicContact CZ2-CB 4.05Å; V120-R124 VanDerWaalsContact O-CG 3.32Å; V120-R124 WeakPolarHBondContact O-CG 3.32Å; V120-R124 PolarHBondContact O-N 3.35Å; V120-R124 VanDerWaalsContact O-N 3.08Å; E121-R124 PolarHBondContact O-N 3.21Å; F122-R124 VanDerWaalsContact C-N 3.26Å; F122-R124 PolarHBondContact O-N 2.88Å; R124-A127 PolarHBondContact O-N 3.41Å; R124-R128 WeakPolarHBondContact O-CB 3.3Å; R124-R128 WeakPolarHBondContact O-CG 3.3Å; R124-R128 PolarHBondContact O-N 2.88Å; R124-H156 HydrophobicContact CG-CB 3.66Å; R124-H156 PolarHBondContact NE-O 3.08Å
125	V	90.6	Very high	87.9	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.9	-49.4	175.8	164.4	0	0	0	0	110.5	Y57 W60 E121 F122 A127 R128 R129	Y57-V125 HydrophobicContact CD1-CG1 4.2Å; Y57-V125 HydrophobicContact CE1-CG1 4.1Å; Y57-V125 WeakPolarHBondContact O-CG1 3.43Å; W60-V125 HydrophobicContact CD2-CG2 4.07Å; W60-V125 HydrophobicContact CG-CG2 4.45Å; W60-V125 HydrophobicContact CH2-CG2 4.36Å; W60-V125 HydrophobicContact CZ2-CB 4.48Å; W60-V125 HydrophobicContact CZ2-CG2 3.48Å; W60-V125 VanDerWaalsContact CZ2-CG2 3.48Å; W60-V125 VanDerWaalsContact NE1-CG2 3.28Å; E121-V125 PolarHBondContact O-N 3.34Å; F122-V125 PolarHBondContact O-N 3.45Å; V125-A127 VanDerWaalsContact C-N 3.31Å; V125-A127 PolarHBondContact O-N 3.38Å; V125-R128 PolarHBondContact O-N 2.97Å; V125-R129 HydrophobicContact CG1-CG 4.4Å; V125-R129 WeakPolarHBondContact O-CB 3.37Å; V125-R129 WeakPolarHBondContact O-CG 3.28Å; V125-R129 PolarHBondContact O-N 3.5Å
126	T	92.7	Very high	88.4	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.012	19%	0.19	C	C	.	.	H	α-helix	trans	-57.1	-45.2	178.7	-65.8	0	0	0	0	111.4	Y57 F78 Y82 F122 R128 R129 A130 L150	Y57-T126 PolarHBondContact OH-OG1 2.95Å; F78-T126 HydrophobicContact CZ-CG2 4.4Å; Y82-T126 HydrophobicContact CD2-CG2 3.55Å; Y82-T126 HydrophobicContact CE2-CG2 3.73Å; F122-T126 WeakPolarHBondContact O-CB 3.36Å; F122-T126 PolarHBondContact O-N 3.2Å; F122-T126 PolarHBondContact O-OG1 2.87Å; F122-T126 VanDerWaalsContact O-OG1 3.05Å; T126-R128 PolarHBondContact O-N 2.77Å; T126-R129 PolarHBondContact O-N 3.19Å; T126-A130 VanDerWaalsContact O-CB 3.31Å; T126-A130 WeakPolarHBondContact O-CB 3.31Å; T126-A130 PolarHBondContact O-N 2.94Å; T126-L150 HydrophobicContact CG2-CB 4.09Å; T126-L150 HydrophobicContact CG2-CD1 4.21Å; T126-L150 HydrophobicContact CG2-CD2 3.91Å; T126-L150 HydrophobicContact CG2-CG 4.28Å
127	A	91.4	Very high	89.4	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.3	-41	-179.9	0	0	0	0	0	112.5	L123 R124 V125 A130 Q131 L150 E153	L123-A127 VanDerWaalsContact O-CB 3.28Å; L123-A127 WeakPolarHBondContact O-CB 3.11Å; L123-A127 PolarHBondContact O-N 3.01Å; R124-A127 PolarHBondContact O-N 3.41Å; V125-A127 VanDerWaalsContact C-N 3.31Å; V125-A127 PolarHBondContact O-N 3.38Å; A127-A130 PolarHBondContact O-N 3.34Å; A127-Q131 WeakPolarHBondContact O-CB 3.5Å; A127-Q131 WeakPolarHBondContact O-CG 3.2Å; A127-Q131 PolarHBondContact O-N 3.35Å; A127-L150 WeakPolarHBondContact CA-O 3.24Å; A127-L150 VanDerWaalsContact CB-O 3.24Å; A127-L150 WeakPolarHBondContact CB-O 3.21Å; A127-E153 HydrophobicContact CB-CB 4.44Å; A127-E153 HydrophobicContact CB-CG 3.47Å; A127-E153 VanDerWaalsContact CB-CG 3.47Å
128	R	92.1	Very high	90.3	Very high	96 Å²	96	33.5 Å²	33.5	36%	0.362	17%	0.166	S	C	.	.	H	α-helix	trans	-68.9	-39.8	178.7	-67.2	-76.2	179.7	-171.6	0.5	112.2	W60 I63 R124 V125 T126 Q131 Q132 E153	W60-R128 HydrophobicContact CH2-CG 4.18Å; W60-R128 HydrophobicContact CZ3-CB 4.24Å; W60-R128 HydrophobicContact CZ3-CG 3.76Å; I63-R128 HydrophobicContact CD1-CB 3.78Å; I63-R128 HydrophobicContact CG2-CB 4.34Å; R124-R128 WeakPolarHBondContact O-CB 3.3Å; R124-R128 WeakPolarHBondContact O-CG 3.3Å; R124-R128 PolarHBondContact O-N 2.88Å; V125-R128 PolarHBondContact O-N 2.97Å; T126-R128 PolarHBondContact O-N 2.77Å; R128-Q131 PolarHBondContact O-N 2.83Å; R128-Q132 PolarHBondContact O-N 3.22Å; R128-E153 VanDerWaalsContact CZ-CD 3.45Å; R128-E153 IonicContact CZ-OE1 3.96Å; R128-E153 IonicContact CZ-OE2 3.82Å; R128-E153 VanDerWaalsContact CZ-OE2 3.26Å; R128-E153 VanDerWaalsContact NE-CD 3.3Å; R128-E153 IonicContact NE-OE1 2.78Å; R128-E153 PolarHBondContact NE-OE1 3.01Å; R128-E153 IonicContact NE-OE2 3.81Å; R128-E153 PolarHBondContact NE-OE2 2.72Å; R128-E153 VanDerWaalsContact NE-OE2 3.09Å; R128-E153 IonicContact NH1-OE1 3.31Å; R128-E153 PolarHBondContact NH1-OE1 3.01Å; R128-E153 VanDerWaalsContact NH2-CD 3.28Å; R128-E153 IonicContact NH2-OE1 3.49Å; R128-E153 PolarHBondContact NH2-OE1 3.39Å; R128-E153 IonicContact NH2-OE2 3.74Å; R128-E153 PolarHBondContact NH2-OE2 3.47Å
129	R	95	Very high	91	Very high	25 Å²	25	37.2 Å²	37.2	9%	0.094	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-48.1	169.8	-74.3	-176.4	177.6	-80.4	-5.9	111.4	E56 Y57 D59 T62 I63 F78 V125 T126 Q131 Q132 Y133	E56-R129 PolarHBondContact O-NH2 2.84Å; Y57-R129 VanDerWaalsContact C-NH2 3.33Å; Y57-R129 PolarHBondContact O-NE 2.94Å; Y57-R129 PolarHBondContact O-NH2 3.34Å; D59-R129 PolarHBondContact O-NH2 3.46Å; T62-R129 PolarHBondContact OG1-NH1 3.06Å; T62-R129 PolarHBondContact OG1-NH2 3.49Å; I63-R129 HydrophobicContact CD1-CG 3.95Å; I63-R129 HydrophobicContact CG1-CG 3.85Å; F78-R129 HydrophobicContact CD2-CB 3.98Å; F78-R129 HydrophobicContact CE2-CB 3.37Å; F78-R129 HydrophobicContact CE2-CG 4.28Å; F78-R129 HydrophobicContact CZ-CB 3.92Å; V125-R129 HydrophobicContact CG1-CG 4.4Å; V125-R129 WeakPolarHBondContact O-CB 3.37Å; V125-R129 WeakPolarHBondContact O-CG 3.28Å; V125-R129 PolarHBondContact O-N 3.5Å; T126-R129 PolarHBondContact O-N 3.19Å; R129-Q131 VanDerWaalsContact C-N 3.26Å; R129-Q131 PolarHBondContact O-N 3.2Å; R129-Q132 WeakPolarHBondContact O-CB 3.5Å; R129-Q132 WeakPolarHBondContact O-CG 3.37Å; R129-Q132 PolarHBondContact O-N 3.5Å; R129-Q132 VanDerWaalsContact O-N 3.08Å; R129-Y133 WeakPolarHBondContact O-CD2 3.5Å
130	A	95.4	Very high	91.5	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.017	20%	0.201	C	C	.	.	H	α-helix	trans	-61.2	-34.9	178	0	0	0	0	0	112.4	F78 T126 A127 Q132 Y133 L147 L150	F78-A130 HydrophobicContact CE1-CB 3.97Å; F78-A130 HydrophobicContact CZ-CB 4.01Å; T126-A130 VanDerWaalsContact O-CB 3.31Å; T126-A130 WeakPolarHBondContact O-CB 3.31Å; T126-A130 PolarHBondContact O-N 2.94Å; A127-A130 PolarHBondContact O-N 3.34Å; A130-Q132 PolarHBondContact O-N 2.81Å; A130-Y133 PolarHBondContact O-N 3.02Å; A130-L147 HydrophobicContact CB-CD2 4.48Å; A130-L150 HydrophobicContact CB-CB 3.8Å
131	Q	93.9	Very high	92.2	Very high	26 Å²	26	43.6 Å²	43.6	12%	0.121	22%	0.22	C	C	.	.	H	α-helix	trans	-65.1	-21.4	176.3	-76.8	170.3	14.9	0	0	113.6	K66 G67 A127 R128 R129 Y133 S151 E153	K66-Q131 CarbonylContact C-O 3.35Å; K66-Q131 VanDerWaalsContact CA-O 3.24Å; K66-Q131 WeakPolarHBondContact CA-O 3.34Å; K66-Q131 HydrophobicContact CG-CB 4.23Å; K66-Q131 WeakPolarHBondContact CG-O 3.45Å; G67-Q131 PolarHBondContact N-O 2.85Å; A127-Q131 WeakPolarHBondContact O-CB 3.5Å; A127-Q131 WeakPolarHBondContact O-CG 3.2Å; A127-Q131 PolarHBondContact O-N 3.35Å; R128-Q131 PolarHBondContact O-N 2.83Å; R129-Q131 VanDerWaalsContact C-N 3.26Å; R129-Q131 PolarHBondContact O-N 3.2Å; Q131-Y133 PolarHBondContact O-N 2.89Å; Q131-S151 PolarHBondContact NE2-O 3.14Å; Q131-E153 PolarHBondContact NE2-OE1 3.01Å
132	Q	96.3	Very high	92.6	Very high	9 Å²	9	44.3 Å²	44.3	4%	0.042	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-21.9	179.5	88.2	-165.8	-8.3	0	0	112.7	R64 G67 S68 V69 R128 R129 A130	R64-Q132 HydrophobicContact CB-CB 4.23Å; R64-Q132 VanDerWaalsContact N-OE1 3.11Å; R64-Q132 WeakPolarHBondContact O-CB 3.44Å; G67-Q132 CarbonylContact C-O 3.47Å; G67-Q132 WeakPolarHBondContact CA-O 3.33Å; G67-Q132 PolarHBondContact N-O 3.09Å; S68-Q132 PolarHBondContact N-O 2.97Å; V69-Q132 HydrophobicContact CB-CG 4.33Å; V69-Q132 HydrophobicContact CG2-CB 4.41Å; V69-Q132 HydrophobicContact CG2-CG 3.85Å; V69-Q132 PolarHBondContact N-O 3.4Å; R128-Q132 PolarHBondContact O-N 3.22Å; R129-Q132 WeakPolarHBondContact O-CB 3.5Å; R129-Q132 WeakPolarHBondContact O-CG 3.37Å; R129-Q132 PolarHBondContact O-N 3.5Å; R129-Q132 VanDerWaalsContact O-N 3.08Å; A130-Q132 PolarHBondContact O-N 2.81Å
133	Y	97.2	Very high	93	Very high	15 Å²	15	44.5 Å²	44.5	6%	0.059	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-87.1	135.8	-178.7	-61.5	-80.9	0	0	0	112.6	V69 D74 A75 F78 R129 A130 Q131 A135 L147	V69-Y133 HydrophobicContact CB-CD1 3.81Å; V69-Y133 HydrophobicContact CB-CE1 4.01Å; V69-Y133 HydrophobicContact CG1-CD1 3.67Å; V69-Y133 HydrophobicContact CG1-CE1 3.52Å; V69-Y133 CarbonylContact O-C 2.92Å; V69-Y133 WeakPolarHBondContact O-CA 3.24Å; D74-Y133 HydrophobicContact CB-CE1 4.33Å; D74-Y133 PolarHBondContact O-OH 3.08Å; D74-Y133 WeakPolarHBondContact OD2-CE1 3.46Å; D74-Y133 VanDerWaalsContact OD2-CZ 3.26Å; D74-Y133 PolarHBondContact OD2-OH 3.42Å; A75-Y133 VanDerWaalsContact CA-CE1 3.43Å; A75-Y133 HydrophobicContact CB-CD1 3.69Å; A75-Y133 HydrophobicContact CB-CE1 3.7Å; A75-Y133 HydrophobicContact CB-CG 4.32Å; F78-Y133 HydrophobicContact CB-CE2 3.93Å; F78-Y133 VanDerWaalsContact CB-OH 3.29Å; F78-Y133 WeakPolarHBondContact CB-OH 3.01Å; F78-Y133 HydrophobicContact CD1-CD2 4.33Å; F78-Y133 AromaticContact CD1-CE2 3.69Å; F78-Y133 HydrophobicContact CD1-CE2 3.69Å; F78-Y133 HydrophobicContact CE1-CE2 4.41Å; F78-Y133 AromaticContact CG-CE2 3.8Å; F78-Y133 HydrophobicContact CG-CE2 3.8Å; R129-Y133 WeakPolarHBondContact O-CD2 3.5Å; A130-Y133 PolarHBondContact O-N 3.02Å; Q131-Y133 PolarHBondContact O-N 2.89Å; Y133-A135 PolarHBondContact O-N 3.45Å; Y133-L147 HydrophobicContact CD2-CD2 3.64Å; Y133-L147 HydrophobicContact CE2-CD2 4.3Å; Y133-L147 HydrophobicContact CG-CD1 4.34Å; Y133-L147 HydrophobicContact CG-CD2 4.06Å
134	D	95.6	Very high	93.4	Very high	47 Å²	47	44.7 Å²	44.7	25%	0.251	22%	0.224	S	C	.	.			trans	-78	93.7	165.1	-179.7	0.4	0	0	0	109.4	V69 K70 Q136 A137	V69-D134 PolarHBondContact O-N 3.31Å; K70-D134 HydrophobicContact CG-CB 4.1Å; D134-Q136 PolarHBondContact O-N 2.89Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.21Å; D134-Q136 PolarHBondContact OD1-N 3.17Å; D134-A137 HydrophobicContact CB-CB 4.16Å; D134-A137 WeakPolarHBondContact O-CB 3.23Å; D134-A137 PolarHBondContact O-N 3.29Å
135	A	91.6	Very high	93.7	Very high	20 Å²	20	43.1 Å²	43.1	17%	0.165	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-21.4	-179.3	0	0	0	0	0	113.6	Y133 R144 K148	Y133-A135 PolarHBondContact O-N 3.45Å; A135-R144 HydrophobicContact CB-CG 4.38Å; A135-R144 WeakPolarHBondContact O-CD 3.09Å; A135-R144 VanDerWaalsContact O-CG 3.3Å; A135-R144 WeakPolarHBondContact O-CG 3.3Å; A135-R144 PolarHBondContact O-NE 3.35Å; A135-K148 HydrophobicContact CB-CG 4.17Å
136	Q	91.6	Very high	93.9	Very high	126 Å²	126	43.5 Å²	43.5	59%	0.589	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-26.2	177.2	-62.3	-63.1	-8.1	0	0	112.6	D134 I138 R144	D134-Q136 PolarHBondContact O-N 2.89Å; D134-Q136 WeakPolarHBondContact OD1-CB 3.21Å; D134-Q136 PolarHBondContact OD1-N 3.17Å; Q136-I138 VanDerWaalsContact C-N 3.33Å; Q136-R144 PolarHBondContact O-NH2 3.23Å
137	A	94.7	Very high	94	Very high	45 Å²	45	43.6 Å²	43.6	37%	0.372	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-16.8	176.7	0	0	0	0	0	113.5	K70 D134 S139	K70-A137 HydrophobicContact CB-CB 3.98Å; K70-A137 HydrophobicContact CD-CB 4.48Å; K70-A137 HydrophobicContact CG-CB 4.09Å; D134-A137 HydrophobicContact CB-CB 4.16Å; D134-A137 WeakPolarHBondContact O-CB 3.23Å; D134-A137 PolarHBondContact O-N 3.29Å; A137-S139 PolarHBondContact O-N 3.5Å
138	I	95.7	Very high	94	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.239	C	C	.	.			trans	-83	112.5	-175.5	-55.6	-57	0	0	0	111.3	E72 A75 Q136 C143 R144 L147	E72-I138 HydrophobicContact CB-CD1 4.26Å; E72-I138 HydrophobicContact CG-CG2 4.21Å; A75-I138 HydrophobicContact CB-CD1 3.94Å; Q136-I138 VanDerWaalsContact C-N 3.33Å; I138-C143 HydrophobicContact CG2-CB 3.88Å; I138-R144 HydrophobicContact CB-CB 4.45Å; I138-R144 HydrophobicContact CG2-CB 4.35Å; I138-R144 PolarHBondContact O-NE 3.37Å; I138-R144 PolarHBondContact O-NH2 3.27Å; I138-L147 HydrophobicContact CD1-CD1 4.46Å; I138-L147 HydrophobicContact CG1-CD1 3.8Å
139	S	95.2	Very high	93.8	Very high	93 Å²	93	46.3 Å²	46.3	65%	0.65	24%	0.236	S	C	*	.			trans	-71.6	-37.7	-174.8	72.6	0	0	0	0	113.2	E72 A137 Q141	E72-S139 WeakPolarHBondContact OE2-CA 3.25Å; E72-S139 WeakPolarHBondContact OE2-CB 3.4Å; E72-S139 PolarHBondContact OE2-N 3.01Å; E72-S139 PolarHBondContact OE2-OG 3.48Å; A137-S139 PolarHBondContact O-N 3.5Å; S139-Q141 PolarHBondContact O-N 2.85Å
140	D	94.2	Very high	93.6	Very high	52 Å²	52	46 Å²	46	28%	0.278	24%	0.236	S	C	.	.			trans	-66.1	121.4	178.7	-176.3	-85.9	0	0	0	112.4	E72 R76 L142 C143 R144	E72-D140 WeakPolarHBondContact OE1-CB 3.39Å; E72-D140 PolarHBondContact OE2-N 2.99Å; R76-D140 IonicContact NH2-OD2 3.97Å; D140-L142 VanDerWaalsContact C-N 3.34Å; D140-L142 PolarHBondContact O-N 2.98Å; D140-L142 WeakPolarHBondContact OD1-CA 2.97Å; D140-L142 WeakPolarHBondContact OD1-CB 3.23Å; D140-L142 PolarHBondContact OD1-N 2.9Å; D140-C143 HydrophobicContact CB-CB 3.91Å; D140-C143 WeakPolarHBondContact OD1-CB 3.38Å; D140-C143 PolarHBondContact OD1-N 3.31Å; D140-R144 VanDerWaalsContact O-CB 3.28Å; D140-R144 WeakPolarHBondContact O-CB 3.43Å; D140-R144 PolarHBondContact O-N 3.37Å
141	Q	92.3	Very high	93.4	Very high	142 Å²	142	47.3 Å²	47.3	66%	0.664	25%	0.245	S	C	*	.	H	α-helix	trans	-66.1	-35.6	-174.3	-169.1	-179.6	15.1	0	0	112.5	S139 K145	S139-Q141 PolarHBondContact O-N 2.85Å; Q141-K145 WeakPolarHBondContact O-CB 3.4Å; Q141-K145 PolarHBondContact O-N 3.48Å
142	L	91.6	Very high	92.9	Very high	72 Å²	72	50.4 Å²	50.4	38%	0.377	26%	0.258	S	S	.	.	H	α-helix	trans	-71.9	-47.5	-178.7	-178.8	65	0	0	0	110.5	D140 K145 M146 P449 L452	D140-L142 VanDerWaalsContact C-N 3.34Å; D140-L142 PolarHBondContact O-N 2.98Å; D140-L142 WeakPolarHBondContact OD1-CA 2.97Å; D140-L142 WeakPolarHBondContact OD1-CB 3.23Å; D140-L142 PolarHBondContact OD1-N 2.9Å; L142-K145 PolarHBondContact O-N 3.28Å; L142-K145 VanDerWaalsContact O-N 3.17Å; L142-M146 HydrophobicContact CG-SD 4.33Å; L142-M146 WeakPolarHBondContact O-CG 3.39Å; L142-M146 PolarHBondContact O-N 2.97Å; L142-P449 HydrophobicContact CD2-CG 4.43Å; L142-L452 HydrophobicContact CD1-CD1 3.37Å
143	C	95.3	Very high	92.2	Very high	4 Å²	4	50.6 Å²	50.6	3%	0.027	26%	0.259	C	S	.	.	H	α-helix	trans	-56.9	-50.7	174.7	-174.9	0	0	0	0	110.4	L79 I138 D140 K145 M146 L147	L79-C143 HydrophobicContact CD1-CB 4.05Å; L79-C143 WeakPolarHBondContact CD1-SG 3.02Å; I138-C143 HydrophobicContact CG2-CB 3.88Å; D140-C143 HydrophobicContact CB-CB 3.91Å; D140-C143 WeakPolarHBondContact OD1-CB 3.38Å; D140-C143 PolarHBondContact OD1-N 3.31Å; C143-K145 VanDerWaalsContact C-N 3.29Å; C143-K145 PolarHBondContact O-N 3.05Å; C143-M146 PolarHBondContact O-N 3.16Å; C143-L147 WeakPolarHBondContact O-CB 2.93Å; C143-L147 WeakPolarHBondContact O-CG 2.99Å; C143-L147 PolarHBondContact O-N 3.05Å
144	R	94.5	Very high	91.4	Very high	65 Å²	65	51.3 Å²	51.3	25%	0.245	27%	0.271	C	S	.	.	H	α-helix	trans	-54.9	-44.2	175.3	-175.7	-177.7	-56.1	-143.2	8.1	112.1	A135 Q136 I138 D140 K148	A135-R144 HydrophobicContact CB-CG 4.38Å; A135-R144 WeakPolarHBondContact O-CD 3.09Å; A135-R144 VanDerWaalsContact O-CG 3.3Å; A135-R144 WeakPolarHBondContact O-CG 3.3Å; A135-R144 PolarHBondContact O-NE 3.35Å; Q136-R144 PolarHBondContact O-NH2 3.23Å; I138-R144 HydrophobicContact CB-CB 4.45Å; I138-R144 HydrophobicContact CG2-CB 4.35Å; I138-R144 PolarHBondContact O-NE 3.37Å; I138-R144 PolarHBondContact O-NH2 3.27Å; D140-R144 VanDerWaalsContact O-CB 3.28Å; D140-R144 WeakPolarHBondContact O-CB 3.43Å; D140-R144 PolarHBondContact O-N 3.37Å; R144-K148 WeakPolarHBondContact O-CB 3.12Å; R144-K148 WeakPolarHBondContact O-CG 3.37Å; R144-K148 PolarHBondContact O-N 3.34Å
145	K	91.5	Very high	90.6	Very high	65 Å²	65	52.4 Å²	52.4	28%	0.283	28%	0.276	S	S	.	.	H	α-helix	trans	-66.9	-44.2	179.4	-178.4	166.4	179.1	165.3	0	112.2	Q141 L142 C143 K148 K149 S621 S622	Q141-K145 WeakPolarHBondContact O-CB 3.4Å; Q141-K145 PolarHBondContact O-N 3.48Å; L142-K145 PolarHBondContact O-N 3.28Å; L142-K145 VanDerWaalsContact O-N 3.17Å; C143-K145 VanDerWaalsContact C-N 3.29Å; C143-K145 PolarHBondContact O-N 3.05Å; K145-K148 PolarHBondContact O-N 3.15Å; K145-K149 WeakPolarHBondContact O-CB 3.35Å; K145-K149 PolarHBondContact O-N 3.07Å; K145-S621 WeakPolarHBondContact CE-O 3.46Å; K145-S621 PolarHBondContact NZ-O 2.98Å; K145-S622 PolarHBondContact NZ-O 3.39Å
146	M	94.3	Very high	90	Very high	8 Å²	8	52.9 Å²	52.9	4%	0.039	28%	0.275	C	S	.	.	H	α-helix	trans	-62.1	-47	176.4	-72.5	179.3	70.9	0	0	111.1	L79 L142 C143 K148 K149 L150 P449 A451 L452	L79-M146 HydrophobicContact CD1-CB 3.97Å; L79-M146 HydrophobicContact CD1-CE 4.45Å; L79-M146 HydrophobicContact CD1-SD 4.16Å; L79-M146 HydrophobicContact CD2-CB 3.94Å; L79-M146 HydrophobicContact CD2-CE 4.13Å; L142-M146 HydrophobicContact CG-SD 4.33Å; L142-M146 WeakPolarHBondContact O-CG 3.39Å; L142-M146 PolarHBondContact O-N 2.97Å; C143-M146 PolarHBondContact O-N 3.16Å; M146-K148 PolarHBondContact O-N 2.64Å; M146-K149 PolarHBondContact O-N 2.92Å; M146-L150 WeakPolarHBondContact O-CB 3.38Å; M146-L150 VanDerWaalsContact O-CG 3.27Å; M146-L150 WeakPolarHBondContact O-CG 3.43Å; M146-L150 PolarHBondContact O-N 3.06Å; M146-P449 HydrophobicContact CE-CB 3.48Å; M146-P449 VanDerWaalsContact CE-CB 3.48Å; M146-P449 HydrophobicContact CE-CG 4.25Å; M146-P449 HydrophobicContact SD-CB 3.7Å; M146-P449 HydrophobicContact SD-CG 3.81Å; M146-A451 HydrophobicContact CE-CB 4.14Å; M146-L452 HydrophobicContact CG-CD1 4.13Å; M146-L452 HydrophobicContact CG-CG 4.29Å
147	L	95.6	Very high	89.6	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.016	25%	0.254	C	S	.	.	H	α-helix	trans	-57.9	-48.4	176.2	-71.8	172.2	0	0	0	112	A75 F78 L79 A130 Y133 I138 C143 K149 L150 S151	A75-L147 HydrophobicContact CB-CD1 4.13Å; F78-L147 HydrophobicContact CD1-CD2 3.87Å; F78-L147 HydrophobicContact CE1-CD2 3.85Å; L79-L147 HydrophobicContact CD2-CD2 4.26Å; A130-L147 HydrophobicContact CB-CD2 4.48Å; Y133-L147 HydrophobicContact CD2-CD2 3.64Å; Y133-L147 HydrophobicContact CE2-CD2 4.3Å; Y133-L147 HydrophobicContact CG-CD1 4.34Å; Y133-L147 HydrophobicContact CG-CD2 4.06Å; I138-L147 HydrophobicContact CD1-CD1 4.46Å; I138-L147 HydrophobicContact CG1-CD1 3.8Å; C143-L147 WeakPolarHBondContact O-CB 2.93Å; C143-L147 WeakPolarHBondContact O-CG 2.99Å; C143-L147 PolarHBondContact O-N 3.05Å; L147-K149 VanDerWaalsContact C-N 3.31Å; L147-K149 PolarHBondContact O-N 2.66Å; L147-L150 PolarHBondContact O-N 3.18Å; L147-S151 VanDerWaalsContact O-CB 3.24Å; L147-S151 WeakPolarHBondContact O-CB 3.4Å; L147-S151 PolarHBondContact O-N 3.39Å; L147-S151 PolarHBondContact O-OG 2.91Å
148	K	90.3	Very high	89	Confident	84 Å²	84	45.8 Å²	45.8	37%	0.365	24%	0.237	S	C	.	.	H	α-helix	trans	-56.8	-46	176.4	-79.1	-174.7	175.1	-165.5	0	111.7	A135 R144 K145 M146 S151	A135-K148 HydrophobicContact CB-CG 4.17Å; R144-K148 WeakPolarHBondContact O-CB 3.12Å; R144-K148 WeakPolarHBondContact O-CG 3.37Å; R144-K148 PolarHBondContact O-N 3.34Å; K145-K148 PolarHBondContact O-N 3.15Å; M146-K148 PolarHBondContact O-N 2.64Å; K148-S151 PolarHBondContact O-OG 2.92Å
149	K	87.7	Confident	88.7	Confident	70 Å²	70	48.5 Å²	48.5	30%	0.304	26%	0.256	S	S	.	.	H	α-helix	trans	-64.9	-49.7	-179.8	-173.9	171.5	-173.4	173.7	0	112.1	K145 M146 L147 S151 K152 A451 L452 E454 S621	K145-K149 WeakPolarHBondContact O-CB 3.35Å; K145-K149 PolarHBondContact O-N 3.07Å; M146-K149 PolarHBondContact O-N 2.92Å; L147-K149 VanDerWaalsContact C-N 3.31Å; L147-K149 PolarHBondContact O-N 2.66Å; K149-S151 VanDerWaalsContact C-N 3.28Å; K149-S151 PolarHBondContact O-N 2.9Å; K149-K152 PolarHBondContact O-N 3.49Å; K149-A451 VanDerWaalsContact CD-O 3.32Å; K149-A451 WeakPolarHBondContact CD-O 3.5Å; K149-A451 WeakPolarHBondContact CE-O 3.1Å; K149-A451 PolarHBondContact NZ-O 3.31Å; K149-L452 HydrophobicContact CD-CD2 4.21Å; K149-E454 WeakPolarHBondContact CE-OE1 3.41Å; K149-E454 VanDerWaalsContact NZ-CD 3.29Å; K149-E454 IonicContact NZ-OE1 3.73Å; K149-E454 PolarHBondContact NZ-OE1 2.82Å; K149-S621 PolarHBondContact NZ-OG 2.77Å
150	L	91.8	Very high	88	Confident	17 Å²	17	48.2 Å²	48.2	9%	0.089	26%	0.26	C	S	.	.	H	α-helix	trans	-67.1	-29.4	-178.2	-67.1	177.6	0	0	0	112.1	F78 L79 Y82 T126 A127 A130 M146 L147 K152 A451	F78-L150 HydrophobicContact CE1-CD1 4.39Å; L79-L150 HydrophobicContact CD2-CD1 3.76Å; Y82-L150 HydrophobicContact CD1-CD1 3.93Å; Y82-L150 HydrophobicContact CD2-CD1 4.11Å; Y82-L150 HydrophobicContact CD2-CD2 4.34Å; Y82-L150 HydrophobicContact CE1-CD1 4.07Å; Y82-L150 HydrophobicContact CE1-CD2 4.17Å; Y82-L150 HydrophobicContact CE2-CD1 4.22Å; Y82-L150 HydrophobicContact CE2-CD2 3.67Å; Y82-L150 HydrophobicContact CG-CD1 3.96Å; T126-L150 HydrophobicContact CG2-CB 4.09Å; T126-L150 HydrophobicContact CG2-CD1 4.21Å; T126-L150 HydrophobicContact CG2-CD2 3.91Å; T126-L150 HydrophobicContact CG2-CG 4.28Å; A127-L150 WeakPolarHBondContact CA-O 3.24Å; A127-L150 VanDerWaalsContact CB-O 3.24Å; A127-L150 WeakPolarHBondContact CB-O 3.21Å; A130-L150 HydrophobicContact CB-CB 3.8Å; M146-L150 WeakPolarHBondContact O-CB 3.38Å; M146-L150 VanDerWaalsContact O-CG 3.27Å; M146-L150 WeakPolarHBondContact O-CG 3.43Å; M146-L150 PolarHBondContact O-N 3.06Å; L147-L150 PolarHBondContact O-N 3.18Å; L150-K152 PolarHBondContact O-N 2.65Å; L150-A451 HydrophobicContact CD2-CB 3.99Å; L150-A451 HydrophobicContact CG-CB 4.36Å
151	S	91.3	Very high	87.8	Confident	30 Å²	30	53.4 Å²	53.4	21%	0.21	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-9.1	-179.4	73.7	0	0	0	0	115.6	Q131 L147 K148 K149	Q131-S151 PolarHBondContact NE2-O 3.14Å; L147-S151 VanDerWaalsContact O-CB 3.24Å; L147-S151 WeakPolarHBondContact O-CB 3.4Å; L147-S151 PolarHBondContact O-N 3.39Å; L147-S151 PolarHBondContact O-OG 2.91Å; K148-S151 PolarHBondContact O-OG 2.92Å; K149-S151 VanDerWaalsContact C-N 3.28Å; K149-S151 PolarHBondContact O-N 2.9Å
152	K	82.1	Confident	87.8	Confident	92 Å²	92	47.7 Å²	47.7	40%	0.4	26%	0.258	S	S	.	.			trans	-88.8	117.4	-178.7	-59.6	-61.8	-170.1	175.1	0	110.4	K149 L150 N245	K149-K152 PolarHBondContact O-N 3.49Å; L150-K152 PolarHBondContact O-N 2.65Å; K152-N245 PolarHBondContact NZ-O 2.98Å
153	E	81.1	Confident	87.3	Confident	13 Å²	13	46.3 Å²	46.3	6%	0.061	25%	0.249	C	C	.	.			trans	-81.2	-16.9	177.4	-76.2	169.8	-103.8	0	0	112.8	A127 R128 Q131 I155 H156 A157 N245	A127-E153 HydrophobicContact CB-CB 4.44Å; A127-E153 HydrophobicContact CB-CG 3.47Å; A127-E153 VanDerWaalsContact CB-CG 3.47Å; R128-E153 VanDerWaalsContact CZ-CD 3.45Å; R128-E153 IonicContact CZ-OE1 3.96Å; R128-E153 IonicContact CZ-OE2 3.82Å; R128-E153 VanDerWaalsContact CZ-OE2 3.26Å; R128-E153 VanDerWaalsContact NE-CD 3.3Å; R128-E153 IonicContact NE-OE1 2.78Å; R128-E153 PolarHBondContact NE-OE1 3.01Å; R128-E153 IonicContact NE-OE2 3.81Å; R128-E153 PolarHBondContact NE-OE2 2.72Å; R128-E153 VanDerWaalsContact NE-OE2 3.09Å; R128-E153 IonicContact NH1-OE1 3.31Å; R128-E153 PolarHBondContact NH1-OE1 3.01Å; R128-E153 VanDerWaalsContact NH2-CD 3.28Å; R128-E153 IonicContact NH2-OE1 3.49Å; R128-E153 PolarHBondContact NH2-OE1 3.39Å; R128-E153 IonicContact NH2-OE2 3.74Å; R128-E153 PolarHBondContact NH2-OE2 3.47Å; Q131-E153 PolarHBondContact NE2-OE1 3.01Å; E153-I155 PolarHBondContact O-N 3.33Å; E153-H156 WeakPolarHBondContact O-CB 3.3Å; E153-H156 PolarHBondContact O-N 2.8Å; E153-A157 HydrophobicContact CB-CB 3.76Å; E153-N245 PolarHBondContact N-OD1 2.77Å
154	G	81.4	Confident	86.9	Confident	30 Å²	30	53.8 Å²	53.8	31%	0.309	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	58.8	-135.8	-177.6	0	0	0	0	0	111.3	H156 A157 N245	G154-H156 PolarHBondContact O-N 2.89Å; G154-A157 WeakPolarHBondContact O-CB 3.17Å; G154-A157 PolarHBondContact O-N 3.06Å; G154-N245 PolarHBondContact N-OD1 2.82Å; G154-N245 PolarHBondContact O-ND2 2.97Å
155	I	79.7	Confident	86.8	Confident	69 Å²	69	54.4 Å²	54.4	35%	0.354	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-64	-19.2	177.3	62.4	177.4	0	0	0	113.2	E153 A157 L158 F163 M166 V241	E153-I155 PolarHBondContact O-N 3.33Å; I155-A157 PolarHBondContact O-N 2.83Å; I155-L158 WeakPolarHBondContact O-CB 3.39Å; I155-L158 WeakPolarHBondContact O-CG 3.16Å; I155-L158 PolarHBondContact O-N 2.85Å; I155-F163 HydrophobicContact CB-CE2 4.39Å; I155-F163 HydrophobicContact CD1-CE2 3.91Å; I155-F163 HydrophobicContact CG1-CE2 4.01Å; I155-M166 HydrophobicContact CB-CE 4.01Å; I155-M166 HydrophobicContact CD1-CE 4.09Å; I155-M166 HydrophobicContact CG2-CE 4.19Å; I155-M166 HydrophobicContact CG2-SD 4.32Å; I155-V241 HydrophobicContact CG2-CG1 4.26Å; I155-V241 HydrophobicContact CG2-CG2 4.35Å
156	H	77.6	Confident	86.7	Confident	30 Å²	30	51.6 Å²	51.6	14%	0.139	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-80.6	-4	-179	-51.2	-59	0	0	0	113.4	V120 R124 E153 G154 L158 F163	V120-H156 WeakPolarHBondContact CG1-ND1 3.27Å; V120-H156 VanDerWaalsContact CG2-CE1 3.4Å; V120-H156 WeakPolarHBondContact CG2-CE1 3.37Å; R124-H156 HydrophobicContact CG-CB 3.66Å; R124-H156 PolarHBondContact NE-O 3.08Å; E153-H156 WeakPolarHBondContact O-CB 3.3Å; E153-H156 PolarHBondContact O-N 2.8Å; G154-H156 PolarHBondContact O-N 2.89Å; H156-L158 PolarHBondContact O-N 3.37Å; H156-F163 AromaticContact ND1-CE2 3.88Å
157	A	83.4	Confident	86.3	Confident	18 Å²	18	56 Å²	56	15%	0.149	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-69.3	-22.2	168.4	0	0	0	0	0	112	E153 G154 I155 L244	E153-A157 HydrophobicContact CB-CB 3.76Å; G154-A157 WeakPolarHBondContact O-CB 3.17Å; G154-A157 PolarHBondContact O-N 3.06Å; I155-A157 PolarHBondContact O-N 2.83Å; A157-L244 HydrophobicContact CB-CB 3.77Å; A157-L244 HydrophobicContact CB-CD1 4.13Å
158	L	82.7	Confident	86	Confident	5 Å²	5	57 Å²	57	3%	0.026	31%	0.307	C	S	.	.	S	Bend	trans	-60.5	149.1	178.7	-70.6	174.8	0	0	0	111.4	I155 H156 F163 M166 V237 E240 V241 L244	I155-L158 WeakPolarHBondContact O-CB 3.39Å; I155-L158 WeakPolarHBondContact O-CG 3.16Å; I155-L158 PolarHBondContact O-N 2.85Å; H156-L158 PolarHBondContact O-N 3.37Å; L158-F163 HydrophobicContact CB-CB 4.05Å; L158-F163 HydrophobicContact CD1-CD2 4.36Å; L158-M166 HydrophobicContact CD1-CB 4.47Å; L158-M166 HydrophobicContact CD1-CE 4.32Å; L158-M166 HydrophobicContact CD1-SD 3.92Å; L158-V237 HydrophobicContact CD1-CG1 3.91Å; L158-V237 HydrophobicContact CD2-CG1 4.38Å; L158-E240 HydrophobicContact CD2-CB 4.27Å; L158-E240 HydrophobicContact CD2-CG 3.91Å; L158-V241 HydrophobicContact CD1-CG2 3.64Å; L158-V241 HydrophobicContact CD2-CG2 3.81Å; L158-V241 HydrophobicContact CG-CG2 3.71Å; L158-L244 HydrophobicContact CD2-CD1 3.96Å
159	S	88.5	Confident	86.1	Confident	56 Å²	56	53 Å²	53	39%	0.392	29%	0.29	S	S	.	.			trans	-58.5	156.3	166.1	77.9	0	0	0	0	110.2	E161 S162 F163	S159-E161 PolarHBondContact O-N 2.87Å; S159-S162 PolarHBondContact O-N 2.78Å; S159-S162 WeakPolarHBondContact OG-CB 3.45Å; S159-S162 PolarHBondContact OG-N 3.2Å; S159-S162 PolarHBondContact OG-OG 3.43Å; S159-F163 VanDerWaalsContact O-CB 3.3Å; S159-F163 WeakPolarHBondContact O-CB 3.39Å; S159-F163 PolarHBondContact O-N 3.11Å
160	A	82	Confident	86.1	Confident	88 Å²	88	52.8 Å²	52.8	73%	0.727	29%	0.29	S	S	*	.	H	α-helix	trans	-56.4	-35.7	176.9	0	0	0	0	0	111.8	K164	A160-K164 VanDerWaalsContact O-CB 3.3Å; A160-K164 WeakPolarHBondContact O-CB 3.13Å; A160-K164 PolarHBondContact O-N 2.76Å
161	E	89.8	Confident	85.7	Confident	161 Å²	161	53.4 Å²	53.4	75%	0.752	30%	0.297	S	S	*	.	H	α-helix	trans	-68	-52.3	175.6	-174.3	178.3	-179.3	0	0	112	S159 F163 K164 N165	S159-E161 PolarHBondContact O-N 2.87Å; E161-F163 VanDerWaalsContact C-N 3.29Å; E161-F163 PolarHBondContact O-N 2.7Å; E161-K164 PolarHBondContact O-N 3.2Å; E161-N165 WeakPolarHBondContact O-CB 3.39Å; E161-N165 PolarHBondContact O-N 3.14Å
162	S	91	Very high	85.8	Confident	22 Å²	22	57 Å²	57	15%	0.154	31%	0.306	C	S	.	.	H	α-helix	trans	-61	-38.9	178.6	-56.8	0	0	0	0	111.5	S159 N165 M166 E240	S159-S162 PolarHBondContact O-N 2.78Å; S159-S162 WeakPolarHBondContact OG-CB 3.45Å; S159-S162 PolarHBondContact OG-N 3.2Å; S159-S162 PolarHBondContact OG-OG 3.43Å; S162-N165 PolarHBondContact O-N 2.93Å; S162-M166 WeakPolarHBondContact O-CB 3.29Å; S162-M166 PolarHBondContact O-N 3.21Å; S162-E240 PolarHBondContact OG-OE1 3.08Å
163	F	82.5	Confident	86.1	Confident	43 Å²	43	52.9 Å²	52.9	19%	0.189	29%	0.288	C	S	.	.	H	α-helix	trans	-66	-42.9	176.2	-172.2	-106.2	0	0	0	112	I155 H156 L158 S159 E161 N165 M166 K167	I155-F163 HydrophobicContact CB-CE2 4.39Å; I155-F163 HydrophobicContact CD1-CE2 3.91Å; I155-F163 HydrophobicContact CG1-CE2 4.01Å; H156-F163 AromaticContact ND1-CE2 3.88Å; L158-F163 HydrophobicContact CB-CB 4.05Å; L158-F163 HydrophobicContact CD1-CD2 4.36Å; S159-F163 VanDerWaalsContact O-CB 3.3Å; S159-F163 WeakPolarHBondContact O-CB 3.39Å; S159-F163 PolarHBondContact O-N 3.11Å; E161-F163 VanDerWaalsContact C-N 3.29Å; E161-F163 PolarHBondContact O-N 2.7Å; F163-N165 VanDerWaalsContact C-N 3.35Å; F163-M166 HydrophobicContact CD2-CE 3.91Å; F163-M166 HydrophobicContact CE2-CE 3.89Å; F163-M166 WeakPolarHBondContact O-CB 3.45Å; F163-M166 PolarHBondContact O-N 2.87Å; F163-K167 HydrophobicContact CE1-CD 4.01Å; F163-K167 HydrophobicContact CZ-CD 4.38Å; F163-K167 PolarHBondContact O-N 2.75Å; F163-K167 VanDerWaalsContact O-N 3.1Å
164	K	86	Confident	86	Confident	161 Å²	161	53.9 Å²	53.9	70%	0.7	30%	0.302	S	S	*	.	H	α-helix	trans	-62.6	-42.5	173.4	-176.1	-178.5	179.2	-177.5	0	111.2	A160 E161 K167 G168	A160-K164 VanDerWaalsContact O-CB 3.3Å; A160-K164 WeakPolarHBondContact O-CB 3.13Å; A160-K164 PolarHBondContact O-N 2.76Å; E161-K164 PolarHBondContact O-N 3.2Å; K164-K167 PolarHBondContact O-N 3.17Å; K164-G168 PolarHBondContact O-N 3.43Å
165	N	92.5	Very high	86.2	Confident	78 Å²	78	55.7 Å²	55.7	42%	0.417	30%	0.303	S	S	.	.	H	α-helix	trans	-61.1	-45.6	176	-176.2	38	0	0	0	111.4	E161 S162 F163 K167 G168 I169	E161-N165 WeakPolarHBondContact O-CB 3.39Å; E161-N165 PolarHBondContact O-N 3.14Å; S162-N165 PolarHBondContact O-N 2.93Å; F163-N165 VanDerWaalsContact C-N 3.35Å; N165-K167 VanDerWaalsContact C-N 3.34Å; N165-K167 PolarHBondContact O-N 3.03Å; N165-G168 CarbonylContact O-C 3.51Å; N165-G168 WeakPolarHBondContact O-CA 3.15Å; N165-G168 PolarHBondContact O-N 3.39Å; N165-G168 VanDerWaalsContact O-N 3.09Å; N165-I169 WeakPolarHBondContact O-CG1 3.41Å; N165-I169 PolarHBondContact O-N 3.41Å
166	M	89.9	Confident	86.6	Confident	5 Å²	5	53.5 Å²	53.5	3%	0.025	29%	0.291	C	S	.	.	H	α-helix	trans	-54.8	-49	175.6	-166.1	-179.4	64.1	0	0	111.8	I155 L158 S162 F163 G168 I169 Q170 L234 V237	I155-M166 HydrophobicContact CB-CE 4.01Å; I155-M166 HydrophobicContact CD1-CE 4.09Å; I155-M166 HydrophobicContact CG2-CE 4.19Å; I155-M166 HydrophobicContact CG2-SD 4.32Å; L158-M166 HydrophobicContact CD1-CB 4.47Å; L158-M166 HydrophobicContact CD1-CE 4.32Å; L158-M166 HydrophobicContact CD1-SD 3.92Å; S162-M166 WeakPolarHBondContact O-CB 3.29Å; S162-M166 PolarHBondContact O-N 3.21Å; F163-M166 HydrophobicContact CD2-CE 3.91Å; F163-M166 HydrophobicContact CE2-CE 3.89Å; F163-M166 WeakPolarHBondContact O-CB 3.45Å; F163-M166 PolarHBondContact O-N 2.87Å; M166-G168 VanDerWaalsContact C-N 3.31Å; M166-G168 PolarHBondContact O-N 3.35Å; M166-I169 PolarHBondContact O-N 3.1Å; M166-Q170 WeakPolarHBondContact O-CG 3Å; M166-Q170 PolarHBondContact O-N 2.87Å; M166-L234 HydrophobicContact CG-CD1 4.24Å; M166-V237 HydrophobicContact CB-CG1 3.88Å; M166-V237 HydrophobicContact CG-CG1 3.88Å; M166-V237 HydrophobicContact SD-CG1 4.11Å
167	K	85	Confident	86.8	Confident	102 Å²	102	53.1 Å²	53.1	44%	0.443	29%	0.289	S	S	.	.	H	α-helix	trans	-60.9	-40.8	176.7	-72.2	-165	-80.7	-175.8	0	111.7	F163 K164 N165 Q170 A171	F163-K167 HydrophobicContact CE1-CD 4.01Å; F163-K167 HydrophobicContact CZ-CD 4.38Å; F163-K167 PolarHBondContact O-N 2.75Å; F163-K167 VanDerWaalsContact O-N 3.1Å; K164-K167 PolarHBondContact O-N 3.17Å; N165-K167 VanDerWaalsContact C-N 3.34Å; N165-K167 PolarHBondContact O-N 3.03Å; K167-Q170 PolarHBondContact O-N 3.09Å; K167-A171 WeakPolarHBondContact O-CB 3.49Å; K167-A171 PolarHBondContact O-N 2.96Å
168	G	89.5	Confident	86.5	Confident	23 Å²	23	55.7 Å²	55.7	24%	0.237	31%	0.31	C	S	.	.	H	α-helix	trans	-63.5	-41.2	175.5	0	0	0	0	0	113.6	K164 N165 M166 A171 R172	K164-G168 PolarHBondContact O-N 3.43Å; N165-G168 CarbonylContact O-C 3.51Å; N165-G168 WeakPolarHBondContact O-CA 3.15Å; N165-G168 PolarHBondContact O-N 3.39Å; N165-G168 VanDerWaalsContact O-N 3.09Å; M166-G168 VanDerWaalsContact C-N 3.31Å; M166-G168 PolarHBondContact O-N 3.35Å; G168-A171 WeakPolarHBondContact O-CB 3.18Å; G168-A171 PolarHBondContact O-N 2.85Å; G168-R172 WeakPolarHBondContact O-CG 3.32Å; G168-R172 PolarHBondContact O-N 3.07Å; G168-R172 PolarHBondContact O-NH1 2.9Å
169	I	93.1	Very high	86.6	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-62.4	-49.4	174.5	-66.2	159.9	0	0	0	109.9	N165 M166 A171 R172 M173 E230 A233 L234 V237	N165-I169 WeakPolarHBondContact O-CG1 3.41Å; N165-I169 PolarHBondContact O-N 3.41Å; M166-I169 PolarHBondContact O-N 3.1Å; I169-A171 PolarHBondContact O-N 3.32Å; I169-R172 PolarHBondContact O-N 3.45Å; I169-R172 VanDerWaalsContact O-N 3.16Å; I169-M173 HydrophobicContact CG2-CG 4.28Å; I169-M173 HydrophobicContact CG2-SD 3.79Å; I169-M173 VanDerWaalsContact O-CG 3.3Å; I169-M173 WeakPolarHBondContact O-CG 3.42Å; I169-M173 PolarHBondContact O-N 3.26Å; I169-E230 HydrophobicContact CG2-CB 4.37Å; I169-E230 VanDerWaalsContact CG2-O 3.31Å; I169-E230 WeakPolarHBondContact CG2-O 3.04Å; I169-A233 HydrophobicContact CD1-CB 3.78Å; I169-A233 HydrophobicContact CG1-CB 4.22Å; I169-L234 HydrophobicContact CG2-CB 3.82Å; I169-L234 HydrophobicContact CG2-CD1 4.49Å; I169-V237 HydrophobicContact CD1-CG2 4.04Å
170	Q	87.3	Confident	86.5	Confident	65 Å²	65	58.3 Å²	58.3	30%	0.304	32%	0.321	S	S	.	.	H	α-helix	trans	-58.5	-36.6	177.2	-71.1	176.5	-38.5	0	0	112.1	M166 K167 G174 L234	M166-Q170 WeakPolarHBondContact O-CG 3Å; M166-Q170 PolarHBondContact O-N 2.87Å; K167-Q170 PolarHBondContact O-N 3.09Å; Q170-G174 PolarHBondContact O-N 3.38Å; Q170-L234 HydrophobicContact CG-CD1 4.27Å
171	A	82.8	Confident	86.9	Confident	30 Å²	30	55.2 Å²	55.2	25%	0.248	30%	0.296	C	S	.	.	H	α-helix	trans	-61.7	-50.6	173.4	0	0	0	0	0	113.2	V27 K167 G168 I169 M173 G174 Q175	V27-A171 HydrophobicContact CG1-CB 3.43Å; V27-A171 VanDerWaalsContact CG1-CB 3.43Å; K167-A171 WeakPolarHBondContact O-CB 3.49Å; K167-A171 PolarHBondContact O-N 2.96Å; G168-A171 WeakPolarHBondContact O-CB 3.18Å; G168-A171 PolarHBondContact O-N 2.85Å; I169-A171 PolarHBondContact O-N 3.32Å; A171-M173 VanDerWaalsContact C-N 3.34Å; A171-M173 PolarHBondContact O-N 3.37Å; A171-G174 PolarHBondContact O-N 3.21Å; A171-Q175 WeakPolarHBondContact O-CB 3.43Å; A171-Q175 PolarHBondContact O-N 3.34Å
172	R	93.9	Very high	87	Confident	104 Å²	104	47.7 Å²	47.7	39%	0.392	26%	0.261	S	S	.	.	H	α-helix	trans	-63.1	-41.5	178.4	-68.2	-172	-58.4	-85.1	-2.2	111.7	G168 I169 G174 Q175 I176 E230	G168-R172 WeakPolarHBondContact O-CG 3.32Å; G168-R172 PolarHBondContact O-N 3.07Å; G168-R172 PolarHBondContact O-NH1 2.9Å; I169-R172 PolarHBondContact O-N 3.45Å; I169-R172 VanDerWaalsContact O-N 3.16Å; R172-G174 PolarHBondContact O-N 2.93Å; R172-Q175 PolarHBondContact O-N 3.06Å; R172-I176 VanDerWaalsContact O-CG1 3.27Å; R172-I176 WeakPolarHBondContact O-CG1 3.27Å; R172-I176 PolarHBondContact O-N 2.9Å; R172-E230 HydrophobicContact CB-CG 4.3Å; R172-E230 WeakPolarHBondContact CD-OE1 3.34Å; R172-E230 IonicContact CZ-OE1 3.02Å; R172-E230 IonicContact CZ-OE2 3.62Å; R172-E230 VanDerWaalsContact CZ-OE2 3.31Å; R172-E230 IonicContact NE-OE1 3.82Å; R172-E230 PolarHBondContact NE-OE1 3.27Å; R172-E230 IonicContact NE-OE2 3.06Å; R172-E230 PolarHBondContact NE-OE2 3.33Å; R172-E230 IonicContact NH2-OE1 3.78Å; R172-E230 IonicContact NH2-OE2 3.23Å; R172-E230 PolarHBondContact NH2-OE2 2.93Å
173	M	89.6	Confident	86.9	Confident	6 Å²	6	47.2 Å²	47.2	3%	0.03	26%	0.258	C	S	.	.	H	α-helix	trans	-61.9	-43	175.1	-65.9	176.9	74.6	0	0	112.2	I169 A171 I176 F177 M227 E230 Y231 L234 V566	I169-M173 HydrophobicContact CG2-CG 4.28Å; I169-M173 HydrophobicContact CG2-SD 3.79Å; I169-M173 VanDerWaalsContact O-CG 3.3Å; I169-M173 WeakPolarHBondContact O-CG 3.42Å; I169-M173 PolarHBondContact O-N 3.26Å; A171-M173 VanDerWaalsContact C-N 3.34Å; A171-M173 PolarHBondContact O-N 3.37Å; M173-I176 PolarHBondContact O-N 3.41Å; M173-F177 PolarHBondContact O-N 2.84Å; M173-M227 HydrophobicContact CB-CE 4.24Å; M173-M227 HydrophobicContact CB-SD 3.86Å; M173-M227 HydrophobicContact CE-SD 3.51Å; M173-M227 VanDerWaalsContact CE-SD 3.51Å; M173-M227 HydrophobicContact CG-SD 3.68Å; M173-M227 WeakPolarHBondContact O-CE 3.38Å; M173-M227 HydrophobicContact SD-SD 4.44Å; M173-E230 HydrophobicContact CG-CB 3.55Å; M173-E230 HydrophobicContact CG-CG 4.46Å; M173-E230 HydrophobicContact SD-CB 4.29Å; M173-Y231 HydrophobicContact CE-CD2 3.68Å; M173-Y231 HydrophobicContact CE-CG 4.41Å; M173-L234 HydrophobicContact CE-CD2 4.02Å; M173-L234 HydrophobicContact SD-CB 4.06Å; M173-L234 HydrophobicContact SD-CD2 3.7Å; M173-L234 HydrophobicContact SD-CG 4.46Å; M173-V566 HydrophobicContact CE-CB 3.86Å; M173-V566 HydrophobicContact CE-CG1 4.4Å; M173-V566 WeakPolarHBondContact CE-O 3.46Å
174	G	78.7	Confident	87	Confident	34 Å²	34	47.6 Å²	47.6	35%	0.351	26%	0.26	S	S	.	.	H	α-helix	trans	-62.2	-42.8	174.4	0	0	0	0	0	112.4	Q170 A171 R172 F177 A178	Q170-G174 PolarHBondContact O-N 3.38Å; A171-G174 PolarHBondContact O-N 3.21Å; R172-G174 PolarHBondContact O-N 2.93Å; G174-F177 PolarHBondContact O-N 3.45Å; G174-A178 PolarHBondContact O-N 3.01Å
175	Q	84.2	Confident	86.5	Confident	69 Å²	69	44 Å²	44	32%	0.322	25%	0.253	S	S	.	.	H	α-helix	trans	-63.9	-42.1	178.4	-166.7	65.5	41.3	0	0	112	A171 R172 F177 A178 D179	A171-Q175 WeakPolarHBondContact O-CB 3.43Å; A171-Q175 PolarHBondContact O-N 3.34Å; R172-Q175 PolarHBondContact O-N 3.06Å; Q175-F177 PolarHBondContact O-N 3.46Å; Q175-A178 PolarHBondContact O-N 3.39Å; Q175-A178 VanDerWaalsContact O-N 3.09Å; Q175-D179 VanDerWaalsContact CG-OD2 3.29Å; Q175-D179 WeakPolarHBondContact CG-OD2 3.48Å; Q175-D179 PolarHBondContact NE2-OD1 3.43Å; Q175-D179 PolarHBondContact NE2-OD2 2.87Å; Q175-D179 WeakPolarHBondContact O-CB 3.4Å; Q175-D179 PolarHBondContact O-N 3.44Å
176	I	88.2	Confident	85.8	Confident	23 Å²	23	45.9 Å²	45.9	12%	0.118	27%	0.268	C	S	.	.	H	α-helix	trans	-57.2	-38.1	175.7	-69.3	161.1	0	0	0	111.4	R172 M173 G180 V223 Q226 M227 E230	R172-I176 VanDerWaalsContact O-CG1 3.27Å; R172-I176 WeakPolarHBondContact O-CG1 3.27Å; R172-I176 PolarHBondContact O-N 2.9Å; M173-I176 PolarHBondContact O-N 3.41Å; I176-G180 WeakPolarHBondContact O-CA 3.47Å; I176-G180 PolarHBondContact O-N 3.2Å; I176-G180 VanDerWaalsContact O-N 3.1Å; I176-V223 HydrophobicContact CG2-CB 3.87Å; I176-V223 HydrophobicContact CG2-CG1 4.19Å; I176-Q226 HydrophobicContact CD1-CB 4.11Å; I176-Q226 HydrophobicContact CG1-CB 4.3Å; I176-Q226 HydrophobicContact CG2-CB 4.29Å; I176-M227 HydrophobicContact CB-CE 3.76Å; I176-M227 HydrophobicContact CD1-CE 4.13Å; I176-M227 HydrophobicContact CG2-CE 3.63Å; I176-E230 HydrophobicContact CD1-CG 4.16Å
177	F	81.7	Confident	85.1	Confident	21 Å²	21	48.8 Å²	48.8	9%	0.092	28%	0.278	C	S	.	.	H	α-helix	trans	-72.5	-41	174.8	-97.9	-103.9	0	0	0	112.8	M173 G174 Q175 G180 L195 W219 M227 G560 F563 V566	M173-F177 PolarHBondContact O-N 2.84Å; G174-F177 PolarHBondContact O-N 3.45Å; Q175-F177 PolarHBondContact O-N 3.46Å; F177-G180 PolarHBondContact O-N 2.94Å; F177-L195 HydrophobicContact CD1-CD2 4.19Å; F177-L195 HydrophobicContact CE1-CD2 4.2Å; F177-W219 HydrophobicContact CD1-CH2 4.17Å; F177-W219 AromaticContact CD1-CZ2 3.84Å; F177-W219 HydrophobicContact CD1-CZ2 3.84Å; F177-W219 HydrophobicContact CE1-CH2 4.46Å; F177-W219 AromaticContact CE1-CZ2 3.69Å; F177-W219 HydrophobicContact CE1-CZ2 3.69Å; F177-W219 HydrophobicContact CZ-CZ2 4.26Å; F177-M227 HydrophobicContact CD2-CE 3.58Å; F177-M227 HydrophobicContact CE2-CE 3.67Å; F177-G560 WeakPolarHBondContact CE2-O 3.44Å; F177-G560 WeakPolarHBondContact CZ-O 3.42Å; F177-F563 HydrophobicContact CD1-CD2 4.01Å; F177-F563 HydrophobicContact CE1-CB 4.06Å; F177-F563 HydrophobicContact CE1-CD2 4.2Å; F177-V566 HydrophobicContact CD2-CG2 3.84Å; F177-V566 HydrophobicContact CE2-CB 4.01Å; F177-V566 HydrophobicContact CE2-CG1 3.65Å; F177-V566 HydrophobicContact CE2-CG2 3.39Å; F177-V566 HydrophobicContact CZ-CG1 4.18Å; F177-V566 HydrophobicContact CZ-CG2 3.75Å
178	A	77	Confident	84.6	Confident	72 Å²	72	48.9 Å²	48.9	60%	0.595	29%	0.29	S	S	*	.	H	α-helix	trans	-66.4	-41.4	-179	0	0	0	0	0	112.1	G174 Q175 G180	G174-A178 PolarHBondContact O-N 3.01Å; Q175-A178 PolarHBondContact O-N 3.39Å; Q175-A178 VanDerWaalsContact O-N 3.09Å; A178-G180 VanDerWaalsContact C-N 3.32Å
179	D	85	Confident	84.1	Confident	110 Å²	110	52.6 Å²	52.6	59%	0.588	31%	0.309	S	S	*	.	S	Bend	trans	-83.9	-11.7	178.7	-65.5	-17.1	0	0	0	112.8	Q175 A181	Q175-D179 VanDerWaalsContact CG-OD2 3.29Å; Q175-D179 WeakPolarHBondContact CG-OD2 3.48Å; Q175-D179 PolarHBondContact NE2-OD1 3.43Å; Q175-D179 PolarHBondContact NE2-OD2 2.87Å; Q175-D179 WeakPolarHBondContact O-CB 3.4Å; Q175-D179 PolarHBondContact O-N 3.44Å; D179-A181 PolarHBondContact O-N 3.38Å
180	G	87.6	Confident	83.7	Confident	6 Å²	6	57.8 Å²	57.8	6%	0.062	34%	0.343	C	S	.	.			trans	-59.4	111.8	179	0	0	0	0	0	110.7	I176 F177 A178	I176-G180 WeakPolarHBondContact O-CA 3.47Å; I176-G180 PolarHBondContact O-N 3.2Å; I176-G180 VanDerWaalsContact O-N 3.1Å; F177-G180 PolarHBondContact O-N 2.94Å; A178-G180 VanDerWaalsContact C-N 3.32Å
181	A	89.7	Confident	83.8	Confident	24 Å²	24	57.1 Å²	57.1	20%	0.198	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	144.5	176.2	0	0	0	0	0	111.1	D179 C191 M193	D179-A181 PolarHBondContact O-N 3.38Å; A181-C191 HydrophobicContact CB-CB 4Å; A181-C191 VanDerWaalsContact CB-O 3.3Å; A181-C191 WeakPolarHBondContact CB-O 3.49Å; A181-M193 WeakPolarHBondContact CA-O 3.37Å
182	V	91.5	Very high	84	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.012	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	139.2	175.4	169	0	0	0	0	109.1	M193 L199 Y214 A218 W219	V182-M193 HydrophobicContact CB-CE 4.26Å; V182-M193 HydrophobicContact CG1-CE 3.79Å; V182-M193 PolarHBondContact N-O 3.02Å; V182-M193 VanDerWaalsContact O-CB 3.26Å; V182-M193 WeakPolarHBondContact O-CB 3.38Å; V182-M193 PolarHBondContact O-N 2.94Å; V182-L199 HydrophobicContact CB-CD1 3.91Å; V182-L199 HydrophobicContact CB-CD2 3.85Å; V182-L199 HydrophobicContact CB-CG 4.49Å; V182-L199 HydrophobicContact CG1-CD2 4.27Å; V182-L199 HydrophobicContact CG2-CD1 3.5Å; V182-L199 VanDerWaalsContact CG2-CD1 3.5Å; V182-L199 HydrophobicContact CG2-CD2 4.33Å; V182-Y214 HydrophobicContact CG1-CE1 3.76Å; V182-A218 HydrophobicContact CB-CB 4.29Å; V182-A218 HydrophobicContact CG1-CB 3.47Å; V182-A218 VanDerWaalsContact CG1-CB 3.47Å; V182-A218 HydrophobicContact CG2-CB 3.84Å; V182-W219 HydrophobicContact CG2-CB 4.17Å
183	C	89.5	Confident	83.8	Confident	13 Å²	13	54.8 Å²	54.8	9%	0.088	34%	0.339	C	S	.	.			trans	-74.9	150.3	175.3	-78.4	0	0	0	0	109.5	C191 M193 Y214	C183-C191 VanDerWaalsContact CA-SG 3.6Å; C183-C191 HydrophobicContact CB-CB 4.03Å; C183-C191 WeakPolarHBondContact CB-SG 3.36Å; C183-C191 PolarHBondContact N-SG 3.37Å; C183-C191 WeakPolarHBondContact SG-CA 3.36Å; C183-C191 WeakPolarHBondContact SG-CB 3.47Å; C183-C191 CovalentContact SG-SG 2.05Å; C183-C191 PolarHBondContact SG-SG 2.96Å; C183-M193 WeakPolarHBondContact O-CE 3.33Å; C183-Y214 WeakPolarHBondContact O-CE1 3.33Å; C183-Y214 PolarHBondContact O-OH 3.29Å
184	E	84.8	Confident	83.5	Confident	50 Å²	50	56.5 Å²	56.5	23%	0.234	35%	0.35	C	S	.	.			trans	-66.3	144.2	165.2	-70.1	176.3	-166	0	0	108.4	T186 R187 M193	E184-T186 PolarHBondContact O-N 3.48Å; E184-R187 HydrophobicContact CB-CB 4.03Å; E184-R187 HydrophobicContact CB-CG 3.99Å; E184-R187 PolarHBondContact O-N 2.83Å; E184-R187 IonicContact OE1-NE 3.76Å; E184-R187 WeakPolarHBondContact OE2-CD 3.49Å; E184-R187 IonicContact OE2-CZ 3.16Å; E184-R187 IonicContact OE2-NE 2.77Å; E184-R187 PolarHBondContact OE2-NE 2.59Å; E184-M193 HydrophobicContact CG-CE 4.04Å; E184-M193 HydrophobicContact CG-CG 4.27Å; E184-M193 HydrophobicContact CG-SD 3.69Å
185	P	75.3	Confident	83.6	Confident	85 Å²	85	56.6 Å²	56.6	55%	0.552	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-30.9	-179.9	-25.5	30.8	0	0	0	113.8	Y214	P185-Y214 HydrophobicContact CB-CE1 4.47Å; P185-Y214 HydrophobicContact CB-CE2 4.47Å; P185-Y214 HydrophobicContact CG-CD1 3.62Å; P185-Y214 HydrophobicContact CG-CD2 4.38Å; P185-Y214 HydrophobicContact CG-CE1 3.66Å; P185-Y214 HydrophobicContact CG-CE2 4.4Å; P185-Y214 HydrophobicContact CG-CG 4Å
186	T	77.5	Confident	83	Confident	118 Å²	118	58.9 Å²	58.9	72%	0.724	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-3.5	-177.8	53.3	0	0	0	0	113.6	E184	E184-T186 PolarHBondContact O-N 3.48Å
187	R	75.3	Confident	82.2	Confident	67 Å²	67	62 Å²	62	25%	0.253	38%	0.375	S	S	.	.			trans	-119.3	127.6	-177.4	-63.2	-174.2	-176.5	-138.6	-21.6	111.6	E184 S700	E184-R187 HydrophobicContact CB-CB 4.03Å; E184-R187 HydrophobicContact CB-CG 3.99Å; E184-R187 PolarHBondContact O-N 2.83Å; E184-R187 IonicContact OE1-NE 3.76Å; E184-R187 WeakPolarHBondContact OE2-CD 3.49Å; E184-R187 IonicContact OE2-CZ 3.16Å; E184-R187 IonicContact OE2-NE 2.77Å; E184-R187 PolarHBondContact OE2-NE 2.59Å; R187-S700 VanDerWaalsContact CZ-CB 3.46Å; R187-S700 PolarHBondContact NH1-OG 3.41Å; R187-S700 VanDerWaalsContact NH1-OG 3.17Å; R187-S700 PolarHBondContact NH2-OG 3.1Å
188	P	73.6	Confident	82.3	Confident	104 Å²	104	63.2 Å²	63.2	68%	0.675	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-68.1	167.1	169.1	31.4	-34.2	0	0	0	110.7
189	P	79.9	Confident	82.7	Confident	101 Å²	101	59.8 Å²	59.8	66%	0.656	35%	0.354	S	S	*	.	S	Bend	trans	-51.6	152.4	172.8	-25.7	33.9	0	0	0	113
190	P	83.9	Confident	82.3	Confident	110 Å²	110	54.9 Å²	54.9	71%	0.714	33%	0.329	S	S	*	.	S	Bend	cis	-72.9	137.6	10.7	29.2	-34.7	0	0	0	112.9
191	C	89.5	Confident	81.9	Confident	50 Å²	50	60.5 Å²	60.5	34%	0.338	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-73.6	130.5	174.6	-61.1	0	0	0	0	109.1	A181 C183	A181-C191 HydrophobicContact CB-CB 4Å; A181-C191 VanDerWaalsContact CB-O 3.3Å; A181-C191 WeakPolarHBondContact CB-O 3.49Å; C183-C191 VanDerWaalsContact CA-SG 3.6Å; C183-C191 HydrophobicContact CB-CB 4.03Å; C183-C191 WeakPolarHBondContact CB-SG 3.36Å; C183-C191 PolarHBondContact N-SG 3.37Å; C183-C191 WeakPolarHBondContact SG-CA 3.36Å; C183-C191 WeakPolarHBondContact SG-CB 3.47Å; C183-C191 CovalentContact SG-SG 2.05Å; C183-C191 PolarHBondContact SG-SG 2.96Å
192	T	88.2	Confident	81.6	Confident	72 Å²	72	59.8 Å²	59.8	44%	0.442	34%	0.341	S	S	.	.			trans	-126.1	4.5	-171.7	59.8	0	0	0	0	114.3	P194	T192-P194 WeakPolarHBondContact O-CD 3.35Å
193	M	89.4	Confident	81.1	Confident	14 Å²	14	59.7 Å²	59.7	7%	0.069	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	95.9	176.6	-59.6	-172.2	-61.1	0	0	110.7	A181 V182 C183 E184 D198 L199 I202	A181-M193 WeakPolarHBondContact CA-O 3.37Å; V182-M193 HydrophobicContact CB-CE 4.26Å; V182-M193 HydrophobicContact CG1-CE 3.79Å; V182-M193 PolarHBondContact N-O 3.02Å; V182-M193 VanDerWaalsContact O-CB 3.26Å; V182-M193 WeakPolarHBondContact O-CB 3.38Å; V182-M193 PolarHBondContact O-N 2.94Å; C183-M193 WeakPolarHBondContact O-CE 3.33Å; E184-M193 HydrophobicContact CG-CE 4.04Å; E184-M193 HydrophobicContact CG-CG 4.27Å; E184-M193 HydrophobicContact CG-SD 3.69Å; M193-D198 HydrophobicContact CB-CB 3.94Å; M193-D198 HydrophobicContact CG-CB 4.36Å; M193-L199 HydrophobicContact CB-CD2 3.65Å; M193-L199 HydrophobicContact CB-CG 4.48Å; M193-L199 HydrophobicContact CE-CD2 4.03Å; M193-L199 HydrophobicContact SD-CD2 4.42Å; M193-I202 HydrophobicContact CE-CD1 4.45Å; M193-I202 HydrophobicContact SD-CD1 3.69Å
194	P	83.8	Confident	80.2	Confident	42 Å²	42	59.2 Å²	59.2	27%	0.273	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	161.9	174	30.8	-39.1	0	0	0	111.9	T192 E196 D198 L199	T192-P194 WeakPolarHBondContact O-CD 3.35Å; P194-E196 VanDerWaalsContact C-N 3.28Å; P194-E196 WeakPolarHBondContact CG-O 3.47Å; P194-E196 PolarHBondContact O-N 3.03Å; P194-D198 WeakPolarHBondContact CD-OD2 3.36Å; P194-L199 WeakPolarHBondContact O-CG 3.24Å; P194-L199 PolarHBondContact O-N 2.89Å
195	L	79.9	Confident	79.6	Confident	35 Å²	35	58.4 Å²	58.4	18%	0.183	34%	0.336	C	S	.	.	I	π-helix	trans	-49.1	-50.2	174.8	177.1	61.6	0	0	0	112.1	F177 L199 A200 W219 M330	F177-L195 HydrophobicContact CD1-CD2 4.19Å; F177-L195 HydrophobicContact CE1-CD2 4.2Å; L195-L199 PolarHBondContact O-N 3.19Å; L195-A200 WeakPolarHBondContact O-CB 3.48Å; L195-A200 PolarHBondContact O-N 2.94Å; L195-W219 HydrophobicContact CB-CE3 4.41Å; L195-W219 HydrophobicContact CB-CH2 3.69Å; L195-W219 HydrophobicContact CB-CZ2 4.04Å; L195-W219 HydrophobicContact CB-CZ3 3.89Å; L195-W219 HydrophobicContact CD1-CD2 4.28Å; L195-W219 HydrophobicContact CD1-CZ2 4.17Å; L195-W219 HydrophobicContact CD2-CH2 4.14Å; L195-W219 HydrophobicContact CD2-CZ2 3.74Å; L195-W219 HydrophobicContact CG-CH2 4.35Å; L195-W219 HydrophobicContact CG-CZ2 4.2Å; L195-M330 HydrophobicContact CD1-CB 4.28Å; L195-M330 HydrophobicContact CD1-CG 3.29Å; L195-M330 HydrophobicContact CD1-SD 4.48Å
196	E	71.5	Confident	79.9	Confident	117 Å²	117	54.9 Å²	54.9	55%	0.547	31%	0.313	S	S	.	.	I	π-helix	trans	-120.9	135.3	173.3	-64.3	-165	-179.6	0	0	110.5	P194 A200	P194-E196 VanDerWaalsContact C-N 3.28Å; P194-E196 WeakPolarHBondContact CG-O 3.47Å; P194-E196 PolarHBondContact O-N 3.03Å; E196-A200 HydrophobicContact CG-CB 4.17Å
197	P	71.6	Confident	80.1	Confident	90 Å²	90	53.2 Å²	53.2	58%	0.584	30%	0.303	S	S	*	.	I	π-helix	cis	-87.1	-11.6	0.9	35	-34.9	0	0	0	114.1	R201	P197-R201 WeakPolarHBondContact O-CB 3.42Å; P197-R201 PolarHBondContact O-N 3.24Å
198	D	83.8	Confident	80.6	Confident	46 Å²	46	53.5 Å²	53.5	25%	0.246	31%	0.31	C	S	.	.	I	π-helix	trans	-71.6	-57.8	-160.7	-70.2	-58.5	0	0	0	114.7	M193 P194 A200 R201 I202	M193-D198 HydrophobicContact CB-CB 3.94Å; M193-D198 HydrophobicContact CG-CB 4.36Å; P194-D198 WeakPolarHBondContact CD-OD2 3.36Å; D198-A200 VanDerWaalsContact C-N 3.33Å; D198-A200 PolarHBondContact O-N 2.96Å; D198-R201 WeakPolarHBondContact O-CB 3.44Å; D198-R201 PolarHBondContact O-N 3.49Å; D198-R201 IonicContact OD1-NH2 3.45Å; D198-I202 WeakPolarHBondContact O-CG1 3.47Å; D198-I202 PolarHBondContact O-N 2.64Å
199	L	85	Confident	81.2	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.281	C	S	.	.	I	π-helix	trans	-65.6	-41.7	-178.6	-52.1	-175.1	0	0	0	110.8	V182 M193 P194 L195 R201 I202 M203 V215 W219 M330	V182-L199 HydrophobicContact CB-CD1 3.91Å; V182-L199 HydrophobicContact CB-CD2 3.85Å; V182-L199 HydrophobicContact CB-CG 4.49Å; V182-L199 HydrophobicContact CG1-CD2 4.27Å; V182-L199 HydrophobicContact CG2-CD1 3.5Å; V182-L199 VanDerWaalsContact CG2-CD1 3.5Å; V182-L199 HydrophobicContact CG2-CD2 4.33Å; M193-L199 HydrophobicContact CB-CD2 3.65Å; M193-L199 HydrophobicContact CB-CG 4.48Å; M193-L199 HydrophobicContact CE-CD2 4.03Å; M193-L199 HydrophobicContact SD-CD2 4.42Å; P194-L199 WeakPolarHBondContact O-CG 3.24Å; P194-L199 PolarHBondContact O-N 2.89Å; L195-L199 PolarHBondContact O-N 3.19Å; L199-R201 VanDerWaalsContact C-N 3.28Å; L199-R201 PolarHBondContact O-N 2.81Å; L199-I202 HydrophobicContact CD2-CD1 4.49Å; L199-I202 PolarHBondContact O-N 2.8Å; L199-I202 VanDerWaalsContact O-N 3.16Å; L199-M203 WeakPolarHBondContact O-CG 3.28Å; L199-M203 PolarHBondContact O-N 3.25Å; L199-V215 HydrophobicContact CB-CG1 3.84Å; L199-V215 HydrophobicContact CD1-CG1 4.35Å; L199-V215 HydrophobicContact CD2-CG1 3.7Å; L199-V215 HydrophobicContact CD2-CG2 4.36Å; L199-V215 HydrophobicContact CG-CG1 4.13Å; L199-W219 HydrophobicContact CD1-CB 4.06Å; L199-W219 HydrophobicContact CD1-CD2 4.22Å; L199-W219 HydrophobicContact CD1-CE3 3.76Å; L199-W219 HydrophobicContact CD1-CG 4.36Å; L199-M330 HydrophobicContact CB-SD 4.25Å
200	A	76.3	Confident	81.6	Confident	6 Å²	6	48.2 Å²	48.2	5%	0.05	27%	0.27	C	S	.	.	H	α-helix	trans	-56.1	-42.4	173.8	0	0	0	0	0	111.5	L195 E196 D198 A204 G328	L195-A200 WeakPolarHBondContact O-CB 3.48Å; L195-A200 PolarHBondContact O-N 2.94Å; E196-A200 HydrophobicContact CG-CB 4.17Å; D198-A200 VanDerWaalsContact C-N 3.33Å; D198-A200 PolarHBondContact O-N 2.96Å; A200-A204 WeakPolarHBondContact O-CB 3.3Å; A200-A204 PolarHBondContact O-N 3.41Å; A200-G328 WeakPolarHBondContact O-CA 3.34Å; A200-G328 PolarHBondContact O-N 3.44Å
201	R	79.7	Confident	81.9	Confident	125 Å²	125	46.3 Å²	46.3	47%	0.472	25%	0.252	S	S	.	.	H	α-helix	trans	-67.9	-44.6	174.9	-179.2	-171.3	62.3	73.3	-1.7	111.8	P197 D198 L199 A204 T205	P197-R201 WeakPolarHBondContact O-CB 3.42Å; P197-R201 PolarHBondContact O-N 3.24Å; D198-R201 WeakPolarHBondContact O-CB 3.44Å; D198-R201 PolarHBondContact O-N 3.49Å; D198-R201 IonicContact OD1-NH2 3.45Å; L199-R201 VanDerWaalsContact C-N 3.28Å; L199-R201 PolarHBondContact O-N 2.81Å; R201-A204 CarbonylContact O-C 3.28Å; R201-A204 PolarHBondContact O-N 3.21Å; R201-T205 HydrophobicContact CG-CG2 4.32Å; R201-T205 WeakPolarHBondContact O-CB 3.25Å; R201-T205 WeakPolarHBondContact O-CG2 3.18Å; R201-T205 PolarHBondContact O-N 2.64Å; R201-T205 PolarHBondContact O-OG1 2.03Å
202	I	82.9	Confident	81.8	Confident	8 Å²	8	44 Å²	44	4%	0.041	24%	0.235	C	C	.	.	H	α-helix	trans	-61.3	-50.9	-179.9	-69.4	165.9	0	0	0	109.7	M193 D198 L199 A204 T205 S206 Q211 V215	M193-I202 HydrophobicContact CE-CD1 4.45Å; M193-I202 HydrophobicContact SD-CD1 3.69Å; D198-I202 WeakPolarHBondContact O-CG1 3.47Å; D198-I202 PolarHBondContact O-N 2.64Å; L199-I202 HydrophobicContact CD2-CD1 4.49Å; L199-I202 PolarHBondContact O-N 2.8Å; L199-I202 VanDerWaalsContact O-N 3.16Å; I202-A204 VanDerWaalsContact C-N 3.33Å; I202-A204 PolarHBondContact O-N 2.86Å; I202-T205 PolarHBondContact O-N 3.16Å; I202-T205 VanDerWaalsContact O-N 3.13Å; I202-S206 WeakPolarHBondContact O-CB 3.42Å; I202-S206 PolarHBondContact O-N 3Å; I202-Q211 HydrophobicContact CG2-CG 3.81Å; I202-V215 HydrophobicContact CD1-CG2 4.29Å; I202-V215 HydrophobicContact CG2-CG2 3.97Å
203	M	81.2	Confident	81.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-58.1	-50.7	174	-60.2	-42.3	-77.4	0	0	109.2	L199 T205 L212 V215 W216 H307 V310 S311 S312 M330	L199-M203 WeakPolarHBondContact O-CG 3.28Å; L199-M203 PolarHBondContact O-N 3.25Å; M203-T205 PolarHBondContact O-N 2.05Å; M203-L212 HydrophobicContact CE-CB 4.14Å; M203-L212 HydrophobicContact CE-CD2 3.7Å; M203-L212 HydrophobicContact SD-CD2 3.83Å; M203-V215 HydrophobicContact CG-CG1 4.21Å; M203-V215 HydrophobicContact SD-CB 3.88Å; M203-V215 HydrophobicContact SD-CG1 3.63Å; M203-W216 HydrophobicContact CE-CB 4.06Å; M203-H307 HydrophobicContact CE-CB 4.47Å; M203-V310 CarbonylContact C-O 3.49Å; M203-V310 HydrophobicContact CB-CB 4.42Å; M203-V310 HydrophobicContact CE-CB 4.26Å; M203-V310 HydrophobicContact CE-CG2 3.22Å; M203-S311 CarbonylContact O-C 3.33Å; M203-S311 WeakPolarHBondContact O-CA 3.17Å; M203-S312 PolarHBondContact O-N 3.41Å; M203-S312 VanDerWaalsContact O-N 3.12Å; M203-M330 HydrophobicContact CB-SD 4.29Å; M203-M330 HydrophobicContact CG-CE 4.26Å; M203-M330 HydrophobicContact CG-SD 3.19Å; M203-M330 WeakPolarHBondContact CG-SD 3.5Å; M203-M330 HydrophobicContact SD-SD 4.23Å
204	A	70.8	Confident	81.9	Confident	4 Å²	4	45.4 Å²	45.4	3%	0.033	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	1.3	-179.9	0	0	0	0	0	115.9	A200 R201 I202 S312 R326	A200-A204 WeakPolarHBondContact O-CB 3.3Å; A200-A204 PolarHBondContact O-N 3.41Å; R201-A204 CarbonylContact O-C 3.28Å; R201-A204 PolarHBondContact O-N 3.21Å; I202-A204 VanDerWaalsContact C-N 3.33Å; I202-A204 PolarHBondContact O-N 2.86Å; A204-S312 CarbonylContact C-O 3.47Å; A204-S312 CarbonylContact O-C 3.24Å; A204-S312 VanDerWaalsContact O-CA 3.29Å; A204-S312 WeakPolarHBondContact O-CA 3.46Å; A204-S312 WeakPolarHBondContact O-CB 3.44Å; A204-S312 PolarHBondContact O-OG 3.46Å; A204-R326 WeakPolarHBondContact CB-O 3.46Å
205	T	73.5	Confident	82.3	Confident	33 Å²	33	43.5 Å²	43.5	20%	0.202	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.9	-22.6	-177.6	60.4	0	0	0	0	115.2	R201 I202 M203 S312	R201-T205 HydrophobicContact CG-CG2 4.32Å; R201-T205 WeakPolarHBondContact O-CB 3.25Å; R201-T205 WeakPolarHBondContact O-CG2 3.18Å; R201-T205 PolarHBondContact O-N 2.64Å; R201-T205 PolarHBondContact O-OG1 2.03Å; I202-T205 PolarHBondContact O-N 3.16Å; I202-T205 VanDerWaalsContact O-N 3.13Å; M203-T205 PolarHBondContact O-N 2.05Å; T205-S312 CarbonylContact C-O 3.28Å; T205-S312 VanDerWaalsContact C-O 3.28Å; T205-S312 WeakPolarHBondContact CA-O 3.43Å; T205-S312 PolarHBondContact N-O 2.76Å
206	S	81.7	Confident	82.8	Confident	10 Å²	10	41.8 Å²	41.8	7%	0.07	21%	0.212	C	C	.	.			trans	-75.2	142.4	-174.2	-172	0	0	0	0	112.2	I202 D208 Q211	I202-S206 WeakPolarHBondContact O-CB 3.42Å; I202-S206 PolarHBondContact O-N 3Å; S206-D208 PolarHBondContact OG-N 2.99Å; S206-Q211 PolarHBondContact OG-OE1 3.43Å
207	T	80	Confident	83.8	Confident	84 Å²	84	37.7 Å²	37.7	52%	0.515	19%	0.193	S	C	.	.			trans	-109.7	-3.6	174.7	63.6	0	0	0	0	112.3	Y294 W313	T207-Y294 PolarHBondContact O-OH 3.41Å; T207-Y294 VanDerWaalsContact O-OH 3.11Å; T207-W313 VanDerWaalsContact CA-CZ3 3.46Å; T207-W313 HydrophobicContact CG2-CD2 4.21Å; T207-W313 HydrophobicContact CG2-CE3 3.15Å; T207-W313 HydrophobicContact CG2-CH2 4.05Å; T207-W313 HydrophobicContact CG2-CZ3 3.04Å
