A0A077YVR2_TRITR Loading...

Tyrosine-protein kinase

AlphaFold DB , UniProt , Accession A0A077YVR2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 619 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34	Very low	72.6	Confident	247 Å²	247	118.8 Å²	118.8	100%	1.217	58%	0.577	S	S	*	*				0	142.7	0	-73	169.7	168	0	0	107.6
2	S	55.5	Low	72.4	Confident	109 Å²	109	122.1 Å²	122.1	76%	0.762	59%	0.591	S	S	*	*			trans	-104.1	133.1	179	39.3	0	0	0	0	111.1
3	D	68.2	Low	71.9	Confident	132 Å²	132	117.3 Å²	117.3	71%	0.706	58%	0.577	S	S	*	*			trans	-69.5	132.8	172.9	-68.8	-28.6	0	0	0	110.1
4	Q	74.8	Confident	71.9	Confident	138 Å²	138	111.8 Å²	111.8	65%	0.645	57%	0.566	S	S	*	*			trans	-82.3	128.8	172.5	-69	-172	0.5	0	0	110.5
5	V	77.2	Confident	71.2	Confident	50 Å²	50	108.2 Å²	108.2	30%	0.303	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	141.3	175.9	-58.9	0	0	0	0	110.9	A19 S20 T21 I43	V5-A19 HydrophobicContact CB-CB 4.09Å; V5-A19 HydrophobicContact CG2-CB 4.17Å; V5-S20 CarbonylContact C-O 3.51Å; V5-S20 WeakPolarHBondContact CA-O 3.47Å; V5-T21 HydrophobicContact CG1-CG2 4.13Å; V5-I43 HydrophobicContact CG2-CG2 3.94Å
6	R	82.5	Confident	71	Confident	193 Å²	193	107.3 Å²	107.3	73%	0.728	54%	0.536	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.5	169.3	-179.5	-178.3	-68.3	-147.4	-0.8	108.5	L8 A19 S20	R6-L8 HydrophobicContact CG-CD2 4.5Å; R6-A19 CarbonylContact O-C 3.53Å; R6-A19 VanDerWaalsContact O-CA 3.24Å; R6-A19 WeakPolarHBondContact O-CA 3.44Å; R6-S20 PolarHBondContact N-O 3.4Å; R6-S20 PolarHBondContact O-N 3.19Å
7	V	82.8	Confident	71.2	Confident	49 Å²	49	100.9 Å²	100.9	30%	0.297	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	134.8	168.6	-177.5	0	0	0	0	108.9	Y10 C17 I43	V7-Y10 HydrophobicContact CG1-CE2 4.04Å; V7-C17 HydrophobicContact CG1-CB 3.86Å; V7-I43 HydrophobicContact CG2-CD1 3.4Å; V7-I43 VanDerWaalsContact CG2-CD1 3.4Å
8	L	82.7	Confident	71.8	Confident	82 Å²	82	100.7 Å²	100.7	43%	0.429	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	-47.2	177.9	-55.4	178.2	0	0	0	110.6	R6 R18 I35	R6-L8 HydrophobicContact CG-CD2 4.5Å; L8-R18 WeakPolarHBondContact CB-O 3.01Å; L8-R18 HydrophobicContact CD1-CG 4.47Å; L8-R18 PolarHBondContact N-O 2.84Å; L8-I35 HydrophobicContact CD1-CD1 4.45Å; L8-I35 HydrophobicContact CD1-CG2 3.8Å
9	Y	85.2	Confident	72.3	Confident	105 Å²	105	95.7 Å²	95.7	41%	0.412	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166	165.1	174.5	60.1	-88.6	0	0	0	110.9	C17 R18 W37	Y9-C17 CarbonylContact O-C 3.59Å; Y9-C17 WeakPolarHBondContact O-CA 3.41Å; Y9-R18 HydrophobicContact CD1-CB 4.31Å; Y9-R18 HydrophobicContact CE1-CB 4Å; Y9-R18 HydrophobicContact CE1-CG 4.34Å; Y9-R18 HydrophobicContact CE2-CB 4.32Å; Y9-R18 VanDerWaalsContact CZ-CD 3.48Å; Y9-R18 PolarHBondContact O-N 3.38Å; Y9-R18 WeakPolarHBondContact OH-CD 3.46Å; Y9-R18 PolarHBondContact OH-NH1 3.07Å; Y9-W37 HydrophobicContact CD2-CH2 4.3Å; Y9-W37 AromaticContact CE2-CH2 3.6Å; Y9-W37 HydrophobicContact CE2-CH2 3.6Å; Y9-W37 HydrophobicContact CE2-CZ2 4.1Å; Y9-W37 HydrophobicContact CE2-CZ3 4.46Å
10	Y	79.1	Confident	72.8	Confident	121 Å²	121	92.2 Å²	92.2	48%	0.475	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	152.4	176.4	-68	-88.9	0	0	0	111.9	V7 C17	V7-Y10 HydrophobicContact CG1-CE2 4.04Å; Y10-C17 HydrophobicContact CD1-CB 3.54Å; Y10-C17 HydrophobicContact CE1-CB 3.69Å; Y10-C17 HydrophobicContact CG-CB 4.19Å
11	H	77.2	Confident	73	Confident	81 Å²	81	90.2 Å²	90.2	38%	0.375	45%	0.451	S	S	.	.			trans	-72.1	155	168.3	-175.1	-105.6	0	0	0	110.3	S13 G14 W16 W37	H11-S13 PolarHBondContact ND1-N 2.81Å; H11-S13 PolarHBondContact ND1-OG 3.15Å; H11-S13 PolarHBondContact O-N 3.31Å; H11-G14 PolarHBondContact O-N 2.83Å; H11-W16 HydrophobicContact CB-CB 3.99Å; H11-W16 WeakPolarHBondContact CB-O 3.3Å; H11-W16 PolarHBondContact N-O 2.91Å; H11-W37 HydrophobicContact CB-CH2 4.13Å; H11-W37 HydrophobicContact CB-CZ3 3.78Å
12	E	69.4	Low	74.4	Confident	158 Å²	158	80.3 Å²	80.3	74%	0.738	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-29.3	178.2	-67.5	167	-169.4	0	0	113.8	K601	E12-K601 IonicContact OE1-NZ 2.62Å; E12-K601 PolarHBondContact OE1-NZ 3.31Å; E12-K601 IonicContact OE2-NZ 2.7Å; E12-K601 PolarHBondContact OE2-NZ 3.43Å
13	S	66.4	Low	74.2	Confident	60 Å²	60	79 Å²	79	42%	0.42	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-2	179.6	70.5	0	0	0	0	115.2	H11 D15	H11-S13 PolarHBondContact ND1-N 2.81Å; H11-S13 PolarHBondContact ND1-OG 3.15Å; H11-S13 PolarHBondContact O-N 3.31Å; S13-D15 PolarHBondContact O-N 3.2Å; S13-D15 PolarHBondContact OG-OD2 3.21Å
14	G	71.4	Confident	73.3	Confident	40 Å²	40	78 Å²	78	41%	0.412	39%	0.394	S	S	.	.	S	Bend	trans	69.2	-30.7	-173.4	0	0	0	0	0	115.4	H11 W16 S40	H11-G14 PolarHBondContact O-N 2.83Å; G14-W16 PolarHBondContact O-N 3.36Å; G14-S40 VanDerWaalsContact O-CB 3.29Å; G14-S40 WeakPolarHBondContact O-CB 3.33Å; G14-S40 PolarHBondContact O-OG 3.06Å
15	D	62.4	Low	71.7	Confident	58 Å²	58	75.4 Å²	75.4	31%	0.31	40%	0.396	S	S	.	.	S	Bend	trans	-55.9	-25.6	-176.2	-63.7	-46.3	0	0	0	114.8	S13 P39 S40 R190	S13-D15 PolarHBondContact O-N 3.2Å; S13-D15 PolarHBondContact OG-OD2 3.21Å; D15-P39 WeakPolarHBondContact O-CA 3.22Å; D15-S40 PolarHBondContact O-N 2.76Å; D15-R190 VanDerWaalsContact CG-NH1 3.3Å; D15-R190 IonicContact OD1-CZ 2.78Å; D15-R190 IonicContact OD1-NH1 2.61Å; D15-R190 PolarHBondContact OD1-NH1 3.2Å; D15-R190 IonicContact OD2-CZ 2.63Å; D15-R190 IonicContact OD2-NH1 2.61Å; D15-R190 PolarHBondContact OD2-NH1 3.06Å; D15-R190 IonicContact OD2-NH2 2.67Å; D15-R190 PolarHBondContact OD2-NH2 2.8Å
16	W	66.8	Low	69.9	Low	93 Å²	93	79 Å²	79	35%	0.352	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147.5	-176.4	-64.2	84.1	0	0	0	111.1	H11 G14 W37 V38 P39 S40 F160	H11-W16 HydrophobicContact CB-CB 3.99Å; H11-W16 WeakPolarHBondContact CB-O 3.3Å; H11-W16 PolarHBondContact N-O 2.91Å; G14-W16 PolarHBondContact O-N 3.36Å; W16-W37 HydrophobicContact CB-CE3 4Å; W16-W37 HydrophobicContact CB-CZ3 4.37Å; W16-W37 HydrophobicContact CE3-CB 4.19Å; W16-V38 WeakPolarHBondContact CA-O 3.27Å; W16-P39 HydrophobicContact CE3-CG 4.2Å; W16-P39 HydrophobicContact CH2-CG 3.95Å; W16-P39 HydrophobicContact CZ3-CG 3.76Å; W16-S40 WeakPolarHBondContact CA-OG 3.47Å; W16-S40 PolarHBondContact N-OG 2.78Å; W16-F160 HydrophobicContact CH2-CE1 4.07Å
17	C	75	Confident	68	Low	0 Å²	0	76.3 Å²	76.3	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	150.4	169.6	79.4	0	0	0	0	110.5	V7 Y9 Y10 W37 V38 S40 I43	V7-C17 HydrophobicContact CG1-CB 3.86Å; Y9-C17 CarbonylContact O-C 3.59Å; Y9-C17 WeakPolarHBondContact O-CA 3.41Å; Y10-C17 HydrophobicContact CD1-CB 3.54Å; Y10-C17 HydrophobicContact CE1-CB 3.69Å; Y10-C17 HydrophobicContact CG-CB 4.19Å; C17-W37 WeakPolarHBondContact O-CA 3.45Å; C17-V38 PolarHBondContact N-O 3.39Å; C17-V38 PolarHBondContact O-N 3.08Å; C17-V38 WeakPolarHBondContact SG-CG2 3.46Å; C17-S40 PolarHBondContact N-OG 3.15Å; C17-I43 WeakPolarHBondContact SG-CD1 3.22Å
18	R	81.3	Confident	66.3	Low	97 Å²	97	77.6 Å²	77.6	37%	0.366	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	122.9	172.6	-165	175.9	-178.7	-179.4	-2.5	107.6	L8 Y9 I35 G36 W37	L8-R18 WeakPolarHBondContact CB-O 3.01Å; L8-R18 HydrophobicContact CD1-CG 4.47Å; L8-R18 PolarHBondContact N-O 2.84Å; Y9-R18 HydrophobicContact CD1-CB 4.31Å; Y9-R18 HydrophobicContact CE1-CB 4Å; Y9-R18 HydrophobicContact CE1-CG 4.34Å; Y9-R18 HydrophobicContact CE2-CB 4.32Å; Y9-R18 VanDerWaalsContact CZ-CD 3.48Å; Y9-R18 PolarHBondContact O-N 3.38Å; Y9-R18 WeakPolarHBondContact OH-CD 3.46Å; Y9-R18 PolarHBondContact OH-NH1 3.07Å; R18-I35 HydrophobicContact CG-CG2 4.03Å; R18-G36 CarbonylContact C-O 3.47Å; R18-G36 WeakPolarHBondContact CA-O 3.47Å; R18-G36 WeakPolarHBondContact CG-O 3.38Å; R18-W37 HydrophobicContact CB-CD2 4.15Å; R18-W37 HydrophobicContact CB-CE3 3.96Å; R18-W37 HydrophobicContact CB-CH2 4.15Å; R18-W37 HydrophobicContact CB-CZ2 4.32Å; R18-W37 HydrophobicContact CB-CZ3 3.95Å; R18-W37 HydrophobicContact CG-CD2 4.46Å
19	A	82.2	Confident	64.5	Low	5 Å²	5	81.5 Å²	81.5	4%	0.041	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	151.8	-174.3	0	0	0	0	0	111.9	V5 R6 I35 G36 V38	V5-A19 HydrophobicContact CB-CB 4.09Å; V5-A19 HydrophobicContact CG2-CB 4.17Å; R6-A19 CarbonylContact O-C 3.53Å; R6-A19 VanDerWaalsContact O-CA 3.24Å; R6-A19 WeakPolarHBondContact O-CA 3.44Å; A19-I35 WeakPolarHBondContact O-CA 3.11Å; A19-G36 PolarHBondContact N-O 3.05Å; A19-G36 PolarHBondContact O-N 2.97Å; A19-V38 HydrophobicContact CB-CG2 3.99Å
20	S	82.4	Confident	62.7	Low	25 Å²	25	87.5 Å²	87.5	18%	0.175	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.7	172.4	-170.1	0	0	0	0	110.3	V5 R6	V5-S20 CarbonylContact C-O 3.51Å; V5-S20 WeakPolarHBondContact CA-O 3.47Å; R6-S20 PolarHBondContact N-O 3.4Å; R6-S20 PolarHBondContact O-N 3.19Å
21	T	77.1	Confident	61.1	Low	51 Å²	51	85.9 Å²	85.9	31%	0.313	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	149.6	164.9	45.9	0	0	0	0	110.4	V5 G33 R34	V5-T21 HydrophobicContact CG1-CG2 4.13Å; T21-G33 VanDerWaalsContact O-CA 3.31Å; T21-G33 WeakPolarHBondContact O-CA 3.07Å; T21-R34 PolarHBondContact N-O 3.15Å; T21-R34 PolarHBondContact OG1-N 3.41Å; T21-R34 PolarHBondContact OG1-O 2.89Å
22	G	62.4	Low	60.1	Low	39 Å²	39	87.2 Å²	87.2	40%	0.402	50%	0.496	S	S	.	.			trans	-65.9	152.4	173.6	0	0	0	0	0	112.2	H24	G22-H24 PolarHBondContact O-N 3.3Å
23	S	51.6	Low	59.8	Low	82 Å²	82	80.9 Å²	80.9	57%	0.573	47%	0.473	S	S	*	.			trans	-75.2	96.4	173.2	57.5	0	0	0	0	109.9	A25	S23-A25 PolarHBondContact O-N 2.94Å
24	H	49.4	Very low	60.3	Low	110 Å²	110	88 Å²	88	51%	0.509	49%	0.491	S	S	.	.			trans	-72.5	121.8	173.7	-79.1	-91.1	0	0	0	111	G22 L26	G22-H24 PolarHBondContact O-N 3.3Å; H24-L26 HydrophobicContact CB-CD1 4.05Å; H24-L26 HydrophobicContact CB-CG 4.21Å; H24-L26 PolarHBondContact O-N 3.17Å
25	A	40.7	Very low	60.6	Low	84 Å²	84	90.7 Å²	90.7	69%	0.694	49%	0.494	S	S	*	.			trans	-78.4	48.4	171.6	0	0	0	0	0	111.9	S23 T27	S23-A25 PolarHBondContact O-N 2.94Å; A25-T27 PolarHBondContact O-N 3.26Å
26	L	39.2	Very low	61.3	Low	126 Å²	126	89.5 Å²	89.5	66%	0.66	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-72.3	120.3	169.5	-72.8	161.8	0	0	0	107.7	H24	H24-L26 HydrophobicContact CB-CD1 4.05Å; H24-L26 HydrophobicContact CB-CG 4.21Å; H24-L26 PolarHBondContact O-N 3.17Å
27	T	43.9	Very low	61.9	Low	137 Å²	137	90.6 Å²	90.6	84%	0.84	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	68.8	22.5	178.6	73.2	0	0	0	0	117.7	A25 K29	A25-T27 PolarHBondContact O-N 3.26Å; T27-K29 PolarHBondContact O-N 3.3Å
28	G	47.2	Very low	61.6	Low	76 Å²	76	92.7 Å²	92.7	78%	0.784	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	73.9	-6.2	171.9	0	0	0	0	0	116
29	K	45.3	Very low	61	Low	163 Å²	163	89.9 Å²	89.9	71%	0.709	51%	0.507	S	S	*	.	S	Bend	trans	-90.7	124.7	166.6	-70.2	-178.3	177.7	177.9	0	109.7	T27 V31	T27-K29 PolarHBondContact O-N 3.3Å; K29-V31 PolarHBondContact O-N 3.18Å
30	R	45.9	Very low	60.4	Low	231 Å²	231	90.9 Å²	90.9	87%	0.872	51%	0.513	S	S	*	.			trans	-66.2	97.1	168.3	-83.6	-176.8	170.5	179.6	-2.5	109.1	P32	R30-P32 WeakPolarHBondContact O-CD 3.4Å
31	V	46.9	Very low	59.7	Low	87 Å²	87	94.4 Å²	94.4	53%	0.527	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-77.2	122.9	166.4	-175.8	0	0	0	0	107.7	K29 G33	K29-V31 PolarHBondContact O-N 3.18Å; V31-G33 PolarHBondContact O-N 3.21Å
32	P	55.8	Low	59.3	Low	109 Å²	109	100.1 Å²	100.1	71%	0.708	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-59.1	138.4	174.2	-23.1	34	0	0	0	110.7	R30 R34	R30-P32 WeakPolarHBondContact O-CD 3.4Å; P32-R34 PolarHBondContact O-N 3.03Å
33	G	62.4	Low	59.8	Low	25 Å²	25	100.8 Å²	100.8	26%	0.258	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-56	133.8	175	0	0	0	0	0	111.2	T21 V31	T21-G33 VanDerWaalsContact O-CA 3.31Å; T21-G33 WeakPolarHBondContact O-CA 3.07Å; V31-G33 PolarHBondContact O-N 3.21Å
34	R	76.1	Confident	60.6	Low	211 Å²	211	98.7 Å²	98.7	80%	0.796	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-73.5	128	171.6	-66.4	-175.5	179.7	-175.9	1	109.1	T21 P32	T21-R34 PolarHBondContact N-O 3.15Å; T21-R34 PolarHBondContact OG1-N 3.41Å; T21-R34 PolarHBondContact OG1-O 2.89Å; P32-R34 PolarHBondContact O-N 3.03Å
35	I	78.8	Confident	61.7	Low	96 Å²	96	97.9 Å²	97.9	49%	0.492	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	131.8	172.1	-57.9	173.3	0	0	0	108.6	L8 R18 A19	L8-I35 HydrophobicContact CD1-CD1 4.45Å; L8-I35 HydrophobicContact CD1-CG2 3.8Å; R18-I35 HydrophobicContact CG-CG2 4.03Å; A19-I35 WeakPolarHBondContact O-CA 3.11Å
36	G	77.6	Confident	63.2	Low	32 Å²	32	98.1 Å²	98.1	33%	0.33	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	179.1	-180	0	0	0	0	0	112.9	R18 A19	R18-G36 CarbonylContact C-O 3.47Å; R18-G36 WeakPolarHBondContact CA-O 3.47Å; R18-G36 WeakPolarHBondContact CG-O 3.38Å; A19-G36 PolarHBondContact N-O 3.05Å; A19-G36 PolarHBondContact O-N 2.97Å
37	W	78.5	Confident	64.6	Low	117 Å²	117	97.2 Å²	97.2	44%	0.443	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	133	170.5	-72.1	101.5	0	0	0	109.8	Y9 H11 W16 C17 R18	Y9-W37 HydrophobicContact CD2-CH2 4.3Å; Y9-W37 AromaticContact CE2-CH2 3.6Å; Y9-W37 HydrophobicContact CE2-CH2 3.6Å; Y9-W37 HydrophobicContact CE2-CZ2 4.1Å; Y9-W37 HydrophobicContact CE2-CZ3 4.46Å; H11-W37 HydrophobicContact CB-CH2 4.13Å; H11-W37 HydrophobicContact CB-CZ3 3.78Å; W16-W37 HydrophobicContact CB-CE3 4Å; W16-W37 HydrophobicContact CB-CZ3 4.37Å; W16-W37 HydrophobicContact CE3-CB 4.19Å; C17-W37 WeakPolarHBondContact O-CA 3.45Å; R18-W37 HydrophobicContact CB-CD2 4.15Å; R18-W37 HydrophobicContact CB-CE3 3.96Å; R18-W37 HydrophobicContact CB-CH2 4.15Å; R18-W37 HydrophobicContact CB-CZ2 4.32Å; R18-W37 HydrophobicContact CB-CZ3 3.95Å; R18-W37 HydrophobicContact CG-CD2 4.46Å
38	V	69.6	Low	65.8	Low	43 Å²	43	91.6 Å²	91.6	26%	0.261	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.6	173.4	-59.8	0	0	0	0	109.7	W16 C17 A19 S40 I43	W16-V38 WeakPolarHBondContact CA-O 3.27Å; C17-V38 PolarHBondContact N-O 3.39Å; C17-V38 PolarHBondContact O-N 3.08Å; C17-V38 WeakPolarHBondContact SG-CG2 3.46Å; A19-V38 HydrophobicContact CB-CG2 3.99Å; V38-S40 PolarHBondContact O-N 3.2Å; V38-I43 HydrophobicContact CG2-CD1 4.47Å; V38-I43 HydrophobicContact CG2-CG2 4.16Å
39	P	68.7	Low	66.7	Low	39 Å²	39	90.4 Å²	90.4	25%	0.253	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	132.3	172.5	-18.1	30.7	0	0	0	109.8	D15 W16 A41 Y42	D15-P39 WeakPolarHBondContact O-CA 3.22Å; W16-P39 HydrophobicContact CE3-CG 4.2Å; W16-P39 HydrophobicContact CH2-CG 3.95Å; W16-P39 HydrophobicContact CZ3-CG 3.76Å; P39-A41 PolarHBondContact O-N 2.98Å; P39-Y42 HydrophobicContact CB-CD2 3.87Å; P39-Y42 HydrophobicContact CB-CG 4.27Å; P39-Y42 HydrophobicContact CG-CD2 4.18Å; P39-Y42 HydrophobicContact CG-CG 4.32Å; P39-Y42 WeakPolarHBondContact O-CB 3.43Å; P39-Y42 PolarHBondContact O-N 3.07Å
40	S	69.1	Low	67.9	Low	25 Å²	25	87.7 Å²	87.7	18%	0.175	47%	0.467	C	S	.	.	G	3₁₀ helix	trans	-61.2	-34	-178.2	-55.5	0	0	0	0	111.8	G14 D15 W16 C17 V38 Y42 I43	G14-S40 VanDerWaalsContact O-CB 3.29Å; G14-S40 WeakPolarHBondContact O-CB 3.33Å; G14-S40 PolarHBondContact O-OG 3.06Å; D15-S40 PolarHBondContact O-N 2.76Å; W16-S40 WeakPolarHBondContact CA-OG 3.47Å; W16-S40 PolarHBondContact N-OG 2.78Å; C17-S40 PolarHBondContact N-OG 3.15Å; V38-S40 PolarHBondContact O-N 3.2Å; S40-Y42 PolarHBondContact O-N 3.39Å; S40-I43 VanDerWaalsContact O-CG1 3.28Å; S40-I43 WeakPolarHBondContact O-CG1 3.41Å; S40-I43 PolarHBondContact O-N 3.01Å
41	A	66.7	Low	68.7	Low	99 Å²	99	81 Å²	81	82%	0.818	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-71.9	-2.3	176.7	0	0	0	0	0	115.1	P39	P39-A41 PolarHBondContact O-N 2.98Å
42	Y	69.8	Low	69.6	Low	172 Å²	172	79.3 Å²	79.3	68%	0.675	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-102.8	-0.1	178.3	-86.5	-122.7	0	0	0	112.9	P39 S40	P39-Y42 HydrophobicContact CB-CD2 3.87Å; P39-Y42 HydrophobicContact CB-CG 4.27Å; P39-Y42 HydrophobicContact CG-CD2 4.18Å; P39-Y42 HydrophobicContact CG-CG 4.32Å; P39-Y42 WeakPolarHBondContact O-CB 3.43Å; P39-Y42 PolarHBondContact O-N 3.07Å; S40-Y42 PolarHBondContact O-N 3.39Å
43	I	72	Confident	70	Confident	53 Å²	53	78.5 Å²	78.5	27%	0.272	42%	0.423	S	S	.	.			trans	-124.5	151.5	177.8	58.6	166.3	0	0	0	110	V5 V7 C17 V38 S40	V5-I43 HydrophobicContact CG2-CG2 3.94Å; V7-I43 HydrophobicContact CG2-CD1 3.4Å; V7-I43 VanDerWaalsContact CG2-CD1 3.4Å; C17-I43 WeakPolarHBondContact SG-CD1 3.22Å; V38-I43 HydrophobicContact CG2-CD1 4.47Å; V38-I43 HydrophobicContact CG2-CG2 4.16Å; S40-I43 VanDerWaalsContact O-CG1 3.28Å; S40-I43 WeakPolarHBondContact O-CG1 3.41Å; S40-I43 PolarHBondContact O-N 3.01Å
44	A	68.5	Low	70.6	Confident	38 Å²	38	79.2 Å²	79.2	31%	0.314	42%	0.418	S	S	.	.			trans	-129.6	146.8	173.1	0	0	0	0	0	109.1	E50	A44-E50 HydrophobicContact CB-CB 3.74Å
45	P	73.8	Confident	70.6	Confident	93 Å²	93	70.7 Å²	70.7	60%	0.604	39%	0.386	S	S	*	.			trans	-55.5	139.9	169.6	-22.9	32.2	0	0	0	111.4	N47 S48	P45-N47 PolarHBondContact O-N 3.36Å; P45-S48 PolarHBondContact O-N 3.16Å; P45-S48 PolarHBondContact O-OG 3.15Å
46	V	70.7	Confident	70.5	Confident	88 Å²	88	69.7 Å²	69.7	53%	0.533	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.1	-176.6	-177.8	0	0	0	0	112.9	K51	V46-K51 WeakPolarHBondContact O-CD 3.27Å; V46-K51 WeakPolarHBondContact O-CE 3.12Å; V46-K51 PolarHBondContact O-NZ 3.24Å
47	N	68.7	Low	70.8	Confident	107 Å²	107	68.7 Å²	68.7	57%	0.572	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-5.1	180	-65.6	-1.9	0	0	0	114.1	P45	P45-N47 PolarHBondContact O-N 3.36Å
48	S	68.9	Low	71.1	Confident	20 Å²	20	71.3 Å²	71.3	14%	0.14	38%	0.383	C	S	.	.	S	Bend	trans	-87.7	167.1	-177.6	88.7	0	0	0	0	112.6	P45 E50 K51	P45-S48 PolarHBondContact O-N 3.16Å; P45-S48 PolarHBondContact O-OG 3.15Å; S48-E50 VanDerWaalsContact C-N 3.34Å; S48-E50 WeakPolarHBondContact CB-OE2 3.19Å; S48-E50 PolarHBondContact OG-OE2 3.08Å; S48-K51 VanDerWaalsContact O-CD 3.28Å; S48-K51 WeakPolarHBondContact O-CD 3.07Å; S48-K51 WeakPolarHBondContact O-CE 3.14Å; S48-K51 VanDerWaalsContact O-CG 3.26Å; S48-K51 WeakPolarHBondContact O-CG 3.46Å
49	L	67.5	Low	71.5	Confident	51 Å²	51	70.3 Å²	70.3	27%	0.267	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-73.8	-28	-178.5	-70	172.4	0	0	0	112.1	K51 H52 W54 Y55 I88	L49-K51 PolarHBondContact O-N 3.18Å; L49-H52 WeakPolarHBondContact O-CB 3.31Å; L49-H52 PolarHBondContact O-N 3.37Å; L49-W54 HydrophobicContact CD2-CH2 4.36Å; L49-Y55 HydrophobicContact CB-CD1 3.62Å; L49-Y55 HydrophobicContact CB-CD2 3.88Å; L49-Y55 HydrophobicContact CB-CE1 3.67Å; L49-Y55 HydrophobicContact CB-CE2 3.95Å; L49-Y55 HydrophobicContact CB-CG 3.7Å; L49-Y55 HydrophobicContact CD1-CD2 4.17Å; L49-Y55 HydrophobicContact CD1-CE2 3.69Å; L49-Y55 HydrophobicContact CG-CE2 4.45Å; L49-Y55 WeakPolarHBondContact O-CB 3.21Å; L49-I88 HydrophobicContact CD1-CD1 3.72Å
50	E	69.5	Low	72.2	Confident	106 Å²	106	70.4 Å²	70.4	50%	0.495	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-61	-14.6	-179.9	-63.1	74.7	-164.2	0	0	113.8	A44 S48 H52 Y55	A44-E50 HydrophobicContact CB-CB 3.74Å; S48-E50 VanDerWaalsContact C-N 3.34Å; S48-E50 WeakPolarHBondContact CB-OE2 3.19Å; S48-E50 PolarHBondContact OG-OE2 3.08Å; E50-H52 PolarHBondContact O-N 3.16Å; E50-Y55 HydrophobicContact CG-CD1 4.22Å; E50-Y55 HydrophobicContact CG-CE1 4.07Å; E50-Y55 WeakPolarHBondContact OE1-CE1 3.46Å
51	K	63.6	Low	73	Confident	90 Å²	90	75 Å²	75	39%	0.391	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-68.1	-21.2	169.2	78.1	-167.5	170	-179.9	0	113.3	V46 S48 L49	V46-K51 WeakPolarHBondContact O-CD 3.27Å; V46-K51 WeakPolarHBondContact O-CE 3.12Å; V46-K51 PolarHBondContact O-NZ 3.24Å; S48-K51 VanDerWaalsContact O-CD 3.28Å; S48-K51 WeakPolarHBondContact O-CD 3.07Å; S48-K51 WeakPolarHBondContact O-CE 3.14Å; S48-K51 VanDerWaalsContact O-CG 3.26Å; S48-K51 WeakPolarHBondContact O-CG 3.46Å; L49-K51 PolarHBondContact O-N 3.18Å
52	H	65	Low	73.6	Confident	52 Å²	52	71 Å²	71	24%	0.241	36%	0.361	C	S	.	.	S	Bend	trans	-91.6	123.6	-176.7	-65.9	-72.1	0	0	0	110.5	L49 E50 W54 Y55	L49-H52 WeakPolarHBondContact O-CB 3.31Å; L49-H52 PolarHBondContact O-N 3.37Å; E50-H52 PolarHBondContact O-N 3.16Å; H52-W54 HydrophobicContact CB-CD2 3.72Å; H52-W54 VanDerWaalsContact CB-CE2 3.43Å; H52-W54 HydrophobicContact CB-CE3 4.1Å; H52-W54 HydrophobicContact CB-CG 4.26Å; H52-W54 HydrophobicContact CB-CH2 3.94Å; H52-W54 HydrophobicContact CB-CZ2 3.57Å; H52-W54 HydrophobicContact CB-CZ3 4.2Å; H52-W54 AromaticContact CD2-CH2 3.72Å; H52-W54 AromaticContact CD2-CZ2 3.57Å; H52-W54 AromaticContact CE1-CZ2 3.94Å; H52-W54 AromaticContact CG-CE2 3.61Å; H52-W54 AromaticContact CG-CH2 3.8Å; H52-W54 AromaticContact CG-CZ2 3.29Å; H52-W54 AromaticContact CG-NE1 4Å; H52-W54 AromaticContact ND1-CE2 3.81Å; H52-W54 AromaticContact ND1-CZ2 3.55Å; H52-W54 AromaticContact ND1-NE1 3.82Å; H52-W54 AromaticContact NE2-CZ2 3.99Å; H52-W54 PolarHBondContact O-N 3Å; H52-W54 VanDerWaalsContact O-N 3.09Å; H52-Y55 PolarHBondContact O-N 3.38Å
53	T	65.2	Low	73.8	Confident	91 Å²	91	64.7 Å²	64.7	56%	0.558	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.6	179.9	52.7	0	0	0	0	114.7	S127	T53-S127 WeakPolarHBondContact CB-OG 3.5Å; T53-S127 VanDerWaalsContact OG1-CB 3.3Å; T53-S127 WeakPolarHBondContact OG1-CB 3.33Å; T53-S127 PolarHBondContact OG1-OG 3.19Å
54	W	73.5	Confident	74	Confident	40 Å²	40	62.2 Å²	62.2	15%	0.152	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-10.3	172.2	49.2	-108.2	0	0	0	113.2	L49 H52 F76 L77 V78 F467	L49-W54 HydrophobicContact CD2-CH2 4.36Å; H52-W54 HydrophobicContact CB-CD2 3.72Å; H52-W54 VanDerWaalsContact CB-CE2 3.43Å; H52-W54 HydrophobicContact CB-CE3 4.1Å; H52-W54 HydrophobicContact CB-CG 4.26Å; H52-W54 HydrophobicContact CB-CH2 3.94Å; H52-W54 HydrophobicContact CB-CZ2 3.57Å; H52-W54 HydrophobicContact CB-CZ3 4.2Å; H52-W54 AromaticContact CD2-CH2 3.72Å; H52-W54 AromaticContact CD2-CZ2 3.57Å; H52-W54 AromaticContact CE1-CZ2 3.94Å; H52-W54 AromaticContact CG-CE2 3.61Å; H52-W54 AromaticContact CG-CH2 3.8Å; H52-W54 AromaticContact CG-CZ2 3.29Å; H52-W54 AromaticContact CG-NE1 4Å; H52-W54 AromaticContact ND1-CE2 3.81Å; H52-W54 AromaticContact ND1-CZ2 3.55Å; H52-W54 AromaticContact ND1-NE1 3.82Å; H52-W54 AromaticContact NE2-CZ2 3.99Å; H52-W54 PolarHBondContact O-N 3Å; H52-W54 VanDerWaalsContact O-N 3.09Å; W54-F76 HydrophobicContact CB-CD2 4.46Å; W54-F76 HydrophobicContact CB-CE2 3.53Å; W54-F76 HydrophobicContact CB-CZ 3.74Å; W54-F76 AromaticContact CG-CE2 3.95Å; W54-F76 HydrophobicContact CG-CE2 3.95Å; W54-F76 HydrophobicContact CG-CZ 4.07Å; W54-L77 CarbonylContact O-C 3.58Å; W54-L77 WeakPolarHBondContact O-CA 3.43Å; W54-V78 HydrophobicContact CD2-CG2 4.38Å; W54-V78 HydrophobicContact CE3-CB 3.73Å; W54-V78 HydrophobicContact CE3-CG1 4.49Å; W54-V78 HydrophobicContact CE3-CG2 3.44Å; W54-V78 VanDerWaalsContact CE3-CG2 3.44Å; W54-V78 HydrophobicContact CZ3-CB 4.01Å; W54-V78 HydrophobicContact CZ3-CG1 4.28Å; W54-V78 HydrophobicContact CZ3-CG2 3.86Å; W54-V78 PolarHBondContact O-N 2.93Å; W54-F467 AromaticContact CH2-CE1 3.56Å; W54-F467 HydrophobicContact CH2-CE1 3.56Å; W54-F467 HydrophobicContact CH2-CZ 4.01Å; W54-F467 HydrophobicContact CZ2-CE1 4.09Å; W54-F467 HydrophobicContact CZ2-CZ 4.4Å; W54-F467 HydrophobicContact CZ3-CE1 4.16Å; W54-F467 HydrophobicContact CZ3-CZ 4.3Å
55	Y	77.2	Confident	74.6	Confident	33 Å²	33	62.5 Å²	62.5	13%	0.129	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-95.7	121.1	176.4	-175.2	-101.9	0	0	0	110.3	L49 E50 H52 V78	L49-Y55 HydrophobicContact CB-CD1 3.62Å; L49-Y55 HydrophobicContact CB-CD2 3.88Å; L49-Y55 HydrophobicContact CB-CE1 3.67Å; L49-Y55 HydrophobicContact CB-CE2 3.95Å; L49-Y55 HydrophobicContact CB-CG 3.7Å; L49-Y55 HydrophobicContact CD1-CD2 4.17Å; L49-Y55 HydrophobicContact CD1-CE2 3.69Å; L49-Y55 HydrophobicContact CG-CE2 4.45Å; L49-Y55 WeakPolarHBondContact O-CB 3.21Å; E50-Y55 HydrophobicContact CG-CD1 4.22Å; E50-Y55 HydrophobicContact CG-CE1 4.07Å; E50-Y55 WeakPolarHBondContact OE1-CE1 3.46Å; H52-Y55 PolarHBondContact O-N 3.38Å; Y55-V78 WeakPolarHBondContact CA-O 3.38Å; Y55-V78 HydrophobicContact CD2-CB 4.17Å; Y55-V78 HydrophobicContact CD2-CG1 3.94Å; Y55-V78 HydrophobicContact CE2-CG1 4.45Å
56	H	77.3	Confident	74.5	Confident	75 Å²	75	60.9 Å²	60.9	35%	0.347	30%	0.302	S	S	.	.			trans	-107.6	1.5	-176.6	-75.3	-121.9	0	0	0	112.9	I59 L67 V78	H56-I59 HydrophobicContact CB-CD1 3.53Å; H56-I59 HydrophobicContact CB-CG1 3.82Å; H56-I59 HydrophobicContact CB-CG2 4.34Å; H56-L67 WeakPolarHBondContact ND1-CD1 3.03Å; H56-V78 PolarHBondContact N-O 3.48Å
57	G	82.8	Confident	74.4	Confident	10 Å²	10	58.8 Å²	58.8	10%	0.103	29%	0.287	C	S	.	.			trans	61.5	-135.7	-179.6	0	0	0	0	0	113.1	I59 R79 E80	G57-I59 PolarHBondContact O-N 2.97Å; G57-R79 CarbonylContact O-C 3.55Å; G57-R79 VanDerWaalsContact O-CA 3.32Å; G57-R79 WeakPolarHBondContact O-CA 3.21Å; G57-R79 WeakPolarHBondContact O-CB 3.49Å; G57-E80 PolarHBondContact O-N 3.15Å
58	K	84.8	Confident	74.5	Confident	172 Å²	172	54.1 Å²	54.1	75%	0.748	26%	0.262	S	S	*	.	S	Bend	trans	-79.4	78.9	-179.1	-69.2	179.8	176.4	180	0	111.5	E80	K58-E80 WeakPolarHBondContact CE-OE2 3.5Å; K58-E80 HydrophobicContact CG-CB 4.19Å; K58-E80 WeakPolarHBondContact CG-OE2 3.43Å; K58-E80 IonicContact NZ-OE2 3.01Å
59	I	77.5	Confident	74.7	Confident	23 Å²	23	56 Å²	56	12%	0.118	28%	0.275	C	S	.	.			trans	-116.1	147.4	166.1	60	161.3	0	0	0	111.1	H56 G57 E63 A64 L67 L77 R79	H56-I59 HydrophobicContact CB-CD1 3.53Å; H56-I59 HydrophobicContact CB-CG1 3.82Å; H56-I59 HydrophobicContact CB-CG2 4.34Å; G57-I59 PolarHBondContact O-N 2.97Å; I59-E63 WeakPolarHBondContact CA-OE2 3.42Å; I59-E63 HydrophobicContact CB-CB 4.11Å; I59-A64 HydrophobicContact CD1-CB 4.08Å; I59-L67 HydrophobicContact CD1-CD1 3.74Å; I59-L77 HydrophobicContact CD1-CD1 3.86Å; I59-L77 HydrophobicContact CD1-CD2 3.91Å; I59-R79 HydrophobicContact CD1-CB 4.34Å; I59-R79 HydrophobicContact CG1-CB 3.66Å; I59-R79 PolarHBondContact O-NH1 3.18Å
60	S	84.4	Confident	74.8	Confident	41 Å²	41	58.2 Å²	58.2	29%	0.287	30%	0.295	S	S	.	.			trans	-71.3	166	179.6	81.8	0	0	0	0	112.7	G62 E63 A64 E82	S60-G62 VanDerWaalsContact C-N 3.32Å; S60-G62 PolarHBondContact OG-N 3.18Å; S60-E63 PolarHBondContact N-OE2 3.32Å; S60-E63 PolarHBondContact O-N 3.29Å; S60-E63 WeakPolarHBondContact OG-CG 3.32Å; S60-E63 PolarHBondContact OG-N 3.48Å; S60-A64 WeakPolarHBondContact O-CB 3.03Å; S60-A64 PolarHBondContact O-N 3.43Å; S60-E82 WeakPolarHBondContact CA-OE1 3.34Å; S60-E82 WeakPolarHBondContact CB-OE1 3.37Å
61	R	84.6	Confident	74.4	Confident	120 Å²	120	54 Å²	54	45%	0.453	28%	0.28	S	S	.	.	H	α-helix	trans	-57.5	-48.8	170.9	-173.3	-179.9	174.3	133.4	-4.6	110.3	E63 A64 E65 R79 E82 H100	R61-E63 VanDerWaalsContact C-N 3.25Å; R61-E63 PolarHBondContact O-N 2.67Å; R61-A64 WeakPolarHBondContact O-CB 3.28Å; R61-A64 PolarHBondContact O-N 2.77Å; R61-E65 WeakPolarHBondContact CG-OE1 3.47Å; R61-E65 IonicContact CZ-OE1 4Å; R61-E65 IonicContact NE-OE1 3.14Å; R61-E65 PolarHBondContact NE-OE1 2.81Å; R61-E65 IonicContact NH2-OE1 3.24Å; R61-E65 WeakPolarHBondContact O-CG 3.19Å; R61-E65 PolarHBondContact O-N 2.87Å; R61-R79 VanDerWaalsContact CB-NH2 3.32Å; R61-E82 WeakPolarHBondContact CB-OE2 3.22Å; R61-E82 PolarHBondContact N-OE1 2.9Å; R61-E82 PolarHBondContact N-OE2 3.37Å; R61-E82 VanDerWaalsContact N-OE2 3.1Å; R61-H100 PolarHBondContact NE-CD2 3.17Å; R61-H100 PolarHBondContact NH2-CD2 3.35Å; R61-H100 VanDerWaalsContact NH2-CD2 3.29Å
62	G	80.9	Confident	74.4	Confident	17 Å²	17	55.2 Å²	55.2	18%	0.175	29%	0.29	C	S	.	.	H	α-helix	trans	-67	-23.3	179.5	0	0	0	0	0	113.8	S60 Y66 K218	S60-G62 VanDerWaalsContact C-N 3.32Å; S60-G62 PolarHBondContact OG-N 3.18Å; G62-Y66 VanDerWaalsContact O-CB 3.25Å; G62-Y66 WeakPolarHBondContact O-CB 3.37Å; G62-Y66 PolarHBondContact O-N 3.16Å; G62-K218 PolarHBondContact O-NZ 2.8Å
63	E	73.6	Confident	74.1	Confident	39 Å²	39	56.1 Å²	56.1	18%	0.182	30%	0.296	C	S	.	.	H	α-helix	trans	-76.9	-38.5	167.8	-76.7	-173.3	101.9	0	0	112.5	I59 S60 R61 Y66 L67 R192	I59-E63 WeakPolarHBondContact CA-OE2 3.42Å; I59-E63 HydrophobicContact CB-CB 4.11Å; S60-E63 PolarHBondContact N-OE2 3.32Å; S60-E63 PolarHBondContact O-N 3.29Å; S60-E63 WeakPolarHBondContact OG-CG 3.32Å; S60-E63 PolarHBondContact OG-N 3.48Å; R61-E63 VanDerWaalsContact C-N 3.25Å; R61-E63 PolarHBondContact O-N 2.67Å; E63-Y66 WeakPolarHBondContact O-CB 3.09Å; E63-Y66 PolarHBondContact O-N 2.84Å; E63-L67 WeakPolarHBondContact O-CB 3.33Å; E63-L67 WeakPolarHBondContact O-CG 3.37Å; E63-L67 PolarHBondContact O-N 2.95Å; E63-R192 IonicContact OE1-CZ 2.83Å; E63-R192 IonicContact OE1-NH1 3.96Å; E63-R192 PolarHBondContact OE1-NH1 2.87Å; E63-R192 IonicContact OE1-NH2 3.44Å; E63-R192 PolarHBondContact OE1-NH2 3.46Å; E63-R192 IonicContact OE2-NH1 3.92Å