208	D	86.9	Confident	84.8	Confident	73 Å²	73	34.3 Å²	34.3	39%	0.39	17%	0.173	S	C	.	.			trans	-88.1	111.5	-178.8	-179.9	-6.8	0	0	0	108.4	S206 N210 Q211 L212	S206-D208 PolarHBondContact OG-N 2.99Å; D208-N210 PolarHBondContact O-N 3.07Å; D208-N210 WeakPolarHBondContact OD1-CB 3.25Å; D208-N210 PolarHBondContact OD1-N 3.24Å; D208-Q211 HydrophobicContact CB-CB 3.88Å; D208-Q211 PolarHBondContact O-N 3.09Å; D208-Q211 VanDerWaalsContact O-N 3.15Å; D208-Q211 PolarHBondContact OD1-N 2.65Å; D208-L212 WeakPolarHBondContact O-CG 3.48Å; D208-L212 PolarHBondContact O-N 3.47Å
209	I	86.5	Confident	85.2	Confident	14 Å²	14	32.1 Å²	32.1	7%	0.072	16%	0.161	C	C	.	.	H	α-helix	trans	-58.6	-34.1	-179.6	-168.7	152.1	0	0	0	112.5	L212 Y213 Y294 F297 L308	I209-L212 PolarHBondContact O-N 2.88Å; I209-Y213 WeakPolarHBondContact O-CB 3.37Å; I209-Y213 PolarHBondContact O-N 2.78Å; I209-Y294 HydrophobicContact CB-CD1 4.17Å; I209-Y294 HydrophobicContact CB-CE1 3.86Å; I209-Y294 HydrophobicContact CD1-CD1 3.88Å; I209-Y294 HydrophobicContact CD1-CD2 4.46Å; I209-Y294 HydrophobicContact CD1-CE1 4.28Å; I209-Y294 HydrophobicContact CD1-CG 3.94Å; I209-F297 HydrophobicContact CD1-CB 3.51Å; I209-F297 HydrophobicContact CD1-CD1 3.44Å; I209-F297 VanDerWaalsContact CD1-CD1 3.44Å; I209-F297 HydrophobicContact CD1-CD2 3.53Å; I209-F297 HydrophobicContact CD1-CE1 3.95Å; I209-F297 HydrophobicContact CD1-CE2 4.02Å; I209-F297 HydrophobicContact CD1-CG 3.2Å; I209-F297 HydrophobicContact CD1-CZ 4.22Å; I209-F297 HydrophobicContact CG1-CD1 4.2Å; I209-F297 HydrophobicContact CG1-CE1 4.33Å; I209-F297 HydrophobicContact CG1-CG 4.37Å; I209-F297 HydrophobicContact CG2-CE1 4.38Å; I209-F297 HydrophobicContact CG2-CE2 4.11Å; I209-F297 HydrophobicContact CG2-CZ 3.95Å; I209-L308 HydrophobicContact CD1-CD2 4.06Å; I209-L308 HydrophobicContact CG1-CD2 4.16Å
210	N	87.9	Confident	85.7	Confident	80 Å²	80	32.5 Å²	32.5	43%	0.428	16%	0.162	S	C	.	.	H	α-helix	trans	-72.2	-38.9	179.5	-62.5	-43.4	0	0	0	110.7	D208 Y213 Y214	D208-N210 PolarHBondContact O-N 3.07Å; D208-N210 WeakPolarHBondContact OD1-CB 3.25Å; D208-N210 PolarHBondContact OD1-N 3.24Å; N210-Y213 PolarHBondContact O-N 2.74Å; N210-Y214 WeakPolarHBondContact O-CB 3.27Å; N210-Y214 PolarHBondContact O-N 2.95Å
211	Q	89	Confident	86.5	Confident	70 Å²	70	35.6 Å²	35.6	33%	0.327	18%	0.178	S	C	.	.	H	α-helix	trans	-66.2	-44	174.9	-170.8	178.9	51.6	0	0	111.3	I202 S206 D208 Y214 V215	I202-Q211 HydrophobicContact CG2-CG 3.81Å; S206-Q211 PolarHBondContact OG-OE1 3.43Å; D208-Q211 HydrophobicContact CB-CB 3.88Å; D208-Q211 PolarHBondContact O-N 3.09Å; D208-Q211 VanDerWaalsContact O-N 3.15Å; D208-Q211 PolarHBondContact OD1-N 2.65Å; Q211-Y214 PolarHBondContact O-N 3.24Å; Q211-V215 WeakPolarHBondContact O-CB 3.06Å; Q211-V215 WeakPolarHBondContact O-CG2 3.46Å; Q211-V215 PolarHBondContact O-N 2.97Å
212	L	87.7	Confident	87.1	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.1	-45.9	175.9	-68.3	174	0	0	0	111.1	M203 D208 I209 W216 L308	M203-L212 HydrophobicContact CE-CB 4.14Å; M203-L212 HydrophobicContact CE-CD2 3.7Å; M203-L212 HydrophobicContact SD-CD2 3.83Å; D208-L212 WeakPolarHBondContact O-CG 3.48Å; D208-L212 PolarHBondContact O-N 3.47Å; I209-L212 PolarHBondContact O-N 2.88Å; L212-W216 WeakPolarHBondContact O-CB 3.39Å; L212-W216 PolarHBondContact O-N 3.31Å; L212-L308 HydrophobicContact CD1-CD2 4.18Å
213	Y	89.6	Confident	87.6	Confident	50 Å²	50	30.6 Å²	30.6	20%	0.196	17%	0.165	C	C	.	.	H	α-helix	trans	-57.8	-52.1	175.5	173.1	-89.7	0	0	0	111.2	I209 N210 W216 L217 H307 P549 A550 Y681	I209-Y213 WeakPolarHBondContact O-CB 3.37Å; I209-Y213 PolarHBondContact O-N 2.78Å; N210-Y213 PolarHBondContact O-N 2.74Å; Y213-W216 PolarHBondContact O-N 3.39Å; Y213-L217 HydrophobicContact CE1-CD2 3.92Å; Y213-L217 WeakPolarHBondContact O-CB 3.09Å; Y213-L217 PolarHBondContact O-N 3.45Å; Y213-H307 PolarHBondContact N-CD2 3.39Å; Y213-P549 HydrophobicContact CD2-CB 3.83Å; Y213-P549 HydrophobicContact CD2-CG 4.11Å; Y213-P549 HydrophobicContact CE2-CB 4.02Å; Y213-P549 HydrophobicContact CE2-CG 4.31Å; Y213-P549 WeakPolarHBondContact CE2-O 3.02Å; Y213-A550 HydrophobicContact CE2-CB 3.98Å; Y213-A550 WeakPolarHBondContact OH-CB 3.39Å; Y213-Y681 HydrophobicContact CE2-CE1 4.29Å
214	Y	91.5	Very high	88.3	Confident	67 Å²	67	30.6 Å²	30.6	26%	0.263	17%	0.165	S	C	.	.	H	α-helix	trans	-59.3	-54.2	-177.6	172.4	-93.3	0	0	0	111.5	V182 C183 P185 N210 Q211 W216 L217 A218	V182-Y214 HydrophobicContact CG1-CE1 3.76Å; C183-Y214 WeakPolarHBondContact O-CE1 3.33Å; C183-Y214 PolarHBondContact O-OH 3.29Å; P185-Y214 HydrophobicContact CB-CE1 4.47Å; P185-Y214 HydrophobicContact CB-CE2 4.47Å; P185-Y214 HydrophobicContact CG-CD1 3.62Å; P185-Y214 HydrophobicContact CG-CD2 4.38Å; P185-Y214 HydrophobicContact CG-CE1 3.66Å; P185-Y214 HydrophobicContact CG-CE2 4.4Å; P185-Y214 HydrophobicContact CG-CG 4Å; N210-Y214 WeakPolarHBondContact O-CB 3.27Å; N210-Y214 PolarHBondContact O-N 2.95Å; Q211-Y214 PolarHBondContact O-N 3.24Å; Y214-W216 VanDerWaalsContact C-N 3.32Å; Y214-W216 PolarHBondContact O-N 2.99Å; Y214-L217 PolarHBondContact O-N 3.2Å; Y214-A218 HydrophobicContact CE1-CB 4.25Å; Y214-A218 WeakPolarHBondContact O-CB 3.45Å; Y214-A218 PolarHBondContact O-N 3.44Å
215	V	90.8	Very high	89.5	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-63.6	-41.1	-177	166.7	0	0	0	0	111	L199 I202 M203 Q211 L217 W219 M330	L199-V215 HydrophobicContact CB-CG1 3.84Å; L199-V215 HydrophobicContact CD1-CG1 4.35Å; L199-V215 HydrophobicContact CD2-CG1 3.7Å; L199-V215 HydrophobicContact CD2-CG2 4.36Å; L199-V215 HydrophobicContact CG-CG1 4.13Å; I202-V215 HydrophobicContact CD1-CG2 4.29Å; I202-V215 HydrophobicContact CG2-CG2 3.97Å; M203-V215 HydrophobicContact CG-CG1 4.21Å; M203-V215 HydrophobicContact SD-CB 3.88Å; M203-V215 HydrophobicContact SD-CG1 3.63Å; Q211-V215 WeakPolarHBondContact O-CB 3.06Å; Q211-V215 WeakPolarHBondContact O-CG2 3.46Å; Q211-V215 PolarHBondContact O-N 2.97Å; V215-L217 VanDerWaalsContact C-N 3.34Å; V215-L217 PolarHBondContact O-N 2.98Å; V215-W219 WeakPolarHBondContact O-CB 2.94Å; V215-W219 PolarHBondContact O-N 3.07Å; V215-M330 HydrophobicContact CG1-CE 3.94Å; V215-M330 HydrophobicContact CG1-SD 4.42Å
216	W	90.5	Very high	90.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.7	-44.5	177.6	-178.7	97.2	0	0	0	112.3	M203 L212 Y213 Y214 R220 A306 H307 W537 P549	M203-W216 HydrophobicContact CE-CB 4.06Å; L212-W216 WeakPolarHBondContact O-CB 3.39Å; L212-W216 PolarHBondContact O-N 3.31Å; Y213-W216 PolarHBondContact O-N 3.39Å; Y214-W216 VanDerWaalsContact C-N 3.32Å; Y214-W216 PolarHBondContact O-N 2.99Å; W216-R220 VanDerWaalsContact CE2-NE 3.28Å; W216-R220 VanDerWaalsContact CE2-NH1 3.29Å; W216-R220 VanDerWaalsContact CZ2-CD 3.43Å; W216-R220 VanDerWaalsContact NE1-NH1 3.12Å; W216-R220 VanDerWaalsContact NE1-NH2 3.16Å; W216-R220 WeakPolarHBondContact O-CD 3.31Å; W216-R220 PolarHBondContact O-NH1 3.35Å; W216-R220 VanDerWaalsContact O-NH1 3.07Å; W216-A306 HydrophobicContact CZ2-CB 3.88Å; W216-H307 HydrophobicContact CB-CB 3.63Å; W216-H307 HydrophobicContact CD2-CB 4.23Å; W216-H307 HydrophobicContact CG-CB 3.59Å; W216-W537 AromaticContact CH2-CH2 3.76Å; W216-W537 HydrophobicContact CH2-CH2 3.76Å; W216-W537 AromaticContact CH2-CZ2 3.54Å; W216-W537 HydrophobicContact CH2-CZ2 3.54Å; W216-W537 AromaticContact CZ2-CH2 3.52Å; W216-W537 HydrophobicContact CZ2-CH2 3.52Å; W216-W537 AromaticContact CZ2-CZ2 3.68Å; W216-W537 HydrophobicContact CZ2-CZ2 3.68Å; W216-P549 HydrophobicContact CD2-CG 4.14Å; W216-P549 HydrophobicContact CE3-CG 3.71Å; W216-P549 HydrophobicContact CH2-CG 4.38Å; W216-P549 HydrophobicContact CZ3-CG 3.86Å
217	L	92.2	Very high	91.2	Very high	30 Å²	30	36.8 Å²	36.8	16%	0.157	19%	0.194	C	C	.	.	H	α-helix	trans	-74.3	-46.6	-179	179.1	59.9	0	0	0	111.3	Y213 Y214 V215 W219 R220 N221 A550 R552	Y213-L217 HydrophobicContact CE1-CD2 3.92Å; Y213-L217 WeakPolarHBondContact O-CB 3.09Å; Y213-L217 PolarHBondContact O-N 3.45Å; Y214-L217 PolarHBondContact O-N 3.2Å; V215-L217 VanDerWaalsContact C-N 3.34Å; V215-L217 PolarHBondContact O-N 2.98Å; L217-W219 VanDerWaalsContact C-N 3.33Å; L217-W219 PolarHBondContact O-N 2.88Å; L217-R220 PolarHBondContact O-N 3.35Å; L217-N221 VanDerWaalsContact O-CG 3.27Å; L217-N221 PolarHBondContact O-N 2.64Å; L217-N221 PolarHBondContact O-OD1 3.15Å; L217-A550 HydrophobicContact CD1-CB 3.97Å; L217-A550 HydrophobicContact CD2-CB 4.13Å; L217-R552 VanDerWaalsContact CD1-NH1 3.27Å
218	A	93.2	Very high	92	Very high	19 Å²	19	34.4 Å²	34.4	16%	0.157	18%	0.176	C	C	.	.	H	α-helix	trans	-62.4	-39.6	-177.5	0	0	0	0	0	111.9	V182 Y214 R220 N221 A222	V182-A218 HydrophobicContact CB-CB 4.29Å; V182-A218 HydrophobicContact CG1-CB 3.47Å; V182-A218 VanDerWaalsContact CG1-CB 3.47Å; V182-A218 HydrophobicContact CG2-CB 3.84Å; Y214-A218 HydrophobicContact CE1-CB 4.25Å; Y214-A218 WeakPolarHBondContact O-CB 3.45Å; Y214-A218 PolarHBondContact O-N 3.44Å; A218-R220 PolarHBondContact O-N 3.3Å; A218-N221 PolarHBondContact O-N 3.48Å; A218-A222 WeakPolarHBondContact O-CB 3.43Å; A218-A222 PolarHBondContact O-N 3.21Å
219	W	92.7	Very high	92.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.3	-48.7	174.5	173.5	-116.5	0	0	0	111.8	F177 V182 L195 L199 V215 L217 N221 A222 V223 M330 S561	F177-W219 HydrophobicContact CD1-CH2 4.17Å; F177-W219 AromaticContact CD1-CZ2 3.84Å; F177-W219 HydrophobicContact CD1-CZ2 3.84Å; F177-W219 HydrophobicContact CE1-CH2 4.46Å; F177-W219 AromaticContact CE1-CZ2 3.69Å; F177-W219 HydrophobicContact CE1-CZ2 3.69Å; F177-W219 HydrophobicContact CZ-CZ2 4.26Å; V182-W219 HydrophobicContact CG2-CB 4.17Å; L195-W219 HydrophobicContact CB-CE3 4.41Å; L195-W219 HydrophobicContact CB-CH2 3.69Å; L195-W219 HydrophobicContact CB-CZ2 4.04Å; L195-W219 HydrophobicContact CB-CZ3 3.89Å; L195-W219 HydrophobicContact CD1-CD2 4.28Å; L195-W219 HydrophobicContact CD1-CZ2 4.17Å; L195-W219 HydrophobicContact CD2-CH2 4.14Å; L195-W219 HydrophobicContact CD2-CZ2 3.74Å; L195-W219 HydrophobicContact CG-CH2 4.35Å; L195-W219 HydrophobicContact CG-CZ2 4.2Å; L199-W219 HydrophobicContact CD1-CB 4.06Å; L199-W219 HydrophobicContact CD1-CD2 4.22Å; L199-W219 HydrophobicContact CD1-CE3 3.76Å; L199-W219 HydrophobicContact CD1-CG 4.36Å; V215-W219 WeakPolarHBondContact O-CB 2.94Å; V215-W219 PolarHBondContact O-N 3.07Å; L217-W219 VanDerWaalsContact C-N 3.33Å; L217-W219 PolarHBondContact O-N 2.88Å; W219-N221 VanDerWaalsContact C-N 3.28Å; W219-N221 PolarHBondContact O-N 3.31Å; W219-A222 PolarHBondContact O-N 2.87Å; W219-A222 VanDerWaalsContact O-N 3.15Å; W219-V223 HydrophobicContact CD2-CG1 4.47Å; W219-V223 HydrophobicContact CD2-CG2 4.34Å; W219-V223 HydrophobicContact CE3-CG1 4.12Å; W219-V223 HydrophobicContact CH2-CG1 3.44Å; W219-V223 VanDerWaalsContact CH2-CG1 3.44Å; W219-V223 HydrophobicContact CH2-CG2 4.36Å; W219-V223 HydrophobicContact CZ2-CB 4.45Å; W219-V223 HydrophobicContact CZ2-CG1 3.82Å; W219-V223 HydrophobicContact CZ2-CG2 3.87Å; W219-V223 HydrophobicContact CZ3-CG1 3.61Å; W219-V223 WeakPolarHBondContact O-CG2 3.5Å; W219-V223 PolarHBondContact O-N 2.93Å; W219-V223 VanDerWaalsContact O-N 3.15Å; W219-M330 HydrophobicContact CB-CE 3.47Å; W219-M330 VanDerWaalsContact CB-CE 3.47Å; W219-M330 HydrophobicContact CG-CE 3.76Å; W219-S561 PolarHBondContact NE1-O 2.91Å
220	R	94.2	Very high	93	Very high	8 Å²	8	35.5 Å²	35.5	3%	0.03	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-38.3	178.8	-78.8	161	174.6	76.6	2	112.4	W216 L217 A218 G224 P225 M330 D558 S561	W216-R220 VanDerWaalsContact CE2-NE 3.28Å; W216-R220 VanDerWaalsContact CE2-NH1 3.29Å; W216-R220 VanDerWaalsContact CZ2-CD 3.43Å; W216-R220 VanDerWaalsContact NE1-NH1 3.12Å; W216-R220 VanDerWaalsContact NE1-NH2 3.16Å; W216-R220 WeakPolarHBondContact O-CD 3.31Å; W216-R220 PolarHBondContact O-NH1 3.35Å; W216-R220 VanDerWaalsContact O-NH1 3.07Å; L217-R220 PolarHBondContact O-N 3.35Å; A218-R220 PolarHBondContact O-N 3.3Å; R220-G224 VanDerWaalsContact O-CA 3.27Å; R220-G224 WeakPolarHBondContact O-CA 3.38Å; R220-G224 PolarHBondContact O-N 2.83Å; R220-P225 WeakPolarHBondContact O-CD 3.45Å; R220-M330 PolarHBondContact NH1-O 2.86Å; R220-M330 PolarHBondContact NH2-O 2.9Å; R220-D558 WeakPolarHBondContact CB-OD1 3.25Å; R220-D558 WeakPolarHBondContact CD-OD1 3.42Å; R220-D558 WeakPolarHBondContact CG-OD1 3.2Å; R220-S561 WeakPolarHBondContact CG-OG 3.45Å
221	N	94	Very high	93.3	Very high	72 Å²	72	31.8 Å²	31.8	39%	0.385	17%	0.165	S	C	.	.	H	α-helix	trans	-71.6	-32.5	176.8	-66	-9	0	0	0	112.3	L217 A218 W219 P225 R552	L217-N221 VanDerWaalsContact O-CG 3.27Å; L217-N221 PolarHBondContact O-N 2.64Å; L217-N221 PolarHBondContact O-OD1 3.15Å; A218-N221 PolarHBondContact O-N 3.48Å; W219-N221 VanDerWaalsContact C-N 3.28Å; W219-N221 PolarHBondContact O-N 3.31Å; N221-P225 WeakPolarHBondContact O-CD 3.01Å; N221-R552 PolarHBondContact OD1-NH1 3.28Å; N221-R552 VanDerWaalsContact OD1-NH1 3.08Å; N221-R552 PolarHBondContact OD1-NH2 3.2Å
222	A	93	Very high	93.7	Very high	27 Å²	27	31.3 Å²	31.3	22%	0.223	16%	0.164	C	C	.	.	H	α-helix	trans	-68.3	-44.9	179	0	0	0	0	0	112.1	A218 W219 Q226	A218-A222 WeakPolarHBondContact O-CB 3.43Å; A218-A222 PolarHBondContact O-N 3.21Å; W219-A222 PolarHBondContact O-N 2.87Å; W219-A222 VanDerWaalsContact O-N 3.15Å; A222-Q226 PolarHBondContact O-NE2 2.69Å
223	V	92.7	Very high	94.1	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-105.1	-34.4	-173.1	-56.6	0	0	0	0	114.5	I176 W219 Q226 M227	I176-V223 HydrophobicContact CG2-CB 3.87Å; I176-V223 HydrophobicContact CG2-CG1 4.19Å; W219-V223 HydrophobicContact CD2-CG1 4.47Å; W219-V223 HydrophobicContact CD2-CG2 4.34Å; W219-V223 HydrophobicContact CE3-CG1 4.12Å; W219-V223 HydrophobicContact CH2-CG1 3.44Å; W219-V223 VanDerWaalsContact CH2-CG1 3.44Å; W219-V223 HydrophobicContact CH2-CG2 4.36Å; W219-V223 HydrophobicContact CZ2-CB 4.45Å; W219-V223 HydrophobicContact CZ2-CG1 3.82Å; W219-V223 HydrophobicContact CZ2-CG2 3.87Å; W219-V223 HydrophobicContact CZ3-CG1 3.61Å; W219-V223 WeakPolarHBondContact O-CG2 3.5Å; W219-V223 PolarHBondContact O-N 2.93Å; W219-V223 VanDerWaalsContact O-N 3.15Å; V223-Q226 PolarHBondContact O-N 2.85Å; V223-M227 VanDerWaalsContact O-CB 3.23Å; V223-M227 WeakPolarHBondContact O-CB 3.4Å; V223-M227 PolarHBondContact O-N 3.39Å
224	G	95.3	Very high	94.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.1	-60	-170.6	0	0	0	0	0	113.2	R220 Q226 M227 R228 F557	R220-G224 VanDerWaalsContact O-CA 3.27Å; R220-G224 WeakPolarHBondContact O-CA 3.38Å; R220-G224 PolarHBondContact O-N 2.83Å; G224-Q226 VanDerWaalsContact C-N 3.28Å; G224-Q226 PolarHBondContact O-N 2.77Å; G224-M227 WeakPolarHBondContact O-CB 3.38Å; G224-M227 PolarHBondContact O-N 3.05Å; G224-R228 PolarHBondContact O-N 2.58Å; G224-R228 VanDerWaalsContact O-N 3.15Å; G224-F557 WeakPolarHBondContact CA-O 3.45Å; G224-F557 WeakPolarHBondContact O-CB 3.41Å
225	P	96.5	Very high	94.5	Very high	53 Å²	53	27.9 Å²	27.9	34%	0.344	16%	0.159	S	C	.	.	H	α-helix	trans	-54.1	-41.4	-178	-28.1	35.6	0	0	0	113.9	R220 N221	R220-P225 WeakPolarHBondContact O-CD 3.45Å; N221-P225 WeakPolarHBondContact O-CD 3.01Å
226	Q	96.4	Very high	94.7	Very high	124 Å²	124	31.6 Å²	31.6	58%	0.579	19%	0.185	S	C	*	.	H	α-helix	trans	-71.3	-32.9	178.6	-61.4	-174.4	77.7	0	0	112.4	I176 A222 V223 G224 P229	I176-Q226 HydrophobicContact CD1-CB 4.11Å; I176-Q226 HydrophobicContact CG1-CB 4.3Å; I176-Q226 HydrophobicContact CG2-CB 4.29Å; A222-Q226 PolarHBondContact O-NE2 2.69Å; V223-Q226 PolarHBondContact O-N 2.85Å; G224-Q226 VanDerWaalsContact C-N 3.28Å; G224-Q226 PolarHBondContact O-N 2.77Å; Q226-P229 WeakPolarHBondContact O-CD 3.48Å
227	M	95.5	Very high	95	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-70.5	-30.9	179.6	-173.8	63	57.3	0	0	112.8	M173 I176 F177 V223 G224 E230 Y231 F557 V566	M173-M227 HydrophobicContact CB-CE 4.24Å; M173-M227 HydrophobicContact CB-SD 3.86Å; M173-M227 HydrophobicContact CE-SD 3.51Å; M173-M227 VanDerWaalsContact CE-SD 3.51Å; M173-M227 HydrophobicContact CG-SD 3.68Å; M173-M227 WeakPolarHBondContact O-CE 3.38Å; M173-M227 HydrophobicContact SD-SD 4.44Å; I176-M227 HydrophobicContact CB-CE 3.76Å; I176-M227 HydrophobicContact CD1-CE 4.13Å; I176-M227 HydrophobicContact CG2-CE 3.63Å; F177-M227 HydrophobicContact CD2-CE 3.58Å; F177-M227 HydrophobicContact CE2-CE 3.67Å; V223-M227 VanDerWaalsContact O-CB 3.23Å; V223-M227 WeakPolarHBondContact O-CB 3.4Å; V223-M227 PolarHBondContact O-N 3.39Å; G224-M227 WeakPolarHBondContact O-CB 3.38Å; G224-M227 PolarHBondContact O-N 3.05Å; M227-E230 PolarHBondContact O-N 3.31Å; M227-Y231 WeakPolarHBondContact O-CB 3.32Å; M227-Y231 PolarHBondContact O-N 3.41Å; M227-F557 HydrophobicContact CB-CD1 4.1Å; M227-F557 HydrophobicContact CB-CE1 4.46Å; M227-F557 HydrophobicContact CG-CD1 4.1Å; M227-F557 HydrophobicContact CG-CE1 3.98Å; M227-V566 HydrophobicContact CE-CB 4.33Å; M227-V566 HydrophobicContact CE-CG1 3.99Å; M227-V566 HydrophobicContact CG-CG1 3.75Å; M227-V566 HydrophobicContact SD-CB 4.02Å; M227-V566 HydrophobicContact SD-CG1 3.64Å
228	R	96.6	Very high	95	Very high	34 Å²	34	31.3 Å²	31.3	13%	0.128	18%	0.184	C	C	.	.	H	α-helix	trans	-52.2	-55.8	-174.2	-170.5	-179.2	-177.1	111.6	-2.4	114.1	G224 E230 Y231 L232 A529 E554 D556 F557	G224-R228 PolarHBondContact O-N 2.58Å; G224-R228 VanDerWaalsContact O-N 3.15Å; R228-E230 VanDerWaalsContact C-N 3.34Å; R228-E230 PolarHBondContact O-N 3.04Å; R228-Y231 PolarHBondContact O-N 2.78Å; R228-L232 HydrophobicContact CG-CD1 4.38Å; R228-L232 WeakPolarHBondContact O-CG 3.47Å; R228-L232 PolarHBondContact O-N 2.93Å; R228-L232 VanDerWaalsContact O-N 3.12Å; R228-A529 PolarHBondContact NH2-O 3.07Å; R228-E554 IonicContact CZ-OE2 2.94Å; R228-E554 PolarHBondContact NH1-O 3.31Å; R228-E554 IonicContact NH1-OE2 3.21Å; R228-E554 PolarHBondContact NH1-OE2 3.23Å; R228-E554 IonicContact NH2-OE2 2.81Å; R228-E554 PolarHBondContact NH2-OE2 2.58Å; R228-D556 PolarHBondContact NH1-O 2.69Å; R228-D556 VanDerWaalsContact NH1-O 3.14Å; R228-F557 HydrophobicContact CB-CB 3.79Å; R228-F557 HydrophobicContact CB-CD1 4.08Å; R228-F557 HydrophobicContact CB-CD2 4.35Å; R228-F557 HydrophobicContact CB-CG 3.84Å; R228-F557 HydrophobicContact CG-CB 4.19Å; R228-F557 HydrophobicContact CG-CD2 4.07Å; R228-F557 HydrophobicContact CG-CG 4.07Å
229	P	96.5	Very high	95.2	Very high	76 Å²	76	32 Å²	32	49%	0.494	19%	0.185	S	C	.	.	H	α-helix	trans	-62.8	-39.8	-179.1	24.3	-34.8	0	0	0	112.5	Q226 L232 A233	Q226-P229 WeakPolarHBondContact O-CD 3.48Å; P229-L232 PolarHBondContact O-N 2.86Å; P229-A233 WeakPolarHBondContact O-CB 3.27Å; P229-A233 PolarHBondContact O-N 3.27Å
230	E	96.7	Very high	95.3	Very high	35 Å²	35	34.3 Å²	34.3	16%	0.164	20%	0.196	C	C	.	.	H	α-helix	trans	-67.2	-40.3	179.8	-59.9	-60.1	165.9	0	0	111.9	I169 R172 M173 I176 M227 R228 L232 A233 L234	I169-E230 HydrophobicContact CG2-CB 4.37Å; I169-E230 VanDerWaalsContact CG2-O 3.31Å; I169-E230 WeakPolarHBondContact CG2-O 3.04Å; R172-E230 HydrophobicContact CB-CG 4.3Å; R172-E230 WeakPolarHBondContact CD-OE1 3.34Å; R172-E230 IonicContact CZ-OE1 3.02Å; R172-E230 IonicContact CZ-OE2 3.62Å; R172-E230 VanDerWaalsContact CZ-OE2 3.31Å; R172-E230 IonicContact NE-OE1 3.82Å; R172-E230 PolarHBondContact NE-OE1 3.27Å; R172-E230 IonicContact NE-OE2 3.06Å; R172-E230 PolarHBondContact NE-OE2 3.33Å; R172-E230 IonicContact NH2-OE1 3.78Å; R172-E230 IonicContact NH2-OE2 3.23Å; R172-E230 PolarHBondContact NH2-OE2 2.93Å; M173-E230 HydrophobicContact CG-CB 3.55Å; M173-E230 HydrophobicContact CG-CG 4.46Å; M173-E230 HydrophobicContact SD-CB 4.29Å; I176-E230 HydrophobicContact CD1-CG 4.16Å; M227-E230 PolarHBondContact O-N 3.31Å; R228-E230 VanDerWaalsContact C-N 3.34Å; R228-E230 PolarHBondContact O-N 3.04Å; E230-L232 PolarHBondContact O-N 3.16Å; E230-A233 PolarHBondContact O-N 3.25Å; E230-L234 WeakPolarHBondContact O-CB 3.45Å; E230-L234 PolarHBondContact O-N 3.45Å
231	Y	95.8	Very high	95.2	Very high	1 Å²	1	34.1 Å²	34.1	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-41.8	176.7	-169.2	-87.2	0	0	0	111.9	M173 M227 R228 L234 A235 W518 R519 V522 F557 I565	M173-Y231 HydrophobicContact CE-CD2 3.68Å; M173-Y231 HydrophobicContact CE-CG 4.41Å; M227-Y231 WeakPolarHBondContact O-CB 3.32Å; M227-Y231 PolarHBondContact O-N 3.41Å; R228-Y231 PolarHBondContact O-N 2.78Å; Y231-L234 PolarHBondContact O-N 2.99Å; Y231-A235 WeakPolarHBondContact O-CB 3.46Å; Y231-A235 PolarHBondContact O-N 3Å; Y231-W518 HydrophobicContact CD1-CH2 4.47Å; Y231-W518 AromaticContact CE1-CH2 3.91Å; Y231-W518 HydrophobicContact CE1-CH2 3.91Å; Y231-W518 AromaticContact CE1-CZ3 3.91Å; Y231-W518 HydrophobicContact CE1-CZ3 3.91Å; Y231-R519 VanDerWaalsContact OH-CD 3.26Å; Y231-R519 WeakPolarHBondContact OH-CD 3.34Å; Y231-R519 WeakPolarHBondContact OH-CG 3.29Å; Y231-V522 HydrophobicContact CE1-CG1 4.37Å; Y231-F557 HydrophobicContact CD1-CE1 4.33Å; Y231-F557 AromaticContact CD1-CZ 3.61Å; Y231-F557 HydrophobicContact CD1-CZ 3.61Å; Y231-F557 HydrophobicContact CD2-CE1 4.35Å; Y231-F557 HydrophobicContact CD2-CZ 4.3Å; Y231-F557 HydrophobicContact CE1-CZ 4.28Å; Y231-F557 AromaticContact CG-CE1 3.87Å; Y231-F557 HydrophobicContact CG-CE1 3.87Å; Y231-F557 AromaticContact CG-CZ 3.63Å; Y231-F557 HydrophobicContact CG-CZ 3.63Å; Y231-I565 HydrophobicContact CD2-CG2 4.42Å; Y231-I565 HydrophobicContact CE2-CG2 3.57Å
232	L	95.7	Very high	95.1	Very high	60 Å²	60	30.7 Å²	30.7	31%	0.314	18%	0.178	S	C	.	.	H	α-helix	trans	-65.6	-39.1	175.8	-69.4	177.3	0	0	0	112	R228 P229 E230 A235 S236 L532	R228-L232 HydrophobicContact CG-CD1 4.38Å; R228-L232 WeakPolarHBondContact O-CG 3.47Å; R228-L232 PolarHBondContact O-N 2.93Å; R228-L232 VanDerWaalsContact O-N 3.12Å; P229-L232 PolarHBondContact O-N 2.86Å; E230-L232 PolarHBondContact O-N 3.16Å; L232-A235 PolarHBondContact O-N 2.82Å; L232-S236 PolarHBondContact O-N 3.34Å; L232-L532 HydrophobicContact CD2-CD1 3.75Å
233	A	96.5	Very high	95.1	Very high	35 Å²	35	36.4 Å²	36.4	29%	0.289	19%	0.193	S	C	.	.	H	α-helix	trans	-62.5	-44.1	173.2	0	0	0	0	0	111.2	I169 P229 E230 A235 S236 V237	I169-A233 HydrophobicContact CD1-CB 3.78Å; I169-A233 HydrophobicContact CG1-CB 4.22Å; P229-A233 WeakPolarHBondContact O-CB 3.27Å; P229-A233 PolarHBondContact O-N 3.27Å; E230-A233 PolarHBondContact O-N 3.25Å; A233-A235 PolarHBondContact O-N 2.97Å; A233-S236 WeakPolarHBondContact O-CB 3.28Å; A233-S236 PolarHBondContact O-N 3.27Å; A233-V237 WeakPolarHBondContact O-CG2 3.3Å; A233-V237 PolarHBondContact O-N 3.32Å; A233-V237 VanDerWaalsContact O-N 3.11Å
234	L	94.8	Very high	95	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-60.8	-46.1	175.8	-176.6	62	0	0	0	111.3	M166 I169 Q170 M173 E230 Y231 S236 V237 L238 N568	M166-L234 HydrophobicContact CG-CD1 4.24Å; I169-L234 HydrophobicContact CG2-CB 3.82Å; I169-L234 HydrophobicContact CG2-CD1 4.49Å; Q170-L234 HydrophobicContact CG-CD1 4.27Å; M173-L234 HydrophobicContact CE-CD2 4.02Å; M173-L234 HydrophobicContact SD-CB 4.06Å; M173-L234 HydrophobicContact SD-CD2 3.7Å; M173-L234 HydrophobicContact SD-CG 4.46Å; E230-L234 WeakPolarHBondContact O-CB 3.45Å; E230-L234 PolarHBondContact O-N 3.45Å; Y231-L234 PolarHBondContact O-N 2.99Å; L234-S236 VanDerWaalsContact C-N 3.28Å; L234-S236 PolarHBondContact O-N 3.01Å; L234-V237 PolarHBondContact O-N 3.2Å; L234-L238 HydrophobicContact CD1-CD1 4.31Å; L234-L238 HydrophobicContact CD1-CG 4.25Å; L234-L238 HydrophobicContact CD2-CD1 4.41Å; L234-L238 HydrophobicContact CG-CD1 3.86Å; L234-L238 HydrophobicContact CG-CG 4.26Å; L234-L238 WeakPolarHBondContact O-CB 3.08Å; L234-L238 VanDerWaalsContact O-CG 3.28Å; L234-L238 WeakPolarHBondContact O-CG 3.46Å; L234-L238 PolarHBondContact O-N 3.36Å; L234-N568 HydrophobicContact CD2-CB 4.4Å
235	A	94.6	Very high	94.5	Very high	6 Å²	6	41.2 Å²	41.2	5%	0.05	22%	0.219	C	C	.	.	H	α-helix	trans	-58.7	-39.9	178	0	0	0	0	0	112.2	Y231 L232 A233 L238 N239 V522 Y523	Y231-A235 WeakPolarHBondContact O-CB 3.46Å; Y231-A235 PolarHBondContact O-N 3Å; L232-A235 PolarHBondContact O-N 2.82Å; A233-A235 PolarHBondContact O-N 2.97Å; A235-L238 PolarHBondContact O-N 3.44Å; A235-N239 WeakPolarHBondContact O-CB 3.36Å; A235-N239 PolarHBondContact O-N 2.74Å; A235-V522 HydrophobicContact CB-CG1 4.24Å; A235-Y523 HydrophobicContact CB-CD1 4.01Å; A235-Y523 HydrophobicContact CB-CE1 3.79Å
236	S	96	Very high	94	Very high	79 Å²	79	41.9 Å²	41.9	55%	0.552	24%	0.235	S	C	*	.	H	α-helix	trans	-61.7	-47	175.3	-171.5	0	0	0	0	112.2	L232 A233 L234 L238 N239 E240	L232-S236 PolarHBondContact O-N 3.34Å; A233-S236 WeakPolarHBondContact O-CB 3.28Å; A233-S236 PolarHBondContact O-N 3.27Å; L234-S236 VanDerWaalsContact C-N 3.28Å; L234-S236 PolarHBondContact O-N 3.01Å; S236-L238 PolarHBondContact O-N 3.1Å; S236-N239 WeakPolarHBondContact O-CB 3.42Å; S236-N239 PolarHBondContact O-N 2.82Å; S236-E240 PolarHBondContact O-N 3.12Å
237	V	95.6	Very high	93.7	Very high	8 Å²	8	37.8 Å²	37.8	5%	0.048	22%	0.215	C	C	.	.	H	α-helix	trans	-65.7	-38.9	177.8	177.2	0	0	0	0	111.3	L158 M166 I169 A233 L234 N239 E240 V241	L158-V237 HydrophobicContact CD1-CG1 3.91Å; L158-V237 HydrophobicContact CD2-CG1 4.38Å; M166-V237 HydrophobicContact CB-CG1 3.88Å; M166-V237 HydrophobicContact CG-CG1 3.88Å; M166-V237 HydrophobicContact SD-CG1 4.11Å; I169-V237 HydrophobicContact CD1-CG2 4.04Å; A233-V237 WeakPolarHBondContact O-CG2 3.3Å; A233-V237 PolarHBondContact O-N 3.32Å; A233-V237 VanDerWaalsContact O-N 3.11Å; L234-V237 PolarHBondContact O-N 3.2Å; V237-N239 VanDerWaalsContact C-N 3.32Å; V237-N239 PolarHBondContact O-N 3.11Å; V237-E240 WeakPolarHBondContact O-CA 3.27Å; V237-E240 VanDerWaalsContact O-CB 3.3Å; V237-E240 WeakPolarHBondContact O-CB 3.29Å; V237-E240 PolarHBondContact O-N 2.91Å; V237-E240 VanDerWaalsContact O-N 3.1Å; V237-V241 WeakPolarHBondContact O-CG2 3.43Å; V237-V241 PolarHBondContact O-N 2.89Å
238	L	93.6	Very high	93.7	Very high	16 Å²	16	41.6 Å²	41.6	8%	0.084	24%	0.242	C	C	.	.	H	α-helix	trans	-65.4	-34.9	175.7	-69.4	171.3	0	0	0	112.4	L234 A235 S236 E240 V241 A242 Y523 N568	L234-L238 HydrophobicContact CD1-CD1 4.31Å; L234-L238 HydrophobicContact CD1-CG 4.25Å; L234-L238 HydrophobicContact CD2-CD1 4.41Å; L234-L238 HydrophobicContact CG-CD1 3.86Å; L234-L238 HydrophobicContact CG-CG 4.26Å; L234-L238 WeakPolarHBondContact O-CB 3.08Å; L234-L238 VanDerWaalsContact O-CG 3.28Å; L234-L238 WeakPolarHBondContact O-CG 3.46Å; L234-L238 PolarHBondContact O-N 3.36Å; A235-L238 PolarHBondContact O-N 3.44Å; S236-L238 PolarHBondContact O-N 3.1Å; L238-E240 VanDerWaalsContact C-N 3.32Å; L238-V241 WeakPolarHBondContact O-CB 3.39Å; L238-V241 PolarHBondContact O-N 3.14Å; L238-A242 WeakPolarHBondContact O-CB 3.26Å; L238-A242 PolarHBondContact O-N 3.48Å; L238-Y523 HydrophobicContact CD1-CE1 4.18Å; L238-N568 WeakPolarHBondContact CD1-ND2 3.4Å
239	N	95.7	Very high	93.6	Very high	34 Å²	34	40.8 Å²	40.8	18%	0.182	24%	0.24	C	C	.	.	H	α-helix	trans	-67.3	-33	171.1	-76.9	-7.1	0	0	0	112.1	A235 S236 V237 A242 R243 H249 G250 Y523	A235-N239 WeakPolarHBondContact O-CB 3.36Å; A235-N239 PolarHBondContact O-N 2.74Å; S236-N239 WeakPolarHBondContact O-CB 3.42Å; S236-N239 PolarHBondContact O-N 2.82Å; V237-N239 VanDerWaalsContact C-N 3.32Å; V237-N239 PolarHBondContact O-N 3.11Å; N239-A242 PolarHBondContact O-N 3.32Å; N239-R243 WeakPolarHBondContact O-CG 3.47Å; N239-R243 PolarHBondContact O-N 2.97Å; N239-R243 VanDerWaalsContact O-N 3.08Å; N239-R243 PolarHBondContact O-NE 3.19Å; N239-H249 WeakPolarHBondContact OD1-CA 3.16Å; N239-H249 WeakPolarHBondContact OD1-CB 3.38Å; N239-G250 PolarHBondContact OD1-N 3.37Å; N239-Y523 PolarHBondContact ND2-O 3.49Å; N239-Y523 PolarHBondContact OD1-O 2.98Å
240	E	95.7	Very high	93.3	Very high	49 Å²	49	37.4 Å²	37.4	23%	0.229	22%	0.218	C	C	.	.	H	α-helix	trans	-63.6	-48.2	169.5	-172.3	-172.5	159.2	0	0	111.8	L158 S162 S236 V237 L238 A242 R243 L244	L158-E240 HydrophobicContact CD2-CB 4.27Å; L158-E240 HydrophobicContact CD2-CG 3.91Å; S162-E240 PolarHBondContact OG-OE1 3.08Å; S236-E240 PolarHBondContact O-N 3.12Å; V237-E240 WeakPolarHBondContact O-CA 3.27Å; V237-E240 VanDerWaalsContact O-CB 3.3Å; V237-E240 WeakPolarHBondContact O-CB 3.29Å; V237-E240 PolarHBondContact O-N 2.91Å; V237-E240 VanDerWaalsContact O-N 3.1Å; L238-E240 VanDerWaalsContact C-N 3.32Å; E240-A242 VanDerWaalsContact C-N 3.26Å; E240-A242 PolarHBondContact O-N 3.39Å; E240-R243 VanDerWaalsContact CA-NH2 3.33Å; E240-R243 PolarHBondContact O-N 3.31Å; E240-L244 HydrophobicContact CG-CD1 3.98Å; E240-L244 HydrophobicContact CG-CG 4.45Å; E240-L244 VanDerWaalsContact O-CG 3.3Å; E240-L244 WeakPolarHBondContact O-CG 3.31Å; E240-L244 PolarHBondContact O-N 3.34Å
241	V	91.6	Very high	93	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.024	21%	0.21	C	C	.	.	H	α-helix	trans	-54.1	-46.2	174.4	174.4	0	0	0	0	110.7	I155 L158 V237 L238 L244 N245 I253	I155-V241 HydrophobicContact CG2-CG1 4.26Å; I155-V241 HydrophobicContact CG2-CG2 4.35Å; L158-V241 HydrophobicContact CD1-CG2 3.64Å; L158-V241 HydrophobicContact CD2-CG2 3.81Å; L158-V241 HydrophobicContact CG-CG2 3.71Å; V237-V241 WeakPolarHBondContact O-CG2 3.43Å; V237-V241 PolarHBondContact O-N 2.89Å; L238-V241 WeakPolarHBondContact O-CB 3.39Å; L238-V241 PolarHBondContact O-N 3.14Å; V241-L244 PolarHBondContact O-N 2.93Å; V241-N245 PolarHBondContact O-N 3.23Å; V241-N245 VanDerWaalsContact O-N 3.12Å; V241-N245 PolarHBondContact O-ND2 3.11Å; V241-I253 HydrophobicContact CG1-CD1 4Å
242	A	91.8	Very high	92.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.2	-52.9	178.9	0	0	0	0	0	111.8	L238 N239 E240 L244 N245 G246 F247 H249 I253	L238-A242 WeakPolarHBondContact O-CB 3.26Å; L238-A242 PolarHBondContact O-N 3.48Å; N239-A242 PolarHBondContact O-N 3.32Å; E240-A242 VanDerWaalsContact C-N 3.26Å; E240-A242 PolarHBondContact O-N 3.39Å; A242-L244 VanDerWaalsContact C-N 3.32Å; A242-L244 PolarHBondContact O-N 2.94Å; A242-N245 CarbonylContact O-C 3.52Å; A242-N245 WeakPolarHBondContact O-CA 3.32Å; A242-N245 PolarHBondContact O-N 3.08Å; A242-G246 PolarHBondContact O-N 3.34Å; A242-G246 VanDerWaalsContact O-N 3.14Å; A242-F247 CarbonylContact C-O 3.59Å; A242-F247 VanDerWaalsContact C-O 3.27Å; A242-F247 HydrophobicContact CB-CB 3.96Å; A242-F247 WeakPolarHBondContact O-CB 3.48Å; A242-F247 PolarHBondContact O-N 3.48Å; A242-H249 VanDerWaalsContact CB-O 3.3Å; A242-H249 WeakPolarHBondContact CB-O 3.43Å; A242-I253 HydrophobicContact CB-CD1 4Å; A242-I253 HydrophobicContact CB-CG1 4.21Å
243	R	94.4	Very high	92.4	Very high	147 Å²	147	37.2 Å²	37.2	56%	0.555	22%	0.217	S	C	*	.	H	α-helix	trans	-58.4	-41.9	178.9	-72.4	-176.9	-68.1	95.9	-5.2	112.7	N239 E240 N245 G246 F247	N239-R243 WeakPolarHBondContact O-CG 3.47Å; N239-R243 PolarHBondContact O-N 2.97Å; N239-R243 VanDerWaalsContact O-N 3.08Å; N239-R243 PolarHBondContact O-NE 3.19Å; E240-R243 VanDerWaalsContact CA-NH2 3.33Å; E240-R243 PolarHBondContact O-N 3.31Å; R243-N245 PolarHBondContact O-N 3.43Å; R243-G246 PolarHBondContact O-N 3.02Å; R243-F247 WeakPolarHBondContact CA-O 3.48Å; R243-F247 PolarHBondContact N-O 3.25Å
244	L	89.1	Confident	92	Very high	85 Å²	85	36.9 Å²	36.9	45%	0.445	21%	0.208	S	C	.	.	H	α-helix	trans	-64.9	-25.8	177.1	-68.7	170.3	0	0	0	112.8	A157 L158 E240 V241 A242	A157-L244 HydrophobicContact CB-CB 3.77Å; A157-L244 HydrophobicContact CB-CD1 4.13Å; L158-L244 HydrophobicContact CD2-CD1 3.96Å; E240-L244 HydrophobicContact CG-CD1 3.98Å; E240-L244 HydrophobicContact CG-CG 4.45Å; E240-L244 VanDerWaalsContact O-CG 3.3Å; E240-L244 WeakPolarHBondContact O-CG 3.31Å; E240-L244 PolarHBondContact O-N 3.34Å; V241-L244 PolarHBondContact O-N 2.93Å; A242-L244 VanDerWaalsContact C-N 3.32Å; A242-L244 PolarHBondContact O-N 2.94Å
245	N	85.1	Confident	91.8	Very high	16 Å²	16	38.3 Å²	38.3	9%	0.086	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	7.4	178	-74	-85.4	0	0	0	114	K152 E153 G154 V241 A242 R243 F247	K152-N245 PolarHBondContact NZ-O 2.98Å; E153-N245 PolarHBondContact N-OD1 2.77Å; G154-N245 PolarHBondContact N-OD1 2.82Å; G154-N245 PolarHBondContact O-ND2 2.97Å; V241-N245 PolarHBondContact O-N 3.23Å; V241-N245 VanDerWaalsContact O-N 3.12Å; V241-N245 PolarHBondContact O-ND2 3.11Å; A242-N245 CarbonylContact O-C 3.52Å; A242-N245 WeakPolarHBondContact O-CA 3.32Å; A242-N245 PolarHBondContact O-N 3.08Å; R243-N245 PolarHBondContact O-N 3.43Å; N245-F247 HydrophobicContact CB-CD2 3.97Å; N245-F247 HydrophobicContact CB-CE2 4.16Å
246	G	86.9	Confident	91.5	Very high	67 Å²	67	40.1 Å²	40.1	69%	0.691	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.5	21.7	176.5	0	0	0	0	0	115	A242 R243	A242-G246 PolarHBondContact O-N 3.34Å; A242-G246 VanDerWaalsContact O-N 3.14Å; R243-G246 PolarHBondContact O-N 3.02Å
247	F	90.6	Very high	91.1	Very high	37 Å²	37	39.2 Å²	39.2	16%	0.162	22%	0.219	C	C	.	.			trans	-112.2	158.1	177.1	-61.2	-69	0	0	0	111.3	A242 R243 N245 E252 I253	A242-F247 CarbonylContact C-O 3.59Å; A242-F247 VanDerWaalsContact C-O 3.27Å; A242-F247 HydrophobicContact CB-CB 3.96Å; A242-F247 WeakPolarHBondContact O-CB 3.48Å; A242-F247 PolarHBondContact O-N 3.48Å; R243-F247 WeakPolarHBondContact CA-O 3.48Å; R243-F247 PolarHBondContact N-O 3.25Å; N245-F247 HydrophobicContact CB-CD2 3.97Å; N245-F247 HydrophobicContact CB-CE2 4.16Å; F247-E252 VanDerWaalsContact CA-OE2 3.32Å; F247-E252 WeakPolarHBondContact CA-OE2 3.3Å; F247-E252 HydrophobicContact CB-CB 3.95Å; F247-E252 WeakPolarHBondContact CB-OE2 3.3Å; F247-E252 HydrophobicContact CD1-CB 3.87Å; F247-E252 HydrophobicContact CG-CB 4.15Å; F247-I253 HydrophobicContact CD2-CG1 4Å; F247-I253 HydrophobicContact CE2-CG1 4.43Å
248	S	94	Very high	90.9	Very high	80 Å²	80	39.1 Å²	39.1	56%	0.559	22%	0.217	S	C	*	.	S	Bend	trans	-73.5	-41.6	-179.5	-43.7	0	0	0	0	112.2	E252	S248-E252 WeakPolarHBondContact CB-OE1 3.48Å; S248-E252 PolarHBondContact N-OE2 3.44Å; S248-E252 PolarHBondContact OG-OE1 3.4Å
249	H	94.5	Very high	90.5	Very high	18 Å²	18	39.9 Å²	39.9	8%	0.083	23%	0.229	C	C	.	.	S	Bend	trans	-156.9	169.4	-175.2	59.5	65.2	0	0	0	112.6	N239 A242 G251 E252 W520 Y523	N239-H249 WeakPolarHBondContact OD1-CA 3.16Å; N239-H249 WeakPolarHBondContact OD1-CB 3.38Å; A242-H249 VanDerWaalsContact CB-O 3.3Å; A242-H249 WeakPolarHBondContact CB-O 3.43Å; H249-G251 VanDerWaalsContact C-N 3.27Å; H249-G251 PolarHBondContact ND1-N 2.98Å; H249-G251 PolarHBondContact O-N 3.13Å; H249-G251 VanDerWaalsContact O-N 3.16Å; H249-E252 PolarHBondContact O-N 3.17Å; H249-W520 AromaticContact CE1-CD2 3.98Å; H249-W520 AromaticContact CE1-CE2 3.62Å; H249-W520 AromaticContact CE1-CH2 3.87Å; H249-W520 AromaticContact CE1-CZ2 3.57Å; H249-W520 AromaticContact NE2-CE2 3.98Å; H249-W520 AromaticContact NE2-CZ2 3.89Å; H249-Y523 VanDerWaalsContact CB-O 3.31Å; H249-Y523 WeakPolarHBondContact CB-O 3.19Å
250	G	89.7	Confident	89.6	Confident	4 Å²	4	45 Å²	45	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-55.4	-35.6	-173.9	0	0	0	0	0	114.6	N239 E252 I253	N239-G250 PolarHBondContact OD1-N 3.37Å; G250-E252 VanDerWaalsContact C-N 3.3Å; G250-E252 PolarHBondContact O-N 3.44Å; G250-I253 WeakPolarHBondContact O-CB 3.3Å; G250-I253 PolarHBondContact O-N 3.47Å
251	G	90.6	Very high	89	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.7	-34.5	176.4	0	0	0	0	0	114.8	H249 I253 W254 Q255 W520	H249-G251 VanDerWaalsContact C-N 3.27Å; H249-G251 PolarHBondContact ND1-N 2.98Å; H249-G251 PolarHBondContact O-N 3.13Å; H249-G251 VanDerWaalsContact O-N 3.16Å; G251-I253 PolarHBondContact O-N 2.92Å; G251-W254 WeakPolarHBondContact O-CB 3.46Å; G251-W254 PolarHBondContact O-N 2.78Å; G251-W254 VanDerWaalsContact O-N 3.12Å; G251-Q255 PolarHBondContact O-N 2.9Å; G251-W520 VanDerWaalsContact C-CZ3 3.46Å; G251-W520 WeakPolarHBondContact O-CZ3 3.49Å
252	E	92	Very high	88.9	Confident	42 Å²	42	52.7 Å²	52.7	20%	0.196	29%	0.288	C	S	.	.	H	α-helix	trans	-68.6	-24.4	179.7	-72.5	-177.3	-167.8	0	0	112.4	F247 S248 H249 G250 W254 Q255 S256 W520	F247-E252 VanDerWaalsContact CA-OE2 3.32Å; F247-E252 WeakPolarHBondContact CA-OE2 3.3Å; F247-E252 HydrophobicContact CB-CB 3.95Å; F247-E252 WeakPolarHBondContact CB-OE2 3.3Å; F247-E252 HydrophobicContact CD1-CB 3.87Å; F247-E252 HydrophobicContact CG-CB 4.15Å; S248-E252 WeakPolarHBondContact CB-OE1 3.48Å; S248-E252 PolarHBondContact N-OE2 3.44Å; S248-E252 PolarHBondContact OG-OE1 3.4Å; H249-E252 PolarHBondContact O-N 3.17Å; G250-E252 VanDerWaalsContact C-N 3.3Å; G250-E252 PolarHBondContact O-N 3.44Å; E252-W254 VanDerWaalsContact C-N 3.29Å; E252-W254 PolarHBondContact O-N 2.97Å; E252-Q255 PolarHBondContact O-N 2.73Å; E252-S256 PolarHBondContact O-N 2.87Å; E252-W520 HydrophobicContact CG-CH2 4.16Å
253	I	88.1	Confident	89	Confident	51 Å²	51	56.4 Å²	56.4	26%	0.262	31%	0.309	S	S	.	.	H	α-helix	trans	-61.5	-42.5	172.9	-59.9	174.2	0	0	0	109.5	V241 A242 F247 G250 G251 S256	V241-I253 HydrophobicContact CG1-CD1 4Å; A242-I253 HydrophobicContact CB-CD1 4Å; A242-I253 HydrophobicContact CB-CG1 4.21Å; F247-I253 HydrophobicContact CD2-CG1 4Å; F247-I253 HydrophobicContact CE2-CG1 4.43Å; G250-I253 WeakPolarHBondContact O-CB 3.3Å; G250-I253 PolarHBondContact O-N 3.47Å; G251-I253 PolarHBondContact O-N 2.92Å; I253-S256 PolarHBondContact O-N 3.23Å; I253-S256 PolarHBondContact O-OG 3.17Å
254	W	87.3	Confident	88.9	Confident	27 Å²	27	49.5 Å²	49.5	10%	0.102	28%	0.282	C	S	.	.	H	α-helix	trans	-68.3	-42.5	176.6	-61.6	-18.7	0	0	0	111.9	G251 E252 S256 T257 L264 R519 Y523 N568 P570	G251-W254 WeakPolarHBondContact O-CB 3.46Å; G251-W254 PolarHBondContact O-N 2.78Å; G251-W254 VanDerWaalsContact O-N 3.12Å; E252-W254 VanDerWaalsContact C-N 3.29Å; E252-W254 PolarHBondContact O-N 2.97Å; W254-S256 PolarHBondContact O-N 2.96Å; W254-T257 WeakPolarHBondContact O-CB 3.48Å; W254-T257 PolarHBondContact O-N 2.98Å; W254-T257 VanDerWaalsContact O-N 3.13Å; W254-T257 PolarHBondContact O-OG1 3.18Å; W254-L264 HydrophobicContact CB-CD2 4.31Å; W254-R519 HydrophobicContact CH2-CB 4.37Å; W254-R519 VanDerWaalsContact CH2-CZ 3.48Å; W254-R519 HydrophobicContact CZ3-CB 4.12Å; W254-Y523 AromaticContact CH2-CE2 3.73Å; W254-Y523 HydrophobicContact CH2-CE2 3.73Å; W254-Y523 HydrophobicContact CZ2-CE2 4.25Å; W254-Y523 AromaticContact CZ3-CE2 3.92Å; W254-Y523 HydrophobicContact CZ3-CE2 3.92Å; W254-N568 WeakPolarHBondContact CZ2-OD1 3.45Å; W254-P570 HydrophobicContact CD2-CB 3.97Å; W254-P570 HydrophobicContact CE3-CB 4.24Å; W254-P570 HydrophobicContact CG-CB 4.26Å; W254-P570 HydrophobicContact CZ2-CB 4.44Å
255	Q	91.7	Very high	89.2	Confident	34 Å²	34	46.2 Å²	46.2	16%	0.159	27%	0.265	C	S	.	.	H	α-helix	trans	-56.7	-39.2	174.8	-179.2	168	-67	0	0	112.1	G251 E252 T257 Y258 T262 L264 W520	G251-Q255 PolarHBondContact O-N 2.9Å; E252-Q255 PolarHBondContact O-N 2.73Å; Q255-T257 PolarHBondContact O-N 2.88Å; Q255-Y258 PolarHBondContact O-N 3.36Å; Q255-T262 WeakPolarHBondContact CG-O 3.48Å; Q255-T262 PolarHBondContact NE2-O 3.16Å; Q255-T262 PolarHBondContact OE1-O 3.49Å; Q255-L264 HydrophobicContact CB-CB 4.04Å; Q255-L264 HydrophobicContact CB-CD2 4.42Å; Q255-L264 HydrophobicContact CG-CB 3.97Å; Q255-W520 HydrophobicContact CB-CH2 4.38Å; Q255-W520 HydrophobicContact CB-CZ3 4.16Å
256	S	88.2	Confident	89.7	Confident	44 Å²	44	51.7 Å²	51.7	31%	0.308	29%	0.29	S	S	.	.	H	α-helix	trans	-58.3	-22.9	-179.8	80.8	0	0	0	0	113.9	E252 I253 W254 Y258 G259	E252-S256 PolarHBondContact O-N 2.87Å; I253-S256 PolarHBondContact O-N 3.23Å; I253-S256 PolarHBondContact O-OG 3.17Å; W254-S256 PolarHBondContact O-N 2.96Å; S256-Y258 PolarHBondContact O-N 3.3Å; S256-G259 PolarHBondContact O-N 3.35Å; S256-G259 VanDerWaalsContact O-N 3.15Å
257	T	87.1	Confident	90.2	Very high	61 Å²	61	50 Å²	50	37%	0.374	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-17.9	175.4	69.7	0	0	0	0	113.6	W254 Q255 N457	W254-T257 WeakPolarHBondContact O-CB 3.48Å; W254-T257 PolarHBondContact O-N 2.98Å; W254-T257 VanDerWaalsContact O-N 3.13Å; W254-T257 PolarHBondContact O-OG1 3.18Å; Q255-T257 PolarHBondContact O-N 2.88Å; T257-N457 WeakPolarHBondContact O-CB 3.22Å
258	Y	91	Very high	90.4	Very high	5 Å²	5	48.3 Å²	48.3	2%	0.02	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-2.3	173.8	-59.9	-87.5	0	0	0	112.7	Q255 S256 T262 L264 A459 N572 V576 W625	Q255-Y258 PolarHBondContact O-N 3.36Å; S256-Y258 PolarHBondContact O-N 3.3Å; Y258-T262 PolarHBondContact O-OG1 3.09Å; Y258-L264 HydrophobicContact CD2-CD1 3.68Å; Y258-L264 HydrophobicContact CD2-CD2 4.46Å; Y258-L264 HydrophobicContact CE2-CD1 3.66Å; Y258-L264 HydrophobicContact CE2-CD2 4.39Å; Y258-L264 HydrophobicContact CG-CD1 4.37Å; Y258-A459 HydrophobicContact CE1-CB 4.23Å; Y258-N572 HydrophobicContact CE2-CB 4.49Å; Y258-N572 VanDerWaalsContact CE2-OD1 3.25Å; Y258-N572 WeakPolarHBondContact CE2-OD1 3.43Å; Y258-N572 PolarHBondContact OH-O 3.17Å; Y258-N572 PolarHBondContact OH-OD1 3.5Å; Y258-V576 HydrophobicContact CE1-CB 4.3Å; Y258-V576 HydrophobicContact CE1-CG1 4.02Å; Y258-V576 HydrophobicContact CE1-CG2 4.14Å; Y258-W625 VanDerWaalsContact O-CD1 3.24Å; Y258-W625 PolarHBondContact O-NE1 3.16Å
259	G	85.8	Confident	90.6	Very high	32 Å²	32	47.5 Å²	47.5	33%	0.33	25%	0.245	S	C	.	.			trans	108.2	149.9	-179.7	0	0	0	0	0	113	S256 E261 T262	S256-G259 PolarHBondContact O-N 3.35Å; S256-G259 VanDerWaalsContact O-N 3.15Å; G259-E261 VanDerWaalsContact C-N 3.26Å; G259-E261 PolarHBondContact O-N 2.92Å; G259-T262 WeakPolarHBondContact O-CB 3.18Å; G259-T262 PolarHBondContact O-N 3.38Å; G259-T262 VanDerWaalsContact O-N 3.07Å
260	E	76.5	Confident	90.7	Very high	142 Å²	142	51 Å²	51	66%	0.664	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-31	-172.7	-65.8	178.1	168.7	0	0	113.5
261	E	82.2	Confident	91	Very high	199 Å²	199	51 Å²	51	93%	0.93	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-1.2	-179.9	-61.2	-177.5	171.5	0	0	113.7	G259	G259-E261 VanDerWaalsContact C-N 3.26Å; G259-E261 PolarHBondContact O-N 2.92Å
262	T	89.6	Confident	91.3	Very high	15 Å²	15	51.2 Å²	51.2	9%	0.092	26%	0.26	C	S	.	.			trans	-80.8	127.6	-178.1	-64	0	0	0	0	110.5	Q255 Y258 G259 L264 M267	Q255-T262 WeakPolarHBondContact CG-O 3.48Å; Q255-T262 PolarHBondContact NE2-O 3.16Å; Q255-T262 PolarHBondContact OE1-O 3.49Å; Y258-T262 PolarHBondContact O-OG1 3.09Å; G259-T262 WeakPolarHBondContact O-CB 3.18Å; G259-T262 PolarHBondContact O-N 3.38Å; G259-T262 VanDerWaalsContact O-N 3.07Å; T262-L264 PolarHBondContact O-N 3.23Å; T262-M267 HydrophobicContact CG2-CE 3.43Å; T262-M267 VanDerWaalsContact CG2-CE 3.43Å
263	D	93.9	Very high	91.6	Very high	79 Å²	79	54 Å²	54	42%	0.422	28%	0.276	S	S	.	.			trans	-85.3	101.6	160.6	-173.9	-28.3	0	0	0	109.1	M265 Q266 M267	D263-M265 VanDerWaalsContact C-N 3.35Å; D263-M265 PolarHBondContact OD1-N 2.86Å; D263-Q266 HydrophobicContact CB-CB 3.93Å; D263-Q266 VanDerWaalsContact CG-CB 3.43Å; D263-Q266 PolarHBondContact OD1-N 2.03Å; D263-M267 WeakPolarHBondContact O-CB 3.44Å; D263-M267 PolarHBondContact O-N 2.89Å
264	L	94.1	Very high	92	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-67.7	-37.2	-176.6	179.9	60.7	0	0	0	111.6	W254 Q255 Y258 T262 M267 L268 N572	W254-L264 HydrophobicContact CB-CD2 4.31Å; Q255-L264 HydrophobicContact CB-CB 4.04Å; Q255-L264 HydrophobicContact CB-CD2 4.42Å; Q255-L264 HydrophobicContact CG-CB 3.97Å; Y258-L264 HydrophobicContact CD2-CD1 3.68Å; Y258-L264 HydrophobicContact CD2-CD2 4.46Å; Y258-L264 HydrophobicContact CE2-CD1 3.66Å; Y258-L264 HydrophobicContact CE2-CD2 4.39Å; Y258-L264 HydrophobicContact CG-CD1 4.37Å; T262-L264 PolarHBondContact O-N 3.23Å; L264-M267 PolarHBondContact O-N 3.12Å; L264-L268 HydrophobicContact CD1-CD1 4.46Å; L264-L268 HydrophobicContact CD1-CG 4.27Å; L264-L268 HydrophobicContact CG-CD1 4.29Å; L264-L268 HydrophobicContact CG-CG 4.5Å; L264-L268 VanDerWaalsContact O-CG 3.29Å; L264-L268 WeakPolarHBondContact O-CG 3.38Å; L264-L268 PolarHBondContact O-N 3.07Å; L264-N572 HydrophobicContact CD1-CB 4.13Å; L264-N572 HydrophobicContact CD2-CB 4.37Å
265	M	95.1	Very high	92.4	Very high	17 Å²	17	53.4 Å²	53.4	8%	0.084	27%	0.273	C	S	.	.	H	α-helix	trans	-70.6	-42.5	-177	-65.1	-58.3	97.2	0	0	110.7	D263 M267 L268 E269 K517 W520	D263-M265 VanDerWaalsContact C-N 3.35Å; D263-M265 PolarHBondContact OD1-N 2.86Å; M265-M267 VanDerWaalsContact C-N 3.34Å; M265-M267 PolarHBondContact O-N 2.97Å; M265-L268 HydrophobicContact CE-CD1 3.77Å; M265-L268 PolarHBondContact O-N 3.25Å; M265-E269 WeakPolarHBondContact O-CG 3.5Å; M265-E269 PolarHBondContact O-N 3.24Å; M265-K517 HydrophobicContact SD-CB 4.47Å; M265-K517 HydrophobicContact SD-CG 3.89Å; M265-W520 HydrophobicContact CE-CB 4.47Å; M265-W520 HydrophobicContact CE-CD2 4.26Å; M265-W520 HydrophobicContact CE-CE3 3.75Å; M265-W520 HydrophobicContact CE-CZ3 4.38Å; M265-W520 HydrophobicContact CG-CB 4.26Å; M265-W520 HydrophobicContact CG-CD2 3.56Å; M265-W520 HydrophobicContact CG-CE3 3.9Å; M265-W520 HydrophobicContact CG-CG 3.71Å; M265-W520 HydrophobicContact CG-CZ3 4.49Å; M265-W520 HydrophobicContact SD-CB 3.6Å; M265-W520 HydrophobicContact SD-CD2 3.92Å; M265-W520 HydrophobicContact SD-CE3 4.04Å; M265-W520 HydrophobicContact SD-CG 3.74Å
266	Q	95.9	Very high	92.6	Very high	130 Å²	130	56.7 Å²	56.7	61%	0.607	28%	0.284	S	S	*	.	H	α-helix	trans	-63.6	-39.7	173.7	-173.5	177.2	55.5	0	0	111.8	D263 L268 E269 K270	D263-Q266 HydrophobicContact CB-CB 3.93Å; D263-Q266 VanDerWaalsContact CG-CB 3.43Å; D263-Q266 PolarHBondContact OD1-N 2.03Å; Q266-L268 PolarHBondContact O-N 2.8Å; Q266-E269 PolarHBondContact O-N 2.91Å; Q266-K270 WeakPolarHBondContact O-CB 3.46Å; Q266-K270 PolarHBondContact O-N 3.15Å
267	M	95.7	Very high	93.1	Very high	33 Å²	33	58.8 Å²	58.8	16%	0.163	30%	0.297	C	S	.	.	H	α-helix	trans	-60.1	-45.5	175	-177.5	-175.5	-66.9	0	0	111.7	T262 D263 L264 M265 K270 L271 W625 L638	T262-M267 HydrophobicContact CG2-CE 3.43Å; T262-M267 VanDerWaalsContact CG2-CE 3.43Å; D263-M267 WeakPolarHBondContact O-CB 3.44Å; D263-M267 PolarHBondContact O-N 2.89Å; L264-M267 PolarHBondContact O-N 3.12Å; M265-M267 VanDerWaalsContact C-N 3.34Å; M265-M267 PolarHBondContact O-N 2.97Å; M267-K270 PolarHBondContact O-N 2.85Å; M267-L271 WeakPolarHBondContact O-CG 3.41Å; M267-L271 PolarHBondContact O-N 2.96Å; M267-L271 VanDerWaalsContact O-N 3.11Å; M267-W625 HydrophobicContact CE-CH2 4.3Å; M267-W625 HydrophobicContact CE-CZ2 3.78Å; M267-L638 HydrophobicContact CG-CD2 4.1Å; M267-L638 HydrophobicContact SD-CD2 4.07Å
268	L	96.6	Very high	93.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.4	-37.8	177.8	-70.7	178.6	0	0	0	112.5	L264 M265 Q266 L271 Y272 V513 D516 N572 V575 V576	L264-L268 HydrophobicContact CD1-CD1 4.46Å; L264-L268 HydrophobicContact CD1-CG 4.27Å; L264-L268 HydrophobicContact CG-CD1 4.29Å; L264-L268 HydrophobicContact CG-CG 4.5Å; L264-L268 VanDerWaalsContact O-CG 3.29Å; L264-L268 WeakPolarHBondContact O-CG 3.38Å; L264-L268 PolarHBondContact O-N 3.07Å; M265-L268 HydrophobicContact CE-CD1 3.77Å; M265-L268 PolarHBondContact O-N 3.25Å; Q266-L268 PolarHBondContact O-N 2.8Å; L268-L271 HydrophobicContact CD2-CD1 4.49Å; L268-L271 PolarHBondContact O-N 2.88Å; L268-Y272 PolarHBondContact O-N 3.22Å; L268-V513 HydrophobicContact CB-CG1 4.26Å; L268-V513 HydrophobicContact CB-CG2 4.15Å; L268-V513 HydrophobicContact CD2-CG2 4.49Å; L268-D516 HydrophobicContact CD1-CB 3.97Å; L268-N572 HydrophobicContact CD1-CB 4.06Å; L268-N572 HydrophobicContact CD2-CB 4Å; L268-V575 HydrophobicContact CD2-CB 4.2Å; L268-V575 HydrophobicContact CD2-CG1 3.88Å; L268-V576 HydrophobicContact CD2-CG2 4.26Å
269	E	96.3	Very high	93.8	Very high	64 Å²	64	56 Å²	56	30%	0.299	28%	0.279	S	S	.	.	H	α-helix	trans	-65.3	-43.7	174.3	-74.6	-161.3	134.9	0	0	112.4	M265 Q266 L271 Y272 D273 K517 Y543	M265-E269 WeakPolarHBondContact O-CG 3.5Å; M265-E269 PolarHBondContact O-N 3.24Å; Q266-E269 PolarHBondContact O-N 2.91Å; E269-L271 VanDerWaalsContact C-N 3.3Å; E269-L271 PolarHBondContact O-N 3.12Å; E269-Y272 WeakPolarHBondContact O-CB 3.13Å; E269-Y272 PolarHBondContact O-N 3.32Å; E269-Y272 VanDerWaalsContact O-N 3.11Å; E269-D273 PolarHBondContact O-N 2.93Å; E269-K517 VanDerWaalsContact CD-NZ 3.26Å; E269-K517 HydrophobicContact CG-CD 4Å; E269-K517 IonicContact OE1-NZ 3.53Å; E269-K517 PolarHBondContact OE1-NZ 2.87Å; E269-K517 IonicContact OE2-NZ 2.89Å; E269-Y543 PolarHBondContact OE1-OH 3.34Å
270	K	96.6	Very high	94.4	Very high	92 Å²	92	55.3 Å²	55.3	40%	0.4	27%	0.268	S	S	.	.	H	α-helix	trans	-56.7	-45.9	175	-177.4	-175.4	172.8	-172	0	111.1	Q266 M267 Y272 D273 E274 E637	Q266-K270 WeakPolarHBondContact O-CB 3.46Å; Q266-K270 PolarHBondContact O-N 3.15Å; M267-K270 PolarHBondContact O-N 2.85Å; K270-Y272 VanDerWaalsContact C-N 3.33Å; K270-Y272 PolarHBondContact O-N 3.46Å; K270-D273 PolarHBondContact O-N 3.21Å; K270-E274 WeakPolarHBondContact CE-OE1 3.41Å; K270-E274 IonicContact NZ-OE1 3.27Å; K270-E274 WeakPolarHBondContact O-CG 3.27Å; K270-E274 PolarHBondContact O-N 3.48Å; K270-E637 IonicContact NZ-OE2 3.43Å
271	L	96.8	Very high	95.4	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.016	24%	0.243	C	C	.	.	H	α-helix	trans	-60.5	-41.8	176.2	-73.4	179.5	0	0	0	112.6	M267 L268 E269 V275 V575 V576 V579 L638 V640	M267-L271 WeakPolarHBondContact O-CG 3.41Å; M267-L271 PolarHBondContact O-N 2.96Å; M267-L271 VanDerWaalsContact O-N 3.11Å; L268-L271 HydrophobicContact CD2-CD1 4.49Å; L268-L271 PolarHBondContact O-N 2.88Å; E269-L271 VanDerWaalsContact C-N 3.3Å; E269-L271 PolarHBondContact O-N 3.12Å; L271-V275 WeakPolarHBondContact O-CG1 3.38Å; L271-V275 PolarHBondContact O-N 3.24Å; L271-V575 HydrophobicContact CD1-CG1 3.91Å; L271-V576 HydrophobicContact CD1-CG2 4.07Å; L271-V579 HydrophobicContact CD2-CB 4.28Å; L271-V579 HydrophobicContact CD2-CG1 3.89Å; L271-V579 HydrophobicContact CD2-CG2 4.07Å; L271-L638 HydrophobicContact CD1-CD2 3.67Å; L271-L638 HydrophobicContact CD2-CD1 4.45Å; L271-L638 HydrophobicContact CD2-CD2 3.65Å; L271-L638 HydrophobicContact CD2-CG 3.72Å; L271-L638 HydrophobicContact CG-CD2 3.9Å; L271-L638 HydrophobicContact CG-CG 4.49Å; L271-V640 HydrophobicContact CD2-CG2 3.77Å
272	Y	97	Very high	96.2	Very high	5 Å²	5	40.5 Å²	40.5	2%	0.02	20%	0.199	C	C	.	.	H	α-helix	trans	-61.5	-49.3	176.2	172.8	-103	0	0	0	111.3	L268 E269 K270 E274 V275 R276 P510 K542 Y543	L268-Y272 PolarHBondContact O-N 3.22Å; E269-Y272 WeakPolarHBondContact O-CB 3.13Å; E269-Y272 PolarHBondContact O-N 3.32Å; E269-Y272 VanDerWaalsContact O-N 3.11Å; K270-Y272 VanDerWaalsContact C-N 3.33Å; K270-Y272 PolarHBondContact O-N 3.46Å; Y272-E274 VanDerWaalsContact C-N 3.31Å; Y272-E274 PolarHBondContact O-N 3.18Å; Y272-V275 WeakPolarHBondContact O-CG1 3.42Å; Y272-V275 PolarHBondContact O-N 3.19Å; Y272-R276 WeakPolarHBondContact O-CB 3.29Å; Y272-R276 PolarHBondContact O-N 3.43Å; Y272-P510 HydrophobicContact CD2-CB 4.16Å; Y272-P510 HydrophobicContact CD2-CG 4.19Å; Y272-P510 HydrophobicContact CE2-CB 3.93Å; Y272-P510 HydrophobicContact CE2-CG 4.02Å; Y272-K542 PolarHBondContact OH-O 3.2Å; Y272-Y543 AromaticContact CD1-CD1 3.74Å; Y272-Y543 HydrophobicContact CD1-CD1 3.74Å; Y272-Y543 AromaticContact CD1-CE1 3.92Å; Y272-Y543 HydrophobicContact CD1-CE1 3.92Å; Y272-Y543 HydrophobicContact CD2-CD1 4Å; Y272-Y543 AromaticContact CE1-CD1 3.66Å; Y272-Y543 HydrophobicContact CE1-CD1 3.66Å; Y272-Y543 HydrophobicContact CE1-CE1 4.08Å; Y272-Y543 AromaticContact CE2-CD1 3.95Å; Y272-Y543 HydrophobicContact CE2-CD1 3.95Å; Y272-Y543 VanDerWaalsContact CE2-O 3.28Å; Y272-Y543 WeakPolarHBondContact CE2-O 3.29Å; Y272-Y543 AromaticContact CG-CD1 3.9Å; Y272-Y543 HydrophobicContact CG-CD1 3.9Å; Y272-Y543 HydrophobicContact CG-CE1 4.3Å; Y272-Y543 AromaticContact CZ-CD1 3.77Å; Y272-Y543 WeakPolarHBondContact OH-CA 3.49Å; Y272-Y543 PolarHBondContact OH-O 3.39Å; Y272-Y543 VanDerWaalsContact OH-O 3.11Å
273	D	97.3	Very high	96.5	Very high	100 Å²	100	39.8 Å²	39.8	54%	0.535	20%	0.195	S	C	.	.	H	α-helix	trans	-62	-39.5	-179	-71.8	-23.5	0	0	0	111.8	E269 K270	E269-D273 PolarHBondContact O-N 2.93Å; K270-D273 PolarHBondContact O-N 3.21Å
274	E	96.7	Very high	96.7	Very high	65 Å²	65	36 Å²	36	30%	0.304	18%	0.175	S	C	.	.	H	α-helix	trans	-69.6	-36.2	177	-71.9	-177	-167.6	0	0	113.2	K270 Y272 V640	K270-E274 WeakPolarHBondContact CE-OE1 3.41Å; K270-E274 IonicContact NZ-OE1 3.27Å; K270-E274 WeakPolarHBondContact O-CG 3.27Å; K270-E274 PolarHBondContact O-N 3.48Å; Y272-E274 VanDerWaalsContact C-N 3.31Å; Y272-E274 PolarHBondContact O-N 3.18Å; E274-V640 HydrophobicContact CB-CB 3.78Å; E274-V640 HydrophobicContact CB-CG2 3.62Å; E274-V640 PolarHBondContact OE2-N 3.34Å
275	V	96.9	Very high	96.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-81.8	-22.6	179.2	81.5	0	0	0	0	112.8	L271 Y272 P277 M278 Y279 V506 I509 V640	L271-V275 WeakPolarHBondContact O-CG1 3.38Å; L271-V275 PolarHBondContact O-N 3.24Å; Y272-V275 WeakPolarHBondContact O-CG1 3.42Å; Y272-V275 PolarHBondContact O-N 3.19Å; V275-P277 VanDerWaalsContact C-CD 3.45Å; V275-M278 HydrophobicContact CG2-CE 3.64Å; V275-M278 PolarHBondContact O-N 3.01Å; V275-Y279 PolarHBondContact O-N 2.9Å; V275-V506 HydrophobicContact CG2-CG1 4.1Å; V275-I509 HydrophobicContact CB-CD1 4.49Å; V275-I509 HydrophobicContact CG1-CB 4.33Å; V275-I509 HydrophobicContact CG1-CD1 4.46Å; V275-I509 HydrophobicContact CG1-CG2 3.75Å; V275-I509 HydrophobicContact CG2-CD1 4Å; V275-V640 HydrophobicContact CB-CG1 4.02Å; V275-V640 HydrophobicContact CG2-CG1 4.09Å
276	R	96.5	Very high	96.9	Very high	103 Å²	103	35.6 Å²	35.6	39%	0.389	17%	0.172	S	C	.	.	H	α-helix	trans	-49.7	-44.7	-173	-177.6	175.3	-177.1	173.4	5.8	114.2	Y272 M278 Y279 D280	Y272-R276 WeakPolarHBondContact O-CB 3.29Å; Y272-R276 PolarHBondContact O-N 3.43Å; R276-M278 VanDerWaalsContact C-N 3.28Å; R276-M278 PolarHBondContact O-N 3.46Å; R276-Y279 PolarHBondContact O-N 2.69Å; R276-Y279 VanDerWaalsContact O-N 3.13Å; R276-D280 WeakPolarHBondContact CG-OD2 3.42Å; R276-D280 IonicContact NE-OD2 3.21Å; R276-D280 WeakPolarHBondContact O-CB 3.37Å; R276-D280 VanDerWaalsContact O-CG 3.29Å; R276-D280 PolarHBondContact O-N 2.81Å
277	P	96.7	Very high	96.9	Very high	89 Å²	89	29.4 Å²	29.4	58%	0.578	14%	0.143	S	C	*	.	H	α-helix	trans	-58.2	-37.7	179.1	-26.3	36.2	0	0	0	113.9	V275 Q281	V275-P277 VanDerWaalsContact C-CD 3.45Å; P277-Q281 WeakPolarHBondContact O-CG 3.03Å
278	M	97	Very high	96.8	Very high	6 Å²	6	27.9 Å²	27.9	3%	0.03	14%	0.136	C	C	.	.	H	α-helix	trans	-75.9	-41.5	175.3	174	174.2	56.5	0	0	111.3	V275 R276 D280 Q281 L282 V506 M643 M647 I651	V275-M278 HydrophobicContact CG2-CE 3.64Å; V275-M278 PolarHBondContact O-N 3.01Å; R276-M278 VanDerWaalsContact C-N 3.28Å; R276-M278 PolarHBondContact O-N 3.46Å; M278-D280 PolarHBondContact O-N 2.89Å; M278-Q281 PolarHBondContact O-N 3.17Å; M278-L282 PolarHBondContact O-N 2.98Å; M278-V506 HydrophobicContact CE-CB 4.36Å; M278-V506 HydrophobicContact CE-CG1 3.9Å; M278-V506 HydrophobicContact CE-CG2 3.45Å; M278-V506 VanDerWaalsContact CE-CG2 3.45Å; M278-V506 HydrophobicContact CG-CG1 4.27Å; M278-V506 HydrophobicContact SD-CG2 4.02Å; M278-M643 HydrophobicContact CE-CE 4.29Å; M278-M643 HydrophobicContact CE-CG 4.18Å; M278-M643 HydrophobicContact CE-SD 4.11Å; M278-M647 HydrophobicContact CE-SD 4.15Å; M278-M647 HydrophobicContact SD-CB 3.9Å; M278-M647 HydrophobicContact SD-CG 4.28Å; M278-M647 HydrophobicContact SD-SD 3.58Å; M278-I651 HydrophobicContact CB-CD1 4.24Å; M278-I651 HydrophobicContact CB-CG1 4.4Å; M278-I651 HydrophobicContact CG-CD1 4.05Å; M278-I651 HydrophobicContact CG-CG1 3.88Å; M278-I651 HydrophobicContact SD-CD1 3.7Å; M278-I651 HydrophobicContact SD-CG1 3.88Å
279	Y	97.4	Very high	96.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61	-43	177.7	177.3	-99.5	0	0	0	112.1	V275 R276 Q281 L282 H283 W335 V506 P510 Q544 W667	V275-Y279 PolarHBondContact O-N 2.9Å; R276-Y279 PolarHBondContact O-N 2.69Å; R276-Y279 VanDerWaalsContact O-N 3.13Å; Y279-Q281 VanDerWaalsContact C-N 3.27Å; Y279-Q281 PolarHBondContact O-N 2.95Å; Y279-L282 CarbonylContact O-C 3.51Å; Y279-L282 WeakPolarHBondContact O-CB 3.01Å; Y279-L282 PolarHBondContact O-N 2.83Å; Y279-L282 VanDerWaalsContact O-N 3.12Å; Y279-H283 HydrophobicContact CE1-CB 4.3Å; Y279-H283 WeakPolarHBondContact O-CB 3.46Å; Y279-H283 PolarHBondContact O-N 3.41Å; Y279-W335 AromaticContact CE2-CH2 3.48Å; Y279-W335 HydrophobicContact CE2-CH2 3.48Å; Y279-W335 VanDerWaalsContact CE2-CH2 3.48Å; Y279-W335 AromaticContact CE2-CZ2 3.83Å; Y279-W335 HydrophobicContact CE2-CZ2 3.83Å; Y279-W335 HydrophobicContact CE2-CZ3 4.19Å; Y279-W335 AromaticContact CZ-CH2 3.58Å; Y279-W335 AromaticContact CZ-CZ2 3.84Å; Y279-W335 VanDerWaalsContact OH-CH2 3.23Å; Y279-W335 WeakPolarHBondContact OH-CH2 3.44Å; Y279-W335 WeakPolarHBondContact OH-CZ2 3.16Å; Y279-V506 HydrophobicContact CD2-CG1 4.32Å; Y279-P510 HydrophobicContact CD1-CG 4.07Å; Y279-P510 HydrophobicContact CD2-CG 3.69Å; Y279-P510 HydrophobicContact CE1-CG 4.02Å; Y279-P510 HydrophobicContact CE2-CG 3.65Å; Y279-P510 HydrophobicContact CG-CG 3.9Å; Y279-Q544 WeakPolarHBondContact OH-CA 2.98Å; Y279-Q544 WeakPolarHBondContact OH-CG 3.49Å; Y279-Q544 PolarHBondContact OH-O 2.79Å; Y279-W667 HydrophobicContact CD1-CH2 4.24Å; Y279-W667 HydrophobicContact CD1-CZ3 4.34Å; Y279-W667 AromaticContact CE1-CH2 3.72Å; Y279-W667 HydrophobicContact CE1-CH2 3.72Å; Y279-W667 AromaticContact CE1-CZ3 3.84Å; Y279-W667 HydrophobicContact CE1-CZ3 3.84Å