64	A	76.6	Confident	73.8	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.7	-45.1	176.8	0	0	0	0	0	111.7	I59 S60 R61 Y66 L67 L68 L77	I59-A64 HydrophobicContact CD1-CB 4.08Å; S60-A64 WeakPolarHBondContact O-CB 3.03Å; S60-A64 PolarHBondContact O-N 3.43Å; R61-A64 WeakPolarHBondContact O-CB 3.28Å; R61-A64 PolarHBondContact O-N 2.77Å; A64-Y66 VanDerWaalsContact C-N 3.28Å; A64-Y66 PolarHBondContact O-N 2.94Å; A64-L67 PolarHBondContact O-N 3.14Å; A64-L68 WeakPolarHBondContact O-CB 3.01Å; A64-L68 VanDerWaalsContact O-CG 3.29Å; A64-L68 WeakPolarHBondContact O-CG 3.31Å; A64-L68 PolarHBondContact O-N 2.86Å; A64-L77 HydrophobicContact CB-CD1 3.85Å; A64-L77 HydrophobicContact CB-CD2 4.25Å; A64-L77 HydrophobicContact CB-CG 4.47Å
65	E	81.2	Confident	73.5	Confident	44 Å²	44	52 Å²	52	21%	0.206	28%	0.28	C	S	.	.	H	α-helix	trans	-57.5	-43.4	170.8	-68.3	171.1	-177.7	0	0	110.9	R61 L68 S69 V98 H100	R61-E65 WeakPolarHBondContact CG-OE1 3.47Å; R61-E65 IonicContact CZ-OE1 4Å; R61-E65 IonicContact NE-OE1 3.14Å; R61-E65 PolarHBondContact NE-OE1 2.81Å; R61-E65 IonicContact NH2-OE1 3.24Å; R61-E65 WeakPolarHBondContact O-CG 3.19Å; R61-E65 PolarHBondContact O-N 2.87Å; E65-L68 CarbonylContact O-C 3.57Å; E65-L68 PolarHBondContact O-N 2.81Å; E65-S69 PolarHBondContact O-N 3.42Å; E65-V98 HydrophobicContact CG-CB 4.1Å; E65-V98 HydrophobicContact CG-CG1 4.12Å; E65-H100 VanDerWaalsContact CG-NE2 3.28Å; E65-H100 WeakPolarHBondContact CG-NE2 3.03Å; E65-H100 IonicContact OE1-CD2 2.75Å; E65-H100 IonicContact OE1-NE2 2.61Å; E65-H100 PolarHBondContact OE1-NE2 2.67Å
66	Y	70.5	Confident	73.5	Confident	60 Å²	60	51.1 Å²	51.1	24%	0.235	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-48	177	177.1	-98.3	0	0	0	113	G62 E63 A64 L68 S69 K247 H248	G62-Y66 VanDerWaalsContact O-CB 3.25Å; G62-Y66 WeakPolarHBondContact O-CB 3.37Å; G62-Y66 PolarHBondContact O-N 3.16Å; E63-Y66 WeakPolarHBondContact O-CB 3.09Å; E63-Y66 PolarHBondContact O-N 2.84Å; A64-Y66 VanDerWaalsContact C-N 3.28Å; A64-Y66 PolarHBondContact O-N 2.94Å; Y66-L68 PolarHBondContact O-N 3.06Å; Y66-S69 VanDerWaalsContact O-CB 3.28Å; Y66-S69 WeakPolarHBondContact O-CB 3.35Å; Y66-S69 PolarHBondContact O-N 2.99Å; Y66-S69 VanDerWaalsContact O-N 3.08Å; Y66-S69 PolarHBondContact O-OG 2.87Å; Y66-K247 HydrophobicContact CE1-CB 4.07Å; Y66-K247 WeakPolarHBondContact CE1-O 3.37Å; Y66-K247 VanDerWaalsContact CZ-O 3.3Å; Y66-K247 VanDerWaalsContact OH-CA 3.23Å; Y66-K247 WeakPolarHBondContact OH-CA 3.41Å; Y66-K247 PolarHBondContact OH-O 2.8Å; Y66-H248 PolarHBondContact OH-CD2 3.38Å
67	L	69.7	Low	73.6	Confident	44 Å²	44	47.7 Å²	47.7	23%	0.23	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-29.9	178.7	-75	166.4	0	0	0	112.7	H56 I59 E63 A64 L77 K247	H56-L67 WeakPolarHBondContact ND1-CD1 3.03Å; I59-L67 HydrophobicContact CD1-CD1 3.74Å; E63-L67 WeakPolarHBondContact O-CB 3.33Å; E63-L67 WeakPolarHBondContact O-CG 3.37Å; E63-L67 PolarHBondContact O-N 2.95Å; A64-L67 PolarHBondContact O-N 3.14Å; L67-L77 HydrophobicContact CB-CD2 4Å; L67-L77 HydrophobicContact CD1-CD2 4.07Å; L67-K247 HydrophobicContact CD2-CD 4.29Å
68	L	71	Confident	73.4	Confident	9 Å²	9	47.3 Å²	47.3	5%	0.047	26%	0.257	C	S	.	.	H	α-helix	trans	-87.3	-11.3	175.7	-66.4	173.4	0	0	0	113.1	A64 E65 Y66 S70 G71 S75 L77 S91 R93 V98	A64-L68 WeakPolarHBondContact O-CB 3.01Å; A64-L68 VanDerWaalsContact O-CG 3.29Å; A64-L68 WeakPolarHBondContact O-CG 3.31Å; A64-L68 PolarHBondContact O-N 2.86Å; E65-L68 CarbonylContact O-C 3.57Å; E65-L68 PolarHBondContact O-N 2.81Å; Y66-L68 PolarHBondContact O-N 3.06Å; L68-S70 PolarHBondContact O-N 3.41Å; L68-S70 VanDerWaalsContact O-N 3.16Å; L68-G71 PolarHBondContact O-N 3.14Å; L68-S75 WeakPolarHBondContact CD2-O 3.43Å; L68-L77 HydrophobicContact CD1-CD2 4.49Å; L68-L77 HydrophobicContact CD1-CG 4.29Å; L68-L77 HydrophobicContact CG-CD2 4.23Å; L68-L77 HydrophobicContact CG-CG 4.47Å; L68-S91 WeakPolarHBondContact CD1-O 3.39Å; L68-R93 HydrophobicContact CB-CB 4.34Å; L68-R93 WeakPolarHBondContact O-CD 3.33Å; L68-R93 PolarHBondContact O-NH1 3.21Å; L68-V98 HydrophobicContact CB-CG1 4.48Å; L68-V98 HydrophobicContact CB-CG2 3.8Å; L68-V98 HydrophobicContact CD1-CG1 3.64Å; L68-V98 HydrophobicContact CD1-CG2 4.42Å
69	S	72.4	Confident	73.4	Confident	59 Å²	59	39.6 Å²	39.6	41%	0.413	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.4	-179.8	73.8	0	0	0	0	114.5	E65 Y66 R93	E65-S69 PolarHBondContact O-N 3.42Å; Y66-S69 VanDerWaalsContact O-CB 3.28Å; Y66-S69 WeakPolarHBondContact O-CB 3.35Å; Y66-S69 PolarHBondContact O-N 2.99Å; Y66-S69 VanDerWaalsContact O-N 3.08Å; Y66-S69 PolarHBondContact O-OG 2.87Å; S69-R93 PolarHBondContact O-NH1 3.04Å
70	S	68.6	Low	73.7	Confident	98 Å²	98	40.3 Å²	40.3	69%	0.685	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.2	1.9	171.9	56.6	0	0	0	0	114.4	L68	L68-S70 PolarHBondContact O-N 3.41Å; L68-S70 VanDerWaalsContact O-N 3.16Å
71	G	62.1	Low	73.5	Confident	18 Å²	18	38.4 Å²	38.4	19%	0.186	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-75.4	168.8	178.2	0	0	0	0	0	114.1	L68 R93	L68-G71 PolarHBondContact O-N 3.14Å; G71-R93 WeakPolarHBondContact O-CD 3.48Å; G71-R93 PolarHBondContact O-NE 3.03Å; G71-R93 PolarHBondContact O-NH1 2.97Å; G71-R93 PolarHBondContact O-NH2 2.57Å
72	I	63.4	Low	73.1	Confident	114 Å²	114	37.5 Å²	37.5	59%	0.585	21%	0.214	S	C	*	.	P	Polyproline II helix	trans	-91.4	168.8	167	59.7	173.2	0	0	0	111	G74 S75 L126	I72-G74 PolarHBondContact O-N 3.46Å; I72-S75 PolarHBondContact N-OG 2.92Å; I72-S75 WeakPolarHBondContact O-CB 3.49Å; I72-S75 PolarHBondContact O-N 3.45Å; I72-S75 PolarHBondContact O-OG 3.06Å; I72-L126 HydrophobicContact CD1-CD1 4.33Å
73	N	58.9	Low	72.9	Confident	72 Å²	72	40.8 Å²	40.8	39%	0.385	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	135	170.4	-72.1	5.6	0	0	0	110.1	S75 Y94 E95	N73-S75 VanDerWaalsContact C-N 3.33Å; N73-Y94 HydrophobicContact CB-CD2 4.27Å; N73-E95 PolarHBondContact ND2-N 2.74Å; N73-E95 PolarHBondContact OD1-N 3.05Å
74	G	57.9	Low	73	Confident	18 Å²	18	41.3 Å²	41.3	19%	0.186	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	-7.8	-172.6	0	0	0	0	0	114.8	I72 F76 R93	I72-G74 PolarHBondContact O-N 3.46Å; G74-F76 PolarHBondContact O-N 3.47Å; G74-R93 PolarHBondContact N-O 3.44Å
75	S	68.8	Low	72.9	Confident	26 Å²	26	46.4 Å²	46.4	18%	0.182	27%	0.274	C	S	.	.			trans	-64.7	129.7	172.1	-55.8	0	0	0	0	109.6	L68 I72 N73 R93	L68-S75 WeakPolarHBondContact CD2-O 3.43Å; I72-S75 PolarHBondContact N-OG 2.92Å; I72-S75 WeakPolarHBondContact O-CB 3.49Å; I72-S75 PolarHBondContact O-N 3.45Å; I72-S75 PolarHBondContact O-OG 3.06Å; N73-S75 VanDerWaalsContact C-N 3.33Å; S75-R93 PolarHBondContact O-N 3.4Å
76	F	77	Confident	72.5	Confident	15 Å²	15	47.1 Å²	47.1	7%	0.066	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	165.5	-178	76	-81	0	0	0	111.4	W54 G74 V78 V90 S91 L92 L123	W54-F76 HydrophobicContact CB-CD2 4.46Å; W54-F76 HydrophobicContact CB-CE2 3.53Å; W54-F76 HydrophobicContact CB-CZ 3.74Å; W54-F76 AromaticContact CG-CE2 3.95Å; W54-F76 HydrophobicContact CG-CE2 3.95Å; W54-F76 HydrophobicContact CG-CZ 4.07Å; G74-F76 PolarHBondContact O-N 3.47Å; F76-V78 HydrophobicContact CD2-CG2 4.47Å; F76-V78 HydrophobicContact CE2-CG2 4.39Å; F76-V90 HydrophobicContact CD2-CG1 4.5Å; F76-S91 CarbonylContact C-O 3.55Å; F76-S91 WeakPolarHBondContact CA-O 3.29Å; F76-S91 WeakPolarHBondContact CB-O 3.16Å; F76-L92 HydrophobicContact CB-CB 4.41Å; F76-L92 HydrophobicContact CB-CD1 3.89Å; F76-L123 HydrophobicContact CD2-CD1 4.45Å; F76-L123 HydrophobicContact CE1-CD2 3.92Å; F76-L123 HydrophobicContact CE2-CD1 3.99Å; F76-L123 HydrophobicContact CE2-CD2 3.92Å; F76-L123 HydrophobicContact CZ-CD1 4.41Å; F76-L123 HydrophobicContact CZ-CD2 3.48Å; F76-L123 VanDerWaalsContact CZ-CD2 3.48Å; F76-L123 HydrophobicContact CZ-CG 4.48Å
77	L	77.9	Confident	72.9	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.01	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	165.6	166.5	61.9	77.6	0	0	0	110.6	W54 I59 A64 L67 L68 R79 V90 S91	W54-L77 CarbonylContact O-C 3.58Å; W54-L77 WeakPolarHBondContact O-CA 3.43Å; I59-L77 HydrophobicContact CD1-CD1 3.86Å; I59-L77 HydrophobicContact CD1-CD2 3.91Å; A64-L77 HydrophobicContact CB-CD1 3.85Å; A64-L77 HydrophobicContact CB-CD2 4.25Å; A64-L77 HydrophobicContact CB-CG 4.47Å; L67-L77 HydrophobicContact CB-CD2 4Å; L67-L77 HydrophobicContact CD1-CD2 4.07Å; L68-L77 HydrophobicContact CD1-CD2 4.49Å; L68-L77 HydrophobicContact CD1-CG 4.29Å; L68-L77 HydrophobicContact CG-CD2 4.23Å; L68-L77 HydrophobicContact CG-CG 4.47Å; L77-R79 HydrophobicContact CD1-CB 4.19Å; L77-R79 HydrophobicContact CD1-CG 4.31Å; L77-V90 CarbonylContact O-C 3.28Å; L77-V90 WeakPolarHBondContact O-CA 3.21Å; L77-S91 PolarHBondContact N-O 3.26Å; L77-S91 PolarHBondContact O-N 2.73Å
78	V	79.8	Confident	73.3	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.018	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.1	178	-175.1	0	0	0	0	108	W54 Y55 H56 F76 I88 S89 V90	W54-V78 HydrophobicContact CD2-CG2 4.38Å; W54-V78 HydrophobicContact CE3-CB 3.73Å; W54-V78 HydrophobicContact CE3-CG1 4.49Å; W54-V78 HydrophobicContact CE3-CG2 3.44Å; W54-V78 VanDerWaalsContact CE3-CG2 3.44Å; W54-V78 HydrophobicContact CZ3-CB 4.01Å; W54-V78 HydrophobicContact CZ3-CG1 4.28Å; W54-V78 HydrophobicContact CZ3-CG2 3.86Å; W54-V78 PolarHBondContact O-N 2.93Å; Y55-V78 WeakPolarHBondContact CA-O 3.38Å; Y55-V78 HydrophobicContact CD2-CB 4.17Å; Y55-V78 HydrophobicContact CD2-CG1 3.94Å; Y55-V78 HydrophobicContact CE2-CG1 4.45Å; H56-V78 PolarHBondContact N-O 3.48Å; F76-V78 HydrophobicContact CD2-CG2 4.47Å; F76-V78 HydrophobicContact CE2-CG2 4.39Å; V78-I88 HydrophobicContact CG1-CG2 3.17Å; V78-S89 WeakPolarHBondContact CA-O 3.35Å; V78-V90 HydrophobicContact CG2-CG2 4.37Å
79	R	84.3	Confident	73.9	Confident	9 Å²	9	46.3 Å²	46.3	3%	0.034	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	163.5	-174.7	64.4	-172.9	-171.4	87.4	-8.2	110.8	G57 I59 R61 L77 E82 S89 S91	G57-R79 CarbonylContact O-C 3.55Å; G57-R79 VanDerWaalsContact O-CA 3.32Å; G57-R79 WeakPolarHBondContact O-CA 3.21Å; G57-R79 WeakPolarHBondContact O-CB 3.49Å; I59-R79 HydrophobicContact CD1-CB 4.34Å; I59-R79 HydrophobicContact CG1-CB 3.66Å; I59-R79 PolarHBondContact O-NH1 3.18Å; R61-R79 VanDerWaalsContact CB-NH2 3.32Å; L77-R79 HydrophobicContact CD1-CB 4.19Å; L77-R79 HydrophobicContact CD1-CG 4.31Å; R79-E82 IonicContact CZ-OE2 2.62Å; R79-E82 VanDerWaalsContact CZ-OE2 3.25Å; R79-E82 IonicContact NH1-OE2 3.87Å; R79-E82 PolarHBondContact NH1-OE2 2.88Å; R79-E82 IonicContact NH2-OE2 3.95Å; R79-E82 PolarHBondContact NH2-OE2 3.33Å; R79-S89 PolarHBondContact N-O 2.81Å; R79-S89 PolarHBondContact O-N 2.93Å; R79-S91 PolarHBondContact NE-OG 2.99Å
80	E	85	Confident	74.3	Confident	38 Å²	38	43.6 Å²	43.6	18%	0.178	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	144.6	167	-161.1	172.8	152	0	0	110.5	G57 K58 E82 G86	G57-E80 PolarHBondContact O-N 3.15Å; K58-E80 WeakPolarHBondContact CE-OE2 3.5Å; K58-E80 HydrophobicContact CG-CB 4.19Å; K58-E80 WeakPolarHBondContact CG-OE2 3.43Å; K58-E80 IonicContact NZ-OE2 3.01Å; E80-E82 PolarHBondContact O-N 3.15Å; E80-G86 PolarHBondContact OE1-N 3.26Å
81	S	78.9	Confident	74.9	Confident	2 Å²	2	39 Å²	39	1%	0.014	24%	0.241	C	C	.	.			trans	-79.2	109.8	179.2	164	0	0	0	0	110.5	S83 C84 Q87	S81-S83 PolarHBondContact O-N 2.78Å; S81-S83 PolarHBondContact OG-OG 2.9Å; S81-C84 WeakPolarHBondContact CB-O 3.39Å; S81-C84 CarbonylContact O-C 3.59Å; S81-C84 PolarHBondContact O-N 2.91Å; S81-C84 PolarHBondContact OG-N 2.93Å; S81-C84 VanDerWaalsContact OG-N 3.14Å; S81-Q87 WeakPolarHBondContact CB-O 3.41Å; S81-Q87 PolarHBondContact N-O 2.93Å
82	E	77	Confident	75.4	Confident	100 Å²	100	38.6 Å²	38.6	47%	0.467	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-41.9	173.9	-59.1	141.1	117	0	0	111.8	S60 R61 R79 E80 C84	S60-E82 WeakPolarHBondContact CA-OE1 3.34Å; S60-E82 WeakPolarHBondContact CB-OE1 3.37Å; R61-E82 WeakPolarHBondContact CB-OE2 3.22Å; R61-E82 PolarHBondContact N-OE1 2.9Å; R61-E82 PolarHBondContact N-OE2 3.37Å; R61-E82 VanDerWaalsContact N-OE2 3.1Å; R79-E82 IonicContact CZ-OE2 2.62Å; R79-E82 VanDerWaalsContact CZ-OE2 3.25Å; R79-E82 IonicContact NH1-OE2 3.87Å; R79-E82 PolarHBondContact NH1-OE2 2.88Å; R79-E82 IonicContact NH2-OE2 3.95Å; R79-E82 PolarHBondContact NH2-OE2 3.33Å; E80-E82 PolarHBondContact O-N 3.15Å; E82-C84 PolarHBondContact O-N 2.91Å
83	S	76.9	Confident	75.9	Confident	86 Å²	86	35.4 Å²	35.4	60%	0.601	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-9.8	-179.6	62.1	0	0	0	0	114.8	S81 R102	S81-S83 PolarHBondContact O-N 2.78Å; S81-S83 PolarHBondContact OG-OG 2.9Å; S83-R102 PolarHBondContact OG-NH2 2.97Å
84	C	75.7	Confident	76.3	Confident	51 Å²	51	32.8 Å²	32.8	35%	0.345	20%	0.2	S	C	.	.	S	Bend	trans	-162.9	85.5	-176.8	-164.6	0	0	0	0	108.7	S81 E82 Q87	S81-C84 WeakPolarHBondContact CB-O 3.39Å; S81-C84 CarbonylContact O-C 3.59Å; S81-C84 PolarHBondContact O-N 2.91Å; S81-C84 PolarHBondContact OG-N 2.93Å; S81-C84 VanDerWaalsContact OG-N 3.14Å; E82-C84 PolarHBondContact O-N 2.91Å; C84-Q87 HydrophobicContact CB-CB 4.2Å; C84-Q87 HydrophobicContact CB-CG 4.23Å; C84-Q87 WeakPolarHBondContact O-CB 3.23Å; C84-Q87 PolarHBondContact O-N 3.07Å; C84-Q87 VanDerWaalsContact O-N 3.07Å
85	P	74.4	Confident	77.1	Confident	106 Å²	106	36.9 Å²	36.9	69%	0.688	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	143.8	-179.4	-28.4	36.3	0	0	0	112.4	Q87	P85-Q87 PolarHBondContact O-N 3.16Å
86	G	72.9	Confident	77	Confident	60 Å²	60	38 Å²	38	62%	0.619	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.7	-17.3	-172.2	0	0	0	0	0	115.9	E80	E80-G86 PolarHBondContact OE1-N 3.26Å