280	D	97.6	Very high	96.5	Very high	19 Å²	19	26.4 Å²	26.4	10%	0.102	13%	0.129	C	C	.	.	H	α-helix	trans	-63.5	-34.3	-179.7	-71.8	-11.2	0	0	0	111.7	R276 M278 A284 I665	R276-D280 WeakPolarHBondContact CG-OD2 3.42Å; R276-D280 IonicContact NE-OD2 3.21Å; R276-D280 WeakPolarHBondContact O-CB 3.37Å; R276-D280 VanDerWaalsContact O-CG 3.29Å; R276-D280 PolarHBondContact O-N 2.81Å; M278-D280 PolarHBondContact O-N 2.89Å; D280-A284 VanDerWaalsContact O-CB 3.26Å; D280-A284 WeakPolarHBondContact O-CB 3.42Å; D280-A284 PolarHBondContact O-N 3.42Å; D280-I665 HydrophobicContact CB-CG2 3.71Å
281	Q	98.2	Very high	96.3	Very high	28 Å²	28	24.5 Å²	24.5	13%	0.131	12%	0.119	C	C	.	.	H	α-helix	trans	-69.2	-43	172.9	-66.9	-65.2	-20.5	0	0	112	P277 M278 Y279 Y285 L654 V655 N658 I665	P277-Q281 WeakPolarHBondContact O-CG 3.03Å; M278-Q281 PolarHBondContact O-N 3.17Å; Y279-Q281 VanDerWaalsContact C-N 3.27Å; Y279-Q281 PolarHBondContact O-N 2.95Å; Q281-Y285 WeakPolarHBondContact O-CB 3.29Å; Q281-Y285 PolarHBondContact O-N 3.49Å; Q281-Y285 VanDerWaalsContact O-N 3.1Å; Q281-L654 HydrophobicContact CB-CB 4.04Å; Q281-L654 HydrophobicContact CB-CD1 4.38Å; Q281-V655 HydrophobicContact CG-CG2 3.94Å; Q281-N658 PolarHBondContact O-ND2 2.78Å; Q281-N658 PolarHBondContact OE1-ND2 3.2Å; Q281-I665 VanDerWaalsContact OE1-CD1 3.28Å
282	L	97.8	Very high	96.1	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-62.9	-45.7	175.9	179.5	65.1	0	0	0	111.2	M278 Y279 Y285 V286 W335 Y499 A502 L503 V506 A507 L654	M278-L282 PolarHBondContact O-N 2.98Å; Y279-L282 CarbonylContact O-C 3.51Å; Y279-L282 WeakPolarHBondContact O-CB 3.01Å; Y279-L282 PolarHBondContact O-N 2.83Å; Y279-L282 VanDerWaalsContact O-N 3.12Å; L282-Y285 PolarHBondContact O-N 3.36Å; L282-V286 HydrophobicContact CD1-CG2 4.39Å; L282-V286 WeakPolarHBondContact O-CB 3.17Å; L282-V286 WeakPolarHBondContact O-CG2 3.29Å; L282-V286 PolarHBondContact O-N 3.34Å; L282-W335 HydrophobicContact CD2-CE3 4.4Å; L282-W335 HydrophobicContact CD2-CZ3 4.29Å; L282-W335 HydrophobicContact CG-CE3 4.43Å; L282-W335 HydrophobicContact CG-CZ3 4.1Å; L282-Y499 HydrophobicContact CD1-CD2 3.98Å; L282-Y499 HydrophobicContact CD1-CE2 3.49Å; L282-Y499 VanDerWaalsContact CD1-CE2 3.49Å; L282-A502 HydrophobicContact CD1-CB 4.31Å; L282-A502 HydrophobicContact CD2-CB 4.06Å; L282-L503 HydrophobicContact CD1-CD2 4.17Å; L282-V506 HydrophobicContact CD2-CB 4.15Å; L282-V506 HydrophobicContact CD2-CG1 4.13Å; L282-A507 HydrophobicContact CD2-CB 4.28Å; L282-L654 HydrophobicContact CB-CD1 4.37Å; L282-L654 HydrophobicContact CD1-CD1 4.5Å
283	H	97.1	Very high	95.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60	-51.7	177.4	179.9	-73.9	0	0	0	111.1	Y279 Y285 V286 R287 W335 Q544 G545 W667	Y279-H283 HydrophobicContact CE1-CB 4.3Å; Y279-H283 WeakPolarHBondContact O-CB 3.46Å; Y279-H283 PolarHBondContact O-N 3.41Å; H283-Y285 VanDerWaalsContact C-N 3.28Å; H283-Y285 PolarHBondContact O-N 3.43Å; H283-V286 PolarHBondContact O-N 3.38Å; H283-R287 VanDerWaalsContact O-CB 3.29Å; H283-R287 WeakPolarHBondContact O-CB 3.3Å; H283-R287 PolarHBondContact O-N 3.09Å; H283-W335 HydrophobicContact CB-CH2 4.12Å; H283-W335 HydrophobicContact CB-CZ3 4.48Å; H283-W335 AromaticContact CD2-CH2 3.92Å; H283-Q544 PolarHBondContact CD2-O 3.27Å; H283-G545 PolarHBondContact NE2-O 3.07Å; H283-W667 HydrophobicContact CB-CZ3 4.43Å; H283-W667 AromaticContact CD2-CE3 3.94Å; H283-W667 AromaticContact CD2-CZ3 3.87Å; H283-W667 AromaticContact CE1-CE3 3.65Å; H283-W667 AromaticContact CG-CZ3 3.97Å; H283-W667 AromaticContact ND1-CE3 3.86Å; H283-W667 AromaticContact NE2-CE3 3.71Å
284	A	97.5	Very high	95.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-57.3	-43	179.1	0	0	0	0	0	112	D280 G288 A664 I665	D280-A284 VanDerWaalsContact O-CB 3.26Å; D280-A284 WeakPolarHBondContact O-CB 3.42Å; D280-A284 PolarHBondContact O-N 3.42Å; A284-G288 PolarHBondContact O-N 3.04Å; A284-A664 VanDerWaalsContact CB-O 3.24Å; A284-A664 WeakPolarHBondContact CB-O 3.41Å; A284-I665 HydrophobicContact CB-CD1 3.63Å
285	Y	97.6	Very high	94.7	Very high	10 Å²	10	32.5 Å²	32.5	4%	0.039	15%	0.154	C	C	.	.	H	α-helix	trans	-63.7	-49.3	177.1	175.6	-102.9	0	0	0	111.9	Q281 L282 H283 R287 G288 Q289 T342 Y499 W653 L654 K657 N658	Q281-Y285 WeakPolarHBondContact O-CB 3.29Å; Q281-Y285 PolarHBondContact O-N 3.49Å; Q281-Y285 VanDerWaalsContact O-N 3.1Å; L282-Y285 PolarHBondContact O-N 3.36Å; H283-Y285 VanDerWaalsContact C-N 3.28Å; H283-Y285 PolarHBondContact O-N 3.43Å; Y285-R287 PolarHBondContact O-N 3.34Å; Y285-G288 PolarHBondContact O-N 2.78Å; Y285-Q289 HydrophobicContact CD1-CG 4.5Å; Y285-Q289 HydrophobicContact CE1-CG 4.02Å; Y285-Q289 HydrophobicContact CE2-CG 4.26Å; Y285-Q289 WeakPolarHBondContact O-CG 3.18Å; Y285-Q289 PolarHBondContact O-N 3.41Å; Y285-Q289 PolarHBondContact OH-NE2 2.95Å; Y285-T342 VanDerWaalsContact CE1-O 3.23Å; Y285-T342 WeakPolarHBondContact CE1-O 3.48Å; Y285-T342 PolarHBondContact OH-O 3.39Å; Y285-Y499 AromaticContact CD1-CE2 3.85Å; Y285-Y499 HydrophobicContact CD1-CE2 3.85Å; Y285-Y499 AromaticContact CE1-CE2 3.84Å; Y285-Y499 HydrophobicContact CE1-CE2 3.84Å; Y285-Y499 AromaticContact CE1-CZ 3.74Å; Y285-W653 HydrophobicContact CD2-CH2 4.21Å; Y285-W653 HydrophobicContact CD2-CZ3 4.04Å; Y285-W653 HydrophobicContact CE1-CH2 4.44Å; Y285-W653 HydrophobicContact CE1-CZ3 4.29Å; Y285-W653 AromaticContact CE2-CH2 3.44Å; Y285-W653 HydrophobicContact CE2-CH2 3.44Å; Y285-W653 VanDerWaalsContact CE2-CH2 3.44Å; Y285-W653 AromaticContact CE2-CZ3 3.68Å; Y285-W653 HydrophobicContact CE2-CZ3 3.68Å; Y285-W653 HydrophobicContact CG-CZ3 4.49Å; Y285-W653 AromaticContact CZ-CH2 3.58Å; Y285-W653 AromaticContact CZ-CZ3 3.82Å; Y285-L654 HydrophobicContact CD1-CD2 3.88Å; Y285-L654 HydrophobicContact CD2-CD2 4.21Å; Y285-L654 HydrophobicContact CG-CD2 3.59Å; Y285-K657 HydrophobicContact CD2-CG 4.11Å; Y285-K657 HydrophobicContact CE2-CG 3.95Å; Y285-N658 VanDerWaalsContact CA-OD1 3.25Å; Y285-N658 WeakPolarHBondContact CA-OD1 3.42Å; Y285-N658 WeakPolarHBondContact CB-OD1 3.28Å; Y285-N658 PolarHBondContact N-OD1 3.16Å
286	V	95.5	Very high	94.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-44.6	178.7	169.2	0	0	0	0	110.9	L282 H283 G288 Q289 L290 I304 L309 W335 L338 Y499 L503	L282-V286 HydrophobicContact CD1-CG2 4.39Å; L282-V286 WeakPolarHBondContact O-CB 3.17Å; L282-V286 WeakPolarHBondContact O-CG2 3.29Å; L282-V286 PolarHBondContact O-N 3.34Å; H283-V286 PolarHBondContact O-N 3.38Å; V286-G288 VanDerWaalsContact C-N 3.31Å; V286-G288 PolarHBondContact O-N 2.68Å; V286-Q289 PolarHBondContact O-N 2.83Å; V286-L290 HydrophobicContact CG1-CD1 3.97Å; V286-L290 HydrophobicContact CG1-CG 4.36Å; V286-L290 WeakPolarHBondContact O-CG 3.31Å; V286-L290 PolarHBondContact O-N 3.4Å; V286-I304 HydrophobicContact CG1-CD1 4.25Å; V286-L309 HydrophobicContact CG1-CD2 4.46Å; V286-W335 HydrophobicContact CB-CE3 4.44Å; V286-W335 HydrophobicContact CB-CZ3 4.34Å; V286-W335 HydrophobicContact CG1-CE3 4.38Å; V286-W335 HydrophobicContact CG2-CE3 4.07Å; V286-W335 HydrophobicContact CG2-CZ3 4.24Å; V286-L338 HydrophobicContact CG1-CD1 3.57Å; V286-Y499 WeakPolarHBondContact CG2-OH 3.43Å; V286-L503 HydrophobicContact CG2-CD2 4.02Å
287	R	95.3	Very high	93.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.1	-44.1	174.1	-174.9	173.4	63.9	-157.9	-7.3	111.2	H283 Y285 Q289 L290 R291 V298 H299 K300 D301 G302 I304 A664 G666	H283-R287 VanDerWaalsContact O-CB 3.29Å; H283-R287 WeakPolarHBondContact O-CB 3.3Å; H283-R287 PolarHBondContact O-N 3.09Å; Y285-R287 PolarHBondContact O-N 3.34Å; R287-Q289 PolarHBondContact O-N 3.09Å; R287-L290 PolarHBondContact O-N 2.78Å; R287-R291 VanDerWaalsContact O-CB 3.3Å; R287-R291 WeakPolarHBondContact O-CB 3.46Å; R287-R291 PolarHBondContact O-N 2.7Å; R287-V298 HydrophobicContact CG-CG1 3.58Å; R287-H299 WeakPolarHBondContact CD-O 3.07Å; R287-K300 PolarHBondContact NE-O 2.91Å; R287-K300 PolarHBondContact NH2-O 3.33Å; R287-D301 VanDerWaalsContact NH1-C 3.3Å; R287-D301 PolarHBondContact NH1-O 3.15Å; R287-G302 WeakPolarHBondContact CD-O 3.25Å; R287-G302 PolarHBondContact NH1-O 3.32Å; R287-I304 HydrophobicContact CB-CD1 4.02Å; R287-I304 HydrophobicContact CB-CG1 3.97Å; R287-I304 HydrophobicContact CG-CG1 4.13Å; R287-A664 PolarHBondContact NH2-O 3.28Å; R287-G666 VanDerWaalsContact CZ-O 3.26Å; R287-G666 PolarHBondContact NH1-O 3.37Å; R287-G666 PolarHBondContact NH2-O 2.91Å
288	G	95.2	Very high	93.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.2	-43.2	175.4	0	0	0	0	0	112.7	A284 Y285 V286 R291 R292	A284-G288 PolarHBondContact O-N 3.04Å; Y285-G288 PolarHBondContact O-N 2.78Å; V286-G288 VanDerWaalsContact C-N 3.31Å; V286-G288 PolarHBondContact O-N 2.68Å; G288-R291 PolarHBondContact O-N 3.1Å; G288-R292 WeakPolarHBondContact O-CG 3.41Å; G288-R292 PolarHBondContact O-N 3.11Å
289	Q	93.8	Very high	92.9	Very high	31 Å²	31	34.3 Å²	34.3	15%	0.145	17%	0.171	C	C	.	.	H	α-helix	trans	-65.5	-45.7	174.8	-62.1	-50.7	-37.4	0	0	112.1	Y285 V286 R287 R291 R292 Q293 T342	Y285-Q289 HydrophobicContact CD1-CG 4.5Å; Y285-Q289 HydrophobicContact CE1-CG 4.02Å; Y285-Q289 HydrophobicContact CE2-CG 4.26Å; Y285-Q289 WeakPolarHBondContact O-CG 3.18Å; Y285-Q289 PolarHBondContact O-N 3.41Å; Y285-Q289 PolarHBondContact OH-NE2 2.95Å; V286-Q289 PolarHBondContact O-N 2.83Å; R287-Q289 PolarHBondContact O-N 3.09Å; Q289-R291 VanDerWaalsContact C-N 3.3Å; Q289-R291 PolarHBondContact O-N 3.25Å; Q289-R292 WeakPolarHBondContact O-CB 3.47Å; Q289-R292 PolarHBondContact O-N 2.99Å; Q289-Q293 PolarHBondContact O-N 3.23Å; Q289-T342 HydrophobicContact CB-CG2 3.64Å; Q289-T342 HydrophobicContact CG-CG2 3.92Å
290	L	92.4	Very high	92.6	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-62.4	-37.9	177.6	-69.8	173.8	0	0	0	111.6	V286 R287 R292 Q293 Y294 V298 I304 L308 L338	V286-L290 HydrophobicContact CG1-CD1 3.97Å; V286-L290 HydrophobicContact CG1-CG 4.36Å; V286-L290 WeakPolarHBondContact O-CG 3.31Å; V286-L290 PolarHBondContact O-N 3.4Å; R287-L290 PolarHBondContact O-N 2.78Å; L290-R292 PolarHBondContact O-N 2.79Å; L290-Q293 CarbonylContact O-C 3.6Å; L290-Q293 WeakPolarHBondContact O-CB 3.45Å; L290-Q293 PolarHBondContact O-N 3.47Å; L290-Q293 VanDerWaalsContact O-N 3.12Å; L290-Y294 PolarHBondContact O-N 3.49Å; L290-V298 HydrophobicContact CB-CG1 4.47Å; L290-V298 HydrophobicContact CB-CG2 4.13Å; L290-I304 HydrophobicContact CD1-CD1 4.44Å; L290-I304 HydrophobicContact CD1-CG2 3.62Å; L290-L308 HydrophobicContact CD1-CB 4.2Å; L290-L308 HydrophobicContact CD2-CB 4.35Å; L290-L338 HydrophobicContact CD2-CD2 4.05Å
291	R	92.7	Very high	92.3	Very high	53 Å²	53	41.2 Å²	41.2	20%	0.2	20%	0.202	C	C	.	.	H	α-helix	trans	-66	-34.8	177	-171.1	175.7	76.7	-119.1	-0.9	112.9	R287 G288 Q289 Q293 Y294 P295 V298 D663	R287-R291 VanDerWaalsContact O-CB 3.3Å; R287-R291 WeakPolarHBondContact O-CB 3.46Å; R287-R291 PolarHBondContact O-N 2.7Å; G288-R291 PolarHBondContact O-N 3.1Å; Q289-R291 VanDerWaalsContact C-N 3.3Å; Q289-R291 PolarHBondContact O-N 3.25Å; R291-Q293 PolarHBondContact O-N 3.3Å; R291-Y294 CarbonylContact O-C 3.51Å; R291-P295 WeakPolarHBondContact O-CA 3.33Å; R291-P295 WeakPolarHBondContact O-CB 3.24Å; R291-P295 VanDerWaalsContact O-N 3.1Å; R291-V298 HydrophobicContact CB-CB 4.13Å; R291-V298 HydrophobicContact CB-CG1 4.12Å; R291-V298 WeakPolarHBondContact CG-O 3.34Å; R291-D663 IonicContact CZ-OD1 3.9Å; R291-D663 VanDerWaalsContact CZ-OD1 3.27Å; R291-D663 IonicContact NH1-OD1 2.62Å; R291-D663 PolarHBondContact NH1-OD1 2.78Å; R291-D663 IonicContact NH2-OD1 2.75Å; R291-D663 PolarHBondContact NH2-OD1 3.04Å
292	R	91.3	Very high	92.1	Very high	154 Å²	154	39.9 Å²	39.9	58%	0.581	20%	0.196	S	C	*	.	H	α-helix	trans	-62.7	-29.6	173.4	-70.3	170.3	-170.6	-179.1	-0.7	112	G288 Q289 L290	G288-R292 WeakPolarHBondContact O-CG 3.41Å; G288-R292 PolarHBondContact O-N 3.11Å; Q289-R292 WeakPolarHBondContact O-CB 3.47Å; Q289-R292 PolarHBondContact O-N 2.99Å; L290-R292 PolarHBondContact O-N 2.79Å
293	Q	86.5	Confident	91.9	Very high	79 Å²	79	39.9 Å²	39.9	37%	0.369	20%	0.196	S	C	.	.	H	α-helix	trans	-90	-38.6	-178.2	-173.7	139.1	42.7	0	0	113	Q289 L290 R291 P295 W313	Q289-Q293 PolarHBondContact O-N 3.23Å; L290-Q293 CarbonylContact O-C 3.6Å; L290-Q293 WeakPolarHBondContact O-CB 3.45Å; L290-Q293 PolarHBondContact O-N 3.47Å; L290-Q293 VanDerWaalsContact O-N 3.12Å; R291-Q293 PolarHBondContact O-N 3.3Å; Q293-P295 VanDerWaalsContact C-CD 3.49Å; Q293-W313 HydrophobicContact CG-CH2 3.54Å; Q293-W313 HydrophobicContact CG-CZ2 3.9Å; Q293-W313 HydrophobicContact CG-CZ3 4.17Å
294	Y	88.8	Confident	91.7	Very high	17 Å²	17	39.9 Å²	39.9	7%	0.067	20%	0.196	C	C	.	.			trans	-128.8	65.5	-177	-52.8	-64.1	0	0	0	110.8	T207 I209 L290 R291 S296 F297 V298 L308 W313	T207-Y294 PolarHBondContact O-OH 3.41Å; T207-Y294 VanDerWaalsContact O-OH 3.11Å; I209-Y294 HydrophobicContact CB-CD1 4.17Å; I209-Y294 HydrophobicContact CB-CE1 3.86Å; I209-Y294 HydrophobicContact CD1-CD1 3.88Å; I209-Y294 HydrophobicContact CD1-CD2 4.46Å; I209-Y294 HydrophobicContact CD1-CE1 4.28Å; I209-Y294 HydrophobicContact CD1-CG 3.94Å; L290-Y294 PolarHBondContact O-N 3.49Å; R291-Y294 CarbonylContact O-C 3.51Å; Y294-S296 PolarHBondContact O-N 2.92Å; Y294-S296 VanDerWaalsContact O-N 3.16Å; Y294-F297 PolarHBondContact O-N 3.49Å; Y294-V298 PolarHBondContact O-N 2.91Å; Y294-L308 HydrophobicContact CD2-CD1 3.97Å; Y294-L308 HydrophobicContact CD2-CD2 4.04Å; Y294-L308 HydrophobicContact CE2-CD1 4.38Å; Y294-L308 HydrophobicContact CE2-CD2 3.65Å; Y294-W313 AromaticContact CE1-CH2 3.99Å; Y294-W313 HydrophobicContact CE1-CH2 3.99Å; Y294-W313 HydrophobicContact CE1-CZ2 4.38Å; Y294-W313 AromaticContact CE2-CH2 3.85Å; Y294-W313 HydrophobicContact CE2-CH2 3.85Å; Y294-W313 AromaticContact CE2-CZ2 3.4Å; Y294-W313 HydrophobicContact CE2-CZ2 3.4Å; Y294-W313 AromaticContact CZ-CH2 3.31Å; Y294-W313 AromaticContact CZ-CZ2 3.32Å; Y294-W313 WeakPolarHBondContact OH-CH2 3.29Å; Y294-W313 WeakPolarHBondContact OH-CZ2 3.12Å
295	P	86.1	Confident	91.5	Very high	91 Å²	91	40.1 Å²	40.1	59%	0.591	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-30.8	-170	23.1	-34.1	0	0	0	113.6	R291 Q293	R291-P295 WeakPolarHBondContact O-CA 3.33Å; R291-P295 WeakPolarHBondContact O-CB 3.24Å; R291-P295 VanDerWaalsContact O-N 3.1Å; Q293-P295 VanDerWaalsContact C-CD 3.49Å
296	S	86	Confident	91.2	Very high	111 Å²	111	39.7 Å²	39.7	78%	0.776	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-8.9	179.9	-54	0	0	0	0	114.4	Y294	Y294-S296 PolarHBondContact O-N 2.92Å; Y294-S296 VanDerWaalsContact O-N 3.16Å
297	F	85.5	Confident	90.9	Very high	58 Å²	58	39.8 Å²	39.8	25%	0.254	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-15.3	-171.3	-64.7	-95.8	0	0	0	113.5	I209 Y294 P305 Y681	I209-F297 HydrophobicContact CD1-CB 3.51Å; I209-F297 HydrophobicContact CD1-CD1 3.44Å; I209-F297 VanDerWaalsContact CD1-CD1 3.44Å; I209-F297 HydrophobicContact CD1-CD2 3.53Å; I209-F297 HydrophobicContact CD1-CE1 3.95Å; I209-F297 HydrophobicContact CD1-CE2 4.02Å; I209-F297 HydrophobicContact CD1-CG 3.2Å; I209-F297 HydrophobicContact CD1-CZ 4.22Å; I209-F297 HydrophobicContact CG1-CD1 4.2Å; I209-F297 HydrophobicContact CG1-CE1 4.33Å; I209-F297 HydrophobicContact CG1-CG 4.37Å; I209-F297 HydrophobicContact CG2-CE1 4.38Å; I209-F297 HydrophobicContact CG2-CE2 4.11Å; I209-F297 HydrophobicContact CG2-CZ 3.95Å; Y294-F297 PolarHBondContact O-N 3.49Å; F297-P305 WeakPolarHBondContact O-CG 3.42Å; F297-Y681 AromaticContact CD1-CE2 3.6Å; F297-Y681 HydrophobicContact CD1-CE2 3.6Å; F297-Y681 HydrophobicContact CE1-CD2 4.31Å; F297-Y681 AromaticContact CE1-CE2 3.4Å; F297-Y681 HydrophobicContact CE1-CE2 3.4Å; F297-Y681 AromaticContact CE1-CZ 3.9Å
298	V	89.3	Confident	90.7	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.024	20%	0.197	C	C	.	.	S	Bend	trans	-119.5	108.7	-177.6	-175.8	0	0	0	0	108.8	R287 L290 R291 Y294 L308	R287-V298 HydrophobicContact CG-CG1 3.58Å; L290-V298 HydrophobicContact CB-CG1 4.47Å; L290-V298 HydrophobicContact CB-CG2 4.13Å; R291-V298 HydrophobicContact CB-CB 4.13Å; R291-V298 HydrophobicContact CB-CG1 4.12Å; R291-V298 WeakPolarHBondContact CG-O 3.34Å; Y294-V298 PolarHBondContact O-N 2.91Å; V298-L308 HydrophobicContact CG2-CD1 3.55Å
299	H	90.1	Very high	90.1	Very high	62 Å²	62	39.8 Å²	39.8	29%	0.287	20%	0.197	S	C	.	.			trans	-60.8	149.9	175.2	-72.1	-89.5	0	0	0	111.1	R287 D301	R287-H299 WeakPolarHBondContact CD-O 3.07Å; H299-D301 VanDerWaalsContact C-N 3.27Å; H299-D301 PolarHBondContact O-N 3.24Å
300	K	89.7	Confident	88.7	Confident	109 Å²	109	38.3 Å²	38.3	47%	0.474	19%	0.19	S	C	.	.	S	Bend	trans	-65.1	-35.1	-178.3	-178.5	176.2	178.4	-175.8	0	112.2	R287 G662	R287-K300 PolarHBondContact NE-O 2.91Å; R287-K300 PolarHBondContact NH2-O 3.33Å; K300-G662 WeakPolarHBondContact CE-O 3.46Å; K300-G662 PolarHBondContact NZ-O 2.91Å
301	D	92.8	Very high	86.5	Confident	55 Å²	55	38.2 Å²	38.2	29%	0.294	19%	0.189	S	C	.	.	S	Bend	trans	-130.1	4.1	-169.9	56.5	-28.8	0	0	0	112.4	R287 H299 A664 W667 V668 Y670	R287-D301 VanDerWaalsContact NH1-C 3.3Å; R287-D301 PolarHBondContact NH1-O 3.15Å; H299-D301 VanDerWaalsContact C-N 3.27Å; H299-D301 PolarHBondContact O-N 3.24Å; D301-A664 HydrophobicContact CB-CB 3.84Å; D301-W667 CarbonylContact O-C 3.43Å; D301-W667 WeakPolarHBondContact O-CA 3.2Å; D301-V668 HydrophobicContact CB-CG2 4.36Å; D301-V668 PolarHBondContact O-N 3.48Å; D301-Y670 PolarHBondContact OD1-OH 2.78Å; D301-Y670 PolarHBondContact OD2-OH 3.32Å
302	G	92.3	Very high	84.1	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-95.3	175.5	178.8	0	0	0	0	0	114.7	R287	R287-G302 WeakPolarHBondContact CD-O 3.25Å; R287-G302 PolarHBondContact NH1-O 3.32Å
303	P	94.3	Very high	81.2	Confident	1 Å²	1	29 Å²	29	1%	0.006	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-64.3	151.6	174.1	25.6	-33.2	0	0	0	112.6	E541 G545 Q547	P303-E541 HydrophobicContact CG-CG 4.48Å; P303-G545 CarbonylContact C-O 3.52Å; P303-G545 WeakPolarHBondContact CA-O 3.19Å; P303-G545 VanDerWaalsContact CB-C 3.46Å; P303-G545 VanDerWaalsContact CB-O 3.32Å; P303-G545 WeakPolarHBondContact CB-O 3.37Å; P303-Q547 HydrophobicContact CB-CB 4.06Å; P303-Q547 HydrophobicContact CB-CG 4.14Å; P303-Q547 HydrophobicContact CG-CB 3.81Å; P303-Q547 HydrophobicContact CG-CG 3.88Å; P303-Q547 PolarHBondContact O-NE2 2.79Å
304	I	93.6	Very high	78.6	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	131.4	177.9	-60.5	169.7	0	0	0	109.1	V286 R287 L290 A306 L309 G545 V546 Q547	V286-I304 HydrophobicContact CG1-CD1 4.25Å; R287-I304 HydrophobicContact CB-CD1 4.02Å; R287-I304 HydrophobicContact CB-CG1 3.97Å; R287-I304 HydrophobicContact CG-CG1 4.13Å; L290-I304 HydrophobicContact CD1-CD1 4.44Å; L290-I304 HydrophobicContact CD1-CG2 3.62Å; I304-A306 PolarHBondContact O-N 3.41Å; I304-L309 HydrophobicContact CB-CD2 4.41Å; I304-L309 HydrophobicContact CB-CG 4.48Å; I304-L309 HydrophobicContact CD1-CD2 4Å; I304-L309 HydrophobicContact CG2-CD1 4.38Å; I304-L309 HydrophobicContact CG2-CD2 3.78Å; I304-L309 HydrophobicContact CG2-CG 3.8Å; I304-G545 PolarHBondContact N-O 3.44Å; I304-V546 VanDerWaalsContact O-CA 3.29Å; I304-V546 WeakPolarHBondContact O-CA 3.34Å; I304-V546 WeakPolarHBondContact O-CG1 3.29Å; I304-Q547 PolarHBondContact O-N 2.87Å
305	P	92.4	Very high	75.9	Confident	6 Å²	6	35 Å²	35	4%	0.039	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	126.6	171.5	-23.1	32.7	0	0	0	112.1	F297 H307 L308 P549	F297-P305 WeakPolarHBondContact O-CG 3.42Å; P305-H307 VanDerWaalsContact C-N 3.28Å; P305-H307 WeakPolarHBondContact CB-CE1 3.12Å; P305-H307 WeakPolarHBondContact CB-ND1 3.25Å; P305-H307 PolarHBondContact O-N 2.85Å; P305-H307 VanDerWaalsContact O-N 3.13Å; P305-L308 HydrophobicContact CB-CD1 4.18Å; P305-L308 HydrophobicContact CB-CG 4.22Å; P305-L308 HydrophobicContact CG-CD1 4.09Å; P305-L308 WeakPolarHBondContact O-CB 3.38Å; P305-L308 PolarHBondContact O-N 3.3Å; P305-P549 HydrophobicContact CB-CB 4.4Å
306	A	92	Very high	73.5	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-56.2	-36.1	-169.7	0	0	0	0	0	114.8	W216 I304 L308 L309 W537 V546 Q547	W216-A306 HydrophobicContact CZ2-CB 3.88Å; I304-A306 PolarHBondContact O-N 3.41Å; A306-L308 PolarHBondContact O-N 3.18Å; A306-L309 PolarHBondContact O-N 3.32Å; A306-W537 HydrophobicContact CB-CH2 4.01Å; A306-W537 HydrophobicContact CB-CZ3 4.3Å; A306-V546 HydrophobicContact CB-CG1 3.62Å; A306-Q547 WeakPolarHBondContact CB-O 3.01Å; A306-Q547 PolarHBondContact N-O 3.5Å
307	H	89.3	Confident	71.1	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.009	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-66.6	-13.3	178.7	69.6	-64.3	0	0	0	114.4	M203 Y213 W216 P305 V310 P549	M203-H307 HydrophobicContact CE-CB 4.47Å; Y213-H307 PolarHBondContact N-CD2 3.39Å; W216-H307 HydrophobicContact CB-CB 3.63Å; W216-H307 HydrophobicContact CD2-CB 4.23Å; W216-H307 HydrophobicContact CG-CB 3.59Å; P305-H307 VanDerWaalsContact C-N 3.28Å; P305-H307 WeakPolarHBondContact CB-CE1 3.12Å; P305-H307 WeakPolarHBondContact CB-ND1 3.25Å; P305-H307 PolarHBondContact O-N 2.85Å; P305-H307 VanDerWaalsContact O-N 3.13Å; H307-V310 WeakPolarHBondContact O-CG2 3.32Å; H307-P549 HydrophobicContact CB-CG 4.18Å; H307-P549 VanDerWaalsContact CE1-CB 3.46Å; H307-P549 WeakPolarHBondContact CE1-CB 3.5Å; H307-P549 WeakPolarHBondContact ND1-CB 3.46Å; H307-P549 WeakPolarHBondContact ND1-CG 3.44Å
308	L	90	Very high	69	Low	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-88.8	-27.5	178	-58.6	-175.9	0	0	0	112.6	I209 L212 L290 Y294 V298 P305 A306 V310 S311	I209-L308 HydrophobicContact CD1-CD2 4.06Å; I209-L308 HydrophobicContact CG1-CD2 4.16Å; L212-L308 HydrophobicContact CD1-CD2 4.18Å; L290-L308 HydrophobicContact CD1-CB 4.2Å; L290-L308 HydrophobicContact CD2-CB 4.35Å; Y294-L308 HydrophobicContact CD2-CD1 3.97Å; Y294-L308 HydrophobicContact CD2-CD2 4.04Å; Y294-L308 HydrophobicContact CE2-CD1 4.38Å; Y294-L308 HydrophobicContact CE2-CD2 3.65Å; V298-L308 HydrophobicContact CG2-CD1 3.55Å; P305-L308 HydrophobicContact CB-CD1 4.18Å; P305-L308 HydrophobicContact CB-CG 4.22Å; P305-L308 HydrophobicContact CG-CD1 4.09Å; P305-L308 WeakPolarHBondContact O-CB 3.38Å; P305-L308 PolarHBondContact O-N 3.3Å; A306-L308 PolarHBondContact O-N 3.18Å; L308-V310 PolarHBondContact O-N 3.33Å; L308-S311 PolarHBondContact O-N 3.39Å; L308-S311 PolarHBondContact O-OG 3.15Å
309	L	83.5	Confident	66.6	Low	0 Å²	0	48 Å²	48	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-16.8	-178.6	-70.1	177.5	0	0	0	114.3	V286 I304 A306 W335 L338 V546	V286-L309 HydrophobicContact CG1-CD2 4.46Å; I304-L309 HydrophobicContact CB-CD2 4.41Å; I304-L309 HydrophobicContact CB-CG 4.48Å; I304-L309 HydrophobicContact CD1-CD2 4Å; I304-L309 HydrophobicContact CG2-CD1 4.38Å; I304-L309 HydrophobicContact CG2-CD2 3.78Å; I304-L309 HydrophobicContact CG2-CG 3.8Å; A306-L309 PolarHBondContact O-N 3.32Å; L309-W335 HydrophobicContact CD1-CZ2 4.29Å; L309-W335 HydrophobicContact CD2-CD2 4.02Å; L309-W335 HydrophobicContact CD2-CG 4.18Å; L309-W335 HydrophobicContact CD2-CZ2 4.19Å; L309-L338 HydrophobicContact CD2-CD1 4.12Å; L309-V546 HydrophobicContact CD1-CB 4.33Å; L309-V546 HydrophobicContact CD1-CG1 4.03Å; L309-V546 HydrophobicContact CD1-CG2 3.3Å
310	V	63.6	Low	64.2	Low	0 Å²	0	54.9 Å²	54.9	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-5	-175.5	-68.1	0	0	0	0	111.5	M203 H307 L308 D329 N337	M203-V310 CarbonylContact C-O 3.49Å; M203-V310 HydrophobicContact CB-CB 4.42Å; M203-V310 HydrophobicContact CE-CB 4.26Å; M203-V310 HydrophobicContact CE-CG2 3.22Å; H307-V310 WeakPolarHBondContact O-CG2 3.32Å; L308-V310 PolarHBondContact O-N 3.33Å; V310-D329 WeakPolarHBondContact CB-O 3.26Å; V310-D329 WeakPolarHBondContact CG1-O 3.49Å; V310-N337 PolarHBondContact O-ND2 2.65Å
311	S	46.1	Very low	61.7	Low	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.257	C	S	.	.			trans	-77.7	130.6	-179.2	70.3	0	0	0	0	113.4	M203 L308 W313 N337 L338	M203-S311 CarbonylContact O-C 3.33Å; M203-S311 WeakPolarHBondContact O-CA 3.17Å; L308-S311 PolarHBondContact O-N 3.39Å; L308-S311 PolarHBondContact O-OG 3.15Å; S311-W313 PolarHBondContact OG-NE1 3.45Å; S311-N337 CarbonylContact O-C 3.41Å; S311-N337 VanDerWaalsContact O-C 3.28Å; S311-N337 VanDerWaalsContact O-CB 3.27Å; S311-N337 WeakPolarHBondContact O-CB 3.49Å; S311-L338 VanDerWaalsContact O-CD2 3.26Å; S311-L338 WeakPolarHBondContact O-CD2 3.36Å; S311-L338 PolarHBondContact O-N 2.9Å
312	S	42.1	Very low	58.8	Low	4 Å²	4	54.2 Å²	54.2	3%	0.028	26%	0.261	C	S	.	.			trans	-111.8	143.2	163.8	138.1	0	0	0	0	108.9	M203 A204 T205 V314 N337	M203-S312 PolarHBondContact O-N 3.41Å; M203-S312 VanDerWaalsContact O-N 3.12Å; A204-S312 CarbonylContact C-O 3.47Å; A204-S312 CarbonylContact O-C 3.24Å; A204-S312 VanDerWaalsContact O-CA 3.29Å; A204-S312 WeakPolarHBondContact O-CA 3.46Å; A204-S312 WeakPolarHBondContact O-CB 3.44Å; A204-S312 PolarHBondContact O-OG 3.46Å; T205-S312 CarbonylContact C-O 3.28Å; T205-S312 VanDerWaalsContact C-O 3.28Å; T205-S312 WeakPolarHBondContact CA-O 3.43Å; T205-S312 PolarHBondContact N-O 2.76Å; S312-V314 WeakPolarHBondContact OG-CG2 3.45Å; S312-N337 WeakPolarHBondContact CA-O 3.13Å; S312-N337 VanDerWaalsContact CB-CB 3.46Å; S312-N337 WeakPolarHBondContact CB-O 3.23Å
313	W	32.3	Very low	56.1	Low	10 Å²	10	58.8 Å²	58.8	4%	0.038	29%	0.285	C	S	.	.			trans	-120.3	68.7	-161.3	-76.2	93.2	0	0	0	110.4	T207 Q293 Y294 S311 K341	T207-W313 VanDerWaalsContact CA-CZ3 3.46Å; T207-W313 HydrophobicContact CG2-CD2 4.21Å; T207-W313 HydrophobicContact CG2-CE3 3.15Å; T207-W313 HydrophobicContact CG2-CH2 4.05Å; T207-W313 HydrophobicContact CG2-CZ3 3.04Å; Q293-W313 HydrophobicContact CG-CH2 3.54Å; Q293-W313 HydrophobicContact CG-CZ2 3.9Å; Q293-W313 HydrophobicContact CG-CZ3 4.17Å; Y294-W313 AromaticContact CE1-CH2 3.99Å; Y294-W313 HydrophobicContact CE1-CH2 3.99Å; Y294-W313 HydrophobicContact CE1-CZ2 4.38Å; Y294-W313 AromaticContact CE2-CH2 3.85Å; Y294-W313 HydrophobicContact CE2-CH2 3.85Å; Y294-W313 AromaticContact CE2-CZ2 3.4Å; Y294-W313 HydrophobicContact CE2-CZ2 3.4Å; Y294-W313 AromaticContact CZ-CH2 3.31Å; Y294-W313 AromaticContact CZ-CZ2 3.32Å; Y294-W313 WeakPolarHBondContact OH-CH2 3.29Å; Y294-W313 WeakPolarHBondContact OH-CZ2 3.12Å; S311-W313 PolarHBondContact OG-NE1 3.45Å; W313-K341 HydrophobicContact CB-CB 4.05Å; W313-K341 HydrophobicContact CB-CD 3.92Å; W313-K341 VanDerWaalsContact CB-CE 3.47Å; W313-K341 HydrophobicContact CB-CG 3Å; W313-K341 HydrophobicContact CD2-CG 4.03Å; W313-K341 HydrophobicContact CE3-CG 4.44Å; W313-K341 HydrophobicContact CG-CB 4.17Å; W313-K341 HydrophobicContact CG-CD 4.48Å; W313-K341 HydrophobicContact CG-CG 3.42Å; W313-K341 VanDerWaalsContact CG-CG 3.42Å; W313-K341 VanDerWaalsContact O-CE 3.23Å; W313-K341 WeakPolarHBondContact O-CE 3.45Å
314	V	30.8	Very low	53.2	Low	32 Å²	32	61.1 Å²	61.1	19%	0.194	30%	0.3	C	S	.	.			trans	-102.9	114.7	-174.8	-173.6	0	0	0	0	110.7	S312 A316 R319	S312-V314 WeakPolarHBondContact OG-CG2 3.45Å; V314-A316 PolarHBondContact O-N 2.97Å; V314-R319 HydrophobicContact CG1-CG 3.4Å; V314-R319 VanDerWaalsContact CG1-NE 3.35Å
315	R	32.1	Very low	50.3	Low	190 Å²	190	67.4 Å²	67.4	72%	0.717	33%	0.332	S	S	*	.			trans	-66.2	126.3	162.5	-112.2	-177	162.8	109.8	1.6	108.6	E317 K318	R315-E317 PolarHBondContact O-N 3.49Å; R315-K318 PolarHBondContact O-N 3.05Å; R315-K318 VanDerWaalsContact O-N 3.13Å
316	A	35.6	Very low	47.9	Very low	75 Å²	75	68.4 Å²	68.4	62%	0.62	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-50.5	-34.7	-173.1	0	0	0	0	0	114.3	V314 K318 R319	V314-A316 PolarHBondContact O-N 2.97Å; A316-K318 PolarHBondContact O-N 3.31Å; A316-R319 PolarHBondContact O-N 3.28Å
317	E	36.5	Very low	45.3	Very low	178 Å²	178	71 Å²	71	83%	0.832	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-70.4	-22.2	-176.5	-71.9	175.7	147.9	0	0	115	R315	R315-E317 PolarHBondContact O-N 3.49Å
318	K	39.7	Very low	43.1	Very low	166 Å²	166	71.1 Å²	71.1	72%	0.722	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-90.1	-4.7	179.6	-79.7	-169.9	176.2	-174.7	0	114.4	R315 A316 K320	R315-K318 PolarHBondContact O-N 3.05Å; R315-K318 VanDerWaalsContact O-N 3.13Å; A316-K318 PolarHBondContact O-N 3.31Å; K318-K320 VanDerWaalsContact C-N 3.26Å; K318-K320 PolarHBondContact O-N 3.4Å
319	R	40.6	Very low	41.8	Very low	117 Å²	117	72.6 Å²	72.6	44%	0.442	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-20.2	-177.1	-80.2	-175.4	-164.3	154	11.5	115.1	V314 A316 S321	V314-R319 HydrophobicContact CG1-CG 3.4Å; V314-R319 VanDerWaalsContact CG1-NE 3.35Å; A316-R319 PolarHBondContact O-N 3.28Å; R319-S321 PolarHBondContact O-N 2.9Å
320	K	40	Very low	41.4	Very low	207 Å²	207	73 Å²	73	90%	0.9	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.4	-177.2	-78.3	-175	177.5	176.6	0	113.9	K318	K318-K320 VanDerWaalsContact C-N 3.26Å; K318-K320 PolarHBondContact O-N 3.4Å
321	S	36.8	Very low	42.1	Very low	81 Å²	81	73.2 Å²	73.2	57%	0.566	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	-16	-178.2	91.8	0	0	0	0	116.1	R319	R319-S321 PolarHBondContact O-N 2.9Å
322	L	32.2	Very low	43.8	Very low	70 Å²	70	73.2 Å²	73.2	37%	0.366	37%	0.366	S	S	.	.			trans	-108	99.9	174.5	-83.2	112.1	0	0	0	108.2	V324	L322-V324 HydrophobicContact CB-CG2 4.29Å; L322-V324 HydrophobicContact CD2-CG2 4.12Å; L322-V324 PolarHBondContact O-N 3.4Å
323	N	34.9	Very low	45.7	Very low	95 Å²	95	73.7 Å²	73.7	51%	0.508	37%	0.37	S	S	.	.			trans	-69.1	55.4	167.9	-81.2	-32.6	0	0	0	110.7
324	V	32.9	Very low	48.1	Very low	51 Å²	51	75.1 Å²	75.1	31%	0.309	38%	0.378	S	S	.	.			trans	-124.1	87.4	179.8	-169.5	0	0	0	0	107	L322 R326	L322-V324 HydrophobicContact CB-CG2 4.29Å; L322-V324 HydrophobicContact CD2-CG2 4.12Å; L322-V324 PolarHBondContact O-N 3.4Å; V324-R326 HydrophobicContact CG1-CG 3.62Å; V324-R326 PolarHBondContact O-N 2.87Å
325	I	33.3	Very low	50.9	Low	131 Å²	131	73.6 Å²	73.6	67%	0.672	37%	0.369	S	S	*	.			trans	-77.8	106.3	162.6	-65.4	172.1	0	0	0	105.1	P9	P9-I325 VanDerWaalsContact CD-CD1 3.48Å; P9-I325 HydrophobicContact CG-CB 3.9Å; P9-I325 HydrophobicContact CG-CD1 3.62Å; P9-I325 HydrophobicContact CG-CG1 4.02Å
326	R	40.7	Very low	53.4	Low	27 Å²	27	65 Å²	65	10%	0.102	34%	0.337	C	S	.	.			trans	-84.9	116.7	173.7	-56.3	-172.9	172.5	144.1	9.4	107.9	A204 V324 G328 I336 N337 D340	A204-R326 WeakPolarHBondContact CB-O 3.46Å; V324-R326 HydrophobicContact CG1-CG 3.62Å; V324-R326 PolarHBondContact O-N 2.87Å; R326-G328 PolarHBondContact O-N 3.49Å; R326-I336 PolarHBondContact NE-O 3.35Å; R326-I336 PolarHBondContact NH1-O 2.96Å; R326-N337 WeakPolarHBondContact CB-OD1 3.36Å; R326-N337 WeakPolarHBondContact CD-OD1 3.42Å; R326-N337 PolarHBondContact NH1-O 2.98Å; R326-N337 VanDerWaalsContact NH1-O 3.1Å; R326-D340 IonicContact CZ-OD1 2.93Å; R326-D340 VanDerWaalsContact CZ-OD1 3.28Å; R326-D340 IonicContact NH1-OD1 2.69Å; R326-D340 PolarHBondContact NH1-OD1 2.94Å; R326-D340 IonicContact NH2-OD1 3.47Å; R326-D340 PolarHBondContact NH2-OD1 3.36Å
327	S	37.8	Very low	55.4	Low	54 Å²	54	61.5 Å²	61.5	38%	0.378	31%	0.308	S	S	.	.			trans	-66.9	116.7	165	49.6	0	0	0	0	107.2	D329	S327-D329 PolarHBondContact O-N 2.83Å
328	G	44.6	Very low	57.8	Low	6 Å²	6	53 Å²	53	6%	0.062	27%	0.268	C	S	.	.			trans	-58.2	103.7	172.4	0	0	0	0	0	109.7	A200 R326 M330 N337	A200-G328 WeakPolarHBondContact O-CA 3.34Å; A200-G328 PolarHBondContact O-N 3.44Å; R326-G328 PolarHBondContact O-N 3.49Å; G328-M330 PolarHBondContact O-N 3.25Å; G328-N337 WeakPolarHBondContact CA-ND2 3.28Å
329	D	61.1	Low	60.1	Low	30 Å²	30	45.5 Å²	45.5	16%	0.16	24%	0.235	C	C	.	.			trans	-62.3	122.6	164.5	163.4	27.5	0	0	0	107.2	V310 S327 S331 G332 S333 N334	V310-D329 WeakPolarHBondContact CB-O 3.26Å; V310-D329 WeakPolarHBondContact CG1-O 3.49Å; S327-D329 PolarHBondContact O-N 2.83Å; D329-S331 VanDerWaalsContact C-N 3.25Å; D329-S331 PolarHBondContact O-N 3.07Å; D329-S331 WeakPolarHBondContact OD1-CA 3.37Å; D329-S331 VanDerWaalsContact OD1-CB 3.3Å; D329-S331 WeakPolarHBondContact OD1-CB 3.4Å; D329-S331 PolarHBondContact OD1-N 3.16Å; D329-S331 PolarHBondContact OD1-OG 2.81Å; D329-S331 PolarHBondContact OD2-OG 3.26Å; D329-G332 VanDerWaalsContact OD2-CA 3.31Å; D329-G332 WeakPolarHBondContact OD2-CA 3.09Å; D329-G332 PolarHBondContact OD2-N 2.91Å; D329-S333 WeakPolarHBondContact OD2-CA 3.35Å; D329-S333 PolarHBondContact OD2-N 3.34Å; D329-S333 PolarHBondContact OD2-OG 3.27Å; D329-N334 PolarHBondContact OD2-N 3.03Å
330	M	75	Confident	62	Low	8 Å²	8	42.4 Å²	42.4	4%	0.039	23%	0.227	C	C	.	.	S	Bend	trans	-77.6	-10.7	178.4	-74.7	-66	-72.9	0	0	113.3	L195 L199 M203 V215 W219 R220 G328	L195-M330 HydrophobicContact CD1-CB 4.28Å; L195-M330 HydrophobicContact CD1-CG 3.29Å; L195-M330 HydrophobicContact CD1-SD 4.48Å; L199-M330 HydrophobicContact CB-SD 4.25Å; M203-M330 HydrophobicContact CB-SD 4.29Å; M203-M330 HydrophobicContact CG-CE 4.26Å; M203-M330 HydrophobicContact CG-SD 3.19Å; M203-M330 WeakPolarHBondContact CG-SD 3.5Å; M203-M330 HydrophobicContact SD-SD 4.23Å; V215-M330 HydrophobicContact CG1-CE 3.94Å; V215-M330 HydrophobicContact CG1-SD 4.42Å; W219-M330 HydrophobicContact CB-CE 3.47Å; W219-M330 VanDerWaalsContact CB-CE 3.47Å; W219-M330 HydrophobicContact CG-CE 3.76Å; R220-M330 PolarHBondContact NH1-O 2.86Å; R220-M330 PolarHBondContact NH2-O 2.9Å; G328-M330 PolarHBondContact O-N 3.25Å
331	S	78.4	Confident	63.9	Low	5 Å²	5	36.8 Å²	36.8	4%	0.035	20%	0.203	C	C	.	.	S	Bend	trans	-98.4	-22.3	-172.7	73.6	0	0	0	0	113.6	D329 S333 R540 N562	D329-S331 VanDerWaalsContact C-N 3.25Å; D329-S331 PolarHBondContact O-N 3.07Å; D329-S331 WeakPolarHBondContact OD1-CA 3.37Å; D329-S331 VanDerWaalsContact OD1-CB 3.3Å; D329-S331 WeakPolarHBondContact OD1-CB 3.4Å; D329-S331 PolarHBondContact OD1-N 3.16Å; D329-S331 PolarHBondContact OD1-OG 2.81Å; D329-S331 PolarHBondContact OD2-OG 3.26Å; S331-S333 VanDerWaalsContact C-N 3.28Å; S331-S333 WeakPolarHBondContact OG-CB 3.06Å; S331-S333 PolarHBondContact OG-N 3.43Å; S331-R540 VanDerWaalsContact O-CZ 3.28Å; S331-R540 PolarHBondContact O-NH1 3.2Å; S331-R540 PolarHBondContact O-NH2 2.96Å; S331-N562 PolarHBondContact OG-ND2 3.12Å
332	G	82.4	Confident	66.5	Low	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.			trans	69.2	31.3	-173.8	0	0	0	0	0	111.5	D329 N334 Q544	D329-G332 VanDerWaalsContact OD2-CA 3.31Å; D329-G332 WeakPolarHBondContact OD2-CA 3.09Å; D329-G332 PolarHBondContact OD2-N 2.91Å; G332-N334 VanDerWaalsContact C-N 3.27Å; G332-Q544 PolarHBondContact O-NE2 3.41Å
333	S	81.7	Confident	69.3	Low	14 Å²	14	30.6 Å²	30.6	10%	0.098	17%	0.165	C	C	.	.	S	Bend	trans	-68.4	-25.1	169.9	68.9	0	0	0	0	112.3	D329 S331 S508	D329-S333 WeakPolarHBondContact OD2-CA 3.35Å; D329-S333 PolarHBondContact OD2-N 3.34Å; D329-S333 PolarHBondContact OD2-OG 3.27Å; S331-S333 VanDerWaalsContact C-N 3.28Å; S331-S333 WeakPolarHBondContact OG-CB 3.06Å; S331-S333 PolarHBondContact OG-N 3.43Å; S333-S508 WeakPolarHBondContact O-CA 3.17Å; S333-S508 WeakPolarHBondContact O-CB 3.43Å
334	N	83.1	Confident	72.2	Confident	41 Å²	41	26.8 Å²	26.8	22%	0.219	15%	0.145	C	C	.	.			trans	-139.9	163.5	163.9	70.4	68.9	0	0	0	110.3	D329 G332 I336	D329-N334 PolarHBondContact OD2-N 3.03Å; G332-N334 VanDerWaalsContact C-N 3.27Å; N334-I336 WeakPolarHBondContact OD1-CG2 3.43Å; N334-I336 PolarHBondContact OD1-N 3.01Å
335	W	89.7	Confident	75.2	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.141	C	C	.	.			trans	-116.1	14.7	-168.7	-58.6	-11.3	0	0	0	112.7	Y279 L282 H283 V286 L309 N337 L338 L503 A507 Q544	Y279-W335 AromaticContact CE2-CH2 3.48Å; Y279-W335 HydrophobicContact CE2-CH2 3.48Å; Y279-W335 VanDerWaalsContact CE2-CH2 3.48Å; Y279-W335 AromaticContact CE2-CZ2 3.83Å; Y279-W335 HydrophobicContact CE2-CZ2 3.83Å; Y279-W335 HydrophobicContact CE2-CZ3 4.19Å; Y279-W335 AromaticContact CZ-CH2 3.58Å; Y279-W335 AromaticContact CZ-CZ2 3.84Å; Y279-W335 VanDerWaalsContact OH-CH2 3.23Å; Y279-W335 WeakPolarHBondContact OH-CH2 3.44Å; Y279-W335 WeakPolarHBondContact OH-CZ2 3.16Å; L282-W335 HydrophobicContact CD2-CE3 4.4Å; L282-W335 HydrophobicContact CD2-CZ3 4.29Å; L282-W335 HydrophobicContact CG-CE3 4.43Å; L282-W335 HydrophobicContact CG-CZ3 4.1Å; H283-W335 HydrophobicContact CB-CH2 4.12Å; H283-W335 HydrophobicContact CB-CZ3 4.48Å; H283-W335 AromaticContact CD2-CH2 3.92Å; V286-W335 HydrophobicContact CB-CE3 4.44Å; V286-W335 HydrophobicContact CB-CZ3 4.34Å; V286-W335 HydrophobicContact CG1-CE3 4.38Å; V286-W335 HydrophobicContact CG2-CE3 4.07Å; V286-W335 HydrophobicContact CG2-CZ3 4.24Å; L309-W335 HydrophobicContact CD1-CZ2 4.29Å; L309-W335 HydrophobicContact CD2-CD2 4.02Å; L309-W335 HydrophobicContact CD2-CG 4.18Å; L309-W335 HydrophobicContact CD2-CZ2 4.19Å; W335-N337 PolarHBondContact O-N 3.21Å; W335-L338 HydrophobicContact CB-CD1 4.29Å; W335-L338 WeakPolarHBondContact O-CB 3.27Å; W335-L338 PolarHBondContact O-N 3.38Å; W335-L503 HydrophobicContact CB-CB 4.29Å; W335-L503 HydrophobicContact CB-CD2 3.71Å; W335-L503 HydrophobicContact CE3-CD2 4.1Å; W335-L503 PolarHBondContact N-O 3.5Å; W335-A507 HydrophobicContact CB-CB 4.22Å; W335-A507 HydrophobicContact CD2-CB 3.49Å; W335-A507 VanDerWaalsContact CD2-CB 3.49Å; W335-A507 HydrophobicContact CE3-CB 3.72Å; W335-A507 HydrophobicContact CG-CB 3.74Å; W335-A507 HydrophobicContact CZ2-CB 4.46Å; W335-A507 HydrophobicContact CZ3-CB 4.3Å; W335-Q544 HydrophobicContact CZ2-CG 4.48Å
336	I	84.2	Confident	77.9	Confident	9 Å²	9	25.2 Å²	25.2	5%	0.046	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-58.5	-26.8	-173.4	-169.3	56.2	0	0	0	113.2	R326 N334 L338 Y339 D500 L503 R504	R326-I336 PolarHBondContact NE-O 3.35Å; R326-I336 PolarHBondContact NH1-O 2.96Å; N334-I336 WeakPolarHBondContact OD1-CG2 3.43Å; N334-I336 PolarHBondContact OD1-N 3.01Å; I336-L338 PolarHBondContact O-N 3.08Å; I336-Y339 VanDerWaalsContact O-CB 3.26Å; I336-Y339 WeakPolarHBondContact O-CB 3.36Å; I336-Y339 PolarHBondContact O-N 2.79Å; I336-Y339 VanDerWaalsContact O-N 3.13Å; I336-D500 HydrophobicContact CD1-CB 4.46Å; I336-D500 WeakPolarHBondContact CD1-OD2 3.4Å; I336-L503 HydrophobicContact CD1-CB 4.36Å; I336-R504 HydrophobicContact CB-CG 3.89Å; I336-R504 HydrophobicContact CD1-CG 3.79Å; I336-R504 HydrophobicContact CG1-CG 3.9Å; I336-R504 VanDerWaalsContact CG1-CZ 3.4Å
337	N	78.7	Confident	80.2	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-57.8	-33.8	177	-69.8	-17.5	0	0	0	112.1	V310 S311 S312 R326 G328 W335 Y339	V310-N337 PolarHBondContact O-ND2 2.65Å; S311-N337 CarbonylContact O-C 3.41Å; S311-N337 VanDerWaalsContact O-C 3.28Å; S311-N337 VanDerWaalsContact O-CB 3.27Å; S311-N337 WeakPolarHBondContact O-CB 3.49Å; S312-N337 WeakPolarHBondContact CA-O 3.13Å; S312-N337 VanDerWaalsContact CB-CB 3.46Å; S312-N337 WeakPolarHBondContact CB-O 3.23Å; R326-N337 WeakPolarHBondContact CB-OD1 3.36Å; R326-N337 WeakPolarHBondContact CD-OD1 3.42Å; R326-N337 PolarHBondContact NH1-O 2.98Å; R326-N337 VanDerWaalsContact NH1-O 3.1Å; G328-N337 WeakPolarHBondContact CA-ND2 3.28Å; W335-N337 PolarHBondContact O-N 3.21Å; N337-Y339 VanDerWaalsContact C-N 3.27Å; N337-Y339 PolarHBondContact O-N 2.61Å
338	L	86.7	Confident	82.5	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-72.1	-18.4	-178.9	-62.9	176.5	0	0	0	114.1	V286 L290 L309 S311 W335 I336 D340 K341 T342	V286-L338 HydrophobicContact CG1-CD1 3.57Å; L290-L338 HydrophobicContact CD2-CD2 4.05Å; L309-L338 HydrophobicContact CD2-CD1 4.12Å; S311-L338 VanDerWaalsContact O-CD2 3.26Å; S311-L338 WeakPolarHBondContact O-CD2 3.36Å; S311-L338 PolarHBondContact O-N 2.9Å; W335-L338 HydrophobicContact CB-CD1 4.29Å; W335-L338 WeakPolarHBondContact O-CB 3.27Å; W335-L338 PolarHBondContact O-N 3.38Å; I336-L338 PolarHBondContact O-N 3.08Å; L338-D340 VanDerWaalsContact C-N 3.27Å; L338-D340 PolarHBondContact O-N 3.41Å; L338-K341 PolarHBondContact O-N 2.03Å; L338-T342 HydrophobicContact CB-CG2 4.07Å; L338-T342 PolarHBondContact O-N 2.85Å; L338-T342 PolarHBondContact O-OG1 3.29Å
339	Y	87.1	Confident	83.9	Confident	9 Å²	9	37.1 Å²	37.1	4%	0.035	19%	0.194	C	C	.	.	H	α-helix	trans	-47.6	-45.2	-170	180	-91	0	0	0	113.9	I336 N337 K341 T342 V343 N496 Y499 D500 L503	I336-Y339 VanDerWaalsContact O-CB 3.26Å; I336-Y339 WeakPolarHBondContact O-CB 3.36Å; I336-Y339 PolarHBondContact O-N 2.79Å; I336-Y339 VanDerWaalsContact O-N 3.13Å; N337-Y339 VanDerWaalsContact C-N 3.27Å; N337-Y339 PolarHBondContact O-N 2.61Å; Y339-K341 PolarHBondContact O-N 3.38Å; Y339-K341 VanDerWaalsContact O-N 3.12Å; Y339-T342 PolarHBondContact O-N 3.47Å; Y339-V343 HydrophobicContact CE1-CB 4.43Å; Y339-V343 HydrophobicContact CE1-CG2 4.27Å; Y339-V343 HydrophobicContact CE2-CG2 4.5Å; Y339-V343 WeakPolarHBondContact O-CA 3.49Å; Y339-V343 WeakPolarHBondContact O-CB 3.39Å; Y339-V343 PolarHBondContact O-N 3.25Å; Y339-N496 VanDerWaalsContact CE2-O 3.23Å; Y339-N496 WeakPolarHBondContact CE2-O 3.46Å; Y339-N496 PolarHBondContact OH-O 2.93Å; Y339-N496 VanDerWaalsContact OH-O 3.07Å; Y339-Y499 AromaticContact CD2-CD1 3.73Å; Y339-Y499 HydrophobicContact CD2-CD1 3.73Å; Y339-Y499 HydrophobicContact CD2-CE1 4.23Å; Y339-Y499 AromaticContact CE2-CD1 3.92Å; Y339-Y499 HydrophobicContact CE2-CD1 3.92Å; Y339-D500 HydrophobicContact CD2-CB 3.98Å; Y339-D500 HydrophobicContact CE2-CB 3.66Å; Y339-L503 HydrophobicContact CD2-CD1 4.14Å
340	D	80.7	Confident	84.5	Confident	51 Å²	51	37.9 Å²	37.9	27%	0.273	20%	0.2	S	C	.	.	H	α-helix	trans	-66.4	-22.5	-171	-72.5	14.7	0	0	0	113.3	R326 L338	R326-D340 IonicContact CZ-OD1 2.93Å; R326-D340 VanDerWaalsContact CZ-OD1 3.28Å; R326-D340 IonicContact NH1-OD1 2.69Å; R326-D340 PolarHBondContact NH1-OD1 2.94Å; R326-D340 IonicContact NH2-OD1 3.47Å; R326-D340 PolarHBondContact NH2-OD1 3.36Å; L338-D340 VanDerWaalsContact C-N 3.27Å; L338-D340 PolarHBondContact O-N 3.41Å
341	K	79.5	Confident	84.7	Confident	90 Å²	90	38.7 Å²	38.7	39%	0.391	20%	0.204	S	C	.	.	H	α-helix	trans	-104.8	-28.2	176.7	-72	-67	-177.7	179.3	0	113.8	W313 L338 Y339 V343	W313-K341 HydrophobicContact CB-CB 4.05Å; W313-K341 HydrophobicContact CB-CD 3.92Å; W313-K341 VanDerWaalsContact CB-CE 3.47Å; W313-K341 HydrophobicContact CB-CG 3Å; W313-K341 HydrophobicContact CD2-CG 4.03Å; W313-K341 HydrophobicContact CE3-CG 4.44Å; W313-K341 HydrophobicContact CG-CB 4.17Å; W313-K341 HydrophobicContact CG-CD 4.48Å; W313-K341 HydrophobicContact CG-CG 3.42Å; W313-K341 VanDerWaalsContact CG-CG 3.42Å; W313-K341 VanDerWaalsContact O-CE 3.23Å; W313-K341 WeakPolarHBondContact O-CE 3.45Å; L338-K341 PolarHBondContact O-N 2.03Å; Y339-K341 PolarHBondContact O-N 3.38Å; Y339-K341 VanDerWaalsContact O-N 3.12Å; K341-V343 VanDerWaalsContact C-N 3.34Å
342	T	91.2	Very high	85	Confident	3 Å²	3	42 Å²	42	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-97.2	6.5	-179.4	65.3	0	0	0	0	111.6	Y285 Q289 L338 Y339 P344 Y499	Y285-T342 VanDerWaalsContact CE1-O 3.23Å; Y285-T342 WeakPolarHBondContact CE1-O 3.48Å; Y285-T342 PolarHBondContact OH-O 3.39Å; Q289-T342 HydrophobicContact CB-CG2 3.64Å; Q289-T342 HydrophobicContact CG-CG2 3.92Å; L338-T342 HydrophobicContact CB-CG2 4.07Å; L338-T342 PolarHBondContact O-N 2.85Å; L338-T342 PolarHBondContact O-OG1 3.29Å; Y339-T342 PolarHBondContact O-N 3.47Å; T342-P344 WeakPolarHBondContact O-CD 3.5Å; T342-Y499 WeakPolarHBondContact CB-OH 3.14Å; T342-Y499 VanDerWaalsContact O-CE1 3.23Å; T342-Y499 WeakPolarHBondContact O-CE1 3.4Å; T342-Y499 WeakPolarHBondContact OG1-CE1 3.13Å; T342-Y499 PolarHBondContact OG1-OH 2.99Å
343	V	92.6	Very high	85.4	Confident	17 Å²	17	42 Å²	42	10%	0.103	22%	0.222	C	C	.	.			trans	-57.1	125.1	177.8	60.5	0	0	0	0	110	Y339 K341 F345 P346 N496	Y339-V343 HydrophobicContact CE1-CB 4.43Å; Y339-V343 HydrophobicContact CE1-CG2 4.27Å; Y339-V343 HydrophobicContact CE2-CG2 4.5Å; Y339-V343 WeakPolarHBondContact O-CA 3.49Å; Y339-V343 WeakPolarHBondContact O-CB 3.39Å; Y339-V343 PolarHBondContact O-N 3.25Å; K341-V343 VanDerWaalsContact C-N 3.34Å; V343-F345 VanDerWaalsContact C-N 3.3Å; V343-F345 PolarHBondContact O-N 2.99Å; V343-P346 HydrophobicContact CG1-CB 4.16Å; V343-P346 HydrophobicContact CG1-CG 4.07Å; V343-N496 HydrophobicContact CG2-CB 4.24Å; V343-N496 VanDerWaalsContact CG2-ND2 3.34Å; V343-N496 WeakPolarHBondContact CG2-ND2 3.49Å; V343-N496 VanDerWaalsContact CG2-OD1 3.25Å; V343-N496 WeakPolarHBondContact CG2-OD1 3.49Å
344	P	95.2	Very high	85.9	Confident	16 Å²	16	42 Å²	42	10%	0.104	22%	0.222	C	C	.	.	S	Bend	trans	-50.6	-45.8	180	-36.9	41.2	0	0	0	114.4	T342 I495 N496 Y499 W653	T342-P344 WeakPolarHBondContact O-CD 3.5Å; P344-I495 HydrophobicContact CB-CG2 3.81Å; P344-I495 HydrophobicContact CG-CG2 3.91Å; P344-N496 WeakPolarHBondContact CB-OD1 3.34Å; P344-N496 WeakPolarHBondContact CD-OD1 3.32Å; P344-Y499 VanDerWaalsContact CD-CD1 3.43Å; P344-Y499 HydrophobicContact CG-CD1 4.17Å; P344-Y499 HydrophobicContact CG-CD2 4.28Å; P344-Y499 HydrophobicContact CG-CG 3.93Å; P344-W653 HydrophobicContact CB-CD2 4.42Å; P344-W653 HydrophobicContact CB-CE3 4.33Å; P344-W653 HydrophobicContact CB-CH2 3.38Å; P344-W653 HydrophobicContact CB-CZ2 3.48Å; P344-W653 VanDerWaalsContact CB-CZ2 3.48Å; P344-W653 HydrophobicContact CB-CZ3 3.84Å; P344-W653 HydrophobicContact CG-CE3 4.24Å; P344-W653 HydrophobicContact CG-CH2 3.66Å; P344-W653 HydrophobicContact CG-CZ2 4.25Å; P344-W653 HydrophobicContact CG-CZ3 3.66Å
345	F	94.7	Very high	86.3	Confident	48 Å²	48	42.3 Å²	42.3	21%	0.211	23%	0.23	C	C	.	.			trans	-126.9	89.3	-176.6	-59.6	-81.8	0	0	0	110.9	V343 N347 A348 E492 I495 N496 W653	V343-F345 VanDerWaalsContact C-N 3.3Å; V343-F345 PolarHBondContact O-N 2.99Å; F345-N347 PolarHBondContact O-N 2.84Å; F345-A348 HydrophobicContact CB-CB 3.86Å; F345-A348 PolarHBondContact O-N 3.47Å; F345-E492 HydrophobicContact CB-CB 3.91Å; F345-E492 HydrophobicContact CB-CG 4.39Å; F345-E492 HydrophobicContact CD1-CB 4.06Å; F345-E492 VanDerWaalsContact CD1-CD 3.44Å; F345-E492 HydrophobicContact CD1-CG 3.63Å; F345-E492 WeakPolarHBondContact CD1-OE1 3.27Å; F345-E492 HydrophobicContact CD2-CB 3.71Å; F345-E492 HydrophobicContact CD2-CG 4.04Å; F345-E492 HydrophobicContact CE1-CG 3.77Å; F345-E492 HydrophobicContact CE2-CB 4.2Å; F345-E492 HydrophobicContact CE2-CG 4.17Å; F345-E492 HydrophobicContact CG-CB 3.63Å; F345-E492 HydrophobicContact CG-CG 3.76Å; F345-E492 HydrophobicContact CZ-CG 4.03Å; F345-I495 HydrophobicContact CD2-CB 4.17Å; F345-I495 HydrophobicContact CD2-CG2 4.18Å; F345-I495 HydrophobicContact CE2-CB 3.84Å; F345-I495 HydrophobicContact CE2-CG1 4.09Å; F345-I495 HydrophobicContact CE2-CG2 3.8Å; F345-N496 PolarHBondContact N-OD1 2.88Å; F345-N496 PolarHBondContact O-ND2 3.33Å; F345-W653 AromaticContact CE2-CD1 3.99Å; F345-W653 AromaticContact CE2-NE1 3.53Å; F345-W653 AromaticContact CZ-CD1 3.77Å; F345-W653 AromaticContact CZ-NE1 3.2Å
346	P	89.9	Confident	86.5	Confident	100 Å²	100	45.1 Å²	45.1	65%	0.649	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.3	-173.4	-25.1	33.3	0	0	0	115.7	V343	V343-P346 HydrophobicContact CG1-CB 4.16Å; V343-P346 HydrophobicContact CG1-CG 4.07Å
347	N	89.5	Confident	87	Confident	160 Å²	160	44.7 Å²	44.7	86%	0.856	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-16.3	180	-63.3	-30.1	0	0	0	112.9	F345	F345-N347 PolarHBondContact O-N 2.84Å
348	A	86	Confident	87.7	Confident	13 Å²	13	50 Å²	50	11%	0.107	26%	0.263	C	S	.	.	S	Bend	trans	-90.2	115.2	175.7	0	0	0	0	0	109.2	F345 E492 N496	F345-A348 HydrophobicContact CB-CB 3.86Å; F345-A348 PolarHBondContact O-N 3.47Å; A348-E492 HydrophobicContact CB-CB 3.62Å; A348-N496 PolarHBondContact O-ND2 3.47Å
349	K	74.8	Confident	88.1	Confident	165 Å²	165	59.2 Å²	59.2	72%	0.717	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-74.2	135.8	176.8	-66.8	-175	-179.2	-178.8	0	109.5	S493	K349-S493 PolarHBondContact O-OG 2.99Å
350	P	73.4	Confident	88.4	Confident	46 Å²	46	62.6 Å²	62.6	30%	0.299	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-59.1	158.7	167.1	27	-33	0	0	0	109.8	D352	P350-D352 PolarHBondContact O-N 2.85Å; P350-D352 VanDerWaalsContact O-N 3.11Å
351	L	79.2	Confident	89.2	Confident	24 Å²	24	66.6 Å²	66.6	13%	0.126	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-59.2	117.6	178.9	179.3	59.1	0	0	0	110.3	I353 H426 N473 Y478 V487 I489	L351-I353 HydrophobicContact CD1-CG2 4.32Å; L351-H426 PolarHBondContact O-NE2 3.48Å; L351-N473 WeakPolarHBondContact CD2-OD1 3.3Å; L351-Y478 HydrophobicContact CD2-CD2 4.29Å; L351-Y478 HydrophobicContact CD2-CE2 3.66Å; L351-Y478 HydrophobicContact CG-CE2 4.32Å; L351-V487 HydrophobicContact CD1-CG2 3.71Å; L351-I489 HydrophobicContact CD1-CD1 4.37Å; L351-I489 HydrophobicContact CD1-CG1 4.29Å; L351-I489 HydrophobicContact CD2-CD1 3.53Å; L351-I489 HydrophobicContact CD2-CG1 4.29Å; L351-I489 HydrophobicContact CG-CD1 4.45Å
352	D	84.4	Confident	90	Very high	76 Å²	76	63 Å²	63	41%	0.406	32%	0.32	S	S	.	.			trans	-139.3	113.4	175.4	-177.5	-6.6	0	0	0	109.1	P350 T354 H426	P350-D352 PolarHBondContact O-N 2.85Å; P350-D352 VanDerWaalsContact O-N 3.11Å; D352-T354 VanDerWaalsContact C-N 3.34Å; D352-T354 WeakPolarHBondContact OD1-CB 3.4Å; D352-T354 PolarHBondContact OD1-N 2.78Å; D352-T354 PolarHBondContact OD1-OG1 3.5Å; D352-H426 WeakPolarHBondContact OD1-CB 3.49Å
353	I	90.9	Very high	90.2	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.341	C	S	.	.			trans	-88.6	0.7	-178.7	73.6	-179	0	0	0	113.3	L351 A355 Y356 L357 H426 F429 Y478 I483	L351-I353 HydrophobicContact CD1-CG2 4.32Å; I353-A355 VanDerWaalsContact C-N 3.26Å; I353-A355 PolarHBondContact O-N 2.97Å; I353-Y356 WeakPolarHBondContact O-CA 3.4Å; I353-Y356 WeakPolarHBondContact O-CB 3.37Å; I353-Y356 PolarHBondContact O-N 3.24Å; I353-L357 HydrophobicContact CD1-CD1 4.1Å; I353-L357 HydrophobicContact CD1-CD2 4.18Å; I353-L357 HydrophobicContact CD1-CG 4.16Å; I353-L357 HydrophobicContact CG1-CD1 3.86Å; I353-L357 HydrophobicContact CG1-CD2 4.47Å; I353-L357 HydrophobicContact CG1-CG 3.93Å; I353-L357 WeakPolarHBondContact O-CG 3.37Å; I353-L357 PolarHBondContact O-N 2.9Å; I353-H426 HydrophobicContact CG1-CB 4.03Å; I353-H426 WeakPolarHBondContact CG1-ND1 3.49Å; I353-H426 PolarHBondContact N-ND1 3.19Å; I353-F429 HydrophobicContact CD1-CB 4.36Å; I353-F429 HydrophobicContact CD1-CD1 3.74Å; I353-F429 HydrophobicContact CD1-CD2 4.44Å; I353-F429 HydrophobicContact CD1-CE1 4.11Å; I353-F429 HydrophobicContact CD1-CG 3.92Å; I353-Y478 HydrophobicContact CD1-CD1 4.19Å; I353-Y478 HydrophobicContact CD1-CE1 3.47Å; I353-Y478 VanDerWaalsContact CD1-CE1 3.47Å; I353-Y478 HydrophobicContact CG2-CD1 4.2Å; I353-Y478 HydrophobicContact CG2-CD2 4.19Å; I353-Y478 HydrophobicContact CG2-CE1 3.94Å; I353-Y478 HydrophobicContact CG2-CE2 3.94Å; I353-Y478 HydrophobicContact CG2-CG 4.33Å; I353-I483 HydrophobicContact CD1-CG2 4.24Å
354	T	92	Very high	90.5	Very high	14 Å²	14	66.5 Å²	66.5	9%	0.086	34%	0.341	C	S	.	.	H	α-helix	trans	-54.5	-43.2	-172.4	-59	0	0	0	0	111.9	D352 Y356 L357 Q358 H426	D352-T354 VanDerWaalsContact C-N 3.34Å; D352-T354 WeakPolarHBondContact OD1-CB 3.4Å; D352-T354 PolarHBondContact OD1-N 2.78Å; D352-T354 PolarHBondContact OD1-OG1 3.5Å; T354-Y356 VanDerWaalsContact C-N 3.33Å; T354-Y356 PolarHBondContact O-N 3.47Å; T354-L357 PolarHBondContact O-N 3.36Å; T354-Q358 WeakPolarHBondContact O-CB 3.46Å; T354-Q358 VanDerWaalsContact O-CG 3.3Å; T354-Q358 WeakPolarHBondContact O-CG 3.33Å; T354-Q358 PolarHBondContact O-N 3.03Å; T354-H426 PolarHBondContact OG1-N 3.13Å
355	A	91.7	Very high	90.5	Very high	47 Å²	47	69 Å²	69	39%	0.388	35%	0.354	S	S	.	.	H	α-helix	trans	-64.9	-35.9	177.1	0	0	0	0	0	112.6	I353 R359	I353-A355 VanDerWaalsContact C-N 3.26Å; I353-A355 PolarHBondContact O-N 2.97Å; A355-R359 WeakPolarHBondContact O-CB 3.44Å; A355-R359 WeakPolarHBondContact O-CG 3.32Å; A355-R359 PolarHBondContact O-N 3.41Å
356	Y	93.6	Very high	90.7	Very high	58 Å²	58	70.7 Å²	70.7	23%	0.227	36%	0.361	C	S	.	.	H	α-helix	trans	-67.8	-44.7	175.4	-67.7	-83	0	0	0	111.4	I353 T354 Q358 R359 Q360 A484 D486	I353-Y356 WeakPolarHBondContact O-CA 3.4Å; I353-Y356 WeakPolarHBondContact O-CB 3.37Å; I353-Y356 PolarHBondContact O-N 3.24Å; T354-Y356 VanDerWaalsContact C-N 3.33Å; T354-Y356 PolarHBondContact O-N 3.47Å; Y356-Q358 VanDerWaalsContact C-N 3.33Å; Y356-Q358 PolarHBondContact O-N 3.29Å; Y356-R359 PolarHBondContact O-N 2.9Å; Y356-Q360 WeakPolarHBondContact O-CB 3.37Å; Y356-Q360 WeakPolarHBondContact O-CG 3.38Å; Y356-Q360 PolarHBondContact O-N 3.17Å; Y356-A484 HydrophobicContact CD1-CB 3.77Å; Y356-A484 HydrophobicContact CD2-CB 3.92Å; Y356-A484 HydrophobicContact CE1-CB 4.09Å; Y356-A484 HydrophobicContact CE2-CB 4.19Å; Y356-A484 HydrophobicContact CG-CB 3.68Å; Y356-D486 WeakPolarHBondContact CE1-OD1 3.33Å
357	L	95.6	Very high	91	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-57	-47.8	175.2	-63.8	176.1	0	0	0	110.9	I353 T354 Q360 N361 F362 V424 F429 I483	I353-L357 HydrophobicContact CD1-CD1 4.1Å; I353-L357 HydrophobicContact CD1-CD2 4.18Å; I353-L357 HydrophobicContact CD1-CG 4.16Å; I353-L357 HydrophobicContact CG1-CD1 3.86Å; I353-L357 HydrophobicContact CG1-CD2 4.47Å; I353-L357 HydrophobicContact CG1-CG 3.93Å; I353-L357 WeakPolarHBondContact O-CG 3.37Å; I353-L357 PolarHBondContact O-N 2.9Å; T354-L357 PolarHBondContact O-N 3.36Å; L357-Q360 PolarHBondContact O-N 2.89Å; L357-N361 PolarHBondContact O-N 3.5Å; L357-F362 HydrophobicContact CB-CB 4.05Å; L357-F362 HydrophobicContact CB-CG 4.44Å; L357-F362 HydrophobicContact CD2-CB 4.24Å; L357-F362 HydrophobicContact CD2-CD1 3.91Å; L357-F362 HydrophobicContact CD2-CD2 3.96Å; L357-F362 HydrophobicContact CD2-CE1 4.2Å; L357-F362 HydrophobicContact CD2-CE2 4.25Å; L357-F362 HydrophobicContact CD2-CG 3.77Å; L357-F362 HydrophobicContact CD2-CZ 4.36Å; L357-F362 WeakPolarHBondContact O-CB 3.18Å; L357-F362 PolarHBondContact O-N 3.16Å; L357-V424 HydrophobicContact CB-CG1 3.84Å; L357-V424 HydrophobicContact CD1-CG1 4.47Å; L357-F429 HydrophobicContact CD1-CB 4.25Å; L357-F429 HydrophobicContact CD1-CD2 4.46Å; L357-F429 HydrophobicContact CD2-CD2 4.26Å; L357-I483 HydrophobicContact CD2-CG2 3.85Å
358	Q	93.6	Very high	91.4	Very high	112 Å²	112	58.3 Å²	58.3	52%	0.523	29%	0.289	S	S	.	.	H	α-helix	trans	-64	-45.2	178.8	-71.5	173.1	-7.3	0	0	112.3	T354 Y356 Q360 N361	T354-Q358 WeakPolarHBondContact O-CB 3.46Å; T354-Q358 VanDerWaalsContact O-CG 3.3Å; T354-Q358 WeakPolarHBondContact O-CG 3.33Å; T354-Q358 PolarHBondContact O-N 3.03Å; Y356-Q358 VanDerWaalsContact C-N 3.33Å; Y356-Q358 PolarHBondContact O-N 3.29Å; Q358-Q360 VanDerWaalsContact C-N 3.25Å; Q358-Q360 PolarHBondContact O-N 3.2Å; Q358-N361 PolarHBondContact O-N 3.02Å
359	R	94.2	Very high	92	Very high	195 Å²	195	62.5 Å²	62.5	74%	0.736	30%	0.303	S	S	*	.	H	α-helix	trans	-61.6	-33.3	177.4	-76.6	173.5	-175.4	-173	1.9	112.9	A355 Y356 N361	A355-R359 WeakPolarHBondContact O-CB 3.44Å; A355-R359 WeakPolarHBondContact O-CG 3.32Å; A355-R359 PolarHBondContact O-N 3.41Å; Y356-R359 PolarHBondContact O-N 2.9Å; R359-N361 VanDerWaalsContact C-N 3.27Å
360	Q	94.6	Very high	93	Very high	79 Å²	79	55.8 Å²	55.8	37%	0.369	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	9	176.4	-67.2	-160.9	34.4	0	0	113.7	Y356 L357 Q358 F362 G482 I483	Y356-Q360 WeakPolarHBondContact O-CB 3.37Å; Y356-Q360 WeakPolarHBondContact O-CG 3.38Å; Y356-Q360 PolarHBondContact O-N 3.17Å; L357-Q360 PolarHBondContact O-N 2.89Å; Q358-Q360 VanDerWaalsContact C-N 3.25Å; Q358-Q360 PolarHBondContact O-N 3.2Å; Q360-F362 HydrophobicContact CB-CD2 3.96Å; Q360-F362 HydrophobicContact CB-CE2 4.33Å; Q360-F362 PolarHBondContact O-N 3.15Å; Q360-G482 PolarHBondContact NE2-O 2.81Å; Q360-I483 PolarHBondContact NE2-O 3.13Å
361	N	95.7	Very high	94.2	Very high	135 Å²	135	53.6 Å²	53.6	72%	0.722	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	42.6	-176.5	-63.3	-40.4	0	0	0	112.8	L357 Q358 R359 T363	L357-N361 PolarHBondContact O-N 3.5Å; Q358-N361 PolarHBondContact O-N 3.02Å; R359-N361 VanDerWaalsContact C-N 3.27Å; N361-T363 PolarHBondContact O-N 3.49Å
362	F	96.3	Very high	95.1	Very high	14 Å²	14	53.2 Å²	53.2	6%	0.061	26%	0.259	C	S	.	.			trans	-60.8	130.8	173.2	-101.7	-107	0	0	0	110.4	L357 Q360 K366 M367 V424 I483	L357-F362 HydrophobicContact CB-CB 4.05Å; L357-F362 HydrophobicContact CB-CG 4.44Å; L357-F362 HydrophobicContact CD2-CB 4.24Å; L357-F362 HydrophobicContact CD2-CD1 3.91Å; L357-F362 HydrophobicContact CD2-CD2 3.96Å; L357-F362 HydrophobicContact CD2-CE1 4.2Å; L357-F362 HydrophobicContact CD2-CE2 4.25Å; L357-F362 HydrophobicContact CD2-CG 3.77Å; L357-F362 HydrophobicContact CD2-CZ 4.36Å; L357-F362 WeakPolarHBondContact O-CB 3.18Å; L357-F362 PolarHBondContact O-N 3.16Å; Q360-F362 HydrophobicContact CB-CD2 3.96Å; Q360-F362 HydrophobicContact CB-CE2 4.33Å; Q360-F362 PolarHBondContact O-N 3.15Å; F362-K366 HydrophobicContact CD1-CB 3.96Å; F362-K366 HydrophobicContact CD1-CD 3.92Å; F362-K366 HydrophobicContact CD1-CG 3.83Å; F362-K366 HydrophobicContact CD2-CD 4.01Å; F362-K366 HydrophobicContact CE1-CB 4.26Å; F362-K366 HydrophobicContact CE1-CD 3.95Å; F362-K366 HydrophobicContact CE1-CG 3.7Å; F362-K366 HydrophobicContact CE2-CD 4.03Å; F362-K366 HydrophobicContact CG-CD 3.97Å; F362-K366 HydrophobicContact CG-CG 4.39Å; F362-K366 HydrophobicContact CZ-CD 4Å; F362-K366 HydrophobicContact CZ-CG 4.13Å; F362-M367 HydrophobicContact CD1-CG 3.72Å; F362-M367 HydrophobicContact CE1-CG 4.45Å; F362-V424 HydrophobicContact CB-CG1 4.08Å; F362-V424 WeakPolarHBondContact O-CG2 3.26Å; F362-I483 HydrophobicContact CZ-CD1 4.47Å; F362-I483 HydrophobicContact CZ-CG1 4.13Å
363	T	97.3	Very high	95.7	Very high	77 Å²	77	52.1 Å²	52.1	47%	0.472	26%	0.257	S	S	.	.			trans	-96.8	164.6	165.9	63.5	0	0	0	0	109.5	N361 D365 K366 M367	N361-T363 PolarHBondContact O-N 3.49Å; T363-D365 VanDerWaalsContact C-N 3.3Å; T363-D365 PolarHBondContact O-N 2.86Å; T363-K366 PolarHBondContact O-N 2.88Å; T363-K366 WeakPolarHBondContact OG1-CB 3.27Å; T363-K366 PolarHBondContact OG1-N 3.48Å; T363-K366 VanDerWaalsContact OG1-N 3.13Å; T363-M367 WeakPolarHBondContact O-CG 3.46Å; T363-M367 PolarHBondContact O-N 2.89Å
364	V	97	Very high	96.1	Very high	17 Å²	17	52.1 Å²	52.1	10%	0.103	26%	0.257	C	S	.	.	H	α-helix	trans	-59.2	-42.2	172.8	170.7	0	0	0	0	111.2	K366 M367 V368 F393 V394 L422 V424	V364-K366 VanDerWaalsContact C-N 3.3Å; V364-K366 PolarHBondContact O-N 3.43Å; V364-M367 WeakPolarHBondContact O-CB 3.21Å; V364-M367 PolarHBondContact O-N 3.06Å; V364-M367 VanDerWaalsContact O-N 3.11Å; V364-V368 HydrophobicContact CG1-CG2 4.16Å; V364-V368 WeakPolarHBondContact O-CG2 3.37Å; V364-V368 PolarHBondContact O-N 3.4Å; V364-F393 HydrophobicContact CG1-CB 3.67Å; V364-V394 HydrophobicContact CB-CG2 3.67Å; V364-V394 HydrophobicContact CG1-CG2 3.64Å; V364-V394 HydrophobicContact CG2-CG2 3.88Å; V364-L422 HydrophobicContact CG1-CB 3.8Å; V364-L422 HydrophobicContact CG1-CD1 3.81Å; V364-L422 HydrophobicContact CG1-CG 4.36Å; V364-L422 HydrophobicContact CG2-CB 4.12Å; V364-V424 HydrophobicContact CG2-CG2 4.23Å
365	D	97	Very high	96.4	Very high	70 Å²	70	51.4 Å²	51.4	37%	0.374	25%	0.253	S	S	.	.	H	α-helix	trans	-56.5	-44.6	174.5	174.8	87.8	0	0	0	111.4	T363 M367 V368 R369	T363-D365 VanDerWaalsContact C-N 3.3Å; T363-D365 PolarHBondContact O-N 2.86Å; D365-M367 PolarHBondContact O-N 3.29Å; D365-V368 PolarHBondContact O-N 3.36Å; D365-R369 WeakPolarHBondContact O-CG 3.08Å; D365-R369 PolarHBondContact O-N 2.87Å; D365-R369 IonicContact OD1-CZ 2.77Å; D365-R369 IonicContact OD1-NE 3.09Å; D365-R369 PolarHBondContact OD1-NE 3.47Å; D365-R369 IonicContact OD1-NH2 2.81Å; D365-R369 PolarHBondContact OD1-NH2 3Å; D365-R369 WeakPolarHBondContact OD2-CD 3.29Å; D365-R369 IonicContact OD2-CZ 3.55Å; D365-R369 IonicContact OD2-NE 3.26Å; D365-R369 PolarHBondContact OD2-NE 3.44Å; D365-R369 IonicContact OD2-NH2 3.34Å
366	K	97.2	Very high	96.7	Very high	82 Å²	82	50.9 Å²	50.9	36%	0.357	25%	0.245	S	C	.	.	H	α-helix	trans	-62.6	-41.2	176.2	-166	178.6	178.4	-175.6	0	111.9	F362 T363 V364 V368 R369 T370	F362-K366 HydrophobicContact CD1-CB 3.96Å; F362-K366 HydrophobicContact CD1-CD 3.92Å; F362-K366 HydrophobicContact CD1-CG 3.83Å; F362-K366 HydrophobicContact CD2-CD 4.01Å; F362-K366 HydrophobicContact CE1-CB 4.26Å; F362-K366 HydrophobicContact CE1-CD 3.95Å; F362-K366 HydrophobicContact CE1-CG 3.7Å; F362-K366 HydrophobicContact CE2-CD 4.03Å; F362-K366 HydrophobicContact CG-CD 3.97Å; F362-K366 HydrophobicContact CG-CG 4.39Å; F362-K366 HydrophobicContact CZ-CD 4Å; F362-K366 HydrophobicContact CZ-CG 4.13Å; T363-K366 PolarHBondContact O-N 2.88Å; T363-K366 WeakPolarHBondContact OG1-CB 3.27Å; T363-K366 PolarHBondContact OG1-N 3.48Å; T363-K366 VanDerWaalsContact OG1-N 3.13Å; V364-K366 VanDerWaalsContact C-N 3.3Å; V364-K366 PolarHBondContact O-N 3.43Å; K366-V368 VanDerWaalsContact C-N 3.34Å; K366-V368 PolarHBondContact O-N 3.06Å; K366-R369 PolarHBondContact O-N 3.38Å; K366-T370 WeakPolarHBondContact O-CB 3.39Å; K366-T370 PolarHBondContact O-N 3.24Å; K366-T370 PolarHBondContact O-OG1 3.01Å
367	M	97.5	Very high	96.9	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.6	-44.5	175	-65.8	170.7	57.2	0	0	111.7	F362 T363 V364 D365 T370 A371 V424 D428 F429	F362-M367 HydrophobicContact CD1-CG 3.72Å; F362-M367 HydrophobicContact CE1-CG 4.45Å; T363-M367 WeakPolarHBondContact O-CG 3.46Å; T363-M367 PolarHBondContact O-N 2.89Å; V364-M367 WeakPolarHBondContact O-CB 3.21Å; V364-M367 PolarHBondContact O-N 3.06Å; V364-M367 VanDerWaalsContact O-N 3.11Å; D365-M367 PolarHBondContact O-N 3.29Å; M367-T370 PolarHBondContact O-N 3.35Å; M367-A371 PolarHBondContact O-N 3.33Å; M367-V424 HydrophobicContact SD-CB 4.27Å; M367-V424 HydrophobicContact SD-CG1 4.19Å; M367-V424 HydrophobicContact SD-CG2 4.2Å; M367-D428 HydrophobicContact CE-CB 4.11Å; M367-F429 HydrophobicContact CB-CD2 4.44Å; M367-F429 VanDerWaalsContact CE-CA 3.44Å; M367-F429 HydrophobicContact CE-CB 3.82Å; M367-F429 HydrophobicContact CE-CD2 4.34Å; M367-F429 VanDerWaalsContact CE-N 3.29Å; M367-F429 HydrophobicContact CG-CD2 4.26Å
368	V	97.9	Very high	97	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-67.2	-41.1	-179.4	-175.3	0	0	0	0	111	V364 D365 K366 A371 E372 W388 F393 L422 V432 M436	V364-V368 HydrophobicContact CG1-CG2 4.16Å; V364-V368 WeakPolarHBondContact O-CG2 3.37Å; V364-V368 PolarHBondContact O-N 3.4Å; D365-V368 PolarHBondContact O-N 3.36Å; K366-V368 VanDerWaalsContact C-N 3.34Å; K366-V368 PolarHBondContact O-N 3.06Å; V368-A371 WeakPolarHBondContact O-CB 3.2Å; V368-A371 PolarHBondContact O-N 2.99Å; V368-A371 VanDerWaalsContact O-N 3.17Å; V368-E372 PolarHBondContact O-N 2.71Å; V368-W388 HydrophobicContact CB-CH2 4.37Å; V368-W388 HydrophobicContact CB-CZ3 4.08Å; V368-W388 HydrophobicContact CG1-CH2 3.75Å; V368-W388 HydrophobicContact CG1-CZ3 3.57Å; V368-F393 HydrophobicContact CG1-CD1 4.01Å; V368-F393 HydrophobicContact CG1-CE1 3.65Å; V368-F393 HydrophobicContact CG1-CE2 4.32Å; V368-F393 HydrophobicContact CG1-CG 4.48Å; V368-F393 HydrophobicContact CG1-CZ 3.82Å; V368-F393 HydrophobicContact CG2-CB 4.08Å; V368-F393 HydrophobicContact CG2-CD1 3.78Å; V368-F393 HydrophobicContact CG2-CD2 4.33Å; V368-F393 HydrophobicContact CG2-CE1 4.29Å; V368-F393 HydrophobicContact CG2-CG 3.79Å; V368-L422 HydrophobicContact CG2-CD1 3.92Å; V368-V432 HydrophobicContact CB-CG2 4.29Å; V368-V432 HydrophobicContact CG1-CG2 4.27Å; V368-V432 HydrophobicContact CG2-CG2 3.95Å; V368-M436 HydrophobicContact CG1-CE 3.27Å
369	R	97.5	Very high	97.2	Very high	102 Å²	102	44.7 Å²	44.7	39%	0.385	23%	0.225	S	C	.	.	H	α-helix	trans	-66.9	-35.1	174.6	-70.2	-178.1	-167.5	-68.6	-12	113.1	D365 K366 A371 E372 S373 W388	D365-R369 WeakPolarHBondContact O-CG 3.08Å; D365-R369 PolarHBondContact O-N 2.87Å; D365-R369 IonicContact OD1-CZ 2.77Å; D365-R369 IonicContact OD1-NE 3.09Å; D365-R369 PolarHBondContact OD1-NE 3.47Å; D365-R369 IonicContact OD1-NH2 2.81Å; D365-R369 PolarHBondContact OD1-NH2 3Å; D365-R369 WeakPolarHBondContact OD2-CD 3.29Å; D365-R369 IonicContact OD2-CZ 3.55Å; D365-R369 IonicContact OD2-NE 3.26Å; D365-R369 PolarHBondContact OD2-NE 3.44Å; D365-R369 IonicContact OD2-NH2 3.34Å; K366-R369 PolarHBondContact O-N 3.38Å; R369-A371 VanDerWaalsContact C-N 3.3Å; R369-E372 PolarHBondContact O-N 3.27Å; R369-S373 WeakPolarHBondContact O-CB 3.48Å; R369-S373 PolarHBondContact O-N 3.29Å; R369-S373 PolarHBondContact O-OG 3.01Å; R369-W388 HydrophobicContact CB-CH2 4.39Å; R369-W388 HydrophobicContact CG-CH2 3.59Å; R369-W388 HydrophobicContact CG-CZ2 4.3Å; R369-W388 HydrophobicContact CG-CZ3 3.93Å
370	T	97.1	Very high	97.4	Very high	23 Å²	23	36.1 Å²	36.1	14%	0.141	19%	0.193	C	C	.	.	H	α-helix	trans	-62.7	-40.1	170.6	-62.5	0	0	0	0	110.8	K366 M367 S373 F374 F429 I483	K366-T370 WeakPolarHBondContact O-CB 3.39Å; K366-T370 PolarHBondContact O-N 3.24Å; K366-T370 PolarHBondContact O-OG1 3.01Å; M367-T370 PolarHBondContact O-N 3.35Å; T370-S373 WeakPolarHBondContact O-CB 3.22Å; T370-S373 PolarHBondContact O-N 2.92Å; T370-F374 PolarHBondContact O-N 3.5Å; T370-F374 VanDerWaalsContact O-N 3.08Å; T370-F429 HydrophobicContact CG2-CE2 3.97Å; T370-F429 HydrophobicContact CG2-CZ 3.94Å; T370-I483 HydrophobicContact CG2-CD1 3.92Å
371	A	97.8	Very high	97.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-45.2	174.1	0	0	0	0	0	112	M367 V368 R369 S373 F374 Y375 V432 H433 M436	M367-A371 PolarHBondContact O-N 3.33Å; V368-A371 WeakPolarHBondContact O-CB 3.2Å; V368-A371 PolarHBondContact O-N 2.99Å; V368-A371 VanDerWaalsContact O-N 3.17Å; R369-A371 VanDerWaalsContact C-N 3.3Å; A371-S373 VanDerWaalsContact C-N 3.28Å; A371-S373 PolarHBondContact O-N 3.36Å; A371-F374 WeakPolarHBondContact O-CB 3.48Å; A371-F374 PolarHBondContact O-N 3.03Å; A371-Y375 WeakPolarHBondContact O-CD2 3.46Å; A371-V432 HydrophobicContact CB-CG1 4.11Å; A371-V432 HydrophobicContact CB-CG2 4.19Å; A371-H433 WeakPolarHBondContact CA-NE2 3.49Å; A371-M436 HydrophobicContact CB-CG 3.82Å
372	E	98.3	Very high	97.7	Very high	17 Å²	17	40.5 Å²	40.5	8%	0.079	21%	0.211	C	C	.	.	H	α-helix	trans	-58.7	-40	171.8	-178.4	-168.4	-137.5	0	0	112	V368 R369 F374 Y375 T376 L383 W388 F440	V368-E372 PolarHBondContact O-N 2.71Å; R369-E372 PolarHBondContact O-N 3.27Å; E372-F374 PolarHBondContact O-N 3.49Å; E372-Y375 PolarHBondContact O-N 3.49Å; E372-Y375 VanDerWaalsContact O-N 3.09Å; E372-T376 HydrophobicContact CG-CG2 4.13Å; E372-T376 PolarHBondContact O-N 2.82Å; E372-T376 PolarHBondContact O-OG1 3.4Å; E372-L383 HydrophobicContact CG-CD1 4.43Å; E372-L383 HydrophobicContact CG-CG 4.43Å; E372-L383 PolarHBondContact OE1-N 2.05Å; E372-W388 HydrophobicContact CB-CZ2 4.28Å; E372-W388 HydrophobicContact CG-CZ2 4.5Å; E372-W388 WeakPolarHBondContact OE2-CZ2 3.35Å; E372-F440 HydrophobicContact CG-CZ 4.49Å
373	S	97.7	Very high	97.7	Very high	52 Å²	52	40.1 Å²	40.1	36%	0.364	21%	0.21	S	C	.	.	H	α-helix	trans	-61.2	-33.9	179.4	-60	0	0	0	0	112.1	R369 T370 A371 T376 S377	R369-S373 WeakPolarHBondContact O-CB 3.48Å; R369-S373 PolarHBondContact O-N 3.29Å; R369-S373 PolarHBondContact O-OG 3.01Å; T370-S373 WeakPolarHBondContact O-CB 3.22Å; T370-S373 PolarHBondContact O-N 2.92Å; A371-S373 VanDerWaalsContact C-N 3.28Å; A371-S373 PolarHBondContact O-N 3.36Å; S373-T376 VanDerWaalsContact CA-OG1 3.29Å; S373-T376 WeakPolarHBondContact CA-OG1 3.35Å; S373-T376 PolarHBondContact O-OG1 3.35Å; S373-S377 VanDerWaalsContact O-CB 3.27Å; S373-S377 WeakPolarHBondContact O-CB 3.46Å; S373-S377 PolarHBondContact O-N 2.83Å
374	F	98.3	Very high	97.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.9	-50.7	171.8	173.2	-93.9	0	0	0	111.2	T370 A371 E372 S377 L378 L468 S471 V472 F477 L603 Y604	T370-F374 PolarHBondContact O-N 3.5Å; T370-F374 VanDerWaalsContact O-N 3.08Å; A371-F374 WeakPolarHBondContact O-CB 3.48Å; A371-F374 PolarHBondContact O-N 3.03Å; E372-F374 PolarHBondContact O-N 3.49Å; F374-S377 WeakPolarHBondContact O-CB 3.48Å; F374-S377 PolarHBondContact O-N 3.25Å; F374-S377 PolarHBondContact O-OG 3.4Å; F374-L378 HydrophobicContact CD1-CD1 4.3Å; F374-L378 HydrophobicContact CE1-CD1 3.76Å; F374-L378 HydrophobicContact CZ-CD1 4.07Å; F374-L378 WeakPolarHBondContact O-CG 3.45Å; F374-L378 PolarHBondContact O-N 3.38Å; F374-L468 HydrophobicContact CE1-CB 4.41Å; F374-L468 HydrophobicContact CE1-CD2 4.18Å; F374-L468 HydrophobicContact CZ-CD2 4.31Å; F374-S471 WeakPolarHBondContact CZ-OG 3.28Å; F374-V472 HydrophobicContact CD2-CG2 3.86Å; F374-V472 HydrophobicContact CE2-CG2 3.78Å; F374-V472 HydrophobicContact CG-CG2 4.28Å; F374-V472 HydrophobicContact CZ-CG2 4.13Å; F374-F477 HydrophobicContact CD2-CD2 4.32Å; F374-F477 AromaticContact CD2-CE2 3.8Å; F374-F477 HydrophobicContact CD2-CE2 3.8Å; F374-L603 HydrophobicContact CZ-CB 4.31Å; F374-Y604 AromaticContact CD2-CD2 3.94Å; F374-Y604 HydrophobicContact CD2-CD2 3.94Å
375	Y	98.2	Very high	97.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.5	-40.9	-179.6	-68.5	-88.2	0	0	0	113.1	A371 E372 S377 L378 G379 F380 H433 M436 A437 F440 L468	A371-Y375 WeakPolarHBondContact O-CD2 3.46Å; E372-Y375 PolarHBondContact O-N 3.49Å; E372-Y375 VanDerWaalsContact O-N 3.09Å; Y375-S377 VanDerWaalsContact C-N 3.26Å; Y375-S377 PolarHBondContact O-N 3.46Å; Y375-L378 WeakPolarHBondContact O-CA 3.4Å; Y375-L378 WeakPolarHBondContact O-CB 3.12Å; Y375-L378 PolarHBondContact O-N 3Å; Y375-G379 PolarHBondContact O-N 3.42Å; Y375-F380 HydrophobicContact CD1-CD2 4.35Å; Y375-F380 HydrophobicContact CD1-CE2 4.44Å; Y375-F380 WeakPolarHBondContact O-CD2 3.5Å; Y375-F380 PolarHBondContact O-N 2.97Å; Y375-F380 VanDerWaalsContact O-N 3.15Å; Y375-H433 PolarHBondContact OH-O 3.06Å; Y375-M436 HydrophobicContact CD2-CB 4.15Å; Y375-M436 HydrophobicContact CE2-CB 3.46Å; Y375-M436 VanDerWaalsContact CE2-CB 3.46Å; Y375-A437 WeakPolarHBondContact OH-CA 3.11Å; Y375-A437 VanDerWaalsContact OH-CB 3.22Å; Y375-A437 WeakPolarHBondContact OH-CB 3.49Å; Y375-A437 PolarHBondContact OH-N 2.72Å; Y375-F440 VanDerWaalsContact CB-CE2 3.42Å; Y375-F440 HydrophobicContact CD1-CB 4.09Å; Y375-F440 HydrophobicContact CD1-CD1 4.47Å; Y375-F440 AromaticContact CD1-CD2 3.46Å; Y375-F440 HydrophobicContact CD1-CD2 3.46Å; Y375-F440 VanDerWaalsContact CD1-CD2 3.46Å; Y375-F440 AromaticContact CD1-CE2 4Å; Y375-F440 HydrophobicContact CD1-CE2 4Å; Y375-F440 AromaticContact CD1-CG 3.74Å; Y375-F440 HydrophobicContact CD1-CG 3.74Å; Y375-F440 AromaticContact CD2-CD2 3.47Å; Y375-F440 HydrophobicContact CD2-CD2 3.47Å; Y375-F440 VanDerWaalsContact CD2-CD2 3.47Å; Y375-F440 AromaticContact CD2-CE2 3.34Å; Y375-F440 HydrophobicContact CD2-CE2 3.34Å; Y375-F440 HydrophobicContact CD2-CZ 4.29Å; Y375-F440 HydrophobicContact CE1-CB 4.24Å; Y375-F440 AromaticContact CE1-CD2 3.88Å; Y375-F440 HydrophobicContact CE1-CD2 3.88Å; Y375-F440 HydrophobicContact CE1-CG 4.26Å; Y375-F440 AromaticContact CE2-CD2 3.94Å; Y375-F440 HydrophobicContact CE2-CD2 3.94Å; Y375-F440 HydrophobicContact CE2-CE2 4.16Å; Y375-F440 HydrophobicContact CG-CD1 4.47Å; Y375-F440 AromaticContact CG-CD2 3.26Å; Y375-F440 HydrophobicContact CG-CD2 3.26Å; Y375-F440 HydrophobicContact CG-CE1 4.47Å; Y375-F440 AromaticContact CG-CE2 3.29Å; Y375-F440 HydrophobicContact CG-CE2 3.29Å; Y375-F440 AromaticContact CG-CG 3.91Å; Y375-F440 HydrophobicContact CG-CG 3.91Å; Y375-F440 AromaticContact CG-CZ 3.93Å; Y375-F440 HydrophobicContact CG-CZ 3.93Å; Y375-L468 HydrophobicContact CE1-CD1 3.73Å; Y375-L468 WeakPolarHBondContact OH-CD1 3.09Å
376	T	98.2	Very high	97.5	Very high	36 Å²	36	43.9 Å²	43.9	22%	0.221	23%	0.229	C	C	.	.	H	α-helix	trans	-66.2	-30.8	175.8	56.2	0	0	0	0	111.8	E372 S373 L378 G379 F380 K382 K607	E372-T376 HydrophobicContact CG-CG2 4.13Å; E372-T376 PolarHBondContact O-N 2.82Å; E372-T376 PolarHBondContact O-OG1 3.4Å; S373-T376 VanDerWaalsContact CA-OG1 3.29Å; S373-T376 WeakPolarHBondContact CA-OG1 3.35Å; S373-T376 PolarHBondContact O-OG1 3.35Å; T376-L378 VanDerWaalsContact C-N 3.26Å; T376-L378 PolarHBondContact O-N 2.73Å; T376-G379 WeakPolarHBondContact O-CA 3.48Å; T376-G379 PolarHBondContact O-N 3.38Å; T376-F380 WeakPolarHBondContact CA-O 3.21Å; T376-K382 HydrophobicContact CG2-CG 3.93Å; T376-K607 PolarHBondContact O-NZ 3.02Å
377	S	98	Very high	97.5	Very high	18 Å²	18	40 Å²	40	13%	0.126	21%	0.212	C	C	.	.	H	α-helix	trans	-61	-34.8	170.1	87.2	0	0	0	0	112.1	S373 F374 Y375 G379 Y604 G605 K607	S373-S377 VanDerWaalsContact O-CB 3.27Å; S373-S377 WeakPolarHBondContact O-CB 3.46Å; S373-S377 PolarHBondContact O-N 2.83Å; F374-S377 WeakPolarHBondContact O-CB 3.48Å; F374-S377 PolarHBondContact O-N 3.25Å; F374-S377 PolarHBondContact O-OG 3.4Å; Y375-S377 VanDerWaalsContact C-N 3.26Å; Y375-S377 PolarHBondContact O-N 3.46Å; S377-G379 PolarHBondContact O-N 3.28Å; S377-Y604 WeakPolarHBondContact OG-CD2 3.31Å; S377-Y604 WeakPolarHBondContact OG-CE2 3.36Å; S377-G605 PolarHBondContact OG-N 3.17Å; S377-K607 WeakPolarHBondContact O-CD 3.48Å; S377-K607 WeakPolarHBondContact O-CE 3.42Å; S377-K607 PolarHBondContact O-NZ 2.89Å
378	L	98.4	Very high	97.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-74.6	-13.7	173.3	-56.5	176.8	0	0	0	112.5	F374 Y375 T376 F380 L603 S606 K607 V609 G610 L613	F374-L378 HydrophobicContact CD1-CD1 4.3Å; F374-L378 HydrophobicContact CE1-CD1 3.76Å; F374-L378 HydrophobicContact CZ-CD1 4.07Å; F374-L378 WeakPolarHBondContact O-CG 3.45Å; F374-L378 PolarHBondContact O-N 3.38Å; Y375-L378 WeakPolarHBondContact O-CA 3.4Å; Y375-L378 WeakPolarHBondContact O-CB 3.12Å; Y375-L378 PolarHBondContact O-N 3Å; T376-L378 VanDerWaalsContact C-N 3.26Å; T376-L378 PolarHBondContact O-N 2.73Å; L378-F380 HydrophobicContact CB-CD2 4.11Å; L378-F380 HydrophobicContact CB-CE2 4.34Å; L378-L603 HydrophobicContact CD2-CB 4.39Å; L378-L603 WeakPolarHBondContact CD2-O 3.35Å; L378-S606 WeakPolarHBondContact CD2-O 3.16Å; L378-K607 WeakPolarHBondContact O-CA 3.2Å; L378-K607 WeakPolarHBondContact O-CD 3.31Å; L378-V609 HydrophobicContact CD2-CB 4.5Å; L378-V609 HydrophobicContact CD2-CG1 4.24Å; L378-G610 VanDerWaalsContact O-CA 3.31Å; L378-G610 WeakPolarHBondContact O-CA 3.38Å; L378-L613 HydrophobicContact CD1-CD1 3.9Å
379	G	98.1	Very high	97.5	Very high	21 Å²	21	50.5 Å²	50.5	22%	0.216	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.1	25	179.9	0	0	0	0	0	114.2	Y375 T376 S377 K614	Y375-G379 PolarHBondContact O-N 3.42Å; T376-G379 WeakPolarHBondContact O-CA 3.48Å; T376-G379 PolarHBondContact O-N 3.38Å; S377-G379 PolarHBondContact O-N 3.28Å; G379-K614 PolarHBondContact O-NZ 3.45Å
380	F	98.2	Very high	97.5	Very high	16 Å²	16	48 Å²	48	7%	0.07	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-76.3	156.6	158.4	-71.5	-100.3	0	0	0	110.5	Y375 T376 L378 F440 L613 K614 M617	Y375-F380 HydrophobicContact CD1-CD2 4.35Å; Y375-F380 HydrophobicContact CD1-CE2 4.44Å; Y375-F380 WeakPolarHBondContact O-CD2 3.5Å; Y375-F380 PolarHBondContact O-N 2.97Å; Y375-F380 VanDerWaalsContact O-N 3.15Å; T376-F380 WeakPolarHBondContact CA-O 3.21Å; L378-F380 HydrophobicContact CB-CD2 4.11Å; L378-F380 HydrophobicContact CB-CE2 4.34Å; F380-F440 HydrophobicContact CB-CD1 4Å; F380-F440 HydrophobicContact CB-CE1 3.82Å; F380-F440 HydrophobicContact CD1-CB 4.42Å; F380-F440 AromaticContact CD1-CD1 3.67Å; F380-F440 HydrophobicContact CD1-CD1 3.67Å; F380-F440 HydrophobicContact CD1-CE1 4.36Å; F380-F440 HydrophobicContact CD1-CG 4.34Å; F380-F440 HydrophobicContact CE1-CB 4.38Å; F380-F440 HydrophobicContact CE1-CD1 4.43Å; F380-F440 HydrophobicContact CG-CD1 4.02Å; F380-F440 HydrophobicContact CG-CE1 4.34Å; F380-L613 HydrophobicContact CE2-CB 4.09Å; F380-L613 HydrophobicContact CE2-CD1 4.28Å; F380-L613 HydrophobicContact CZ-CB 3.8Å; F380-K614 HydrophobicContact CD1-CD 4.38Å; F380-K614 HydrophobicContact CD1-CG 3.88Å; F380-K614 HydrophobicContact CD2-CG 4.49Å; F380-K614 HydrophobicContact CE1-CD 4.46Å; F380-K614 HydrophobicContact CE1-CG 3.5Å; F380-K614 VanDerWaalsContact CE1-CG 3.5Å; F380-K614 HydrophobicContact CE2-CG 4.16Å; F380-K614 HydrophobicContact CG-CG 4.37Å; F380-K614 HydrophobicContact CZ-CG 3.65Å; F380-M617 HydrophobicContact CE1-SD 4.05Å; F380-M617 HydrophobicContact CZ-SD 3.93Å
381	D	97.1	Very high	97.5	Very high	140 Å²	140	47.6 Å²	47.6	75%	0.749	25%	0.25	S	C	*	.	P	Polyproline II helix	trans	-71.1	159.8	171.6	-62.4	-41.6	0	0	0	111.1	F440	D381-F440 WeakPolarHBondContact O-CE1 3.22Å
382	K	97.9	Very high	97.4	Very high	165 Å²	165	48.3 Å²	48.3	72%	0.717	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-65.2	151.3	170.9	-69.7	-176.9	178.3	-176.8	0	110.6	T376	T376-K382 HydrophobicContact CG2-CG 3.93Å
383	L	97.5	Very high	97.3	Very high	7 Å²	7	48.6 Å²	48.6	4%	0.037	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-68.6	141.9	173.5	-65.2	171.1	0	0	0	109.7	E372 F387 M436 T439 F440 I443	E372-L383 HydrophobicContact CG-CD1 4.43Å; E372-L383 HydrophobicContact CG-CG 4.43Å; E372-L383 PolarHBondContact OE1-N 2.05Å; L383-F387 HydrophobicContact CB-CB 4.28Å; L383-F387 HydrophobicContact CB-CD1 3.98Å; L383-F387 HydrophobicContact CB-CG 4.15Å; L383-F387 HydrophobicContact CD1-CD1 3.68Å; L383-F387 HydrophobicContact CD1-CD2 4.49Å; L383-F387 HydrophobicContact CD1-CE1 3.48Å; L383-F387 VanDerWaalsContact CD1-CE1 3.48Å; L383-F387 HydrophobicContact CD1-CE2 4.32Å; L383-F387 HydrophobicContact CD1-CG 4.21Å; L383-F387 HydrophobicContact CD1-CZ 3.82Å; L383-F387 HydrophobicContact CG-CD1 4.39Å; L383-M436 HydrophobicContact CD1-CE 3.84Å; L383-M436 HydrophobicContact CD1-SD 3.66Å; L383-T439 HydrophobicContact CD2-CG2 3.98Å; L383-F440 HydrophobicContact CD1-CE2 4.31Å; L383-F440 HydrophobicContact CD1-CZ 4.27Å; L383-F440 HydrophobicContact CD2-CE1 3.98Å; L383-F440 HydrophobicContact CD2-CE2 4.22Å; L383-F440 HydrophobicContact CD2-CZ 3.8Å; L383-F440 HydrophobicContact CG-CE1 4.39Å; L383-F440 HydrophobicContact CG-CE2 4.32Å; L383-F440 HydrophobicContact CG-CZ 3.83Å; L383-I443 HydrophobicContact CD2-CD1 3.38Å
384	P	94.8	Very high	97.1	Very high	52 Å²	52	50 Å²	50	34%	0.338	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-67.7	156.3	-177.3	29.8	-36.7	0	0	0	112	N386 F387	P384-N386 WeakPolarHBondContact CB-OD1 3.48Å; P384-N386 WeakPolarHBondContact CG-OD1 3.01Å; P384-N386 PolarHBondContact O-N 3.29Å; P384-F387 HydrophobicContact CG-CB 4.23Å; P384-F387 VanDerWaalsContact O-CB 3.23Å; P384-F387 WeakPolarHBondContact O-CB 3.38Å; P384-F387 PolarHBondContact O-N 3.15Å
385	D	96.2	Very high	96.7	Very high	142 Å²	142	54.1 Å²	54.1	76%	0.759	28%	0.276	S	S	*	.	H	α-helix	trans	-59.3	-32.8	-175.9	-68	-23	0	0	0	113.4	F387 W388 K389	D385-F387 VanDerWaalsContact C-N 3.27Å; D385-F387 PolarHBondContact O-N 3.12Å; D385-W388 PolarHBondContact O-N 2.76Å; D385-K389 PolarHBondContact O-N 2.82Å
386	N	95.7	Very high	96.3	Very high	48 Å²	48	55.3 Å²	55.3	26%	0.257	28%	0.284	S	S	.	.	H	α-helix	trans	-64.1	-30.6	176.1	65.3	-19.7	0	0	0	112.6	P384 W388 K389 N390 Q414	P384-N386 WeakPolarHBondContact CB-OD1 3.48Å; P384-N386 WeakPolarHBondContact CG-OD1 3.01Å; P384-N386 PolarHBondContact O-N 3.29Å; N386-W388 VanDerWaalsContact C-N 3.34Å; N386-W388 PolarHBondContact O-N 2.78Å; N386-K389 PolarHBondContact O-N 2.66Å; N386-N390 VanDerWaalsContact O-CB 3.27Å; N386-N390 WeakPolarHBondContact O-CB 3.49Å; N386-N390 PolarHBondContact O-N 2.85Å; N386-Q414 PolarHBondContact ND2-O 2.91Å
387	F	97.7	Very high	95.8	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-59	-48.1	173.6	173.6	-89.6	0	0	0	110.2	L383 P384 D385 S391 F393 F416 L418 M436 T439	L383-F387 HydrophobicContact CB-CB 4.28Å; L383-F387 HydrophobicContact CB-CD1 3.98Å; L383-F387 HydrophobicContact CB-CG 4.15Å; L383-F387 HydrophobicContact CD1-CD1 3.68Å; L383-F387 HydrophobicContact CD1-CD2 4.49Å; L383-F387 HydrophobicContact CD1-CE1 3.48Å; L383-F387 VanDerWaalsContact CD1-CE1 3.48Å; L383-F387 HydrophobicContact CD1-CE2 4.32Å; L383-F387 HydrophobicContact CD1-CG 4.21Å; L383-F387 HydrophobicContact CD1-CZ 3.82Å; L383-F387 HydrophobicContact CG-CD1 4.39Å; P384-F387 HydrophobicContact CG-CB 4.23Å; P384-F387 VanDerWaalsContact O-CB 3.23Å; P384-F387 WeakPolarHBondContact O-CB 3.38Å; P384-F387 PolarHBondContact O-N 3.15Å; D385-F387 VanDerWaalsContact C-N 3.27Å; D385-F387 PolarHBondContact O-N 3.12Å; F387-S391 WeakPolarHBondContact O-CB 3.33Å; F387-S391 PolarHBondContact O-N 2.89Å; F387-S391 PolarHBondContact O-OG 3.32Å; F387-F393 HydrophobicContact CD1-CZ 4.43Å; F387-F393 HydrophobicContact CE1-CE1 4.12Å; F387-F393 AromaticContact CE1-CZ 3.69Å; F387-F393 HydrophobicContact CE1-CZ 3.69Å; F387-F393 HydrophobicContact CZ-CE1 4.19Å; F387-F393 HydrophobicContact CZ-CZ 4.18Å; F387-F416 HydrophobicContact CD2-CB 4.5Å; F387-F416 VanDerWaalsContact CD2-O 3.31Å; F387-F416 WeakPolarHBondContact CD2-O 3.35Å; F387-L418 HydrophobicContact CE2-CB 3.69Å; F387-L418 HydrophobicContact CZ-CB 3.64Å; F387-L418 HydrophobicContact CZ-CD2 4.02Å; F387-L418 HydrophobicContact CZ-CG 4.49Å; F387-M436 HydrophobicContact CE1-CE 3.82Å; F387-M436 HydrophobicContact CZ-CE 3.76Å; F387-M436 HydrophobicContact CZ-SD 4.17Å; F387-T439 HydrophobicContact CD2-CG2 4.05Å; F387-T439 HydrophobicContact CE2-CG2 3.55Å; F387-T439 HydrophobicContact CZ-CG2 4.33Å
388	W	97.7	Very high	95.4	Very high	44 Å²	44	67.3 Å²	67.3	17%	0.167	34%	0.341	C	S	.	.	H	α-helix	trans	-67.9	-38.3	-179.8	-64.1	101.7	0	0	0	112.5	V368 R369 E372 D385 N386 F393	V368-W388 HydrophobicContact CB-CH2 4.37Å; V368-W388 HydrophobicContact CB-CZ3 4.08Å; V368-W388 HydrophobicContact CG1-CH2 3.75Å; V368-W388 HydrophobicContact CG1-CZ3 3.57Å; R369-W388 HydrophobicContact CB-CH2 4.39Å; R369-W388 HydrophobicContact CG-CH2 3.59Å; R369-W388 HydrophobicContact CG-CZ2 4.3Å; R369-W388 HydrophobicContact CG-CZ3 3.93Å; E372-W388 HydrophobicContact CB-CZ2 4.28Å; E372-W388 HydrophobicContact CG-CZ2 4.5Å; E372-W388 WeakPolarHBondContact OE2-CZ2 3.35Å; D385-W388 PolarHBondContact O-N 2.76Å; N386-W388 VanDerWaalsContact C-N 3.34Å; N386-W388 PolarHBondContact O-N 2.78Å; W388-F393 AromaticContact CE3-CE2 3.93Å; W388-F393 HydrophobicContact CE3-CE2 3.93Å; W388-F393 HydrophobicContact CE3-CZ 4.14Å; W388-F393 HydrophobicContact CZ3-CE2 4.18Å; W388-F393 HydrophobicContact CZ3-CZ 4.25Å
389	K	96.9	Very high	94.7	Very high	178 Å²	178	71 Å²	71	77%	0.774	36%	0.355	S	S	*	.	H	α-helix	trans	-69.2	-40.4	179.9	-175.2	-179	176.1	-176.9	0	112.8	D385 N386	D385-K389 PolarHBondContact O-N 2.82Å; N386-K389 PolarHBondContact O-N 2.66Å
390	N	97	Very high	93.8	Very high	49 Å²	49	75 Å²	75	26%	0.262	37%	0.372	S	S	.	.	H	α-helix	trans	-98.7	-16.5	-169	-62.4	-14.3	0	0	0	113.4	W98 N386 R417	W98-N390 WeakPolarHBondContact CZ2-O 3.34Å; N386-N390 VanDerWaalsContact O-CB 3.27Å; N386-N390 WeakPolarHBondContact O-CB 3.49Å; N386-N390 PolarHBondContact O-N 2.85Å; N390-R417 HydrophobicContact CB-CG 3.96Å
391	S	97.7	Very high	93.1	Very high	15 Å²	15	74.8 Å²	74.8	11%	0.105	37%	0.371	C	S	.	.			trans	-75	156.6	179.3	-66.2	0	0	0	0	112.9	F387 L418	F387-S391 WeakPolarHBondContact O-CB 3.33Å; F387-S391 PolarHBondContact O-N 2.89Å; F387-S391 PolarHBondContact O-OG 3.32Å; S391-L418 WeakPolarHBondContact CA-O 3.36Å; S391-L418 WeakPolarHBondContact CB-O 3.41Å; S391-L418 PolarHBondContact OG-N 2.9Å
392	I	95.6	Very high	91.9	Very high	15 Å²	15	68.9 Å²	68.9	8%	0.077	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-118.1	113.6	173.6	-61.5	180	0	0	0	107.6	W98 T102 V394 P396 R399 L418 K419 L420	W98-I392 HydrophobicContact CH2-CG1 4.46Å; W98-I392 HydrophobicContact CZ2-CD1 4.34Å; W98-I392 HydrophobicContact CZ2-CG1 4.2Å; T102-I392 HydrophobicContact CG2-CD1 3.51Å; I392-V394 VanDerWaalsContact CG2-O 3.25Å; I392-V394 WeakPolarHBondContact CG2-O 3.4Å; I392-P396 HydrophobicContact CG2-CG 4.32Å; I392-R399 VanDerWaalsContact CD1-NH2 3.32Å; I392-L418 PolarHBondContact N-O 3.22Å; I392-K419 CarbonylContact O-C 3.59Å; I392-K419 WeakPolarHBondContact O-CA 3.3Å; I392-L420 PolarHBondContact O-N 2.79Å; I392-L420 VanDerWaalsContact O-O 3.09Å
393	F	96.2	Very high	90.7	Very high	23 Å²	23	62.7 Å²	62.7	10%	0.101	32%	0.317	C	S	.	.			trans	-102.2	-23.9	177.9	-52.6	-61.9	0	0	0	113.1	V364 V368 F387 W388 L418 L420 L422	V364-F393 HydrophobicContact CG1-CB 3.67Å; V368-F393 HydrophobicContact CG1-CD1 4.01Å; V368-F393 HydrophobicContact CG1-CE1 3.65Å; V368-F393 HydrophobicContact CG1-CE2 4.32Å; V368-F393 HydrophobicContact CG1-CG 4.48Å; V368-F393 HydrophobicContact CG1-CZ 3.82Å; V368-F393 HydrophobicContact CG2-CB 4.08Å; V368-F393 HydrophobicContact CG2-CD1 3.78Å; V368-F393 HydrophobicContact CG2-CD2 4.33Å; V368-F393 HydrophobicContact CG2-CE1 4.29Å; V368-F393 HydrophobicContact CG2-CG 3.79Å; F387-F393 HydrophobicContact CD1-CZ 4.43Å; F387-F393 HydrophobicContact CE1-CE1 4.12Å; F387-F393 AromaticContact CE1-CZ 3.69Å; F387-F393 HydrophobicContact CE1-CZ 3.69Å; F387-F393 HydrophobicContact CZ-CE1 4.19Å; F387-F393 HydrophobicContact CZ-CZ 4.18Å; W388-F393 AromaticContact CE3-CE2 3.93Å; W388-F393 HydrophobicContact CE3-CE2 3.93Å; W388-F393 HydrophobicContact CE3-CZ 4.14Å; W388-F393 HydrophobicContact CZ3-CE2 4.18Å; W388-F393 HydrophobicContact CZ3-CZ 4.25Å; F393-L418 HydrophobicContact CE1-CB 4.17Å; F393-L418 HydrophobicContact CE1-CD2 4.21Å; F393-L418 HydrophobicContact CE1-CG 4.35Å; F393-L420 CarbonylContact C-O 3.55Å; F393-L420 HydrophobicContact CD1-CD1 4.34Å; F393-L422 WeakPolarHBondContact O-CB 3.27Å; F393-L422 PolarHBondContact O-N 3.15Å
394	V	94.1	Very high	89.6	Confident	80 Å²	80	63.6 Å²	63.6	49%	0.485	32%	0.321	S	S	.	.	S	Bend	trans	-124.5	139.4	-178.4	-177.1	0	0	0	0	108.3	V364 I392 P396	V364-V394 HydrophobicContact CB-CG2 3.67Å; V364-V394 HydrophobicContact CG1-CG2 3.64Å; V364-V394 HydrophobicContact CG2-CG2 3.88Å; I392-V394 VanDerWaalsContact CG2-O 3.25Å; I392-V394 WeakPolarHBondContact CG2-O 3.4Å; V394-P396 WeakPolarHBondContact O-CD 3.12Å
395	R	88.8	Confident	88.7	Confident	87 Å²	87	62 Å²	62	33%	0.328	31%	0.31	S	S	.	.			trans	-60.1	116.7	174.4	-179.4	173.1	179.5	99	-0.6	109.5	D400 L401 C421	R395-D400 IonicContact NH2-OD1 2.69Å; R395-D400 PolarHBondContact NH2-OD1 2.67Å; R395-D400 VanDerWaalsContact NH2-OD1 3.16Å; R395-L401 HydrophobicContact CG-CD2 4.02Å; R395-L401 PolarHBondContact NH1-O 3.27Å; R395-L401 VanDerWaalsContact NH1-O 3.16Å; R395-C421 HydrophobicContact CB-CB 4.26Å
396	P	90	Very high	88.1	Confident	26 Å²	26	56.1 Å²	56.1	17%	0.169	28%	0.28	C	S	.	.			trans	-65.8	148.6	168.2	-15.4	32.8	0	0	0	110.4	I392 V394 D398 R399 L401	I392-P396 HydrophobicContact CG2-CG 4.32Å; V394-P396 WeakPolarHBondContact O-CD 3.12Å; P396-D398 WeakPolarHBondContact CB-OD1 3.31Å; P396-R399 HydrophobicContact CB-CG 4.34Å; P396-L401 HydrophobicContact CG-CD2 4.22Å
397	M	87.2	Confident	87.8	Confident	180 Å²	180	54.6 Å²	54.6	89%	0.887	27%	0.274	S	S	*	.	S	Bend	trans	-96.4	-11.4	-178	-63.2	-63.9	-67.2	0	0	112.9
398	D	89.9	Confident	87.5	Confident	126 Å²	126	55.7 Å²	55.7	67%	0.674	28%	0.279	S	S	*	.	S	Bend	trans	-86.1	-6.5	-176.2	61.5	-44.2	0	0	0	113.7	P396	P396-D398 WeakPolarHBondContact CB-OD1 3.31Å
399	R	83.8	Confident	87.1	Confident	78 Å²	78	54 Å²	54	29%	0.294	27%	0.273	S	S	.	.	S	Bend	trans	-157.8	158.3	-175.3	65.8	-163.3	-169.1	-130.7	5.1	113.6	T102 N103 I392 P396	T102-R399 WeakPolarHBondContact O-CD 3.43Å; T102-R399 PolarHBondContact O-NE 3.01Å; N103-R399 HydrophobicContact CB-CG 4.5Å; I392-R399 VanDerWaalsContact CD1-NH2 3.32Å; P396-R399 HydrophobicContact CB-CG 4.34Å
400	D	79.2	Confident	86.9	Confident	105 Å²	105	45.6 Å²	45.6	56%	0.561	24%	0.236	S	C	*	.			trans	-86.6	140.3	172.1	-76.6	-46.2	0	0	0	112.6	N103 M104 R395	N103-D400 CarbonylContact C-O 3.56Å; N103-D400 WeakPolarHBondContact CA-O 3.18Å; M104-D400 HydrophobicContact CB-CB 4.5Å; M104-D400 PolarHBondContact N-O 3.21Å; R395-D400 IonicContact NH2-OD1 2.69Å; R395-D400 PolarHBondContact NH2-OD1 2.67Å; R395-D400 VanDerWaalsContact NH2-OD1 3.16Å
401	L	83.2	Confident	86.5	Confident	10 Å²	10	45.1 Å²	45.1	5%	0.052	23%	0.232	C	C	.	.			trans	-152.8	162.1	179.5	79	118.2	0	0	0	112	L101 R395 P396 C403 K419	L101-L401 WeakPolarHBondContact O-CB 3.18Å; R395-L401 HydrophobicContact CG-CD2 4.02Å; R395-L401 PolarHBondContact NH1-O 3.27Å; R395-L401 VanDerWaalsContact NH1-O 3.16Å; P396-L401 HydrophobicContact CG-CD2 4.22Å; L401-C403 PolarHBondContact O-N 3.18Å; L401-K419 HydrophobicContact CD1-CD 4.46Å
402	V	72	Confident	86.1	Confident	16 Å²	16	47.1 Å²	47.1	10%	0.097	24%	0.241	C	C	.	.			trans	-82.2	112.8	173.7	175.5	0	0	0	0	109.4	L21 L25 L101 M104 F404 K419	L21-V402 HydrophobicContact CD2-CB 4.48Å; L21-V402 HydrophobicContact CD2-CG1 3.54Å; L21-V402 HydrophobicContact CD2-CG2 4.1Å; L25-V402 HydrophobicContact CD1-CG2 4.27Å; L101-V402 HydrophobicContact CD2-CB 4Å; L101-V402 HydrophobicContact CD2-CG1 4.47Å; L101-V402 HydrophobicContact CD2-CG2 3.71Å; L101-V402 PolarHBondContact O-N 2.63Å; M104-V402 HydrophobicContact SD-CG2 3.75Å; V402-F404 HydrophobicContact CG1-CB 3.91Å; V402-F404 PolarHBondContact O-N 3.12Å; V402-K419 PolarHBondContact O-NZ 3.44Å
403	C	74.5	Confident	85.9	Confident	36 Å²	36	47.1 Å²	47.1	24%	0.243	25%	0.246	C	C	.	.			trans	-80.5	5.8	-177.1	-88.2	0	0	0	0	115.7	L401 C421	L401-C403 PolarHBondContact O-N 3.18Å; C403-C421 WeakPolarHBondContact CA-SG 3.2Å; C403-C421 HydrophobicContact CB-CB 3.66Å; C403-C421 WeakPolarHBondContact CB-SG 3.43Å; C403-C421 WeakPolarHBondContact SG-CB 3.14Å; C403-C421 CovalentContact SG-SG 2.05Å; C403-C421 PolarHBondContact SG-SG 3.45Å
404	F	72.5	Confident	85.8	Confident	26 Å²	26	52.7 Å²	52.7	11%	0.114	27%	0.272	C	S	.	.	S	Bend	trans	-65.4	129.9	178.1	-175.4	-93.2	0	0	0	111.6	M13 Q14 V18 V402 T406 K419	M13-F404 VanDerWaalsContact C-CE2 3.46Å; M13-F404 HydrophobicContact CB-CD2 4.21Å; M13-F404 HydrophobicContact CB-CE2 3.49Å; M13-F404 VanDerWaalsContact CB-CE2 3.49Å; M13-F404 HydrophobicContact CB-CZ 4.34Å; M13-F404 WeakPolarHBondContact O-CE2 3.47Å; M13-F404 WeakPolarHBondContact O-CZ 3.41Å; Q14-F404 VanDerWaalsContact O-CZ 3.25Å; Q14-F404 WeakPolarHBondContact O-CZ 3.46Å; V18-F404 HydrophobicContact CG2-CD1 3.29Å; V18-F404 HydrophobicContact CG2-CE1 3.37Å; V18-F404 HydrophobicContact CG2-CG 4.44Å; V402-F404 HydrophobicContact CG1-CB 3.91Å; V402-F404 PolarHBondContact O-N 3.12Å; F404-T406 PolarHBondContact O-N 3.02Å; F404-T406 PolarHBondContact O-OG1 3.13Å; F404-K419 PolarHBondContact O-NZ 2.96Å
405	P	77.9	Confident	85.9	Confident	17 Å²	17	49.5 Å²	49.5	11%	0.11	25%	0.252	C	S	.	.			trans	-58.4	128.7	179.8	-28.5	37.8	0	0	0	113.4	K419 L420 L431 E435	P405-K419 WeakPolarHBondContact CA-O 3.25Å; P405-L420 HydrophobicContact CB-CD2 3.6Å; P405-L420 HydrophobicContact CG-CD2 4.21Å; P405-L431 HydrophobicContact CB-CD1 4.31Å; P405-L431 HydrophobicContact CG-CD1 4.07Å; P405-L431 HydrophobicContact CG-CD2 3.87Å; P405-L431 HydrophobicContact CG-CG 4.44Å; P405-E435 HydrophobicContact CB-CG 4Å
406	T	81.9	Confident	86.2	Confident	19 Å²	19	45.5 Å²	45.5	12%	0.117	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	128.9	-179.2	-46.6	0	0	0	0	112.2	V18 F404 F408 K419	V18-T406 HydrophobicContact CG2-CG2 4.13Å; V18-T406 WeakPolarHBondContact CG2-OG1 3.31Å; F404-T406 PolarHBondContact O-N 3.02Å; F404-T406 PolarHBondContact O-OG1 3.13Å; T406-F408 HydrophobicContact CG2-CD2 3.96Å; T406-F408 HydrophobicContact CG2-CE1 4.38Å; T406-F408 HydrophobicContact CG2-CE2 3.49Å; T406-F408 VanDerWaalsContact CG2-CE2 3.49Å; T406-F408 HydrophobicContact CG2-CZ 3.72Å; T406-K419 PolarHBondContact N-O 2.99Å; T406-K419 PolarHBondContact O-N 3.35Å
407	A	89.4	Confident	86.5	Confident	16 Å²	16	45.1 Å²	45.1	13%	0.132	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	128.5	168.4	0	0	0	0	0	110.4	L418 N438 Q442	A407-L418 HydrophobicContact CB-CD1 4.14Å; A407-N438 HydrophobicContact CB-CB 3.8Å; A407-Q442 PolarHBondContact O-NE2 2.83Å
408	F	92.6	Very high	86.9	Confident	23 Å²	23	36.5 Å²	36.5	10%	0.101	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.7	-176.1	-69.6	-99.8	0	0	0	111.3	T94 W98 L101 T406 F410 F416 R417 K419 Q442	T94-F408 HydrophobicContact CG2-CD1 3.95Å; W98-F408 HydrophobicContact CE3-CD1 4.35Å; W98-F408 AromaticContact CE3-CD2 3.65Å; W98-F408 HydrophobicContact CE3-CD2 3.65Å; W98-F408 HydrophobicContact CE3-CE1 4.46Å; W98-F408 AromaticContact CE3-CE2 3.76Å; W98-F408 HydrophobicContact CE3-CE2 3.76Å; W98-F408 AromaticContact CE3-CG 3.96Å; W98-F408 HydrophobicContact CE3-CG 3.96Å; W98-F408 HydrophobicContact CE3-CZ 4.18Å; W98-F408 AromaticContact CZ3-CD2 3.61Å; W98-F408 HydrophobicContact CZ3-CD2 3.61Å; W98-F408 AromaticContact CZ3-CE2 3.82Å; W98-F408 HydrophobicContact CZ3-CE2 3.82Å; W98-F408 HydrophobicContact CZ3-CG 4.29Å; L101-F408 HydrophobicContact CD1-CE1 4.23Å; L101-F408 HydrophobicContact CD1-CZ 3.79Å; T406-F408 HydrophobicContact CG2-CD2 3.96Å; T406-F408 HydrophobicContact CG2-CE1 4.38Å; T406-F408 HydrophobicContact CG2-CE2 3.49Å; T406-F408 VanDerWaalsContact CG2-CE2 3.49Å; T406-F408 HydrophobicContact CG2-CZ 3.72Å; F408-F410 HydrophobicContact CB-CD2 4.18Å; F408-F410 HydrophobicContact CB-CE2 3.71Å; F408-F410 HydrophobicContact CG-CE2 4.47Å; F408-F416 VanDerWaalsContact O-CA 3.3Å; F408-F416 WeakPolarHBondContact O-CA 3.47Å; F408-R417 HydrophobicContact CB-CB 4.39Å; F408-R417 PolarHBondContact N-O 2.94Å; F408-R417 PolarHBondContact O-N 2.73Å; F408-K419 HydrophobicContact CE2-CB 4.05Å; F408-Q442 PolarHBondContact O-OE1 3.3Å
409	D	89.3	Confident	87	Confident	10 Å²	10	30.6 Å²	30.6	5%	0.053	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	112.9	166.9	168.4	12.6	0	0	0	107.8	K411 F416 Q442	D409-K411 PolarHBondContact O-N 3.07Å; D409-K411 WeakPolarHBondContact OD1-CA 3.23Å; D409-K411 PolarHBondContact OD1-N 3.23Å; D409-K411 WeakPolarHBondContact OD2-CD 3.43Å; D409-K411 WeakPolarHBondContact OD2-CE 3.36Å; D409-K411 IonicContact OD2-NZ 3.12Å; D409-K411 PolarHBondContact OD2-NZ 2.89Å; D409-F416 HydrophobicContact CB-CD1 4.16Å; D409-F416 HydrophobicContact CB-CE1 4.14Å; D409-Q442 HydrophobicContact CB-CB 4.2Å; D409-Q442 HydrophobicContact CB-CG 4.04Å
410	F	92.6	Very high	87.2	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.144	C	C	.	.			trans	-78.8	8.4	-178.3	-78	-107.9	0	0	0	113.1	Y91 T94 E95 W98 F408 N412 D415 R417	Y91-F410 WeakPolarHBondContact CA-O 3.42Å; Y91-F410 HydrophobicContact CD2-CB 4.04Å; Y91-F410 HydrophobicContact CD2-CD1 4.06Å; Y91-F410 HydrophobicContact CE2-CB 4.46Å; Y91-F410 AromaticContact CE2-CD1 4Å; Y91-F410 HydrophobicContact CE2-CD1 4Å; T94-F410 HydrophobicContact CG2-CD1 3.95Å; T94-F410 HydrophobicContact CG2-CD2 4.07Å; T94-F410 HydrophobicContact CG2-CE1 3.99Å; T94-F410 HydrophobicContact CG2-CE2 4.09Å; T94-F410 HydrophobicContact CG2-CG 3.98Å; T94-F410 HydrophobicContact CG2-CZ 4.05Å; E95-F410 HydrophobicContact CB-CD1 4.44Å; E95-F410 HydrophobicContact CB-CE1 4Å; E95-F410 WeakPolarHBondContact OE2-CE1 3.26Å; W98-F410 HydrophobicContact CB-CE1 4.38Å; W98-F410 HydrophobicContact CB-CZ 3.84Å; W98-F410 HydrophobicContact CD2-CZ 4.24Å; W98-F410 HydrophobicContact CE3-CZ 4.4Å; W98-F410 AromaticContact CG-CZ 3.99Å; W98-F410 HydrophobicContact CG-CZ 3.99Å; F408-F410 HydrophobicContact CB-CD2 4.18Å; F408-F410 HydrophobicContact CB-CE2 3.71Å; F408-F410 HydrophobicContact CG-CE2 4.47Å; F410-N412 PolarHBondContact O-N 3.31Å; F410-D415 HydrophobicContact CB-CB 3.96Å; F410-D415 WeakPolarHBondContact CB-O 3.2Å; F410-D415 HydrophobicContact CD2-CB 4.33Å; F410-D415 WeakPolarHBondContact CD2-O 3.42Å; F410-D415 HydrophobicContact CG-CB 4.14Å; F410-D415 PolarHBondContact N-O 3.4Å; F410-R417 HydrophobicContact CD2-CG 4.3Å; F410-R417 HydrophobicContact CE2-CB 4.09Å; F410-R417 VanDerWaalsContact CE2-CD 3.43Å; F410-R417 HydrophobicContact CE2-CG 3.6Å; F410-R417 HydrophobicContact CZ-CG 4.25Å
411	K	87.3	Confident	87.6	Confident	39 Å²	39	22.9 Å²	22.9	17%	0.17	12%	0.124	C	C	.	.	S	Bend	trans	61.6	5.2	174.6	-55.7	-61.3	175	-166.5	0	116.2	Y90 D409 R453	Y90-K411 HydrophobicContact CD2-CG 4.36Å; Y90-K411 HydrophobicContact CG-CG 4.4Å; D409-K411 PolarHBondContact O-N 3.07Å; D409-K411 WeakPolarHBondContact OD1-CA 3.23Å; D409-K411 PolarHBondContact OD1-N 3.23Å; D409-K411 WeakPolarHBondContact OD2-CD 3.43Å; D409-K411 WeakPolarHBondContact OD2-CE 3.36Å; D409-K411 IonicContact OD2-NZ 3.12Å; D409-K411 PolarHBondContact OD2-NZ 2.89Å; K411-R453 PolarHBondContact NZ-O 3.17Å; K411-R453 PolarHBondContact O-NH1 3.12Å
412	N	91.2	Very high	87.8	Confident	57 Å²	57	22.7 Å²	22.7	31%	0.305	12%	0.123	S	C	.	.	S	Bend	trans	-91.1	-0.9	172.9	67.7	10.4	0	0	0	113.9	F410 Q414 D415	F410-N412 PolarHBondContact O-N 3.31Å; N412-Q414 PolarHBondContact O-N 2.91Å; N412-Q414 PolarHBondContact OD1-N 3.25Å; N412-D415 PolarHBondContact OD1-N 2.83Å
413	G	91.2	Very high	88.7	Confident	16 Å²	16	26.4 Å²	26.4	17%	0.165	14%	0.138	C	C	.	.	S	Bend	trans	73.8	6.2	179.9	0	0	0	0	0	115.3
414	Q	93.8	Very high	89.7	Confident	140 Å²	140	26.5 Å²	26.5	65%	0.654	14%	0.137	S	C	*	.	S	Bend	trans	-127.8	-39.1	-174.1	-62	-179.8	44.7	0	0	113.1	N386 N412	N386-Q414 PolarHBondContact ND2-O 2.91Å; N412-Q414 PolarHBondContact O-N 2.91Å; N412-Q414 PolarHBondContact OD1-N 3.25Å
415	D	96.1	Very high	90.6	Very high	13 Å²	13	26.1 Å²	26.1	7%	0.07	14%	0.137	C	C	.	.			trans	-102.9	113	-174.5	-165.5	-4.5	0	0	0	110.7	F410 N412 R417	F410-D415 HydrophobicContact CB-CB 3.96Å; F410-D415 WeakPolarHBondContact CB-O 3.2Å; F410-D415 HydrophobicContact CD2-CB 4.33Å; F410-D415 WeakPolarHBondContact CD2-O 3.42Å; F410-D415 HydrophobicContact CG-CB 4.14Å; F410-D415 PolarHBondContact N-O 3.4Å; N412-D415 PolarHBondContact OD1-N 2.83Å; D415-R417 VanDerWaalsContact OD1-CG 3.32Å; D415-R417 WeakPolarHBondContact OD1-CG 3.37Å; D415-R417 IonicContact OD1-CZ 3.4Å; D415-R417 IonicContact OD1-NE 2.78Å; D415-R417 PolarHBondContact OD1-NE 3.32Å; D415-R417 IonicContact OD1-NH2 3.94Å; D415-R417 IonicContact OD2-CZ 3.86Å; D415-R417 IonicContact OD2-NE 3Å; D415-R417 PolarHBondContact OD2-NE 3.33Å; D415-R417 IonicContact OD2-NH2 3.37Å; D415-R417 PolarHBondContact OD2-NH2 3.42Å
416	F	95.1	Very high	91.1	Very high	3 Å²	3	25.9 Å²	25.9	1%	0.013	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.9	175	-57	-89.6	0	0	0	106.8	F387 F408 D409 Q442 I443 K446	F387-F416 HydrophobicContact CD2-CB 4.5Å; F387-F416 VanDerWaalsContact CD2-O 3.31Å; F387-F416 WeakPolarHBondContact CD2-O 3.35Å; F408-F416 VanDerWaalsContact O-CA 3.3Å; F408-F416 WeakPolarHBondContact O-CA 3.47Å; D409-F416 HydrophobicContact CB-CD1 4.16Å; D409-F416 HydrophobicContact CB-CE1 4.14Å; F416-Q442 HydrophobicContact CD1-CB 3.94Å; F416-Q442 HydrophobicContact CE1-CB 3.95Å; F416-I443 HydrophobicContact CD1-CG1 3.97Å; F416-I443 HydrophobicContact CD2-CD1 4.39Å; F416-I443 HydrophobicContact CD2-CG1 3.78Å; F416-I443 HydrophobicContact CE1-CG1 4.06Å; F416-I443 HydrophobicContact CE2-CG1 3.87Å; F416-I443 HydrophobicContact CG-CD1 4.44Å; F416-I443 HydrophobicContact CG-CG1 3.83Å; F416-I443 HydrophobicContact CZ-CG1 4.01Å; F416-K446 HydrophobicContact CE2-CD 4.41Å; F416-K446 HydrophobicContact CZ-CB 3.95Å; F416-K446 HydrophobicContact CZ-CD 4.22Å
417	R	96.8	Very high	91.4	Very high	17 Å²	17	29 Å²	29	6%	0.064	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	149.8	-177.2	-53.2	-176.7	-167.7	167.2	8	110.6	E95 W98 N390 F408 F410 D415	E95-R417 IonicContact OE1-NH1 3.44Å; E95-R417 IonicContact OE2-CZ 3.14Å; E95-R417 VanDerWaalsContact OE2-CZ 3.31Å; E95-R417 IonicContact OE2-NH1 3.31Å; E95-R417 PolarHBondContact OE2-NH1 2.97Å; E95-R417 IonicContact OE2-NH2 2.98Å; E95-R417 PolarHBondContact OE2-NH2 3Å; W98-R417 HydrophobicContact CE3-CB 4.05Å; W98-R417 HydrophobicContact CH2-CB 3.69Å; W98-R417 HydrophobicContact CH2-CG 4.45Å; W98-R417 HydrophobicContact CZ2-CB 4.39Å; W98-R417 HydrophobicContact CZ3-CB 3.47Å; W98-R417 VanDerWaalsContact CZ3-CB 3.47Å; W98-R417 HydrophobicContact CZ3-CG 4.4Å; W98-R417 VanDerWaalsContact NE1-NH1 3.14Å; N390-R417 HydrophobicContact CB-CG 3.96Å; F408-R417 HydrophobicContact CB-CB 4.39Å; F408-R417 PolarHBondContact N-O 2.94Å; F408-R417 PolarHBondContact O-N 2.73Å; F410-R417 HydrophobicContact CD2-CG 4.3Å; F410-R417 HydrophobicContact CE2-CB 4.09Å; F410-R417 VanDerWaalsContact CE2-CD 3.43Å; F410-R417 HydrophobicContact CE2-CG 3.6Å; F410-R417 HydrophobicContact CZ-CG 4.25Å; D415-R417 VanDerWaalsContact OD1-CG 3.32Å; D415-R417 WeakPolarHBondContact OD1-CG 3.37Å; D415-R417 IonicContact OD1-CZ 3.4Å; D415-R417 IonicContact OD1-NE 2.78Å; D415-R417 PolarHBondContact OD1-NE 3.32Å; D415-R417 IonicContact OD1-NH2 3.94Å; D415-R417 IonicContact OD2-CZ 3.86Å; D415-R417 IonicContact OD2-NE 3Å; D415-R417 PolarHBondContact OD2-NE 3.33Å; D415-R417 IonicContact OD2-NH2 3.37Å; D415-R417 PolarHBondContact OD2-NH2 3.42Å
418	L	94.5	Very high	91.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126	176.1	-176.2	53.4	0	0	0	109.3	F387 S391 I392 F393 A407 L420 E435 M436	F387-L418 HydrophobicContact CE2-CB 3.69Å; F387-L418 HydrophobicContact CZ-CB 3.64Å; F387-L418 HydrophobicContact CZ-CD2 4.02Å; F387-L418 HydrophobicContact CZ-CG 4.49Å; S391-L418 WeakPolarHBondContact CA-O 3.36Å; S391-L418 WeakPolarHBondContact CB-O 3.41Å; S391-L418 PolarHBondContact OG-N 2.9Å; I392-L418 PolarHBondContact N-O 3.22Å; F393-L418 HydrophobicContact CE1-CB 4.17Å; F393-L418 HydrophobicContact CE1-CD2 4.21Å; F393-L418 HydrophobicContact CE1-CG 4.35Å; A407-L418 HydrophobicContact CB-CD1 4.14Å; L418-L420 HydrophobicContact CD1-CD1 4.16Å; L418-L420 HydrophobicContact CD1-CD2 4.15Å; L418-L420 HydrophobicContact CD1-CG 4Å; L418-L420 HydrophobicContact CD2-CD1 3.68Å; L418-L420 HydrophobicContact CD2-CG 4.37Å; L418-L420 HydrophobicContact CG-CD1 3.7Å; L418-L420 HydrophobicContact CG-CG 3.84Å; L418-E435 HydrophobicContact CD1-CB 3.88Å; L418-E435 HydrophobicContact CD2-CB 4.5Å; L418-M436 HydrophobicContact CD2-CE 4.1Å; L418-M436 HydrophobicContact CD2-SD 4.27Å
419	K	92	Very high	91.5	Very high	1 Å²	1	28.1 Å²	28.1	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	115.5	176.2	-177.5	179	62.6	73.1	0	109.3	W98 L101 T102 I392 L401 V402 F404 P405 T406 F408	W98-K419 HydrophobicContact CH2-CB 4.24Å; W98-K419 HydrophobicContact CZ3-CB 3.97Å; L101-K419 HydrophobicContact CB-CD 4.46Å; T102-K419 HydrophobicContact CG2-CD 3.85Å; I392-K419 CarbonylContact O-C 3.59Å; I392-K419 WeakPolarHBondContact O-CA 3.3Å; L401-K419 HydrophobicContact CD1-CD 4.46Å; V402-K419 PolarHBondContact O-NZ 3.44Å; F404-K419 PolarHBondContact O-NZ 2.96Å; P405-K419 WeakPolarHBondContact CA-O 3.25Å; T406-K419 PolarHBondContact N-O 2.99Å; T406-K419 PolarHBondContact O-N 3.35Å; F408-K419 HydrophobicContact CE2-CB 4.05Å
420	L	87.4	Confident	91.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.			trans	-140	162.1	-179.9	-57	169.8	0	0	0	109.6	I392 F393 P405 L418 L422 V432 E435	I392-L420 PolarHBondContact O-N 2.79Å; I392-L420 VanDerWaalsContact O-O 3.09Å; F393-L420 CarbonylContact C-O 3.55Å; F393-L420 HydrophobicContact CD1-CD1 4.34Å; P405-L420 HydrophobicContact CB-CD2 3.6Å; P405-L420 HydrophobicContact CG-CD2 4.21Å; L418-L420 HydrophobicContact CD1-CD1 4.16Å; L418-L420 HydrophobicContact CD1-CD2 4.15Å; L418-L420 HydrophobicContact CD1-CG 4Å; L418-L420 HydrophobicContact CD2-CD1 3.68Å; L418-L420 HydrophobicContact CD2-CG 4.37Å; L418-L420 HydrophobicContact CG-CD1 3.7Å; L418-L420 HydrophobicContact CG-CG 3.84Å; L420-L422 HydrophobicContact CB-CD1 4.36Å; L420-L422 HydrophobicContact CB-CD2 4.09Å; L420-L422 HydrophobicContact CB-CG 3.78Å; L420-L422 HydrophobicContact CD1-CD1 3.79Å; L420-L422 HydrophobicContact CD1-CD2 4.08Å; L420-L422 HydrophobicContact CD1-CG 4.01Å; L420-L422 HydrophobicContact CG-CG 4.47Å; L420-V432 HydrophobicContact CD1-CB 4.45Å; L420-V432 HydrophobicContact CD1-CG2 4.05Å; L420-E435 HydrophobicContact CD2-CB 4.22Å; L420-E435 HydrophobicContact CD2-CG 3.96Å
421	C	88.4	Confident	91.6	Very high	22 Å²	22	30.8 Å²	30.8	15%	0.149	16%	0.159	C	C	.	.			trans	-127.2	59.9	170.9	-68.7	0	0	0	0	109.6	R395 C403	R395-C421 HydrophobicContact CB-CB 4.26Å; C403-C421 WeakPolarHBondContact CA-SG 3.2Å; C403-C421 HydrophobicContact CB-CB 3.66Å; C403-C421 WeakPolarHBondContact CB-SG 3.43Å; C403-C421 WeakPolarHBondContact SG-CB 3.14Å; C403-C421 CovalentContact SG-SG 2.05Å; C403-C421 PolarHBondContact SG-SG 3.45Å
422	L	88.3	Confident	92	Very high	6 Å²	6	28.9 Å²	28.9	3%	0.031	15%	0.15	C	C	.	.			trans	-70.5	147.5	-171.7	-57.8	174.2	0	0	0	112.1	V364 V368 F393 L420 D428 L431 V432	V364-L422 HydrophobicContact CG1-CB 3.8Å; V364-L422 HydrophobicContact CG1-CD1 3.81Å; V364-L422 HydrophobicContact CG1-CG 4.36Å; V364-L422 HydrophobicContact CG2-CB 4.12Å; V368-L422 HydrophobicContact CG2-CD1 3.92Å; F393-L422 WeakPolarHBondContact O-CB 3.27Å; F393-L422 PolarHBondContact O-N 3.15Å; L420-L422 HydrophobicContact CB-CD1 4.36Å; L420-L422 HydrophobicContact CB-CD2 4.09Å; L420-L422 HydrophobicContact CB-CG 3.78Å; L420-L422 HydrophobicContact CD1-CD1 3.79Å; L420-L422 HydrophobicContact CD1-CD2 4.08Å; L420-L422 HydrophobicContact CD1-CG 4.01Å; L420-L422 HydrophobicContact CG-CG 4.47Å; L422-D428 HydrophobicContact CB-CB 4.44Å; L422-D428 HydrophobicContact CD2-CB 3.93Å; L422-L431 HydrophobicContact CD2-CD2 4.1Å; L422-L431 HydrophobicContact CD2-CG 4.5Å; L422-V432 HydrophobicContact CD1-CB 3.89Å; L422-V432 HydrophobicContact CD1-CG2 3.97Å; L422-V432 HydrophobicContact CD2-CB 4.43Å
423	K	90.6	Very high	92.2	Very high	94 Å²	94	26.2 Å²	26.2	41%	0.409	14%	0.136	S	C	.	.			trans	-117.4	162.3	164.5	-58.5	174.6	-177.5	172.9	0	108.4	T425 D428	K423-T425 VanDerWaalsContact C-N 3.29Å; K423-T425 HydrophobicContact CB-CG2 4.13Å; K423-T425 PolarHBondContact O-N 2.93Å; K423-D428 WeakPolarHBondContact CA-OD2 3.41Å; K423-D428 WeakPolarHBondContact CB-OD2 3.4Å; K423-D428 PolarHBondContact N-OD2 3.36Å; K423-D428 WeakPolarHBondContact O-CB 3.41Å
424	V	94.4	Very high	92.2	Very high	37 Å²	37	29.4 Å²	29.4	22%	0.224	14%	0.143	C	C	.	.	S	Bend	trans	-79.3	81.2	177.9	-174	0	0	0	0	109.6	L357 F362 V364 M367	L357-V424 HydrophobicContact CB-CG1 3.84Å; L357-V424 HydrophobicContact CD1-CG1 4.47Å; F362-V424 HydrophobicContact CB-CG1 4.08Å; F362-V424 WeakPolarHBondContact O-CG2 3.26Å; V364-V424 HydrophobicContact CG2-CG2 4.23Å; M367-V424 HydrophobicContact SD-CB 4.27Å; M367-V424 HydrophobicContact SD-CG1 4.19Å; M367-V424 HydrophobicContact SD-CG2 4.2Å
425	T	91.4	Very high	92.2	Very high	18 Å²	18	23.1 Å²	23.1	11%	0.11	11%	0.114	C	C	.	.	S	Bend	trans	-139.5	159.3	-179.2	71.2	0	0	0	0	111.1	K423 N427 D428 F429	K423-T425 VanDerWaalsContact C-N 3.29Å; K423-T425 HydrophobicContact CB-CG2 4.13Å; K423-T425 PolarHBondContact O-N 2.93Å; T425-N427 VanDerWaalsContact C-N 3.34Å; T425-N427 PolarHBondContact O-N 2.9Å; T425-D428 PolarHBondContact O-N 3.19Å; T425-D428 WeakPolarHBondContact OG1-CB 3.12Å; T425-D428 PolarHBondContact OG1-N 3.11Å; T425-D428 PolarHBondContact OG1-OD2 3.34Å; T425-F429 WeakPolarHBondContact O-CB 3.41Å; T425-F429 PolarHBondContact O-N 3.24Å
426	H	89.6	Confident	92.2	Very high	13 Å²	13	22.5 Å²	22.5	6%	0.06	11%	0.11	C	C	.	.	H	α-helix	trans	-57.5	-44.2	174	175.8	87.8	0	0	0	112.6	L351 D352 I353 T354 D428 F429 L430 N473 Y478	L351-H426 PolarHBondContact O-NE2 3.48Å; D352-H426 WeakPolarHBondContact OD1-CB 3.49Å; I353-H426 HydrophobicContact CG1-CB 4.03Å; I353-H426 WeakPolarHBondContact CG1-ND1 3.49Å; I353-H426 PolarHBondContact N-ND1 3.19Å; T354-H426 PolarHBondContact OG1-N 3.13Å; H426-D428 PolarHBondContact O-N 2.99Å; H426-F429 WeakPolarHBondContact O-CB 3.35Å; H426-F429 PolarHBondContact O-N 3.18Å; H426-L430 PolarHBondContact O-N 3.22Å; H426-N473 PolarHBondContact CE1-OD1 3.42Å; H426-Y478 PolarHBondContact CE1-OH 2.75Å
427	N	86.8	Confident	92.3	Very high	85 Å²	85	22.4 Å²	22.4	46%	0.455	11%	0.11	S	C	.	.	H	α-helix	trans	-62.4	-45.2	179.9	-70.4	-16.6	0	0	0	111.8	T425 F429 L430 L431	T425-N427 VanDerWaalsContact C-N 3.34Å; T425-N427 PolarHBondContact O-N 2.9Å; N427-F429 VanDerWaalsContact C-N 3.27Å; N427-F429 PolarHBondContact O-N 3.36Å; N427-L430 PolarHBondContact O-N 3.29Å; N427-L431 WeakPolarHBondContact O-CB 3Å; N427-L431 PolarHBondContact O-N 2.6Å
428	D	89.6	Confident	92	Very high	19 Å²	19	22.5 Å²	22.5	10%	0.102	11%	0.112	C	C	.	.	H	α-helix	trans	-71.2	-26.1	178.9	-72.1	-15.9	0	0	0	112.1	M367 L422 K423 T425 H426 L431 V432	M367-D428 HydrophobicContact CE-CB 4.11Å; L422-D428 HydrophobicContact CB-CB 4.44Å; L422-D428 HydrophobicContact CD2-CB 3.93Å; K423-D428 WeakPolarHBondContact CA-OD2 3.41Å; K423-D428 WeakPolarHBondContact CB-OD2 3.4Å; K423-D428 PolarHBondContact N-OD2 3.36Å; K423-D428 WeakPolarHBondContact O-CB 3.41Å; T425-D428 PolarHBondContact O-N 3.19Å; T425-D428 WeakPolarHBondContact OG1-CB 3.12Å; T425-D428 PolarHBondContact OG1-N 3.11Å; T425-D428 PolarHBondContact OG1-OD2 3.34Å; H426-D428 PolarHBondContact O-N 2.99Å; D428-L431 PolarHBondContact O-N 3.38Å; D428-V432 WeakPolarHBondContact O-CG1 3.4Å; D428-V432 PolarHBondContact O-N 2.95Å
429	F	95.8	Very high	92.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.1	-45	170.3	-174.9	-92.6	0	0	0	111.5	I353 L357 M367 T370 T425 H426 N427 V432 H433 V472 F477 Y478 I483	I353-F429 HydrophobicContact CD1-CB 4.36Å; I353-F429 HydrophobicContact CD1-CD1 3.74Å; I353-F429 HydrophobicContact CD1-CD2 4.44Å; I353-F429 HydrophobicContact CD1-CE1 4.11Å; I353-F429 HydrophobicContact CD1-CG 3.92Å; L357-F429 HydrophobicContact CD1-CB 4.25Å; L357-F429 HydrophobicContact CD1-CD2 4.46Å; L357-F429 HydrophobicContact CD2-CD2 4.26Å; M367-F429 HydrophobicContact CB-CD2 4.44Å; M367-F429 VanDerWaalsContact CE-CA 3.44Å; M367-F429 HydrophobicContact CE-CB 3.82Å; M367-F429 HydrophobicContact CE-CD2 4.34Å; M367-F429 VanDerWaalsContact CE-N 3.29Å; M367-F429 HydrophobicContact CG-CD2 4.26Å; T370-F429 HydrophobicContact CG2-CE2 3.97Å; T370-F429 HydrophobicContact CG2-CZ 3.94Å; T425-F429 WeakPolarHBondContact O-CB 3.41Å; T425-F429 PolarHBondContact O-N 3.24Å; H426-F429 WeakPolarHBondContact O-CB 3.35Å; H426-F429 PolarHBondContact O-N 3.18Å; N427-F429 VanDerWaalsContact C-N 3.27Å; N427-F429 PolarHBondContact O-N 3.36Å; F429-V432 WeakPolarHBondContact O-CG1 3.11Å; F429-H433 AromaticContact CE1-CE1 3.44Å; F429-H433 VanDerWaalsContact CE1-CE1 3.44Å; F429-H433 WeakPolarHBondContact CE1-CE1 3.11Å; F429-H433 AromaticContact CE1-ND1 3.92Å; F429-H433 AromaticContact CE2-CE1 3.8Å; F429-H433 AromaticContact CZ-CE1 3.33Å; F429-H433 WeakPolarHBondContact CZ-CE1 3.36Å; F429-H433 PolarHBondContact O-N 2.92Å; F429-H433 PolarHBondContact O-ND1 3.45Å; F429-V472 HydrophobicContact CD1-CG1 4.36Å; F429-V472 HydrophobicContact CE1-CG1 3.7Å; F429-F477 AromaticContact CE1-CE1 3.93Å; F429-F477 HydrophobicContact CE1-CE1 3.93Å; F429-F477 AromaticContact CZ-CE1 3.92Å; F429-F477 HydrophobicContact CZ-CE1 3.92Å; F429-F477 HydrophobicContact CZ-CZ 4.44Å; F429-Y478 HydrophobicContact CD1-CE1 4.48Å; F429-Y478 AromaticContact CE1-CE1 3.97Å; F429-Y478 HydrophobicContact CE1-CE1 3.97Å; F429-I483 HydrophobicContact CE1-CD1 4.49Å; F429-I483 HydrophobicContact CE2-CD1 3.93Å; F429-I483 HydrophobicContact CZ-CD1 3.53Å
430	L	93.2	Very high	92.4	Very high	33 Å²	33	22.6 Å²	22.6	17%	0.173	11%	0.113	C	C	.	.	H	α-helix	trans	-70.1	-38.6	174.9	-62	-178.1	0	0	0	111.8	H426 N427 V432 H433 R434 V472 N473	H426-L430 PolarHBondContact O-N 3.22Å; N427-L430 PolarHBondContact O-N 3.29Å; L430-V432 PolarHBondContact O-N 3.15Å; L430-H433 PolarHBondContact O-N 3.47Å; L430-R434 PolarHBondContact O-N 3.42Å; L430-V472 HydrophobicContact CD2-CG1 4.05Å; L430-N473 HydrophobicContact CD1-CB 4.21Å; L430-N473 HydrophobicContact CD2-CB 3.85Å
431	L	89.3	Confident	92.7	Very high	33 Å²	33	22.8 Å²	22.8	17%	0.173	11%	0.113	C	C	.	.	H	α-helix	trans	-58.3	-47.6	177.3	178.6	61.8	0	0	0	111.4	P405 L422 N427 D428 H433 R434 E435	P405-L431 HydrophobicContact CB-CD1 4.31Å; P405-L431 HydrophobicContact CG-CD1 4.07Å; P405-L431 HydrophobicContact CG-CD2 3.87Å; P405-L431 HydrophobicContact CG-CG 4.44Å; L422-L431 HydrophobicContact CD2-CD2 4.1Å; L422-L431 HydrophobicContact CD2-CG 4.5Å; N427-L431 WeakPolarHBondContact O-CB 3Å; N427-L431 PolarHBondContact O-N 2.6Å; D428-L431 PolarHBondContact O-N 3.38Å; L431-H433 VanDerWaalsContact C-N 3.29Å; L431-H433 PolarHBondContact O-N 3.25Å; L431-R434 WeakPolarHBondContact O-CB 3.37Å; L431-R434 PolarHBondContact O-N 3.42Å; L431-R434 VanDerWaalsContact O-N 3.13Å; L431-E435 HydrophobicContact CD1-CG 3.88Å; L431-E435 HydrophobicContact CG-CG 4.34Å; L431-E435 WeakPolarHBondContact O-CG 3.47Å; L431-E435 PolarHBondContact O-N 3.18Å
432	V	95.7	Very high	93	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.1	-34.6	180	68	0	0	0	0	112.2	V368 A371 L420 L422 D428 F429 L430 E435 M436	V368-V432 HydrophobicContact CB-CG2 4.29Å; V368-V432 HydrophobicContact CG1-CG2 4.27Å; V368-V432 HydrophobicContact CG2-CG2 3.95Å; A371-V432 HydrophobicContact CB-CG1 4.11Å; A371-V432 HydrophobicContact CB-CG2 4.19Å; L420-V432 HydrophobicContact CD1-CB 4.45Å; L420-V432 HydrophobicContact CD1-CG2 4.05Å; L422-V432 HydrophobicContact CD1-CB 3.89Å; L422-V432 HydrophobicContact CD1-CG2 3.97Å; L422-V432 HydrophobicContact CD2-CB 4.43Å; D428-V432 WeakPolarHBondContact O-CG1 3.4Å; D428-V432 PolarHBondContact O-N 2.95Å; F429-V432 WeakPolarHBondContact O-CG1 3.11Å; L430-V432 PolarHBondContact O-N 3.15Å; V432-E435 PolarHBondContact O-N 3.23Å; V432-M436 HydrophobicContact CG2-CG 4.4Å; V432-M436 VanDerWaalsContact O-CB 3.29Å; V432-M436 WeakPolarHBondContact O-CB 3.43Å; V432-M436 WeakPolarHBondContact O-CG 3.3Å; V432-M436 PolarHBondContact O-N 2.81Å
433	H	96.1	Very high	93.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.8	-42.4	172.9	-73.8	76.4	0	0	0	111.5	A371 Y375 F429 L430 L431 E435 M436 A437 V472 F477	A371-H433 WeakPolarHBondContact CA-NE2 3.49Å; Y375-H433 PolarHBondContact OH-O 3.06Å; F429-H433 AromaticContact CE1-CE1 3.44Å; F429-H433 VanDerWaalsContact CE1-CE1 3.44Å; F429-H433 WeakPolarHBondContact CE1-CE1 3.11Å; F429-H433 AromaticContact CE1-ND1 3.92Å; F429-H433 AromaticContact CE2-CE1 3.8Å; F429-H433 AromaticContact CZ-CE1 3.33Å; F429-H433 WeakPolarHBondContact CZ-CE1 3.36Å; F429-H433 PolarHBondContact O-N 2.92Å; F429-H433 PolarHBondContact O-ND1 3.45Å; L430-H433 PolarHBondContact O-N 3.47Å; L431-H433 VanDerWaalsContact C-N 3.29Å; L431-H433 PolarHBondContact O-N 3.25Å; H433-E435 PolarHBondContact O-N 3.28Å; H433-M436 PolarHBondContact O-N 3.44Å; H433-A437 PolarHBondContact O-N 3.11Å; H433-V472 HydrophobicContact CB-CG2 4.29Å; H433-V472 VanDerWaalsContact CD2-CG2 3.46Å; H433-V472 WeakPolarHBondContact CD2-CG2 3.31Å; H433-F477 AromaticContact NE2-CZ 3.98Å
434	R	92.4	Very high	93.7	Very high	83 Å²	83	21.1 Å²	21.1	31%	0.313	11%	0.108	S	C	.	.	H	α-helix	trans	-61.1	-45.5	176.3	-164.3	-176.8	85.6	159.1	5.6	111.9	L430 L431 A437 A465 A469	L430-R434 PolarHBondContact O-N 3.42Å; L431-R434 WeakPolarHBondContact O-CB 3.37Å; L431-R434 PolarHBondContact O-N 3.42Å; L431-R434 VanDerWaalsContact O-N 3.13Å; R434-A437 WeakPolarHBondContact O-CB 3.2Å; R434-A437 PolarHBondContact O-N 3.39Å; R434-A465 HydrophobicContact CG-CB 3.71Å; R434-A469 HydrophobicContact CB-CB 4.26Å