87	Q	77.9	Confident	76.9	Confident	50 Å²	50	45.1 Å²	45.1	23%	0.234	26%	0.257	C	S	.	.			trans	-86.2	158.4	168.6	-67.2	-69.8	-61	0	0	111.3	S81 C84 P85 L103	S81-Q87 WeakPolarHBondContact CB-O 3.41Å; S81-Q87 PolarHBondContact N-O 2.93Å; C84-Q87 HydrophobicContact CB-CB 4.2Å; C84-Q87 HydrophobicContact CB-CG 4.23Å; C84-Q87 WeakPolarHBondContact O-CB 3.23Å; C84-Q87 PolarHBondContact O-N 3.07Å; C84-Q87 VanDerWaalsContact O-N 3.07Å; P85-Q87 PolarHBondContact O-N 3.16Å; Q87-L103 PolarHBondContact OE1-O 2.84Å
88	I	79.2	Confident	76.8	Confident	37 Å²	37	46.5 Å²	46.5	19%	0.19	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	146.7	-175.6	-62.1	-179.7	0	0	0	110.9	L49 V78 L103	L49-I88 HydrophobicContact CD1-CD1 3.72Å; V78-I88 HydrophobicContact CG1-CG2 3.17Å; I88-L103 HydrophobicContact CB-CD1 4.38Å; I88-L103 HydrophobicContact CG2-CD1 3.89Å; I88-L103 PolarHBondContact O-N 3.4Å
89	S	82.6	Confident	76.7	Confident	9 Å²	9	49.2 Å²	49.2	6%	0.063	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138.3	173.3	-66.8	0	0	0	0	111.9	V78 R79 Y101	V78-S89 WeakPolarHBondContact CA-O 3.35Å; R79-S89 PolarHBondContact N-O 2.81Å; R79-S89 PolarHBondContact O-N 2.93Å; S89-Y101 CarbonylContact C-O 3.52Å; S89-Y101 WeakPolarHBondContact CA-O 3.44Å
90	V	81.5	Confident	76.6	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.012	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	134.2	169.1	-175.3	0	0	0	0	108.4	F76 L77 V78 H100 Y101 L103	F76-V90 HydrophobicContact CD2-CG1 4.5Å; L77-V90 CarbonylContact O-C 3.28Å; L77-V90 WeakPolarHBondContact O-CA 3.21Å; V78-V90 HydrophobicContact CG2-CG2 4.37Å; V90-H100 CarbonylContact O-C 3.3Å; V90-H100 WeakPolarHBondContact O-CA 3.28Å; V90-Y101 PolarHBondContact N-O 3.41Å; V90-Y101 PolarHBondContact O-N 3.13Å; V90-L103 HydrophobicContact CG2-CD1 3.89Å; V90-L103 HydrophobicContact CG2-CD2 3.85Å; V90-L103 HydrophobicContact CG2-CG 3.93Å
91	S	80.3	Confident	76.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.8	168.7	-48.1	0	0	0	0	108	L68 F76 L77 R79 Y99 H100	L68-S91 WeakPolarHBondContact CD1-O 3.39Å; F76-S91 CarbonylContact C-O 3.55Å; F76-S91 WeakPolarHBondContact CA-O 3.29Å; F76-S91 WeakPolarHBondContact CB-O 3.16Å; L77-S91 PolarHBondContact N-O 3.26Å; L77-S91 PolarHBondContact O-N 2.73Å; R79-S91 PolarHBondContact NE-OG 2.99Å; S91-Y99 CarbonylContact C-O 3.59Å; S91-Y99 VanDerWaalsContact CA-O 3.32Å; S91-Y99 WeakPolarHBondContact CA-O 3.34Å; S91-H100 WeakPolarHBondContact CB-ND1 3.33Å; S91-H100 PolarHBondContact OG-CE1 2.91Å; S91-H100 PolarHBondContact OG-ND1 2.66Å
92	L	73.5	Confident	76.3	Confident	10 Å²	10	56.2 Å²	56.2	5%	0.052	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.8	-171.2	171.4	66.7	0	0	0	110.2	F76 V98 Y99 Y101 V463	F76-L92 HydrophobicContact CB-CB 4.41Å; F76-L92 HydrophobicContact CB-CD1 3.89Å; L92-V98 CarbonylContact O-C 3.34Å; L92-V98 WeakPolarHBondContact O-CA 3.38Å; L92-Y99 PolarHBondContact N-O 2.94Å; L92-Y99 PolarHBondContact O-N 3.15Å; L92-Y101 HydrophobicContact CB-CE2 4.33Å; L92-Y101 HydrophobicContact CD2-CE2 4.26Å; L92-V463 HydrophobicContact CD1-CG1 4.5Å; L92-V463 HydrophobicContact CD2-CG1 4.5Å
93	R	73.1	Confident	76.1	Confident	47 Å²	47	51.7 Å²	51.7	18%	0.177	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	130.5	171.3	174.4	164.2	177.1	148.4	-4.9	112	L68 S69 G71 G74 S75 R97 V98	L68-R93 HydrophobicContact CB-CB 4.34Å; L68-R93 WeakPolarHBondContact O-CD 3.33Å; L68-R93 PolarHBondContact O-NH1 3.21Å; S69-R93 PolarHBondContact O-NH1 3.04Å; G71-R93 WeakPolarHBondContact O-CD 3.48Å; G71-R93 PolarHBondContact O-NE 3.03Å; G71-R93 PolarHBondContact O-NH1 2.97Å; G71-R93 PolarHBondContact O-NH2 2.57Å; G74-R93 PolarHBondContact N-O 3.44Å; S75-R93 PolarHBondContact O-N 3.4Å; R93-R97 VanDerWaalsContact CA-O 3.3Å; R93-R97 WeakPolarHBondContact CA-O 3.33Å; R93-V98 HydrophobicContact CB-CG2 4.49Å
94	Y	68	Low	75.6	Confident	17 Å²	17	50.1 Å²	50.1	7%	0.067	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	135.1	167.8	-174.8	-98	0	0	0	110.3	N73 G96 R97 Q456 M459	N73-Y94 HydrophobicContact CB-CD2 4.27Å; Y94-G96 VanDerWaalsContact C-N 3.26Å; Y94-G96 PolarHBondContact O-N 2.97Å; Y94-G96 VanDerWaalsContact O-N 3.17Å; Y94-R97 PolarHBondContact N-O 2.96Å; Y94-R97 PolarHBondContact O-N 2.94Å; Y94-R97 VanDerWaalsContact O-O 3.11Å; Y94-Q456 HydrophobicContact CD1-CG 3.71Å; Y94-Q456 HydrophobicContact CE1-CG 3.84Å; Y94-Q456 HydrophobicContact CG-CG 4.3Å; Y94-M459 HydrophobicContact CD2-CE 4.31Å; Y94-M459 HydrophobicContact CD2-SD 3.51Å; Y94-M459 VanDerWaalsContact CD2-SD 3.51Å; Y94-M459 HydrophobicContact CE2-SD 3.33Å; Y94-M459 WeakPolarHBondContact CE2-SD 3.29Å
95	E	74.8	Confident	75	Confident	104 Å²	104	52.7 Å²	52.7	49%	0.486	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	43.8	-179.6	-73.1	173.6	-168.8	0	0	114.3	N73 R97	N73-E95 PolarHBondContact ND2-N 2.74Å; N73-E95 PolarHBondContact OD1-N 3.05Å; E95-R97 PolarHBondContact O-N 3.45Å; E95-R97 VanDerWaalsContact O-N 3.15Å
96	G	66.7	Low	74.4	Confident	49 Å²	49	50.4 Å²	50.4	51%	0.505	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	-6.2	179.6	0	0	0	0	0	115.3	Y94	Y94-G96 VanDerWaalsContact C-N 3.26Å; Y94-G96 PolarHBondContact O-N 2.97Å; Y94-G96 VanDerWaalsContact O-N 3.17Å
97	R	74.3	Confident	74.2	Confident	166 Å²	166	53.4 Å²	53.4	63%	0.626	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	158.9	173.6	-62.3	-179	179.6	-164.7	-1.1	110.7	R93 Y94 E95 Y99	R93-R97 VanDerWaalsContact CA-O 3.3Å; R93-R97 WeakPolarHBondContact CA-O 3.33Å; Y94-R97 PolarHBondContact N-O 2.96Å; Y94-R97 PolarHBondContact O-N 2.94Å; Y94-R97 VanDerWaalsContact O-O 3.11Å; E95-R97 PolarHBondContact O-N 3.45Å; E95-R97 VanDerWaalsContact O-N 3.15Å; R97-Y99 HydrophobicContact CB-CE2 3.76Å
98	V	75.4	Confident	73.1	Confident	31 Å²	31	55.7 Å²	55.7	19%	0.188	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.2	173.9	-178	0	0	0	0	109.1	E65 L68 L92 R93	E65-V98 HydrophobicContact CG-CB 4.1Å; E65-V98 HydrophobicContact CG-CG1 4.12Å; L68-V98 HydrophobicContact CB-CG1 4.48Å; L68-V98 HydrophobicContact CB-CG2 3.8Å; L68-V98 HydrophobicContact CD1-CG1 3.64Å; L68-V98 HydrophobicContact CD1-CG2 4.42Å; L92-V98 CarbonylContact O-C 3.34Å; L92-V98 WeakPolarHBondContact O-CA 3.38Å; R93-V98 HydrophobicContact CB-CG2 4.49Å
99	Y	78.3	Confident	72	Confident	60 Å²	60	54.6 Å²	54.6	24%	0.235	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	141.4	-178.6	-63	-94.7	0	0	0	108.8	S91 L92 R97 Q456	S91-Y99 CarbonylContact C-O 3.59Å; S91-Y99 VanDerWaalsContact CA-O 3.32Å; S91-Y99 WeakPolarHBondContact CA-O 3.34Å; L92-Y99 PolarHBondContact N-O 2.94Å; L92-Y99 PolarHBondContact O-N 3.15Å; R97-Y99 HydrophobicContact CB-CE2 3.76Å; Y99-Q456 PolarHBondContact OH-NE2 3.3Å; Y99-Q456 VanDerWaalsContact OH-NE2 3.13Å
100	H	82.6	Confident	70.5	Confident	38 Å²	38	60.1 Å²	60.1	18%	0.176	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.8	-178.5	-58.5	-90.3	0	0	0	110.2	R61 E65 V90 S91	R61-H100 PolarHBondContact NE-CD2 3.17Å; R61-H100 PolarHBondContact NH2-CD2 3.35Å; R61-H100 VanDerWaalsContact NH2-CD2 3.29Å; E65-H100 VanDerWaalsContact CG-NE2 3.28Å; E65-H100 WeakPolarHBondContact CG-NE2 3.03Å; E65-H100 IonicContact OE1-CD2 2.75Å; E65-H100 IonicContact OE1-NE2 2.61Å; E65-H100 PolarHBondContact OE1-NE2 2.67Å; V90-H100 CarbonylContact O-C 3.3Å; V90-H100 WeakPolarHBondContact O-CA 3.28Å; S91-H100 WeakPolarHBondContact CB-ND1 3.33Å; S91-H100 PolarHBondContact OG-CE1 2.91Å; S91-H100 PolarHBondContact OG-ND1 2.66Å
101	Y	78.3	Confident	69.2	Low	38 Å²	38	63 Å²	63	15%	0.149	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.3	-177.7	-56.1	-84.8	0	0	0	108.9	S89 V90 L92 Y115 M460	S89-Y101 CarbonylContact C-O 3.52Å; S89-Y101 WeakPolarHBondContact CA-O 3.44Å; V90-Y101 PolarHBondContact N-O 3.41Å; V90-Y101 PolarHBondContact O-N 3.13Å; L92-Y101 HydrophobicContact CB-CE2 4.33Å; L92-Y101 HydrophobicContact CD2-CE2 4.26Å; Y101-Y115 HydrophobicContact CE1-CE2 4.18Å; Y101-M460 HydrophobicContact CD1-CE 4.36Å; Y101-M460 HydrophobicContact CD2-CE 3.6Å; Y101-M460 HydrophobicContact CE2-CE 3.99Å; Y101-M460 HydrophobicContact CG-CE 3.8Å
102	R	79.3	Confident	67.6	Low	119 Å²	119	64.9 Å²	64.9	45%	0.449	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	130.7	170.2	-168.7	-176.9	-64.6	146.8	-1.1	108.6	S83	S83-R102 PolarHBondContact OG-NH2 2.97Å
103	L	71.6	Confident	66.4	Low	6 Å²	6	65 Å²	65	3%	0.031	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-84.4	131.4	167.2	-58.3	-177.9	0	0	0	107.9	Q87 I88 V90 V111 C113 V464	Q87-L103 PolarHBondContact OE1-O 2.84Å; I88-L103 HydrophobicContact CB-CD1 4.38Å; I88-L103 HydrophobicContact CG2-CD1 3.89Å; I88-L103 PolarHBondContact O-N 3.4Å; V90-L103 HydrophobicContact CG2-CD1 3.89Å; V90-L103 HydrophobicContact CG2-CD2 3.85Å; V90-L103 HydrophobicContact CG2-CG 3.93Å; L103-V111 HydrophobicContact CB-CG1 3.52Å; L103-V111 HydrophobicContact CD1-CG1 3.67Å; L103-V111 HydrophobicContact CG-CG1 4.12Å; L103-C113 HydrophobicContact CD2-CB 3.85Å; L103-V464 HydrophobicContact CD2-CG1 4.21Å
104	N	67	Low	65.1	Low	52 Å²	52	72 Å²	72	28%	0.278	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	158.6	173.3	-48.9	-72.3	0	0	0	108.8	V111 F112	N104-V111 CarbonylContact O-C 3.55Å; N104-V111 WeakPolarHBondContact O-CA 3.39Å; N104-F112 HydrophobicContact CB-CD1 4.37Å; N104-F112 HydrophobicContact CB-CE1 3.86Å; N104-F112 HydrophobicContact CB-CE2 4.05Å; N104-F112 HydrophobicContact CB-CZ 3.68Å; N104-F112 PolarHBondContact N-O 3.11Å; N104-F112 WeakPolarHBondContact O-CD1 3.22Å; N104-F112 PolarHBondContact O-N 3.36Å
105	E	62.6	Low	63.8	Low	106 Å²	106	74.3 Å²	74.3	50%	0.495	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	141.8	169	-59.1	-165.3	149.2	0	0	110.1	K110 V111	E105-K110 WeakPolarHBondContact CA-O 3.32Å; E105-V111 HydrophobicContact CG-CG2 4.28Å
106	D	63	Low	61.7	Low	58 Å²	58	76.3 Å²	76.3	31%	0.31	38%	0.375	S	S	.	.			trans	-86.6	-178.5	169.9	71.2	12.6	0	0	0	111.5	D108 G109 K110 F112	D106-D108 PolarHBondContact O-N 3.31Å; D106-D108 WeakPolarHBondContact OD1-CA 3.06Å; D106-D108 WeakPolarHBondContact OD1-CB 3.46Å; D106-D108 PolarHBondContact OD1-N 2.72Å; D106-G109 VanDerWaalsContact O-CA 3.29Å; D106-G109 WeakPolarHBondContact O-CA 3.48Å; D106-G109 PolarHBondContact O-N 3.16Å; D106-G109 PolarHBondContact OD1-N 2.89Å; D106-K110 PolarHBondContact N-O 3.18Å; D106-K110 WeakPolarHBondContact OD1-CB 3.27Å; D106-K110 PolarHBondContact OD1-N 2.82Å; D106-K110 WeakPolarHBondContact OD2-CB 3.33Å; D106-K110 WeakPolarHBondContact OD2-CD 3.4Å; D106-F112 HydrophobicContact CB-CD1 4.13Å; D106-F112 HydrophobicContact CB-CE1 3.84Å
107	S	68.3	Low	59.9	Low	123 Å²	123	80.7 Å²	80.7	86%	0.86	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.8	179.3	50.5	0	0	0	0	114.1
108	D	55.4	Low	57.6	Low	98 Å²	98	76.3 Å²	76.3	52%	0.524	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-5.5	173.6	-54.7	-14	0	0	0	110.8	D106 K110 K472	D106-D108 PolarHBondContact O-N 3.31Å; D106-D108 WeakPolarHBondContact OD1-CA 3.06Å; D106-D108 WeakPolarHBondContact OD1-CB 3.46Å; D106-D108 PolarHBondContact OD1-N 2.72Å; D108-K110 VanDerWaalsContact C-N 3.33Å; D108-K110 HydrophobicContact CB-CD 4.32Å; D108-K110 HydrophobicContact CB-CG 4.18Å; D108-K110 WeakPolarHBondContact OD2-CE 3.45Å; D108-K110 IonicContact OD2-NZ 2.68Å; D108-K110 PolarHBondContact OD2-NZ 3.07Å; D108-K472 PolarHBondContact O-NZ 3.01Å
109	G	54.8	Low	55.3	Low	14 Å²	14	81.4 Å²	81.4	14%	0.144	41%	0.414	C	S	.	.			trans	60	40.4	-168.6	0	0	0	0	0	112.2	D106 K472	D106-G109 VanDerWaalsContact O-CA 3.29Å; D106-G109 WeakPolarHBondContact O-CA 3.48Å; D106-G109 PolarHBondContact O-N 3.16Å; D106-G109 PolarHBondContact OD1-N 2.89Å; G109-K472 VanDerWaalsContact CA-NZ 3.31Å; G109-K472 VanDerWaalsContact O-CE 3.28Å; G109-K472 WeakPolarHBondContact O-CE 3.42Å; G109-K472 PolarHBondContact O-NZ 3.5Å
110	K	51.5	Low	52.7	Low	124 Å²	124	83.2 Å²	83.2	54%	0.539	43%	0.431	S	S	.	.			trans	-82.4	137.5	161.2	-59	164.3	-174.3	142.4	0	107.9	E105 D106 D108	E105-K110 WeakPolarHBondContact CA-O 3.32Å; D106-K110 PolarHBondContact N-O 3.18Å; D106-K110 WeakPolarHBondContact OD1-CB 3.27Å; D106-K110 PolarHBondContact OD1-N 2.82Å; D106-K110 WeakPolarHBondContact OD2-CB 3.33Å; D106-K110 WeakPolarHBondContact OD2-CD 3.4Å; D108-K110 VanDerWaalsContact C-N 3.33Å; D108-K110 HydrophobicContact CB-CD 4.32Å; D108-K110 HydrophobicContact CB-CG 4.18Å; D108-K110 WeakPolarHBondContact OD2-CE 3.45Å; D108-K110 IonicContact OD2-NZ 2.68Å; D108-K110 PolarHBondContact OD2-NZ 3.07Å
111	V	53.4	Low	50	Low	63 Å²	63	83.3 Å²	83.3	38%	0.382	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	124.9	-176.9	-174.5	0	0	0	0	109.5	L103 N104 E105	L103-V111 HydrophobicContact CB-CG1 3.52Å; L103-V111 HydrophobicContact CD1-CG1 3.67Å; L103-V111 HydrophobicContact CG-CG1 4.12Å; N104-V111 CarbonylContact O-C 3.55Å; N104-V111 WeakPolarHBondContact O-CA 3.39Å; E105-V111 HydrophobicContact CG-CG2 4.28Å
112	F	48.6	Very low	47.6	Very low	39 Å²	39	86.6 Å²	86.6	17%	0.171	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	140.5	-178.9	70.9	-85.5	0	0	0	113.1	N104 D106 R114 T120	N104-F112 HydrophobicContact CB-CD1 4.37Å; N104-F112 HydrophobicContact CB-CE1 3.86Å; N104-F112 HydrophobicContact CB-CE2 4.05Å; N104-F112 HydrophobicContact CB-CZ 3.68Å; N104-F112 PolarHBondContact N-O 3.11Å; N104-F112 WeakPolarHBondContact O-CD1 3.22Å; N104-F112 PolarHBondContact O-N 3.36Å; D106-F112 HydrophobicContact CB-CD1 4.13Å; D106-F112 HydrophobicContact CB-CE1 3.84Å; F112-R114 HydrophobicContact CD2-CB 4.25Å; F112-R114 HydrophobicContact CE2-CB 3.95Å; F112-R114 HydrophobicContact CE2-CG 4.5Å; F112-T120 HydrophobicContact CB-CG2 4.2Å
113	C	47.6	Very low	45.1	Very low	12 Å²	12	81.2 Å²	81.2	8%	0.081	44%	0.435	C	S	.	.			trans	-87.2	118.9	165.2	-176.4	0	0	0	0	108.7	L103 Y115 V464	L103-C113 HydrophobicContact CD2-CB 3.85Å; C113-Y115 PolarHBondContact O-N 3.42Å; C113-Y115 VanDerWaalsContact O-N 3.16Å; C113-V464 HydrophobicContact CB-CG1 3.88Å; C113-V464 HydrophobicContact CB-CG2 4.1Å
114	R	46	Very low	42.9	Very low	195 Å²	195	85.9 Å²	85.9	74%	0.736	46%	0.459	S	S	*	.			trans	-80.7	96.5	175.6	-167	176.8	-79.3	171.5	-1.6	109.3	F112	F112-R114 HydrophobicContact CD2-CB 4.25Å; F112-R114 HydrophobicContact CE2-CB 3.95Å; F112-R114 HydrophobicContact CE2-CG 4.5Å
115	Y	41.2	Very low	40.9	Very low	65 Å²	65	86.6 Å²	86.6	26%	0.255	47%	0.472	S	S	.	.			trans	-78.7	150.1	166.3	-139.2	-106.3	0	0	0	109.8	Y101 C113 E457 M460	Y101-Y115 HydrophobicContact CE1-CE2 4.18Å; C113-Y115 PolarHBondContact O-N 3.42Å; C113-Y115 VanDerWaalsContact O-N 3.16Å; Y115-E457 HydrophobicContact CD1-CG 4.39Å; Y115-E457 HydrophobicContact CE1-CB 4.32Å; Y115-E457 HydrophobicContact CE1-CG 4.03Å; Y115-M460 HydrophobicContact CE2-CG 4.5Å
116	I	29.9	Very low	39.1	Very low	146 Å²	146	87.2 Å²	87.2	75%	0.749	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	139.3	164.1	-57.5	173.5	0	0	0	106.1
117	D	29.1	Very low	37.5	Very low	142 Å²	142	87.3 Å²	87.3	76%	0.759	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	17.7	-173.4	-54.2	-14.6	0	0	0	118.3	K119	D117-K119 PolarHBondContact O-N 2.88Å
118	G	26.7	Very low	35.4	Very low	74 Å²	74	87.1 Å²	87.1	76%	0.763	48%	0.48	S	S	*	.	S	Bend	trans	70.4	25.7	146.5	0	0	0	0	0	118
119	K	25.1	Very low	34.1	Very low	138 Å²	138	86.6 Å²	86.6	60%	0.6	48%	0.484	S	S	*	.			trans	-125.6	119.8	175.6	-68.7	179.7	-178.4	174.2	0	112.6	D117	D117-K119 PolarHBondContact O-N 2.88Å
120	T	24.7	Very low	32.8	Very low	98 Å²	98	93.1 Å²	93.1	60%	0.601	51%	0.509	S	S	*	.			trans	-87.1	132.7	172.1	-39	0	0	0	0	109.5	F112	F112-T120 HydrophobicContact CB-CG2 4.2Å
121	C	25.7	Very low	31.7	Very low	39 Å²	39	95.6 Å²	95.6	26%	0.264	52%	0.522	S	S	.	.			trans	-138.3	-168.6	-175.9	-80.5	0	0	0	0	112.4	R461 V464	C121-R461 HydrophobicContact CB-CB 3.71Å; C121-R461 HydrophobicContact CB-CG 3.67Å; C121-V464 CarbonylContact O-C 3.52Å; C121-V464 VanDerWaalsContact O-C 3.28Å; C121-V464 WeakPolarHBondContact O-CB 3.47Å
122	L	27.3	Very low	30.4	Very low	107 Å²	107	100.7 Å²	100.7	56%	0.56	54%	0.535	S	S	*	.			trans	-141.6	111.9	-151.9	-115	56.5	0	0	0	119.2	R461 Q462 G465	L122-R461 CarbonylContact C-O 3.53Å; L122-R461 PolarHBondContact N-O 2.93Å; L122-Q462 CarbonylContact O-C 3.52Å; L122-G465 VanDerWaalsContact CA-CA 3.49Å; L122-G465 VanDerWaalsContact CD1-CA 3.47Å; L122-G465 WeakPolarHBondContact CG-O 3.45Å
123	L	28.4	Very low	29.3	Very low	7 Å²	7	107.4 Å²	107.4	4%	0.037	57%	0.566	C	S	.	*			trans	-65.5	126	-176	-150.4	170.3	0	0	0	118.3	F76 Q462 V463 V464 H466 F467	F76-L123 HydrophobicContact CD2-CD1 4.45Å; F76-L123 HydrophobicContact CE1-CD2 3.92Å; F76-L123 HydrophobicContact CE2-CD1 3.99Å; F76-L123 HydrophobicContact CE2-CD2 3.92Å; F76-L123 HydrophobicContact CZ-CD1 4.41Å; F76-L123 HydrophobicContact CZ-CD2 3.48Å; F76-L123 VanDerWaalsContact CZ-CD2 3.48Å; F76-L123 HydrophobicContact CZ-CG 4.48Å; L123-Q462 CarbonylContact C-O 3.58Å; L123-Q462 WeakPolarHBondContact CA-O 3.44Å; L123-V463 VanDerWaalsContact CA-C 3.47Å; L123-V463 VanDerWaalsContact CA-CA 3.4Å; L123-V463 WeakPolarHBondContact CB-O 3.27Å; L123-V463 HydrophobicContact CD1-CG1 4.47Å; L123-V463 VanDerWaalsContact CD1-O 3.22Å; L123-V463 WeakPolarHBondContact CD1-O 3.47Å; L123-V463 HydrophobicContact CG-CB 4.25Å; L123-V463 HydrophobicContact CG-CG1 4.16Å; L123-V463 WeakPolarHBondContact CG-O 3.36Å; L123-V464 VanDerWaalsContact CB-N 3.27Å; L123-V464 VanDerWaalsContact N-C 3.32Å; L123-H466 VanDerWaalsContact O-CB 3.25Å; L123-H466 WeakPolarHBondContact O-CB 3.46Å; L123-H466 PolarHBondContact O-N 2.88Å; L123-H466 PolarHBondContact O-ND1 3.03Å; L123-F467 HydrophobicContact CB-CE2 4.37Å; L123-F467 HydrophobicContact CD1-CE2 3.7Å; L123-F467 HydrophobicContact CD1-CZ 4.2Å
124	I	25.6	Very low	28.1	Very low	104 Å²	104	110 Å²	110	53%	0.533	59%	0.585	S	S	.	*			trans	-126.3	159.8	155.7	-148.4	175.2	0	0	0	113.1	Q462 H466	I124-Q462 PolarHBondContact N-O 3.26Å; I124-Q462 VanDerWaalsContact N-O 3.11Å; I124-H466 WeakPolarHBondContact CD1-CE1 3.5Å; I124-H466 VanDerWaalsContact CD1-NE2 3.31Å; I124-H466 WeakPolarHBondContact CD1-NE2 3.49Å; I124-H466 WeakPolarHBondContact CG1-CE1 3.43Å
125	A	24.7	Very low	27	Very low	66 Å²	66	109.8 Å²	109.8	55%	0.545	59%	0.589	S	S	.	*			trans	-45.6	149.5	-170.6	0	0	0	0	0	119.9
126	L	24.5	Very low	26.2	Very low	120 Å²	120	112.4 Å²	112.4	63%	0.628	60%	0.602	S	S	*	*				-137.5	141.1	111.4	-91.4	177.3	0	0	0	109	I72	I72-L126 HydrophobicContact CD1-CD1 4.33Å
127	S	28.1	Very low	25.9	Very low	60 Å²	60	108.9 Å²	108.9	42%	0.42	59%	0.591	S	S	.	*			trans	-124.5	137.5	-174.5	169.7	0	0	0	0	110.8	T53	T53-S127 WeakPolarHBondContact CB-OG 3.5Å; T53-S127 VanDerWaalsContact OG1-CB 3.3Å; T53-S127 WeakPolarHBondContact OG1-CB 3.33Å; T53-S127 PolarHBondContact OG1-OG 3.19Å
128	C	25.8	Very low	25.8	Very low	118 Å²	118	112.2 Å²	112.2	80%	0.797	59%	0.594	S	S	*	*			trans	-85.9	111.7	174.7	-171.3	0	0	0	0	110.6
129	S	28.2	Very low	25.7	Very low	87 Å²	87	115.8 Å²	115.8	61%	0.608	59%	0.591	S	S	*	*			trans	-92.3	152.3	-179	-170.6	0	0	0	0	112.8
130	K	26.9	Very low	25.8	Very low	151 Å²	151	114.8 Å²	114.8	66%	0.657	60%	0.596	S	S	*	*			trans	-130.8	124.6	165	-83.6	-163.9	171.1	-160.2	0	109.6	E246	K130-E246 IonicContact NZ-OE1 3.16Å; K130-E246 PolarHBondContact NZ-OE1 3.43Å; K130-E246 IonicContact NZ-OE2 3.86Å; K130-E246 PolarHBondContact NZ-OE2 3.35Å
131	E	27.2	Very low	26	Very low	176 Å²	176	113.6 Å²	113.6	82%	0.822	59%	0.589	S	S	*	*			trans	-121.2	166.5	175.3	-68.2	-172.4	163.1	0	0	112.1
132	R	26.1	Very low	26.1	Very low	171 Å²	171	117.7 Å²	117.7	65%	0.645	61%	0.608	S	S	*	*			trans	-137.2	139.3	-167.6	-67.4	173.3	168.7	177.3	-3.7	112.5
133	H	26.3	Very low	26.4	Very low	180 Å²	180	116.1 Å²	116.1	83%	0.833	60%	0.6	S	S	*	*			trans	-155.5	125	157.9	-75.6	-70.2	0	0	0	107.2
134	S	22.9	Very low	26.5	Very low	66 Å²	66	120.8 Å²	120.8	46%	0.462	63%	0.633	S	S	.	*			cis	105.2	96.9	41.1	67.4	0	0	0	0	112.9
135	F	23.7	Very low	27.2	Very low	191 Å²	191	117.1 Å²	117.1	84%	0.838	62%	0.621	S	S	*	*				179.5	163.2	126.3	-121	-100.7	0	0	0	112.6
136	F	22.9	Very low	27.8	Very low	120 Å²	120	117 Å²	117	53%	0.526	63%	0.626	S	S	.	*			trans	-90.4	127.1	-176.4	-79.9	-161.1	0	0	0	113.6	Y156 K158	F136-Y156 HydrophobicContact CD2-CE1 4.3Å; F136-K158 HydrophobicContact CB-CD 4.42Å; F136-K158 HydrophobicContact CD1-CB 4.02Å; F136-K158 HydrophobicContact CD1-CD 3.44Å; F136-K158 VanDerWaalsContact CD1-CD 3.44Å; F136-K158 HydrophobicContact CD1-CG 3.61Å; F136-K158 HydrophobicContact CD2-CB 4.27Å; F136-K158 HydrophobicContact CD2-CG 3.86Å; F136-K158 HydrophobicContact CE1-CB 3.49Å; F136-K158 VanDerWaalsContact CE1-CB 3.49Å; F136-K158 HydrophobicContact CE1-CD 3.75Å; F136-K158 HydrophobicContact CE1-CG 3.65Å; F136-K158 HydrophobicContact CE2-CB 3.77Å; F136-K158 HydrophobicContact CE2-CG 3.9Å; F136-K158 VanDerWaalsContact CE2-O 3.23Å; F136-K158 WeakPolarHBondContact CE2-O 3.44Å; F136-K158 HydrophobicContact CG-CB 4.39Å; F136-K158 HydrophobicContact CG-CD 3.88Å; F136-K158 HydrophobicContact CG-CG 3.73Å; F136-K158 HydrophobicContact CZ-CB 3.36Å; F136-K158 HydrophobicContact CZ-CD 4.43Å; F136-K158 HydrophobicContact CZ-CG 3.81Å; F136-K158 VanDerWaalsContact CZ-O 3.24Å; F136-K158 WeakPolarHBondContact CZ-O 3.41Å
137	S	23.5	Very low	28.9	Very low	72 Å²	72	112.4 Å²	112.4	50%	0.503	61%	0.607	S	S	.	*			trans	-136.2	171	145.3	74.3	0	0	0	0	109	K158	S137-K158 WeakPolarHBondContact O-CE 3.39Å; S137-K158 PolarHBondContact O-NZ 3.1Å
138	Y	27.2	Very low	29.9	Very low	212 Å²	212	116.1 Å²	116.1	83%	0.831	62%	0.618	S	S	*	*			trans	-110.3	119.1	159.2	18.1	-117.6	0	0	0	106.2
139	Q	24.3	Very low	31	Very low	149 Å²	149	112 Å²	112	70%	0.696	59%	0.586	S	S	*	*			trans	-132.7	110.6	168.2	-168.3	165.6	7.7	0	0	104.7	V141	Q139-V141 PolarHBondContact O-N 3.47Å
140	T	27.7	Very low	32.2	Very low	116 Å²	116	107.9 Å²	107.9	71%	0.712	56%	0.557	S	S	*	*			trans	-64.2	103.3	163.9	39.1	0	0	0	0	106.3
141	V	29.5	Very low	33.5	Very low	73 Å²	73	103 Å²	103	44%	0.442	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	119.7	166.8	-175.4	0	0	0	0	105.7	Q139 L143	Q139-V141 PolarHBondContact O-N 3.47Å; V141-L143 VanDerWaalsContact C-N 3.27Å; V141-L143 PolarHBondContact O-N 2.97Å
142	D	28.3	Very low	35	Very low	126 Å²	126	96.2 Å²	96.2	67%	0.674	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	80.8	-172.7	-160.5	4.7	0	0	0	110.2	S144	D142-S144 VanDerWaalsContact C-N 3.26Å; D142-S144 PolarHBondContact O-N 3.24Å; D142-S144 VanDerWaalsContact O-N 3.13Å
143	L	33.2	Very low	36.1	Very low	74 Å²	74	91.6 Å²	91.6	39%	0.387	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	85.9	161.7	-69.8	178.4	0	0	0	107	V141 G145 V152 E154	V141-L143 VanDerWaalsContact C-N 3.27Å; V141-L143 PolarHBondContact O-N 2.97Å; L143-G145 PolarHBondContact O-N 3.02Å; L143-V152 VanDerWaalsContact O-O 3.09Å; L143-E154 HydrophobicContact CD1-CB 3.86Å
144	S	29.8	Very low	37.5	Very low	105 Å²	105	86 Å²	86	73%	0.734	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	55.3	179.6	68	0	0	0	0	112.5	D142 G146	D142-S144 VanDerWaalsContact C-N 3.26Å; D142-S144 PolarHBondContact O-N 3.24Å; D142-S144 VanDerWaalsContact O-N 3.13Å; S144-G146 VanDerWaalsContact C-N 3.33Å; S144-G146 PolarHBondContact O-N 3.11Å
145	G	39.8	Very low	38.9	Very low	26 Å²	26	84.5 Å²	84.5	27%	0.268	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	78.1	164.7	0	0	0	0	0	109.1	L143 G147	L143-G145 PolarHBondContact O-N 3.02Å; G145-G147 PolarHBondContact O-N 3.42Å
146	G	37.1	Very low	40.5	Very low	65 Å²	65	78.8 Å²	78.8	67%	0.67	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	96.7	179.2	0	0	0	0	0	111.3	S144	S144-G146 VanDerWaalsContact C-N 3.33Å; S144-G146 PolarHBondContact O-N 3.11Å
147	G	47.5	Very low	42.3	Very low	22 Å²	22	76.6 Å²	76.6	23%	0.227	42%	0.419	C	S	.	.			trans	-76.9	152.1	176.8	0	0	0	0	0	112.2	G145 Y149 G150 K170	G145-G147 PolarHBondContact O-N 3.42Å; G147-Y149 PolarHBondContact O-N 3.43Å; G147-Y149 VanDerWaalsContact O-N 3.15Å; G147-G150 VanDerWaalsContact CA-O 3.28Å; G147-G150 WeakPolarHBondContact CA-O 3.32Å; G147-G150 PolarHBondContact N-O 3.26Å; G147-G150 PolarHBondContact O-N 2.99Å; G147-K170 PolarHBondContact O-NZ 3.16Å
148	Q	49.2	Very low	43.4	Very low	139 Å²	139	75.6 Å²	75.6	65%	0.65	41%	0.406	S	S	*	.	S	Bend	trans	-57.1	-28.9	175.9	179.2	174.2	-17.1	0	0	112.5
149	Y	50.1	Low	44.6	Very low	32 Å²	32	75.3 Å²	75.3	13%	0.125	40%	0.403	C	S	.	.	S	Bend	trans	-109.7	-10.4	-171.9	-57.1	-75.7	0	0	0	114.7	G147 E178 L257	G147-Y149 PolarHBondContact O-N 3.43Å; G147-Y149 VanDerWaalsContact O-N 3.15Å; Y149-E178 VanDerWaalsContact CE1-OE2 3.32Å; Y149-E178 WeakPolarHBondContact CE1-OE2 3.47Å; Y149-L257 WeakPolarHBondContact OH-CD2 3.45Å
150	G	53.6	Low	46.2	Very low	0 Å²	0	72.2 Å²	72.2	0%	0	39%	0.388	C	S	.	.			trans	165.1	159.5	-168.5	0	0	0	0	0	111.8	G147 T168	G147-G150 VanDerWaalsContact CA-O 3.28Å; G147-G150 WeakPolarHBondContact CA-O 3.32Å; G147-G150 PolarHBondContact N-O 3.26Å; G147-G150 PolarHBondContact O-N 2.99Å; G150-T168 WeakPolarHBondContact CA-O 3.24Å
151	D	54.5	Low	47.6	Very low	49 Å²	49	69.5 Å²	69.5	26%	0.262	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	143.1	179.8	-51	-51	0	0	0	109.2	Y153 K167 T168 K170	D151-Y153 HydrophobicContact CB-CE2 3.85Å; D151-K167 WeakPolarHBondContact O-CA 3.12Å; D151-T168 PolarHBondContact O-N 2.8Å; D151-T168 PolarHBondContact O-OG1 3.4Å; D151-K170 VanDerWaalsContact CG-CE 3.43Å; D151-K170 WeakPolarHBondContact OD1-CE 3.4Å; D151-K170 IonicContact OD1-NZ 2.71Å; D151-K170 PolarHBondContact OD1-NZ 3.21Å; D151-K170 WeakPolarHBondContact OD2-CE 3.43Å; D151-K170 IonicContact OD2-NZ 2.72Å
152	V	57.9	Low	49	Very low	33 Å²	33	70.7 Å²	70.7	20%	0.2	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	115.7	-174.6	-179.2	0	0	0	0	110	L143 A165 V166 K167	L143-V152 VanDerWaalsContact O-O 3.09Å; V152-A165 HydrophobicContact CG1-CB 4.05Å; V152-V166 WeakPolarHBondContact CA-O 3.28Å; V152-K167 HydrophobicContact CG2-CB 4.28Å; V152-K167 HydrophobicContact CG2-CG 3.96Å
153	Y	48.7	Very low	50.6	Low	73 Å²	73	66.5 Å²	66.5	29%	0.286	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	143.7	-179	-56.6	-90	0	0	0	111.1	D151 A165 V166 T168	D151-Y153 HydrophobicContact CB-CE2 3.85Å; Y153-A165 CarbonylContact O-C 3.54Å; Y153-A165 WeakPolarHBondContact O-CA 3.16Å; Y153-V166 PolarHBondContact N-O 3.32Å; Y153-V166 PolarHBondContact O-N 3.32Å; Y153-T168 HydrophobicContact CD2-CG2 3.76Å; Y153-T168 HydrophobicContact CE2-CG2 3.58Å
154	E	56.2	Low	52	Low	63 Å²	63	63 Å²	63	29%	0.294	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	134.1	157.7	-174.2	173.8	-175.4	0	0	109.2	L143 S163	L143-E154 HydrophobicContact CD1-CB 3.86Å; E154-S163 PolarHBondContact OE1-OG 3.04Å
155	A	51.8	Low	53.6	Low	35 Å²	35	59 Å²	59	29%	0.289	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	160.3	174.6	0	0	0	0	0	111	S163 V164 V166	A155-S163 CarbonylContact O-C 3.56Å; A155-S163 WeakPolarHBondContact O-CA 3.25Å; A155-V164 HydrophobicContact CB-CG2 4.23Å; A155-V164 PolarHBondContact N-O 3.22Å; A155-V164 VanDerWaalsContact O-CG2 3.32Å; A155-V164 WeakPolarHBondContact O-CG2 3.44Å; A155-V164 PolarHBondContact O-N 2.85Å; A155-V166 HydrophobicContact CB-CG2 3.52Å
156	Y	57	Low	54.4	Low	70 Å²	70	58.5 Å²	58.5	28%	0.275	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	112.4	175.7	-164.9	-108.1	0	0	0	110.8	F136 K158 N161	F136-Y156 HydrophobicContact CD2-CE1 4.3Å; Y156-K158 HydrophobicContact CD1-CG 3.94Å; Y156-K158 PolarHBondContact O-N 3.29Å; Y156-N161 WeakPolarHBondContact OH-CA 3.32Å; Y156-N161 PolarHBondContact OH-ND2 3.49Å; Y156-N161 PolarHBondContact OH-OD1 2.87Å; Y156-N161 VanDerWaalsContact OH-OD1 3.1Å