435	E	92.8	Very high	93.8	Very high	8 Å²	8	19.8 Å²	19.8	4%	0.037	10%	0.099	C	C	.	.	H	α-helix	trans	-77.4	-24.9	-177.7	-59.1	-54.7	141.7	0	0	113	P405 L418 L420 L431 V432 H433 A437 N438 T439	P405-E435 HydrophobicContact CB-CG 4Å; L418-E435 HydrophobicContact CD1-CB 3.88Å; L418-E435 HydrophobicContact CD2-CB 4.5Å; L420-E435 HydrophobicContact CD2-CB 4.22Å; L420-E435 HydrophobicContact CD2-CG 3.96Å; L431-E435 HydrophobicContact CD1-CG 3.88Å; L431-E435 HydrophobicContact CG-CG 4.34Å; L431-E435 WeakPolarHBondContact O-CG 3.47Å; L431-E435 PolarHBondContact O-N 3.18Å; V432-E435 PolarHBondContact O-N 3.23Å; H433-E435 PolarHBondContact O-N 3.28Å; E435-A437 VanDerWaalsContact C-N 3.26Å; E435-A437 PolarHBondContact O-N 3.28Å; E435-N438 WeakPolarHBondContact O-CB 3.43Å; E435-N438 PolarHBondContact O-N 3.44Å; E435-N438 PolarHBondContact OE2-ND2 3.26Å; E435-T439 PolarHBondContact O-N 2.56Å; E435-T439 PolarHBondContact O-OG1 3.04Å
436	M	96.8	Very high	94	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.6	-34.5	166	-79.5	-68.1	-178.2	0	0	111.7	V368 A371 Y375 L383 F387 L418 V432 H433 N438 T439 F440	V368-M436 HydrophobicContact CG1-CE 3.27Å; A371-M436 HydrophobicContact CB-CG 3.82Å; Y375-M436 HydrophobicContact CD2-CB 4.15Å; Y375-M436 HydrophobicContact CE2-CB 3.46Å; Y375-M436 VanDerWaalsContact CE2-CB 3.46Å; L383-M436 HydrophobicContact CD1-CE 3.84Å; L383-M436 HydrophobicContact CD1-SD 3.66Å; F387-M436 HydrophobicContact CE1-CE 3.82Å; F387-M436 HydrophobicContact CZ-CE 3.76Å; F387-M436 HydrophobicContact CZ-SD 4.17Å; L418-M436 HydrophobicContact CD2-CE 4.1Å; L418-M436 HydrophobicContact CD2-SD 4.27Å; V432-M436 HydrophobicContact CG2-CG 4.4Å; V432-M436 VanDerWaalsContact O-CB 3.29Å; V432-M436 WeakPolarHBondContact O-CB 3.43Å; V432-M436 WeakPolarHBondContact O-CG 3.3Å; V432-M436 PolarHBondContact O-N 2.81Å; H433-M436 PolarHBondContact O-N 3.44Å; M436-N438 VanDerWaalsContact C-N 3.26Å; M436-N438 PolarHBondContact O-N 3.41Å; M436-T439 WeakPolarHBondContact O-CB 3.42Å; M436-T439 PolarHBondContact O-N 2.89Å; M436-T439 VanDerWaalsContact O-N 3.12Å; M436-F440 HydrophobicContact CB-CD2 4.44Å; M436-F440 VanDerWaalsContact O-CD2 3.3Å; M436-F440 WeakPolarHBondContact O-CD2 3.21Å; M436-F440 PolarHBondContact O-N 2.86Å; M436-F440 HydrophobicContact SD-CE2 4.3Å
437	A	96.1	Very high	94.2	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-56.9	-43.4	173.9	0	0	0	0	0	111.3	Y375 H433 R434 E435 T439 F440 Y441 A465 L468	Y375-A437 WeakPolarHBondContact OH-CA 3.11Å; Y375-A437 VanDerWaalsContact OH-CB 3.22Å; Y375-A437 WeakPolarHBondContact OH-CB 3.49Å; Y375-A437 PolarHBondContact OH-N 2.72Å; H433-A437 PolarHBondContact O-N 3.11Å; R434-A437 WeakPolarHBondContact O-CB 3.2Å; R434-A437 PolarHBondContact O-N 3.39Å; E435-A437 VanDerWaalsContact C-N 3.26Å; E435-A437 PolarHBondContact O-N 3.28Å; A437-T439 VanDerWaalsContact C-N 3.35Å; A437-T439 PolarHBondContact O-N 2.82Å; A437-F440 PolarHBondContact O-N 3.39Å; A437-Y441 VanDerWaalsContact O-CB 3.29Å; A437-Y441 WeakPolarHBondContact O-CB 3.37Å; A437-Y441 PolarHBondContact O-N 3.13Å; A437-A465 HydrophobicContact CB-CB 3.72Å; A437-L468 HydrophobicContact CB-CD1 3.87Å
438	N	91.9	Very high	94.6	Very high	19 Å²	19	25.3 Å²	25.3	10%	0.102	13%	0.131	C	C	.	.	H	α-helix	trans	-62.4	-42.4	177.3	-67.9	-38.9	0	0	0	111.6	A407 E435 M436 Y441 Q442 R461	A407-N438 HydrophobicContact CB-CB 3.8Å; E435-N438 WeakPolarHBondContact O-CB 3.43Å; E435-N438 PolarHBondContact O-N 3.44Å; E435-N438 PolarHBondContact OE2-ND2 3.26Å; M436-N438 VanDerWaalsContact C-N 3.26Å; M436-N438 PolarHBondContact O-N 3.41Å; N438-Y441 PolarHBondContact O-N 3.46Å; N438-Q442 VanDerWaalsContact O-CG 3.32Å; N438-Q442 WeakPolarHBondContact O-CG 3.09Å; N438-Q442 PolarHBondContact O-N 3.1Å; N438-R461 WeakPolarHBondContact OD1-CG 3.38Å
439	T	95.9	Very high	94.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.7	-49.5	177.7	-55.7	0	0	0	0	111.5	L383 F387 E435 M436 A437 Y441 Q442 I443	L383-T439 HydrophobicContact CD2-CG2 3.98Å; F387-T439 HydrophobicContact CD2-CG2 4.05Å; F387-T439 HydrophobicContact CE2-CG2 3.55Å; F387-T439 HydrophobicContact CZ-CG2 4.33Å; E435-T439 PolarHBondContact O-N 2.56Å; E435-T439 PolarHBondContact O-OG1 3.04Å; M436-T439 WeakPolarHBondContact O-CB 3.42Å; M436-T439 PolarHBondContact O-N 2.89Å; M436-T439 VanDerWaalsContact O-N 3.12Å; A437-T439 VanDerWaalsContact C-N 3.35Å; A437-T439 PolarHBondContact O-N 2.82Å; T439-Y441 VanDerWaalsContact C-N 3.29Å; T439-Y441 PolarHBondContact O-N 3.17Å; T439-Q442 WeakPolarHBondContact O-CB 3.41Å; T439-Q442 PolarHBondContact O-N 3.3Å; T439-I443 HydrophobicContact CG2-CD1 4.07Å; T439-I443 WeakPolarHBondContact O-CG1 3.4Å; T439-I443 PolarHBondContact O-N 3.2Å
440	F	97.5	Very high	94.8	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.018	14%	0.137	C	C	.	.	H	α-helix	trans	-65.8	-32.2	178.1	-81.1	-75	0	0	0	112.6	E372 Y375 F380 D381 L383 M436 A437 S444	E372-F440 HydrophobicContact CG-CZ 4.49Å; Y375-F440 VanDerWaalsContact CB-CE2 3.42Å; Y375-F440 HydrophobicContact CD1-CB 4.09Å; Y375-F440 HydrophobicContact CD1-CD1 4.47Å; Y375-F440 AromaticContact CD1-CD2 3.46Å; Y375-F440 HydrophobicContact CD1-CD2 3.46Å; Y375-F440 VanDerWaalsContact CD1-CD2 3.46Å; Y375-F440 AromaticContact CD1-CE2 4Å; Y375-F440 HydrophobicContact CD1-CE2 4Å; Y375-F440 AromaticContact CD1-CG 3.74Å; Y375-F440 HydrophobicContact CD1-CG 3.74Å; Y375-F440 AromaticContact CD2-CD2 3.47Å; Y375-F440 HydrophobicContact CD2-CD2 3.47Å; Y375-F440 VanDerWaalsContact CD2-CD2 3.47Å; Y375-F440 AromaticContact CD2-CE2 3.34Å; Y375-F440 HydrophobicContact CD2-CE2 3.34Å; Y375-F440 HydrophobicContact CD2-CZ 4.29Å; Y375-F440 HydrophobicContact CE1-CB 4.24Å; Y375-F440 AromaticContact CE1-CD2 3.88Å; Y375-F440 HydrophobicContact CE1-CD2 3.88Å; Y375-F440 HydrophobicContact CE1-CG 4.26Å; Y375-F440 AromaticContact CE2-CD2 3.94Å; Y375-F440 HydrophobicContact CE2-CD2 3.94Å; Y375-F440 HydrophobicContact CE2-CE2 4.16Å; Y375-F440 HydrophobicContact CG-CD1 4.47Å; Y375-F440 AromaticContact CG-CD2 3.26Å; Y375-F440 HydrophobicContact CG-CD2 3.26Å; Y375-F440 HydrophobicContact CG-CE1 4.47Å; Y375-F440 AromaticContact CG-CE2 3.29Å; Y375-F440 HydrophobicContact CG-CE2 3.29Å; Y375-F440 AromaticContact CG-CG 3.91Å; Y375-F440 HydrophobicContact CG-CG 3.91Å; Y375-F440 AromaticContact CG-CZ 3.93Å; Y375-F440 HydrophobicContact CG-CZ 3.93Å; F380-F440 HydrophobicContact CB-CD1 4Å; F380-F440 HydrophobicContact CB-CE1 3.82Å; F380-F440 HydrophobicContact CD1-CB 4.42Å; F380-F440 AromaticContact CD1-CD1 3.67Å; F380-F440 HydrophobicContact CD1-CD1 3.67Å; F380-F440 HydrophobicContact CD1-CE1 4.36Å; F380-F440 HydrophobicContact CD1-CG 4.34Å; F380-F440 HydrophobicContact CE1-CB 4.38Å; F380-F440 HydrophobicContact CE1-CD1 4.43Å; F380-F440 HydrophobicContact CG-CD1 4.02Å; F380-F440 HydrophobicContact CG-CE1 4.34Å; D381-F440 WeakPolarHBondContact O-CE1 3.22Å; L383-F440 HydrophobicContact CD1-CE2 4.31Å; L383-F440 HydrophobicContact CD1-CZ 4.27Å; L383-F440 HydrophobicContact CD2-CE1 3.98Å; L383-F440 HydrophobicContact CD2-CE2 4.22Å; L383-F440 HydrophobicContact CD2-CZ 3.8Å; L383-F440 HydrophobicContact CG-CE1 4.39Å; L383-F440 HydrophobicContact CG-CE2 4.32Å; L383-F440 HydrophobicContact CG-CZ 3.83Å; M436-F440 HydrophobicContact CB-CD2 4.44Å; M436-F440 VanDerWaalsContact O-CD2 3.3Å; M436-F440 WeakPolarHBondContact O-CD2 3.21Å; M436-F440 PolarHBondContact O-N 2.86Å; M436-F440 HydrophobicContact SD-CE2 4.3Å; A437-F440 PolarHBondContact O-N 3.39Å; F440-S444 WeakPolarHBondContact O-CB 3.46Å; F440-S444 PolarHBondContact O-N 3.5Å; F440-S444 PolarHBondContact O-OG 3.18Å
441	Y	95.1	Very high	94.7	Very high	4 Å²	4	25 Å²	25	2%	0.016	13%	0.132	C	C	.	.	H	α-helix	trans	-62.9	-48.9	172.1	-150.4	-34.7	0	0	0	110.2	A437 N438 T439 I443 S444 F445 A455 L464 M617	A437-Y441 VanDerWaalsContact O-CB 3.29Å; A437-Y441 WeakPolarHBondContact O-CB 3.37Å; A437-Y441 PolarHBondContact O-N 3.13Å; N438-Y441 PolarHBondContact O-N 3.46Å; T439-Y441 VanDerWaalsContact C-N 3.29Å; T439-Y441 PolarHBondContact O-N 3.17Å; Y441-I443 VanDerWaalsContact C-N 3.34Å; Y441-I443 PolarHBondContact O-N 3.17Å; Y441-S444 WeakPolarHBondContact O-CB 3.44Å; Y441-S444 PolarHBondContact O-N 3.41Å; Y441-F445 AromaticContact CD1-CD1 3.49Å; Y441-F445 HydrophobicContact CD1-CD1 3.49Å; Y441-F445 VanDerWaalsContact CD1-CD1 3.49Å; Y441-F445 AromaticContact CD1-CE1 3.56Å; Y441-F445 HydrophobicContact CD1-CE1 3.56Å; Y441-F445 AromaticContact CE1-CD1 3.79Å; Y441-F445 HydrophobicContact CE1-CD1 3.79Å; Y441-F445 HydrophobicContact CE1-CE1 4.05Å; Y441-F445 HydrophobicContact CG-CE1 4.36Å; Y441-F445 VanDerWaalsContact O-CD1 3.29Å; Y441-F445 WeakPolarHBondContact O-CD1 3.42Å; Y441-F445 PolarHBondContact O-N 2.83Å; Y441-A455 HydrophobicContact CE1-CB 4.31Å; Y441-A455 HydrophobicContact CE2-CB 4.09Å; Y441-L464 HydrophobicContact CD2-CD2 4.46Å; Y441-L464 HydrophobicContact CE2-CD1 4.13Å; Y441-M617 HydrophobicContact CD1-CB 3.7Å; Y441-M617 HydrophobicContact CD1-CG 3.87Å; Y441-M617 HydrophobicContact CD2-CE 4.45Å; Y441-M617 HydrophobicContact CD2-CG 4.13Å; Y441-M617 VanDerWaalsContact CE1-CA 3.5Å; Y441-M617 HydrophobicContact CE1-CB 3.83Å; Y441-M617 HydrophobicContact CE1-CG 4.05Å; Y441-M617 WeakPolarHBondContact CE1-O 3.45Å; Y441-M617 HydrophobicContact CE2-CG 4.29Å; Y441-M617 HydrophobicContact CG-CB 4.23Å; Y441-M617 HydrophobicContact CG-CG 3.91Å; Y441-M617 HydrophobicContact CG-SD 4.44Å
442	Q	94	Very high	94.8	Very high	30 Å²	30	23.4 Å²	23.4	14%	0.14	12%	0.124	C	C	.	.	H	α-helix	trans	-57.1	-45.2	177.3	-73.4	168.6	-6.5	0	0	112.7	A407 F408 D409 F416 N438 T439 S444 F445 K446	A407-Q442 PolarHBondContact O-NE2 2.83Å; F408-Q442 PolarHBondContact O-OE1 3.3Å; D409-Q442 HydrophobicContact CB-CB 4.2Å; D409-Q442 HydrophobicContact CB-CG 4.04Å; F416-Q442 HydrophobicContact CD1-CB 3.94Å; F416-Q442 HydrophobicContact CE1-CB 3.95Å; N438-Q442 VanDerWaalsContact O-CG 3.32Å; N438-Q442 WeakPolarHBondContact O-CG 3.09Å; N438-Q442 PolarHBondContact O-N 3.1Å; T439-Q442 WeakPolarHBondContact O-CB 3.41Å; T439-Q442 PolarHBondContact O-N 3.3Å; Q442-S444 VanDerWaalsContact C-N 3.31Å; Q442-S444 PolarHBondContact O-N 3.16Å; Q442-F445 VanDerWaalsContact CA-CZ 3.49Å; Q442-F445 HydrophobicContact CB-CE2 4.21Å; Q442-F445 HydrophobicContact CB-CZ 4.17Å; Q442-F445 HydrophobicContact CG-CE2 4.28Å; Q442-F445 HydrophobicContact CG-CZ 3.87Å; Q442-F445 VanDerWaalsContact O-CD2 3.27Å; Q442-F445 WeakPolarHBondContact O-CD2 3.32Å; Q442-F445 WeakPolarHBondContact O-CE2 3.48Å; Q442-K446 PolarHBondContact O-N 3.41Å
443	I	96.5	Very high	94.7	Very high	35 Å²	35	25.1 Å²	25.1	18%	0.179	13%	0.13	C	C	.	.	H	α-helix	trans	-64	-38.5	176.4	-67.8	168.8	0	0	0	111.1	L383 F416 T439 Y441 F445 K446	L383-I443 HydrophobicContact CD2-CD1 3.38Å; F416-I443 HydrophobicContact CD1-CG1 3.97Å; F416-I443 HydrophobicContact CD2-CD1 4.39Å; F416-I443 HydrophobicContact CD2-CG1 3.78Å; F416-I443 HydrophobicContact CE1-CG1 4.06Å; F416-I443 HydrophobicContact CE2-CG1 3.87Å; F416-I443 HydrophobicContact CG-CD1 4.44Å; F416-I443 HydrophobicContact CG-CG1 3.83Å; F416-I443 HydrophobicContact CZ-CG1 4.01Å; T439-I443 HydrophobicContact CG2-CD1 4.07Å; T439-I443 WeakPolarHBondContact O-CG1 3.4Å; T439-I443 PolarHBondContact O-N 3.2Å; Y441-I443 VanDerWaalsContact C-N 3.34Å; Y441-I443 PolarHBondContact O-N 3.17Å; I443-F445 PolarHBondContact O-N 3.17Å; I443-K446 HydrophobicContact CG2-CD 4.41Å; I443-K446 WeakPolarHBondContact O-CB 3.42Å; I443-K446 WeakPolarHBondContact O-CD 3.48Å; I443-K446 WeakPolarHBondContact O-CG 3.46Å; I443-K446 PolarHBondContact O-N 3.47Å
444	S	96.8	Very high	94.4	Very high	22 Å²	22	29.9 Å²	29.9	15%	0.154	15%	0.152	C	C	.	.	H	α-helix	trans	-66.4	-37.3	-176.2	-63.2	0	0	0	0	113.1	F440 Y441 Q442 M617 S618	F440-S444 WeakPolarHBondContact O-CB 3.46Å; F440-S444 PolarHBondContact O-N 3.5Å; F440-S444 PolarHBondContact O-OG 3.18Å; Y441-S444 WeakPolarHBondContact O-CB 3.44Å; Y441-S444 PolarHBondContact O-N 3.41Å; Q442-S444 VanDerWaalsContact C-N 3.31Å; Q442-S444 PolarHBondContact O-N 3.16Å; S444-M617 VanDerWaalsContact CB-CB 3.47Å; S444-S618 WeakPolarHBondContact O-CA 3.18Å; S444-S618 WeakPolarHBondContact O-CB 3.34Å
445	F	95.6	Very high	94.2	Very high	8 Å²	8	26.5 Å²	26.5	4%	0.035	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	9.1	177.3	59	-129.5	0	0	0	114.1	Y441 Q442 I443 S447 Q448 R453	Y441-F445 AromaticContact CD1-CD1 3.49Å; Y441-F445 HydrophobicContact CD1-CD1 3.49Å; Y441-F445 VanDerWaalsContact CD1-CD1 3.49Å; Y441-F445 AromaticContact CD1-CE1 3.56Å; Y441-F445 HydrophobicContact CD1-CE1 3.56Å; Y441-F445 AromaticContact CE1-CD1 3.79Å; Y441-F445 HydrophobicContact CE1-CD1 3.79Å; Y441-F445 HydrophobicContact CE1-CE1 4.05Å; Y441-F445 HydrophobicContact CG-CE1 4.36Å; Y441-F445 VanDerWaalsContact O-CD1 3.29Å; Y441-F445 WeakPolarHBondContact O-CD1 3.42Å; Y441-F445 PolarHBondContact O-N 2.83Å; Q442-F445 VanDerWaalsContact CA-CZ 3.49Å; Q442-F445 HydrophobicContact CB-CE2 4.21Å; Q442-F445 HydrophobicContact CB-CZ 4.17Å; Q442-F445 HydrophobicContact CG-CE2 4.28Å; Q442-F445 HydrophobicContact CG-CZ 3.87Å; Q442-F445 VanDerWaalsContact O-CD2 3.27Å; Q442-F445 WeakPolarHBondContact O-CD2 3.32Å; Q442-F445 WeakPolarHBondContact O-CE2 3.48Å; I443-F445 PolarHBondContact O-N 3.17Å; F445-S447 PolarHBondContact O-N 2.88Å; F445-Q448 HydrophobicContact CB-CG 4.02Å; F445-Q448 VanDerWaalsContact O-CB 3.27Å; F445-Q448 WeakPolarHBondContact O-CB 2.99Å; F445-Q448 PolarHBondContact O-N 3.35Å; F445-R453 HydrophobicContact CD2-CB 3.79Å; F445-R453 HydrophobicContact CD2-CG 4.11Å; F445-R453 VanDerWaalsContact CE2-C 3.44Å; F445-R453 HydrophobicContact CE2-CB 3.82Å; F445-R453 WeakPolarHBondContact CE2-O 3.48Å
446	K	95.5	Very high	94.2	Very high	94 Å²	94	27.1 Å²	27.1	41%	0.409	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-19	-174.9	77.7	-175.1	-179.9	173.4	0	114.6	F416 Q442 I443 R453	F416-K446 HydrophobicContact CE2-CD 4.41Å; F416-K446 HydrophobicContact CZ-CB 3.95Å; F416-K446 HydrophobicContact CZ-CD 4.22Å; Q442-K446 PolarHBondContact O-N 3.41Å; I443-K446 HydrophobicContact CG2-CD 4.41Å; I443-K446 WeakPolarHBondContact O-CB 3.42Å; I443-K446 WeakPolarHBondContact O-CD 3.48Å; I443-K446 WeakPolarHBondContact O-CG 3.46Å; I443-K446 PolarHBondContact O-N 3.47Å; K446-R453 PolarHBondContact O-NE 2.9Å; K446-R453 PolarHBondContact O-NH2 3.34Å
447	S	94.9	Very high	93.8	Very high	104 Å²	104	27.5 Å²	27.5	73%	0.727	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-8.2	175.6	59.5	0	0	0	0	113.8	F445	F445-S447 PolarHBondContact O-N 2.88Å
448	Q	95.4	Very high	93.2	Very high	35 Å²	35	29.7 Å²	29.7	16%	0.164	16%	0.162	C	C	.	.	S	Bend	trans	-67.3	154.6	171.5	-68	-67.7	-24	0	0	110.1	F445 L452 R453 S618	F445-Q448 HydrophobicContact CB-CG 4.02Å; F445-Q448 VanDerWaalsContact O-CB 3.27Å; F445-Q448 WeakPolarHBondContact O-CB 2.99Å; F445-Q448 PolarHBondContact O-N 3.35Å; Q448-L452 HydrophobicContact CB-CB 4.34Å; Q448-R453 HydrophobicContact CB-CG 4.13Å; Q448-R453 WeakPolarHBondContact O-CG 3.45Å; Q448-R453 PolarHBondContact O-NE 2.93Å; Q448-R453 PolarHBondContact O-NH2 2.84Å; Q448-S618 WeakPolarHBondContact CG-O 3.36Å; Q448-S618 PolarHBondContact NE2-O 3.43Å
449	P	96	Very high	93.2	Very high	26 Å²	26	28.8 Å²	28.8	17%	0.169	16%	0.158	C	C	.	.			trans	-51.6	142.6	165.9	-23.6	33.2	0	0	0	110.6	E83 L142 M146 A451 L452 R453	E83-P449 WeakPolarHBondContact OE1-CB 3.46Å; E83-P449 WeakPolarHBondContact OE2-CA 3.44Å; L142-P449 HydrophobicContact CD2-CG 4.43Å; M146-P449 HydrophobicContact CE-CB 3.48Å; M146-P449 VanDerWaalsContact CE-CB 3.48Å; M146-P449 HydrophobicContact CE-CG 4.25Å; M146-P449 HydrophobicContact SD-CB 3.7Å; M146-P449 HydrophobicContact SD-CG 3.81Å; P449-A451 PolarHBondContact O-N 3.32Å; P449-A451 VanDerWaalsContact O-N 3.14Å; P449-L452 HydrophobicContact CG-CD1 4.27Å; P449-L452 CarbonylContact O-C 3.27Å; P449-L452 WeakPolarHBondContact O-CA 3.49Å; P449-L452 PolarHBondContact O-N 2.86Å; P449-R453 PolarHBondContact O-N 2.95Å
450	I	93.1	Very high	93.1	Very high	10 Å²	10	28.9 Å²	28.9	5%	0.051	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-52.3	-39.8	-176.3	-72.8	172.5	0	0	0	111.4	E83 A86 A87 Y90 L452 R453	E83-I450 VanDerWaalsContact CD-N 3.26Å; E83-I450 WeakPolarHBondContact O-CD1 3.15Å; E83-I450 PolarHBondContact OE1-N 3.49Å; E83-I450 WeakPolarHBondContact OE2-CG1 3.34Å; E83-I450 PolarHBondContact OE2-N 2.7Å; A86-I450 HydrophobicContact CB-CB 4.48Å; A86-I450 HydrophobicContact CB-CD1 4.05Å; A86-I450 HydrophobicContact CB-CG2 4Å; A87-I450 HydrophobicContact CB-CD1 3.7Å; Y90-I450 HydrophobicContact CD2-CG2 3.54Å; Y90-I450 HydrophobicContact CE2-CG2 3.55Å; I450-L452 PolarHBondContact O-N 2.84Å; I450-L452 VanDerWaalsContact O-N 3.08Å; I450-R453 PolarHBondContact O-N 3.45Å
451	A	90.6	Very high	92.8	Very high	9 Å²	9	31.9 Å²	31.9	7%	0.074	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-59.6	-19.6	176.1	0	0	0	0	0	113.6	Y82 M146 K149 L150 P449	Y82-A451 HydrophobicContact CE1-CB 3.84Å; M146-A451 HydrophobicContact CE-CB 4.14Å; K149-A451 VanDerWaalsContact CD-O 3.32Å; K149-A451 WeakPolarHBondContact CD-O 3.5Å; K149-A451 WeakPolarHBondContact CE-O 3.1Å; K149-A451 PolarHBondContact NZ-O 3.31Å; L150-A451 HydrophobicContact CD2-CB 3.99Å; L150-A451 HydrophobicContact CG-CB 4.36Å; P449-A451 PolarHBondContact O-N 3.32Å; P449-A451 VanDerWaalsContact O-N 3.14Å
452	L	93	Very high	92.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-114.3	3.5	-177.3	-54.1	178.5	0	0	0	113.5	L142 M146 K149 Q448 P449 I450 E454 S621	L142-L452 HydrophobicContact CD1-CD1 3.37Å; M146-L452 HydrophobicContact CG-CD1 4.13Å; M146-L452 HydrophobicContact CG-CG 4.29Å; K149-L452 HydrophobicContact CD-CD2 4.21Å; Q448-L452 HydrophobicContact CB-CB 4.34Å; P449-L452 HydrophobicContact CG-CD1 4.27Å; P449-L452 CarbonylContact O-C 3.27Å; P449-L452 WeakPolarHBondContact O-CA 3.49Å; P449-L452 PolarHBondContact O-N 2.86Å; I450-L452 PolarHBondContact O-N 2.84Å; I450-L452 VanDerWaalsContact O-N 3.08Å; L452-E454 PolarHBondContact O-N 2.96Å; L452-S621 WeakPolarHBondContact CA-OG 3.38Å; L452-S621 WeakPolarHBondContact CD2-OG 3.25Å; L452-S621 PolarHBondContact O-N 2.95Å
453	R	93	Very high	92.5	Very high	35 Å²	35	32.6 Å²	32.6	13%	0.132	17%	0.174	C	C	.	.			trans	-78.4	60.1	176.5	-69.2	-170.7	-169.7	166.6	8.4	112.3	K411 F445 K446 Q448 P449 I450	K411-R453 PolarHBondContact NZ-O 3.17Å; K411-R453 PolarHBondContact O-NH1 3.12Å; F445-R453 HydrophobicContact CD2-CB 3.79Å; F445-R453 HydrophobicContact CD2-CG 4.11Å; F445-R453 VanDerWaalsContact CE2-C 3.44Å; F445-R453 HydrophobicContact CE2-CB 3.82Å; F445-R453 WeakPolarHBondContact CE2-O 3.48Å; K446-R453 PolarHBondContact O-NE 2.9Å; K446-R453 PolarHBondContact O-NH2 3.34Å; Q448-R453 HydrophobicContact CB-CG 4.13Å; Q448-R453 WeakPolarHBondContact O-CG 3.45Å; Q448-R453 PolarHBondContact O-NE 2.93Å; Q448-R453 PolarHBondContact O-NH2 2.84Å; P449-R453 PolarHBondContact O-N 2.95Å; I450-R453 PolarHBondContact O-N 3.45Å
454	E	89	Confident	92.6	Very high	100 Å²	100	31 Å²	31	47%	0.467	17%	0.166	S	C	.	.	S	Bend	trans	-149.1	164.7	170.9	61.2	179.8	-165.5	0	0	109.2	K149 L452 G620 S621	K149-E454 WeakPolarHBondContact CE-OE1 3.41Å; K149-E454 VanDerWaalsContact NZ-CD 3.29Å; K149-E454 IonicContact NZ-OE1 3.73Å; K149-E454 PolarHBondContact NZ-OE1 2.82Å; L452-E454 PolarHBondContact O-N 2.96Å; E454-G620 CarbonylContact O-C 3.56Å; E454-G620 WeakPolarHBondContact O-CA 3.36Å; E454-S621 PolarHBondContact O-N 2.91Å
455	A	89.4	Confident	92.5	Very high	12 Å²	12	30 Å²	30	10%	0.099	16%	0.16	C	C	.	.			trans	-66.2	157.6	171.4	0	0	0	0	0	110.6	Y441 N457 R461	Y441-A455 HydrophobicContact CE1-CB 4.31Å; Y441-A455 HydrophobicContact CE2-CB 4.09Å; A455-N457 PolarHBondContact O-N 3.29Å; A455-N457 VanDerWaalsContact O-N 3.11Å; A455-R461 HydrophobicContact CB-CB 3.67Å; A455-R461 HydrophobicContact CB-CG 4.28Å
456	V	91.5	Very high	92.4	Very high	21 Å²	21	30 Å²	30	13%	0.127	16%	0.162	C	C	.	.	S	Bend	trans	-52.4	-36	-179.9	-69.9	0	0	0	0	114	M460 G620 R623 W625 V628	V456-M460 HydrophobicContact CG2-CB 3.57Å; V456-M460 HydrophobicContact CG2-CE 4.49Å; V456-M460 HydrophobicContact CG2-CG 3.63Å; V456-G620 WeakPolarHBondContact CG1-O 3.41Å; V456-R623 WeakPolarHBondContact CG1-O 3.22Å; V456-W625 HydrophobicContact CB-CB 3.89Å; V456-W625 HydrophobicContact CG2-CB 3.63Å; V456-V628 HydrophobicContact CG1-CB 4.18Å; V456-V628 HydrophobicContact CG1-CG2 3.48Å; V456-V628 VanDerWaalsContact CG1-CG2 3.48Å
457	N	88.6	Confident	92.5	Very high	8 Å²	8	25.6 Å²	25.6	4%	0.043	14%	0.142	C	C	.	.			trans	-160.8	165.1	165.6	58.5	40.6	0	0	0	109.4	T257 A455 A459 M460 R461	T257-N457 WeakPolarHBondContact O-CB 3.22Å; A455-N457 PolarHBondContact O-N 3.29Å; A455-N457 VanDerWaalsContact O-N 3.11Å; N457-A459 VanDerWaalsContact C-N 3.29Å; N457-A459 PolarHBondContact O-N 3.43Å; N457-A459 PolarHBondContact OD1-N 2.8Å; N457-M460 PolarHBondContact O-N 3.44Å; N457-M460 VanDerWaalsContact OD1-CB 3.31Å; N457-M460 WeakPolarHBondContact OD1-CB 3.36Å; N457-M460 WeakPolarHBondContact OD1-CG 3.35Å; N457-M460 PolarHBondContact OD1-N 3.46Å; N457-R461 PolarHBondContact O-N 3.14Å
458	P	83.9	Confident	92.6	Very high	47 Å²	47	20.6 Å²	20.6	31%	0.305	11%	0.108	S	C	.	.	H	α-helix	trans	-60.2	-35.4	-179.7	-27.5	37.7	0	0	0	113.9	R461 N462 E573	P458-R461 PolarHBondContact O-N 3.39Å; P458-N462 PolarHBondContact O-N 2.8Å; P458-N462 PolarHBondContact O-ND2 2.99Å; P458-N462 PolarHBondContact O-OD1 3.36Å; P458-E573 HydrophobicContact CB-CG 3.76Å; P458-E573 WeakPolarHBondContact CB-OE1 3.48Å; P458-E573 WeakPolarHBondContact CB-OE2 3.23Å
459	A	91	Very high	92.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.3	-46.6	179.4	0	0	0	0	0	112	Y258 N457 R461 N462 A463 E573 V576	Y258-A459 HydrophobicContact CE1-CB 4.23Å; N457-A459 VanDerWaalsContact C-N 3.29Å; N457-A459 PolarHBondContact O-N 3.43Å; N457-A459 PolarHBondContact OD1-N 2.8Å; A459-R461 PolarHBondContact O-N 2.82Å; A459-N462 PolarHBondContact O-N 3.27Å; A459-A463 WeakPolarHBondContact O-CB 3.21Å; A459-A463 PolarHBondContact O-N 2.89Å; A459-E573 HydrophobicContact CB-CG 4.48Å; A459-V576 HydrophobicContact CB-CB 4Å; A459-V576 HydrophobicContact CB-CG1 3.88Å
460	M	94.1	Very high	92.4	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-63.9	-39.3	177	-80.9	-70.5	-72.6	0	0	112.4	V456 N457 A463 L464 L580 I584 W625 V628 L629 L632	V456-M460 HydrophobicContact CG2-CB 3.57Å; V456-M460 HydrophobicContact CG2-CE 4.49Å; V456-M460 HydrophobicContact CG2-CG 3.63Å; N457-M460 PolarHBondContact O-N 3.44Å; N457-M460 VanDerWaalsContact OD1-CB 3.31Å; N457-M460 WeakPolarHBondContact OD1-CB 3.36Å; N457-M460 WeakPolarHBondContact OD1-CG 3.35Å; N457-M460 PolarHBondContact OD1-N 3.46Å; M460-A463 PolarHBondContact O-N 3.4Å; M460-L464 WeakPolarHBondContact O-CB 3.27Å; M460-L464 PolarHBondContact O-N 2.78Å; M460-L580 HydrophobicContact CG-CD1 4.18Å; M460-L580 HydrophobicContact SD-CD1 3.65Å; M460-L580 HydrophobicContact SD-CD2 4.37Å; M460-I584 HydrophobicContact CE-CD1 4.5Å; M460-I584 HydrophobicContact SD-CD1 4.36Å; M460-W625 HydrophobicContact CG-CB 4.32Å; M460-V628 HydrophobicContact CE-CB 4.23Å; M460-V628 HydrophobicContact CE-CG1 3.9Å; M460-L629 HydrophobicContact CE-CB 4.11Å; M460-L629 HydrophobicContact CE-CD1 4.4Å; M460-L629 HydrophobicContact SD-CB 4.45Å; M460-L629 HydrophobicContact SD-CD1 4.29Å; M460-L632 HydrophobicContact CE-CD1 4.1Å
461	R	92.1	Very high	92.6	Very high	68 Å²	68	19 Å²	19	26%	0.257	10%	0.101	S	C	.	.	H	α-helix	trans	-60.1	-51.7	174.7	-177.2	-173	58.1	-161.3	-14.8	110.7	S15 N438 A455 N457 P458 A459 A463 L464 A465 E573	S15-R461 PolarHBondContact OG-NH2 2.79Å; N438-R461 WeakPolarHBondContact OD1-CG 3.38Å; A455-R461 HydrophobicContact CB-CB 3.67Å; A455-R461 HydrophobicContact CB-CG 4.28Å; N457-R461 PolarHBondContact O-N 3.14Å; P458-R461 PolarHBondContact O-N 3.39Å; A459-R461 PolarHBondContact O-N 2.82Å; R461-A463 VanDerWaalsContact C-N 3.33Å; R461-A463 PolarHBondContact O-N 3.15Å; R461-L464 PolarHBondContact O-N 3.35Å; R461-A465 WeakPolarHBondContact O-CB 3.38Å; R461-A465 PolarHBondContact O-N 3.42Å; R461-E573 IonicContact NH2-OE1 2.9Å
462	N	87.7	Confident	92.8	Very high	48 Å²	48	18.5 Å²	18.5	26%	0.257	10%	0.097	S	C	.	.	H	α-helix	trans	-65.2	-40.4	-178.2	-63.5	-11	0	0	0	111	P458 A459 A465 G466 E573	P458-N462 PolarHBondContact O-N 2.8Å; P458-N462 PolarHBondContact O-ND2 2.99Å; P458-N462 PolarHBondContact O-OD1 3.36Å; A459-N462 PolarHBondContact O-N 3.27Å; N462-A465 PolarHBondContact O-N 3.27Å; N462-G466 PolarHBondContact O-N 3.4Å; N462-E573 PolarHBondContact ND2-OE1 2.59Å
463	A	96	Very high	92.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.4	-45.6	178	0	0	0	0	0	112.4	A459 M460 R461 G466 A467 L580 Q581 I584	A459-A463 WeakPolarHBondContact O-CB 3.21Å; A459-A463 PolarHBondContact O-N 2.89Å; M460-A463 PolarHBondContact O-N 3.4Å; R461-A463 VanDerWaalsContact C-N 3.33Å; R461-A463 PolarHBondContact O-N 3.15Å; A463-G466 PolarHBondContact O-N 2.88Å; A463-A467 WeakPolarHBondContact O-CB 3.28Å; A463-A467 PolarHBondContact O-N 3.48Å; A463-L580 HydrophobicContact CB-CB 3.38Å; A463-L580 HydrophobicContact CB-CD1 4.41Å; A463-Q581 HydrophobicContact CB-CB 4.36Å; A463-Q581 WeakPolarHBondContact O-CA 3.49Å; A463-Q581 VanDerWaalsContact O-CB 3.26Å; A463-Q581 WeakPolarHBondContact O-CB 3.42Å; A463-I584 HydrophobicContact CB-CD1 3.78Å
464	L	96.9	Very high	92.8	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-63.1	-45.4	177.3	-174.5	152	0	0	0	110.8	Y441 M460 R461 G466 A467 L468 I584 L613 M617 L632	Y441-L464 HydrophobicContact CD2-CD2 4.46Å; Y441-L464 HydrophobicContact CE2-CD1 4.13Å; M460-L464 WeakPolarHBondContact O-CB 3.27Å; M460-L464 PolarHBondContact O-N 2.78Å; R461-L464 PolarHBondContact O-N 3.35Å; L464-G466 VanDerWaalsContact C-N 3.31Å; L464-G466 PolarHBondContact O-N 3.31Å; L464-A467 PolarHBondContact O-N 3.09Å; L464-L468 HydrophobicContact CD2-CD1 3.69Å; L464-L468 HydrophobicContact CD2-CG 4.28Å; L464-L468 WeakPolarHBondContact O-CG 3.48Å; L464-L468 PolarHBondContact O-N 3.19Å; L464-L468 VanDerWaalsContact O-N 3.1Å; L464-I584 HydrophobicContact CB-CD1 4.24Å; L464-L613 HydrophobicContact CD1-CD2 4.06Å; L464-L613 HydrophobicContact CG-CD2 4.39Å; L464-M617 HydrophobicContact CD1-CE 3.9Å; L464-M617 HydrophobicContact CD1-CG 4.26Å; L464-M617 HydrophobicContact CD2-CE 3.21Å; L464-M617 HydrophobicContact CG-CE 4.19Å; L464-L632 HydrophobicContact CD1-CD1 4.08Å
465	A	94.3	Very high	92.9	Very high	2 Å²	2	16.8 Å²	16.8	2%	0.017	9%	0.092	C	C	.	.	H	α-helix	trans	-62.1	-40.4	177.4	0	0	0	0	0	111.8	R434 A437 R461 N462 L468 A469	R434-A465 HydrophobicContact CG-CB 3.71Å; A437-A465 HydrophobicContact CB-CB 3.72Å; R461-A465 WeakPolarHBondContact O-CB 3.38Å; R461-A465 PolarHBondContact O-N 3.42Å; N462-A465 PolarHBondContact O-N 3.27Å; A465-L468 PolarHBondContact O-N 3.05Å; A465-A469 WeakPolarHBondContact O-CB 3.36Å; A465-A469 PolarHBondContact O-N 3.37Å
466	G	93.9	Very high	93	Very high	8 Å²	8	18.9 Å²	18.9	8%	0.082	10%	0.104	C	C	.	.	H	α-helix	trans	-61.9	-46.2	173.9	0	0	0	0	0	112.7	N462 A463 L464 L468 A469 L470	N462-G466 PolarHBondContact O-N 3.4Å; A463-G466 PolarHBondContact O-N 2.88Å; L464-G466 VanDerWaalsContact C-N 3.31Å; L464-G466 PolarHBondContact O-N 3.31Å; G466-L468 VanDerWaalsContact C-N 3.34Å; G466-L468 PolarHBondContact O-N 3.49Å; G466-A469 PolarHBondContact O-N 2.99Å; G466-L470 WeakPolarHBondContact O-CG 3.26Å; G466-L470 PolarHBondContact O-N 3.19Å
467	A	97.4	Very high	93.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.6	-44.6	177.9	0	0	0	0	0	112	A463 L464 L470 S471 Q581 I584 L585	A463-A467 WeakPolarHBondContact O-CB 3.28Å; A463-A467 PolarHBondContact O-N 3.48Å; L464-A467 PolarHBondContact O-N 3.09Å; A467-L470 PolarHBondContact O-N 3.21Å; A467-S471 PolarHBondContact O-N 2.94Å; A467-S471 VanDerWaalsContact O-N 3.16Å; A467-Q581 VanDerWaalsContact CB-O 3.27Å; A467-Q581 WeakPolarHBondContact CB-O 3.48Å; A467-I584 HydrophobicContact CB-CB 3.98Å; A467-I584 HydrophobicContact CB-CG2 3.69Å; A467-L585 HydrophobicContact CB-CB 4.12Å
468	L	97.4	Very high	93.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.3	-43.5	177.1	-65.2	178.6	0	0	0	111.5	F374 Y375 A437 L464 A465 G466 L470 S471 V472 L588 L603 L613 M617	F374-L468 HydrophobicContact CE1-CB 4.41Å; F374-L468 HydrophobicContact CE1-CD2 4.18Å; F374-L468 HydrophobicContact CZ-CD2 4.31Å; Y375-L468 HydrophobicContact CE1-CD1 3.73Å; Y375-L468 WeakPolarHBondContact OH-CD1 3.09Å; A437-L468 HydrophobicContact CB-CD1 3.87Å; L464-L468 HydrophobicContact CD2-CD1 3.69Å; L464-L468 HydrophobicContact CD2-CG 4.28Å; L464-L468 WeakPolarHBondContact O-CG 3.48Å; L464-L468 PolarHBondContact O-N 3.19Å; L464-L468 VanDerWaalsContact O-N 3.1Å; A465-L468 PolarHBondContact O-N 3.05Å; G466-L468 VanDerWaalsContact C-N 3.34Å; G466-L468 PolarHBondContact O-N 3.49Å; L468-L470 VanDerWaalsContact C-N 3.35Å; L468-L470 PolarHBondContact O-N 3.34Å; L468-S471 PolarHBondContact O-N 3.03Å; L468-S471 PolarHBondContact O-OG 2.91Å; L468-V472 WeakPolarHBondContact O-CG2 3.26Å; L468-V472 PolarHBondContact O-N 3.15Å; L468-L588 HydrophobicContact CD2-CD1 4.41Å; L468-L603 HydrophobicContact CD2-CD1 3.88Å; L468-L613 HydrophobicContact CD2-CD1 3.94Å; L468-M617 HydrophobicContact CD1-CE 4.46Å
469	A	93.1	Very high	93.9	Very high	15 Å²	15	19.2 Å²	19.2	12%	0.124	10%	0.098	C	C	.	.	H	α-helix	trans	-62.5	-38.9	176.5	0	0	0	0	0	112.6	R434 A465 G466 S471 V472 N473	R434-A469 HydrophobicContact CB-CB 4.26Å; A465-A469 WeakPolarHBondContact O-CB 3.36Å; A465-A469 PolarHBondContact O-N 3.37Å; G466-A469 PolarHBondContact O-N 2.99Å; A469-S471 VanDerWaalsContact C-N 3.32Å; A469-S471 PolarHBondContact O-N 2.93Å; A469-V472 PolarHBondContact O-N 3.16Å; A469-N473 PolarHBondContact O-N 3.42Å
470	L	94.5	Very high	94	Very high	21 Å²	21	24 Å²	24	11%	0.11	12%	0.124	C	C	.	.	H	α-helix	trans	-60.3	-41.2	173.8	-73.1	170.6	0	0	0	111.4	G466 A467 L468 V472 N473 I501 Q581 F582 L585	G466-L470 WeakPolarHBondContact O-CG 3.26Å; G466-L470 PolarHBondContact O-N 3.19Å; A467-L470 PolarHBondContact O-N 3.21Å; L468-L470 VanDerWaalsContact C-N 3.35Å; L468-L470 PolarHBondContact O-N 3.34Å; L470-V472 PolarHBondContact O-N 2.84Å; L470-N473 PolarHBondContact O-N 3.15Å; L470-N473 VanDerWaalsContact O-N 3.14Å; L470-I501 HydrophobicContact CD2-CD1 4.29Å; L470-Q581 HydrophobicContact CD1-CG 4.07Å; L470-F582 HydrophobicContact CD1-CD1 4.12Å; L470-F582 HydrophobicContact CD1-CE1 3.85Å; L470-F582 HydrophobicContact CD1-CZ 4.35Å; L470-L585 HydrophobicContact CB-CD2 3.98Å; L470-L585 HydrophobicContact CD1-CD2 4.19Å
471	S	96.9	Very high	94	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-68.4	-21.5	179.8	80.1	0	0	0	0	114.8	F374 A467 L468 A469 T474 S602	F374-S471 WeakPolarHBondContact CZ-OG 3.28Å; A467-S471 PolarHBondContact O-N 2.94Å; A467-S471 VanDerWaalsContact O-N 3.16Å; L468-S471 PolarHBondContact O-N 3.03Å; L468-S471 PolarHBondContact O-OG 2.91Å; A469-S471 VanDerWaalsContact C-N 3.32Å; A469-S471 PolarHBondContact O-N 2.93Å; S471-T474 PolarHBondContact O-OG1 2.63Å; S471-S602 PolarHBondContact O-OG 3.28Å
472	V	96	Very high	94.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-80.6	-29.9	175.1	170.4	0	0	0	0	110.6	F374 F429 L430 H433 L468 A469 L470 T474 F477	F374-V472 HydrophobicContact CD2-CG2 3.86Å; F374-V472 HydrophobicContact CE2-CG2 3.78Å; F374-V472 HydrophobicContact CG-CG2 4.28Å; F374-V472 HydrophobicContact CZ-CG2 4.13Å; F429-V472 HydrophobicContact CD1-CG1 4.36Å; F429-V472 HydrophobicContact CE1-CG1 3.7Å; L430-V472 HydrophobicContact CD2-CG1 4.05Å; H433-V472 HydrophobicContact CB-CG2 4.29Å; H433-V472 VanDerWaalsContact CD2-CG2 3.46Å; H433-V472 WeakPolarHBondContact CD2-CG2 3.31Å; L468-V472 WeakPolarHBondContact O-CG2 3.26Å; L468-V472 PolarHBondContact O-N 3.15Å; A469-V472 PolarHBondContact O-N 3.16Å; L470-V472 PolarHBondContact O-N 2.84Å; V472-T474 PolarHBondContact O-N 2.85Å; V472-F477 HydrophobicContact CG1-CD1 3.89Å; V472-F477 HydrophobicContact CG1-CE1 3.63Å; V472-F477 HydrophobicContact CG1-CG 4.45Å; V472-F477 HydrophobicContact CG1-CZ 3.97Å; V472-F477 HydrophobicContact CG2-CE2 4.47Å; V472-F477 WeakPolarHBondContact O-CB 3.15Å; V472-F477 WeakPolarHBondContact O-CD1 3.43Å; V472-F477 WeakPolarHBondContact O-CG 3.19Å
473	N	91.7	Very high	94.4	Very high	43 Å²	43	22.1 Å²	22.1	23%	0.23	13%	0.128	C	C	.	.	S	Bend	trans	-84.6	50.1	-176.6	-159.1	25	0	0	0	113.7	L351 H426 L430 A469 L470 Y478	L351-N473 WeakPolarHBondContact CD2-OD1 3.3Å; H426-N473 PolarHBondContact CE1-OD1 3.42Å; L430-N473 HydrophobicContact CD1-CB 4.21Å; L430-N473 HydrophobicContact CD2-CB 3.85Å; A469-N473 PolarHBondContact O-N 3.42Å; L470-N473 PolarHBondContact O-N 3.15Å; L470-N473 VanDerWaalsContact O-N 3.14Å; N473-Y478 PolarHBondContact OD1-OH 2.97Å
474	T	92.7	Very high	94.2	Very high	4 Å²	4	22.1 Å²	22.1	3%	0.025	13%	0.129	C	C	.	.	S	Bend	trans	-131	148.8	-174.6	60.8	0	0	0	0	112.1	S471 V472 T476 F477 Y478	S471-T474 PolarHBondContact O-OG1 2.63Å; V472-T474 PolarHBondContact O-N 2.85Å; T474-T476 PolarHBondContact O-N 3.37Å; T474-F477 PolarHBondContact O-N 2.96Å; T474-F477 VanDerWaalsContact O-N 3.13Å; T474-F477 WeakPolarHBondContact OG1-CB 3.21Å; T474-F477 PolarHBondContact OG1-N 3.23Å; T474-Y478 WeakPolarHBondContact O-CD2 3.17Å; T474-Y478 PolarHBondContact O-N 3.21Å; T474-Y478 VanDerWaalsContact O-N 3.1Å
475	E	91.9	Very high	93.6	Very high	51 Å²	51	25.9 Å²	25.9	24%	0.238	16%	0.155	C	C	.	.	H	α-helix	trans	-53.3	-42.9	173.1	-179.5	172.5	148.7	0	0	111.5	F477 Y478 K479 V487 T488 I489	E475-F477 PolarHBondContact O-N 3.17Å; E475-Y478 PolarHBondContact O-N 3Å; E475-K479 HydrophobicContact CG-CD 3.87Å; E475-K479 HydrophobicContact CG-CG 4.31Å; E475-K479 WeakPolarHBondContact O-CB 3.36Å; E475-K479 WeakPolarHBondContact O-CG 3.3Å; E475-K479 PolarHBondContact O-N 2.97Å; E475-K479 VanDerWaalsContact OE1-CE 3.26Å; E475-K479 WeakPolarHBondContact OE1-CE 3.42Å; E475-K479 IonicContact OE1-NZ 3.93Å; E475-K479 PolarHBondContact OE1-NZ 2.62Å; E475-V487 HydrophobicContact CB-CG1 4.45Å; E475-V487 HydrophobicContact CG-CG1 4.02Å; E475-T488 WeakPolarHBondContact OE2-CA 3.34Å; E475-I489 HydrophobicContact CB-CD1 3.8Å; E475-I489 HydrophobicContact CB-CG1 4.14Å; E475-I489 PolarHBondContact OE2-N 2.69Å
476	T	92.4	Very high	93.3	Very high	56 Å²	56	30.5 Å²	30.5	34%	0.344	18%	0.18	S	C	.	.	H	α-helix	trans	-55.4	-48.1	176.6	-52	0	0	0	0	112	T474 N480	T474-T476 PolarHBondContact O-N 3.37Å; T476-N480 VanDerWaalsContact O-CB 3.31Å; T476-N480 WeakPolarHBondContact O-CB 3.5Å; T476-N480 PolarHBondContact O-N 3.07Å; T476-N480 PolarHBondContact O-ND2 3.16Å
477	F	95.4	Very high	92.9	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-62.4	-49.4	178	177.1	-97.6	0	0	0	111.7	F374 F429 H433 V472 T474 E475 K479 N480 T481 I483 Y604	F374-F477 HydrophobicContact CD2-CD2 4.32Å; F374-F477 AromaticContact CD2-CE2 3.8Å; F374-F477 HydrophobicContact CD2-CE2 3.8Å; F429-F477 AromaticContact CE1-CE1 3.93Å; F429-F477 HydrophobicContact CE1-CE1 3.93Å; F429-F477 AromaticContact CZ-CE1 3.92Å; F429-F477 HydrophobicContact CZ-CE1 3.92Å; F429-F477 HydrophobicContact CZ-CZ 4.44Å; H433-F477 AromaticContact NE2-CZ 3.98Å; V472-F477 HydrophobicContact CG1-CD1 3.89Å; V472-F477 HydrophobicContact CG1-CE1 3.63Å; V472-F477 HydrophobicContact CG1-CG 4.45Å; V472-F477 HydrophobicContact CG1-CZ 3.97Å; V472-F477 HydrophobicContact CG2-CE2 4.47Å; V472-F477 WeakPolarHBondContact O-CB 3.15Å; V472-F477 WeakPolarHBondContact O-CD1 3.43Å; V472-F477 WeakPolarHBondContact O-CG 3.19Å; T474-F477 PolarHBondContact O-N 2.96Å; T474-F477 VanDerWaalsContact O-N 3.13Å; T474-F477 WeakPolarHBondContact OG1-CB 3.21Å; T474-F477 PolarHBondContact OG1-N 3.23Å; E475-F477 PolarHBondContact O-N 3.17Å; F477-K479 VanDerWaalsContact C-N 3.3Å; F477-K479 PolarHBondContact O-N 3.16Å; F477-N480 PolarHBondContact O-N 3.44Å; F477-T481 HydrophobicContact CD2-CG2 4.09Å; F477-T481 HydrophobicContact CE1-CG2 4.09Å; F477-T481 HydrophobicContact CE2-CG2 3.63Å; F477-T481 HydrophobicContact CZ-CG2 3.66Å; F477-T481 WeakPolarHBondContact O-CB 3.28Å; F477-T481 WeakPolarHBondContact O-CG2 3.36Å; F477-T481 PolarHBondContact O-N 2.82Å; F477-T481 PolarHBondContact O-OG1 2.89Å; F477-I483 HydrophobicContact CE1-CD1 4.14Å; F477-Y604 HydrophobicContact CD2-CD2 4.23Å; F477-Y604 HydrophobicContact CD2-CG 4.13Å; F477-Y604 AromaticContact CE2-CD2 3.83Å; F477-Y604 HydrophobicContact CE2-CD2 3.83Å; F477-Y604 HydrophobicContact CE2-CE2 4.41Å; F477-Y604 HydrophobicContact CE2-CG 4.19Å
478	Y	94.8	Very high	92.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.3	-32.4	-176.4	-62.9	-52.3	0	0	0	113.1	L351 I353 H426 F429 N473 T474 E475 T481 G482 I483 A484	L351-Y478 HydrophobicContact CD2-CD2 4.29Å; L351-Y478 HydrophobicContact CD2-CE2 3.66Å; L351-Y478 HydrophobicContact CG-CE2 4.32Å; I353-Y478 HydrophobicContact CD1-CD1 4.19Å; I353-Y478 HydrophobicContact CD1-CE1 3.47Å; I353-Y478 VanDerWaalsContact CD1-CE1 3.47Å; I353-Y478 HydrophobicContact CG2-CD1 4.2Å; I353-Y478 HydrophobicContact CG2-CD2 4.19Å; I353-Y478 HydrophobicContact CG2-CE1 3.94Å; I353-Y478 HydrophobicContact CG2-CE2 3.94Å; I353-Y478 HydrophobicContact CG2-CG 4.33Å; H426-Y478 PolarHBondContact CE1-OH 2.75Å; F429-Y478 HydrophobicContact CD1-CE1 4.48Å; F429-Y478 AromaticContact CE1-CE1 3.97Å; F429-Y478 HydrophobicContact CE1-CE1 3.97Å; N473-Y478 PolarHBondContact OD1-OH 2.97Å; T474-Y478 WeakPolarHBondContact O-CD2 3.17Å; T474-Y478 PolarHBondContact O-N 3.21Å; T474-Y478 VanDerWaalsContact O-N 3.1Å; E475-Y478 PolarHBondContact O-N 3Å; Y478-T481 PolarHBondContact O-OG1 3.36Å; Y478-G482 PolarHBondContact O-N 3.04Å; Y478-I483 HydrophobicContact CD1-CB 4.37Å; Y478-I483 HydrophobicContact CD1-CG2 4.39Å; Y478-I483 PolarHBondContact O-N 3.45Å; Y478-I483 VanDerWaalsContact O-N 3.11Å; Y478-A484 PolarHBondContact O-N 2.96Å
479	K	92.7	Very high	91.5	Very high	83 Å²	83	37.9 Å²	37.9	36%	0.361	22%	0.221	S	C	.	.	H	α-helix	trans	-69.8	-49.5	172.3	-74.2	-177.2	172.6	178.9	0	111.9	E475 F477 T481 G482 S485 V487	E475-K479 HydrophobicContact CG-CD 3.87Å; E475-K479 HydrophobicContact CG-CG 4.31Å; E475-K479 WeakPolarHBondContact O-CB 3.36Å; E475-K479 WeakPolarHBondContact O-CG 3.3Å; E475-K479 PolarHBondContact O-N 2.97Å; E475-K479 VanDerWaalsContact OE1-CE 3.26Å; E475-K479 WeakPolarHBondContact OE1-CE 3.42Å; E475-K479 IonicContact OE1-NZ 3.93Å; E475-K479 PolarHBondContact OE1-NZ 2.62Å; F477-K479 VanDerWaalsContact C-N 3.3Å; F477-K479 PolarHBondContact O-N 3.16Å; K479-T481 PolarHBondContact O-N 2.78Å; K479-G482 PolarHBondContact O-N 3.47Å; K479-G482 VanDerWaalsContact O-N 3.13Å; K479-S485 WeakPolarHBondContact CE-O 3.36Å; K479-V487 WeakPolarHBondContact CE-O 3.44Å
480	N	92.4	Very high	91.3	Very high	101 Å²	101	39 Å²	39	54%	0.54	23%	0.234	S	C	.	.	H	α-helix	trans	-64.6	-28.7	-178.3	-72.8	-11.9	0	0	0	113.2	T476 F477 Y604	T476-N480 VanDerWaalsContact O-CB 3.31Å; T476-N480 WeakPolarHBondContact O-CB 3.5Å; T476-N480 PolarHBondContact O-N 3.07Å; T476-N480 PolarHBondContact O-ND2 3.16Å; F477-N480 PolarHBondContact O-N 3.44Å; N480-Y604 HydrophobicContact CB-CD1 4.13Å; N480-Y604 HydrophobicContact CB-CE1 4.34Å
481	T	94.1	Very high	91.2	Very high	39 Å²	39	41.9 Å²	41.9	24%	0.239	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-9.4	177.3	55.1	0	0	0	0	113.7	F477 Y478 K479 I483 Y604	F477-T481 HydrophobicContact CD2-CG2 4.09Å; F477-T481 HydrophobicContact CE1-CG2 4.09Å; F477-T481 HydrophobicContact CE2-CG2 3.63Å; F477-T481 HydrophobicContact CZ-CG2 3.66Å; F477-T481 WeakPolarHBondContact O-CB 3.28Å; F477-T481 WeakPolarHBondContact O-CG2 3.36Å; F477-T481 PolarHBondContact O-N 2.82Å; F477-T481 PolarHBondContact O-OG1 2.89Å; Y478-T481 PolarHBondContact O-OG1 3.36Å; K479-T481 PolarHBondContact O-N 2.78Å; T481-I483 PolarHBondContact O-N 3.3Å; T481-I483 WeakPolarHBondContact OG1-CD1 3.38Å; T481-I483 WeakPolarHBondContact OG1-CG1 3.39Å; T481-Y604 HydrophobicContact CG2-CE1 4.24Å; T481-Y604 HydrophobicContact CG2-CE2 4.2Å
482	G	93.5	Very high	91	Very high	34 Å²	34	46.4 Å²	46.4	35%	0.351	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	10.6	-177.3	0	0	0	0	0	114.9	Q360 Y478 K479	Q360-G482 PolarHBondContact NE2-O 2.81Å; Y478-G482 PolarHBondContact O-N 3.04Å; K479-G482 PolarHBondContact O-N 3.47Å; K479-G482 VanDerWaalsContact O-N 3.13Å
483	I	94.1	Very high	90.8	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	29%	0.29	C	S	.	.	S	Bend	trans	-70.1	-38.3	-180	-63.3	171	0	0	0	111	I353 L357 Q360 F362 T370 F429 F477 Y478 T481	I353-I483 HydrophobicContact CD1-CG2 4.24Å; L357-I483 HydrophobicContact CD2-CG2 3.85Å; Q360-I483 PolarHBondContact NE2-O 3.13Å; F362-I483 HydrophobicContact CZ-CD1 4.47Å; F362-I483 HydrophobicContact CZ-CG1 4.13Å; T370-I483 HydrophobicContact CG2-CD1 3.92Å; F429-I483 HydrophobicContact CE1-CD1 4.49Å; F429-I483 HydrophobicContact CE2-CD1 3.93Å; F429-I483 HydrophobicContact CZ-CD1 3.53Å; F477-I483 HydrophobicContact CE1-CD1 4.14Å; Y478-I483 HydrophobicContact CD1-CB 4.37Å; Y478-I483 HydrophobicContact CD1-CG2 4.39Å; Y478-I483 PolarHBondContact O-N 3.45Å; Y478-I483 VanDerWaalsContact O-N 3.11Å; T481-I483 PolarHBondContact O-N 3.3Å; T481-I483 WeakPolarHBondContact OG1-CD1 3.38Å; T481-I483 WeakPolarHBondContact OG1-CG1 3.39Å
484	A	91.4	Very high	90.9	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.008	29%	0.285	C	S	.	.	S	Bend	trans	-149.7	76	175.5	0	0	0	0	0	108.9	Y356 Y478 D486 V487	Y356-A484 HydrophobicContact CD1-CB 3.77Å; Y356-A484 HydrophobicContact CD2-CB 3.92Å; Y356-A484 HydrophobicContact CE1-CB 4.09Å; Y356-A484 HydrophobicContact CE2-CB 4.19Å; Y356-A484 HydrophobicContact CG-CB 3.68Å; Y478-A484 PolarHBondContact O-N 2.96Å; A484-D486 VanDerWaalsContact C-N 3.27Å; A484-D486 PolarHBondContact O-N 2.95Å; A484-V487 HydrophobicContact CB-CB 3.84Å; A484-V487 HydrophobicContact CB-CG1 4.14Å; A484-V487 WeakPolarHBondContact O-CB 3.26Å; A484-V487 WeakPolarHBondContact O-CG1 3.27Å; A484-V487 PolarHBondContact O-N 3.14Å
485	S	85.9	Confident	91.1	Very high	81 Å²	81	46.9 Å²	46.9	57%	0.566	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-25	-173.7	48.6	0	0	0	0	114	K479	K479-S485 WeakPolarHBondContact CE-O 3.36Å
486	D	88	Confident	91.1	Very high	99 Å²	99	44.4 Å²	44.4	53%	0.529	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	1.9	176.8	61.4	-31.1	0	0	0	113.2	Y356 A484 T488	Y356-D486 WeakPolarHBondContact CE1-OD1 3.33Å; A484-D486 VanDerWaalsContact C-N 3.27Å; A484-D486 PolarHBondContact O-N 2.95Å; D486-T488 PolarHBondContact O-N 2.88Å
487	V	85	Confident	91	Very high	10 Å²	10	43.1 Å²	43.1	6%	0.061	27%	0.269	C	S	.	.			trans	-64.3	132.1	176.4	81.1	0	0	0	0	109.8	L351 E475 K479 A484	L351-V487 HydrophobicContact CD1-CG2 3.71Å; E475-V487 HydrophobicContact CB-CG1 4.45Å; E475-V487 HydrophobicContact CG-CG1 4.02Å; K479-V487 WeakPolarHBondContact CE-O 3.44Å; A484-V487 HydrophobicContact CB-CB 3.84Å; A484-V487 HydrophobicContact CB-CG1 4.14Å; A484-V487 WeakPolarHBondContact O-CB 3.26Å; A484-V487 WeakPolarHBondContact O-CG1 3.27Å; A484-V487 PolarHBondContact O-N 3.14Å
488	T	82.1	Confident	91	Very high	110 Å²	110	43.2 Å²	43.2	68%	0.675	27%	0.269	S	S	*	.			trans	-130.5	124.3	172.7	44.5	0	0	0	0	107.8	E475 D486	E475-T488 WeakPolarHBondContact OE2-CA 3.34Å; D486-T488 PolarHBondContact O-N 2.88Å
489	I	82.8	Confident	91	Very high	42 Å²	42	43.2 Å²	43.2	22%	0.215	27%	0.269	C	S	.	.			trans	-98	99	179.8	-52.9	172.5	0	0	0	107.7	L351 E475 T494	L351-I489 HydrophobicContact CD1-CD1 4.37Å; L351-I489 HydrophobicContact CD1-CG1 4.29Å; L351-I489 HydrophobicContact CD2-CD1 3.53Å; L351-I489 HydrophobicContact CD2-CG1 4.29Å; L351-I489 HydrophobicContact CG-CD1 4.45Å; E475-I489 HydrophobicContact CB-CD1 3.8Å; E475-I489 HydrophobicContact CB-CG1 4.14Å; E475-I489 PolarHBondContact OE2-N 2.69Å; I489-T494 WeakPolarHBondContact CG2-OG1 3.19Å
490	G	88.4	Confident	90.9	Very high	39 Å²	39	41.1 Å²	41.1	40%	0.402	26%	0.262	S	S	.	.			trans	-67.9	157	175.7	0	0	0	0	0	112.1	E492 S493 T494	G490-E492 VanDerWaalsContact C-N 3.27Å; G490-E492 PolarHBondContact O-N 2.98Å; G490-S493 WeakPolarHBondContact O-CA 3.37Å; G490-S493 WeakPolarHBondContact O-CB 3.46Å; G490-S493 PolarHBondContact O-N 3.24Å; G490-T494 PolarHBondContact O-N 3.03Å; G490-T494 PolarHBondContact O-OG1 3.42Å
491	A	92.6	Very high	90.8	Very high	81 Å²	81	37.4 Å²	37.4	67%	0.669	24%	0.242	S	C	*	.	H	α-helix	trans	-51.9	-43.1	-178.7	0	0	0	0	0	113	S493 T494 I495	A491-S493 VanDerWaalsContact C-N 3.32Å; A491-S493 PolarHBondContact O-N 3.26Å; A491-T494 WeakPolarHBondContact O-CB 3.39Å; A491-T494 PolarHBondContact O-N 3.46Å; A491-I495 WeakPolarHBondContact O-CG1 3.41Å; A491-I495 PolarHBondContact O-N 3.07Å
492	E	94.2	Very high	90.9	Very high	95 Å²	95	35.6 Å²	35.6	44%	0.444	23%	0.231	S	C	.	.	H	α-helix	trans	-61.7	-38.5	176.8	-62	-171.6	160.3	0	0	112.8	F345 A348 G490 I495 N496	F345-E492 HydrophobicContact CB-CB 3.91Å; F345-E492 HydrophobicContact CB-CG 4.39Å; F345-E492 HydrophobicContact CD1-CB 4.06Å; F345-E492 VanDerWaalsContact CD1-CD 3.44Å; F345-E492 HydrophobicContact CD1-CG 3.63Å; F345-E492 WeakPolarHBondContact CD1-OE1 3.27Å; F345-E492 HydrophobicContact CD2-CB 3.71Å; F345-E492 HydrophobicContact CD2-CG 4.04Å; F345-E492 HydrophobicContact CE1-CG 3.77Å; F345-E492 HydrophobicContact CE2-CB 4.2Å; F345-E492 HydrophobicContact CE2-CG 4.17Å; F345-E492 HydrophobicContact CG-CB 3.63Å; F345-E492 HydrophobicContact CG-CG 3.76Å; F345-E492 HydrophobicContact CZ-CG 4.03Å; A348-E492 HydrophobicContact CB-CB 3.62Å; G490-E492 VanDerWaalsContact C-N 3.27Å; G490-E492 PolarHBondContact O-N 2.98Å; E492-I495 PolarHBondContact O-N 3.24Å; E492-N496 WeakPolarHBondContact O-CB 3.41Å; E492-N496 PolarHBondContact O-N 2.86Å
493	S	91.5	Very high	90.8	Very high	25 Å²	25	34 Å²	34	18%	0.175	21%	0.214	C	C	.	.	H	α-helix	trans	-71.2	-35.1	177.7	-56.3	0	0	0	0	111.4	K349 G490 A491 N496 S497	K349-S493 PolarHBondContact O-OG 2.99Å; G490-S493 WeakPolarHBondContact O-CA 3.37Å; G490-S493 WeakPolarHBondContact O-CB 3.46Å; G490-S493 PolarHBondContact O-N 3.24Å; A491-S493 VanDerWaalsContact C-N 3.32Å; A491-S493 PolarHBondContact O-N 3.26Å; S493-N496 PolarHBondContact O-N 3.31Å; S493-S497 WeakPolarHBondContact O-CB 3.39Å; S493-S497 PolarHBondContact O-N 2.98Å; S493-S497 PolarHBondContact O-OG 3.37Å
494	T	93.3	Very high	90.5	Very high	19 Å²	19	37.8 Å²	37.8	12%	0.117	23%	0.228	C	C	.	.	H	α-helix	trans	-61.1	-48.6	171.4	-59.2	0	0	0	0	111	I489 G490 A491 N496 S497 M498	I489-T494 WeakPolarHBondContact CG2-OG1 3.19Å; G490-T494 PolarHBondContact O-N 3.03Å; G490-T494 PolarHBondContact O-OG1 3.42Å; A491-T494 WeakPolarHBondContact O-CB 3.39Å; A491-T494 PolarHBondContact O-N 3.46Å; T494-N496 PolarHBondContact O-N 2.99Å; T494-S497 PolarHBondContact O-N 3.31Å; T494-S497 VanDerWaalsContact O-N 3.16Å; T494-M498 HydrophobicContact CG2-CE 3.68Å; T494-M498 HydrophobicContact CG2-SD 4.14Å; T494-M498 WeakPolarHBondContact O-CG 3.4Å; T494-M498 PolarHBondContact O-N 3.48Å
495	I	95.8	Very high	90.5	Very high	13 Å²	13	39.2 Å²	39.2	7%	0.067	24%	0.235	C	C	.	.	H	α-helix	trans	-59.4	-47.1	176.3	-63.1	-66.2	0	0	0	110.7	P344 F345 A491 E492 S497 M498 Y499 P649 L650 W653	P344-I495 HydrophobicContact CB-CG2 3.81Å; P344-I495 HydrophobicContact CG-CG2 3.91Å; F345-I495 HydrophobicContact CD2-CB 4.17Å; F345-I495 HydrophobicContact CD2-CG2 4.18Å; F345-I495 HydrophobicContact CE2-CB 3.84Å; F345-I495 HydrophobicContact CE2-CG1 4.09Å; F345-I495 HydrophobicContact CE2-CG2 3.8Å; A491-I495 WeakPolarHBondContact O-CG1 3.41Å; A491-I495 PolarHBondContact O-N 3.07Å; E492-I495 PolarHBondContact O-N 3.24Å; I495-S497 VanDerWaalsContact C-N 3.28Å; I495-S497 PolarHBondContact O-N 3.14Å; I495-M498 PolarHBondContact O-N 2.82Å; I495-Y499 VanDerWaalsContact O-CB 3.28Å; I495-Y499 WeakPolarHBondContact O-CB 3.45Å; I495-Y499 PolarHBondContact O-N 3.29Å; I495-P649 HydrophobicContact CD1-CB 3.73Å; I495-P649 WeakPolarHBondContact CD1-O 3.25Å; I495-L650 HydrophobicContact CG2-CD1 3.93Å; I495-W653 HydrophobicContact CD1-CB 3.95Å; I495-W653 HydrophobicContact CD1-CG 4.46Å; I495-W653 HydrophobicContact CG2-CD2 4.13Å; I495-W653 HydrophobicContact CG2-CE3 4.37Å; I495-W653 HydrophobicContact CG2-CG 4.16Å
496	N	93.8	Very high	90.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.7	-35.8	177	-79.4	-0.3	0	0	0	112.7	Y339 V343 P344 F345 A348 E492 S493 T494 D500	Y339-N496 VanDerWaalsContact CE2-O 3.23Å; Y339-N496 WeakPolarHBondContact CE2-O 3.46Å; Y339-N496 PolarHBondContact OH-O 2.93Å; Y339-N496 VanDerWaalsContact OH-O 3.07Å; V343-N496 HydrophobicContact CG2-CB 4.24Å; V343-N496 VanDerWaalsContact CG2-ND2 3.34Å; V343-N496 WeakPolarHBondContact CG2-ND2 3.49Å; V343-N496 VanDerWaalsContact CG2-OD1 3.25Å; V343-N496 WeakPolarHBondContact CG2-OD1 3.49Å; P344-N496 WeakPolarHBondContact CB-OD1 3.34Å; P344-N496 WeakPolarHBondContact CD-OD1 3.32Å; F345-N496 PolarHBondContact N-OD1 2.88Å; F345-N496 PolarHBondContact O-ND2 3.33Å; A348-N496 PolarHBondContact O-ND2 3.47Å; E492-N496 WeakPolarHBondContact O-CB 3.41Å; E492-N496 PolarHBondContact O-N 2.86Å; S493-N496 PolarHBondContact O-N 3.31Å; T494-N496 PolarHBondContact O-N 2.99Å; N496-D500 PolarHBondContact O-N 3.38Å
497	S	90.2	Very high	91.1	Very high	29 Å²	29	30.7 Å²	30.7	20%	0.203	18%	0.183	C	C	.	.	H	α-helix	trans	-73.2	-42.8	178.5	-55.5	0	0	0	0	111.5	S493 T494 I495 Y499 D500 I501	S493-S497 WeakPolarHBondContact O-CB 3.39Å; S493-S497 PolarHBondContact O-N 2.98Å; S493-S497 PolarHBondContact O-OG 3.37Å; T494-S497 PolarHBondContact O-N 3.31Å; T494-S497 VanDerWaalsContact O-N 3.16Å; I495-S497 VanDerWaalsContact C-N 3.28Å; I495-S497 PolarHBondContact O-N 3.14Å; S497-Y499 VanDerWaalsContact C-N 3.28Å; S497-Y499 PolarHBondContact O-N 3.2Å; S497-D500 WeakPolarHBondContact O-CB 3.42Å; S497-D500 PolarHBondContact O-N 2.91Å; S497-I501 WeakPolarHBondContact O-CG1 3Å; S497-I501 PolarHBondContact O-N 3.44Å
498	M	94.4	Very high	91.4	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.015	18%	0.181	C	C	.	.	H	α-helix	trans	-63.3	-36.8	173.8	-69.5	176.5	175.3	0	0	111.8	T494 I495 I501 A502 H599 Y646 P649 L650	T494-M498 HydrophobicContact CG2-CE 3.68Å; T494-M498 HydrophobicContact CG2-SD 4.14Å; T494-M498 WeakPolarHBondContact O-CG 3.4Å; T494-M498 PolarHBondContact O-N 3.48Å; I495-M498 PolarHBondContact O-N 2.82Å; M498-I501 PolarHBondContact O-N 3.37Å; M498-A502 WeakPolarHBondContact O-CB 3.47Å; M498-A502 PolarHBondContact O-N 3.21Å; M498-H599 HydrophobicContact CE-CB 3.57Å; M498-H599 WeakPolarHBondContact CE-ND1 3.46Å; M498-Y646 HydrophobicContact CE-CE1 4.47Å; M498-Y646 WeakPolarHBondContact CE-O 2.91Å; M498-Y646 HydrophobicContact CG-CE1 4.37Å; M498-P649 HydrophobicContact CE-CB 4.47Å; M498-P649 HydrophobicContact CE-CG 3.92Å; M498-P649 HydrophobicContact SD-CB 4.04Å; M498-P649 HydrophobicContact SD-CG 4.08Å; M498-L650 HydrophobicContact CB-CB 3.83Å; M498-L650 HydrophobicContact CB-CD2 3.98Å; M498-L650 HydrophobicContact CB-CG 4.42Å; M498-L650 HydrophobicContact SD-CB 4.11Å
499	Y	95.4	Very high	92.1	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.5	-39.3	177.4	-174	-112.4	0	0	0	112.2	L282 Y285 V286 Y339 T342 P344 I495 S497 A502 L503 L650	L282-Y499 HydrophobicContact CD1-CD2 3.98Å; L282-Y499 HydrophobicContact CD1-CE2 3.49Å; L282-Y499 VanDerWaalsContact CD1-CE2 3.49Å; Y285-Y499 AromaticContact CD1-CE2 3.85Å; Y285-Y499 HydrophobicContact CD1-CE2 3.85Å; Y285-Y499 AromaticContact CE1-CE2 3.84Å; Y285-Y499 HydrophobicContact CE1-CE2 3.84Å; Y285-Y499 AromaticContact CE1-CZ 3.74Å; V286-Y499 WeakPolarHBondContact CG2-OH 3.43Å; Y339-Y499 AromaticContact CD2-CD1 3.73Å; Y339-Y499 HydrophobicContact CD2-CD1 3.73Å; Y339-Y499 HydrophobicContact CD2-CE1 4.23Å; Y339-Y499 AromaticContact CE2-CD1 3.92Å; Y339-Y499 HydrophobicContact CE2-CD1 3.92Å; T342-Y499 WeakPolarHBondContact CB-OH 3.14Å; T342-Y499 VanDerWaalsContact O-CE1 3.23Å; T342-Y499 WeakPolarHBondContact O-CE1 3.4Å; T342-Y499 WeakPolarHBondContact OG1-CE1 3.13Å; T342-Y499 PolarHBondContact OG1-OH 2.99Å; P344-Y499 VanDerWaalsContact CD-CD1 3.43Å; P344-Y499 HydrophobicContact CG-CD1 4.17Å; P344-Y499 HydrophobicContact CG-CD2 4.28Å; P344-Y499 HydrophobicContact CG-CG 3.93Å; I495-Y499 VanDerWaalsContact O-CB 3.28Å; I495-Y499 WeakPolarHBondContact O-CB 3.45Å; I495-Y499 PolarHBondContact O-N 3.29Å; S497-Y499 VanDerWaalsContact C-N 3.28Å; S497-Y499 PolarHBondContact O-N 3.2Å; Y499-A502 PolarHBondContact O-N 3.31Å; Y499-L503 HydrophobicContact CD1-CD1 4Å; Y499-L503 HydrophobicContact CD1-CG 4.4Å; Y499-L503 HydrophobicContact CE1-CD1 3.46Å; Y499-L503 VanDerWaalsContact CE1-CD1 3.46Å; Y499-L503 HydrophobicContact CE1-CD2 4.45Å; Y499-L503 HydrophobicContact CE1-CG 4.02Å; Y499-L503 HydrophobicContact CE2-CD2 4.19Å; Y499-L503 HydrophobicContact CE2-CG 4.23Å; Y499-L503 WeakPolarHBondContact O-CG 3.35Å; Y499-L503 PolarHBondContact O-N 3.11Å; Y499-L650 HydrophobicContact CD2-CD1 4.15Å
500	D	90.9	Very high	92.7	Very high	38 Å²	38	23 Å²	23	20%	0.203	14%	0.138	C	C	.	.	H	α-helix	trans	-57.6	-49.6	171.8	-175.6	-71.2	0	0	0	110.8	I336 Y339 N496 S497 A502 L503 R504	I336-D500 HydrophobicContact CD1-CB 4.46Å; I336-D500 WeakPolarHBondContact CD1-OD2 3.4Å; Y339-D500 HydrophobicContact CD2-CB 3.98Å; Y339-D500 HydrophobicContact CE2-CB 3.66Å; N496-D500 PolarHBondContact O-N 3.38Å; S497-D500 WeakPolarHBondContact O-CB 3.42Å; S497-D500 PolarHBondContact O-N 2.91Å; D500-A502 VanDerWaalsContact C-N 3.33Å; D500-A502 PolarHBondContact O-N 3.23Å; D500-L503 PolarHBondContact O-N 3.48Å; D500-R504 WeakPolarHBondContact O-CG 3.37Å; D500-R504 PolarHBondContact O-N 2.82Å; D500-R504 WeakPolarHBondContact OD1-CD 3.39Å; D500-R504 IonicContact OD1-CZ 2.58Å; D500-R504 IonicContact OD1-NE 3.74Å; D500-R504 PolarHBondContact OD1-NE 3.13Å; D500-R504 IonicContact OD1-NH2 2.78Å; D500-R504 IonicContact OD2-NE 3Å; D500-R504 IonicContact OD2-NH2 3.31Å
501	I	90.4	Very high	93	Very high	24 Å²	24	21.2 Å²	21.2	12%	0.123	12%	0.119	C	C	.	.	H	α-helix	trans	-60.4	-44	177.7	-60.4	171	0	0	0	110.5	L470 S497 M498 L503 R504 Q505 F582 Y646 M647	L470-I501 HydrophobicContact CD2-CD1 4.29Å; S497-I501 WeakPolarHBondContact O-CG1 3Å; S497-I501 PolarHBondContact O-N 3.44Å; M498-I501 PolarHBondContact O-N 3.37Å; I501-L503 PolarHBondContact O-N 3.4Å; I501-R504 PolarHBondContact O-N 3.29Å; I501-R504 VanDerWaalsContact O-N 3.15Å; I501-Q505 HydrophobicContact CG2-CB 4.5Å; I501-Q505 HydrophobicContact CG2-CG 4.3Å; I501-Q505 VanDerWaalsContact CG2-OE1 3.28Å; I501-Q505 WeakPolarHBondContact O-CB 3.31Å; I501-Q505 PolarHBondContact O-N 2.77Å; I501-F582 HydrophobicContact CG2-CZ 4.08Å; I501-Y646 HydrophobicContact CD1-CE1 4Å; I501-M647 HydrophobicContact CB-CE 4.1Å; I501-M647 HydrophobicContact CG2-CE 3.44Å; I501-M647 VanDerWaalsContact CG2-CE 3.44Å
502	A	95.2	Very high	93.1	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.008	9%	0.087	C	C	.	.	I	π-helix	trans	-62.4	-43	-179.8	0	0	0	0	0	112.1	L282 M498 Y499 D500 R504 V506 A507 M647 L650	L282-A502 HydrophobicContact CD1-CB 4.31Å; L282-A502 HydrophobicContact CD2-CB 4.06Å; M498-A502 WeakPolarHBondContact O-CB 3.47Å; M498-A502 PolarHBondContact O-N 3.21Å; Y499-A502 PolarHBondContact O-N 3.31Å; D500-A502 VanDerWaalsContact C-N 3.33Å; D500-A502 PolarHBondContact O-N 3.23Å; A502-R504 PolarHBondContact O-N 3.1Å; A502-V506 HydrophobicContact CB-CB 4.3Å; A502-V506 HydrophobicContact CB-CG2 4.06Å; A502-V506 WeakPolarHBondContact O-CA 3.43Å; A502-V506 VanDerWaalsContact O-CB 3.32Å; A502-V506 WeakPolarHBondContact O-CB 3.37Å; A502-V506 PolarHBondContact O-N 3.18Å; A502-A507 PolarHBondContact O-N 3.24Å; A502-M647 HydrophobicContact CB-SD 4.21Å; A502-L650 HydrophobicContact CB-CD2 3.66Å
503	L	92.3	Very high	93.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.066	C	C	.	.	I	π-helix	trans	-65.9	-25.1	176	-69.2	180	0	0	0	113.5	L282 V286 W335 I336 Y339 Y499 D500 I501 A507	L282-L503 HydrophobicContact CD1-CD2 4.17Å; V286-L503 HydrophobicContact CG2-CD2 4.02Å; W335-L503 HydrophobicContact CB-CB 4.29Å; W335-L503 HydrophobicContact CB-CD2 3.71Å; W335-L503 HydrophobicContact CE3-CD2 4.1Å; W335-L503 PolarHBondContact N-O 3.5Å; I336-L503 HydrophobicContact CD1-CB 4.36Å; Y339-L503 HydrophobicContact CD2-CD1 4.14Å; Y499-L503 HydrophobicContact CD1-CD1 4Å; Y499-L503 HydrophobicContact CD1-CG 4.4Å; Y499-L503 HydrophobicContact CE1-CD1 3.46Å; Y499-L503 VanDerWaalsContact CE1-CD1 3.46Å; Y499-L503 HydrophobicContact CE1-CD2 4.45Å; Y499-L503 HydrophobicContact CE1-CG 4.02Å; Y499-L503 HydrophobicContact CE2-CD2 4.19Å; Y499-L503 HydrophobicContact CE2-CG 4.23Å; Y499-L503 WeakPolarHBondContact O-CG 3.35Å; Y499-L503 PolarHBondContact O-N 3.11Å; D500-L503 PolarHBondContact O-N 3.48Å; I501-L503 PolarHBondContact O-N 3.4Å; L503-A507 WeakPolarHBondContact O-CB 3.45Å
504	R	88.1	Confident	93.4	Very high	83 Å²	83	11.6 Å²	11.6	31%	0.313	6%	0.058	S	C	.	.	I	π-helix	trans	-86.7	-46	176.9	-68.8	174.5	-171.3	-86.7	3.7	113.1	I336 D500 I501 A502 S508	I336-R504 HydrophobicContact CB-CG 3.89Å; I336-R504 HydrophobicContact CD1-CG 3.79Å; I336-R504 HydrophobicContact CG1-CG 3.9Å; I336-R504 VanDerWaalsContact CG1-CZ 3.4Å; D500-R504 WeakPolarHBondContact O-CG 3.37Å; D500-R504 PolarHBondContact O-N 2.82Å; D500-R504 WeakPolarHBondContact OD1-CD 3.39Å; D500-R504 IonicContact OD1-CZ 2.58Å; D500-R504 IonicContact OD1-NE 3.74Å; D500-R504 PolarHBondContact OD1-NE 3.13Å; D500-R504 IonicContact OD1-NH2 2.78Å; D500-R504 IonicContact OD2-NE 3Å; D500-R504 IonicContact OD2-NH2 3.31Å; I501-R504 PolarHBondContact O-N 3.29Å; I501-R504 VanDerWaalsContact O-N 3.15Å; A502-R504 PolarHBondContact O-N 3.1Å; R504-S508 VanDerWaalsContact O-CB 3.32Å; R504-S508 WeakPolarHBondContact O-CB 3.36Å; R504-S508 PolarHBondContact O-OG 3.14Å