157	W	60.8	Low	55.5	Low	74 Å²	74	56 Å²	56	28%	0.28	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	74.6	173.2	-160	6.9	0	0	0	111.8	R159 F160 N161 R162 V164 L198 L204	W157-R159 VanDerWaalsContact C-N 3.27Å; W157-R159 PolarHBondContact O-N 2.87Å; W157-F160 AromaticContact CD2-CD2 3.56Å; W157-F160 HydrophobicContact CD2-CD2 3.56Å; W157-F160 HydrophobicContact CD2-CE2 4.14Å; W157-F160 AromaticContact CE2-CD2 3.58Å; W157-F160 AromaticContact CE2-CE2 3.72Å; W157-F160 AromaticContact CE3-CD2 3.74Å; W157-F160 HydrophobicContact CE3-CD2 3.74Å; W157-F160 HydrophobicContact CE3-CE2 4.25Å; W157-F160 HydrophobicContact CG-CD2 4.17Å; W157-F160 HydrophobicContact CH2-CD2 4.01Å; W157-F160 AromaticContact CH2-CE2 3.64Å; W157-F160 HydrophobicContact CH2-CE2 3.64Å; W157-F160 AromaticContact CZ2-CD2 3.85Å; W157-F160 HydrophobicContact CZ2-CD2 3.85Å; W157-F160 AromaticContact CZ2-CE2 3.5Å; W157-F160 HydrophobicContact CZ2-CE2 3.5Å; W157-F160 VanDerWaalsContact CZ2-CE2 3.5Å; W157-F160 AromaticContact CZ3-CD2 3.93Å; W157-F160 HydrophobicContact CZ3-CD2 3.93Å; W157-F160 HydrophobicContact CZ3-CE2 4Å; W157-F160 PolarHBondContact O-N 2.99Å; W157-N161 PolarHBondContact O-N 3.39Å; W157-N161 VanDerWaalsContact O-N 3.16Å; W157-R162 WeakPolarHBondContact CA-O 3.33Å; W157-R162 PolarHBondContact N-O 3.48Å; W157-V164 HydrophobicContact CB-CG1 3.87Å; W157-V164 HydrophobicContact CB-CG2 3.92Å; W157-V164 HydrophobicContact CE3-CG1 4.35Å; W157-L198 HydrophobicContact CE3-CB 4.42Å; W157-L198 VanDerWaalsContact CH2-O 3.29Å; W157-L198 WeakPolarHBondContact CH2-O 3.28Å; W157-L198 HydrophobicContact CZ3-CB 3.76Å; W157-L198 WeakPolarHBondContact CZ3-O 3.27Å; W157-L204 HydrophobicContact CD2-CD1 3.79Å; W157-L204 HydrophobicContact CE3-CD1 3.62Å; W157-L204 HydrophobicContact CH2-CD1 3.64Å; W157-L204 HydrophobicContact CZ2-CD1 3.8Å; W157-L204 HydrophobicContact CZ3-CD1 3.56Å
158	K	47.8	Very low	55.8	Low	51 Å²	51	57.1 Å²	57.1	22%	0.222	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-24.2	-54	169	-78.2	-178.9	174.3	-171.5	0	115.4	F136 S137 Y156 F160 N161	F136-K158 HydrophobicContact CB-CD 4.42Å; F136-K158 HydrophobicContact CD1-CB 4.02Å; F136-K158 HydrophobicContact CD1-CD 3.44Å; F136-K158 VanDerWaalsContact CD1-CD 3.44Å; F136-K158 HydrophobicContact CD1-CG 3.61Å; F136-K158 HydrophobicContact CD2-CB 4.27Å; F136-K158 HydrophobicContact CD2-CG 3.86Å; F136-K158 HydrophobicContact CE1-CB 3.49Å; F136-K158 VanDerWaalsContact CE1-CB 3.49Å; F136-K158 HydrophobicContact CE1-CD 3.75Å; F136-K158 HydrophobicContact CE1-CG 3.65Å; F136-K158 HydrophobicContact CE2-CB 3.77Å; F136-K158 HydrophobicContact CE2-CG 3.9Å; F136-K158 VanDerWaalsContact CE2-O 3.23Å; F136-K158 WeakPolarHBondContact CE2-O 3.44Å; F136-K158 HydrophobicContact CG-CB 4.39Å; F136-K158 HydrophobicContact CG-CD 3.88Å; F136-K158 HydrophobicContact CG-CG 3.73Å; F136-K158 HydrophobicContact CZ-CB 3.36Å; F136-K158 HydrophobicContact CZ-CD 4.43Å; F136-K158 HydrophobicContact CZ-CG 3.81Å; F136-K158 VanDerWaalsContact CZ-O 3.24Å; F136-K158 WeakPolarHBondContact CZ-O 3.41Å; S137-K158 WeakPolarHBondContact O-CE 3.39Å; S137-K158 PolarHBondContact O-NZ 3.1Å; Y156-K158 HydrophobicContact CD1-CG 3.94Å; Y156-K158 PolarHBondContact O-N 3.29Å; K158-F160 VanDerWaalsContact C-N 3.28Å; K158-F160 PolarHBondContact O-N 3.49Å; K158-N161 PolarHBondContact O-N 3.2Å
159	R	52.8	Low	55.9	Low	206 Å²	206	53.5 Å²	53.5	78%	0.777	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-59.9	-32.1	-178	-179.2	174.7	176.8	175.5	-0.9	114.2	W157	W157-R159 VanDerWaalsContact C-N 3.27Å; W157-R159 PolarHBondContact O-N 2.87Å
160	F	56.6	Low	56	Low	84 Å²	84	55.5 Å²	55.5	37%	0.368	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-112	6.6	-176	-64.6	-81.3	0	0	0	113.1	W16 W157 K158 R162	W16-F160 HydrophobicContact CH2-CE1 4.07Å; W157-F160 AromaticContact CD2-CD2 3.56Å; W157-F160 HydrophobicContact CD2-CD2 3.56Å; W157-F160 HydrophobicContact CD2-CE2 4.14Å; W157-F160 AromaticContact CE2-CD2 3.58Å; W157-F160 AromaticContact CE2-CE2 3.72Å; W157-F160 AromaticContact CE3-CD2 3.74Å; W157-F160 HydrophobicContact CE3-CD2 3.74Å; W157-F160 HydrophobicContact CE3-CE2 4.25Å; W157-F160 HydrophobicContact CG-CD2 4.17Å; W157-F160 HydrophobicContact CH2-CD2 4.01Å; W157-F160 AromaticContact CH2-CE2 3.64Å; W157-F160 HydrophobicContact CH2-CE2 3.64Å; W157-F160 AromaticContact CZ2-CD2 3.85Å; W157-F160 HydrophobicContact CZ2-CD2 3.85Å; W157-F160 AromaticContact CZ2-CE2 3.5Å; W157-F160 HydrophobicContact CZ2-CE2 3.5Å; W157-F160 VanDerWaalsContact CZ2-CE2 3.5Å; W157-F160 AromaticContact CZ3-CD2 3.93Å; W157-F160 HydrophobicContact CZ3-CD2 3.93Å; W157-F160 HydrophobicContact CZ3-CE2 4Å; W157-F160 PolarHBondContact O-N 2.99Å; K158-F160 VanDerWaalsContact C-N 3.28Å; K158-F160 PolarHBondContact O-N 3.49Å; F160-R162 VanDerWaalsContact C-N 3.32Å; F160-R162 PolarHBondContact O-N 3.08Å
161	N	57	Low	55.8	Low	60 Å²	60	65.2 Å²	65.2	32%	0.321	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	50.5	-178.8	-165.5	94.1	0	0	0	112	Y156 W157 K158	Y156-N161 WeakPolarHBondContact OH-CA 3.32Å; Y156-N161 PolarHBondContact OH-ND2 3.49Å; Y156-N161 PolarHBondContact OH-OD1 2.87Å; Y156-N161 VanDerWaalsContact OH-OD1 3.1Å; W157-N161 PolarHBondContact O-N 3.39Å; W157-N161 VanDerWaalsContact O-N 3.16Å; K158-N161 PolarHBondContact O-N 3.2Å
162	R	59.2	Low	55.8	Low	97 Å²	97	68.7 Å²	68.7	37%	0.366	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	130.4	-171.9	-156	-167.1	-170	-162.8	-3.2	109.9	W157 F160 D206	W157-R162 WeakPolarHBondContact CA-O 3.33Å; W157-R162 PolarHBondContact N-O 3.48Å; F160-R162 VanDerWaalsContact C-N 3.32Å; F160-R162 PolarHBondContact O-N 3.08Å; R162-D206 IonicContact CZ-OD1 3.87Å; R162-D206 IonicContact NH1-OD1 2.71Å; R162-D206 PolarHBondContact NH1-OD1 2.8Å; R162-D206 IonicContact NH2-OD1 3.35Å; R162-D206 PolarHBondContact NH2-OD1 3.45Å; R162-D206 IonicContact NH2-OD2 2.7Å
163	S	61.4	Low	55.2	Low	38 Å²	38	72.1 Å²	72.1	27%	0.266	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	153.7	161	-75.9	0	0	0	0	109.8	E154 A155 P207	E154-S163 PolarHBondContact OE1-OG 3.04Å; A155-S163 CarbonylContact O-C 3.56Å; A155-S163 WeakPolarHBondContact O-CA 3.25Å; S163-P207 VanDerWaalsContact O-CD 3.31Å; S163-P207 WeakPolarHBondContact O-CD 3.5Å
164	V	63.2	Low	55.1	Low	2 Å²	2	76.1 Å²	76.1	1%	0.012	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	153.6	179.9	-69.2	0	0	0	0	109.3	A155 W157 V166 L198 L204 A205	A155-V164 HydrophobicContact CB-CG2 4.23Å; A155-V164 PolarHBondContact N-O 3.22Å; A155-V164 VanDerWaalsContact O-CG2 3.32Å; A155-V164 WeakPolarHBondContact O-CG2 3.44Å; A155-V164 PolarHBondContact O-N 2.85Å; W157-V164 HydrophobicContact CB-CG1 3.87Å; W157-V164 HydrophobicContact CB-CG2 3.92Å; W157-V164 HydrophobicContact CE3-CG1 4.35Å; V164-V166 HydrophobicContact CG2-CG2 4.35Å; V164-L198 HydrophobicContact CG1-CD1 3.84Å; V164-L204 HydrophobicContact CG2-CD2 4.09Å; V164-A205 CarbonylContact C-O 3.59Å; V164-A205 WeakPolarHBondContact CA-O 3.25Å; V164-A205 WeakPolarHBondContact CB-O 3.32Å
165	A	62.8	Low	55.1	Low	20 Å²	20	74 Å²	74	17%	0.165	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	151.8	162.2	0	0	0	0	0	110.3	V152 Y153 L204 A205	V152-A165 HydrophobicContact CG1-CB 4.05Å; Y153-A165 CarbonylContact O-C 3.54Å; Y153-A165 WeakPolarHBondContact O-CA 3.16Å; A165-L204 VanDerWaalsContact O-CA 3.29Å; A165-L204 WeakPolarHBondContact O-CA 3.48Å; A165-A205 HydrophobicContact CB-CB 4.22Å; A165-A205 PolarHBondContact N-O 3.23Å; A165-A205 PolarHBondContact O-N 2.94Å
166	V	56.4	Low	55.3	Low	15 Å²	15	76.3 Å²	76.3	9%	0.091	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	109.2	-175.6	177.3	0	0	0	0	109.6	V152 Y153 A155 V164 T168 L202 I203 L204	V152-V166 WeakPolarHBondContact CA-O 3.28Å; Y153-V166 PolarHBondContact N-O 3.32Å; Y153-V166 PolarHBondContact O-N 3.32Å; A155-V166 HydrophobicContact CB-CG2 3.52Å; V164-V166 HydrophobicContact CG2-CG2 4.35Å; V166-T168 HydrophobicContact CG1-CG2 4.4Å; V166-L202 HydrophobicContact CG1-CB 4.35Å; V166-L202 HydrophobicContact CG1-CD2 3.76Å; V166-I203 WeakPolarHBondContact CA-O 3.49Å; V166-L204 HydrophobicContact CG2-CD2 3.74Å
167	K	61.1	Low	55.5	Low	14 Å²	14	78 Å²	78	6%	0.061	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	123.4	168.4	-156.2	-179.6	-158.5	-179.3	0	109.4	D151 V152 F179 E182 I203 D254	D151-K167 WeakPolarHBondContact O-CA 3.12Å; V152-K167 HydrophobicContact CG2-CB 4.28Å; V152-K167 HydrophobicContact CG2-CG 3.96Å; K167-F179 HydrophobicContact CB-CE2 4.48Å; K167-E182 IonicContact NZ-OE1 2.74Å; K167-E182 PolarHBondContact NZ-OE1 3Å; K167-E182 IonicContact NZ-OE2 3.54Å; K167-E182 PolarHBondContact NZ-OE2 3.42Å; K167-I203 HydrophobicContact CB-CB 3.88Å; K167-I203 HydrophobicContact CB-CD1 4.21Å; K167-I203 HydrophobicContact CB-CG1 4.43Å; K167-I203 HydrophobicContact CD-CD1 3.86Å; K167-I203 PolarHBondContact N-O 3.37Å; K167-D254 IonicContact NZ-OD1 3.61Å; K167-D254 PolarHBondContact NZ-OD1 3.35Å
168	T	52.7	Low	55.6	Low	44 Å²	44	78 Å²	78	27%	0.27	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-96.8	153.4	172.4	61.9	0	0	0	0	111.3	G150 D151 Y153 V166	G150-T168 WeakPolarHBondContact CA-O 3.24Å; D151-T168 PolarHBondContact O-N 2.8Å; D151-T168 PolarHBondContact O-OG1 3.4Å; Y153-T168 HydrophobicContact CD2-CG2 3.76Å; Y153-T168 HydrophobicContact CE2-CG2 3.58Å; V166-T168 HydrophobicContact CG1-CG2 4.4Å
169	L	52.1	Low	56.1	Low	63 Å²	63	76.9 Å²	76.9	33%	0.33	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-90.3	127.7	177	-179.4	61.8	0	0	0	110.1	A175 L176 F179	L169-A175 HydrophobicContact CD1-CB 3.51Å; L169-L176 HydrophobicContact CD2-CB 4.03Å; L169-L176 HydrophobicContact CD2-CD1 3.59Å; L169-L176 HydrophobicContact CD2-CG 4.4Å; L169-F179 HydrophobicContact CB-CD2 4.46Å; L169-F179 HydrophobicContact CD1-CB 3.9Å; L169-F179 HydrophobicContact CD1-CD2 4.31Å; L169-F179 HydrophobicContact CD1-CG 4.15Å
170	K	52.3	Low	56.6	Low	74 Å²	74	71.7 Å²	71.7	32%	0.322	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-70.2	148.5	168.2	-72.8	169.2	-179.9	168.6	0	109.6	G147 D151 D172	G147-K170 PolarHBondContact O-NZ 3.16Å; D151-K170 VanDerWaalsContact CG-CE 3.43Å; D151-K170 WeakPolarHBondContact OD1-CE 3.4Å; D151-K170 IonicContact OD1-NZ 2.71Å; D151-K170 PolarHBondContact OD1-NZ 3.21Å; D151-K170 WeakPolarHBondContact OD2-CE 3.43Å; D151-K170 IonicContact OD2-NZ 2.72Å; K170-D172 PolarHBondContact O-N 3.28Å
171	E	50	Low	56.9	Low	205 Å²	205	70.2 Å²	70.2	96%	0.958	38%	0.376	S	S	*	.	S	Bend	trans	-66.3	-3.2	-164.6	-60.4	-168.4	143.7	0	0	115.9
172	D	54.3	Low	57.2	Low	122 Å²	122	67.7 Å²	67.7	65%	0.652	36%	0.362	S	S	*	.			trans	-72.2	134.5	179.9	-72.4	-46.9	0	0	0	114.2	K170 M174 A175	K170-D172 PolarHBondContact O-N 3.28Å; D172-M174 VanDerWaalsContact C-N 3.33Å; D172-M174 PolarHBondContact O-N 3.16Å; D172-A175 WeakPolarHBondContact O-CB 3.35Å; D172-A175 PolarHBondContact O-N 3.36Å; D172-A175 VanDerWaalsContact O-N 3.13Å
173	S	44.4	Very low	57.4	Low	105 Å²	105	63.7 Å²	63.7	73%	0.734	35%	0.35	S	S	*	.	H	α-helix	trans	-64.2	-30.5	-175	63.8	0	0	0	0	114.7	A175 L176	S173-A175 VanDerWaalsContact C-N 3.34Å; S173-L176 PolarHBondContact O-N 2.92Å
174	M	47.7	Very low	57.6	Low	157 Å²	157	65.5 Å²	65.5	77%	0.773	36%	0.36	S	S	*	.	H	α-helix	trans	-66.4	-36.3	176.1	-76.4	-171	-77.6	0	0	112	D172 L176 T177	D172-M174 VanDerWaalsContact C-N 3.33Å; D172-M174 PolarHBondContact O-N 3.16Å; M174-L176 PolarHBondContact O-N 2.8Å; M174-T177 PolarHBondContact O-N 2.94Å
175	A	55.5	Low	57.7	Low	17 Å²	17	65.5 Å²	65.5	14%	0.14	36%	0.36	C	S	.	.	H	α-helix	trans	-64.3	-30.1	-179.4	0	0	0	0	0	112.1	L169 D172 S173 T177 E178 F179	L169-A175 HydrophobicContact CD1-CB 3.51Å; D172-A175 WeakPolarHBondContact O-CB 3.35Å; D172-A175 PolarHBondContact O-N 3.36Å; D172-A175 VanDerWaalsContact O-N 3.13Å; S173-A175 VanDerWaalsContact C-N 3.34Å; A175-T177 PolarHBondContact O-N 2.59Å; A175-E178 PolarHBondContact O-N 3.47Å; A175-F179 WeakPolarHBondContact O-CB 3.31Å; A175-F179 PolarHBondContact O-N 3.17Å
176	L	56.9	Low	57.8	Low	84 Å²	84	64.8 Å²	64.8	44%	0.44	35%	0.353	S	S	.	.	H	α-helix	trans	-62.3	-39.7	-180	-179.9	61.9	0	0	0	112.8	L169 S173 M174 L180	L169-L176 HydrophobicContact CD2-CB 4.03Å; L169-L176 HydrophobicContact CD2-CD1 3.59Å; L169-L176 HydrophobicContact CD2-CG 4.4Å; S173-L176 PolarHBondContact O-N 2.92Å; M174-L176 PolarHBondContact O-N 2.8Å; L176-L180 HydrophobicContact CD1-CD1 3.95Å; L176-L180 HydrophobicContact CD1-CG 4.08Å; L176-L180 HydrophobicContact CG-CD1 4.05Å; L176-L180 WeakPolarHBondContact O-CB 3.28Å; L176-L180 VanDerWaalsContact O-CG 3.27Å; L176-L180 WeakPolarHBondContact O-CG 3.3Å; L176-L180 PolarHBondContact O-N 3.44Å
177	T	60.5	Low	58.2	Low	105 Å²	105	68.6 Å²	68.6	64%	0.644	37%	0.368	S	S	*	.	H	α-helix	trans	-71.1	-40.5	-178.5	-57.1	0	0	0	0	111	M174 A175 S181	M174-T177 PolarHBondContact O-N 2.94Å; A175-T177 PolarHBondContact O-N 2.59Å; T177-S181 WeakPolarHBondContact O-CB 3.38Å; T177-S181 PolarHBondContact O-N 3.24Å
178	E	62.1	Low	58.4	Low	76 Å²	76	71.9 Å²	71.9	36%	0.355	39%	0.386	S	S	.	.	H	α-helix	trans	-68.3	-43.6	176.6	-62.7	-172.5	150.3	0	0	111	Y149 A175 L180 S181 E182	Y149-E178 VanDerWaalsContact CE1-OE2 3.32Å; Y149-E178 WeakPolarHBondContact CE1-OE2 3.47Å; A175-E178 PolarHBondContact O-N 3.47Å; E178-L180 PolarHBondContact O-N 2.78Å; E178-S181 WeakPolarHBondContact O-CB 3.38Å; E178-S181 PolarHBondContact O-N 2.8Å; E178-S181 VanDerWaalsContact O-N 3.14Å; E178-E182 WeakPolarHBondContact O-CB 3.21Å; E178-E182 PolarHBondContact O-N 3.1Å
179	F	59.1	Low	59	Low	27 Å²	27	71 Å²	71	12%	0.118	38%	0.38	C	S	.	.	H	α-helix	trans	-60.8	-41.3	175.6	-176.3	-88.8	0	0	0	113.2	K167 L169 A175 E182 A183 I203	K167-F179 HydrophobicContact CB-CE2 4.48Å; L169-F179 HydrophobicContact CB-CD2 4.46Å; L169-F179 HydrophobicContact CD1-CB 3.9Å; L169-F179 HydrophobicContact CD1-CD2 4.31Å; L169-F179 HydrophobicContact CD1-CG 4.15Å; A175-F179 WeakPolarHBondContact O-CB 3.31Å; A175-F179 PolarHBondContact O-N 3.17Å; F179-E182 PolarHBondContact O-N 2.88Å; F179-A183 WeakPolarHBondContact O-CB 3.36Å; F179-A183 PolarHBondContact O-N 2.99Å; F179-I203 HydrophobicContact CD2-CD1 4.22Å; F179-I203 HydrophobicContact CE2-CD1 3.82Å; F179-I203 HydrophobicContact CE2-CG1 4.11Å; F179-I203 HydrophobicContact CZ-CD1 4.23Å; F179-I203 HydrophobicContact CZ-CG1 4.06Å
180	L	63.5	Low	59.7	Low	96 Å²	96	75.5 Å²	75.5	50%	0.503	39%	0.393	S	S	.	.	H	α-helix	trans	-70.1	-33.3	174.7	-71.5	174.2	0	0	0	112.3	L176 E178 T184	L176-L180 HydrophobicContact CD1-CD1 3.95Å; L176-L180 HydrophobicContact CD1-CG 4.08Å; L176-L180 HydrophobicContact CG-CD1 4.05Å; L176-L180 WeakPolarHBondContact O-CB 3.28Å; L176-L180 VanDerWaalsContact O-CG 3.27Å; L176-L180 WeakPolarHBondContact O-CG 3.3Å; L176-L180 PolarHBondContact O-N 3.44Å; E178-L180 PolarHBondContact O-N 2.78Å; L180-T184 WeakPolarHBondContact O-CB 3.28Å; L180-T184 PolarHBondContact O-N 3.05Å; L180-T184 PolarHBondContact O-OG1 2.89Å
181	S	63.7	Low	60.3	Low	53 Å²	53	74.2 Å²	74.2	37%	0.371	39%	0.388	S	S	.	.	H	α-helix	trans	-65.5	-46.8	172.3	-172.1	0	0	0	0	111.3	T177 E178 T184 I185	T177-S181 WeakPolarHBondContact O-CB 3.38Å; T177-S181 PolarHBondContact O-N 3.24Å; E178-S181 WeakPolarHBondContact O-CB 3.38Å; E178-S181 PolarHBondContact O-N 2.8Å; E178-S181 VanDerWaalsContact O-N 3.14Å; S181-T184 PolarHBondContact O-N 2.87Å; S181-I185 WeakPolarHBondContact O-CG1 3.13Å; S181-I185 PolarHBondContact O-N 3.02Å
182	E	62.8	Low	61	Low	7 Å²	7	71 Å²	71	3%	0.033	37%	0.366	C	S	.	.	H	α-helix	trans	-55.4	-53.1	174.5	-173.7	179.2	-178.3	0	0	110.7	K167 E178 F179 T184 I185 M186 I203 F255	K167-E182 IonicContact NZ-OE1 2.74Å; K167-E182 PolarHBondContact NZ-OE1 3Å; K167-E182 IonicContact NZ-OE2 3.54Å; K167-E182 PolarHBondContact NZ-OE2 3.42Å; E178-E182 WeakPolarHBondContact O-CB 3.21Å; E178-E182 PolarHBondContact O-N 3.1Å; F179-E182 PolarHBondContact O-N 2.88Å; E182-T184 VanDerWaalsContact C-N 3.28Å; E182-T184 PolarHBondContact O-N 2.96Å; E182-I185 PolarHBondContact O-N 3.25Å; E182-M186 HydrophobicContact CG-CG 4.42Å; E182-M186 HydrophobicContact CG-SD 3.91Å; E182-M186 VanDerWaalsContact O-CG 3.3Å; E182-M186 WeakPolarHBondContact O-CG 3.35Å; E182-M186 PolarHBondContact O-N 3.02Å; E182-I203 HydrophobicContact CG-CD1 4.14Å; E182-F255 HydrophobicContact CG-CB 3.95Å; E182-F255 PolarHBondContact OE1-N 2.79Å
183	A	63.1	Low	61.7	Low	13 Å²	13	66.1 Å²	66.1	11%	0.107	34%	0.34	C	S	.	.	H	α-helix	trans	-62.2	-32.5	178.2	0	0	0	0	0	113.2	F179 K187 L197	F179-A183 WeakPolarHBondContact O-CB 3.36Å; F179-A183 PolarHBondContact O-N 2.99Å; A183-K187 VanDerWaalsContact O-CB 3.3Å; A183-K187 WeakPolarHBondContact O-CB 3.48Å; A183-K187 PolarHBondContact O-N 3.15Å; A183-K187 VanDerWaalsContact O-N 3.14Å; A183-L197 WeakPolarHBondContact O-CD2 3.28Å
184	T	65.1	Low	62.7	Low	77 Å²	77	61.2 Å²	61.2	47%	0.472	31%	0.306	S	S	.	.	H	α-helix	trans	-68.7	-44	175.9	-60.5	0	0	0	0	111.2	L180 S181 E182	L180-T184 WeakPolarHBondContact O-CB 3.28Å; L180-T184 PolarHBondContact O-N 3.05Å; L180-T184 PolarHBondContact O-OG1 2.89Å; S181-T184 PolarHBondContact O-N 2.87Å; E182-T184 VanDerWaalsContact C-N 3.28Å; E182-T184 PolarHBondContact O-N 2.96Å
185	I	66.5	Low	63.7	Low	2 Å²	2	54.1 Å²	54.1	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-64.3	-51.2	176.4	-67.8	163	0	0	0	110.4	S181 E182 K187 D188 L189 V232 F255 A258 F260	S181-I185 WeakPolarHBondContact O-CG1 3.13Å; S181-I185 PolarHBondContact O-N 3.02Å; E182-I185 PolarHBondContact O-N 3.25Å; I185-K187 PolarHBondContact O-N 2.84Å; I185-D188 PolarHBondContact O-N 3.23Å; I185-L189 HydrophobicContact CG2-CD1 3.54Å; I185-L189 HydrophobicContact CG2-CG 4.21Å; I185-L189 WeakPolarHBondContact O-CG 3.41Å; I185-L189 PolarHBondContact O-N 3.46Å; I185-V232 HydrophobicContact CG2-CG1 4.3Å; I185-F255 HydrophobicContact CG2-CD1 4.46Å; I185-A258 HydrophobicContact CD1-CB 4.3Å; I185-A258 WeakPolarHBondContact CD1-O 3.46Å; I185-F260 HydrophobicContact CB-CE2 4.23Å; I185-F260 HydrophobicContact CB-CZ 4.39Å; I185-F260 HydrophobicContact CG1-CD2 3.8Å; I185-F260 HydrophobicContact CG1-CE2 3.5Å; I185-F260 HydrophobicContact CG1-CZ 4.09Å
186	M	64.1	Low	64.3	Low	4 Å²	4	55.4 Å²	55.4	2%	0.02	27%	0.274	C	S	.	.	H	α-helix	trans	-65.2	-20.9	-177.7	-64.4	179.2	69.3	0	0	114.3	E182 I195 L197 I203 F255	E182-M186 HydrophobicContact CG-CG 4.42Å; E182-M186 HydrophobicContact CG-SD 3.91Å; E182-M186 VanDerWaalsContact O-CG 3.3Å; E182-M186 WeakPolarHBondContact O-CG 3.35Å; E182-M186 PolarHBondContact O-N 3.02Å; M186-I195 HydrophobicContact CE-CB 4.49Å; M186-I195 HydrophobicContact CE-CG2 3.86Å; M186-L197 HydrophobicContact CB-CB 3.83Å; M186-L197 HydrophobicContact CB-CD2 4.3Å; M186-L197 HydrophobicContact CE-CB 4.35Å; M186-I203 HydrophobicContact CE-CG2 3.76Å; M186-I203 HydrophobicContact SD-CD1 4.31Å; M186-I203 HydrophobicContact SD-CG2 3.97Å; M186-F255 HydrophobicContact CE-CD2 4.01Å; M186-F255 HydrophobicContact CE-CE2 3.89Å; M186-F255 HydrophobicContact CG-CB 4.13Å; M186-F255 HydrophobicContact CG-CD2 3.38Å; M186-F255 HydrophobicContact CG-CE2 3.77Å; M186-F255 HydrophobicContact CG-CG 3.82Å; M186-F255 HydrophobicContact CG-CZ 4.48Å; M186-F255 HydrophobicContact SD-CD2 3.64Å; M186-F255 HydrophobicContact SD-CE2 4.13Å; M186-F255 HydrophobicContact SD-CG 4.47Å
187	K	65.3	Low	64.7	Low	95 Å²	95	52.5 Å²	52.5	41%	0.413	26%	0.259	S	S	.	.	H	α-helix	trans	-67.8	-39.3	177	173.5	-176.7	146.3	-76.3	0	112.3	A183 I185 L197	A183-K187 VanDerWaalsContact O-CB 3.3Å; A183-K187 WeakPolarHBondContact O-CB 3.48Å; A183-K187 PolarHBondContact O-N 3.15Å; A183-K187 VanDerWaalsContact O-N 3.14Å; I185-K187 PolarHBondContact O-N 2.84Å; K187-L197 HydrophobicContact CB-CD2 4.15Å
188	D	65.6	Low	64.7	Low	84 Å²	84	49.8 Å²	49.8	45%	0.449	24%	0.24	S	C	.	.	H	α-helix	trans	-99.1	-14.5	-172.8	-61.8	-29.8	0	0	0	112.2	I185	I185-D188 PolarHBondContact O-N 3.23Å
189	L	64.2	Low	64.2	Low	25 Å²	25	46.9 Å²	46.9	13%	0.131	23%	0.231	C	C	.	.			trans	-79	120.8	168.5	-68.5	-179.6	0	0	0	111.8	I185 L194 Q196 V232 F255	I185-L189 HydrophobicContact CG2-CD1 3.54Å; I185-L189 HydrophobicContact CG2-CG 4.21Å; I185-L189 WeakPolarHBondContact O-CG 3.41Å; I185-L189 PolarHBondContact O-N 3.46Å; L189-L194 HydrophobicContact CB-CD1 3.7Å; L189-L194 HydrophobicContact CD1-CD1 3.8Å; L189-L194 HydrophobicContact CD2-CD1 4.4Å; L189-L194 HydrophobicContact CG-CD1 4.18Å; L189-Q196 PolarHBondContact O-NE2 3.45Å; L189-V232 HydrophobicContact CD2-CG2 4.24Å; L189-F255 HydrophobicContact CD1-CD1 4.05Å; L189-F255 HydrophobicContact CD1-CE1 3.64Å; L189-F255 HydrophobicContact CD1-CZ 4.47Å
190	R	66.5	Low	63.7	Low	158 Å²	158	55.2 Å²	55.2	60%	0.596	26%	0.261	S	S	*	.			trans	-130.9	104.1	174.4	-64	-176.1	177.2	-160.1	-0.7	110.1	D15	D15-R190 VanDerWaalsContact CG-NH1 3.3Å; D15-R190 IonicContact OD1-CZ 2.78Å; D15-R190 IonicContact OD1-NH1 2.61Å; D15-R190 PolarHBondContact OD1-NH1 3.2Å; D15-R190 IonicContact OD2-CZ 2.63Å; D15-R190 IonicContact OD2-NH1 2.61Å; D15-R190 PolarHBondContact OD2-NH1 3.06Å; D15-R190 IonicContact OD2-NH2 2.67Å; D15-R190 PolarHBondContact OD2-NH2 2.8Å
191	H	65.1	Low	62.4	Low	47 Å²	47	54.5 Å²	54.5	22%	0.218	26%	0.258	C	S	.	.			trans	-150.2	148.4	175.6	-169.6	-113.7	0	0	0	111.3	N193 L194 S220 L224	H191-N193 PolarHBondContact ND1-N 3.48Å; H191-N193 PolarHBondContact O-N 3.46Å; H191-L194 HydrophobicContact CB-CB 4.21Å; H191-L194 HydrophobicContact CB-CD1 4.34Å; H191-L194 HydrophobicContact CB-CG 4.06Å; H191-L194 PolarHBondContact O-N 3.04Å; H191-S220 PolarHBondContact CE1-O 2.92Å; H191-L224 HydrophobicContact CB-CD1 3.39Å
192	R	65.9	Low	61.3	Low	136 Å²	136	55.9 Å²	55.9	51%	0.513	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-27	-176.3	77.2	-171	-77.8	178.8	-6.9	113.2	E63 K251	E63-R192 IonicContact OE1-CZ 2.83Å; E63-R192 IonicContact OE1-NH1 3.96Å; E63-R192 PolarHBondContact OE1-NH1 2.87Å; E63-R192 IonicContact OE1-NH2 3.44Å; E63-R192 PolarHBondContact OE1-NH2 3.46Å; E63-R192 IonicContact OE2-NH1 3.92Å; R192-K251 WeakPolarHBondContact O-CE 3.16Å
193	N	67.4	Low	60.4	Low	20 Å²	20	56.1 Å²	56.1	11%	0.107	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	20.3	176.4	-59.3	87.8	0	0	0	113.1	H191 S220 V250 K251 I252	H191-N193 PolarHBondContact ND1-N 3.48Å; H191-N193 PolarHBondContact O-N 3.46Å; N193-S220 WeakPolarHBondContact OD1-CB 3.37Å; N193-S220 PolarHBondContact OD1-OG 3.1Å; N193-V250 WeakPolarHBondContact CB-O 3.44Å; N193-V250 PolarHBondContact ND2-O 2.88Å; N193-K251 CarbonylContact O-C 3.51Å; N193-K251 VanDerWaalsContact O-CA 3.3Å; N193-K251 WeakPolarHBondContact O-CA 3.43Å; N193-I252 PolarHBondContact O-N 2.8Å
194	L	67.1	Low	59.5	Low	2 Å²	2	56.2 Å²	56.2	1%	0.01	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-113.8	144.7	164.5	-76.1	-168.4	0	0	0	110.7	L189 H191 Q196 L224 F234 K251 I252 F255	L189-L194 HydrophobicContact CB-CD1 3.7Å; L189-L194 HydrophobicContact CD1-CD1 3.8Å; L189-L194 HydrophobicContact CD2-CD1 4.4Å; L189-L194 HydrophobicContact CG-CD1 4.18Å; H191-L194 HydrophobicContact CB-CB 4.21Å; H191-L194 HydrophobicContact CB-CD1 4.34Å; H191-L194 HydrophobicContact CB-CG 4.06Å; H191-L194 PolarHBondContact O-N 3.04Å; L194-Q196 PolarHBondContact O-N 3.39Å; L194-Q196 VanDerWaalsContact O-N 3.09Å; L194-L224 HydrophobicContact CD1-CD1 3.56Å; L194-L224 HydrophobicContact CD1-CD2 3.83Å; L194-L224 HydrophobicContact CD1-CG 4.28Å; L194-L224 HydrophobicContact CD2-CD1 4.47Å; L194-L224 HydrophobicContact CD2-CD2 3.51Å; L194-L224 HydrophobicContact CG-CD1 3.75Å; L194-L224 HydrophobicContact CG-CD2 3.73Å; L194-L224 HydrophobicContact CG-CG 4.41Å; L194-F234 HydrophobicContact CD2-CE1 4.34Å; L194-F234 HydrophobicContact CD2-CZ 4.19Å; L194-K251 WeakPolarHBondContact O-CD 3.49Å; L194-I252 HydrophobicContact CD2-CB 3.72Å; L194-I252 HydrophobicContact CD2-CD1 3.68Å; L194-I252 HydrophobicContact CD2-CG1 3.98Å; L194-F255 HydrophobicContact CB-CZ 4.23Å; L194-F255 HydrophobicContact CD1-CE1 3.99Å; L194-F255 HydrophobicContact CD1-CZ 4Å; L194-F255 HydrophobicContact CD2-CE1 3.85Å; L194-F255 HydrophobicContact CD2-CZ 3.68Å; L194-F255 HydrophobicContact CG-CE1 4.46Å; L194-F255 HydrophobicContact CG-CZ 4.18Å
195	I	68.2	Low	58.7	Low	8 Å²	8	52.9 Å²	52.9	4%	0.041	24%	0.241	C	C	.	.			trans	-62.2	112.2	166.4	-68.3	-65.9	0	0	0	109	M186 A205 F208 L243 K251 I252 A253 F255	M186-I195 HydrophobicContact CE-CB 4.49Å; M186-I195 HydrophobicContact CE-CG2 3.86Å; I195-A205 HydrophobicContact CG2-CB 3.31Å; I195-F208 HydrophobicContact CD1-CD2 3.24Å; I195-F208 HydrophobicContact CD1-CE2 3.28Å; I195-F208 HydrophobicContact CD1-CG 4.2Å; I195-F208 HydrophobicContact CD1-CZ 4.28Å; I195-L243 HydrophobicContact CD1-CB 4.39Å; I195-L243 HydrophobicContact CD1-CD1 3.81Å; I195-L243 HydrophobicContact CG1-CD1 4.1Å; I195-K251 HydrophobicContact CD1-CB 3.83Å; I195-K251 HydrophobicContact CD1-CD 4.15Å; I195-K251 HydrophobicContact CG1-CB 4.03Å; I195-I252 WeakPolarHBondContact CB-O 3.32Å; I195-I252 VanDerWaalsContact CG1-O 3.26Å; I195-I252 WeakPolarHBondContact CG1-O 3.48Å; I195-I252 PolarHBondContact N-O 2.86Å; I195-A253 HydrophobicContact CG1-CB 3.85Å; I195-F255 HydrophobicContact CB-CE2 4.39Å
196	Q	68.1	Low	57.7	Low	45 Å²	45	53.6 Å²	53.6	21%	0.21	25%	0.245	C	C	.	.			trans	-77.6	126.6	179.4	-175.7	61.9	72.3	0	0	110	L189 L194 L198	L189-Q196 PolarHBondContact O-NE2 3.45Å; L194-Q196 PolarHBondContact O-N 3.39Å; L194-Q196 VanDerWaalsContact O-N 3.09Å; Q196-L198 HydrophobicContact CB-CD2 4.36Å; Q196-L198 HydrophobicContact CG-CD2 4.06Å; Q196-L198 PolarHBondContact O-N 3.26Å
197	L	63.9	Low	56.5	Low	22 Å²	22	56 Å²	56	12%	0.115	26%	0.261	C	S	.	.			trans	-69.3	119.6	165.9	-173.7	69.1	0	0	0	110.1	A183 M186 K187 G199 I203	A183-L197 WeakPolarHBondContact O-CD2 3.28Å; M186-L197 HydrophobicContact CB-CB 3.83Å; M186-L197 HydrophobicContact CB-CD2 4.3Å; M186-L197 HydrophobicContact CE-CB 4.35Å; K187-L197 HydrophobicContact CB-CD2 4.15Å; L197-G199 VanDerWaalsContact CD1-O 3.23Å; L197-G199 WeakPolarHBondContact CD1-O 3.4Å; L197-G199 VanDerWaalsContact CG-O 3.24Å; L197-G199 WeakPolarHBondContact CG-O 3.23Å; L197-I203 HydrophobicContact CD1-CB 4.13Å; L197-I203 HydrophobicContact CD1-CG1 4.12Å; L197-I203 HydrophobicContact CD1-CG2 3.97Å
198	L	62.3	Low	55.6	Low	48 Å²	48	52.8 Å²	52.8	25%	0.251	25%	0.247	S	C	.	.			trans	-99	-11.6	-179	-48.1	168	0	0	0	113.1	W157 V164 Q196 L204	W157-L198 HydrophobicContact CE3-CB 4.42Å; W157-L198 VanDerWaalsContact CH2-O 3.29Å; W157-L198 WeakPolarHBondContact CH2-O 3.28Å; W157-L198 HydrophobicContact CZ3-CB 3.76Å; W157-L198 WeakPolarHBondContact CZ3-O 3.27Å; V164-L198 HydrophobicContact CG1-CD1 3.84Å; Q196-L198 HydrophobicContact CB-CD2 4.36Å; Q196-L198 HydrophobicContact CG-CD2 4.06Å; Q196-L198 PolarHBondContact O-N 3.26Å; L198-L204 HydrophobicContact CB-CB 3.89Å; L198-L204 VanDerWaalsContact CB-O 3.32Å; L198-L204 WeakPolarHBondContact CB-O 3.45Å; L198-L204 WeakPolarHBondContact CG-O 3.37Å; L198-L204 PolarHBondContact N-O 3.13Å
199	G	51.8	Low	54	Low	15 Å²	15	52.8 Å²	52.8	16%	0.155	25%	0.254	C	S	.	.			trans	-153.2	157.2	-177.3	0	0	0	0	0	113.4	L197	L197-G199 VanDerWaalsContact CD1-O 3.23Å; L197-G199 WeakPolarHBondContact CD1-O 3.4Å; L197-G199 VanDerWaalsContact CG-O 3.24Å; L197-G199 WeakPolarHBondContact CG-O 3.23Å
200	R	46.6	Very low	52.4	Low	202 Å²	202	57.1 Å²	57.1	76%	0.762	27%	0.272	S	S	*	.	S	Bend	trans	-88.2	-23.8	-171	-68.4	-173.4	-179.2	-175.2	0.6	116.1
201	N	37.7	Very low	50.7	Low	81 Å²	81	51.9 Å²	51.9	43%	0.433	26%	0.262	S	S	.	.	S	Bend	trans	-112.5	-6.3	-169.5	-59.6	-26.6	0	0	0	114	E575	N201-E575 WeakPolarHBondContact ND2-CG 3.34Å; N201-E575 PolarHBondContact ND2-OE1 2.85Å
202	L	40.2	Very low	48.9	Very low	83 Å²	83	58.3 Å²	58.3	44%	0.435	29%	0.292	S	S	.	.	S	Bend	trans	-142.7	135.7	175.5	-69.3	159.3	0	0	0	103.8	V166 L204	V166-L202 HydrophobicContact CG1-CB 4.35Å; V166-L202 HydrophobicContact CG1-CD2 3.76Å; L202-L204 HydrophobicContact CB-CD2 3.8Å; L202-L204 HydrophobicContact CB-CG 4.03Å; L202-L204 HydrophobicContact CD1-CD2 4.44Å; L202-L204 PolarHBondContact O-N 2.86Å
203	I	44.3	Very low	47.1	Very low	11 Å²	11	57 Å²	57	6%	0.056	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	86.7	172.9	-62.8	175.8	0	0	0	107	V166 K167 F179 E182 M186 L197 A205	V166-I203 WeakPolarHBondContact CA-O 3.49Å; K167-I203 HydrophobicContact CB-CB 3.88Å; K167-I203 HydrophobicContact CB-CD1 4.21Å; K167-I203 HydrophobicContact CB-CG1 4.43Å; K167-I203 HydrophobicContact CD-CD1 3.86Å; K167-I203 PolarHBondContact N-O 3.37Å; F179-I203 HydrophobicContact CD2-CD1 4.22Å; F179-I203 HydrophobicContact CE2-CD1 3.82Å; F179-I203 HydrophobicContact CE2-CG1 4.11Å; F179-I203 HydrophobicContact CZ-CD1 4.23Å; F179-I203 HydrophobicContact CZ-CG1 4.06Å; E182-I203 HydrophobicContact CG-CD1 4.14Å; M186-I203 HydrophobicContact CE-CG2 3.76Å; M186-I203 HydrophobicContact SD-CD1 4.31Å; M186-I203 HydrophobicContact SD-CG2 3.97Å; L197-I203 HydrophobicContact CD1-CB 4.13Å; L197-I203 HydrophobicContact CD1-CG1 4.12Å; L197-I203 HydrophobicContact CD1-CG2 3.97Å; I203-A205 PolarHBondContact O-N 2.85Å