505	Q	89.7	Confident	93.6	Very high	32 Å²	32	10.7 Å²	10.7	15%	0.15	5%	0.052	C	C	.	.	I	π-helix	trans	-109.4	-45.7	-164	-61.7	179.4	-3.5	0	0	112.5	I501 S508 I509 N578 Q581 M643	I501-Q505 HydrophobicContact CG2-CB 4.5Å; I501-Q505 HydrophobicContact CG2-CG 4.3Å; I501-Q505 VanDerWaalsContact CG2-OE1 3.28Å; I501-Q505 WeakPolarHBondContact O-CB 3.31Å; I501-Q505 PolarHBondContact O-N 2.77Å; Q505-S508 PolarHBondContact O-N 3.39Å; Q505-S508 PolarHBondContact O-OG 3.3Å; Q505-I509 WeakPolarHBondContact O-CG1 3.29Å; Q505-I509 PolarHBondContact O-N 2.97Å; Q505-N578 HydrophobicContact CB-CB 4.31Å; Q505-Q581 VanDerWaalsContact CD-NE2 3.27Å; Q505-M643 HydrophobicContact CB-CE 4.33Å
506	V	94.8	Very high	93.6	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.049	C	C	.	.	I	π-helix	trans	-67.4	-46	176.9	179.6	0	0	0	0	109.7	V275 M278 Y279 L282 A502 S508 I509 P510 M643 M647	V275-V506 HydrophobicContact CG2-CG1 4.1Å; M278-V506 HydrophobicContact CE-CB 4.36Å; M278-V506 HydrophobicContact CE-CG1 3.9Å; M278-V506 HydrophobicContact CE-CG2 3.45Å; M278-V506 VanDerWaalsContact CE-CG2 3.45Å; M278-V506 HydrophobicContact CG-CG1 4.27Å; M278-V506 HydrophobicContact SD-CG2 4.02Å; Y279-V506 HydrophobicContact CD2-CG1 4.32Å; L282-V506 HydrophobicContact CD2-CB 4.15Å; L282-V506 HydrophobicContact CD2-CG1 4.13Å; A502-V506 HydrophobicContact CB-CB 4.3Å; A502-V506 HydrophobicContact CB-CG2 4.06Å; A502-V506 WeakPolarHBondContact O-CA 3.43Å; A502-V506 VanDerWaalsContact O-CB 3.32Å; A502-V506 WeakPolarHBondContact O-CB 3.37Å; A502-V506 PolarHBondContact O-N 3.18Å; V506-S508 PolarHBondContact O-N 3.22Å; V506-I509 PolarHBondContact O-N 3.18Å; V506-P510 VanDerWaalsContact O-CD 3.25Å; V506-P510 WeakPolarHBondContact O-CD 2.86Å; V506-M643 HydrophobicContact CB-CE 4.35Å; V506-M643 HydrophobicContact CG2-CE 3.28Å; V506-M647 HydrophobicContact CG2-CE 3.83Å; V506-M647 HydrophobicContact CG2-SD 3.62Å
507	A	93.4	Very high	93.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-22.2	179.3	0	0	0	0	0	113.9	L282 W335 A502 L503	L282-A507 HydrophobicContact CD2-CB 4.28Å; W335-A507 HydrophobicContact CB-CB 4.22Å; W335-A507 HydrophobicContact CD2-CB 3.49Å; W335-A507 VanDerWaalsContact CD2-CB 3.49Å; W335-A507 HydrophobicContact CE3-CB 3.72Å; W335-A507 HydrophobicContact CG-CB 3.74Å; W335-A507 HydrophobicContact CZ2-CB 4.46Å; W335-A507 HydrophobicContact CZ3-CB 4.3Å; A502-A507 PolarHBondContact O-N 3.24Å; L503-A507 WeakPolarHBondContact O-CB 3.45Å
508	S	91.3	Very high	94.1	Very high	2 Å²	2	10 Å²	10	1%	0.014	5%	0.045	C	C	.	.	H	α-helix	trans	-86.1	-20.8	178.7	76.8	0	0	0	0	114.4	S333 R504 Q505 V506 F511 G512 E574 N578	S333-S508 WeakPolarHBondContact O-CA 3.17Å; S333-S508 WeakPolarHBondContact O-CB 3.43Å; R504-S508 VanDerWaalsContact O-CB 3.32Å; R504-S508 WeakPolarHBondContact O-CB 3.36Å; R504-S508 PolarHBondContact O-OG 3.14Å; Q505-S508 PolarHBondContact O-N 3.39Å; Q505-S508 PolarHBondContact O-OG 3.3Å; V506-S508 PolarHBondContact O-N 3.22Å; S508-F511 PolarHBondContact O-N 3.27Å; S508-G512 PolarHBondContact O-N 2.65Å; S508-E574 PolarHBondContact OG-OE1 3.02Å; S508-N578 PolarHBondContact OG-ND2 3.29Å
509	I	95	Very high	94.2	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-58.2	-52.4	179.4	-70.7	160.7	0	0	0	111.6	V275 Q505 V506 F511 G512 V513 V575 V579 M643	V275-I509 HydrophobicContact CB-CD1 4.49Å; V275-I509 HydrophobicContact CG1-CB 4.33Å; V275-I509 HydrophobicContact CG1-CD1 4.46Å; V275-I509 HydrophobicContact CG1-CG2 3.75Å; V275-I509 HydrophobicContact CG2-CD1 4Å; Q505-I509 WeakPolarHBondContact O-CG1 3.29Å; Q505-I509 PolarHBondContact O-N 2.97Å; V506-I509 PolarHBondContact O-N 3.18Å; I509-F511 VanDerWaalsContact C-N 3.3Å; I509-F511 PolarHBondContact O-N 3.36Å; I509-G512 PolarHBondContact O-N 3.18Å; I509-G512 VanDerWaalsContact O-N 3.16Å; I509-V513 HydrophobicContact CG2-CG2 4.21Å; I509-V513 VanDerWaalsContact O-CG2 3.31Å; I509-V513 WeakPolarHBondContact O-CG2 3.11Å; I509-V513 PolarHBondContact O-N 3.41Å; I509-V575 HydrophobicContact CG1-CG1 4.35Å; I509-V575 HydrophobicContact CG2-CG1 4.05Å; I509-V579 HydrophobicContact CD1-CG2 3.94Å; I509-M643 HydrophobicContact CD1-CE 4.3Å; I509-M643 HydrophobicContact CD1-SD 4.21Å
510	P	96.2	Very high	94.3	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-61.5	-38.4	-179.7	-25.5	36.3	0	0	0	113.3	Y272 Y279 V506 L514 Y543 Q544	Y272-P510 HydrophobicContact CD2-CB 4.16Å; Y272-P510 HydrophobicContact CD2-CG 4.19Å; Y272-P510 HydrophobicContact CE2-CB 3.93Å; Y272-P510 HydrophobicContact CE2-CG 4.02Å; Y279-P510 HydrophobicContact CD1-CG 4.07Å; Y279-P510 HydrophobicContact CD2-CG 3.69Å; Y279-P510 HydrophobicContact CE1-CG 4.02Å; Y279-P510 HydrophobicContact CE2-CG 3.65Å; Y279-P510 HydrophobicContact CG-CG 3.9Å; V506-P510 VanDerWaalsContact O-CD 3.25Å; V506-P510 WeakPolarHBondContact O-CD 2.86Å; P510-L514 WeakPolarHBondContact O-CB 3.39Å; P510-L514 WeakPolarHBondContact O-CD2 3.05Å; P510-L514 WeakPolarHBondContact O-CG 3.13Å; P510-L514 PolarHBondContact O-N 2.94Å; P510-Y543 VanDerWaalsContact CB-O 3.31Å; P510-Y543 WeakPolarHBondContact CB-O 2.98Å; P510-Q544 HydrophobicContact CB-CG 4.41Å
511	F	94.4	Very high	94.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-63.7	-44.1	175.7	-173.4	-89.9	0	0	0	112	S508 I509 L514 A515 W536 Y571	S508-F511 PolarHBondContact O-N 3.27Å; I509-F511 VanDerWaalsContact C-N 3.3Å; I509-F511 PolarHBondContact O-N 3.36Å; F511-L514 WeakPolarHBondContact O-CG 3.36Å; F511-A515 HydrophobicContact CE1-CB 4.29Å; F511-A515 WeakPolarHBondContact O-CB 3.34Å; F511-A515 PolarHBondContact O-N 3.13Å; F511-W536 AromaticContact CE2-CH2 3.84Å; F511-W536 HydrophobicContact CE2-CH2 3.84Å; F511-W536 AromaticContact CE2-CZ2 3.88Å; F511-W536 HydrophobicContact CE2-CZ2 3.88Å; F511-W536 AromaticContact CZ-CH2 3.74Å; F511-W536 HydrophobicContact CZ-CH2 3.74Å; F511-W536 HydrophobicContact CZ-CZ2 4.08Å; F511-Y571 HydrophobicContact CD1-CD1 4.32Å; F511-Y571 AromaticContact CD1-CE1 3.81Å; F511-Y571 HydrophobicContact CD1-CE1 3.81Å; F511-Y571 HydrophobicContact CD1-CE2 4.33Å; F511-Y571 AromaticContact CD1-CZ 3.84Å; F511-Y571 AromaticContact CE1-CE1 3.91Å; F511-Y571 HydrophobicContact CE1-CE1 3.91Å; F511-Y571 AromaticContact CE1-CE2 3.77Å; F511-Y571 HydrophobicContact CE1-CE2 3.77Å; F511-Y571 AromaticContact CE1-CZ 3.42Å; F511-Y571 VanDerWaalsContact CE1-CZ 3.42Å; F511-Y571 WeakPolarHBondContact CE1-OH 3.18Å
512	G	94.3	Very high	94.9	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-65.6	-43	179.8	0	0	0	0	0	112.6	S508 I509 A515 D516 Y571	S508-G512 PolarHBondContact O-N 2.65Å; I509-G512 PolarHBondContact O-N 3.18Å; I509-G512 VanDerWaalsContact O-N 3.16Å; G512-A515 PolarHBondContact O-N 2.91Å; G512-D516 PolarHBondContact O-N 3.37Å; G512-D516 VanDerWaalsContact O-N 3.07Å; G512-Y571 VanDerWaalsContact CA-CB 3.46Å
513	V	97.1	Very high	94.9	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-61.1	-51	176.4	172.8	0	0	0	0	110.5	L268 I509 A515 D516 K517 Y543 V575	L268-V513 HydrophobicContact CB-CG1 4.26Å; L268-V513 HydrophobicContact CB-CG2 4.15Å; L268-V513 HydrophobicContact CD2-CG2 4.49Å; I509-V513 HydrophobicContact CG2-CG2 4.21Å; I509-V513 VanDerWaalsContact O-CG2 3.31Å; I509-V513 WeakPolarHBondContact O-CG2 3.11Å; I509-V513 PolarHBondContact O-N 3.41Å; V513-A515 VanDerWaalsContact C-N 3.33Å; V513-A515 PolarHBondContact O-N 2.56Å; V513-D516 PolarHBondContact O-N 2.78Å; V513-K517 HydrophobicContact CG1-CD 4.42Å; V513-K517 HydrophobicContact CG1-CG 4.48Å; V513-K517 WeakPolarHBondContact O-CB 3.2Å; V513-K517 WeakPolarHBondContact O-CG 2.89Å; V513-K517 PolarHBondContact O-N 3.09Å; V513-Y543 HydrophobicContact CG1-CD1 4.32Å; V513-Y543 HydrophobicContact CG1-CE1 4.21Å; V513-V575 HydrophobicContact CG2-CG1 4.1Å
514	L	96.6	Very high	95	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-65.5	-37.2	-177.8	82.4	83.3	0	0	0	112.1	P510 F511 W518 W536 R540 Y543 Q544	P510-L514 WeakPolarHBondContact O-CB 3.39Å; P510-L514 WeakPolarHBondContact O-CD2 3.05Å; P510-L514 WeakPolarHBondContact O-CG 3.13Å; P510-L514 PolarHBondContact O-N 2.94Å; F511-L514 WeakPolarHBondContact O-CG 3.36Å; L514-W518 WeakPolarHBondContact O-CB 3.46Å; L514-W518 PolarHBondContact O-N 3.11Å; L514-W536 HydrophobicContact CD1-CE3 4.19Å; L514-W536 HydrophobicContact CD1-CH2 3.94Å; L514-W536 HydrophobicContact CD1-CZ2 4.49Å; L514-W536 HydrophobicContact CD1-CZ3 3.78Å; L514-R540 HydrophobicContact CD1-CG 4.16Å; L514-R540 HydrophobicContact CD2-CG 4.47Å; L514-Y543 HydrophobicContact CB-CD2 3.68Å; L514-Y543 HydrophobicContact CB-CG 3.95Å; L514-Q544 HydrophobicContact CD2-CB 4.04Å
515	A	96	Very high	95.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-68.4	-42.5	-179.7	0	0	0	0	0	112	F511 G512 V513 R519 W536 Y571	F511-A515 HydrophobicContact CE1-CB 4.29Å; F511-A515 WeakPolarHBondContact O-CB 3.34Å; F511-A515 PolarHBondContact O-N 3.13Å; G512-A515 PolarHBondContact O-N 2.91Å; V513-A515 VanDerWaalsContact C-N 3.33Å; V513-A515 PolarHBondContact O-N 2.56Å; A515-R519 WeakPolarHBondContact O-CG 3.28Å; A515-R519 PolarHBondContact O-N 3.2Å; A515-W536 HydrophobicContact CB-CH2 4.34Å; A515-W536 HydrophobicContact CB-CZ3 4.15Å; A515-Y571 HydrophobicContact CB-CD2 3.76Å; A515-Y571 HydrophobicContact CB-CE2 4.18Å; A515-Y571 HydrophobicContact CB-CG 4.42Å
516	D	96.6	Very high	95.6	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-71.8	-37.4	176.9	-83.5	12.5	0	0	0	112.1	L268 G512 V513 R519 W520 Y571 N572	L268-D516 HydrophobicContact CD1-CB 3.97Å; G512-D516 PolarHBondContact O-N 3.37Å; G512-D516 VanDerWaalsContact O-N 3.07Å; V513-D516 PolarHBondContact O-N 2.78Å; D516-R519 PolarHBondContact O-N 3.36Å; D516-R519 IonicContact OD1-CZ 3.02Å; D516-R519 IonicContact OD1-NE 3.79Å; D516-R519 IonicContact OD1-NH2 3.46Å; D516-R519 PolarHBondContact OD1-NH2 3.14Å; D516-W520 WeakPolarHBondContact O-CB 3.47Å; D516-W520 PolarHBondContact O-N 2.01Å; D516-Y571 PolarHBondContact OD1-N 2.77Å; D516-Y571 PolarHBondContact OD2-N 2.87Å; D516-Y571 VanDerWaalsContact OD2-N 3.16Å; D516-N572 VanDerWaalsContact OD2-CB 3.25Å; D516-N572 WeakPolarHBondContact OD2-CB 3.13Å; D516-N572 PolarHBondContact OD2-N 3.04Å; D516-N572 PolarHBondContact OD2-ND2 2.91Å
517	K	97	Very high	95.6	Very high	27 Å²	27	17.2 Å²	17.2	12%	0.117	10%	0.102	C	C	.	.	H	α-helix	trans	-61.6	-45.3	172	-75.6	-158.3	74.9	178.7	0	112.2	M265 E269 V513 R519 W520 Q521 Y539 Y543	M265-K517 HydrophobicContact SD-CB 4.47Å; M265-K517 HydrophobicContact SD-CG 3.89Å; E269-K517 VanDerWaalsContact CD-NZ 3.26Å; E269-K517 HydrophobicContact CG-CD 4Å; E269-K517 IonicContact OE1-NZ 3.53Å; E269-K517 PolarHBondContact OE1-NZ 2.87Å; E269-K517 IonicContact OE2-NZ 2.89Å; V513-K517 HydrophobicContact CG1-CD 4.42Å; V513-K517 HydrophobicContact CG1-CG 4.48Å; V513-K517 WeakPolarHBondContact O-CB 3.2Å; V513-K517 WeakPolarHBondContact O-CG 2.89Å; V513-K517 PolarHBondContact O-N 3.09Å; K517-R519 VanDerWaalsContact C-N 3.35Å; K517-R519 PolarHBondContact O-N 3.41Å; K517-W520 WeakPolarHBondContact O-CB 3.49Å; K517-W520 PolarHBondContact O-N 2.87Å; K517-Q521 WeakPolarHBondContact O-CG 3.37Å; K517-Q521 PolarHBondContact O-N 3.17Å; K517-Q521 VanDerWaalsContact O-N 3.07Å; K517-Y539 HydrophobicContact CB-CD2 4.41Å; K517-Y539 HydrophobicContact CB-CE2 3.81Å; K517-Y543 HydrophobicContact CD-CE2 4.5Å; K517-Y543 WeakPolarHBondContact CD-OH 3.47Å; K517-Y543 PolarHBondContact NZ-OH 2.89Å; K517-Y543 VanDerWaalsContact NZ-OH 3.16Å
518	W	97.3	Very high	95.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.9	-46.7	176.8	178.3	92.2	0	0	0	110.8	Y231 L514 W520 Q521 V522 L532 W536 Y539 F557 P559 I565	Y231-W518 HydrophobicContact CD1-CH2 4.47Å; Y231-W518 AromaticContact CE1-CH2 3.91Å; Y231-W518 HydrophobicContact CE1-CH2 3.91Å; Y231-W518 AromaticContact CE1-CZ3 3.91Å; Y231-W518 HydrophobicContact CE1-CZ3 3.91Å; L514-W518 WeakPolarHBondContact O-CB 3.46Å; L514-W518 PolarHBondContact O-N 3.11Å; W518-W520 PolarHBondContact O-N 2.84Å; W518-Q521 PolarHBondContact O-N 2.98Å; W518-V522 HydrophobicContact CD2-CG2 4.07Å; W518-V522 HydrophobicContact CE3-CG2 4.13Å; W518-V522 HydrophobicContact CH2-CG2 3.84Å; W518-V522 HydrophobicContact CZ2-CG2 3.79Å; W518-V522 HydrophobicContact CZ3-CG2 4.03Å; W518-V522 WeakPolarHBondContact O-CG2 3.48Å; W518-V522 PolarHBondContact O-N 3.44Å; W518-L532 HydrophobicContact CZ2-CB 4.12Å; W518-L532 HydrophobicContact CZ2-CD2 4.41Å; W518-L532 PolarHBondContact NE1-O 3.09Å; W518-W536 HydrophobicContact CB-CE3 4.37Å; W518-W536 HydrophobicContact CD2-CE3 4.2Å; W518-W536 HydrophobicContact CG-CE3 4.05Å; W518-Y539 HydrophobicContact CB-CD2 3.95Å; W518-Y539 HydrophobicContact CB-CE2 4.21Å; W518-F557 AromaticContact CH2-CE2 3.75Å; W518-F557 HydrophobicContact CH2-CE2 3.75Å; W518-F557 AromaticContact CH2-CZ 3.88Å; W518-F557 HydrophobicContact CH2-CZ 3.88Å; W518-F557 AromaticContact CZ2-CE2 3.94Å; W518-F557 HydrophobicContact CZ2-CE2 3.94Å; W518-P559 HydrophobicContact CH2-CB 4Å; W518-P559 HydrophobicContact CH2-CG 3.7Å; W518-P559 HydrophobicContact CZ2-CB 4.26Å; W518-P559 HydrophobicContact CZ2-CG 3.6Å; W518-P559 HydrophobicContact CZ3-CB 4.14Å; W518-P559 HydrophobicContact CZ3-CG 4.33Å; W518-I565 HydrophobicContact CZ3-CG2 4.5Å
519	R	96.7	Very high	95.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65	-37.7	177.8	-71.8	-170.2	-70	-173.4	-5.5	112.8	Y231 W254 A515 D516 K517 Q521 V522 Y523 A569	Y231-R519 VanDerWaalsContact OH-CD 3.26Å; Y231-R519 WeakPolarHBondContact OH-CD 3.34Å; Y231-R519 WeakPolarHBondContact OH-CG 3.29Å; W254-R519 HydrophobicContact CH2-CB 4.37Å; W254-R519 VanDerWaalsContact CH2-CZ 3.48Å; W254-R519 HydrophobicContact CZ3-CB 4.12Å; A515-R519 WeakPolarHBondContact O-CG 3.28Å; A515-R519 PolarHBondContact O-N 3.2Å; D516-R519 PolarHBondContact O-N 3.36Å; D516-R519 IonicContact OD1-CZ 3.02Å; D516-R519 IonicContact OD1-NE 3.79Å; D516-R519 IonicContact OD1-NH2 3.46Å; D516-R519 PolarHBondContact OD1-NH2 3.14Å; K517-R519 VanDerWaalsContact C-N 3.35Å; K517-R519 PolarHBondContact O-N 3.41Å; R519-Q521 VanDerWaalsContact C-N 3.34Å; R519-Q521 PolarHBondContact O-N 2.94Å; R519-V522 PolarHBondContact O-N 3.16Å; R519-Y523 HydrophobicContact CB-CD2 4.47Å; R519-Y523 HydrophobicContact CB-CE2 4.03Å; R519-Y523 WeakPolarHBondContact O-CD2 3.04Å; R519-Y523 VanDerWaalsContact O-CG 3.3Å; R519-Y523 PolarHBondContact O-N 3.28Å; R519-A569 VanDerWaalsContact CZ-O 3.23Å; R519-A569 PolarHBondContact NH1-O 3.21Å; R519-A569 PolarHBondContact NH2-O 3.28Å
520	W	96.7	Very high	95.3	Very high	42 Å²	42	30.3 Å²	30.3	16%	0.159	18%	0.177	C	C	.	.	H	α-helix	trans	-56.7	-48.7	173.7	-176.2	-81.6	0	0	0	111.1	H249 G251 E252 Q255 M265 D516 K517 W518 V522 Y523 S524	H249-W520 AromaticContact CE1-CD2 3.98Å; H249-W520 AromaticContact CE1-CE2 3.62Å; H249-W520 AromaticContact CE1-CH2 3.87Å; H249-W520 AromaticContact CE1-CZ2 3.57Å; H249-W520 AromaticContact NE2-CE2 3.98Å; H249-W520 AromaticContact NE2-CZ2 3.89Å; G251-W520 VanDerWaalsContact C-CZ3 3.46Å; G251-W520 WeakPolarHBondContact O-CZ3 3.49Å; E252-W520 HydrophobicContact CG-CH2 4.16Å; Q255-W520 HydrophobicContact CB-CH2 4.38Å; Q255-W520 HydrophobicContact CB-CZ3 4.16Å; M265-W520 HydrophobicContact CE-CB 4.47Å; M265-W520 HydrophobicContact CE-CD2 4.26Å; M265-W520 HydrophobicContact CE-CE3 3.75Å; M265-W520 HydrophobicContact CE-CZ3 4.38Å; M265-W520 HydrophobicContact CG-CB 4.26Å; M265-W520 HydrophobicContact CG-CD2 3.56Å; M265-W520 HydrophobicContact CG-CE3 3.9Å; M265-W520 HydrophobicContact CG-CG 3.71Å; M265-W520 HydrophobicContact CG-CZ3 4.49Å; M265-W520 HydrophobicContact SD-CB 3.6Å; M265-W520 HydrophobicContact SD-CD2 3.92Å; M265-W520 HydrophobicContact SD-CE3 4.04Å; M265-W520 HydrophobicContact SD-CG 3.74Å; D516-W520 WeakPolarHBondContact O-CB 3.47Å; D516-W520 PolarHBondContact O-N 2.01Å; K517-W520 WeakPolarHBondContact O-CB 3.49Å; K517-W520 PolarHBondContact O-N 2.87Å; W518-W520 PolarHBondContact O-N 2.84Å; W520-V522 VanDerWaalsContact C-N 3.32Å; W520-V522 PolarHBondContact O-N 3.26Å; W520-Y523 PolarHBondContact O-N 2.87Å; W520-S524 WeakPolarHBondContact O-CB 3.45Å; W520-S524 PolarHBondContact O-N 3.45Å; W520-S524 PolarHBondContact O-OG 3.2Å
521	Q	96.9	Very high	95.3	Very high	25 Å²	25	34.7 Å²	34.7	12%	0.117	20%	0.197	C	C	.	.	H	α-helix	trans	-67.1	-30.9	178.6	-64.7	-161.3	-23.8	0	0	113.3	K517 W518 R519 S524 G525 E526 A527 Y539	K517-Q521 WeakPolarHBondContact O-CG 3.37Å; K517-Q521 PolarHBondContact O-N 3.17Å; K517-Q521 VanDerWaalsContact O-N 3.07Å; W518-Q521 PolarHBondContact O-N 2.98Å; R519-Q521 VanDerWaalsContact C-N 3.34Å; R519-Q521 PolarHBondContact O-N 2.94Å; Q521-S524 WeakPolarHBondContact CA-OG 3.43Å; Q521-S524 PolarHBondContact O-OG 3.39Å; Q521-G525 PolarHBondContact O-N 2.92Å; Q521-E526 HydrophobicContact CB-CB 4.23Å; Q521-E526 HydrophobicContact CG-CB 4.35Å; Q521-E526 WeakPolarHBondContact CG-OE2 3.48Å; Q521-E526 PolarHBondContact NE2-OE1 2.83Å; Q521-E526 PolarHBondContact NE2-OE2 2.79Å; Q521-E526 VanDerWaalsContact NE2-OE2 3.12Å; Q521-E526 PolarHBondContact O-N 2.91Å; Q521-E526 VanDerWaalsContact O-N 3.14Å; Q521-A527 HydrophobicContact CB-CB 3.82Å; Q521-A527 PolarHBondContact O-N 3.22Å; Q521-Y539 PolarHBondContact NE2-OH 3.37Å; Q521-Y539 PolarHBondContact OE1-OH 3.28Å
522	V	96.5	Very high	95.4	Very high	17 Å²	17	34.8 Å²	34.8	10%	0.103	20%	0.197	C	C	.	.	H	α-helix	trans	-65.3	-45.2	170.7	172.9	0	0	0	0	110.8	Y231 A235 W518 R519 W520 A527 L532	Y231-V522 HydrophobicContact CE1-CG1 4.37Å; A235-V522 HydrophobicContact CB-CG1 4.24Å; W518-V522 HydrophobicContact CD2-CG2 4.07Å; W518-V522 HydrophobicContact CE3-CG2 4.13Å; W518-V522 HydrophobicContact CH2-CG2 3.84Å; W518-V522 HydrophobicContact CZ2-CG2 3.79Å; W518-V522 HydrophobicContact CZ3-CG2 4.03Å; W518-V522 WeakPolarHBondContact O-CG2 3.48Å; W518-V522 PolarHBondContact O-N 3.44Å; R519-V522 PolarHBondContact O-N 3.16Å; W520-V522 VanDerWaalsContact C-N 3.32Å; W520-V522 PolarHBondContact O-N 3.26Å; V522-A527 HydrophobicContact CG2-CB 4.38Å; V522-L532 HydrophobicContact CG2-CD2 3.77Å
523	Y	95.7	Very high	95.5	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-70.2	-40.4	-179.5	-64	-39.4	0	0	0	112.8	A235 L238 N239 H249 W254 R519 W520 G525 N568	A235-Y523 HydrophobicContact CB-CD1 4.01Å; A235-Y523 HydrophobicContact CB-CE1 3.79Å; L238-Y523 HydrophobicContact CD1-CE1 4.18Å; N239-Y523 PolarHBondContact ND2-O 3.49Å; N239-Y523 PolarHBondContact OD1-O 2.98Å; H249-Y523 VanDerWaalsContact CB-O 3.31Å; H249-Y523 WeakPolarHBondContact CB-O 3.19Å; W254-Y523 AromaticContact CH2-CE2 3.73Å; W254-Y523 HydrophobicContact CH2-CE2 3.73Å; W254-Y523 HydrophobicContact CZ2-CE2 4.25Å; W254-Y523 AromaticContact CZ3-CE2 3.92Å; W254-Y523 HydrophobicContact CZ3-CE2 3.92Å; R519-Y523 HydrophobicContact CB-CD2 4.47Å; R519-Y523 HydrophobicContact CB-CE2 4.03Å; R519-Y523 WeakPolarHBondContact O-CD2 3.04Å; R519-Y523 VanDerWaalsContact O-CG 3.3Å; R519-Y523 PolarHBondContact O-N 3.28Å; W520-Y523 PolarHBondContact O-N 2.87Å; Y523-G525 PolarHBondContact O-N 3Å; Y523-N568 PolarHBondContact OH-OD1 3.41Å
524	S	95.7	Very high	95.5	Very high	46 Å²	46	40.6 Å²	40.6	32%	0.322	22%	0.224	S	C	.	.	H	α-helix	trans	-72.9	-17.4	179.3	69.6	0	0	0	0	113.5	W520 Q521 E526	W520-S524 WeakPolarHBondContact O-CB 3.45Å; W520-S524 PolarHBondContact O-N 3.45Å; W520-S524 PolarHBondContact O-OG 3.2Å; Q521-S524 WeakPolarHBondContact CA-OG 3.43Å; Q521-S524 PolarHBondContact O-OG 3.39Å; S524-E526 VanDerWaalsContact C-N 3.28Å; S524-E526 WeakPolarHBondContact OG-CB 3.31Å; S524-E526 PolarHBondContact OG-N 3.23Å
525	G	94.4	Very high	95.5	Very high	58 Å²	58	42.1 Å²	42.1	60%	0.598	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.7	7.1	-173.8	0	0	0	0	0	114	Q521 Y523 A527	Q521-G525 PolarHBondContact O-N 2.92Å; Y523-G525 PolarHBondContact O-N 3Å; G525-A527 VanDerWaalsContact C-N 3.32Å
526	E	95.5	Very high	95.5	Very high	126 Å²	126	42.6 Å²	42.6	59%	0.589	23%	0.234	S	C	*	.			trans	-65.7	-37.2	172.8	-171.8	-172.3	166.2	0	0	111.2	Q521 S524 Q528	Q521-E526 HydrophobicContact CB-CB 4.23Å; Q521-E526 HydrophobicContact CG-CB 4.35Å; Q521-E526 WeakPolarHBondContact CG-OE2 3.48Å; Q521-E526 PolarHBondContact NE2-OE1 2.83Å; Q521-E526 PolarHBondContact NE2-OE2 2.79Å; Q521-E526 VanDerWaalsContact NE2-OE2 3.12Å; Q521-E526 PolarHBondContact O-N 2.91Å; Q521-E526 VanDerWaalsContact O-N 3.14Å; S524-E526 VanDerWaalsContact C-N 3.28Å; S524-E526 WeakPolarHBondContact OG-CB 3.31Å; S524-E526 PolarHBondContact OG-N 3.23Å; E526-Q528 PolarHBondContact O-N 3.28Å
527	A	93.7	Very high	95.5	Very high	13 Å²	13	43.9 Å²	43.9	11%	0.107	24%	0.239	C	C	.	.	S	Bend	trans	-75.1	125.6	175.5	0	0	0	0	0	110.9	Q521 V522 G525 A529 L532 L535	Q521-A527 HydrophobicContact CB-CB 3.82Å; Q521-A527 PolarHBondContact O-N 3.22Å; V522-A527 HydrophobicContact CG2-CB 4.38Å; G525-A527 VanDerWaalsContact C-N 3.32Å; A527-A529 PolarHBondContact O-N 2.99Å; A527-L532 HydrophobicContact CB-CD2 3.82Å; A527-L535 HydrophobicContact CB-CD2 3.67Å
528	Q	90.8	Very high	95.4	Very high	110 Å²	110	45.2 Å²	45.2	51%	0.514	25%	0.252	S	S	.	.			trans	-67.6	125.4	174.7	-61.2	177.4	12.7	0	0	109.8	E526 N530 K531	E526-Q528 PolarHBondContact O-N 3.28Å; Q528-N530 WeakPolarHBondContact CB-OD1 3.46Å; Q528-N530 PolarHBondContact O-N 3.44Å; Q528-K531 HydrophobicContact CB-CB 4.3Å; Q528-K531 HydrophobicContact CB-CG 4.42Å; Q528-K531 PolarHBondContact O-N 3.18Å
529	A	90.7	Very high	95.3	Very high	64 Å²	64	46.2 Å²	46.2	53%	0.529	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-17.9	-176.5	0	0	0	0	0	114.2	R228 A527	R228-A529 PolarHBondContact NH2-O 3.07Å; A527-A529 PolarHBondContact O-N 2.99Å
530	N	93.3	Very high	95.3	Very high	103 Å²	103	46.3 Å²	46.3	55%	0.551	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	12.4	175.4	69.5	-22.8	0	0	0	113.7	Q528 E554	Q528-N530 WeakPolarHBondContact CB-OD1 3.46Å; Q528-N530 PolarHBondContact O-N 3.44Å; N530-E554 WeakPolarHBondContact O-CG 3.32Å
531	K	95.7	Very high	95.2	Very high	92 Å²	92	46.6 Å²	46.6	40%	0.4	26%	0.259	S	S	.	.	S	Bend	trans	-137.7	24.2	178.3	-64.1	-172.9	-179.5	175.4	0	112.8	Q528 L535 E554	Q528-K531 HydrophobicContact CB-CB 4.3Å; Q528-K531 HydrophobicContact CB-CG 4.42Å; Q528-K531 PolarHBondContact O-N 3.18Å; K531-L535 VanDerWaalsContact O-CB 3.3Å; K531-L535 WeakPolarHBondContact O-CB 3.3Å; K531-L535 PolarHBondContact O-N 3.28Å; K531-E554 VanDerWaalsContact CA-CD 3.41Å; K531-E554 WeakPolarHBondContact CA-OE1 3.41Å
532	L	96.7	Very high	95	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-68.7	-40.1	-173	-70.4	-174.4	0	0	0	112.5	L232 W518 V522 A527 W536 E554	L232-L532 HydrophobicContact CD2-CD1 3.75Å; W518-L532 HydrophobicContact CZ2-CB 4.12Å; W518-L532 HydrophobicContact CZ2-CD2 4.41Å; W518-L532 PolarHBondContact NE1-O 3.09Å; V522-L532 HydrophobicContact CG2-CD2 3.77Å; A527-L532 HydrophobicContact CB-CD2 3.82Å; L532-W536 WeakPolarHBondContact O-CB 2.74Å; L532-W536 PolarHBondContact O-N 2.73Å; L532-E554 PolarHBondContact N-OE1 3.47Å; L532-E554 PolarHBondContact N-OE2 3.13Å
533	N	96.7	Very high	95	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.011	27%	0.269	C	S	.	.	H	α-helix	trans	-76.4	-37.1	-179.5	-154.7	53.5	0	0	0	111	W536 W537 R552 S553 E554 D558	N533-W536 WeakPolarHBondContact O-CB 3.16Å; N533-W536 PolarHBondContact O-N 2.99Å; N533-W537 VanDerWaalsContact O-CD1 3.24Å; N533-W537 PolarHBondContact O-N 3.38Å; N533-W537 VanDerWaalsContact O-N 3.07Å; N533-R552 WeakPolarHBondContact ND2-CB 3.43Å; N533-S553 PolarHBondContact ND2-O 3.48Å; N533-S553 VanDerWaalsContact ND2-O 3.12Å; N533-E554 WeakPolarHBondContact CA-OE1 3.36Å; N533-E554 WeakPolarHBondContact CB-OE1 3.45Å; N533-E554 PolarHBondContact N-OE1 2.81Å; N533-E554 PolarHBondContact N-OE2 3.48Å; N533-D558 PolarHBondContact ND2-OD2 2.98Å; N533-D558 WeakPolarHBondContact OD1-CB 3.49Å; N533-D558 PolarHBondContact OD1-N 2.98Å; N533-D558 PolarHBondContact OD1-OD2 3.11Å
534	Q	96.3	Very high	95	Very high	121 Å²	121	49 Å²	49	57%	0.565	27%	0.268	S	S	*	.	H	α-helix	trans	-58.5	-48.3	171.2	-175.8	-178	19.2	0	0	111.3	W536 W537 S538 E554	Q534-W536 VanDerWaalsContact C-N 3.32Å; Q534-W536 PolarHBondContact O-N 2.94Å; Q534-W537 PolarHBondContact O-N 2.94Å; Q534-S538 PolarHBondContact O-N 2.58Å; Q534-E554 PolarHBondContact N-OE1 3.46Å
535	L	96.5	Very high	95	Very high	32 Å²	32	46.9 Å²	46.9	17%	0.168	25%	0.253	C	S	.	.	H	α-helix	trans	-63.4	-38.9	177.8	-179.1	65.8	0	0	0	111.9	A527 K531 W537 S538 Y539	A527-L535 HydrophobicContact CB-CD2 3.67Å; K531-L535 VanDerWaalsContact O-CB 3.3Å; K531-L535 WeakPolarHBondContact O-CB 3.3Å; K531-L535 PolarHBondContact O-N 3.28Å; L535-W537 VanDerWaalsContact C-N 3.33Å; L535-W537 PolarHBondContact O-N 3.35Å; L535-S538 PolarHBondContact O-N 2.79Å; L535-S538 PolarHBondContact O-OG 3.49Å; L535-Y539 HydrophobicContact CD1-CD1 3.95Å; L535-Y539 HydrophobicContact CD1-CE1 3.52Å; L535-Y539 HydrophobicContact CG-CE1 4.36Å; L535-Y539 WeakPolarHBondContact O-CB 3.32Å; L535-Y539 PolarHBondContact O-N 3.16Å
536	W	96.6	Very high	95	Very high	9 Å²	9	44.1 Å²	44.1	3%	0.034	22%	0.224	C	C	.	.	H	α-helix	trans	-57.9	-46.5	174.7	172.6	-100.7	0	0	0	111.6	F511 L514 A515 W518 L532 N533 Q534 Y539 R540 P559 I565	F511-W536 AromaticContact CE2-CH2 3.84Å; F511-W536 HydrophobicContact CE2-CH2 3.84Å; F511-W536 AromaticContact CE2-CZ2 3.88Å; F511-W536 HydrophobicContact CE2-CZ2 3.88Å; F511-W536 AromaticContact CZ-CH2 3.74Å; F511-W536 HydrophobicContact CZ-CH2 3.74Å; F511-W536 HydrophobicContact CZ-CZ2 4.08Å; L514-W536 HydrophobicContact CD1-CE3 4.19Å; L514-W536 HydrophobicContact CD1-CH2 3.94Å; L514-W536 HydrophobicContact CD1-CZ2 4.49Å; L514-W536 HydrophobicContact CD1-CZ3 3.78Å; A515-W536 HydrophobicContact CB-CH2 4.34Å; A515-W536 HydrophobicContact CB-CZ3 4.15Å; W518-W536 HydrophobicContact CB-CE3 4.37Å; W518-W536 HydrophobicContact CD2-CE3 4.2Å; W518-W536 HydrophobicContact CG-CE3 4.05Å; L532-W536 WeakPolarHBondContact O-CB 2.74Å; L532-W536 PolarHBondContact O-N 2.73Å; N533-W536 WeakPolarHBondContact O-CB 3.16Å; N533-W536 PolarHBondContact O-N 2.99Å; Q534-W536 VanDerWaalsContact C-N 3.32Å; Q534-W536 PolarHBondContact O-N 2.94Å; W536-Y539 PolarHBondContact O-N 3.2Å; W536-R540 HydrophobicContact CD2-CG 4.41Å; W536-R540 HydrophobicContact CZ2-CG 4.26Å; W536-R540 VanDerWaalsContact O-CG 3.26Å; W536-R540 WeakPolarHBondContact O-CG 3.42Å; W536-R540 PolarHBondContact O-N 3.48Å; W536-P559 HydrophobicContact CB-CG 4.42Å; W536-P559 HydrophobicContact CD2-CB 3.97Å; W536-P559 HydrophobicContact CD2-CG 4.28Å; W536-P559 HydrophobicContact CE3-CB 3.88Å; W536-P559 HydrophobicContact CE3-CG 4.43Å; W536-P559 HydrophobicContact CG-CB 4.46Å; W536-P559 HydrophobicContact CG-CG 4.27Å; W536-P559 HydrophobicContact CZ3-CB 4.2Å; W536-I565 HydrophobicContact CH2-CD1 3.59Å; W536-I565 HydrophobicContact CZ3-CD1 3.64Å
537	W	95.5	Very high	94.8	Very high	28 Å²	28	40.5 Å²	40.5	11%	0.106	21%	0.207	C	C	.	.	H	α-helix	trans	-72.5	-36.7	-179.3	-77.9	110.8	0	0	0	113.9	W216 A306 N533 Q534 L535 Y539 R540 E541 D558	W216-W537 AromaticContact CH2-CH2 3.76Å; W216-W537 HydrophobicContact CH2-CH2 3.76Å; W216-W537 AromaticContact CH2-CZ2 3.54Å; W216-W537 HydrophobicContact CH2-CZ2 3.54Å; W216-W537 AromaticContact CZ2-CH2 3.52Å; W216-W537 HydrophobicContact CZ2-CH2 3.52Å; W216-W537 AromaticContact CZ2-CZ2 3.68Å; W216-W537 HydrophobicContact CZ2-CZ2 3.68Å; A306-W537 HydrophobicContact CB-CH2 4.01Å; A306-W537 HydrophobicContact CB-CZ3 4.3Å; N533-W537 VanDerWaalsContact O-CD1 3.24Å; N533-W537 PolarHBondContact O-N 3.38Å; N533-W537 VanDerWaalsContact O-N 3.07Å; Q534-W537 PolarHBondContact O-N 2.94Å; L535-W537 VanDerWaalsContact C-N 3.33Å; L535-W537 PolarHBondContact O-N 3.35Å; W537-Y539 PolarHBondContact O-N 2.64Å; W537-R540 HydrophobicContact CE3-CB 3.85Å; W537-R540 HydrophobicContact CE3-CG 4.18Å; W537-R540 HydrophobicContact CZ3-CB 4.18Å; W537-R540 HydrophobicContact CZ3-CG 4.34Å; W537-R540 PolarHBondContact O-N 3.35Å; W537-E541 PolarHBondContact O-N 2.92Å; W537-D558 HydrophobicContact CZ2-CB 4.34Å; W537-D558 PolarHBondContact NE1-OD2 3.44Å
538	S	95.3	Very high	94.7	Very high	56 Å²	56	41 Å²	41	39%	0.392	21%	0.21	S	C	.	.	H	α-helix	trans	-62.8	-35.7	173.1	70.5	0	0	0	0	111.5	Q534 L535 K542	Q534-S538 PolarHBondContact O-N 2.58Å; L535-S538 PolarHBondContact O-N 2.79Å; L535-S538 PolarHBondContact O-OG 3.49Å; S538-K542 VanDerWaalsContact O-CB 3.24Å; S538-K542 WeakPolarHBondContact O-CB 3.1Å; S538-K542 PolarHBondContact O-N 3.13Å
539	Y	96.1	Very high	94.7	Very high	21 Å²	21	37 Å²	37	8%	0.082	19%	0.194	C	C	.	.	H	α-helix	trans	-70.7	-40.9	174.6	-84.5	20.9	0	0	0	112.7	K517 W518 Q521 L535 W536 W537 E541 K542 Y543	K517-Y539 HydrophobicContact CB-CD2 4.41Å; K517-Y539 HydrophobicContact CB-CE2 3.81Å; W518-Y539 HydrophobicContact CB-CD2 3.95Å; W518-Y539 HydrophobicContact CB-CE2 4.21Å; Q521-Y539 PolarHBondContact NE2-OH 3.37Å; Q521-Y539 PolarHBondContact OE1-OH 3.28Å; L535-Y539 HydrophobicContact CD1-CD1 3.95Å; L535-Y539 HydrophobicContact CD1-CE1 3.52Å; L535-Y539 HydrophobicContact CG-CE1 4.36Å; L535-Y539 WeakPolarHBondContact O-CB 3.32Å; L535-Y539 PolarHBondContact O-N 3.16Å; W536-Y539 PolarHBondContact O-N 3.2Å; W537-Y539 PolarHBondContact O-N 2.64Å; Y539-E541 VanDerWaalsContact C-N 3.29Å; Y539-E541 PolarHBondContact O-N 3.3Å; Y539-K542 PolarHBondContact O-N 2.91Å; Y539-Y543 HydrophobicContact CD1-CE2 4.35Å; Y539-Y543 HydrophobicContact CD2-CE2 4.47Å; Y539-Y543 HydrophobicContact CG-CD2 4.37Å; Y539-Y543 HydrophobicContact CG-CE2 4.25Å; Y539-Y543 WeakPolarHBondContact O-CB 3.31Å; Y539-Y543 WeakPolarHBondContact O-CD2 3.16Å; Y539-Y543 PolarHBondContact O-N 3.36Å
540	R	95.2	Very high	94.6	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.008	17%	0.173	C	C	.	.	I	π-helix	trans	-58.1	-41.7	173	-74.4	-81.7	-70.3	-163.6	-12.2	111.9	S331 L514 W536 W537 Q544 G545 V546	S331-R540 VanDerWaalsContact O-CZ 3.28Å; S331-R540 PolarHBondContact O-NH1 3.2Å; S331-R540 PolarHBondContact O-NH2 2.96Å; L514-R540 HydrophobicContact CD1-CG 4.16Å; L514-R540 HydrophobicContact CD2-CG 4.47Å; W536-R540 HydrophobicContact CD2-CG 4.41Å; W536-R540 HydrophobicContact CZ2-CG 4.26Å; W536-R540 VanDerWaalsContact O-CG 3.26Å; W536-R540 WeakPolarHBondContact O-CG 3.42Å; W536-R540 PolarHBondContact O-N 3.48Å; W537-R540 HydrophobicContact CE3-CB 3.85Å; W537-R540 HydrophobicContact CE3-CG 4.18Å; W537-R540 HydrophobicContact CZ3-CB 4.18Å; W537-R540 HydrophobicContact CZ3-CG 4.34Å; W537-R540 PolarHBondContact O-N 3.35Å; R540-Q544 CarbonylContact O-C 3.56Å; R540-Q544 WeakPolarHBondContact O-CA 3.46Å; R540-Q544 WeakPolarHBondContact O-CB 3.38Å; R540-Q544 PolarHBondContact O-N 2.94Å; R540-G545 PolarHBondContact O-N 3.44Å; R540-V546 CarbonylContact C-O 3.6Å; R540-V546 PolarHBondContact O-N 2.81Å
541	E	94.5	Very high	94.3	Very high	47 Å²	47	37.3 Å²	37.3	22%	0.22	18%	0.176	C	C	.	.	I	π-helix	trans	-70.7	-51	176.9	-168.9	171.4	-178	0	0	111.4	P303 W537 Y539 Y543 G545 V546 W667 E669	P303-E541 HydrophobicContact CG-CG 4.48Å; W537-E541 PolarHBondContact O-N 2.92Å; Y539-E541 VanDerWaalsContact C-N 3.29Å; Y539-E541 PolarHBondContact O-N 3.3Å; E541-Y543 PolarHBondContact O-N 3.36Å; E541-G545 VanDerWaalsContact O-CA 3.28Å; E541-G545 WeakPolarHBondContact O-CA 3.34Å; E541-G545 PolarHBondContact O-N 3.01Å; E541-V546 WeakPolarHBondContact CA-O 3.42Å; E541-V546 PolarHBondContact N-O 3.22Å; E541-W667 PolarHBondContact O-NE1 2.82Å; E541-E669 HydrophobicContact CG-CG 4.34Å
542	K	94.6	Very high	94.1	Very high	95 Å²	95	35.3 Å²	35.3	41%	0.413	17%	0.166	S	C	.	.	I	π-helix	trans	-60.1	-49.3	-177.6	177.4	-177.1	174.8	-170.4	0	113.7	Y272 S538 Y539	Y272-K542 PolarHBondContact OH-O 3.2Å; S538-K542 VanDerWaalsContact O-CB 3.24Å; S538-K542 WeakPolarHBondContact O-CB 3.1Å; S538-K542 PolarHBondContact O-N 3.13Å; Y539-K542 PolarHBondContact O-N 2.91Å
543	Y	95.8	Very high	93.9	Very high	3 Å²	3	38 Å²	38	1%	0.012	19%	0.185	C	C	.	.	I	π-helix	trans	-91	-40.4	-172.5	-70.2	-79.4	0	0	0	111.6	E269 Y272 P510 V513 L514 K517 Y539 E541	E269-Y543 PolarHBondContact OE1-OH 3.34Å; Y272-Y543 AromaticContact CD1-CD1 3.74Å; Y272-Y543 HydrophobicContact CD1-CD1 3.74Å; Y272-Y543 AromaticContact CD1-CE1 3.92Å; Y272-Y543 HydrophobicContact CD1-CE1 3.92Å; Y272-Y543 HydrophobicContact CD2-CD1 4Å; Y272-Y543 AromaticContact CE1-CD1 3.66Å; Y272-Y543 HydrophobicContact CE1-CD1 3.66Å; Y272-Y543 HydrophobicContact CE1-CE1 4.08Å; Y272-Y543 AromaticContact CE2-CD1 3.95Å; Y272-Y543 HydrophobicContact CE2-CD1 3.95Å; Y272-Y543 VanDerWaalsContact CE2-O 3.28Å; Y272-Y543 WeakPolarHBondContact CE2-O 3.29Å; Y272-Y543 AromaticContact CG-CD1 3.9Å; Y272-Y543 HydrophobicContact CG-CD1 3.9Å; Y272-Y543 HydrophobicContact CG-CE1 4.3Å; Y272-Y543 AromaticContact CZ-CD1 3.77Å; Y272-Y543 WeakPolarHBondContact OH-CA 3.49Å; Y272-Y543 PolarHBondContact OH-O 3.39Å; Y272-Y543 VanDerWaalsContact OH-O 3.11Å; P510-Y543 VanDerWaalsContact CB-O 3.31Å; P510-Y543 WeakPolarHBondContact CB-O 2.98Å; V513-Y543 HydrophobicContact CG1-CD1 4.32Å; V513-Y543 HydrophobicContact CG1-CE1 4.21Å; L514-Y543 HydrophobicContact CB-CD2 3.68Å; L514-Y543 HydrophobicContact CB-CG 3.95Å; K517-Y543 HydrophobicContact CD-CE2 4.5Å; K517-Y543 WeakPolarHBondContact CD-OH 3.47Å; K517-Y543 PolarHBondContact NZ-OH 2.89Å; K517-Y543 VanDerWaalsContact NZ-OH 3.16Å; Y539-Y543 HydrophobicContact CD1-CE2 4.35Å; Y539-Y543 HydrophobicContact CD2-CE2 4.47Å; Y539-Y543 HydrophobicContact CG-CD2 4.37Å; Y539-Y543 HydrophobicContact CG-CE2 4.25Å; Y539-Y543 WeakPolarHBondContact O-CB 3.31Å; Y539-Y543 WeakPolarHBondContact O-CD2 3.16Å; Y539-Y543 PolarHBondContact O-N 3.36Å; E541-Y543 PolarHBondContact O-N 3.36Å
544	Q	95	Very high	93.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-100.5	-18.4	-172.5	-150.8	177.9	19.9	0	0	113.3	Y279 H283 G332 W335 P510 L514 R540 V546	Y279-Q544 WeakPolarHBondContact OH-CA 2.98Å; Y279-Q544 WeakPolarHBondContact OH-CG 3.49Å; Y279-Q544 PolarHBondContact OH-O 2.79Å; H283-Q544 PolarHBondContact CD2-O 3.27Å; G332-Q544 PolarHBondContact O-NE2 3.41Å; W335-Q544 HydrophobicContact CZ2-CG 4.48Å; P510-Q544 HydrophobicContact CB-CG 4.41Å; L514-Q544 HydrophobicContact CD2-CB 4.04Å; R540-Q544 CarbonylContact O-C 3.56Å; R540-Q544 WeakPolarHBondContact O-CA 3.46Å; R540-Q544 WeakPolarHBondContact O-CB 3.38Å; R540-Q544 PolarHBondContact O-N 2.94Å; Q544-V546 VanDerWaalsContact C-N 3.3Å; Q544-V546 HydrophobicContact CB-CB 4.19Å; Q544-V546 HydrophobicContact CB-CG2 3.85Å; Q544-V546 HydrophobicContact CG-CB 4.43Å; Q544-V546 HydrophobicContact CG-CG2 3.64Å
545	G	95.4	Very high	93.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.			trans	64.6	41.4	-171.1	0	0	0	0	0	111.7	H283 P303 I304 R540 E541	H283-G545 PolarHBondContact NE2-O 3.07Å; P303-G545 CarbonylContact C-O 3.52Å; P303-G545 WeakPolarHBondContact CA-O 3.19Å; P303-G545 VanDerWaalsContact CB-C 3.46Å; P303-G545 VanDerWaalsContact CB-O 3.32Å; P303-G545 WeakPolarHBondContact CB-O 3.37Å; I304-G545 PolarHBondContact N-O 3.44Å; R540-G545 PolarHBondContact O-N 3.44Å; E541-G545 VanDerWaalsContact O-CA 3.28Å; E541-G545 WeakPolarHBondContact O-CA 3.34Å; E541-G545 PolarHBondContact O-N 3.01Å
546	V	94.1	Very high	93.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132.7	-176.1	176.3	0	0	0	0	110	I304 A306 L309 R540 E541 Q544	I304-V546 VanDerWaalsContact O-CA 3.29Å; I304-V546 WeakPolarHBondContact O-CA 3.34Å; I304-V546 WeakPolarHBondContact O-CG1 3.29Å; A306-V546 HydrophobicContact CB-CG1 3.62Å; L309-V546 HydrophobicContact CD1-CB 4.33Å; L309-V546 HydrophobicContact CD1-CG1 4.03Å; L309-V546 HydrophobicContact CD1-CG2 3.3Å; R540-V546 CarbonylContact C-O 3.6Å; R540-V546 PolarHBondContact O-N 2.81Å; E541-V546 WeakPolarHBondContact CA-O 3.42Å; E541-V546 PolarHBondContact N-O 3.22Å; Q544-V546 VanDerWaalsContact C-N 3.3Å; Q544-V546 HydrophobicContact CB-CB 4.19Å; Q544-V546 HydrophobicContact CB-CG2 3.85Å; Q544-V546 HydrophobicContact CG-CB 4.43Å; Q544-V546 HydrophobicContact CG-CG2 3.64Å
547	Q	92.5	Very high	93.6	Very high	50 Å²	50	40.3 Å²	40.3	23%	0.234	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	154.3	178.2	62.4	176.9	-11.2	0	0	111.9	P303 I304 A306	P303-Q547 HydrophobicContact CB-CB 4.06Å; P303-Q547 HydrophobicContact CB-CG 4.14Å; P303-Q547 HydrophobicContact CG-CB 3.81Å; P303-Q547 HydrophobicContact CG-CG 3.88Å; P303-Q547 PolarHBondContact O-NE2 2.79Å; I304-Q547 PolarHBondContact O-N 2.87Å; A306-Q547 WeakPolarHBondContact CB-O 3.01Å; A306-Q547 PolarHBondContact N-O 3.5Å
548	S	91.8	Very high	93.6	Very high	24 Å²	24	39.1 Å²	39.1	17%	0.168	20%	0.195	C	C	.	.			trans	-68	133.7	168.3	-177.9	0	0	0	0	108.9	A550 R552	S548-A550 WeakPolarHBondContact CB-O 3.42Å; S548-A550 PolarHBondContact O-N 2.84Å; S548-A550 PolarHBondContact OG-N 3.46Å; S548-A550 PolarHBondContact OG-O 2.87Å; S548-R552 WeakPolarHBondContact OG-CG 3.41Å
549	P	89.5	Confident	93.6	Very high	25 Å²	25	36.4 Å²	36.4	16%	0.162	18%	0.177	C	C	.	.	S	Bend	trans	-75.1	-12	174.2	34.6	-38	0	0	0	113.2	Y213 W216 P305 H307	Y213-P549 HydrophobicContact CD2-CB 3.83Å; Y213-P549 HydrophobicContact CD2-CG 4.11Å; Y213-P549 HydrophobicContact CE2-CB 4.02Å; Y213-P549 HydrophobicContact CE2-CG 4.31Å; Y213-P549 WeakPolarHBondContact CE2-O 3.02Å; W216-P549 HydrophobicContact CD2-CG 4.14Å; W216-P549 HydrophobicContact CE3-CG 3.71Å; W216-P549 HydrophobicContact CH2-CG 4.38Å; W216-P549 HydrophobicContact CZ3-CG 3.86Å; P305-P549 HydrophobicContact CB-CB 4.4Å; H307-P549 HydrophobicContact CB-CG 4.18Å; H307-P549 VanDerWaalsContact CE1-CB 3.46Å; H307-P549 WeakPolarHBondContact CE1-CB 3.5Å; H307-P549 WeakPolarHBondContact ND1-CB 3.46Å; H307-P549 WeakPolarHBondContact ND1-CG 3.44Å
550	A	90	Very high	93.5	Very high	13 Å²	13	35.4 Å²	35.4	11%	0.107	17%	0.173	C	C	.	.	S	Bend	trans	-126.2	151.8	179.9	0	0	0	0	0	110.4	Y213 L217 S548 R552	Y213-A550 HydrophobicContact CE2-CB 3.98Å; Y213-A550 WeakPolarHBondContact OH-CB 3.39Å; L217-A550 HydrophobicContact CD1-CB 3.97Å; L217-A550 HydrophobicContact CD2-CB 4.13Å; S548-A550 WeakPolarHBondContact CB-O 3.42Å; S548-A550 PolarHBondContact O-N 2.84Å; S548-A550 PolarHBondContact OG-N 3.46Å; S548-A550 PolarHBondContact OG-O 2.87Å; A550-R552 WeakPolarHBondContact O-CG 3.49Å; A550-R552 PolarHBondContact O-N 3.31Å
551	R	86.5	Confident	93.3	Very high	162 Å²	162	35.6 Å²	35.6	61%	0.611	17%	0.174	S	C	*	.			trans	-59.5	132.7	169.1	-66.4	-173.5	-174.6	-158.5	-2.4	109.5	D675 D678	R551-D675 IonicContact CZ-OD1 3.75Å; R551-D675 IonicContact NH1-OD1 2.83Å; R551-D675 PolarHBondContact NH1-OD1 2.88Å; R551-D675 IonicContact NH2-OD1 2.86Å; R551-D675 PolarHBondContact NH2-OD1 3.42Å; R551-D678 IonicContact CZ-OD2 3.27Å; R551-D678 IonicContact NE-OD2 4Å; R551-D678 PolarHBondContact NE-OD2 3.16Å; R551-D678 IonicContact NH2-OD2 2.73Å; R551-D678 PolarHBondContact NH2-OD2 3.5Å
552	R	90.8	Very high	93	Very high	50 Å²	50	33.8 Å²	33.8	19%	0.189	17%	0.166	C	C	.	.			trans	-121.2	148	177.9	-47.8	-59.8	-71.1	147.1	-6.9	109.2	L217 N221 N533 S548 A550 D556 D558	L217-R552 VanDerWaalsContact CD1-NH1 3.27Å; N221-R552 PolarHBondContact OD1-NH1 3.28Å; N221-R552 VanDerWaalsContact OD1-NH1 3.08Å; N221-R552 PolarHBondContact OD1-NH2 3.2Å; N533-R552 WeakPolarHBondContact ND2-CB 3.43Å; S548-R552 WeakPolarHBondContact OG-CG 3.41Å; A550-R552 WeakPolarHBondContact O-CG 3.49Å; A550-R552 PolarHBondContact O-N 3.31Å; R552-D556 IonicContact CZ-OD1 3.93Å; R552-D556 VanDerWaalsContact CZ-OD1 3.23Å; R552-D556 IonicContact CZ-OD2 2.75Å; R552-D556 IonicContact NH1-OD1 3.84Å; R552-D556 PolarHBondContact NH1-OD1 3.12Å; R552-D556 IonicContact NH1-OD2 3.94Å; R552-D556 IonicContact NH2-OD1 2.56Å; R552-D556 PolarHBondContact NH2-OD1 3.47Å; R552-D558 WeakPolarHBondContact CG-OD2 3.3Å; R552-D558 IonicContact CZ-OD1 2.59Å; R552-D558 VanDerWaalsContact CZ-OD1 3.31Å; R552-D558 IonicContact CZ-OD2 3.77Å; R552-D558 IonicContact NE-OD1 3.28Å; R552-D558 PolarHBondContact NE-OD1 3.49Å; R552-D558 VanDerWaalsContact NE-OD1 3.12Å; R552-D558 IonicContact NE-OD2 2.83Å; R552-D558 PolarHBondContact NE-OD2 2.95Å; R552-D558 IonicContact NH2-OD1 3.02Å; R552-D558 PolarHBondContact NH2-OD1 3.32Å; R552-D558 IonicContact NH2-OD2 2.82Å
553	S	93	Very high	92.3	Very high	57 Å²	57	31.8 Å²	31.8	40%	0.399	16%	0.158	S	C	.	.			trans	-121.5	-174.4	178.3	72.6	0	0	0	0	110	N533 L555 D556	N533-S553 PolarHBondContact ND2-O 3.48Å; N533-S553 VanDerWaalsContact ND2-O 3.12Å; S553-L555 VanDerWaalsContact C-N 3.33Å; S553-L555 PolarHBondContact OG-N 3.24Å; S553-D556 PolarHBondContact N-OD2 2.96Å; S553-D556 WeakPolarHBondContact O-CB 3.37Å; S553-D556 PolarHBondContact O-N 3.08Å; S553-D556 PolarHBondContact OG-OD2 3.41Å; S553-D556 VanDerWaalsContact OG-OD2 3.13Å
554	E	94.1	Very high	91.6	Very high	47 Å²	47	33 Å²	33	22%	0.22	16%	0.164	C	C	.	.	S	Bend	trans	-87.6	-3.9	173.6	-69.8	-69.8	150.1	0	0	113.4	R228 N530 K531 L532 N533 Q534	R228-E554 IonicContact CZ-OE2 2.94Å; R228-E554 PolarHBondContact NH1-O 3.31Å; R228-E554 IonicContact NH1-OE2 3.21Å; R228-E554 PolarHBondContact NH1-OE2 3.23Å; R228-E554 IonicContact NH2-OE2 2.81Å; R228-E554 PolarHBondContact NH2-OE2 2.58Å; N530-E554 WeakPolarHBondContact O-CG 3.32Å; K531-E554 VanDerWaalsContact CA-CD 3.41Å; K531-E554 WeakPolarHBondContact CA-OE1 3.41Å; L532-E554 PolarHBondContact N-OE1 3.47Å; L532-E554 PolarHBondContact N-OE2 3.13Å; N533-E554 WeakPolarHBondContact CA-OE1 3.36Å; N533-E554 WeakPolarHBondContact CB-OE1 3.45Å; N533-E554 PolarHBondContact N-OE1 2.81Å; N533-E554 PolarHBondContact N-OE2 3.48Å; Q534-E554 PolarHBondContact N-OE1 3.46Å
555	L	92.4	Very high	91.3	Very high	147 Å²	147	33 Å²	33	77%	0.77	16%	0.164	S	C	*	.	S	Bend	trans	-71.7	-22.7	163.1	-60	176.9	0	0	0	110.9	S553	S553-L555 VanDerWaalsContact C-N 3.33Å; S553-L555 PolarHBondContact OG-N 3.24Å
556	D	96.2	Very high	90.8	Very high	20 Å²	20	33.4 Å²	33.4	11%	0.107	17%	0.166	C	C	.	.			trans	-81.7	162.8	171.1	-53.6	-69.3	0	0	0	111.3	R228 R552 S553	R228-D556 PolarHBondContact NH1-O 2.69Å; R228-D556 VanDerWaalsContact NH1-O 3.14Å; R552-D556 IonicContact CZ-OD1 3.93Å; R552-D556 VanDerWaalsContact CZ-OD1 3.23Å; R552-D556 IonicContact CZ-OD2 2.75Å; R552-D556 IonicContact NH1-OD1 3.84Å; R552-D556 PolarHBondContact NH1-OD1 3.12Å; R552-D556 IonicContact NH1-OD2 3.94Å; R552-D556 IonicContact NH2-OD1 2.56Å; R552-D556 PolarHBondContact NH2-OD1 3.47Å; S553-D556 PolarHBondContact N-OD2 2.96Å; S553-D556 WeakPolarHBondContact O-CB 3.37Å; S553-D556 PolarHBondContact O-N 3.08Å; S553-D556 PolarHBondContact OG-OD2 3.41Å; S553-D556 VanDerWaalsContact OG-OD2 3.13Å
557	F	96.8	Very high	90	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.177	C	C	.	.			trans	-150.3	73.5	171.1	-176.3	-114.9	0	0	0	109.2	G224 M227 R228 Y231 W518 P559 G560	G224-F557 WeakPolarHBondContact CA-O 3.45Å; G224-F557 WeakPolarHBondContact O-CB 3.41Å; M227-F557 HydrophobicContact CB-CD1 4.1Å; M227-F557 HydrophobicContact CB-CE1 4.46Å; M227-F557 HydrophobicContact CG-CD1 4.1Å; M227-F557 HydrophobicContact CG-CE1 3.98Å; R228-F557 HydrophobicContact CB-CB 3.79Å; R228-F557 HydrophobicContact CB-CD1 4.08Å; R228-F557 HydrophobicContact CB-CD2 4.35Å; R228-F557 HydrophobicContact CB-CG 3.84Å; R228-F557 HydrophobicContact CG-CB 4.19Å; R228-F557 HydrophobicContact CG-CD2 4.07Å; R228-F557 HydrophobicContact CG-CG 4.07Å; Y231-F557 HydrophobicContact CD1-CE1 4.33Å; Y231-F557 AromaticContact CD1-CZ 3.61Å; Y231-F557 HydrophobicContact CD1-CZ 3.61Å; Y231-F557 HydrophobicContact CD2-CE1 4.35Å; Y231-F557 HydrophobicContact CD2-CZ 4.3Å; Y231-F557 HydrophobicContact CE1-CZ 4.28Å; Y231-F557 AromaticContact CG-CE1 3.87Å; Y231-F557 HydrophobicContact CG-CE1 3.87Å; Y231-F557 AromaticContact CG-CZ 3.63Å; Y231-F557 HydrophobicContact CG-CZ 3.63Å; W518-F557 AromaticContact CH2-CE2 3.75Å; W518-F557 HydrophobicContact CH2-CE2 3.75Å; W518-F557 AromaticContact CH2-CZ 3.88Å; W518-F557 HydrophobicContact CH2-CZ 3.88Å; W518-F557 AromaticContact CZ2-CE2 3.94Å; W518-F557 HydrophobicContact CZ2-CE2 3.94Å; F557-P559 VanDerWaalsContact C-CD 3.46Å; F557-P559 HydrophobicContact CD2-CG 3.88Å; F557-P559 HydrophobicContact CE2-CG 3.65Å; F557-P559 HydrophobicContact CG-CG 4.43Å; F557-P559 HydrophobicContact CZ-CG 3.99Å; F557-G560 VanDerWaalsContact CD1-CA 3.47Å; F557-G560 VanDerWaalsContact CE1-CA 3.47Å; F557-G560 WeakPolarHBondContact O-CA 3.48Å; F557-G560 PolarHBondContact O-N 3.13Å
558	D	96.3	Very high	89.6	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.011	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-58.6	-36.4	-177.5	-63.2	-45.1	0	0	0	114.9	R220 N533 W537 R552 G560 S561	R220-D558 WeakPolarHBondContact CB-OD1 3.25Å; R220-D558 WeakPolarHBondContact CD-OD1 3.42Å; R220-D558 WeakPolarHBondContact CG-OD1 3.2Å; N533-D558 PolarHBondContact ND2-OD2 2.98Å; N533-D558 WeakPolarHBondContact OD1-CB 3.49Å; N533-D558 PolarHBondContact OD1-N 2.98Å; N533-D558 PolarHBondContact OD1-OD2 3.11Å; W537-D558 HydrophobicContact CZ2-CB 4.34Å; W537-D558 PolarHBondContact NE1-OD2 3.44Å; R552-D558 WeakPolarHBondContact CG-OD2 3.3Å; R552-D558 IonicContact CZ-OD1 2.59Å; R552-D558 VanDerWaalsContact CZ-OD1 3.31Å; R552-D558 IonicContact CZ-OD2 3.77Å; R552-D558 IonicContact NE-OD1 3.28Å; R552-D558 PolarHBondContact NE-OD1 3.49Å; R552-D558 VanDerWaalsContact NE-OD1 3.12Å; R552-D558 IonicContact NE-OD2 2.83Å; R552-D558 PolarHBondContact NE-OD2 2.95Å; R552-D558 IonicContact NH2-OD1 3.02Å; R552-D558 PolarHBondContact NH2-OD1 3.32Å; R552-D558 IonicContact NH2-OD2 2.82Å; D558-G560 PolarHBondContact O-N 2.75Å; D558-S561 WeakPolarHBondContact O-CB 3.4Å; D558-S561 PolarHBondContact O-N 3.06Å; D558-S561 PolarHBondContact O-OG 3.28Å
559	P	94.8	Very high	89.1	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-60.6	-27.6	172	21.1	-32	0	0	0	112.5	W518 W536 F557 S561 N562 I565	W518-P559 HydrophobicContact CH2-CB 4Å; W518-P559 HydrophobicContact CH2-CG 3.7Å; W518-P559 HydrophobicContact CZ2-CB 4.26Å; W518-P559 HydrophobicContact CZ2-CG 3.6Å; W518-P559 HydrophobicContact CZ3-CB 4.14Å; W518-P559 HydrophobicContact CZ3-CG 4.33Å; W536-P559 HydrophobicContact CB-CG 4.42Å; W536-P559 HydrophobicContact CD2-CB 3.97Å; W536-P559 HydrophobicContact CD2-CG 4.28Å; W536-P559 HydrophobicContact CE3-CB 3.88Å; W536-P559 HydrophobicContact CE3-CG 4.43Å; W536-P559 HydrophobicContact CG-CB 4.46Å; W536-P559 HydrophobicContact CG-CG 4.27Å; W536-P559 HydrophobicContact CZ3-CB 4.2Å; F557-P559 VanDerWaalsContact C-CD 3.46Å; F557-P559 HydrophobicContact CD2-CG 3.88Å; F557-P559 HydrophobicContact CE2-CG 3.65Å; F557-P559 HydrophobicContact CG-CG 4.43Å; F557-P559 HydrophobicContact CZ-CG 3.99Å; P559-S561 PolarHBondContact O-N 3.02Å; P559-S561 VanDerWaalsContact O-N 3.17Å; P559-N562 PolarHBondContact O-N 2.97Å; P559-N562 VanDerWaalsContact O-N 3.16Å; P559-I565 HydrophobicContact CB-CD1 3.86Å; P559-I565 HydrophobicContact CB-CG2 4.35Å
560	G	93.5	Very high	89	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-67.6	-6.8	173.5	0	0	0	0	0	115	F177 F557 D558 V566	F177-G560 WeakPolarHBondContact CE2-O 3.44Å; F177-G560 WeakPolarHBondContact CZ-O 3.42Å; F557-G560 VanDerWaalsContact CD1-CA 3.47Å; F557-G560 VanDerWaalsContact CE1-CA 3.47Å; F557-G560 WeakPolarHBondContact O-CA 3.48Å; F557-G560 PolarHBondContact O-N 3.13Å; D558-G560 PolarHBondContact O-N 2.75Å; G560-V566 WeakPolarHBondContact O-CG1 3.21Å
561	S	91.6	Very high	89	Confident	6 Å²	6	32.9 Å²	32.9	4%	0.042	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-90.7	-2.4	173.1	72.9	0	0	0	0	113.8	W219 R220 D558 P559	W219-S561 PolarHBondContact NE1-O 2.91Å; R220-S561 WeakPolarHBondContact CG-OG 3.45Å; D558-S561 WeakPolarHBondContact O-CB 3.4Å; D558-S561 PolarHBondContact O-N 3.06Å; D558-S561 PolarHBondContact O-OG 3.28Å; P559-S561 PolarHBondContact O-N 3.02Å; P559-S561 VanDerWaalsContact O-N 3.17Å
562	N	87.9	Confident	89.3	Confident	9 Å²	9	25.3 Å²	25.3	5%	0.048	13%	0.134	C	C	.	.			trans	-101.5	123.4	177.5	175.6	-69.8	0	0	0	111.1	S331 P559 Q564 I565 V566 Y571	S331-N562 PolarHBondContact OG-ND2 3.12Å; P559-N562 PolarHBondContact O-N 2.97Å; P559-N562 VanDerWaalsContact O-N 3.16Å; N562-Q564 PolarHBondContact O-N 3.07Å; N562-Q564 WeakPolarHBondContact OD1-CA 3.26Å; N562-Q564 WeakPolarHBondContact OD1-CB 3.34Å; N562-Q564 PolarHBondContact OD1-N 2.92Å; N562-I565 HydrophobicContact CB-CB 4.26Å; N562-I565 HydrophobicContact CB-CD1 4.06Å; N562-I565 HydrophobicContact CB-CG1 4.18Å; N562-I565 PolarHBondContact O-N 2.72Å; N562-I565 PolarHBondContact OD1-N 3.31Å; N562-V566 PolarHBondContact O-N 3.49Å; N562-V566 VanDerWaalsContact O-N 3.12Å; N562-Y571 PolarHBondContact ND2-OH 3.21Å; N562-Y571 VanDerWaalsContact ND2-OH 3.09Å; N562-Y571 PolarHBondContact OD1-OH 2.91Å
563	F	80.7	Confident	89.2	Confident	53 Å²	53	23.3 Å²	23.3	23%	0.232	13%	0.127	C	C	.	.	H	α-helix	trans	-61	-38.9	-175.8	-175.1	-103.4	0	0	0	113.7	Q24 F177 V566 T567	Q24-F563 VanDerWaalsContact NE2-CZ 3.29Å; F177-F563 HydrophobicContact CD1-CD2 4.01Å; F177-F563 HydrophobicContact CE1-CB 4.06Å; F177-F563 HydrophobicContact CE1-CD2 4.2Å; F563-V566 VanDerWaalsContact O-CG2 3.31Å; F563-V566 WeakPolarHBondContact O-CG2 3.19Å; F563-V566 PolarHBondContact O-N 3.47Å; F563-T567 HydrophobicContact CD1-CG2 4.29Å; F563-T567 HydrophobicContact CD2-CG2 4.1Å; F563-T567 HydrophobicContact CE1-CG2 3.87Å; F563-T567 HydrophobicContact CE2-CG2 3.65Å; F563-T567 HydrophobicContact CG-CG2 4.41Å; F563-T567 HydrophobicContact CZ-CG2 3.52Å; F563-T567 WeakPolarHBondContact O-CB 3.44Å; F563-T567 WeakPolarHBondContact O-CG2 3.42Å; F563-T567 PolarHBondContact O-N 3.05Å; F563-T567 PolarHBondContact O-OG1 2.89Å
564	Q	81.9	Confident	88.9	Confident	29 Å²	29	23.1 Å²	23.1	14%	0.136	12%	0.119	C	C	.	.	H	α-helix	trans	-70.2	-35.2	-178.4	-165.1	173	-29.1	0	0	111.8	N562 N568 A569 P570 Y571	N562-Q564 PolarHBondContact O-N 3.07Å; N562-Q564 WeakPolarHBondContact OD1-CA 3.26Å; N562-Q564 WeakPolarHBondContact OD1-CB 3.34Å; N562-Q564 PolarHBondContact OD1-N 2.92Å; Q564-N568 PolarHBondContact O-N 2.94Å; Q564-A569 HydrophobicContact CG-CB 3.41Å; Q564-A569 VanDerWaalsContact CG-CB 3.41Å; Q564-A569 PolarHBondContact O-N 2.95Å; Q564-P570 PolarHBondContact NE2-O 3.01Å; Q564-Y571 HydrophobicContact CB-CE2 3.8Å; Q564-Y571 HydrophobicContact CG-CD2 4.36Å; Q564-Y571 HydrophobicContact CG-CE2 3.82Å; Q564-Y571 PolarHBondContact OE1-OH 2.96Å
565	I	86.9	Confident	88.8	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.5	-54.6	172.8	-68.2	-180	0	0	0	110	Y231 W518 W536 P559 N562 T567 N568 Y571	Y231-I565 HydrophobicContact CD2-CG2 4.42Å; Y231-I565 HydrophobicContact CE2-CG2 3.57Å; W518-I565 HydrophobicContact CZ3-CG2 4.5Å; W536-I565 HydrophobicContact CH2-CD1 3.59Å; W536-I565 HydrophobicContact CZ3-CD1 3.64Å; P559-I565 HydrophobicContact CB-CD1 3.86Å; P559-I565 HydrophobicContact CB-CG2 4.35Å; N562-I565 HydrophobicContact CB-CB 4.26Å; N562-I565 HydrophobicContact CB-CD1 4.06Å; N562-I565 HydrophobicContact CB-CG1 4.18Å; N562-I565 PolarHBondContact O-N 2.72Å; N562-I565 PolarHBondContact OD1-N 3.31Å; I565-T567 VanDerWaalsContact C-N 3.29Å; I565-T567 PolarHBondContact O-N 3.04Å; I565-N568 WeakPolarHBondContact O-CA 3.46Å; I565-N568 PolarHBondContact O-N 3.06Å; I565-Y571 HydrophobicContact CG1-CE2 4.43Å
566	V	85.5	Confident	89	Confident	8 Å²	8	14 Å²	14	5%	0.048	7%	0.073	C	C	.	.	H	α-helix	trans	-67.5	-29.2	-174.7	-58.8	0	0	0	0	113.5	M173 F177 M227 G560 N562 F563 N568	M173-V566 HydrophobicContact CE-CB 3.86Å; M173-V566 HydrophobicContact CE-CG1 4.4Å; M173-V566 WeakPolarHBondContact CE-O 3.46Å; F177-V566 HydrophobicContact CD2-CG2 3.84Å; F177-V566 HydrophobicContact CE2-CB 4.01Å; F177-V566 HydrophobicContact CE2-CG1 3.65Å; F177-V566 HydrophobicContact CE2-CG2 3.39Å; F177-V566 HydrophobicContact CZ-CG1 4.18Å; F177-V566 HydrophobicContact CZ-CG2 3.75Å; M227-V566 HydrophobicContact CE-CB 4.33Å; M227-V566 HydrophobicContact CE-CG1 3.99Å; M227-V566 HydrophobicContact CG-CG1 3.75Å; M227-V566 HydrophobicContact SD-CB 4.02Å; M227-V566 HydrophobicContact SD-CG1 3.64Å; G560-V566 WeakPolarHBondContact O-CG1 3.21Å; N562-V566 PolarHBondContact O-N 3.49Å; N562-V566 VanDerWaalsContact O-N 3.12Å; F563-V566 VanDerWaalsContact O-CG2 3.31Å; F563-V566 WeakPolarHBondContact O-CG2 3.19Å; F563-V566 PolarHBondContact O-N 3.47Å; V566-N568 PolarHBondContact O-N 3.39Å
567	T	76.7	Confident	88.9	Confident	38 Å²	38	13.3 Å²	13.3	23%	0.233	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	7.5	173.4	59.6	0	0	0	0	112.7	K20 F563 I565 A569	K20-T567 WeakPolarHBondContact CE-O 3.28Å; K20-T567 VanDerWaalsContact NZ-CB 3.28Å; K20-T567 PolarHBondContact NZ-O 3.03Å; K20-T567 PolarHBondContact NZ-OG1 3.35Å; F563-T567 HydrophobicContact CD1-CG2 4.29Å; F563-T567 HydrophobicContact CD2-CG2 4.1Å; F563-T567 HydrophobicContact CE1-CG2 3.87Å; F563-T567 HydrophobicContact CE2-CG2 3.65Å; F563-T567 HydrophobicContact CG-CG2 4.41Å; F563-T567 HydrophobicContact CZ-CG2 3.52Å; F563-T567 WeakPolarHBondContact O-CB 3.44Å; F563-T567 WeakPolarHBondContact O-CG2 3.42Å; F563-T567 PolarHBondContact O-N 3.05Å; F563-T567 PolarHBondContact O-OG1 2.89Å; I565-T567 VanDerWaalsContact C-N 3.29Å; I565-T567 PolarHBondContact O-N 3.04Å; T567-A569 VanDerWaalsContact C-N 3.3Å; T567-A569 PolarHBondContact O-N 2.92Å
568	N	85.8	Confident	88.5	Confident	30 Å²	30	14.3 Å²	14.3	16%	0.16	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	37.9	178.6	-164.5	43.6	0	0	0	114.3	L234 L238 W254 Y523 Q564 I565 V566	L234-N568 HydrophobicContact CD2-CB 4.4Å; L238-N568 WeakPolarHBondContact CD1-ND2 3.4Å; W254-N568 WeakPolarHBondContact CZ2-OD1 3.45Å; Y523-N568 PolarHBondContact OH-OD1 3.41Å; Q564-N568 PolarHBondContact O-N 2.94Å; I565-N568 WeakPolarHBondContact O-CA 3.46Å; I565-N568 PolarHBondContact O-N 3.06Å; V566-N568 PolarHBondContact O-N 3.39Å
569	A	80.5	Confident	88.5	Confident	4 Å²	4	14.3 Å²	14.3	3%	0.033	8%	0.076	C	C	.	.			trans	-85.2	128.1	169.6	0	0	0	0	0	110.2	K20 R519 Q564 T567	K20-A569 VanDerWaalsContact NZ-CA 3.3Å; R519-A569 VanDerWaalsContact CZ-O 3.23Å; R519-A569 PolarHBondContact NH1-O 3.21Å; R519-A569 PolarHBondContact NH2-O 3.28Å; Q564-A569 HydrophobicContact CG-CB 3.41Å; Q564-A569 VanDerWaalsContact CG-CB 3.41Å; Q564-A569 PolarHBondContact O-N 2.95Å; T567-A569 VanDerWaalsContact C-N 3.3Å; T567-A569 PolarHBondContact O-N 2.92Å
570	P	86.7	Confident	88.7	Confident	22 Å²	22	14.3 Å²	14.3	14%	0.143	8%	0.076	C	C	.	.			trans	-60.7	147.4	172.5	23	-30.5	0	0	0	111.6	W254 Q564 N572	W254-P570 HydrophobicContact CD2-CB 3.97Å; W254-P570 HydrophobicContact CE3-CB 4.24Å; W254-P570 HydrophobicContact CG-CB 4.26Å; W254-P570 HydrophobicContact CZ2-CB 4.44Å; Q564-P570 PolarHBondContact NE2-O 3.01Å; P570-N572 WeakPolarHBondContact CB-ND2 3.03Å
571	Y	90	Very high	88.8	Confident	6 Å²	6	14.9 Å²	14.9	2%	0.024	8%	0.079	C	C	.	.	S	Bend	trans	-90.3	-22.6	169.9	-91	-84.7	0	0	0	112.1	F511 G512 A515 D516 N562 Q564 I565 E573 E574 V575	F511-Y571 HydrophobicContact CD1-CD1 4.32Å; F511-Y571 AromaticContact CD1-CE1 3.81Å; F511-Y571 HydrophobicContact CD1-CE1 3.81Å; F511-Y571 HydrophobicContact CD1-CE2 4.33Å; F511-Y571 AromaticContact CD1-CZ 3.84Å; F511-Y571 AromaticContact CE1-CE1 3.91Å; F511-Y571 HydrophobicContact CE1-CE1 3.91Å; F511-Y571 AromaticContact CE1-CE2 3.77Å; F511-Y571 HydrophobicContact CE1-CE2 3.77Å; F511-Y571 AromaticContact CE1-CZ 3.42Å; F511-Y571 VanDerWaalsContact CE1-CZ 3.42Å; F511-Y571 WeakPolarHBondContact CE1-OH 3.18Å; G512-Y571 VanDerWaalsContact CA-CB 3.46Å; A515-Y571 HydrophobicContact CB-CD2 3.76Å; A515-Y571 HydrophobicContact CB-CE2 4.18Å; A515-Y571 HydrophobicContact CB-CG 4.42Å; D516-Y571 PolarHBondContact OD1-N 2.77Å; D516-Y571 PolarHBondContact OD2-N 2.87Å; D516-Y571 VanDerWaalsContact OD2-N 3.16Å; N562-Y571 PolarHBondContact ND2-OH 3.21Å; N562-Y571 VanDerWaalsContact ND2-OH 3.09Å; N562-Y571 PolarHBondContact OD1-OH 2.91Å; Q564-Y571 HydrophobicContact CB-CE2 3.8Å; Q564-Y571 HydrophobicContact CG-CD2 4.36Å; Q564-Y571 HydrophobicContact CG-CE2 3.82Å; Q564-Y571 PolarHBondContact OE1-OH 2.96Å; I565-Y571 HydrophobicContact CG1-CE2 4.43Å; Y571-E573 PolarHBondContact O-N 3.35Å; Y571-E573 VanDerWaalsContact O-N 3.16Å; Y571-E574 PolarHBondContact O-N 3.42Å; Y571-V575 PolarHBondContact O-N 2.75Å
572	N	92.8	Very high	89.2	Confident	3 Å²	3	14.6 Å²	14.6	2%	0.016	8%	0.077	C	C	.	.	H	α-helix	trans	-54.6	-35.4	-178.5	60.4	70	0	0	0	113.6	Y258 L264 L268 D516 P570 E574 V575 V576	Y258-N572 HydrophobicContact CE2-CB 4.49Å; Y258-N572 VanDerWaalsContact CE2-OD1 3.25Å; Y258-N572 WeakPolarHBondContact CE2-OD1 3.43Å; Y258-N572 PolarHBondContact OH-O 3.17Å; Y258-N572 PolarHBondContact OH-OD1 3.5Å; L264-N572 HydrophobicContact CD1-CB 4.13Å; L264-N572 HydrophobicContact CD2-CB 4.37Å; L268-N572 HydrophobicContact CD1-CB 4.06Å; L268-N572 HydrophobicContact CD2-CB 4Å; D516-N572 VanDerWaalsContact OD2-CB 3.25Å; D516-N572 WeakPolarHBondContact OD2-CB 3.13Å; D516-N572 PolarHBondContact OD2-N 3.04Å; D516-N572 PolarHBondContact OD2-ND2 2.91Å; P570-N572 WeakPolarHBondContact CB-ND2 3.03Å; N572-E574 VanDerWaalsContact C-N 3.29Å; N572-E574 PolarHBondContact O-N 3.05Å; N572-V575 PolarHBondContact O-N 2.77Å; N572-V576 VanDerWaalsContact O-CB 3.27Å; N572-V576 WeakPolarHBondContact O-CB 3.26Å; N572-V576 VanDerWaalsContact O-CG2 3.26Å; N572-V576 WeakPolarHBondContact O-CG2 3.36Å; N572-V576 PolarHBondContact O-N 3.12Å
573	E	88.4	Confident	89.7	Confident	9 Å²	9	14.7 Å²	14.7	4%	0.042	8%	0.077	C	C	.	.	H	α-helix	trans	-58.2	-43.9	176.8	174.6	180	169.2	0	0	111.5	N16 P458 A459 R461 N462 Y571 G577	N16-E573 PolarHBondContact ND2-OE2 3.28Å; N16-E573 PolarHBondContact OD1-OE1 3.45Å; N16-E573 PolarHBondContact OD1-OE2 3.21Å; P458-E573 HydrophobicContact CB-CG 3.76Å; P458-E573 WeakPolarHBondContact CB-OE1 3.48Å; P458-E573 WeakPolarHBondContact CB-OE2 3.23Å; A459-E573 HydrophobicContact CB-CG 4.48Å; R461-E573 IonicContact NH2-OE1 2.9Å; N462-E573 PolarHBondContact ND2-OE1 2.59Å; Y571-E573 PolarHBondContact O-N 3.35Å; Y571-E573 VanDerWaalsContact O-N 3.16Å; E573-G577 WeakPolarHBondContact O-CA 3.3Å; E573-G577 PolarHBondContact O-N 3.37Å
574	E	86.7	Confident	90.5	Very high	52 Å²	52	12.1 Å²	12.1	24%	0.243	7%	0.066	C	C	.	.	H	α-helix	trans	-73.3	-43.3	179.4	-172.9	179.1	136	0	0	111.2	Q14 S508 Y571 N572 G577 N578	Q14-E574 PolarHBondContact NE2-OE2 2.81Å; S508-E574 PolarHBondContact OG-OE1 3.02Å; Y571-E574 PolarHBondContact O-N 3.42Å; N572-E574 VanDerWaalsContact C-N 3.29Å; N572-E574 PolarHBondContact O-N 3.05Å; E574-G577 PolarHBondContact O-N 3.13Å; E574-N578 WeakPolarHBondContact O-CB 3.45Å; E574-N578 PolarHBondContact O-N 3.11Å; E574-N578 PolarHBondContact O-ND2 3.45Å
575	V	93.5	Very high	91.3	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.006	6%	0.06	C	C	.	.	H	α-helix	trans	-59.8	-54	178.2	173.4	0	0	0	0	110.8	L268 L271 I509 V513 Y571 N572 N578 V579	L268-V575 HydrophobicContact CD2-CB 4.2Å; L268-V575 HydrophobicContact CD2-CG1 3.88Å; L271-V575 HydrophobicContact CD1-CG1 3.91Å; I509-V575 HydrophobicContact CG1-CG1 4.35Å; I509-V575 HydrophobicContact CG2-CG1 4.05Å; V513-V575 HydrophobicContact CG2-CG1 4.1Å; Y571-V575 PolarHBondContact O-N 2.75Å; N572-V575 PolarHBondContact O-N 2.77Å; V575-N578 PolarHBondContact O-N 3.02Å; V575-V579 PolarHBondContact O-N 3.29Å
576	V	95.9	Very high	91.8	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.012	7%	0.072	C	C	.	.	H	α-helix	trans	-66.2	-41.1	-179.1	176.4	0	0	0	0	110.1	Y258 L268 L271 A459 N572 N578 V579 L580 L638	Y258-V576 HydrophobicContact CE1-CB 4.3Å; Y258-V576 HydrophobicContact CE1-CG1 4.02Å; Y258-V576 HydrophobicContact CE1-CG2 4.14Å; L268-V576 HydrophobicContact CD2-CG2 4.26Å; L271-V576 HydrophobicContact CD1-CG2 4.07Å; A459-V576 HydrophobicContact CB-CB 4Å; A459-V576 HydrophobicContact CB-CG1 3.88Å; N572-V576 VanDerWaalsContact O-CB 3.27Å; N572-V576 WeakPolarHBondContact O-CB 3.26Å; N572-V576 VanDerWaalsContact O-CG2 3.26Å; N572-V576 WeakPolarHBondContact O-CG2 3.36Å; N572-V576 PolarHBondContact O-N 3.12Å; V576-N578 PolarHBondContact O-N 3.1Å; V576-V579 PolarHBondContact O-N 3.02Å; V576-L580 HydrophobicContact CG1-CD1 3.53Å; V576-L580 HydrophobicContact CG1-CG 4.1Å; V576-L580 VanDerWaalsContact O-CB 3.3Å; V576-L580 WeakPolarHBondContact O-CB 3.44Å; V576-L580 WeakPolarHBondContact O-CG 3.36Å; V576-L580 PolarHBondContact O-N 3.13Å; V576-L638 HydrophobicContact CG1-CD2 4.05Å; V576-L638 HydrophobicContact CG2-CD2 4.44Å
577	G	93.8	Very high	92.5	Very high	5 Å²	5	13.3 Å²	13.3	5%	0.052	7%	0.07	C	C	.	.	H	α-helix	trans	-61.2	-42.2	175.9	0	0	0	0	0	113.4	E573 E574 V579 L580 Q581	E573-G577 WeakPolarHBondContact O-CA 3.3Å; E573-G577 PolarHBondContact O-N 3.37Å; E574-G577 PolarHBondContact O-N 3.13Å; G577-V579 VanDerWaalsContact C-N 3.3Å; G577-V579 PolarHBondContact O-N 3.17Å; G577-L580 PolarHBondContact O-N 2.91Å; G577-Q581 PolarHBondContact O-N 3.14Å; G577-Q581 VanDerWaalsContact O-N 3.14Å
578	N	89.2	Confident	93.5	Very high	22 Å²	22	11.5 Å²	11.5	12%	0.118	6%	0.059	C	C	.	.	H	α-helix	trans	-64.3	-34.1	-179.8	-81	-16.4	0	0	0	112.4	Q505 S508 E574 V575 V576 Q581 F582	Q505-N578 HydrophobicContact CB-CB 4.31Å; S508-N578 PolarHBondContact OG-ND2 3.29Å; E574-N578 WeakPolarHBondContact O-CB 3.45Å; E574-N578 PolarHBondContact O-N 3.11Å; E574-N578 PolarHBondContact O-ND2 3.45Å; V575-N578 PolarHBondContact O-N 3.02Å; V576-N578 PolarHBondContact O-N 3.1Å; N578-Q581 WeakPolarHBondContact O-CG 3.11Å; N578-Q581 PolarHBondContact O-NE2 3.28Å; N578-F582 WeakPolarHBondContact O-CD2 3.38Å; N578-F582 WeakPolarHBondContact O-CE2 3.4Å
579	V	96.8	Very high	94.1	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.006	5%	0.053	C	C	.	.	H	α-helix	trans	-78.8	-49.9	175.8	174.4	0	0	0	0	110.9	L271 I509 V575 V576 G577 Q581 F582 L638 S639 V640	L271-V579 HydrophobicContact CD2-CB 4.28Å; L271-V579 HydrophobicContact CD2-CG1 3.89Å; L271-V579 HydrophobicContact CD2-CG2 4.07Å; I509-V579 HydrophobicContact CD1-CG2 3.94Å; V575-V579 PolarHBondContact O-N 3.29Å; V576-V579 PolarHBondContact O-N 3.02Å; G577-V579 VanDerWaalsContact C-N 3.3Å; G577-V579 PolarHBondContact O-N 3.17Å; V579-Q581 VanDerWaalsContact C-N 3.27Å; V579-Q581 PolarHBondContact O-N 3.23Å; V579-F582 PolarHBondContact O-N 3.24Å; V579-L638 HydrophobicContact CG1-CD1 3.97Å; V579-S639 VanDerWaalsContact CG1-O 3.29Å; V579-S639 WeakPolarHBondContact CG1-O 3.48Å; V579-V640 HydrophobicContact CG1-CB 4.48Å; V579-V640 HydrophobicContact CG1-CG2 3.94Å; V579-V640 HydrophobicContact CG2-CG2 4.18Å
580	L	97.3	Very high	95	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60.3	-32	-174.6	-83.5	174.1	0	0	0	113.8	M460 A463 V576 G577 F582 Q583 I584 L629 L638	M460-L580 HydrophobicContact CG-CD1 4.18Å; M460-L580 HydrophobicContact SD-CD1 3.65Å; M460-L580 HydrophobicContact SD-CD2 4.37Å; A463-L580 HydrophobicContact CB-CB 3.38Å; A463-L580 HydrophobicContact CB-CD1 4.41Å; V576-L580 HydrophobicContact CG1-CD1 3.53Å; V576-L580 HydrophobicContact CG1-CG 4.1Å; V576-L580 VanDerWaalsContact O-CB 3.3Å; V576-L580 WeakPolarHBondContact O-CB 3.44Å; V576-L580 WeakPolarHBondContact O-CG 3.36Å; V576-L580 PolarHBondContact O-N 3.13Å; G577-L580 PolarHBondContact O-N 2.91Å; L580-F582 PolarHBondContact O-N 3.2Å; L580-Q583 PolarHBondContact O-N 3.43Å; L580-Q583 VanDerWaalsContact O-N 3.13Å; L580-I584 WeakPolarHBondContact O-CB 3.43Å; L580-I584 WeakPolarHBondContact O-CG1 3.17Å; L580-I584 PolarHBondContact O-N 2.61Å; L580-L629 HydrophobicContact CD2-CD1 3.66Å; L580-L629 HydrophobicContact CD2-CD2 3.82Å; L580-L629 HydrophobicContact CD2-CG 4.41Å; L580-L638 HydrophobicContact CD1-CD1 4.39Å; L580-L638 HydrophobicContact CD2-CD1 3.34Å; L580-L638 HydrophobicContact CG-CD1 3.44Å; L580-L638 VanDerWaalsContact CG-CD1 3.44Å
581	Q	97.3	Very high	95.5	Very high	13 Å²	13	16.4 Å²	16.4	6%	0.061	8%	0.081	C	C	.	.	H	α-helix	trans	-59.1	-35.1	-178.5	73.9	-170.4	-50.1	0	0	112.3	A463 A467 L470 Q505 G577 N578 V579 L585	A463-Q581 HydrophobicContact CB-CB 4.36Å; A463-Q581 WeakPolarHBondContact O-CA 3.49Å; A463-Q581 VanDerWaalsContact O-CB 3.26Å; A463-Q581 WeakPolarHBondContact O-CB 3.42Å; A467-Q581 VanDerWaalsContact CB-O 3.27Å; A467-Q581 WeakPolarHBondContact CB-O 3.48Å; L470-Q581 HydrophobicContact CD1-CG 4.07Å; Q505-Q581 VanDerWaalsContact CD-NE2 3.27Å; G577-Q581 PolarHBondContact O-N 3.14Å; G577-Q581 VanDerWaalsContact O-N 3.14Å; N578-Q581 WeakPolarHBondContact O-CG 3.11Å; N578-Q581 PolarHBondContact O-NE2 3.28Å; V579-Q581 VanDerWaalsContact C-N 3.27Å; V579-Q581 PolarHBondContact O-N 3.23Å; Q581-L585 VanDerWaalsContact O-CB 3.28Å; Q581-L585 WeakPolarHBondContact O-CB 3.17Å; Q581-L585 PolarHBondContact O-N 2.93Å
582	F	98.3	Very high	95.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-75.2	-37.5	177.9	-61.8	-79.7	0	0	0	111.4	L470 I501 N578 V579 L580 L585 K586 P642 M643 Y646 M647	L470-F582 HydrophobicContact CD1-CD1 4.12Å; L470-F582 HydrophobicContact CD1-CE1 3.85Å; L470-F582 HydrophobicContact CD1-CZ 4.35Å; I501-F582 HydrophobicContact CG2-CZ 4.08Å; N578-F582 WeakPolarHBondContact O-CD2 3.38Å; N578-F582 WeakPolarHBondContact O-CE2 3.4Å; V579-F582 PolarHBondContact O-N 3.24Å; L580-F582 PolarHBondContact O-N 3.2Å; F582-L585 PolarHBondContact O-N 3.26Å; F582-K586 WeakPolarHBondContact O-CB 3.27Å; F582-K586 PolarHBondContact O-N 3.32Å; F582-P642 HydrophobicContact CB-CB 4.15Å; F582-P642 WeakPolarHBondContact O-CB 3.26Å; F582-M643 HydrophobicContact CB-CB 4.02Å; F582-M643 HydrophobicContact CD2-CB 3.67Å; F582-M643 HydrophobicContact CD2-CE 4.46Å; F582-M643 HydrophobicContact CD2-CG 3.53Å; F582-M643 HydrophobicContact CD2-SD 4.2Å; F582-M643 HydrophobicContact CE2-CB 4.34Å; F582-M643 HydrophobicContact CE2-CE 3.82Å; F582-M643 HydrophobicContact CE2-CG 3.68Å; F582-M643 HydrophobicContact CE2-SD 4.14Å; F582-M643 HydrophobicContact CG-CB 3.88Å; F582-M643 HydrophobicContact CG-CG 4.06Å; F582-M643 HydrophobicContact CZ-CE 4.46Å; F582-M643 HydrophobicContact CZ-CG 4.31Å; F582-Y646 HydrophobicContact CD1-CD1 4.11Å; F582-Y646 AromaticContact CD1-CD2 3.8Å; F582-Y646 HydrophobicContact CD1-CD2 3.8Å; F582-Y646 HydrophobicContact CD1-CE2 4.48Å; F582-Y646 AromaticContact CD1-CG 3.58Å; F582-Y646 HydrophobicContact CD1-CG 3.58Å; F582-Y646 AromaticContact CE1-CD1 3.6Å; F582-Y646 HydrophobicContact CE1-CD1 3.6Å; F582-Y646 AromaticContact CE1-CD2 3.93Å; F582-Y646 HydrophobicContact CE1-CD2 3.93Å; F582-Y646 HydrophobicContact CE1-CE1 4.01Å; F582-Y646 HydrophobicContact CE1-CE2 4.28Å; F582-Y646 AromaticContact CE1-CG 3.58Å; F582-Y646 HydrophobicContact CE1-CG 3.58Å; F582-M647 HydrophobicContact CZ-CE 3.98Å
583	Q	98.3	Very high	96.1	Very high	10 Å²	10	20.1 Å²	20.1	5%	0.047	12%	0.119	C	C	.	.	H	α-helix	trans	-64.9	-43.4	175.3	-173.8	176	-25.9	0	0	111.7	L580 K586 G587 T633 E637 P642	L580-Q583 PolarHBondContact O-N 3.43Å; L580-Q583 VanDerWaalsContact O-N 3.13Å; Q583-K586 PolarHBondContact O-N 3.15Å; Q583-G587 PolarHBondContact O-N 3.12Å; Q583-G587 VanDerWaalsContact O-N 3.09Å; Q583-T633 HydrophobicContact CG-CG2 4.16Å; Q583-T633 WeakPolarHBondContact O-CG2 3.47Å; Q583-E637 PolarHBondContact NE2-O 2.85Å; Q583-E637 PolarHBondContact OE1-O 3.08Å; Q583-P642 HydrophobicContact CB-CB 4.32Å; Q583-P642 HydrophobicContact CB-CG 3.91Å; Q583-P642 HydrophobicContact CG-CG 4.09Å
584	I	98.5	Very high	96.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.9	-48.1	173.6	-67	171.9	0	0	0	110	M460 A463 L464 A467 L580 K586 G587 L588 L629 L632 T633	M460-I584 HydrophobicContact CE-CD1 4.5Å; M460-I584 HydrophobicContact SD-CD1 4.36Å; A463-I584 HydrophobicContact CB-CD1 3.78Å; L464-I584 HydrophobicContact CB-CD1 4.24Å; A467-I584 HydrophobicContact CB-CB 3.98Å; A467-I584 HydrophobicContact CB-CG2 3.69Å; L580-I584 WeakPolarHBondContact O-CB 3.43Å; L580-I584 WeakPolarHBondContact O-CG1 3.17Å; L580-I584 PolarHBondContact O-N 2.61Å; I584-K586 VanDerWaalsContact C-N 3.34Å; I584-K586 PolarHBondContact O-N 3.18Å; I584-G587 PolarHBondContact O-N 2.97Å; I584-L588 HydrophobicContact CG2-CD1 3.81Å; I584-L588 HydrophobicContact CG2-CG 4.21Å; I584-L588 VanDerWaalsContact O-CG 3.28Å; I584-L588 WeakPolarHBondContact O-CG 3.22Å; I584-L588 PolarHBondContact O-N 3.29Å; I584-L629 HydrophobicContact CG1-CD1 4.23Å; I584-L632 HydrophobicContact CD1-CD1 4.3Å; I584-L632 HydrophobicContact CG1-CD1 4.37Å; I584-L632 HydrophobicContact CG2-CD1 4.49Å; I584-T633 HydrophobicContact CG1-CG2 4.22Å
585	L	98.5	Very high	96.8	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-55	-50.1	177.9	178.7	62.7	0	0	0	111	A467 L470 Q581 F582 G587 L588 C589 L598 L603 Y646	A467-L585 HydrophobicContact CB-CB 4.12Å; L470-L585 HydrophobicContact CB-CD2 3.98Å; L470-L585 HydrophobicContact CD1-CD2 4.19Å; Q581-L585 VanDerWaalsContact O-CB 3.28Å; Q581-L585 WeakPolarHBondContact O-CB 3.17Å; Q581-L585 PolarHBondContact O-N 2.93Å; F582-L585 PolarHBondContact O-N 3.26Å; L585-G587 PolarHBondContact O-N 2.83Å; L585-L588 PolarHBondContact O-N 3.49Å; L585-C589 WeakPolarHBondContact O-CB 3.09Å; L585-C589 PolarHBondContact O-N 3.02Å; L585-C589 PolarHBondContact O-SG 3.32Å; L585-L598 HydrophobicContact CD2-CD1 4.42Å; L585-L598 HydrophobicContact CD2-CG 4.42Å; L585-L598 HydrophobicContact CG-CD1 4.14Å; L585-L603 HydrophobicContact CD1-CD1 4.49Å; L585-Y646 HydrophobicContact CD2-CD2 4.01Å; L585-Y646 HydrophobicContact CD2-CE2 3.97Å
586	K	98.4	Very high	96.9	Very high	58 Å²	58	30.4 Å²	30.4	25%	0.252	18%	0.18	S	C	.	.	H	α-helix	trans	-55.5	-51.8	178.1	-178.8	174	178.1	167.4	0	112.3	F582 Q583 I584 L588 C589 E590 L598 P642 E645	F582-K586 WeakPolarHBondContact O-CB 3.27Å; F582-K586 PolarHBondContact O-N 3.32Å; Q583-K586 PolarHBondContact O-N 3.15Å; I584-K586 VanDerWaalsContact C-N 3.34Å; I584-K586 PolarHBondContact O-N 3.18Å; K586-L588 VanDerWaalsContact C-N 3.26Å; K586-L588 PolarHBondContact O-N 2.94Å; K586-C589 WeakPolarHBondContact O-CB 3.16Å; K586-C589 PolarHBondContact O-N 3.19Å; K586-C589 VanDerWaalsContact O-N 3.11Å; K586-E590 WeakPolarHBondContact CE-OE1 3.16Å; K586-E590 WeakPolarHBondContact O-CG 3.42Å; K586-E590 PolarHBondContact O-N 3.15Å; K586-L598 HydrophobicContact CB-CD1 4.08Å; K586-L598 HydrophobicContact CB-CD2 3.96Å; K586-P642 HydrophobicContact CB-CB 4.1Å; K586-P642 HydrophobicContact CD-CB 4.03Å; K586-P642 HydrophobicContact CD-CG 4.05Å; K586-E645 WeakPolarHBondContact CD-OE2 3.32Å; K586-E645 WeakPolarHBondContact CE-OE2 3.5Å; K586-E645 IonicContact NZ-OE2 2.71Å; K586-E645 PolarHBondContact NZ-OE2 3Å
587	G	98.3	Very high	96.9	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-60	-35	179.2	0	0	0	0	0	113.8	Q583 I584 L585 T591	Q583-G587 PolarHBondContact O-N 3.12Å; Q583-G587 VanDerWaalsContact O-N 3.09Å; I584-G587 PolarHBondContact O-N 2.97Å; L585-G587 PolarHBondContact O-N 2.83Å; G587-T591 PolarHBondContact O-N 2.86Å; G587-T591 PolarHBondContact O-OG1 3.48Å
588	L	98.6	Very high	97.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-74.9	-36.6	175.3	-63	179.7	0	0	0	112.1	L468 I584 L585 K586 T591 A592 L603 V609 K612 L613 L632	L468-L588 HydrophobicContact CD2-CD1 4.41Å; I584-L588 HydrophobicContact CG2-CD1 3.81Å; I584-L588 HydrophobicContact CG2-CG 4.21Å; I584-L588 VanDerWaalsContact O-CG 3.28Å; I584-L588 WeakPolarHBondContact O-CG 3.22Å; I584-L588 PolarHBondContact O-N 3.29Å; L585-L588 PolarHBondContact O-N 3.49Å; K586-L588 VanDerWaalsContact C-N 3.26Å; K586-L588 PolarHBondContact O-N 2.94Å; L588-T591 CarbonylContact O-C 3.59Å; L588-T591 WeakPolarHBondContact O-CB 3.32Å; L588-T591 PolarHBondContact O-N 3.32Å; L588-A592 PolarHBondContact O-N 3.41Å; L588-L603 HydrophobicContact CB-CD1 3.93Å; L588-L603 HydrophobicContact CB-CD2 3.75Å; L588-L603 HydrophobicContact CD1-CD1 3.85Å; L588-V609 HydrophobicContact CB-CG1 4.4Å; L588-V609 HydrophobicContact CB-CG2 4.49Å; L588-V609 HydrophobicContact CD2-CG1 4.25Å; L588-V609 WeakPolarHBondContact O-CG2 3.43Å; L588-K612 HydrophobicContact CD2-CD 4.14Å; L588-L613 HydrophobicContact CD1-CD2 3.88Å; L588-L613 HydrophobicContact CD1-CG 4.48Å; L588-L613 HydrophobicContact CD2-CD2 4.24Å; L588-L613 HydrophobicContact CD2-CG 4.37Å; L588-L632 HydrophobicContact CD2-CD2 4.19Å
589	C	98.6	Very high	97.3	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.034	20%	0.197	C	C	.	.	H	α-helix	trans	-64.2	-42.2	175.1	-67.5	0	0	0	0	112.3	L585 K586 T591 A592 G593 F594 L598 C601	L585-C589 WeakPolarHBondContact O-CB 3.09Å; L585-C589 PolarHBondContact O-N 3.02Å; L585-C589 PolarHBondContact O-SG 3.32Å; K586-C589 WeakPolarHBondContact O-CB 3.16Å; K586-C589 PolarHBondContact O-N 3.19Å; K586-C589 VanDerWaalsContact O-N 3.11Å; C589-T591 VanDerWaalsContact C-N 3.29Å; C589-T591 PolarHBondContact O-N 2.96Å; C589-A592 CarbonylContact O-C 3.58Å; C589-A592 WeakPolarHBondContact O-CB 3.48Å; C589-A592 PolarHBondContact O-N 3.29Å; C589-A592 VanDerWaalsContact O-N 3.14Å; C589-G593 PolarHBondContact O-N 2.87Å; C589-F594 HydrophobicContact CB-CB 4.4Å; C589-F594 PolarHBondContact O-N 2.86Å; C589-L598 HydrophobicContact CB-CD1 4.14Å; C589-C601 VanDerWaalsContact CA-SG 3.55Å; C589-C601 HydrophobicContact CB-CB 3.92Å; C589-C601 WeakPolarHBondContact CB-SG 3.43Å; C589-C601 WeakPolarHBondContact SG-CB 3.25Å; C589-C601 CovalentContact SG-SG 2.01Å; C589-C601 PolarHBondContact SG-SG 3.27Å
590	E	98.1	Very high	97.3	Very high	115 Å²	115	37.9 Å²	37.9	54%	0.537	22%	0.217	S	C	.	.	H	α-helix	trans	-60.3	-41.5	171.8	-70.7	170.8	177.4	0	0	110.9	K586 A592 G593	K586-E590 WeakPolarHBondContact CE-OE1 3.16Å; K586-E590 WeakPolarHBondContact O-CG 3.42Å; K586-E590 PolarHBondContact O-N 3.15Å; E590-A592 VanDerWaalsContact C-N 3.29Å; E590-A592 PolarHBondContact O-N 2.83Å; E590-G593 PolarHBondContact O-N 3.49Å
591	T	98.1	Very high	97.3	Very high	39 Å²	39	37.9 Å²	37.9	24%	0.239	22%	0.218	C	C	.	.	H	α-helix	trans	-65.2	-33.1	175.6	-53.6	0	0	0	0	112.2	G587 L588 C589 G593 A608 V609 K612	G587-T591 PolarHBondContact O-N 2.86Å; G587-T591 PolarHBondContact O-OG1 3.48Å; L588-T591 CarbonylContact O-C 3.59Å; L588-T591 WeakPolarHBondContact O-CB 3.32Å; L588-T591 PolarHBondContact O-N 3.32Å; C589-T591 VanDerWaalsContact C-N 3.29Å; C589-T591 PolarHBondContact O-N 2.96Å; T591-G593 PolarHBondContact O-N 3.43Å; T591-A608 HydrophobicContact CG2-CB 4.18Å; T591-V609 HydrophobicContact CG2-CG2 4.13Å; T591-K612 HydrophobicContact CG2-CD 4.13Å; T591-K612 WeakPolarHBondContact OG1-CE 3.17Å; T591-K612 PolarHBondContact OG1-NZ 3Å
592	A	97.9	Very high	97.2	Very high	36 Å²	36	38.1 Å²	38.1	30%	0.298	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-7.2	173.1	0	0	0	0	0	113.2	L588 C589 E590 F594 L603 V609	L588-A592 PolarHBondContact O-N 3.41Å; C589-A592 CarbonylContact O-C 3.58Å; C589-A592 WeakPolarHBondContact O-CB 3.48Å; C589-A592 PolarHBondContact O-N 3.29Å; C589-A592 VanDerWaalsContact O-N 3.14Å; E590-A592 VanDerWaalsContact C-N 3.29Å; E590-A592 PolarHBondContact O-N 2.83Å; A592-F594 PolarHBondContact O-N 2.97Å; A592-L603 HydrophobicContact CB-CD2 4.42Å; A592-V609 HydrophobicContact CB-CG2 3.87Å
593	G	97	Very high	97.2	Very high	52 Å²	52	38.1 Å²	38.1	54%	0.536	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	19.4	-173.6	0	0	0	0	0	113.2	C589 E590 T591	C589-G593 PolarHBondContact O-N 2.87Å; E590-G593 PolarHBondContact O-N 3.49Å; T591-G593 PolarHBondContact O-N 3.43Å
594	F	97.1	Very high	97.2	Very high	59 Å²	59	41.3 Å²	41.3	26%	0.259	23%	0.233	S	C	.	.			trans	-68	134.2	179.9	178.9	-101.1	0	0	0	110.5	C589 A592 P597 Q600 C601	C589-F594 HydrophobicContact CB-CB 4.4Å; C589-F594 PolarHBondContact O-N 2.86Å; A592-F594 PolarHBondContact O-N 2.97Å; F594-P597 WeakPolarHBondContact CE1-O 3.38Å; F594-Q600 HydrophobicContact CZ-CB 4.02Å; F594-C601 HydrophobicContact CD1-CB 3.58Å; F594-C601 HydrophobicContact CE1-CB 3.74Å; F594-C601 HydrophobicContact CG-CB 4.02Å; F594-C601 HydrophobicContact CZ-CB 4.32Å
595	Q	94.3	Very high	97.1	Very high	170 Å²	170	43.3 Å²	43.3	79%	0.794	25%	0.254	S	S	*	.			trans	-120.8	123.7	175.3	-61.5	-65.1	-39.2	0	0	108
596	G	94.8	Very high	97.1	Very high	49 Å²	49	44.3 Å²	44.3	51%	0.505	26%	0.261	S	S	.	.	S	Bend	trans	141.9	-173.4	-180	0	0	0	0	0	112.6	L598	G596-L598 PolarHBondContact O-N 3.04Å
597	P	95.7	Very high	97.1	Very high	61 Å²	61	46.7 Å²	46.7	40%	0.396	27%	0.271	S	S	.	.			trans	-61.4	130.1	178.7	-21.3	33.1	0	0	0	111.4	F594 H599 Q600	F594-P597 WeakPolarHBondContact CE1-O 3.38Å; P597-H599 WeakPolarHBondContact CB-CE1 3.45Å; P597-H599 PolarHBondContact O-N 3.5Å; P597-H599 VanDerWaalsContact O-N 3.08Å; P597-Q600 HydrophobicContact CB-CG 4.3Å; P597-Q600 WeakPolarHBondContact O-CB 3.49Å; P597-Q600 PolarHBondContact O-N 3.39Å
598	L	97.5	Very high	97.1	Very high	7 Å²	7	49 Å²	49	4%	0.037	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-53.8	-36.3	-173.3	-178.3	58.1	0	0	0	113.5	L585 K586 C589 G596 Q600 C601 E645 Y646	L585-L598 HydrophobicContact CD2-CD1 4.42Å; L585-L598 HydrophobicContact CD2-CG 4.42Å; L585-L598 HydrophobicContact CG-CD1 4.14Å; K586-L598 HydrophobicContact CB-CD1 4.08Å; K586-L598 HydrophobicContact CB-CD2 3.96Å; C589-L598 HydrophobicContact CB-CD1 4.14Å; G596-L598 PolarHBondContact O-N 3.04Å; L598-Q600 PolarHBondContact O-N 2.97Å; L598-Q600 VanDerWaalsContact O-N 3.14Å; L598-C601 VanDerWaalsContact O-CB 3.3Å; L598-C601 WeakPolarHBondContact O-CB 3.27Å; L598-C601 PolarHBondContact O-N 3.23Å; L598-E645 HydrophobicContact CB-CG 4.4Å; L598-Y646 HydrophobicContact CG-CD2 4.2Å
599	H	94.7	Very high	97.1	Very high	27 Å²	27	49 Å²	49	13%	0.125	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-68.2	-6.7	178.5	66.8	-92.5	0	0	0	115.2	M498 P597 Y646	M498-H599 HydrophobicContact CE-CB 3.57Å; M498-H599 WeakPolarHBondContact CE-ND1 3.46Å; P597-H599 WeakPolarHBondContact CB-CE1 3.45Å; P597-H599 PolarHBondContact O-N 3.5Å; P597-H599 VanDerWaalsContact O-N 3.08Å; H599-Y646 VanDerWaalsContact CA-CE2 3.42Å; H599-Y646 HydrophobicContact CB-CD1 4.27Å; H599-Y646 HydrophobicContact CB-CD2 3.87Å; H599-Y646 HydrophobicContact CB-CE1 3.98Å; H599-Y646 HydrophobicContact CB-CE2 3.58Å; H599-Y646 HydrophobicContact CB-CG 4.2Å
600	Q	95	Very high	97.1	Very high	91 Å²	91	48.8 Å²	48.8	43%	0.425	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-102.6	-6.5	176.6	-59.7	-178.9	-1	0	0	112.8	F594 P597 L598 S602	F594-Q600 HydrophobicContact CZ-CB 4.02Å; P597-Q600 HydrophobicContact CB-CG 4.3Å; P597-Q600 WeakPolarHBondContact O-CB 3.49Å; P597-Q600 PolarHBondContact O-N 3.39Å; L598-Q600 PolarHBondContact O-N 2.97Å; L598-Q600 VanDerWaalsContact O-N 3.14Å; Q600-S602 PolarHBondContact O-N 3.34Å
601	C	97.4	Very high	97.1	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.007	28%	0.281	C	S	.	.			trans	-67.1	124.4	-177.7	173	0	0	0	0	111.5	C589 F594 L598	C589-C601 VanDerWaalsContact CA-SG 3.55Å; C589-C601 HydrophobicContact CB-CB 3.92Å; C589-C601 WeakPolarHBondContact CB-SG 3.43Å; C589-C601 WeakPolarHBondContact SG-CB 3.25Å; C589-C601 CovalentContact SG-SG 2.01Å; C589-C601 PolarHBondContact SG-SG 3.27Å; F594-C601 HydrophobicContact CD1-CB 3.58Å; F594-C601 HydrophobicContact CE1-CB 3.74Å; F594-C601 HydrophobicContact CG-CB 4.02Å; F594-C601 HydrophobicContact CZ-CB 4.32Å; L598-C601 VanDerWaalsContact O-CB 3.3Å; L598-C601 WeakPolarHBondContact O-CB 3.27Å; L598-C601 PolarHBondContact O-N 3.23Å
602	S	97	Very high	97.1	Very high	17 Å²	17	46.7 Å²	46.7	12%	0.119	28%	0.278	C	S	.	.			trans	-110.8	135.6	166.2	-170.4	0	0	0	0	109.9	S471 Q600 Y604	S471-S602 PolarHBondContact O-OG 3.28Å; Q600-S602 PolarHBondContact O-N 3.34Å; S602-Y604 VanDerWaalsContact C-N 3.35Å
603	L	98.3	Very high	97.1	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.264	C	S	.	.			trans	-87	-10	178.4	-58.8	175.4	0	0	0	112.3	F374 L378 L468 L585 L588 A592 G605 S606 V609	F374-L603 HydrophobicContact CZ-CB 4.31Å; L378-L603 HydrophobicContact CD2-CB 4.39Å; L378-L603 WeakPolarHBondContact CD2-O 3.35Å; L468-L603 HydrophobicContact CD2-CD1 3.88Å; L585-L603 HydrophobicContact CD1-CD1 4.49Å; L588-L603 HydrophobicContact CB-CD1 3.93Å; L588-L603 HydrophobicContact CB-CD2 3.75Å; L588-L603 HydrophobicContact CD1-CD1 3.85Å; A592-L603 HydrophobicContact CB-CD2 4.42Å; L603-G605 PolarHBondContact O-N 3.34Å; L603-S606 WeakPolarHBondContact O-CB 3.42Å; L603-S606 PolarHBondContact O-N 3.41Å; L603-S606 VanDerWaalsContact O-N 3.11Å; L603-V609 HydrophobicContact CB-CG1 4.34Å; L603-V609 HydrophobicContact CD1-CG1 4.31Å; L603-V609 HydrophobicContact CD2-CG1 4.38Å; L603-V609 HydrophobicContact CD2-CG2 4.13Å
604	Y	97.6	Very high	97.1	Very high	77 Å²	77	45.7 Å²	45.7	30%	0.302	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	129.9	-173.4	-176.2	-105.6	0	0	0	112.8	F374 S377 F477 N480 T481 S602 S606	F374-Y604 AromaticContact CD2-CD2 3.94Å; F374-Y604 HydrophobicContact CD2-CD2 3.94Å; S377-Y604 WeakPolarHBondContact OG-CD2 3.31Å; S377-Y604 WeakPolarHBondContact OG-CE2 3.36Å; F477-Y604 HydrophobicContact CD2-CD2 4.23Å; F477-Y604 HydrophobicContact CD2-CG 4.13Å; F477-Y604 AromaticContact CE2-CD2 3.83Å; F477-Y604 HydrophobicContact CE2-CD2 3.83Å; F477-Y604 HydrophobicContact CE2-CE2 4.41Å; F477-Y604 HydrophobicContact CE2-CG 4.19Å; N480-Y604 HydrophobicContact CB-CD1 4.13Å; N480-Y604 HydrophobicContact CB-CE1 4.34Å; T481-Y604 HydrophobicContact CG2-CE1 4.24Å; T481-Y604 HydrophobicContact CG2-CE2 4.2Å; S602-Y604 VanDerWaalsContact C-N 3.35Å; Y604-S606 VanDerWaalsContact C-N 3.3Å; Y604-S606 PolarHBondContact O-N 2.95Å
605	G	97	Very high	97.1	Very high	43 Å²	43	50 Å²	50	44%	0.443	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	-6.3	-179.8	0	0	0	0	0	116	S377 L603 K607	S377-G605 PolarHBondContact OG-N 3.17Å; L603-G605 PolarHBondContact O-N 3.34Å; G605-K607 PolarHBondContact O-N 3.04Å
606	S	98.1	Very high	97.2	Very high	22 Å²	22	42 Å²	42	15%	0.154	23%	0.229	C	C	.	.			trans	-80.2	100.1	-179.5	-177.3	0	0	0	0	112.5	L378 L603 Y604 A608 V609 G610	L378-S606 WeakPolarHBondContact CD2-O 3.16Å; L603-S606 WeakPolarHBondContact O-CB 3.42Å; L603-S606 PolarHBondContact O-N 3.41Å; L603-S606 VanDerWaalsContact O-N 3.11Å; Y604-S606 VanDerWaalsContact C-N 3.3Å; Y604-S606 PolarHBondContact O-N 2.95Å; S606-A608 VanDerWaalsContact C-N 3.3Å; S606-A608 PolarHBondContact O-N 3.37Å; S606-V609 PolarHBondContact O-N 2.92Å; S606-V609 WeakPolarHBondContact OG-CG2 3.45Å; S606-V609 PolarHBondContact OG-N 3.18Å; S606-G610 PolarHBondContact O-N 3.39Å; S606-G610 VanDerWaalsContact O-N 3.13Å
607	K	98.1	Very high	97.3	Very high	108 Å²	108	39.7 Å²	39.7	47%	0.47	21%	0.205	S	C	.	.	H	α-helix	trans	-63.3	-35.3	175.6	-60.8	-57.1	-174.6	-171.9	0	112.9	T376 S377 L378 G605 V609 G610 D611	T376-K607 PolarHBondContact O-NZ 3.02Å; S377-K607 WeakPolarHBondContact O-CD 3.48Å; S377-K607 WeakPolarHBondContact O-CE 3.42Å; S377-K607 PolarHBondContact O-NZ 2.89Å; L378-K607 WeakPolarHBondContact O-CA 3.2Å; L378-K607 WeakPolarHBondContact O-CD 3.31Å; G605-K607 PolarHBondContact O-N 3.04Å; K607-V609 VanDerWaalsContact C-N 3.31Å; K607-V609 PolarHBondContact O-N 3.09Å; K607-G610 PolarHBondContact O-N 3.13Å; K607-G610 VanDerWaalsContact O-N 3.17Å; K607-D611 PolarHBondContact O-N 2.8Å
608	A	98.4	Very high	97.4	Very high	51 Å²	51	38.8 Å²	38.8	42%	0.421	20%	0.2	S	C	.	.	H	α-helix	trans	-60.7	-40.8	176.3	0	0	0	0	0	111.9	T591 S606 K612	T591-A608 HydrophobicContact CG2-CB 4.18Å; S606-A608 VanDerWaalsContact C-N 3.3Å; S606-A608 PolarHBondContact O-N 3.37Å; A608-K612 PolarHBondContact O-N 3.45Å; A608-K612 VanDerWaalsContact O-N 3.15Å
609	V	98.6	Very high	97.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.3	-46.2	173.3	165.6	0	0	0	0	111	L378 L588 T591 A592 L603 S606 K607 D611 K612 L613	L378-V609 HydrophobicContact CD2-CB 4.5Å; L378-V609 HydrophobicContact CD2-CG1 4.24Å; L588-V609 HydrophobicContact CB-CG1 4.4Å; L588-V609 HydrophobicContact CB-CG2 4.49Å; L588-V609 HydrophobicContact CD2-CG1 4.25Å; L588-V609 WeakPolarHBondContact O-CG2 3.43Å; T591-V609 HydrophobicContact CG2-CG2 4.13Å; A592-V609 HydrophobicContact CB-CG2 3.87Å; L603-V609 HydrophobicContact CB-CG1 4.34Å; L603-V609 HydrophobicContact CD1-CG1 4.31Å; L603-V609 HydrophobicContact CD2-CG1 4.38Å; L603-V609 HydrophobicContact CD2-CG2 4.13Å; S606-V609 PolarHBondContact O-N 2.92Å; S606-V609 WeakPolarHBondContact OG-CG2 3.45Å; S606-V609 PolarHBondContact OG-N 3.18Å; K607-V609 VanDerWaalsContact C-N 3.31Å; K607-V609 PolarHBondContact O-N 3.09Å; V609-D611 VanDerWaalsContact C-N 3.33Å; V609-D611 PolarHBondContact O-N 3.45Å; V609-K612 WeakPolarHBondContact O-CB 3.49Å; V609-K612 PolarHBondContact O-N 3.11Å; V609-K612 VanDerWaalsContact O-N 3.16Å; V609-L613 HydrophobicContact CG1-CD1 3.74Å; V609-L613 HydrophobicContact CG1-CG 4.24Å; V609-L613 WeakPolarHBondContact O-CG 3.46Å; V609-L613 PolarHBondContact O-N 3.31Å
610	G	98.4	Very high	97.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.9	-39.3	178.1	0	0	0	0	0	113.5	L378 S606 K607 K612 L613 K614	L378-G610 VanDerWaalsContact O-CA 3.31Å; L378-G610 WeakPolarHBondContact O-CA 3.38Å; S606-G610 PolarHBondContact O-N 3.39Å; S606-G610 VanDerWaalsContact O-N 3.13Å; K607-G610 PolarHBondContact O-N 3.13Å; K607-G610 VanDerWaalsContact O-N 3.17Å; G610-K612 VanDerWaalsContact C-N 3.33Å; G610-K612 PolarHBondContact O-N 3.38Å; G610-L613 PolarHBondContact O-N 2.63Å; G610-K614 WeakPolarHBondContact O-CB 3.37Å; G610-K614 VanDerWaalsContact O-CE 3.24Å; G610-K614 WeakPolarHBondContact O-CE 3.39Å; G610-K614 WeakPolarHBondContact O-CG 3.42Å; G610-K614 PolarHBondContact O-N 3.03Å
611	D	98.2	Very high	97.1	Very high	70 Å²	70	35.4 Å²	35.4	37%	0.374	19%	0.187	S	C	.	.	H	α-helix	trans	-65	-37.9	175	-70.5	-18.9	0	0	0	112.2	K607 V609 K614 R615	K607-D611 PolarHBondContact O-N 2.8Å; V609-D611 VanDerWaalsContact C-N 3.33Å; V609-D611 PolarHBondContact O-N 3.45Å; D611-K614 VanDerWaalsContact OD1-CE 3.25Å; D611-K614 WeakPolarHBondContact OD1-CE 3.47Å; D611-K614 IonicContact OD1-NZ 2.97Å; D611-K614 PolarHBondContact OD1-NZ 3.34Å; D611-R615 WeakPolarHBondContact O-CG 3.33Å; D611-R615 PolarHBondContact O-N 2.89Å; D611-R615 VanDerWaalsContact O-N 3.16Å
612	K	97.7	Very high	96.9	Very high	40 Å²	40	36.2 Å²	36.2	17%	0.174	19%	0.192	C	C	.	.	H	α-helix	trans	-65.5	-45.3	174.1	-162.8	-178.8	-125.1	-170	0	111.7	L588 T591 A608 V609 G610 R615 A616 A631 L632	L588-K612 HydrophobicContact CD2-CD 4.14Å; T591-K612 HydrophobicContact CG2-CD 4.13Å; T591-K612 WeakPolarHBondContact OG1-CE 3.17Å; T591-K612 PolarHBondContact OG1-NZ 3Å; A608-K612 PolarHBondContact O-N 3.45Å; A608-K612 VanDerWaalsContact O-N 3.15Å; V609-K612 WeakPolarHBondContact O-CB 3.49Å; V609-K612 PolarHBondContact O-N 3.11Å; V609-K612 VanDerWaalsContact O-N 3.16Å; G610-K612 VanDerWaalsContact C-N 3.33Å; G610-K612 PolarHBondContact O-N 3.38Å; K612-R615 PolarHBondContact O-N 3.38Å; K612-A616 PolarHBondContact O-N 3.49Å; K612-A631 WeakPolarHBondContact CD-O 3.26Å; K612-A631 WeakPolarHBondContact CE-O 3.37Å; K612-A631 VanDerWaalsContact CG-O 3.28Å; K612-A631 WeakPolarHBondContact CG-O 3.34Å; K612-L632 WeakPolarHBondContact CD-O 3.28Å; K612-L632 PolarHBondContact NZ-O 3.05Å
613	L	98.1	Very high	96.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62	-49.3	177.2	-72	168.5	0	0	0	111.8	L378 F380 L464 L468 L588 V609 G610 R615 A616 M617 L632	L378-L613 HydrophobicContact CD1-CD1 3.9Å; F380-L613 HydrophobicContact CE2-CB 4.09Å; F380-L613 HydrophobicContact CE2-CD1 4.28Å; F380-L613 HydrophobicContact CZ-CB 3.8Å; L464-L613 HydrophobicContact CD1-CD2 4.06Å; L464-L613 HydrophobicContact CG-CD2 4.39Å; L468-L613 HydrophobicContact CD2-CD1 3.94Å; L588-L613 HydrophobicContact CD1-CD2 3.88Å; L588-L613 HydrophobicContact CD1-CG 4.48Å; L588-L613 HydrophobicContact CD2-CD2 4.24Å; L588-L613 HydrophobicContact CD2-CG 4.37Å; V609-L613 HydrophobicContact CG1-CD1 3.74Å; V609-L613 HydrophobicContact CG1-CG 4.24Å; V609-L613 WeakPolarHBondContact O-CG 3.46Å; V609-L613 PolarHBondContact O-N 3.31Å; G610-L613 PolarHBondContact O-N 2.63Å; L613-R615 VanDerWaalsContact C-N 3.31Å; L613-R615 PolarHBondContact O-N 2.96Å; L613-A616 PolarHBondContact O-N 2.95Å; L613-M617 HydrophobicContact CD2-CE 4.26Å; L613-M617 VanDerWaalsContact O-CB 3.32Å; L613-M617 WeakPolarHBondContact O-CB 3.44Å; L613-M617 VanDerWaalsContact O-CG 3.26Å; L613-M617 WeakPolarHBondContact O-CG 3.38Å; L613-M617 PolarHBondContact O-N 3.38Å; L613-L632 HydrophobicContact CD2-CD2 4.08Å
614	K	97.5	Very high	96.4	Very high	67 Å²	67	43.1 Å²	43.1	29%	0.291	22%	0.224	S	C	.	.	H	α-helix	trans	-55.3	-46.7	177.6	-77	177.4	-69.3	179.9	0	111.2	G379 F380 G610 D611 S618	G379-K614 PolarHBondContact O-NZ 3.45Å; F380-K614 HydrophobicContact CD1-CD 4.38Å; F380-K614 HydrophobicContact CD1-CG 3.88Å; F380-K614 HydrophobicContact CD2-CG 4.49Å; F380-K614 HydrophobicContact CE1-CD 4.46Å; F380-K614 HydrophobicContact CE1-CG 3.5Å; F380-K614 VanDerWaalsContact CE1-CG 3.5Å; F380-K614 HydrophobicContact CE2-CG 4.16Å; F380-K614 HydrophobicContact CG-CG 4.37Å; F380-K614 HydrophobicContact CZ-CG 3.65Å; G610-K614 WeakPolarHBondContact O-CB 3.37Å; G610-K614 VanDerWaalsContact O-CE 3.24Å; G610-K614 WeakPolarHBondContact O-CE 3.39Å; G610-K614 WeakPolarHBondContact O-CG 3.42Å; G610-K614 PolarHBondContact O-N 3.03Å; D611-K614 VanDerWaalsContact OD1-CE 3.25Å; D611-K614 WeakPolarHBondContact OD1-CE 3.47Å; D611-K614 IonicContact OD1-NZ 2.97Å; D611-K614 PolarHBondContact OD1-NZ 3.34Å; K614-S618 WeakPolarHBondContact O-CB 3.45Å; K614-S618 PolarHBondContact O-N 3.46Å; K614-S618 PolarHBondContact O-OG 3.05Å
615	R	96.7	Very high	96.2	Very high	150 Å²	150	40.1 Å²	40.1	57%	0.566	21%	0.212	S	C	*	.	H	α-helix	trans	-59.3	-54.1	176.1	-74.7	-171.4	-61.4	-96.1	1	111.6	D611 K612 L613 S618	D611-R615 WeakPolarHBondContact O-CG 3.33Å; D611-R615 PolarHBondContact O-N 2.89Å; D611-R615 VanDerWaalsContact O-N 3.16Å; K612-R615 PolarHBondContact O-N 3.38Å; L613-R615 VanDerWaalsContact C-N 3.31Å; L613-R615 PolarHBondContact O-N 2.96Å; R615-S618 PolarHBondContact O-N 2.93Å; R615-S618 PolarHBondContact O-OG 3.16Å
616	A	97.1	Very high	96.1	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-63	-45.7	-177.5	0	0	0	0	0	112.9	K612 L613 S618 L619 V628 L632	K612-A616 PolarHBondContact O-N 3.49Å; L613-A616 PolarHBondContact O-N 2.95Å; A616-S618 PolarHBondContact O-N 3.44Å; A616-L619 WeakPolarHBondContact O-CB 2.98Å; A616-L619 PolarHBondContact O-N 3.25Å; A616-V628 HydrophobicContact CB-CG1 4.21Å; A616-L632 HydrophobicContact CB-CD1 4.29Å; A616-L632 HydrophobicContact CB-CD2 3.56Å; A616-L632 HydrophobicContact CB-CG 3.75Å
617	M	97	Very high	95.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.9	-37.6	179.9	-68.5	173.3	169.7	0	0	112.2	F380 Y441 S444 L464 L468 L613 L619 G620	F380-M617 HydrophobicContact CE1-SD 4.05Å; F380-M617 HydrophobicContact CZ-SD 3.93Å; Y441-M617 HydrophobicContact CD1-CB 3.7Å; Y441-M617 HydrophobicContact CD1-CG 3.87Å; Y441-M617 HydrophobicContact CD2-CE 4.45Å; Y441-M617 HydrophobicContact CD2-CG 4.13Å; Y441-M617 VanDerWaalsContact CE1-CA 3.5Å; Y441-M617 HydrophobicContact CE1-CB 3.83Å; Y441-M617 HydrophobicContact CE1-CG 4.05Å; Y441-M617 WeakPolarHBondContact CE1-O 3.45Å; Y441-M617 HydrophobicContact CE2-CG 4.29Å; Y441-M617 HydrophobicContact CG-CB 4.23Å; Y441-M617 HydrophobicContact CG-CG 3.91Å; Y441-M617 HydrophobicContact CG-SD 4.44Å; S444-M617 VanDerWaalsContact CB-CB 3.47Å; L464-M617 HydrophobicContact CD1-CE 3.9Å; L464-M617 HydrophobicContact CD1-CG 4.26Å; L464-M617 HydrophobicContact CD2-CE 3.21Å; L464-M617 HydrophobicContact CG-CE 4.19Å; L468-M617 HydrophobicContact CD1-CE 4.46Å; L613-M617 HydrophobicContact CD2-CE 4.26Å; L613-M617 VanDerWaalsContact O-CB 3.32Å; L613-M617 WeakPolarHBondContact O-CB 3.44Å; L613-M617 VanDerWaalsContact O-CG 3.26Å; L613-M617 WeakPolarHBondContact O-CG 3.38Å; L613-M617 PolarHBondContact O-N 3.38Å; M617-L619 PolarHBondContact O-N 3.27Å; M617-L619 VanDerWaalsContact O-N 3.15Å; M617-G620 PolarHBondContact O-N 3.01Å; M617-G620 VanDerWaalsContact O-N 3.09Å
618	S	96.7	Very high	95.8	Very high	42 Å²	42	39.1 Å²	39.1	29%	0.294	20%	0.195	S	C	.	.	H	α-helix	trans	-64	-18	-179.5	71.6	0	0	0	0	114.3	S444 Q448 K614 R615 A616 G620	S444-S618 WeakPolarHBondContact O-CA 3.18Å; S444-S618 WeakPolarHBondContact O-CB 3.34Å; Q448-S618 WeakPolarHBondContact CG-O 3.36Å; Q448-S618 PolarHBondContact NE2-O 3.43Å; K614-S618 WeakPolarHBondContact O-CB 3.45Å; K614-S618 PolarHBondContact O-N 3.46Å; K614-S618 PolarHBondContact O-OG 3.05Å; R615-S618 PolarHBondContact O-N 2.93Å; R615-S618 PolarHBondContact O-OG 3.16Å; A616-S618 PolarHBondContact O-N 3.44Å; S618-G620 PolarHBondContact O-N 3.38Å
619	L	96.2	Very high	95.7	Very high	45 Å²	45	36.7 Å²	36.7	24%	0.236	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-22.8	175.5	-63.3	172	0	0	0	111.9	A616 M617 S621 S622 R623 V628	A616-L619 WeakPolarHBondContact O-CB 2.98Å; A616-L619 PolarHBondContact O-N 3.25Å; M617-L619 PolarHBondContact O-N 3.27Å; M617-L619 VanDerWaalsContact O-N 3.15Å; L619-S621 PolarHBondContact O-N 2.56Å; L619-S622 WeakPolarHBondContact O-CB 3.34Å; L619-S622 PolarHBondContact O-N 2.91Å; L619-S622 PolarHBondContact O-OG 3.41Å; L619-R623 HydrophobicContact CD1-CG 4.23Å; L619-R623 HydrophobicContact CD2-CG 4.01Å; L619-R623 HydrophobicContact CG-CG 4.48Å; L619-V628 HydrophobicContact CB-CG2 4.39Å; L619-V628 HydrophobicContact CD1-CG2 3.88Å
620	G	93.7	Very high	95.6	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	-131.4	-173.4	0	0	0	0	0	110.9	E454 V456 M617 S618	E454-G620 CarbonylContact O-C 3.56Å; E454-G620 WeakPolarHBondContact O-CA 3.36Å; V456-G620 WeakPolarHBondContact CG1-O 3.41Å; M617-G620 PolarHBondContact O-N 3.01Å; M617-G620 VanDerWaalsContact O-N 3.09Å; S618-G620 PolarHBondContact O-N 3.38Å
621	S	91.8	Very high	95.5	Very high	9 Å²	9	41.1 Å²	41.1	6%	0.063	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	17.1	174.2	80.5	0	0	0	0	113.1	K145 K149 L452 E454 L619 R623	K145-S621 WeakPolarHBondContact CE-O 3.46Å; K145-S621 PolarHBondContact NZ-O 2.98Å; K149-S621 PolarHBondContact NZ-OG 2.77Å; L452-S621 WeakPolarHBondContact CA-OG 3.38Å; L452-S621 WeakPolarHBondContact CD2-OG 3.25Å; L452-S621 PolarHBondContact O-N 2.95Å; E454-S621 PolarHBondContact O-N 2.91Å; L619-S621 PolarHBondContact O-N 2.56Å; S621-R623 VanDerWaalsContact C-N 3.33Å; S621-R623 PolarHBondContact O-N 3.24Å
622	S	93.1	Very high	95.5	Very high	18 Å²	18	37.8 Å²	37.8	13%	0.126	19%	0.19	C	C	.	.	S	Bend	trans	-71.9	-24.5	-175.7	69.8	0	0	0	0	113.4	K145 L619	K145-S622 PolarHBondContact NZ-O 3.39Å; L619-S622 WeakPolarHBondContact O-CB 3.34Å; L619-S622 PolarHBondContact O-N 2.91Å; L619-S622 PolarHBondContact O-OG 3.41Å
623	R	92.5	Very high	95.5	Very high	103 Å²	103	36.7 Å²	36.7	39%	0.389	19%	0.187	S	C	.	.	S	Bend	trans	-114.6	158.9	177.6	-61.9	-61.6	-178.8	169.2	-6	112.4	V456 L619 S621 E627 V628	V456-R623 WeakPolarHBondContact CG1-O 3.22Å; L619-R623 HydrophobicContact CD1-CG 4.23Å; L619-R623 HydrophobicContact CD2-CG 4.01Å; L619-R623 HydrophobicContact CG-CG 4.48Å; S621-R623 VanDerWaalsContact C-N 3.33Å; S621-R623 PolarHBondContact O-N 3.24Å; R623-E627 HydrophobicContact CB-CB 4.34Å; R623-E627 WeakPolarHBondContact CD-OE2 3.45Å; R623-V628 HydrophobicContact CB-CG2 4.34Å
624	P	92.2	Very high	95.4	Very high	59 Å²	59	39.8 Å²	39.8	38%	0.383	22%	0.219	S	C	.	.			trans	-56.6	149.2	167.2	-20.9	32.8	0	0	0	111.3	Q626 E627 V628	P624-Q626 PolarHBondContact O-N 3.18Å; P624-E627 VanDerWaalsContact CD-OE1 3.27Å; P624-E627 WeakPolarHBondContact CD-OE1 3.46Å; P624-E627 PolarHBondContact O-N 2.97Å; P624-V628 PolarHBondContact O-N 3.36Å
625	W	93.2	Very high	95.3	Very high	15 Å²	15	38.9 Å²	38.9	6%	0.057	22%	0.221	C	C	.	.	H	α-helix	trans	-65.2	-29.2	-176.2	69.6	-91.5	0	0	0	112.5	Y258 M267 V456 M460 E627 V628 L629 L638	Y258-W625 VanDerWaalsContact O-CD1 3.24Å; Y258-W625 PolarHBondContact O-NE1 3.16Å; M267-W625 HydrophobicContact CE-CH2 4.3Å; M267-W625 HydrophobicContact CE-CZ2 3.78Å; V456-W625 HydrophobicContact CB-CB 3.89Å; V456-W625 HydrophobicContact CG2-CB 3.63Å; M460-W625 HydrophobicContact CG-CB 4.32Å; W625-E627 VanDerWaalsContact C-N 3.32Å; W625-E627 PolarHBondContact O-N 2.88Å; W625-V628 PolarHBondContact O-N 3.05Å; W625-L629 HydrophobicContact CE3-CB 4.45Å; W625-L629 HydrophobicContact CE3-CD2 4.29Å; W625-L629 HydrophobicContact CZ3-CD2 3.69Å; W625-L629 WeakPolarHBondContact O-CB 3.49Å; W625-L629 PolarHBondContact O-N 2.81Å; W625-L638 HydrophobicContact CH2-CB 4.37Å
626	Q	94.7	Very high	95.1	Very high	59 Å²	59	34.8 Å²	34.8	28%	0.276	22%	0.216	S	C	.	.	H	α-helix	trans	-63.3	-36.7	176.3	-59.6	90.2	-23.1	0	0	112.2	P624 S630	P624-Q626 PolarHBondContact O-N 3.18Å; Q626-S630 WeakPolarHBondContact O-CB 3.23Å; Q626-S630 PolarHBondContact O-N 3.46Å
627	E	95	Very high	95	Very high	92 Å²	92	40.6 Å²	40.6	43%	0.43	24%	0.243	S	C	.	.	H	α-helix	trans	-68.8	-40.7	175.7	-71.4	-176.9	-141.8	0	0	111	R623 P624 W625 S630 A631	R623-E627 HydrophobicContact CB-CB 4.34Å; R623-E627 WeakPolarHBondContact CD-OE2 3.45Å; P624-E627 VanDerWaalsContact CD-OE1 3.27Å; P624-E627 WeakPolarHBondContact CD-OE1 3.46Å; P624-E627 PolarHBondContact O-N 2.97Å; W625-E627 VanDerWaalsContact C-N 3.32Å; W625-E627 PolarHBondContact O-N 2.88Å; E627-S630 PolarHBondContact O-N 3.07Å; E627-A631 WeakPolarHBondContact O-CB 3.33Å; E627-A631 PolarHBondContact O-N 3.43Å
628	V	95.7	Very high	94.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-67.8	-39.3	176.8	-178.8	0	0	0	0	111.1	V456 M460 A616 L619 R623 P624 W625 A631 L632	V456-V628 HydrophobicContact CG1-CB 4.18Å; V456-V628 HydrophobicContact CG1-CG2 3.48Å; V456-V628 VanDerWaalsContact CG1-CG2 3.48Å; M460-V628 HydrophobicContact CE-CB 4.23Å; M460-V628 HydrophobicContact CE-CG1 3.9Å; A616-V628 HydrophobicContact CB-CG1 4.21Å; L619-V628 HydrophobicContact CB-CG2 4.39Å; L619-V628 HydrophobicContact CD1-CG2 3.88Å; R623-V628 HydrophobicContact CB-CG2 4.34Å; P624-V628 PolarHBondContact O-N 3.36Å; W625-V628 PolarHBondContact O-N 3.05Å; V628-A631 PolarHBondContact O-N 3.16Å; V628-L632 HydrophobicContact CG1-CD1 4.37Å; V628-L632 WeakPolarHBondContact O-CG 3.37Å; V628-L632 PolarHBondContact O-N 2.9Å; V628-L632 VanDerWaalsContact O-N 3.15Å
629	L	96.4	Very high	94.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-48	173.3	-176.9	61	0	0	0	110.9	M460 L580 I584 W625 A631 L632 T633 S635	M460-L629 HydrophobicContact CE-CB 4.11Å; M460-L629 HydrophobicContact CE-CD1 4.4Å; M460-L629 HydrophobicContact SD-CB 4.45Å; M460-L629 HydrophobicContact SD-CD1 4.29Å; L580-L629 HydrophobicContact CD2-CD1 3.66Å; L580-L629 HydrophobicContact CD2-CD2 3.82Å; L580-L629 HydrophobicContact CD2-CG 4.41Å; I584-L629 HydrophobicContact CG1-CD1 4.23Å; W625-L629 HydrophobicContact CE3-CB 4.45Å; W625-L629 HydrophobicContact CE3-CD2 4.29Å; W625-L629 HydrophobicContact CZ3-CD2 3.69Å; W625-L629 WeakPolarHBondContact O-CB 3.49Å; W625-L629 PolarHBondContact O-N 2.81Å; L629-A631 VanDerWaalsContact C-N 3.3Å; L629-A631 PolarHBondContact O-N 2.98Å; L629-L632 CarbonylContact O-C 3.39Å; L629-L632 WeakPolarHBondContact O-CA 3.37Å; L629-L632 PolarHBondContact O-N 2.92Å; L629-T633 HydrophobicContact CD1-CG2 3.76Å; L629-T633 PolarHBondContact O-N 3.33Å; L629-T633 PolarHBondContact O-OG1 3.35Å; L629-S635 CarbonylContact C-O 3.13Å; L629-S635 WeakPolarHBondContact CG-O 3.4Å
630	S	96.9	Very high	94.9	Very high	50 Å²	50	38.9 Å²	38.9	35%	0.35	23%	0.233	S	C	.	.	H	α-helix	trans	-60.7	-39.2	176.8	-175.6	0	0	0	0	112.2	Q626 E627 L632 T633 G634 S635	Q626-S630 WeakPolarHBondContact O-CB 3.23Å; Q626-S630 PolarHBondContact O-N 3.46Å; E627-S630 PolarHBondContact O-N 3.07Å; S630-L632 PolarHBondContact O-N 3.24Å; S630-T633 PolarHBondContact O-N 3.06Å; S630-G634 VanDerWaalsContact O-CA 3.28Å; S630-G634 WeakPolarHBondContact O-CA 3.23Å; S630-G634 PolarHBondContact O-N 2.96Å; S630-S635 WeakPolarHBondContact CA-O 3.39Å; S630-S635 PolarHBondContact N-O 3.43Å; S630-S635 VanDerWaalsContact N-O 3.15Å
631	A	96.3	Very high	95.1	Very high	43 Å²	43	41.6 Å²	41.6	36%	0.355	26%	0.255	S	S	.	.	H	α-helix	trans	-61.7	-30.7	174.5	0	0	0	0	0	112.9	K612 E627 V628 L629	K612-A631 WeakPolarHBondContact CD-O 3.26Å; K612-A631 WeakPolarHBondContact CE-O 3.37Å; K612-A631 VanDerWaalsContact CG-O 3.28Å; K612-A631 WeakPolarHBondContact CG-O 3.34Å; E627-A631 WeakPolarHBondContact O-CB 3.33Å; E627-A631 PolarHBondContact O-N 3.43Å; V628-A631 PolarHBondContact O-N 3.16Å; L629-A631 VanDerWaalsContact C-N 3.3Å; L629-A631 PolarHBondContact O-N 2.98Å
632	L	97.3	Very high	95.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-85	-43	177.6	-68.8	168	0	0	0	112	M460 L464 I584 L588 K612 L613 A616 V628 L629 S630	M460-L632 HydrophobicContact CE-CD1 4.1Å; L464-L632 HydrophobicContact CD1-CD1 4.08Å; I584-L632 HydrophobicContact CD1-CD1 4.3Å; I584-L632 HydrophobicContact CG1-CD1 4.37Å; I584-L632 HydrophobicContact CG2-CD1 4.49Å; L588-L632 HydrophobicContact CD2-CD2 4.19Å; K612-L632 WeakPolarHBondContact CD-O 3.28Å; K612-L632 PolarHBondContact NZ-O 3.05Å; L613-L632 HydrophobicContact CD2-CD2 4.08Å; A616-L632 HydrophobicContact CB-CD1 4.29Å; A616-L632 HydrophobicContact CB-CD2 3.56Å; A616-L632 HydrophobicContact CB-CG 3.75Å; V628-L632 HydrophobicContact CG1-CD1 4.37Å; V628-L632 WeakPolarHBondContact O-CG 3.37Å; V628-L632 PolarHBondContact O-N 2.9Å; V628-L632 VanDerWaalsContact O-N 3.15Å; L629-L632 CarbonylContact O-C 3.39Å; L629-L632 WeakPolarHBondContact O-CA 3.37Å; L629-L632 PolarHBondContact O-N 2.92Å; S630-L632 PolarHBondContact O-N 3.24Å
633	T	97	Very high	95.6	Very high	18 Å²	18	40.8 Å²	40.8	11%	0.11	25%	0.249	C	C	.	.	H	α-helix	trans	-120.7	-5.8	-163.6	80.4	0	0	0	0	115.1	Q583 I584 L629 S630 S635	Q583-T633 HydrophobicContact CG-CG2 4.16Å; Q583-T633 WeakPolarHBondContact O-CG2 3.47Å; I584-T633 HydrophobicContact CG1-CG2 4.22Å; L629-T633 HydrophobicContact CD1-CG2 3.76Å; L629-T633 PolarHBondContact O-N 3.33Å; L629-T633 PolarHBondContact O-OG1 3.35Å; S630-T633 PolarHBondContact O-N 3.06Å; T633-S635 PolarHBondContact O-N 3.12Å; T633-S635 PolarHBondContact OG1-N 3.04Å; T633-S635 PolarHBondContact OG1-O 2.98Å
634	G	95.6	Very high	95.9	Very high	64 Å²	64	38 Å²	38	66%	0.66	24%	0.244	S	C	*	.	S	Bend	trans	74	4.6	-174.2	0	0	0	0	0	114.8	S630	S630-G634 VanDerWaalsContact O-CA 3.28Å; S630-G634 WeakPolarHBondContact O-CA 3.23Å; S630-G634 PolarHBondContact O-N 2.96Å
635	S	95.5	Very high	96.1	Very high	48 Å²	48	38.9 Å²	38.9	34%	0.336	24%	0.243	S	C	.	.			trans	-130.6	139.6	177.5	177.5	0	0	0	0	110.4	L629 S630 T633 E637	L629-S635 CarbonylContact C-O 3.13Å; L629-S635 WeakPolarHBondContact CG-O 3.4Å; S630-S635 WeakPolarHBondContact CA-O 3.39Å; S630-S635 PolarHBondContact N-O 3.43Å; S630-S635 VanDerWaalsContact N-O 3.15Å; T633-S635 PolarHBondContact O-N 3.12Å; T633-S635 PolarHBondContact OG1-N 3.04Å; T633-S635 PolarHBondContact OG1-O 2.98Å; S635-E637 PolarHBondContact OG-N 2.8Å; S635-E637 VanDerWaalsContact OG-N 3.13Å; S635-E637 PolarHBondContact OG-O 2.82Å
636	S	94.3	Very high	96.4	Very high	65 Å²	65	39 Å²	39	46%	0.455	24%	0.244	S	C	.	.	S	Bend	trans	-88.7	-10	171.8	49.1	0	0	0	0	113.4
637	E	93.6	Very high	96.5	Very high	123 Å²	123	36.2 Å²	36.2	58%	0.575	23%	0.23	S	C	*	.	S	Bend	trans	-95.1	141.6	-177.2	-65.8	-168.6	-168.6	0	0	111.8	K270 Q583 S635	K270-E637 IonicContact NZ-OE2 3.43Å; Q583-E637 PolarHBondContact NE2-O 2.85Å; Q583-E637 PolarHBondContact OE1-O 3.08Å; S635-E637 PolarHBondContact OG-N 2.8Å; S635-E637 VanDerWaalsContact OG-N 3.13Å; S635-E637 PolarHBondContact OG-O 2.82Å
638	L	94.7	Very high	96.6	Very high	13 Å²	13	35.3 Å²	35.3	7%	0.068	23%	0.226	C	C	.	.			trans	-76.8	132.7	170.6	-179.9	61.2	0	0	0	110.4	M267 L271 V576 V579 L580 W625	M267-L638 HydrophobicContact CG-CD2 4.1Å; M267-L638 HydrophobicContact SD-CD2 4.07Å; L271-L638 HydrophobicContact CD1-CD2 3.67Å; L271-L638 HydrophobicContact CD2-CD1 4.45Å; L271-L638 HydrophobicContact CD2-CD2 3.65Å; L271-L638 HydrophobicContact CD2-CG 3.72Å; L271-L638 HydrophobicContact CG-CD2 3.9Å; L271-L638 HydrophobicContact CG-CG 4.49Å; V576-L638 HydrophobicContact CG1-CD2 4.05Å; V576-L638 HydrophobicContact CG2-CD2 4.44Å; V579-L638 HydrophobicContact CG1-CD1 3.97Å; L580-L638 HydrophobicContact CD1-CD1 4.39Å; L580-L638 HydrophobicContact CD2-CD1 3.34Å; L580-L638 HydrophobicContact CG-CD1 3.44Å; L580-L638 VanDerWaalsContact CG-CD1 3.44Å; W625-L638 HydrophobicContact CH2-CB 4.37Å
639	S	95.5	Very high	96.6	Very high	35 Å²	35	37.2 Å²	37.2	25%	0.245	24%	0.239	C	C	.	.			trans	-145.6	141.9	-179.1	-177.7	0	0	0	0	113.4	V579 A641 P642	V579-S639 VanDerWaalsContact CG1-O 3.29Å; V579-S639 WeakPolarHBondContact CG1-O 3.48Å; S639-A641 WeakPolarHBondContact OG-CB 2.98Å; S639-A641 PolarHBondContact OG-N 2.89Å; S639-P642 WeakPolarHBondContact O-CD 3.24Å
640	V	97.4	Very high	96.7	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.012	24%	0.239	C	C	.	.	S	Bend	trans	-81.7	-12.9	173	-176.3	0	0	0	0	112.5	L271 E274 V275 V579 M643 V644	L271-V640 HydrophobicContact CD2-CG2 3.77Å; E274-V640 HydrophobicContact CB-CB 3.78Å; E274-V640 HydrophobicContact CB-CG2 3.62Å; E274-V640 PolarHBondContact OE2-N 3.34Å; V275-V640 HydrophobicContact CB-CG1 4.02Å; V275-V640 HydrophobicContact CG2-CG1 4.09Å; V579-V640 HydrophobicContact CG1-CB 4.48Å; V579-V640 HydrophobicContact CG1-CG2 3.94Å; V579-V640 HydrophobicContact CG2-CG2 4.18Å; V640-M643 HydrophobicContact CG1-CB 4.23Å; V640-M643 HydrophobicContact CG1-SD 4.38Å; V640-M643 WeakPolarHBondContact O-CA 3.3Å; V640-M643 VanDerWaalsContact O-CB 3.27Å; V640-M643 WeakPolarHBondContact O-CB 3.4Å; V640-M643 PolarHBondContact O-N 3.11Å; V640-V644 HydrophobicContact CG1-CG2 4.19Å; V640-V644 PolarHBondContact O-N 3.38Å; V640-V644 VanDerWaalsContact O-N 3.09Å
641	A	97.6	Very high	96.8	Very high	57 Å²	57	36 Å²	36	47%	0.471	23%	0.228	S	C	.	.	H	α-helix	trans	-54.2	-41.3	-175.3	0	0	0	0	0	114.6	S639 M643 V644 E645	S639-A641 WeakPolarHBondContact OG-CB 2.98Å; S639-A641 PolarHBondContact OG-N 2.89Å; A641-M643 VanDerWaalsContact C-N 3.3Å; A641-M643 PolarHBondContact O-N 2.7Å; A641-V644 PolarHBondContact O-N 3.49Å; A641-E645 PolarHBondContact O-N 3.1Å
642	P	98.3	Very high	96.9	Very high	10 Å²	10	39.6 Å²	39.6	7%	0.065	24%	0.237	C	C	.	.	H	α-helix	trans	-66.1	-29.6	175.5	-24.5	38.2	0	0	0	113.8	F582 Q583 K586 S639 Y646	F582-P642 HydrophobicContact CB-CB 4.15Å; F582-P642 WeakPolarHBondContact O-CB 3.26Å; Q583-P642 HydrophobicContact CB-CB 4.32Å; Q583-P642 HydrophobicContact CB-CG 3.91Å; Q583-P642 HydrophobicContact CG-CG 4.09Å; K586-P642 HydrophobicContact CB-CB 4.1Å; K586-P642 HydrophobicContact CD-CB 4.03Å; K586-P642 HydrophobicContact CD-CG 4.05Å; S639-P642 WeakPolarHBondContact O-CD 3.24Å; P642-Y646 WeakPolarHBondContact O-CB 2.95Å; P642-Y646 PolarHBondContact O-N 3.49Å
643	M	98.1	Very high	96.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-68.9	-43	173.8	-175.2	-178.8	-165.5	0	0	110.7	M278 Q505 V506 I509 F582 V640 A641 Y646 M647	M278-M643 HydrophobicContact CE-CE 4.29Å; M278-M643 HydrophobicContact CE-CG 4.18Å; M278-M643 HydrophobicContact CE-SD 4.11Å; Q505-M643 HydrophobicContact CB-CE 4.33Å; V506-M643 HydrophobicContact CB-CE 4.35Å; V506-M643 HydrophobicContact CG2-CE 3.28Å; I509-M643 HydrophobicContact CD1-CE 4.3Å; I509-M643 HydrophobicContact CD1-SD 4.21Å; F582-M643 HydrophobicContact CB-CB 4.02Å; F582-M643 HydrophobicContact CD2-CB 3.67Å; F582-M643 HydrophobicContact CD2-CE 4.46Å; F582-M643 HydrophobicContact CD2-CG 3.53Å; F582-M643 HydrophobicContact CD2-SD 4.2Å; F582-M643 HydrophobicContact CE2-CB 4.34Å; F582-M643 HydrophobicContact CE2-CE 3.82Å; F582-M643 HydrophobicContact CE2-CG 3.68Å; F582-M643 HydrophobicContact CE2-SD 4.14Å; F582-M643 HydrophobicContact CG-CB 3.88Å; F582-M643 HydrophobicContact CG-CG 4.06Å; F582-M643 HydrophobicContact CZ-CE 4.46Å; F582-M643 HydrophobicContact CZ-CG 4.31Å; V640-M643 HydrophobicContact CG1-CB 4.23Å; V640-M643 HydrophobicContact CG1-SD 4.38Å; V640-M643 WeakPolarHBondContact O-CA 3.3Å; V640-M643 VanDerWaalsContact O-CB 3.27Å; V640-M643 WeakPolarHBondContact O-CB 3.4Å; V640-M643 PolarHBondContact O-N 3.11Å; A641-M643 VanDerWaalsContact C-N 3.3Å; A641-M643 PolarHBondContact O-N 2.7Å; M643-Y646 PolarHBondContact O-N 2.87Å; M643-M647 HydrophobicContact CE-CE 3.74Å; M643-M647 HydrophobicContact CE-SD 4.44Å; M643-M647 HydrophobicContact CG-CE 4.41Å; M643-M647 WeakPolarHBondContact O-CB 3.15Å; M643-M647 WeakPolarHBondContact O-CG 3.39Å; M643-M647 PolarHBondContact O-N 3.46Å
644	V	97.8	Very high	97	Very high	45 Å²	45	40.8 Å²	40.8	27%	0.273	24%	0.24	S	C	.	.	H	α-helix	trans	-60.3	-47.5	173.5	172.1	0	0	0	0	110.4	V640 A641 Y646 M647 E648 I651	V640-V644 HydrophobicContact CG1-CG2 4.19Å; V640-V644 PolarHBondContact O-N 3.38Å; V640-V644 VanDerWaalsContact O-N 3.09Å; A641-V644 PolarHBondContact O-N 3.49Å; V644-Y646 VanDerWaalsContact C-N 3.34Å; V644-Y646 PolarHBondContact O-N 2.98Å; V644-M647 CarbonylContact O-C 3.47Å; V644-M647 PolarHBondContact O-N 3.4Å; V644-M647 VanDerWaalsContact O-N 3.1Å; V644-E648 PolarHBondContact O-N 2.69Å; V644-I651 HydrophobicContact CB-CD1 4.32Å; V644-I651 HydrophobicContact CG1-CD1 3.76Å
645	E	98	Very high	97.1	Very high	78 Å²	78	40.9 Å²	40.9	36%	0.364	23%	0.228	S	C	.	.	H	α-helix	trans	-59.3	-43	177.4	-176	-176.2	152.7	0	0	112.3	K586 L598 A641 M647 E648	K586-E645 WeakPolarHBondContact CD-OE2 3.32Å; K586-E645 WeakPolarHBondContact CE-OE2 3.5Å; K586-E645 IonicContact NZ-OE2 2.71Å; K586-E645 PolarHBondContact NZ-OE2 3Å; L598-E645 HydrophobicContact CB-CG 4.4Å; A641-E645 PolarHBondContact O-N 3.1Å; E645-M647 VanDerWaalsContact C-N 3.31Å; E645-M647 PolarHBondContact O-N 3.36Å; E645-E648 PolarHBondContact O-N 2.77Å
646	Y	97.9	Very high	97.2	Very high	18 Å²	18	45 Å²	45	7%	0.071	24%	0.239	C	C	.	.	H	α-helix	trans	-60	-44.1	174.9	-175	-79.6	0	0	0	111.2	M498 I501 F582 L585 L598 H599 P642 M643 V644	M498-Y646 HydrophobicContact CE-CE1 4.47Å; M498-Y646 WeakPolarHBondContact CE-O 2.91Å; M498-Y646 HydrophobicContact CG-CE1 4.37Å; I501-Y646 HydrophobicContact CD1-CE1 4Å; F582-Y646 HydrophobicContact CD1-CD1 4.11Å; F582-Y646 AromaticContact CD1-CD2 3.8Å; F582-Y646 HydrophobicContact CD1-CD2 3.8Å; F582-Y646 HydrophobicContact CD1-CE2 4.48Å; F582-Y646 AromaticContact CD1-CG 3.58Å; F582-Y646 HydrophobicContact CD1-CG 3.58Å; F582-Y646 AromaticContact CE1-CD1 3.6Å; F582-Y646 HydrophobicContact CE1-CD1 3.6Å; F582-Y646 AromaticContact CE1-CD2 3.93Å; F582-Y646 HydrophobicContact CE1-CD2 3.93Å; F582-Y646 HydrophobicContact CE1-CE1 4.01Å; F582-Y646 HydrophobicContact CE1-CE2 4.28Å; F582-Y646 AromaticContact CE1-CG 3.58Å; F582-Y646 HydrophobicContact CE1-CG 3.58Å; L585-Y646 HydrophobicContact CD2-CD2 4.01Å; L585-Y646 HydrophobicContact CD2-CE2 3.97Å; L598-Y646 HydrophobicContact CG-CD2 4.2Å; H599-Y646 VanDerWaalsContact CA-CE2 3.42Å; H599-Y646 HydrophobicContact CB-CD1 4.27Å; H599-Y646 HydrophobicContact CB-CD2 3.87Å; H599-Y646 HydrophobicContact CB-CE1 3.98Å; H599-Y646 HydrophobicContact CB-CE2 3.58Å; H599-Y646 HydrophobicContact CB-CG 4.2Å; P642-Y646 WeakPolarHBondContact O-CB 2.95Å; P642-Y646 PolarHBondContact O-N 3.49Å; M643-Y646 PolarHBondContact O-N 2.87Å; V644-Y646 VanDerWaalsContact C-N 3.34Å; V644-Y646 PolarHBondContact O-N 2.98Å
647	M	97	Very high	97.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-90	4.6	-174.8	-64.7	-163.6	-176.9	0	0	114.6	M278 I501 A502 V506 F582 M643 V644 E645 P649 L650 I651	M278-M647 HydrophobicContact CE-SD 4.15Å; M278-M647 HydrophobicContact SD-CB 3.9Å; M278-M647 HydrophobicContact SD-CG 4.28Å; M278-M647 HydrophobicContact SD-SD 3.58Å; I501-M647 HydrophobicContact CB-CE 4.1Å; I501-M647 HydrophobicContact CG2-CE 3.44Å; I501-M647 VanDerWaalsContact CG2-CE 3.44Å; A502-M647 HydrophobicContact CB-SD 4.21Å; V506-M647 HydrophobicContact CG2-CE 3.83Å; V506-M647 HydrophobicContact CG2-SD 3.62Å; F582-M647 HydrophobicContact CZ-CE 3.98Å; M643-M647 HydrophobicContact CE-CE 3.74Å; M643-M647 HydrophobicContact CE-SD 4.44Å; M643-M647 HydrophobicContact CG-CE 4.41Å; M643-M647 WeakPolarHBondContact O-CB 3.15Å; M643-M647 WeakPolarHBondContact O-CG 3.39Å; M643-M647 PolarHBondContact O-N 3.46Å; V644-M647 CarbonylContact O-C 3.47Å; V644-M647 PolarHBondContact O-N 3.4Å; V644-M647 VanDerWaalsContact O-N 3.1Å; E645-M647 VanDerWaalsContact C-N 3.31Å; E645-M647 PolarHBondContact O-N 3.36Å; M647-P649 VanDerWaalsContact C-CD 3.45Å; M647-P649 VanDerWaalsContact C-N 3.34Å; M647-P649 VanDerWaalsContact O-N 3.17Å; M647-L650 WeakPolarHBondContact O-CA 3.48Å; M647-L650 WeakPolarHBondContact O-CB 3.2Å; M647-L650 PolarHBondContact O-N 3.26Å; M647-I651 HydrophobicContact CB-CD1 4.24Å; M647-I651 HydrophobicContact CB-CG1 4.33Å; M647-I651 PolarHBondContact O-N 2.9Å
648	E	96.9	Very high	97.5	Very high	73 Å²	73	39.2 Å²	39.2	34%	0.341	20%	0.204	S	C	.	.	H	α-helix	trans	-50.4	-44.2	-173.8	-178	61.2	-161.2	0	0	113.9	V644 E645 L650 I651 Q652	V644-E648 PolarHBondContact O-N 2.69Å; E645-E648 PolarHBondContact O-N 2.77Å; E648-L650 VanDerWaalsContact C-N 3.31Å; E648-L650 PolarHBondContact O-N 3.07Å; E648-I651 PolarHBondContact O-N 3.32Å; E648-Q652 HydrophobicContact CG-CG 4.43Å; E648-Q652 WeakPolarHBondContact O-CG 3.33Å; E648-Q652 PolarHBondContact O-N 3.02Å; E648-Q652 VanDerWaalsContact OE1-CG 3.28Å; E648-Q652 WeakPolarHBondContact OE1-CG 3.37Å; E648-Q652 PolarHBondContact OE1-NE2 3.12Å
649	P	97.1	Very high	97.6	Very high	40 Å²	40	42.2 Å²	42.2	26%	0.26	23%	0.231	S	C	.	.	H	α-helix	trans	-58.4	-41.2	175.8	-24.6	35.3	0	0	0	113.1	I495 M498 M647 W653	I495-P649 HydrophobicContact CD1-CB 3.73Å; I495-P649 WeakPolarHBondContact CD1-O 3.25Å; M498-P649 HydrophobicContact CE-CB 4.47Å; M498-P649 HydrophobicContact CE-CG 3.92Å; M498-P649 HydrophobicContact SD-CB 4.04Å; M498-P649 HydrophobicContact SD-CG 4.08Å; M647-P649 VanDerWaalsContact C-CD 3.45Å; M647-P649 VanDerWaalsContact C-N 3.34Å; M647-P649 VanDerWaalsContact O-N 3.17Å; P649-W653 WeakPolarHBondContact O-CB 3.45Å; P649-W653 PolarHBondContact O-N 3.33Å; P649-W653 VanDerWaalsContact O-N 3.1Å
650	L	98.2	Very high	97.6	Very high	1 Å²	1	46 Å²	46	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-67.3	-43.9	177.2	174.9	67.4	0	0	0	111	I495 M498 Y499 A502 M647 E648 W653 L654	I495-L650 HydrophobicContact CG2-CD1 3.93Å; M498-L650 HydrophobicContact CB-CB 3.83Å; M498-L650 HydrophobicContact CB-CD2 3.98Å; M498-L650 HydrophobicContact CB-CG 4.42Å; M498-L650 HydrophobicContact SD-CB 4.11Å; Y499-L650 HydrophobicContact CD2-CD1 4.15Å; A502-L650 HydrophobicContact CB-CD2 3.66Å; M647-L650 WeakPolarHBondContact O-CA 3.48Å; M647-L650 WeakPolarHBondContact O-CB 3.2Å; M647-L650 PolarHBondContact O-N 3.26Å; E648-L650 VanDerWaalsContact C-N 3.31Å; E648-L650 PolarHBondContact O-N 3.07Å; L650-W653 HydrophobicContact CD1-CE3 4.42Å; L650-W653 PolarHBondContact O-N 2.71Å; L650-L654 HydrophobicContact CD1-CD1 4.12Å; L650-L654 HydrophobicContact CD1-CG 4.04Å; L650-L654 HydrophobicContact CD2-CD1 4.33Å; L650-L654 HydrophobicContact CG-CD1 3.84Å; L650-L654 HydrophobicContact CG-CG 4.21Å; L650-L654 WeakPolarHBondContact O-CB 3.23Å; L650-L654 WeakPolarHBondContact O-CG 3.45Å; L650-L654 PolarHBondContact O-N 2.87Å
651	I	98.3	Very high	97.3	Very high	23 Å²	23	47.5 Å²	47.5	12%	0.118	26%	0.261	C	S	.	.	H	α-helix	trans	-59.9	-50.3	-179.5	-65	170.4	0	0	0	110	M278 V644 M647 E648 W653 L654 V655	M278-I651 HydrophobicContact CB-CD1 4.24Å; M278-I651 HydrophobicContact CB-CG1 4.4Å; M278-I651 HydrophobicContact CG-CD1 4.05Å; M278-I651 HydrophobicContact CG-CG1 3.88Å; M278-I651 HydrophobicContact SD-CD1 3.7Å; M278-I651 HydrophobicContact SD-CG1 3.88Å; V644-I651 HydrophobicContact CB-CD1 4.32Å; V644-I651 HydrophobicContact CG1-CD1 3.76Å; M647-I651 HydrophobicContact CB-CD1 4.24Å; M647-I651 HydrophobicContact CB-CG1 4.33Å; M647-I651 PolarHBondContact O-N 2.9Å; E648-I651 PolarHBondContact O-N 3.32Å; I651-W653 VanDerWaalsContact C-N 3.27Å; I651-W653 PolarHBondContact O-N 2.91Å; I651-L654 PolarHBondContact O-N 2.84Å; I651-V655 HydrophobicContact CG2-CG2 4.43Å; I651-V655 WeakPolarHBondContact O-CG2 3.45Å; I651-V655 PolarHBondContact O-N 2.99Å
652	Q	97.9	Very high	97	Very high	119 Å²	119	46.6 Å²	46.6	56%	0.556	26%	0.257	S	S	*	.	H	α-helix	trans	-58.5	-41.7	177.2	-69.1	-179.2	-0	0	0	111.8	E648 K656	E648-Q652 HydrophobicContact CG-CG 4.43Å; E648-Q652 WeakPolarHBondContact O-CG 3.33Å; E648-Q652 PolarHBondContact O-N 3.02Å; E648-Q652 VanDerWaalsContact OE1-CG 3.28Å; E648-Q652 WeakPolarHBondContact OE1-CG 3.37Å; E648-Q652 PolarHBondContact OE1-NE2 3.12Å; Q652-K656 WeakPolarHBondContact O-CB 3.09Å; Q652-K656 PolarHBondContact O-N 2.89Å; Q652-K656 VanDerWaalsContact O-N 3.08Å
653	W	98.4	Very high	96.7	Very high	41 Å²	41	47 Å²	47	16%	0.155	26%	0.258	C	S	.	.	H	α-helix	trans	-63.9	-45.4	176.8	-177	91.1	0	0	0	112	Y285 P344 F345 I495 P649 L650 I651 K656 K657	Y285-W653 HydrophobicContact CD2-CH2 4.21Å; Y285-W653 HydrophobicContact CD2-CZ3 4.04Å; Y285-W653 HydrophobicContact CE1-CH2 4.44Å; Y285-W653 HydrophobicContact CE1-CZ3 4.29Å; Y285-W653 AromaticContact CE2-CH2 3.44Å; Y285-W653 HydrophobicContact CE2-CH2 3.44Å; Y285-W653 VanDerWaalsContact CE2-CH2 3.44Å; Y285-W653 AromaticContact CE2-CZ3 3.68Å; Y285-W653 HydrophobicContact CE2-CZ3 3.68Å; Y285-W653 HydrophobicContact CG-CZ3 4.49Å; Y285-W653 AromaticContact CZ-CH2 3.58Å; Y285-W653 AromaticContact CZ-CZ3 3.82Å; P344-W653 HydrophobicContact CB-CD2 4.42Å; P344-W653 HydrophobicContact CB-CE3 4.33Å; P344-W653 HydrophobicContact CB-CH2 3.38Å; P344-W653 HydrophobicContact CB-CZ2 3.48Å; P344-W653 VanDerWaalsContact CB-CZ2 3.48Å; P344-W653 HydrophobicContact CB-CZ3 3.84Å; P344-W653 HydrophobicContact CG-CE3 4.24Å; P344-W653 HydrophobicContact CG-CH2 3.66Å; P344-W653 HydrophobicContact CG-CZ2 4.25Å; P344-W653 HydrophobicContact CG-CZ3 3.66Å; F345-W653 AromaticContact CE2-CD1 3.99Å; F345-W653 AromaticContact CE2-NE1 3.53Å; F345-W653 AromaticContact CZ-CD1 3.77Å; F345-W653 AromaticContact CZ-NE1 3.2Å; I495-W653 HydrophobicContact CD1-CB 3.95Å; I495-W653 HydrophobicContact CD1-CG 4.46Å; I495-W653 HydrophobicContact CG2-CD2 4.13Å; I495-W653 HydrophobicContact CG2-CE3 4.37Å; I495-W653 HydrophobicContact CG2-CG 4.16Å; P649-W653 WeakPolarHBondContact O-CB 3.45Å; P649-W653 PolarHBondContact O-N 3.33Å; P649-W653 VanDerWaalsContact O-N 3.1Å; L650-W653 HydrophobicContact CD1-CE3 4.42Å; L650-W653 PolarHBondContact O-N 2.71Å; I651-W653 VanDerWaalsContact C-N 3.27Å; I651-W653 PolarHBondContact O-N 2.91Å; W653-K656 PolarHBondContact O-N 3.02Å; W653-K657 HydrophobicContact CD2-CB 4.49Å; W653-K657 HydrophobicContact CE3-CB 4.38Å; W653-K657 HydrophobicContact CH2-CB 4.24Å; W653-K657 HydrophobicContact CH2-CD 4.19Å; W653-K657 HydrophobicContact CH2-CG 3.85Å; W653-K657 HydrophobicContact CZ2-CB 4.33Å; W653-K657 HydrophobicContact CZ2-CD 3.82Å; W653-K657 HydrophobicContact CZ2-CG 3.98Å; W653-K657 HydrophobicContact CZ3-CB 4.26Å; W653-K657 HydrophobicContact CZ3-CG 4.31Å; W653-K657 VanDerWaalsContact O-CB 3.25Å; W653-K657 WeakPolarHBondContact O-CB 3.47Å; W653-K657 PolarHBondContact O-N 3.4Å
654	L	98.4	Very high	96.5	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-62.1	-47.2	178.3	-73.1	169	0	0	0	111.4	Q281 L282 Y285 L650 I651 K656 K657 N658	Q281-L654 HydrophobicContact CB-CB 4.04Å; Q281-L654 HydrophobicContact CB-CD1 4.38Å; L282-L654 HydrophobicContact CB-CD1 4.37Å; L282-L654 HydrophobicContact CD1-CD1 4.5Å; Y285-L654 HydrophobicContact CD1-CD2 3.88Å; Y285-L654 HydrophobicContact CD2-CD2 4.21Å; Y285-L654 HydrophobicContact CG-CD2 3.59Å; L650-L654 HydrophobicContact CD1-CD1 4.12Å; L650-L654 HydrophobicContact CD1-CG 4.04Å; L650-L654 HydrophobicContact CD2-CD1 4.33Å; L650-L654 HydrophobicContact CG-CD1 3.84Å; L650-L654 HydrophobicContact CG-CG 4.21Å; L650-L654 WeakPolarHBondContact O-CB 3.23Å; L650-L654 WeakPolarHBondContact O-CG 3.45Å; L650-L654 PolarHBondContact O-N 2.87Å; I651-L654 PolarHBondContact O-N 2.84Å; L654-K656 VanDerWaalsContact C-N 3.34Å; L654-K656 PolarHBondContact O-N 3.44Å; L654-K657 PolarHBondContact O-N 3.31Å; L654-N658 WeakPolarHBondContact O-CB 3.49Å; L654-N658 PolarHBondContact O-N 2.94Å; L654-N658 PolarHBondContact O-ND2 2.59Å
655	V	98.1	Very high	96.4	Very high	67 Å²	67	50.2 Å²	50.2	41%	0.406	28%	0.278	S	S	.	.	H	α-helix	trans	-56	-50	177.3	170.1	0	0	0	0	110.6	Q281 I651 K657 A659	Q281-V655 HydrophobicContact CG-CG2 3.94Å; I651-V655 HydrophobicContact CG2-CG2 4.43Å; I651-V655 WeakPolarHBondContact O-CG2 3.45Å; I651-V655 PolarHBondContact O-N 2.99Å; V655-K657 PolarHBondContact O-N 3.25Å; V655-A659 WeakPolarHBondContact O-CB 3.35Å; V655-A659 PolarHBondContact O-N 3.13Å; V655-A659 VanDerWaalsContact O-N 3.08Å
656	K	97.9	Very high	96.1	Very high	133 Å²	133	46.9 Å²	46.9	58%	0.578	27%	0.265	S	S	*	.	H	α-helix	trans	-61.4	-46.3	177.8	-176.9	-178.7	177	-175.8	0	111.3	Q652 W653 L654 A659 E660	Q652-K656 WeakPolarHBondContact O-CB 3.09Å; Q652-K656 PolarHBondContact O-N 2.89Å; Q652-K656 VanDerWaalsContact O-N 3.08Å; W653-K656 PolarHBondContact O-N 3.02Å; L654-K656 VanDerWaalsContact C-N 3.34Å; L654-K656 PolarHBondContact O-N 3.44Å; K656-A659 PolarHBondContact O-N 3.25Å; K656-E660 WeakPolarHBondContact CE-OE1 3.26Å; K656-E660 WeakPolarHBondContact O-CG 3.28Å; K656-E660 PolarHBondContact O-N 2.92Å
657	K	97.2	Very high	95.9	Very high	66 Å²	66	47.8 Å²	47.8	29%	0.287	27%	0.269	S	S	.	.	H	α-helix	trans	-65.8	-41.7	-176.1	-163.7	73.2	-147.3	152.5	0	112.5	Y285 W653 L654 V655 E660 G661	Y285-K657 HydrophobicContact CD2-CG 4.11Å; Y285-K657 HydrophobicContact CE2-CG 3.95Å; W653-K657 HydrophobicContact CD2-CB 4.49Å; W653-K657 HydrophobicContact CE3-CB 4.38Å; W653-K657 HydrophobicContact CH2-CB 4.24Å; W653-K657 HydrophobicContact CH2-CD 4.19Å; W653-K657 HydrophobicContact CH2-CG 3.85Å; W653-K657 HydrophobicContact CZ2-CB 4.33Å; W653-K657 HydrophobicContact CZ2-CD 3.82Å; W653-K657 HydrophobicContact CZ2-CG 3.98Å; W653-K657 HydrophobicContact CZ3-CB 4.26Å; W653-K657 HydrophobicContact CZ3-CG 4.31Å; W653-K657 VanDerWaalsContact O-CB 3.25Å; W653-K657 WeakPolarHBondContact O-CB 3.47Å; W653-K657 PolarHBondContact O-N 3.4Å; L654-K657 PolarHBondContact O-N 3.31Å; V655-K657 PolarHBondContact O-N 3.25Å; K657-E660 IonicContact NZ-OE2 2.79Å; K657-E660 PolarHBondContact NZ-OE2 3.11Å; K657-E660 PolarHBondContact O-N 3.49Å; K657-G661 PolarHBondContact O-N 2.93Å
658	N	97.6	Very high	95.3	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-66.8	-40.3	177.5	-69.8	-23	0	0	0	111.1	Q281 Y285 L654 G661 G662 D663 I665	Q281-N658 PolarHBondContact O-ND2 2.78Å; Q281-N658 PolarHBondContact OE1-ND2 3.2Å; Y285-N658 VanDerWaalsContact CA-OD1 3.25Å; Y285-N658 WeakPolarHBondContact CA-OD1 3.42Å; Y285-N658 WeakPolarHBondContact CB-OD1 3.28Å; Y285-N658 PolarHBondContact N-OD1 3.16Å; L654-N658 WeakPolarHBondContact O-CB 3.49Å; L654-N658 PolarHBondContact O-N 2.94Å; L654-N658 PolarHBondContact O-ND2 2.59Å; N658-G661 PolarHBondContact O-N 3.37Å; N658-G662 PolarHBondContact O-N 2.93Å; N658-D663 HydrophobicContact CB-CB 4.4Å; N658-D663 PolarHBondContact O-N 3.27Å; N658-I665 HydrophobicContact CB-CD1 3.87Å
659	A	95.8	Very high	94	Very high	77 Å²	77	52.4 Å²	52.4	64%	0.636	29%	0.294	S	S	*	.	H	α-helix	trans	-62.5	-44.6	174.6	0	0	0	0	0	112.2	V655 K656 G661 G662	V655-A659 WeakPolarHBondContact O-CB 3.35Å; V655-A659 PolarHBondContact O-N 3.13Å; V655-A659 VanDerWaalsContact O-N 3.08Å; K656-A659 PolarHBondContact O-N 3.25Å; A659-G661 VanDerWaalsContact C-N 3.3Å; A659-G661 PolarHBondContact O-N 3.38Å; A659-G662 PolarHBondContact O-N 3.07Å
660	E	95.8	Very high	92.2	Very high	114 Å²	114	54.7 Å²	54.7	53%	0.533	30%	0.299	S	S	.	.	H	α-helix	trans	-60.7	-37.4	174.6	-73.8	172.4	-177.3	0	0	112.6	K656 K657 G662	K656-E660 WeakPolarHBondContact CE-OE1 3.26Å; K656-E660 WeakPolarHBondContact O-CG 3.28Å; K656-E660 PolarHBondContact O-N 2.92Å; K657-E660 IonicContact NZ-OE2 2.79Å; K657-E660 PolarHBondContact NZ-OE2 3.11Å; K657-E660 PolarHBondContact O-N 3.49Å; E660-G662 VanDerWaalsContact C-N 3.32Å
661	G	90.7	Very high	89.7	Confident	34 Å²	34	60.2 Å²	60.2	35%	0.351	33%	0.332	S	S	.	.	H	α-helix	trans	-78.4	-12.8	178.8	0	0	0	0	0	114.5	K657 N658 A659 D663	K657-G661 PolarHBondContact O-N 2.93Å; N658-G661 PolarHBondContact O-N 3.37Å; A659-G661 VanDerWaalsContact C-N 3.3Å; A659-G661 PolarHBondContact O-N 3.38Å; G661-D663 PolarHBondContact O-N 3.05Å
662	G	92.1	Very high	86.8	Confident	38 Å²	38	65.1 Å²	65.1	39%	0.392	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	32.3	-170	0	0	0	0	0	112.5	K300 N658 A659 E660	K300-G662 WeakPolarHBondContact CE-O 3.46Å; K300-G662 PolarHBondContact NZ-O 2.91Å; N658-G662 PolarHBondContact O-N 2.93Å; A659-G662 PolarHBondContact O-N 3.07Å; E660-G662 VanDerWaalsContact C-N 3.32Å
663	D	91.4	Very high	84.1	Confident	17 Å²	17	64.6 Å²	64.6	9%	0.091	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-78.5	132.9	178.4	-71.6	-55.3	0	0	0	110.1	R291 N658 G661	R291-D663 IonicContact CZ-OD1 3.9Å; R291-D663 VanDerWaalsContact CZ-OD1 3.27Å; R291-D663 IonicContact NH1-OD1 2.62Å; R291-D663 PolarHBondContact NH1-OD1 2.78Å; R291-D663 IonicContact NH2-OD1 2.75Å; R291-D663 PolarHBondContact NH2-OD1 3.04Å; N658-D663 HydrophobicContact CB-CB 4.4Å; N658-D663 PolarHBondContact O-N 3.27Å; G661-D663 PolarHBondContact O-N 3.05Å
664	A	93.2	Very high	81.1	Confident	34 Å²	34	69.6 Å²	69.6	28%	0.281	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-68.9	139.7	175.4	0	0	0	0	0	109.5	A284 R287 D301	A284-A664 VanDerWaalsContact CB-O 3.24Å; A284-A664 WeakPolarHBondContact CB-O 3.41Å; R287-A664 PolarHBondContact NH2-O 3.28Å; D301-A664 HydrophobicContact CB-CB 3.84Å
665	I	96.1	Very high	78.4	Confident	79 Å²	79	74.9 Å²	74.9	41%	0.405	41%	0.406	S	S	.	.	S	Bend	trans	-91.1	135.7	174	-54.8	-53.4	0	0	0	108.7	D280 Q281 A284 N658	D280-I665 HydrophobicContact CB-CG2 3.71Å; Q281-I665 VanDerWaalsContact OE1-CD1 3.28Å; A284-I665 HydrophobicContact CB-CD1 3.63Å; N658-I665 HydrophobicContact CB-CD1 3.87Å
666	G	91.8	Very high	75.5	Confident	9 Å²	9	76.6 Å²	76.6	9%	0.093	42%	0.417	C	S	.	.	S	Bend	trans	72.7	-164.7	-170.4	0	0	0	0	0	112.4	R287	R287-G666 VanDerWaalsContact CZ-O 3.26Å; R287-G666 PolarHBondContact NH1-O 3.37Å; R287-G666 PolarHBondContact NH2-O 2.91Å
667	W	93.9	Very high	72.8	Confident	37 Å²	37	75.3 Å²	75.3	14%	0.14	41%	0.413	C	S	.	.			trans	-141.2	148.9	-179.8	51.2	90.7	0	0	0	111.7	Y279 H283 D301 E541	Y279-W667 HydrophobicContact CD1-CH2 4.24Å; Y279-W667 HydrophobicContact CD1-CZ3 4.34Å; Y279-W667 AromaticContact CE1-CH2 3.72Å; Y279-W667 HydrophobicContact CE1-CH2 3.72Å; Y279-W667 AromaticContact CE1-CZ3 3.84Å; Y279-W667 HydrophobicContact CE1-CZ3 3.84Å; H283-W667 HydrophobicContact CB-CZ3 4.43Å; H283-W667 AromaticContact CD2-CE3 3.94Å; H283-W667 AromaticContact CD2-CZ3 3.87Å; H283-W667 AromaticContact CE1-CE3 3.65Å; H283-W667 AromaticContact CG-CZ3 3.97Å; H283-W667 AromaticContact ND1-CE3 3.86Å; H283-W667 AromaticContact NE2-CE3 3.71Å; D301-W667 CarbonylContact O-C 3.43Å; D301-W667 WeakPolarHBondContact O-CA 3.2Å; E541-W667 PolarHBondContact O-NE1 2.82Å
668	V	84.8	Confident	70.2	Confident	69 Å²	69	73.9 Å²	73.9	42%	0.418	41%	0.408	S	S	.	.			trans	-86	127.4	170.6	-177.3	0	0	0	0	108	D301 Y670	D301-V668 HydrophobicContact CB-CG2 4.36Å; D301-V668 PolarHBondContact O-N 3.48Å; V668-Y670 HydrophobicContact CB-CE1 4.49Å; V668-Y670 HydrophobicContact CB-CE2 4.41Å; V668-Y670 HydrophobicContact CG1-CD1 4.43Å; V668-Y670 HydrophobicContact CG1-CE1 4.14Å; V668-Y670 PolarHBondContact O-N 3.32Å
669	E	69	Low	67.3	Low	100 Å²	100	80.3 Å²	80.3	47%	0.467	44%	0.438	S	S	.	.			trans	-75.4	111.1	170	-66.6	-179.2	-177.2	0	0	108.3	E541 T671	E541-E669 HydrophobicContact CG-CG 4.34Å; E669-T671 VanDerWaalsContact C-N 3.34Å; E669-T671 HydrophobicContact CB-CG2 4.38Å; E669-T671 PolarHBondContact O-N 2.89Å; E669-T671 VanDerWaalsContact O-N 3.16Å
670	Y	58.9	Low	64.7	Low	89 Å²	89	81.2 Å²	81.2	35%	0.349	44%	0.435	S	S	.	.			trans	-86.7	81.8	173.4	-62.3	-75.3	0	0	0	108.1	D301 V668 N672	D301-Y670 PolarHBondContact OD1-OH 2.78Å; D301-Y670 PolarHBondContact OD2-OH 3.32Å; V668-Y670 HydrophobicContact CB-CE1 4.49Å; V668-Y670 HydrophobicContact CB-CE2 4.41Å; V668-Y670 HydrophobicContact CG1-CD1 4.43Å; V668-Y670 HydrophobicContact CG1-CE1 4.14Å; V668-Y670 PolarHBondContact O-N 3.32Å; Y670-N672 PolarHBondContact O-N 3.1Å
671	T	45.7	Very low	62	Low	116 Å²	116	78 Å²	78	71%	0.712	42%	0.419	S	S	*	.	S	Bend	trans	-64.9	-9.8	-178.4	55.7	0	0	0	0	113.8	E669	E669-T671 VanDerWaalsContact C-N 3.34Å; E669-T671 HydrophobicContact CB-CG2 4.38Å; E669-T671 PolarHBondContact O-N 2.89Å; E669-T671 VanDerWaalsContact O-N 3.16Å
672	N	38.2	Very low	59.4	Low	126 Å²	126	81 Å²	81	67%	0.674	43%	0.427	S	S	*	.			trans	-131.7	82.6	177.5	-71.6	-12	0	0	0	110.3	Y670 E674	Y670-N672 PolarHBondContact O-N 3.1Å; N672-E674 PolarHBondContact O-N 3.4Å
673	Y	41.2	Very low	56.8	Low	109 Å²	109	84.9 Å²	84.9	43%	0.427	44%	0.438	S	S	.	.			trans	-75.1	82.2	157	-147.4	-96.2	0	0	0	106.8	Q677	Y673-Q677 HydrophobicContact CE1-CB 3.86Å; Y673-Q677 WeakPolarHBondContact OH-CB 3.39Å; Y673-Q677 PolarHBondContact OH-OE1 2.89Å
674	E	35.9	Very low	54.3	Low	145 Å²	145	88.6 Å²	88.6	68%	0.678	46%	0.462	S	S	*	.			trans	-58.9	137.7	170.3	-75.2	-178.3	166.6	0	0	109	N672 T676	N672-E674 PolarHBondContact O-N 3.4Å; E674-T676 PolarHBondContact O-N 3.24Å
675	D	40.9	Very low	51.6	Low	112 Å²	112	90.5 Å²	90.5	60%	0.599	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.5	-2.4	-169.9	-83.7	-44.4	0	0	0	118.6	R551	R551-D675 IonicContact CZ-OD1 3.75Å; R551-D675 IonicContact NH1-OD1 2.83Å; R551-D675 PolarHBondContact NH1-OD1 2.88Å; R551-D675 IonicContact NH2-OD1 2.86Å; R551-D675 PolarHBondContact NH2-OD1 3.42Å
676	T	36.6	Very low	48.5	Very low	104 Å²	104	90.7 Å²	90.7	64%	0.638	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-19.6	-165.2	57.6	0	0	0	0	115.6	E674	E674-T676 PolarHBondContact O-N 3.24Å
677	Q	42.4	Very low	45.6	Very low	106 Å²	106	97.4 Å²	97.4	50%	0.495	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-16.2	175.5	-72.7	-155.7	-11	0	0	114.3	Y673 E679 V680 Y681	Y673-Q677 HydrophobicContact CE1-CB 3.86Å; Y673-Q677 WeakPolarHBondContact OH-CB 3.39Å; Y673-Q677 PolarHBondContact OH-OE1 2.89Å; Q677-E679 VanDerWaalsContact C-N 3.27Å; Q677-E679 PolarHBondContact O-N 3.48Å; Q677-V680 PolarHBondContact O-N 3.2Å; Q677-V680 VanDerWaalsContact O-N 3.14Å; Q677-Y681 PolarHBondContact O-N 3.2Å; Q677-Y681 VanDerWaalsContact O-N 3.09Å
678	D	43	Very low	42.3	Very low	35 Å²	35	104.9 Å²	104.9	19%	0.187	54%	0.539	C	S	.	.	H	α-helix	trans	-70.6	-23.2	171.4	-86.2	-21.6	0	0	0	112.1	R551 V680 Y681 N682	R551-D678 IonicContact CZ-OD2 3.27Å; R551-D678 IonicContact NE-OD2 4Å; R551-D678 PolarHBondContact NE-OD2 3.16Å; R551-D678 IonicContact NH2-OD2 2.73Å; R551-D678 PolarHBondContact NH2-OD2 3.5Å; D678-V680 VanDerWaalsContact C-N 3.28Å; D678-V680 PolarHBondContact O-N 3.18Å; D678-Y681 PolarHBondContact O-N 2.82Å; D678-N682 WeakPolarHBondContact O-CA 3.29Å; D678-N682 WeakPolarHBondContact O-CB 3.32Å; D678-N682 PolarHBondContact O-N 3.22Å; D678-N682 PolarHBondContact O-ND2 2.96Å
679	E	37.1	Very low	39.5	Very low	137 Å²	137	107.8 Å²	107.8	64%	0.64	56%	0.559	S	S	*	*	H	α-helix	trans	-62.4	-39.5	168.4	-97.8	-173.7	169.7	0	0	110.5	Q677 L683	Q677-E679 VanDerWaalsContact C-N 3.27Å; Q677-E679 PolarHBondContact O-N 3.48Å; E679-L683 HydrophobicContact CB-CD1 4.3Å; E679-L683 WeakPolarHBondContact O-CA 3.17Å; E679-L683 WeakPolarHBondContact O-CB 3.4Å; E679-L683 WeakPolarHBondContact O-CD1 3.38Å; E679-L683 WeakPolarHBondContact O-CG 3.48Å; E679-L683 PolarHBondContact O-N 2.97Å
680	V	39.3	Very low	37.4	Very low	95 Å²	95	106.9 Å²	106.9	58%	0.576	56%	0.561	S	S	*	*	H	α-helix	trans	-73.1	-37.9	177.7	-177.1	0	0	0	0	111.3	Q677 D678 L683 T684	Q677-V680 PolarHBondContact O-N 3.2Å; Q677-V680 VanDerWaalsContact O-N 3.14Å; D678-V680 VanDerWaalsContact C-N 3.28Å; D678-V680 PolarHBondContact O-N 3.18Å; V680-L683 PolarHBondContact O-N 2.73Å; V680-T684 WeakPolarHBondContact O-CB 3.47Å; V680-T684 PolarHBondContact O-N 3.23Å; V680-T684 PolarHBondContact O-OG1 3.04Å
681	Y	39.9	Very low	35.9	Very low	47 Å²	47	112.3 Å²	112.3	18%	0.184	59%	0.589	C	S	.	*	H	α-helix	trans	-68.9	-44.4	176.9	-153.4	-92.6	0	0	0	112	Y213 F297 Q677 D678 T684 V685	Y213-Y681 HydrophobicContact CE2-CE1 4.29Å; F297-Y681 AromaticContact CD1-CE2 3.6Å; F297-Y681 HydrophobicContact CD1-CE2 3.6Å; F297-Y681 HydrophobicContact CE1-CD2 4.31Å; F297-Y681 AromaticContact CE1-CE2 3.4Å; F297-Y681 HydrophobicContact CE1-CE2 3.4Å; F297-Y681 AromaticContact CE1-CZ 3.9Å; Q677-Y681 PolarHBondContact O-N 3.2Å; Q677-Y681 VanDerWaalsContact O-N 3.09Å; D678-Y681 PolarHBondContact O-N 2.82Å; Y681-T684 PolarHBondContact O-N 3.16Å; Y681-T684 PolarHBondContact O-OG1 2.82Å; Y681-V685 HydrophobicContact CD1-CG2 4.19Å; Y681-V685 HydrophobicContact CE1-CG2 4.14Å; Y681-V685 VanDerWaalsContact O-CB 3.28Å; Y681-V685 WeakPolarHBondContact O-CB 2.76Å; Y681-V685 VanDerWaalsContact O-CG2 3.26Å; Y681-V685 WeakPolarHBondContact O-CG2 3.16Å; Y681-V685 PolarHBondContact O-N 3.42Å
682	N	35.5	Very low	34.9	Very low	97 Å²	97	109.3 Å²	109.3	52%	0.519	58%	0.581	S	S	.	*	H	α-helix	trans	-71.7	-31.5	172.4	-73.1	-36.1	0	0	0	111.9	D678 T684 S686	D678-N682 WeakPolarHBondContact O-CA 3.29Å; D678-N682 WeakPolarHBondContact O-CB 3.32Å; D678-N682 PolarHBondContact O-N 3.22Å; D678-N682 PolarHBondContact O-ND2 2.96Å; N682-T684 VanDerWaalsContact C-N 3.33Å; N682-S686 WeakPolarHBondContact O-CA 3.46Å; N682-S686 WeakPolarHBondContact O-CB 3.28Å; N682-S686 PolarHBondContact O-N 2.78Å
683	L	38.2	Very low	34.4	Very low	119 Å²	119	110.9 Å²	110.9	62%	0.623	59%	0.59	S	S	*	*	H	α-helix	trans	-72	-27.4	174.8	-79.6	158.5	0	0	0	112.4	E679 V680	E679-L683 HydrophobicContact CB-CD1 4.3Å; E679-L683 WeakPolarHBondContact O-CA 3.17Å; E679-L683 WeakPolarHBondContact O-CB 3.4Å; E679-L683 WeakPolarHBondContact O-CD1 3.38Å; E679-L683 WeakPolarHBondContact O-CG 3.48Å; E679-L683 PolarHBondContact O-N 2.97Å; V680-L683 PolarHBondContact O-N 2.73Å
684	T	37.8	Very low	33.7	Very low	96 Å²	96	111.4 Å²	111.4	59%	0.589	60%	0.599	S	S	*	*	H	α-helix	trans	-88.1	-27.5	175.8	43.8	0	0	0	0	113.5	V680 Y681 N682	V680-T684 WeakPolarHBondContact O-CB 3.47Å; V680-T684 PolarHBondContact O-N 3.23Å; V680-T684 PolarHBondContact O-OG1 3.04Å; Y681-T684 PolarHBondContact O-N 3.16Å; Y681-T684 PolarHBondContact O-OG1 2.82Å; N682-T684 VanDerWaalsContact C-N 3.33Å
685	V	37.6	Very low	33.2	Very low	74 Å²	74	116.1 Å²	116.1	45%	0.448	61%	0.61	S	S	.	*	H	α-helix	trans	-93.8	-21.5	175.4	178.7	0	0	0	0	112.5	Y681	Y681-V685 HydrophobicContact CD1-CG2 4.19Å; Y681-V685 HydrophobicContact CE1-CG2 4.14Å; Y681-V685 VanDerWaalsContact O-CB 3.28Å; Y681-V685 WeakPolarHBondContact O-CB 2.76Å; Y681-V685 VanDerWaalsContact O-CG2 3.26Å; Y681-V685 WeakPolarHBondContact O-CG2 3.16Å; Y681-V685 PolarHBondContact O-N 3.42Å
686	S	30.7	Very low	32.4	Very low	83 Å²	83	116.7 Å²	116.7	58%	0.58	61%	0.613	S	S	*	*			trans	-104.4	34.5	179.7	-154.9	0	0	0	0	113.3	N682 R688	N682-S686 WeakPolarHBondContact O-CA 3.46Å; N682-S686 WeakPolarHBondContact O-CB 3.28Å; N682-S686 PolarHBondContact O-N 2.78Å; S686-R688 PolarHBondContact O-N 3.2Å; S686-R688 VanDerWaalsContact O-N 3.07Å
687	L	31	Very low	31.9	Very low	149 Å²	149	118.8 Å²	118.8	78%	0.78	61%	0.614	S	S	*	*			trans	-75.6	83.2	143.8	-73.8	172.8	0	0	0	107.2
688	R	24.9	Very low	31.3	Very low	195 Å²	195	116.4 Å²	116.4	74%	0.736	61%	0.612	S	S	*	*			trans	12.1	134.4	148.8	-71.8	172.1	179.5	-157	7.2	114.9	S686 T690	S686-R688 PolarHBondContact O-N 3.2Å; S686-R688 VanDerWaalsContact O-N 3.07Å; R688-T690 HydrophobicContact CG-CG2 4.04Å
689	P	26	Very low	30.6	Very low	129 Å²	129	121.6 Å²	121.6	84%	0.838	64%	0.64	S	S	*	*				-103.7	118.5	84.8	26.9	-30.8	0	0	0	110.5
690	T	25.6	Very low	30.2	Very low	82 Å²	82	116.1 Å²	116.1	50%	0.503	62%	0.617	S	S	.	*			trans	-33.6	138.8	149.6	29.5	0	0	0	0	110.5	R688 G692	R688-T690 HydrophobicContact CG-CG2 4.04Å; T690-G692 PolarHBondContact O-N 2.96Å
691	H	27.1	Very low	29.8	Very low	202 Å²	202	117.1 Å²	117.1	94%	0.935	62%	0.618	S	S	*	*			trans	-32.6	110.4	164	-77	39	0	0	0	110.2
692	G	24.3	Very low	29.6	Very low	54 Å²	54	116.8 Å²	116.8	56%	0.557	62%	0.622	S	S	*	*			trans	-125	98.6	175.5	0	0	0	0	0	107	T690 I694	T690-G692 PolarHBondContact O-N 2.96Å; G692-I694 VanDerWaalsContact C-N 3.28Å; G692-I694 PolarHBondContact O-N 3.31Å
693	D	26.8	Very low	29.6	Very low	159 Å²	159	120.2 Å²	120.2	85%	0.85	64%	0.64	S	S	*	*			trans	-54.4	83.9	165.1	179.9	19.5	0	0	0	110.7
694	I	28.1	Very low	29.8	Very low	120 Å²	120	120.2 Å²	120.2	62%	0.615	64%	0.64	S	S	*	*			trans	-155.9	87.2	-176.8	-47.5	176.7	0	0	0	108.4	G692 N696	G692-I694 VanDerWaalsContact C-N 3.28Å; G692-I694 PolarHBondContact O-N 3.31Å; I694-N696 HydrophobicContact CG2-CB 3.77Å; I694-N696 PolarHBondContact O-N 3.32Å
695	R	23.9	Very low	30.4	Very low	243 Å²	243	125.3 Å²	125.3	92%	0.917	66%	0.657	S	S	*	*				41.6	0.3	84.2	-92.8	-170.6	-173	-170.1	3.7	118.8
696	N	24.6	Very low	31.9	Very low	124 Å²	124	124 Å²	124	66%	0.663	66%	0.659	S	S	*	*			trans	-152.9	122.1	179.2	-81.3	-46	0	0	0	114.1	I694	I694-N696 HydrophobicContact CG2-CB 3.77Å; I694-N696 PolarHBondContact O-N 3.32Å
697	K	26.4	Very low	34	Very low	149 Å²	149	121.9 Å²	121.9	65%	0.648	64%	0.642	S	S	*	*			trans	84.2	90.6	150.2	-61.1	-170.7	178	-146.5	0	118.1	D713	K697-D713 WeakPolarHBondContact CE-OD2 3.5Å; K697-D713 IonicContact NZ-OD2 2.91Å; K697-D713 PolarHBondContact NZ-OD2 3.45Å
698	A	29	Very low	36	Very low	56 Å²	56	114.9 Å²	114.9	46%	0.463	61%	0.606	S	S	.	*			trans	-93.3	145.9	158.3	0	0	0	0	0	109.6
699	N	29	Very low	38.7	Very low	143 Å²	143	107.5 Å²	107.5	77%	0.765	58%	0.579	S	S	*	*			trans	-127.1	113.5	157.7	-84.8	4.5	0	0	0	108.5
700	S	29.5	Very low	41.2	Very low	23 Å²	23	101.6 Å²	101.6	16%	0.161	54%	0.541	C	S	.	.	S	Bend	trans	-127.4	147.9	157.5	73.1	0	0	0	0	107.4	R187 S702	R187-S700 VanDerWaalsContact CZ-CB 3.46Å; R187-S700 PolarHBondContact NH1-OG 3.41Å; R187-S700 VanDerWaalsContact NH1-OG 3.17Å; R187-S700 PolarHBondContact NH2-OG 3.1Å; S700-S702 PolarHBondContact O-N 2.97Å
701	I	30.6	Very low	43.6	Very low	116 Å²	116	99.9 Å²	99.9	60%	0.595	54%	0.54	S	S	*	.	S	Bend	trans	57.3	5.4	163	-65.5	176.3	0	0	0	116.6	D703	I701-D703 VanDerWaalsContact C-N 3.34Å; I701-D703 PolarHBondContact O-N 3.06Å
702	S	34.7	Very low	46.1	Very low	40 Å²	40	92.4 Å²	92.4	28%	0.28	51%	0.506	S	S	.	.			trans	-89	42	177.3	65.2	0	0	0	0	114.4	S700 L704	S700-S702 PolarHBondContact O-N 2.97Å; S702-L704 PolarHBondContact O-N 2.89Å
703	D	36.8	Very low	48.9	Very low	168 Å²	168	92.2 Å²	92.2	90%	0.898	49%	0.492	S	S	*	.			trans	-83.5	12.7	173.5	-80.3	-11	0	0	0	112.9	I701	I701-D703 VanDerWaalsContact C-N 3.34Å; I701-D703 PolarHBondContact O-N 3.06Å
704	L	41.2	Very low	51.6	Low	120 Å²	120	84.8 Å²	84.8	63%	0.628	45%	0.452	S	S	*	.	S	Bend	trans	-91.9	99.1	162.3	-79.1	160.1	0	0	0	108	S702 G706 V707	S702-L704 PolarHBondContact O-N 2.89Å; L704-G706 PolarHBondContact O-N 3.33Å; L704-V707 HydrophobicContact CB-CG2 3.51Å; L704-V707 HydrophobicContact CD1-CG2 4.42Å
705	E	50.8	Low	54.3	Low	202 Å²	202	81.9 Å²	81.9	94%	0.944	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	122.7	173.8	-75.3	-176.1	155.2	0	0	110.4
706	G	70	Confident	57	Low	47 Å²	47	76 Å²	76	49%	0.485	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.2	9.2	170.3	0	0	0	0	0	117.3	L704 H719	L704-G706 PolarHBondContact O-N 3.33Å; G706-H719 PolarHBondContact O-N 2.75Å
707	V	74.5	Confident	59.7	Low	38 Å²	38	73.5 Å²	73.5	23%	0.23	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	148.9	174.2	-63.6	0	0	0	0	112	L704 H719 L721	L704-V707 HydrophobicContact CB-CG2 3.51Å; L704-V707 HydrophobicContact CD1-CG2 4.42Å; V707-H719 VanDerWaalsContact CA-O 3.27Å; V707-H719 WeakPolarHBondContact CA-O 3.38Å; V707-H719 HydrophobicContact CG1-CB 4.38Å; V707-L721 HydrophobicContact CB-CD1 3.97Å; V707-L721 HydrophobicContact CB-CG 4.12Å; V707-L721 HydrophobicContact CG1-CD1 4.47Å; V707-L721 HydrophobicContact CG1-CD2 4.35Å; V707-L721 HydrophobicContact CG1-CG 4.47Å; V707-L721 HydrophobicContact CG2-CD1 4.07Å
708	A	72	Confident	62.4	Low	2 Å²	2	68.7 Å²	68.7	2%	0.017	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	137	178.3	0	0	0	0	0	110.5	E712 C714 E718 H719 C720 L721 C731	A708-E712 HydrophobicContact CB-CB 4.21Å; A708-C714 HydrophobicContact CB-CB 4.41Å; A708-E718 HydrophobicContact CB-CB 3.79Å; A708-H719 PolarHBondContact N-O 3.42Å; A708-C720 CarbonylContact O-C 3.58Å; A708-C720 VanDerWaalsContact O-CA 3.28Å; A708-C720 WeakPolarHBondContact O-CA 3.44Å; A708-L721 PolarHBondContact O-N 3.48Å; A708-C731 WeakPolarHBondContact CB-SG 3.13Å
709	F	82.5	Confident	65	Low	40 Å²	40	72.5 Å²	72.5	18%	0.175	42%	0.42	C	S	.	.			trans	-81.5	160.5	176.5	-71.3	-81	0	0	0	111.6	G711 E712 L721 C731 Q742	F709-G711 PolarHBondContact O-N 2.96Å; F709-E712 HydrophobicContact CB-CG 4.21Å; F709-E712 PolarHBondContact N-OE2 3.49Å; F709-E712 VanDerWaalsContact O-CB 3.31Å; F709-E712 WeakPolarHBondContact O-CB 3.37Å; F709-E712 PolarHBondContact O-N 2.91Å; F709-L721 HydrophobicContact CD1-CB 4.28Å; F709-L721 HydrophobicContact CD1-CD1 4.3Å; F709-L721 HydrophobicContact CE1-CB 4.47Å; F709-L721 HydrophobicContact CE1-CD1 3.86Å; F709-L721 HydrophobicContact CZ-CD1 4.02Å; F709-C731 VanDerWaalsContact O-CB 3.29Å; F709-C731 WeakPolarHBondContact O-CB 3.35Å; F709-Q742 HydrophobicContact CB-CB 4.16Å; F709-Q742 HydrophobicContact CB-CG 4.21Å; F709-Q742 HydrophobicContact CD1-CB 3.69Å; F709-Q742 HydrophobicContact CD1-CG 4.26Å; F709-Q742 HydrophobicContact CD2-CG 4.44Å; F709-Q742 HydrophobicContact CE1-CB 4.24Å; F709-Q742 HydrophobicContact CG-CB 3.94Å; F709-Q742 HydrophobicContact CG-CG 4.05Å
710	P	78.4	Confident	67.5	Low	5 Å²	5	66.4 Å²	66.4	3%	0.032	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51	128.3	171.9	-21.4	29.5	0	0	0	111.5	A722 C731 C733 L739 Q742 C744	P710-A722 HydrophobicContact CG-CB 3.94Å; P710-C731 CarbonylContact C-O 3.43Å; P710-C731 WeakPolarHBondContact CA-O 3.43Å; P710-C733 VanDerWaalsContact CB-SG 3.55Å; P710-L739 HydrophobicContact CB-CD1 3.56Å; P710-L739 WeakPolarHBondContact O-CD1 3.28Å; P710-Q742 WeakPolarHBondContact CD-O 3.01Å; P710-C744 WeakPolarHBondContact CB-SG 3.13Å; P710-C744 WeakPolarHBondContact CG-SG 3.4Å
711	G	76	Confident	69.8	Low	47 Å²	47	68 Å²	68	49%	0.485	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	-9.4	-174	0	0	0	0	0	115.7	F709 C731	F709-G711 PolarHBondContact O-N 2.96Å; G711-C731 PolarHBondContact N-O 3.08Å
712	E	80.1	Confident	71.6	Confident	45 Å²	45	64 Å²	64	21%	0.21	38%	0.38	C	S	.	.	S	Bend	trans	-94.4	161.5	179.4	-61.7	-177.4	163.1	0	0	113.2	A708 F709 V730 C731	A708-E712 HydrophobicContact CB-CB 4.21Å; F709-E712 HydrophobicContact CB-CG 4.21Å; F709-E712 PolarHBondContact N-OE2 3.49Å; F709-E712 VanDerWaalsContact O-CB 3.31Å; F709-E712 WeakPolarHBondContact O-CB 3.37Å; F709-E712 PolarHBondContact O-N 2.91Å; E712-V730 CarbonylContact O-C 3.18Å; E712-V730 WeakPolarHBondContact O-CA 3.29Å; E712-V730 WeakPolarHBondContact O-CB 3.25Å; E712-C731 PolarHBondContact O-N 3.41Å
713	D	81.1	Confident	73.5	Confident	49 Å²	49	68.9 Å²	68.9	26%	0.262	40%	0.403	S	S	.	.	B	Isolated β-bridge	trans	-68.6	127.5	179.5	-173.3	-4.4	0	0	0	110.5	K697 S715 T729	K697-D713 WeakPolarHBondContact CE-OD2 3.5Å; K697-D713 IonicContact NZ-OD2 2.91Å; K697-D713 PolarHBondContact NZ-OD2 3.45Å; D713-S715 WeakPolarHBondContact OD1-CB 3.24Å; D713-S715 PolarHBondContact OD1-N 2.85Å; D713-S715 PolarHBondContact OD1-OG 3.4Å; D713-S715 PolarHBondContact OD2-OG 2.8Å; D713-T729 WeakPolarHBondContact CA-O 3.3Å
714	C	85	Confident	75.6	Confident	4 Å²	4	61.2 Å²	61.2	3%	0.027	36%	0.362	C	S	.	.			trans	-123.3	14.2	176.1	62.6	0	0	0	0	112.4	A708 N716 G717 E718 C726 T729 V730	A708-C714 HydrophobicContact CB-CB 4.41Å; C714-N716 PolarHBondContact O-N 2.62Å; C714-G717 PolarHBondContact O-N 3.25Å; C714-E718 VanDerWaalsContact CA-OE2 3.29Å; C714-E718 WeakPolarHBondContact CA-OE2 3.32Å; C714-C726 HydrophobicContact CB-CB 3.8Å; C714-C726 WeakPolarHBondContact CB-SG 3.28Å; C714-C726 PolarHBondContact O-SG 3.18Å; C714-C726 VanDerWaalsContact O-SG 3.38Å; C714-C726 WeakPolarHBondContact SG-CA 3.49Å; C714-C726 WeakPolarHBondContact SG-CB 3.39Å; C714-C726 CovalentContact SG-SG 2.03Å; C714-C726 PolarHBondContact SG-SG 3.47Å; C714-T729 PolarHBondContact N-O 3.25Å; C714-V730 VanDerWaalsContact SG-CA 3.53Å; C714-V730 PolarHBondContact SG-N 3.45Å; C714-V730 PolarHBondContact SG-O 2.75Å; C714-V730 VanDerWaalsContact SG-O 3.39Å
715	S	83.6	Confident	77.9	Confident	59 Å²	59	63.5 Å²	63.5	41%	0.413	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-15.6	-174.9	60.8	0	0	0	0	114.1	D713	D713-S715 WeakPolarHBondContact OD1-CB 3.24Å; D713-S715 PolarHBondContact OD1-N 2.85Å; D713-S715 PolarHBondContact OD1-OG 3.4Å; D713-S715 PolarHBondContact OD2-OG 2.8Å
716	N	81.7	Confident	79.6	Confident	120 Å²	120	56.6 Å²	56.6	64%	0.642	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	12	177.3	-42.9	-67.9	0	0	0	113	C714 E718	C714-N716 PolarHBondContact O-N 2.62Å; N716-E718 VanDerWaalsContact C-OE2 3.27Å; N716-E718 WeakPolarHBondContact CA-OE2 3.23Å; N716-E718 WeakPolarHBondContact CB-OE1 3.35Å; N716-E718 PolarHBondContact N-OE2 2.73Å; N716-E718 PolarHBondContact ND2-OE1 3.46Å; N716-E718 VanDerWaalsContact ND2-OE1 3.15Å
717	G	80.7	Confident	80.6	Confident	71 Å²	71	58.6 Å²	58.6	73%	0.732	34%	0.34	S	S	*	.	S	Bend	trans	95.7	16.2	175.2	0	0	0	0	0	114.9	C714	C714-G717 PolarHBondContact O-N 3.25Å
718	E	84.1	Confident	81	Confident	47 Å²	47	59.2 Å²	59.2	22%	0.22	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-63.1	139.1	174.7	-58.5	86.4	166.5	0	0	111.7	A708 C714 N716	A708-E718 HydrophobicContact CB-CB 3.79Å; C714-E718 VanDerWaalsContact CA-OE2 3.29Å; C714-E718 WeakPolarHBondContact CA-OE2 3.32Å; N716-E718 VanDerWaalsContact C-OE2 3.27Å; N716-E718 WeakPolarHBondContact CA-OE2 3.23Å; N716-E718 WeakPolarHBondContact CB-OE1 3.35Å; N716-E718 PolarHBondContact N-OE2 2.73Å; N716-E718 PolarHBondContact ND2-OE1 3.46Å; N716-E718 VanDerWaalsContact ND2-OE1 3.15Å
719	H	83.3	Confident	81.6	Confident	136 Å²	136	62.9 Å²	62.9	63%	0.63	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	119.4	178.4	-169.5	71.1	0	0	0	111.1	G706 V707 A708	G706-H719 PolarHBondContact O-N 2.75Å; V707-H719 VanDerWaalsContact CA-O 3.27Å; V707-H719 WeakPolarHBondContact CA-O 3.38Å; V707-H719 HydrophobicContact CG1-CB 4.38Å; A708-H719 PolarHBondContact N-O 3.42Å
720	C	81.6	Confident	81.8	Confident	16 Å²	16	63.4 Å²	63.4	11%	0.108	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	130.4	-179.3	-65.9	0	0	0	0	112.8	A708 S724 C726 C731	A708-C720 CarbonylContact O-C 3.58Å; A708-C720 VanDerWaalsContact O-CA 3.28Å; A708-C720 WeakPolarHBondContact O-CA 3.44Å; C720-S724 VanDerWaalsContact CB-O 3.25Å; C720-S724 WeakPolarHBondContact CB-O 3.44Å; C720-S724 WeakPolarHBondContact CB-OG 3.1Å; C720-C726 VanDerWaalsContact SG-CA 3.52Å; C720-C726 VanDerWaalsContact SG-CB 3.55Å; C720-C726 PolarHBondContact SG-N 3.48Å; C720-C731 WeakPolarHBondContact CA-SG 3.4Å; C720-C731 HydrophobicContact CB-CB 3.73Å; C720-C731 WeakPolarHBondContact CB-SG 3.35Å; C720-C731 WeakPolarHBondContact SG-CA 3.46Å; C720-C731 WeakPolarHBondContact SG-CB 3.5Å; C720-C731 CovalentContact SG-SG 2.03Å; C720-C731 PolarHBondContact SG-SG 3.09Å
721	L	77.3	Confident	82.1	Confident	56 Å²	56	63.2 Å²	63.2	29%	0.293	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-96.1	171.2	179.4	-64.7	178.4	0	0	0	112.7	V707 A708 F709 D723 S724	V707-L721 HydrophobicContact CB-CD1 3.97Å; V707-L721 HydrophobicContact CB-CG 4.12Å; V707-L721 HydrophobicContact CG1-CD1 4.47Å; V707-L721 HydrophobicContact CG1-CD2 4.35Å; V707-L721 HydrophobicContact CG1-CG 4.47Å; V707-L721 HydrophobicContact CG2-CD1 4.07Å; A708-L721 PolarHBondContact O-N 3.48Å; F709-L721 HydrophobicContact CD1-CB 4.28Å; F709-L721 HydrophobicContact CD1-CD1 4.3Å; F709-L721 HydrophobicContact CE1-CB 4.47Å; F709-L721 HydrophobicContact CE1-CD1 3.86Å; F709-L721 HydrophobicContact CZ-CD1 4.02Å; L721-D723 PolarHBondContact O-N 3.37Å; L721-S724 PolarHBondContact O-N 2.71Å; L721-S724 PolarHBondContact O-OG 3.37Å
722	A	67.3	Low	82.6	Confident	32 Å²	32	64.8 Å²	64.8	26%	0.264	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	49.1	173.7	0	0	0	0	0	114.3	P710 S724 N743 C744	P710-A722 HydrophobicContact CG-CB 3.94Å; A722-S724 PolarHBondContact O-N 3.04Å; A722-N743 HydrophobicContact CB-CB 4.48Å; A722-N743 WeakPolarHBondContact CB-OD1 2.98Å; A722-C744 PolarHBondContact O-SG 3.19Å
723	D	75.1	Confident	82.7	Confident	142 Å²	142	63.7 Å²	63.7	76%	0.759	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	5.3	179.8	-59.2	-34	0	0	0	116.2	L721 P734	L721-D723 PolarHBondContact O-N 3.37Å; D723-P734 WeakPolarHBondContact O-CD 3.45Å
724	S	82.4	Confident	82.7	Confident	8 Å²	8	64.1 Å²	64.1	6%	0.056	38%	0.38	C	S	.	.			trans	-72.8	152.7	172.9	65.3	0	0	0	0	112.1	C720 L721 A722 I732	C720-S724 VanDerWaalsContact CB-O 3.25Å; C720-S724 WeakPolarHBondContact CB-O 3.44Å; C720-S724 WeakPolarHBondContact CB-OG 3.1Å; L721-S724 PolarHBondContact O-N 2.71Å; L721-S724 PolarHBondContact O-OG 3.37Å; A722-S724 PolarHBondContact O-N 3.04Å; S724-I732 CarbonylContact C-O 3.59Å; S724-I732 VanDerWaalsContact CA-O 3.27Å; S724-I732 WeakPolarHBondContact CA-O 3.33Å; S724-I732 WeakPolarHBondContact CB-O 3.38Å
725	K	87.5	Confident	82.2	Confident	167 Å²	167	73.5 Å²	73.5	73%	0.726	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	135.7	176.4	-70	-172.4	178.1	-177.6	0	110.2	N727 I732	K725-N727 PolarHBondContact O-N 3.3Å; K725-I732 PolarHBondContact N-O 2.73Å; K725-I732 PolarHBondContact O-N 3.12Å
726	C	88.3	Confident	81.3	Confident	57 Å²	57	76.6 Å²	76.6	39%	0.385	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	122.3	173.4	-171.7	0	0	0	0	109	C714 C720 G728	C714-C726 HydrophobicContact CB-CB 3.8Å; C714-C726 WeakPolarHBondContact CB-SG 3.28Å; C714-C726 PolarHBondContact O-SG 3.18Å; C714-C726 VanDerWaalsContact O-SG 3.38Å; C714-C726 WeakPolarHBondContact SG-CA 3.49Å; C714-C726 WeakPolarHBondContact SG-CB 3.39Å; C714-C726 CovalentContact SG-SG 2.03Å; C714-C726 PolarHBondContact SG-SG 3.47Å; C720-C726 VanDerWaalsContact SG-CA 3.52Å; C720-C726 VanDerWaalsContact SG-CB 3.55Å; C720-C726 PolarHBondContact SG-N 3.48Å; C726-G728 VanDerWaalsContact C-N 3.25Å; C726-G728 PolarHBondContact SG-N 3.41Å
727	N	90.1	Very high	80.8	Confident	90 Å²	90	72.3 Å²	72.3	48%	0.481	41%	0.411	S	S	.	.			trans	-88.7	8.1	174.9	78.3	-24.8	0	0	0	112.9	K725 T729 V730 I732	K725-N727 PolarHBondContact O-N 3.3Å; N727-T729 PolarHBondContact OD1-N 3.18Å; N727-T729 PolarHBondContact OD1-OG1 3.5Å; N727-T729 VanDerWaalsContact OD1-OG1 3.12Å; N727-V730 PolarHBondContact N-O 2.83Å; N727-V730 PolarHBondContact OD1-N 2.85Å; N727-V730 PolarHBondContact OD1-O 3.26Å; N727-I732 HydrophobicContact CB-CD1 3.67Å; N727-I732 HydrophobicContact CB-CG1 3.98Å; N727-I732 WeakPolarHBondContact ND2-CD1 3.38Å
728	G	82.3	Confident	80.1	Confident	50 Å²	50	73 Å²	73	52%	0.515	40%	0.397	S	S	.	.	S	Bend	trans	99.7	-9.7	-173.4	0	0	0	0	0	114.4	C726	C726-G728 VanDerWaalsContact C-N 3.25Å; C726-G728 PolarHBondContact SG-N 3.41Å
729	T	84.8	Confident	79	Confident	80 Å²	80	75.2 Å²	75.2	49%	0.491	41%	0.41	S	S	.	.	S	Bend	trans	-134.3	-43.1	172.6	51.1	0	0	0	0	112.9	D713 C714 N727	D713-T729 WeakPolarHBondContact CA-O 3.3Å; C714-T729 PolarHBondContact N-O 3.25Å; N727-T729 PolarHBondContact OD1-N 3.18Å; N727-T729 PolarHBondContact OD1-OG1 3.5Å; N727-T729 VanDerWaalsContact OD1-OG1 3.12Å
730	V	86.2	Confident	77.6	Confident	51 Å²	51	77.2 Å²	77.2	31%	0.309	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-137.3	154.4	-178.4	-68.8	0	0	0	0	111.9	E712 C714 N727 I732	E712-V730 CarbonylContact O-C 3.18Å; E712-V730 WeakPolarHBondContact O-CA 3.29Å; E712-V730 WeakPolarHBondContact O-CB 3.25Å; C714-V730 VanDerWaalsContact SG-CA 3.53Å; C714-V730 PolarHBondContact SG-N 3.45Å; C714-V730 PolarHBondContact SG-O 2.75Å; C714-V730 VanDerWaalsContact SG-O 3.39Å; N727-V730 PolarHBondContact N-O 2.83Å; N727-V730 PolarHBondContact OD1-N 2.85Å; N727-V730 PolarHBondContact OD1-O 3.26Å; V730-I732 HydrophobicContact CG2-CD1 4.11Å; V730-I732 HydrophobicContact CG2-CG1 3.84Å; V730-I732 PolarHBondContact O-N 2.93Å
731	C	84.8	Confident	76.5	Confident	1 Å²	1	84.2 Å²	84.2	1%	0.007	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	109.7	172.6	-68.7	0	0	0	0	110	A708 F709 P710 G711 E712 C720	A708-C731 WeakPolarHBondContact CB-SG 3.13Å; F709-C731 VanDerWaalsContact O-CB 3.29Å; F709-C731 WeakPolarHBondContact O-CB 3.35Å; P710-C731 CarbonylContact C-O 3.43Å; P710-C731 WeakPolarHBondContact CA-O 3.43Å; G711-C731 PolarHBondContact N-O 3.08Å; E712-C731 PolarHBondContact O-N 3.41Å; C720-C731 WeakPolarHBondContact CA-SG 3.4Å; C720-C731 HydrophobicContact CB-CB 3.73Å; C720-C731 WeakPolarHBondContact CB-SG 3.35Å; C720-C731 WeakPolarHBondContact SG-CA 3.46Å; C720-C731 WeakPolarHBondContact SG-CB 3.5Å; C720-C731 CovalentContact SG-SG 2.03Å; C720-C731 PolarHBondContact SG-SG 3.09Å
732	I	87.4	Confident	75.8	Confident	80 Å²	80	83.4 Å²	83.4	41%	0.41	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	133.9	-177	-55.4	-165	0	0	0	110.5	S724 K725 N727 V730	S724-I732 CarbonylContact C-O 3.59Å; S724-I732 VanDerWaalsContact CA-O 3.27Å; S724-I732 WeakPolarHBondContact CA-O 3.33Å; S724-I732 WeakPolarHBondContact CB-O 3.38Å; K725-I732 PolarHBondContact N-O 2.73Å; K725-I732 PolarHBondContact O-N 3.12Å; N727-I732 HydrophobicContact CB-CD1 3.67Å; N727-I732 HydrophobicContact CB-CG1 3.98Å; N727-I732 WeakPolarHBondContact ND2-CD1 3.38Å; V730-I732 HydrophobicContact CG2-CD1 4.11Å; V730-I732 HydrophobicContact CG2-CG1 3.84Å; V730-I732 PolarHBondContact O-N 2.93Å
733	C	83	Confident	75.7	Confident	22 Å²	22	86.3 Å²	86.3	15%	0.149	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-61.6	141.4	172	-68.6	0	0	0	0	112.5	P710 T737 C744	P710-C733 VanDerWaalsContact CB-SG 3.55Å; C733-T737 VanDerWaalsContact CB-OG1 3.23Å; C733-T737 WeakPolarHBondContact CB-OG1 3.5Å; C733-C744 WeakPolarHBondContact CA-SG 3.4Å; C733-C744 HydrophobicContact CB-CB 3.6Å; C733-C744 WeakPolarHBondContact CB-SG 3.25Å; C733-C744 WeakPolarHBondContact SG-CA 3.43Å; C733-C744 WeakPolarHBondContact SG-CB 3.33Å; C733-C744 CovalentContact SG-SG 2.03Å; C733-C744 PolarHBondContact SG-SG 2.76Å
734	P	81	Confident	75.4	Confident	57 Å²	57	80.4 Å²	80.4	37%	0.37	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-60.6	158.4	-179.2	21.8	-29.6	0	0	0	112.1	D723 N736 T737	D723-P734 WeakPolarHBondContact O-CD 3.45Å; P734-N736 PolarHBondContact O-N 3.18Å; P734-T737 WeakPolarHBondContact CD-OG1 3.14Å; P734-T737 HydrophobicContact CG-CG2 4.13Å; P734-T737 PolarHBondContact O-N 3.34Å; P734-T737 VanDerWaalsContact O-N 3.15Å; P734-T737 PolarHBondContact O-OG1 2.86Å
735	K	73.4	Confident	74.5	Confident	201 Å²	201	83.1 Å²	83.1	87%	0.874	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	137.5	178	-74.1	-175.1	177	-178.3	0	110.1
736	N	65.3	Low	73.4	Confident	124 Å²	124	76.3 Å²	76.3	66%	0.663	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	31.6	-173.7	-50	-22	0	0	0	114.8	P734 P746 N747	P734-N736 PolarHBondContact O-N 3.18Å; N736-P746 CarbonylContact O-C 2.88Å; N736-P746 VanDerWaalsContact O-CA 3.26Å; N736-P746 WeakPolarHBondContact O-CA 3.41Å; N736-N747 PolarHBondContact O-N 2.87Å
737	T	70.1	Confident	71.8	Confident	30 Å²	30	77.8 Å²	77.8	18%	0.184	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	143.3	168	57.8	0	0	0	0	111.6	C733 P734 L745 P746 N747	C733-T737 VanDerWaalsContact CB-OG1 3.23Å; C733-T737 WeakPolarHBondContact CB-OG1 3.5Å; P734-T737 WeakPolarHBondContact CD-OG1 3.14Å; P734-T737 HydrophobicContact CG-CG2 4.13Å; P734-T737 PolarHBondContact O-N 3.34Å; P734-T737 VanDerWaalsContact O-N 3.15Å; P734-T737 PolarHBondContact O-OG1 2.86Å; T737-L745 CarbonylContact C-O 3.53Å; T737-L745 VanDerWaalsContact C-O 3.24Å; T737-L745 WeakPolarHBondContact CA-O 3.41Å; T737-L745 WeakPolarHBondContact CB-O 3.16Å; T737-P746 HydrophobicContact CG2-CB 4.5Å; T737-P746 HydrophobicContact CG2-CG 4.33Å; T737-N747 WeakPolarHBondContact CA-OD1 3.33Å; T737-N747 PolarHBondContact N-OD1 3.46Å; T737-N747 PolarHBondContact O-OD1 2.9Å; T737-N747 VanDerWaalsContact O-OD1 3.14Å
738	I	67.1	Low	69.9	Low	87 Å²	87	77.4 Å²	77.4	45%	0.446	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	146.2	172.3	54.7	171.7	0	0	0	110.1	W740 L745 N747	I738-W740 PolarHBondContact O-N 2.86Å; I738-L745 HydrophobicContact CG1-CB 4.21Å; I738-L745 PolarHBondContact N-O 2.75Å; I738-L745 PolarHBondContact O-N 2.68Å; I738-N747 WeakPolarHBondContact CG2-OD1 3.49Å; I738-N747 PolarHBondContact N-OD1 3.17Å
739	L	60.9	Low	67.9	Low	92 Å²	92	78.3 Å²	78.3	48%	0.482	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	119.2	171	178.8	66.6	0	0	0	109.7	P710	P710-L739 HydrophobicContact CB-CD1 3.56Å; P710-L739 WeakPolarHBondContact O-CD1 3.28Å
740	W	54.3	Low	65.8	Low	179 Å²	179	76.4 Å²	76.4	68%	0.678	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.1	112.2	171.1	-174	-93.8	0	0	0	110.1	I738 Q742 N743 L745	I738-W740 PolarHBondContact O-N 2.86Å; W740-Q742 PolarHBondContact O-N 3.4Å; W740-Q742 VanDerWaalsContact O-N 3.09Å; W740-N743 PolarHBondContact N-O 3.07Å; W740-N743 PolarHBondContact O-N 3.39Å; W740-L745 HydrophobicContact CB-CD1 3.5Å; W740-L745 HydrophobicContact CB-CG 4.07Å; W740-L745 HydrophobicContact CG-CD1 3.8Å
741	Y	58.8	Low	63.7	Low	163 Å²	163	79 Å²	79	64%	0.639	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	-109.2	-172.1	-159.8	-104.5	0	0	0	111.7
742	Q	62.6	Low	61.5	Low	38 Å²	38	82.6 Å²	82.6	18%	0.178	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	21.1	-179.4	-71.5	-178.9	-30.6	0	0	112.5	F709 P710 W740	F709-Q742 HydrophobicContact CB-CB 4.16Å; F709-Q742 HydrophobicContact CB-CG 4.21Å; F709-Q742 HydrophobicContact CD1-CB 3.69Å; F709-Q742 HydrophobicContact CD1-CG 4.26Å; F709-Q742 HydrophobicContact CD2-CG 4.44Å; F709-Q742 HydrophobicContact CE1-CB 4.24Å; F709-Q742 HydrophobicContact CG-CB 3.94Å; F709-Q742 HydrophobicContact CG-CG 4.05Å; P710-Q742 WeakPolarHBondContact CD-O 3.01Å; W740-Q742 PolarHBondContact O-N 3.4Å; W740-Q742 VanDerWaalsContact O-N 3.09Å
743	N	63.6	Low	58.9	Low	93 Å²	93	81.8 Å²	81.8	50%	0.497	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	155.6	-179.1	-80.2	-40.5	0	0	0	112.8	A722 W740	A722-N743 HydrophobicContact CB-CB 4.48Å; A722-N743 WeakPolarHBondContact CB-OD1 2.98Å; W740-N743 PolarHBondContact N-O 3.07Å; W740-N743 PolarHBondContact O-N 3.39Å
744	C	69.7	Low	56.3	Low	18 Å²	18	84.5 Å²	84.5	12%	0.122	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	105.7	171.4	-61	0	0	0	0	110.5	P710 A722 C733	P710-C744 WeakPolarHBondContact CB-SG 3.13Å; P710-C744 WeakPolarHBondContact CG-SG 3.4Å; A722-C744 PolarHBondContact O-SG 3.19Å; C733-C744 WeakPolarHBondContact CA-SG 3.4Å; C733-C744 HydrophobicContact CB-CB 3.6Å; C733-C744 WeakPolarHBondContact CB-SG 3.25Å; C733-C744 WeakPolarHBondContact SG-CA 3.43Å; C733-C744 WeakPolarHBondContact SG-CB 3.33Å; C733-C744 CovalentContact SG-SG 2.03Å; C733-C744 PolarHBondContact SG-SG 2.76Å
745	L	63.8	Low	54	Low	66 Å²	66	82.6 Å²	82.6	35%	0.346	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	137.8	177	-67.1	178.3	0	0	0	110.1	T737 I738 W740 N747	T737-L745 CarbonylContact C-O 3.53Å; T737-L745 VanDerWaalsContact C-O 3.24Å; T737-L745 WeakPolarHBondContact CA-O 3.41Å; T737-L745 WeakPolarHBondContact CB-O 3.16Å; I738-L745 HydrophobicContact CG1-CB 4.21Å; I738-L745 PolarHBondContact N-O 2.75Å; I738-L745 PolarHBondContact O-N 2.68Å; W740-L745 HydrophobicContact CB-CD1 3.5Å; W740-L745 HydrophobicContact CB-CG 4.07Å; W740-L745 HydrophobicContact CG-CD1 3.8Å; L745-N747 PolarHBondContact O-N 3.14Å
746	P	64.4	Low	51.9	Low	24 Å²	24	77.7 Å²	77.7	16%	0.156	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.7	134.2	173.6	-30.1	37.4	0	0	0	114.2	N736 T737 D748 V751 V752	N736-P746 CarbonylContact O-C 2.88Å; N736-P746 VanDerWaalsContact O-CA 3.26Å; N736-P746 WeakPolarHBondContact O-CA 3.41Å; T737-P746 HydrophobicContact CG2-CB 4.5Å; T737-P746 HydrophobicContact CG2-CG 4.33Å; P746-D748 WeakPolarHBondContact CB-O 3.32Å; P746-D748 CarbonylContact O-C 3.45Å; P746-D748 PolarHBondContact O-N 2.79Å; P746-V751 HydrophobicContact CB-CB 3.81Å; P746-V751 HydrophobicContact CB-CG1 4.45Å; P746-V751 HydrophobicContact CB-CG2 4.37Å; P746-V751 HydrophobicContact CG-CB 4.04Å; P746-V751 HydrophobicContact CG-CG1 4.3Å; P746-V752 HydrophobicContact CB-CG2 4.38Å; P746-V752 HydrophobicContact CG-CB 4.48Å; P746-V752 HydrophobicContact CG-CG1 3.79Å; P746-V752 HydrophobicContact CG-CG2 4.11Å
747	N	53.5	Low	50.1	Low	87 Å²	87	76.6 Å²	76.6	47%	0.465	43%	0.434	S	S	.	.	S	Bend	trans	-59.6	-30.9	174.5	-82.6	-1.5	0	0	0	111.1	N736 T737 I738 L745 P749	N736-N747 PolarHBondContact O-N 2.87Å; T737-N747 WeakPolarHBondContact CA-OD1 3.33Å; T737-N747 PolarHBondContact N-OD1 3.46Å; T737-N747 PolarHBondContact O-OD1 2.9Å; T737-N747 VanDerWaalsContact O-OD1 3.14Å; I738-N747 WeakPolarHBondContact CG2-OD1 3.49Å; I738-N747 PolarHBondContact N-OD1 3.17Å; L745-N747 PolarHBondContact O-N 3.14Å; N747-P749 VanDerWaalsContact O-CD 3.24Å; N747-P749 WeakPolarHBondContact O-CD 3.43Å
748	D	51.8	Low	48.2	Very low	82 Å²	82	77.1 Å²	77.1	44%	0.439	45%	0.445	S	S	.	.	S	Bend	trans	-93.9	103.4	166.9	-177.9	0	0	0	0	107.8	P746 S750 V751	P746-D748 WeakPolarHBondContact CB-O 3.32Å; P746-D748 CarbonylContact O-C 3.45Å; P746-D748 PolarHBondContact O-N 2.79Å; D748-S750 PolarHBondContact O-N 3.16Å; D748-S750 WeakPolarHBondContact OD1-CB 3.26Å; D748-S750 PolarHBondContact OD1-N 3.02Å; D748-S750 PolarHBondContact OD1-OG 3.41Å; D748-S750 PolarHBondContact OD2-OG 2.67Å; D748-V751 HydrophobicContact CB-CG2 3.94Å; D748-V751 WeakPolarHBondContact O-CG2 3.24Å; D748-V751 PolarHBondContact O-N 3.03Å; D748-V751 VanDerWaalsContact O-N 3.07Å
749	P	40.5	Very low	46.3	Very low	69 Å²	69	79.5 Å²	79.5	45%	0.448	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-56.6	-19.4	179.5	22.4	-31.3	0	0	0	111.7	N747 V751 V752 G753 F754	N747-P749 VanDerWaalsContact O-CD 3.24Å; N747-P749 WeakPolarHBondContact O-CD 3.43Å; P749-V751 PolarHBondContact O-N 3.44Å; P749-V751 VanDerWaalsContact O-N 3.14Å; P749-V752 WeakPolarHBondContact O-CG2 3.14Å; P749-V752 PolarHBondContact O-N 2.98Å; P749-G753 PolarHBondContact O-N 3.22Å; P749-F754 CarbonylContact C-O 3.6Å; P749-F754 HydrophobicContact CB-CB 3.54Å; P749-F754 WeakPolarHBondContact CB-O 3.38Å; P749-F754 WeakPolarHBondContact CG-O 2.93Å; P749-F754 CarbonylContact O-C 3.42Å; P749-F754 WeakPolarHBondContact O-CA 3.36Å; P749-F754 VanDerWaalsContact O-CB 3.26Å; P749-F754 WeakPolarHBondContact O-CB 3.11Å; P749-F754 PolarHBondContact O-N 3.36Å
750	S	40.1	Very low	44.6	Very low	41 Å²	41	78.3 Å²	78.3	29%	0.287	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-59.4	-26.5	176.3	85.5	0	0	0	0	114.3	D748 G753 F754	D748-S750 PolarHBondContact O-N 3.16Å; D748-S750 WeakPolarHBondContact OD1-CB 3.26Å; D748-S750 PolarHBondContact OD1-N 3.02Å; D748-S750 PolarHBondContact OD1-OG 3.41Å; D748-S750 PolarHBondContact OD2-OG 2.67Å; S750-G753 PolarHBondContact O-N 3.27Å; S750-F754 VanDerWaalsContact CA-C 3.45Å; S750-F754 WeakPolarHBondContact CA-O 3.41Å; S750-F754 PolarHBondContact N-O 2.79Å
751	V	41.1	Very low	43.3	Very low	105 Å²	105	76.4 Å²	76.4	64%	0.636	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-80.7	-18.1	-175	-167.2	0	0	0	0	112.3	P746 D748 P749	P746-V751 HydrophobicContact CB-CB 3.81Å; P746-V751 HydrophobicContact CB-CG1 4.45Å; P746-V751 HydrophobicContact CB-CG2 4.37Å; P746-V751 HydrophobicContact CG-CB 4.04Å; P746-V751 HydrophobicContact CG-CG1 4.3Å; D748-V751 HydrophobicContact CB-CG2 3.94Å; D748-V751 WeakPolarHBondContact O-CG2 3.24Å; D748-V751 PolarHBondContact O-N 3.03Å; D748-V751 VanDerWaalsContact O-N 3.07Å; P749-V751 PolarHBondContact O-N 3.44Å; P749-V751 VanDerWaalsContact O-N 3.14Å
752	V	38.1	Very low	41.6	Very low	76 Å²	76	77.2 Å²	77.2	46%	0.461	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-108.5	18.4	170.2	-87.2	0	0	0	0	112.2	P746 P749	P746-V752 HydrophobicContact CB-CG2 4.38Å; P746-V752 HydrophobicContact CG-CB 4.48Å; P746-V752 HydrophobicContact CG-CG1 3.79Å; P746-V752 HydrophobicContact CG-CG2 4.11Å; P749-V752 WeakPolarHBondContact O-CG2 3.14Å; P749-V752 PolarHBondContact O-N 2.98Å
753	G	32.9	Very low	39.9	Very low	63 Å²	63	82.7 Å²	82.7	65%	0.649	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	94	7.7	175.5	0	0	0	0	0	115.5	P749 S750	P749-G753 PolarHBondContact O-N 3.22Å; S750-G753 PolarHBondContact O-N 3.27Å
754	F	28.7	Very low	38.1	Very low	79 Å²	79	83.7 Å²	83.7	35%	0.346	51%	0.508	S	S	.	.			trans	-111.8	69.7	179.6	-73.4	-83.9	0	0	0	112	K35 P749 S750	K35-F754 HydrophobicContact CB-CE1 4.07Å; K35-F754 HydrophobicContact CD-CD1 4.07Å; K35-F754 HydrophobicContact CD-CE1 4.22Å; P749-F754 CarbonylContact C-O 3.6Å; P749-F754 HydrophobicContact CB-CB 3.54Å; P749-F754 WeakPolarHBondContact CB-O 3.38Å; P749-F754 WeakPolarHBondContact CG-O 2.93Å; P749-F754 CarbonylContact O-C 3.42Å; P749-F754 WeakPolarHBondContact O-CA 3.36Å; P749-F754 VanDerWaalsContact O-CB 3.26Å; P749-F754 WeakPolarHBondContact O-CB 3.11Å; P749-F754 PolarHBondContact O-N 3.36Å; S750-F754 VanDerWaalsContact CA-C 3.45Å; S750-F754 WeakPolarHBondContact CA-O 3.41Å; S750-F754 PolarHBondContact N-O 2.79Å
755	G	33.7	Very low	35.9	Very low	18 Å²	18	90.4 Å²	90.4	19%	0.186	54%	0.542	C	S	.	.	S	Bend	trans	178.5	166.1	173.2	0	0	0	0	0	115.2	A757 G758	G755-A757 PolarHBondContact O-N 3.08Å; G755-G758 PolarHBondContact O-N 3.43Å
756	P	28.1	Very low	34.2	Very low	97 Å²	97	94 Å²	94	63%	0.63	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	12.6	-149.9	-15.1	30.4	0	0	0	116.9	R762	P756-R762 HydrophobicContact CB-CB 4.48Å
757	A	28.1	Very low	32.4	Very low	102 Å²	102	101.9 Å²	101.9	84%	0.843	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133	2.8	-176	0	0	0	0	0	115	G755	G755-A757 PolarHBondContact O-N 3.08Å
758	G	31.2	Very low	31.2	Very low	40 Å²	40	101.1 Å²	101.1	41%	0.412	61%	0.607	S	S	.	*	S	Bend	trans	-89.1	165.7	153.4	0	0	0	0	0	109.3	G755 A760	G755-G758 PolarHBondContact O-N 3.43Å; G758-A760 PolarHBondContact O-N 3.04Å
759	P	26.7	Very low	30.2	Very low	137 Å²	137	102.7 Å²	102.7	89%	0.89	63%	0.625	S	S	*	*	S	Bend	trans	-71.6	80.7	-175.7	32.4	-33	0	0	0	110.2
760	A	25.3	Very low	29.7	Very low	67 Å²	67	108.9 Å²	108.9	55%	0.554	65%	0.648	S	S	*	*	S	Bend	trans	177	112.2	148.5	0	0	0	0	0	111.3	G758	G758-A760 PolarHBondContact O-N 3.04Å
761	I	27	Very low	29.2	Very low	140 Å²	140	114.2 Å²	114.2	72%	0.718	67%	0.673	S	S	*	*			trans	64.7	98.7	142.7	-52.3	164.1	0	0	0	117.9
762	R	22.7	Very low	28.8	Very low	179 Å²	179	115.3 Å²	115.3	68%	0.675	68%	0.68	S	S	*	*			trans	-66.8	125.3	157.8	-171.6	-179.7	177.9	177.8	-0.6	110.3	P756 D764	P756-R762 HydrophobicContact CB-CB 4.48Å; R762-D764 IonicContact CZ-OD2 3.13Å; R762-D764 IonicContact NE-OD2 2.79Å; R762-D764 PolarHBondContact NE-OD2 3.06Å; R762-D764 IonicContact NH2-OD2 2.79Å; R762-D764 PolarHBondContact NH2-OD2 3.04Å
763	L	25.8	Very low	28.5	Very low	154 Å²	154	120.2 Å²	120.2	81%	0.806	70%	0.698	S	S	*	*			trans	-110.7	92.9	161.2	-82.6	165.7	0	0	0	107.4
764	D	26.1	Very low	28.6	Very low	113 Å²	113	126.8 Å²	126.8	60%	0.604	71%	0.709	S	S	*	*			trans	-74.4	136.7	160.6	-88.1	-33.5	0	0	0	108.7	R762	R762-D764 IonicContact CZ-OD2 3.13Å; R762-D764 IonicContact NE-OD2 2.79Å; R762-D764 PolarHBondContact NE-OD2 3.06Å; R762-D764 IonicContact NH2-OD2 2.79Å; R762-D764 PolarHBondContact NH2-OD2 3.04Å
765	L	24.5	Very low	28.8	Very low	159 Å²	159	128.8 Å²	128.8	83%	0.832	73%	0.729	S	S	*	*			trans	-75.8	124.6	170.5	-92.5	159.4	0	0	0	109.8
766	I	27.6	Very low	28.5	Very low	141 Å²	141	135.5 Å²	135.5	72%	0.723	76%	0.759	S	S	*	*			trans	89.9	116.9	148.4	-52.3	157.4	0	0	0	117.1
767	E	26.9	Very low	28.7	Very low	191 Å²	191	137.2 Å²	137.2	89%	0.893	77%	0.768	S	S	*	*				-164.4	108.9	113.3	-105.9	179.1	-172	0	0	112
768	G	28.2	Very low	28.9	Very low	70 Å²	70	137.3 Å²	137.3	72%	0.722	76%	0.763	S	S	*	*			trans	-99.4	106.4	156.5	0	0	0	0	0	108.1
769	S	30.2	Very low	29	Very low	115 Å²	115	139.3 Å²	139.3	80%	0.804	78%	0.775	S	S	*	*			trans	3.4	108.8	166.1	63.2	0	0	0	0	118.4
770	E	30.1	Very low	29.2	Very low	200 Å²	200	142.2 Å²	142.2	94%	0.935	78%	0.777	S	S	*	*			trans	-103	116.5	145	-84	-166.9	163.3	0	0	109.3
771	N	31.1	Very low	29.3	Very low	153 Å²	153	142 Å²	142	82%	0.818	78%	0.781	S	S	*	*			trans	-106.9	98	169.8	-156.9	7.6	0	0	0	106.7
772	T	31.5	Very low	29.3	Very low	127 Å²	127	141.7 Å²	141.7	78%	0.779	79%	0.786	S	S	*	*			trans	-174.7	122.7	132.8	18.7	0	0	0	0	113.9
773	Q	32.9	Very low	29.4	Very low	180 Å²	180	139.8 Å²	139.8	84%	0.841	79%	0.788	S	S	*	*			trans	93.3	85.5	150.7	-63.2	-179.6	2.5	0	0	121.3
774	K	33.4	Very low	29.3	Very low	201 Å²	201	139.5 Å²	139.5	87%	0.874	79%	0.785	S	S	*	*				62.7	150.3	116.6	-87.5	-172.9	179.1	-179.4	0	121.5
775	P	33.5	Very low	29.1	Very low	120 Å²	120	138.7 Å²	138.7	78%	0.779	79%	0.794	S	S	*	*				-135.3	169.6	-60.9	33	-10.9	0	0	0	114
776	I	27.1	Very low	29	Very low	159 Å²	159	135.8 Å²	135.8	82%	0.815	79%	0.793	S	S	*	*			trans	-53.5	144.7	179.2	-62.5	155.2	0	0	0	115.6
777	T	33.9	Very low	28.8	Very low	133 Å²	133	134.8 Å²	134.8	82%	0.816	79%	0.794	S	S	*	*			trans	-137.6	119.4	141.1	34.1	0	0	0	0	111.7
778	S	32	Very low	28.6	Very low	105 Å²	105	134.1 Å²	134.1	73%	0.734	79%	0.788	S	S	*	*			trans	31.6	147.6	143.9	63.7	0	0	0	0	121.3
779	A	32.6	Very low	28.4	Very low	81 Å²	81	138.9 Å²	138.9	67%	0.669	79%	0.789	S	S	*	*			cis	-176.8	157.8	-0.1	0	0	0	0	0	107.6
780	H	31.6	Very low	28.3	Very low	199 Å²	199	139.7 Å²	139.7	92%	0.921	79%	0.785	S	S	*	*			trans	9.4	138.5	151.3	-56.1	-74.8	0	0	0	119.4
781	G	27.4	Very low	28.2	Very low	62 Å²	62	138 Å²	138	64%	0.639	78%	0.777	S	S	*	*			cis	151.5	153.4	10.6	0	0	0	0	0	109.2
782	T	26.7	Very low	28.3	Very low	134 Å²	134	138.4 Å²	138.4	82%	0.822	77%	0.774	S	S	*	*			trans	81.3	130.4	155.2	-43.2	0	0	0	0	116.5
783	I	23.9	Very low	28.2	Very low	139 Å²	139	137.1 Å²	137.1	71%	0.713	77%	0.766	S	S	*	*			cis	-175	149.1	-13.7	-115.3	172.3	0	0	0	106.6
784	I	24.4	Very low	28	Very low	148 Å²	148	136.5 Å²	136.5	76%	0.759	77%	0.768	S	S	*	*			trans	78.5	102.4	156.6	-62.6	164.8	0	0	0	120.9
785	A	22.2	Very low	27.8	Very low	95 Å²	95	133.6 Å²	133.6	79%	0.785	76%	0.757	S	S	*	*				38.1	114.9	128.1	0	0	0	0	0	121.5
786	A	22.5	Very low	27.8	Very low	99 Å²	99	135.4 Å²	135.4	82%	0.818	75%	0.753	S	S	*	*				-167.5	139.8	109.1	0	0	0	0	0	109.9
787	T	22.7	Very low	28.1	Very low	120 Å²	120	137.1 Å²	137.1	74%	0.736	75%	0.754	S	S	*	*			trans	-45.5	147.2	172	40.3	0	0	0	0	115.3
788	F	23.4	Very low	28.1	Very low	176 Å²	176	135.2 Å²	135.2	77%	0.772	75%	0.752	S	S	*	*				-177.1	122.9	121.6	-101.9	-85.2	0	0	0	110.8
789	F	24.1	Very low	28.1	Very low	170 Å²	170	138 Å²	138	75%	0.746	76%	0.759	S	S	*	*			trans	42	153.7	134.6	-72.6	-104.9	0	0	0	121.5
790	D	26.4	Very low	28.3	Very low	132 Å²	132	139.4 Å²	139.4	71%	0.706	76%	0.761	S	S	*	*			cis	172.8	-175.7	-12	-164.5	2.2	0	0	0	105.7
791	E	29.2	Very low	28.7	Very low	166 Å²	166	136.6 Å²	136.6	78%	0.776	76%	0.758	S	S	*	*			trans	90.7	129.6	168	-67.2	-173.6	159.5	0	0	116.4
792	E	31.8	Very low	29.4	Very low	160 Å²	160	142 Å²	142	75%	0.748	80%	0.797	S	S	*	*			cis	-164.6	155.3	32.1	-133	178.8	165.1	0	0	107.1
793	T	31.4	Very low	29.6	Very low	101 Å²	101	142.5 Å²	142.5	62%	0.62	80%	0.795	S	S	*	*			cis	-164.5	145.2	21.3	-19.9	0	0	0	0	107.3
794	L	28.6	Very low	29.9	Very low	166 Å²	166	142.6 Å²	142.6	87%	0.869	80%	0.8	S	S	*	*				-163.5	114.4	101.3	-98.5	162	0	0	0	112.1
795	E	29.1	Very low	30.2	Very low	140 Å²	140	142.3 Å²	142.3	65%	0.654	80%	0.802	S	S	*	*			trans	-11.5	125.6	149.7	-79	-170.2	156.4	0	0	119
796	K	32.2	Very low	30.6	Very low	159 Å²	159	145.1 Å²	145.1	69%	0.691	80%	0.803	S	S	*	*				160.2	130.2	95.6	-107.1	153.5	-178.3	133.8	0	114.2
797	K	33.5	Very low	31.1	Very low	194 Å²	194	148 Å²	148	84%	0.843	80%	0.802	S	S	*	*			trans	72.8	104.5	151.1	-65.4	-178.2	177	-176.8	0	118
798	A	34.8	Very low	31.7	Very low	94 Å²	94	149.9 Å²	149.9	78%	0.777	81%	0.807	S	S	*	*				87.3	97.8	71.8	0	0	0	0	0	114.3
799	N	31.5	Very low	32.3	Very low	162 Å²	162	148 Å²	148	87%	0.866	81%	0.809	S	S	*	*				154.6	138.5	103.6	-116.1	-2.1	0	0	0	112.1
800	P	37.2	Very low	32.9	Very low	112 Å²	112	146.3 Å²	146.3	73%	0.727	81%	0.814	S	S	*	*			trans	-116.4	-176.9	-178.4	40.6	-28.4	0	0	0	114.9
801	V	40	Very low	33.5	Very low	140 Å²	140	147.5 Å²	147.5	85%	0.848	82%	0.823	S	S	*	*			trans	122.9	100.5	152.8	-173.2	0	0	0	0	114.5
802	A	42.4	Very low	33.9	Very low	176 Å²	176	145.8 Å²	145.8	100%	1.455	83%	0.827	S	S	*	*				169.6	0	122.2	0	0	0	0	0	109.9

Retrieved 802 of 802 residues in 579.7 ms (Link to these results)

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