204	L	43.7	Very low	45.2	Very low	15 Å²	15	57.4 Å²	57.4	8%	0.079	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	105.3	175.5	-60.3	-176.1	0	0	0	107.5	W157 V164 A165 V166 L198 L202	W157-L204 HydrophobicContact CD2-CD1 3.79Å; W157-L204 HydrophobicContact CE3-CD1 3.62Å; W157-L204 HydrophobicContact CH2-CD1 3.64Å; W157-L204 HydrophobicContact CZ2-CD1 3.8Å; W157-L204 HydrophobicContact CZ3-CD1 3.56Å; V164-L204 HydrophobicContact CG2-CD2 4.09Å; A165-L204 VanDerWaalsContact O-CA 3.29Å; A165-L204 WeakPolarHBondContact O-CA 3.48Å; V166-L204 HydrophobicContact CG2-CD2 3.74Å; L198-L204 HydrophobicContact CB-CB 3.89Å; L198-L204 VanDerWaalsContact CB-O 3.32Å; L198-L204 WeakPolarHBondContact CB-O 3.45Å; L198-L204 WeakPolarHBondContact CG-O 3.37Å; L198-L204 PolarHBondContact N-O 3.13Å; L202-L204 HydrophobicContact CB-CD2 3.8Å; L202-L204 HydrophobicContact CB-CG 4.03Å; L202-L204 HydrophobicContact CD1-CD2 4.44Å; L202-L204 PolarHBondContact O-N 2.86Å
205	A	48.1	Very low	43.4	Very low	8 Å²	8	58.1 Å²	58.1	7%	0.066	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	164.6	174.1	0	0	0	0	0	110.3	V164 A165 I195 I203	V164-A205 CarbonylContact C-O 3.59Å; V164-A205 WeakPolarHBondContact CA-O 3.25Å; V164-A205 WeakPolarHBondContact CB-O 3.32Å; A165-A205 HydrophobicContact CB-CB 4.22Å; A165-A205 PolarHBondContact N-O 3.23Å; A165-A205 PolarHBondContact O-N 2.94Å; I195-A205 HydrophobicContact CG2-CB 3.31Å; I203-A205 PolarHBondContact O-N 2.85Å
206	D	45.5	Very low	41.8	Very low	16 Å²	16	59 Å²	59	9%	0.086	31%	0.307	C	S	.	.			trans	-63.9	151.8	164.4	-27.6	-51.8	0	0	0	109	R162 F208 K251	R162-D206 IonicContact CZ-OD1 3.87Å; R162-D206 IonicContact NH1-OD1 2.71Å; R162-D206 PolarHBondContact NH1-OD1 2.8Å; R162-D206 IonicContact NH2-OD1 3.35Å; R162-D206 PolarHBondContact NH2-OD1 3.45Å; R162-D206 IonicContact NH2-OD2 2.7Å; D206-F208 HydrophobicContact CB-CD2 4.34Å; D206-F208 HydrophobicContact CB-CE2 3.52Å; D206-F208 HydrophobicContact CB-CZ 3.98Å; D206-F208 WeakPolarHBondContact O-CD2 3.27Å; D206-F208 WeakPolarHBondContact O-CE2 3.39Å; D206-F208 PolarHBondContact O-N 2.77Å; D206-K251 IonicContact OD2-NZ 3.42Å; D206-K251 PolarHBondContact OD2-NZ 3.11Å
207	P	39.7	Very low	40.4	Very low	55 Å²	55	58.4 Å²	58.4	36%	0.357	30%	0.304	S	S	.	.			trans	-73.2	122.2	178.6	32.7	-33.5	0	0	0	108.1	S163	S163-P207 VanDerWaalsContact O-CD 3.31Å; S163-P207 WeakPolarHBondContact O-CD 3.5Å
208	F	45.6	Very low	39.3	Very low	28 Å²	28	61.5 Å²	61.5	12%	0.123	32%	0.317	C	S	.	.			trans	-122.4	140.9	170.6	-67.9	-86.2	0	0	0	108.3	I195 D206 F210 L243 G245 K251	I195-F208 HydrophobicContact CD1-CD2 3.24Å; I195-F208 HydrophobicContact CD1-CE2 3.28Å; I195-F208 HydrophobicContact CD1-CG 4.2Å; I195-F208 HydrophobicContact CD1-CZ 4.28Å; D206-F208 HydrophobicContact CB-CD2 4.34Å; D206-F208 HydrophobicContact CB-CE2 3.52Å; D206-F208 HydrophobicContact CB-CZ 3.98Å; D206-F208 WeakPolarHBondContact O-CD2 3.27Å; D206-F208 WeakPolarHBondContact O-CE2 3.39Å; D206-F208 PolarHBondContact O-N 2.77Å; F208-F210 PolarHBondContact O-N 3.4Å; F208-L243 HydrophobicContact CB-CB 3.64Å; F208-L243 HydrophobicContact CB-CD1 4.11Å; F208-L243 HydrophobicContact CB-CD2 4.48Å; F208-L243 HydrophobicContact CB-CG 4.29Å; F208-L243 HydrophobicContact CD1-CB 4.44Å; F208-L243 HydrophobicContact CD2-CB 4.43Å; F208-L243 HydrophobicContact CD2-CD1 4.47Å; F208-L243 HydrophobicContact CG-CB 3.92Å; F208-G245 VanDerWaalsContact CD1-CA 3.42Å; F208-K251 HydrophobicContact CE1-CD 3.99Å; F208-K251 HydrophobicContact CE1-CG 4.03Å; F208-K251 HydrophobicContact CE2-CD 3.78Å; F208-K251 HydrophobicContact CE2-CG 4.46Å; F208-K251 HydrophobicContact CZ-CD 3.33Å; F208-K251 HydrophobicContact CZ-CG 3.88Å
209	S	32.1	Very low	38.3	Very low	84 Å²	84	60.6 Å²	60.6	59%	0.587	31%	0.313	S	S	*	.	B	Isolated β-bridge	trans	-64.5	134.1	168.1	-51.8	0	0	0	0	108.5	A211	S209-A211 PolarHBondContact O-N 2.79Å
210	F	30.2	Very low	37.8	Very low	116 Å²	116	61 Å²	61	51%	0.509	31%	0.314	S	S	.	.			trans	-65	80.5	152.3	-86.3	-83.9	0	0	0	106.9	F208 H212 L243	F208-F210 PolarHBondContact O-N 3.4Å; F210-H212 PolarHBondContact O-N 2.73Å; F210-L243 HydrophobicContact CD1-CD2 4.16Å; F210-L243 HydrophobicContact CE1-CD2 4.18Å; F210-L243 HydrophobicContact CG-CD2 4.36Å; F210-L243 HydrophobicContact CZ-CD2 4.39Å
211	A	30.6	Very low	37.8	Very low	47 Å²	47	51.8 Å²	51.8	39%	0.388	28%	0.279	S	S	.	.			trans	-78.8	115.9	-173.2	0	0	0	0	0	109.4	S209 V244	S209-A211 PolarHBondContact O-N 2.79Å; A211-V244 HydrophobicContact CB-CB 4Å; A211-V244 HydrophobicContact CB-CG2 4.19Å
212	H	29.1	Very low	38	Very low	183 Å²	183	48.1 Å²	48.1	85%	0.847	26%	0.26	S	S	*	.			trans	-49.6	153.2	165.6	-82.1	112.9	0	0	0	111.8	F210	F210-H212 PolarHBondContact O-N 2.73Å
213	F	27.4	Very low	38	Very low	107 Å²	107	47.9 Å²	47.9	47%	0.469	27%	0.266	S	S	.	.	S	Bend	trans	-47	131.3	-166.1	-77.6	-70.1	0	0	0	117	A239 Y308	F213-A239 HydrophobicContact CE1-CB 3.96Å; F213-Y308 VanDerWaalsContact CB-O 3.27Å; F213-Y308 WeakPolarHBondContact CB-O 3.33Å; F213-Y308 VanDerWaalsContact CG-O 3.22Å; F213-Y308 WeakPolarHBondContact CG-O 3.31Å
214	G	26.9	Very low	38.1	Very low	29 Å²	29	48.9 Å²	48.9	30%	0.299	27%	0.271	S	S	.	.			trans	156.2	37.8	179.1	0	0	0	0	0	111.7	F216	G214-F216 WeakPolarHBondContact O-CD2 3.47Å; G214-F216 WeakPolarHBondContact O-CE2 3.44Å; G214-F216 PolarHBondContact O-N 2.92Å
215	V	30	Very low	38.4	Very low	17 Å²	17	49.3 Å²	49.3	10%	0.103	27%	0.273	C	S	.	.			trans	-92.2	103.7	-159.8	-174	0	0	0	0	112.6	F217 V244 V250 I305	V215-F217 HydrophobicContact CG1-CD2 3.94Å; V215-F217 HydrophobicContact CG1-CE2 4.1Å; V215-F217 PolarHBondContact O-N 3.23Å; V215-V244 HydrophobicContact CB-CG2 4.26Å; V215-V244 HydrophobicContact CG1-CG2 3.58Å; V215-V244 HydrophobicContact CG2-CG2 3.79Å; V215-V250 HydrophobicContact CG1-CG1 4.21Å; V215-V250 HydrophobicContact CG1-CG2 3.51Å; V215-I305 WeakPolarHBondContact O-CG2 3.46Å
216	F	35.3	Very low	38.2	Very low	28 Å²	28	51.7 Å²	51.7	12%	0.123	29%	0.289	C	S	.	.			trans	-66.1	95.3	174.9	-71	-86.5	0	0	0	112.9	G214 K218 H248 V250 L383 F386 N387	G214-F216 WeakPolarHBondContact O-CD2 3.47Å; G214-F216 WeakPolarHBondContact O-CE2 3.44Å; G214-F216 PolarHBondContact O-N 2.92Å; F216-K218 PolarHBondContact O-N 2.98Å; F216-H248 HydrophobicContact CB-CB 4.24Å; F216-V250 WeakPolarHBondContact O-CG2 3.43Å; F216-L383 HydrophobicContact CD1-CD2 3.4Å; F216-L383 HydrophobicContact CE1-CB 4.02Å; F216-L383 HydrophobicContact CE1-CD2 3.56Å; F216-L383 HydrophobicContact CE1-CG 4.41Å; F216-L383 VanDerWaalsContact CE1-O 3.28Å; F216-L383 WeakPolarHBondContact CE1-O 3.46Å; F216-F386 HydrophobicContact CD1-CB 3.92Å; F216-F386 HydrophobicContact CD1-CD2 4.21Å; F216-F386 HydrophobicContact CE1-CB 3.42Å; F216-F386 VanDerWaalsContact CE1-CB 3.42Å; F216-F386 HydrophobicContact CE1-CD2 4.4Å; F216-F386 HydrophobicContact CE1-CG 4.43Å; F216-F386 HydrophobicContact CE2-CB 4.27Å; F216-F386 VanDerWaalsContact CZ-C 3.48Å; F216-F386 HydrophobicContact CZ-CB 3.56Å; F216-F386 WeakPolarHBondContact CZ-O 3.41Å; F216-N387 WeakPolarHBondContact CE1-ND2 3.17Å; F216-N387 HydrophobicContact CZ-CB 4.21Å; F216-N387 WeakPolarHBondContact CZ-ND2 3.36Å; F216-N387 WeakPolarHBondContact CZ-OD1 3.3Å
217	F	37.1	Very low	38	Very low	31 Å²	31	53 Å²	53	14%	0.136	31%	0.306	C	S	.	.			trans	-80.4	99	173	-107.2	-96.1	0	0	0	111.6	V215 L221 C242 V250 F298 L301 I305	V215-F217 HydrophobicContact CG1-CD2 3.94Å; V215-F217 HydrophobicContact CG1-CE2 4.1Å; V215-F217 PolarHBondContact O-N 3.23Å; F217-L221 HydrophobicContact CE1-CD1 3.97Å; F217-C242 HydrophobicContact CE2-CB 4.17Å; F217-C242 HydrophobicContact CZ-CB 4.26Å; F217-V250 HydrophobicContact CD2-CG1 4.37Å; F217-V250 HydrophobicContact CD2-CG2 4.37Å; F217-V250 HydrophobicContact CE2-CG1 3.7Å; F217-V250 HydrophobicContact CE2-CG2 4.49Å; F217-V250 HydrophobicContact CZ-CG1 3.77Å; F217-F298 HydrophobicContact CD1-CE2 4.41Å; F217-F298 HydrophobicContact CE1-CE2 4.34Å; F217-L301 HydrophobicContact CE1-CD2 4.14Å; F217-L301 HydrophobicContact CE2-CD1 4.17Å; F217-L301 HydrophobicContact CE2-CD2 4.3Å; F217-L301 HydrophobicContact CZ-CD1 4.43Å; F217-L301 HydrophobicContact CZ-CD2 3.76Å; F217-L301 HydrophobicContact CZ-CG 4.46Å; F217-I305 HydrophobicContact CB-CD1 3.92Å; F217-I305 HydrophobicContact CD1-CD1 4.49Å; F217-I305 HydrophobicContact CD2-CD1 3.26Å; F217-I305 HydrophobicContact CD2-CG1 4.04Å; F217-I305 HydrophobicContact CE2-CD1 3.84Å; F217-I305 HydrophobicContact CG-CD1 3.64Å
218	K	41.2	Very low	38.2	Very low	88 Å²	88	59 Å²	59	38%	0.383	33%	0.33	S	S	.	.			trans	-92.8	104	152.2	-87.2	-164.3	174.9	-165.4	0	109.8	G62 F216 S220	G62-K218 PolarHBondContact O-NZ 2.8Å; F216-K218 PolarHBondContact O-N 2.98Å; K218-S220 PolarHBondContact O-N 2.96Å
219	V	40.7	Very low	38.3	Very low	28 Å²	28	68.5 Å²	68.5	17%	0.17	37%	0.365	C	S	.	.	S	Bend	trans	22.4	91.1	141.2	-158.6	0	0	0	0	115.9	A222 S363 L366 E367	V219-A222 HydrophobicContact CG1-CB 4.23Å; V219-S363 VanDerWaalsContact CG1-CA 3.46Å; V219-S363 WeakPolarHBondContact CG1-OG 3.4Å; V219-L366 HydrophobicContact CB-CB 4.48Å; V219-L366 HydrophobicContact CG1-CB 4.39Å; V219-L366 HydrophobicContact CG2-CB 3.29Å; V219-L366 HydrophobicContact CG2-CD1 3.95Å; V219-L366 HydrophobicContact CG2-CG 4.23Å; V219-E367 HydrophobicContact CG1-CG 4.27Å
220	S	41.7	Very low	39.1	Very low	25 Å²	25	69.3 Å²	69.3	18%	0.175	36%	0.362	C	S	.	.			trans	-163.4	-1.6	168.9	-94.3	0	0	0	0	115.7	H191 N193 K218	H191-S220 PolarHBondContact CE1-O 2.92Å; N193-S220 WeakPolarHBondContact OD1-CB 3.37Å; N193-S220 PolarHBondContact OD1-OG 3.1Å; K218-S220 PolarHBondContact O-N 2.96Å
221	L	46.7	Very low	40.5	Very low	7 Å²	7	69.8 Å²	69.8	4%	0.037	36%	0.364	C	S	.	.	S	Bend	trans	-60.4	-35.8	156.8	-113.2	112.3	0	0	0	111.2	F217 L224 I225 L237 I252 F298 F359	F217-L221 HydrophobicContact CE1-CD1 3.97Å; L221-L224 VanDerWaalsContact O-CB 3.32Å; L221-L224 WeakPolarHBondContact O-CB 3.11Å; L221-L224 PolarHBondContact O-N 3.43Å; L221-I225 HydrophobicContact CD2-CD1 4.25Å; L221-I225 PolarHBondContact O-N 2.95Å; L221-L237 HydrophobicContact CD1-CD1 3.89Å; L221-L237 HydrophobicContact CD2-CD1 3.91Å; L221-L237 HydrophobicContact CD2-CD2 3.41Å; L221-L237 VanDerWaalsContact CD2-CD2 3.41Å; L221-L237 HydrophobicContact CD2-CG 4.32Å; L221-I252 HydrophobicContact CD1-CD1 3.49Å; L221-I252 VanDerWaalsContact CD1-CD1 3.49Å; L221-I252 HydrophobicContact CD1-CG1 3.85Å; L221-I252 HydrophobicContact CD2-CD1 4.12Å; L221-I252 HydrophobicContact CG-CD1 3.5Å; L221-I252 HydrophobicContact CG-CG1 4.4Å; L221-F298 HydrophobicContact CB-CD2 4.48Å; L221-F298 HydrophobicContact CB-CE2 4.3Å; L221-F298 HydrophobicContact CD1-CD2 4.27Å; L221-F298 HydrophobicContact CD1-CE2 4.26Å; L221-F298 HydrophobicContact CD2-CD2 4.26Å; L221-F359 HydrophobicContact CB-CD1 4.12Å; L221-F359 HydrophobicContact CB-CE1 4.03Å; L221-F359 HydrophobicContact CD2-CD1 4.21Å; L221-F359 HydrophobicContact CD2-CE1 3.45Å; L221-F359 VanDerWaalsContact CD2-CE1 3.45Å; L221-F359 HydrophobicContact CD2-CZ 3.72Å; L221-F359 HydrophobicContact CG-CE1 4.36Å
222	A	41.8	Very low	42	Very low	4 Å²	4	68.1 Å²	68.1	3%	0.033	35%	0.349	C	S	.	.	H	α-helix	trans	-52.1	-60.2	179.9	0	0	0	0	0	114	V219 L224 I225 F359 S363	V219-A222 HydrophobicContact CG1-CB 4.23Å; A222-L224 PolarHBondContact O-N 2.62Å; A222-I225 PolarHBondContact O-N 3.08Å; A222-F359 WeakPolarHBondContact CA-O 3.34Å; A222-F359 WeakPolarHBondContact CB-O 3.42Å; A222-S363 WeakPolarHBondContact CB-OG 3.3Å
223	S	41.1	Very low	43.8	Very low	79 Å²	79	59.4 Å²	59.4	55%	0.552	31%	0.309	S	S	*	.	H	α-helix	trans	-67.4	-15.6	-178.4	-159.9	0	0	0	0	113.4
224	L	45.5	Very low	45.9	Very low	32 Å²	32	54.8 Å²	54.8	17%	0.168	29%	0.289	C	S	.	.	H	α-helix	trans	-78.6	-38.9	-178.1	-170.8	74.9	0	0	0	112.6	H191 L194 L221 A222 F234 I252	H191-L224 HydrophobicContact CB-CD1 3.39Å; L194-L224 HydrophobicContact CD1-CD1 3.56Å; L194-L224 HydrophobicContact CD1-CD2 3.83Å; L194-L224 HydrophobicContact CD1-CG 4.28Å; L194-L224 HydrophobicContact CD2-CD1 4.47Å; L194-L224 HydrophobicContact CD2-CD2 3.51Å; L194-L224 HydrophobicContact CG-CD1 3.75Å; L194-L224 HydrophobicContact CG-CD2 3.73Å; L194-L224 HydrophobicContact CG-CG 4.41Å; L221-L224 VanDerWaalsContact O-CB 3.32Å; L221-L224 WeakPolarHBondContact O-CB 3.11Å; L221-L224 PolarHBondContact O-N 3.43Å; A222-L224 PolarHBondContact O-N 2.62Å; L224-F234 HydrophobicContact CD2-CE2 4.1Å; L224-F234 HydrophobicContact CD2-CZ 3.65Å; L224-I252 HydrophobicContact CD2-CD1 4.06Å
225	I	49.7	Very low	48.1	Very low	23 Å²	23	54.4 Å²	54.4	12%	0.118	28%	0.278	C	S	.	.	H	α-helix	trans	-90.2	-13.4	-172.2	-68.2	167.3	0	0	0	111.9	L221 A222 F234 T291 F359	L221-I225 HydrophobicContact CD2-CD1 4.25Å; L221-I225 PolarHBondContact O-N 2.95Å; A222-I225 PolarHBondContact O-N 3.08Å; I225-F234 HydrophobicContact CD1-CE2 4.19Å; I225-T291 HydrophobicContact CG2-CG2 3.66Å; I225-F359 HydrophobicContact CB-CB 3.98Å; I225-F359 HydrophobicContact CB-CD2 4.04Å; I225-F359 HydrophobicContact CB-CG 4.18Å; I225-F359 HydrophobicContact CD1-CB 4.48Å; I225-F359 HydrophobicContact CD1-CD1 4.24Å; I225-F359 HydrophobicContact CD1-CD2 3.28Å; I225-F359 HydrophobicContact CD1-CE1 4.32Å; I225-F359 HydrophobicContact CD1-CE2 3.35Å; I225-F359 HydrophobicContact CD1-CG 3.74Å; I225-F359 HydrophobicContact CD1-CZ 3.89Å; I225-F359 HydrophobicContact CG1-CD2 4.23Å; I225-F359 HydrophobicContact CG2-CB 4.27Å; I225-F359 HydrophobicContact CG2-CD2 3.89Å; I225-F359 HydrophobicContact CG2-CG 4.42Å
226	S	43.5	Very low	50.5	Low	58 Å²	58	54.6 Å²	54.6	41%	0.406	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	12.4	171.5	-68	0	0	0	0	114.9	E228 R360	S226-E228 PolarHBondContact O-N 3.31Å; S226-R360 WeakPolarHBondContact OG-CB 3.47Å
227	G	42.7	Very low	52.8	Low	43 Å²	43	53.3 Å²	53.3	44%	0.443	27%	0.273	S	S	.	.			trans	-75.3	107.2	172.8	0	0	0	0	0	112.3	R229	G227-R229 PolarHBondContact O-N 2.91Å
228	E	42.8	Very low	55	Low	183 Å²	183	51.9 Å²	51.9	86%	0.855	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	9.9	-166.9	-67.1	-174.6	144.4	0	0	119.5	S226	S226-E228 PolarHBondContact O-N 3.31Å
229	R	47.4	Very low	56.7	Low	227 Å²	227	48.3 Å²	48.3	86%	0.857	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.4	-12.3	-171.9	-65.6	-169.5	-179.5	-177	0.3	117.6	G227	G227-R229 PolarHBondContact O-N 2.91Å
230	N	50.8	Low	58.4	Low	100 Å²	100	52 Å²	52	54%	0.535	27%	0.265	S	S	.	.			trans	-152.8	100.9	173	-78.1	-58.6	0	0	0	110.5	V232 F260	N230-V232 PolarHBondContact O-N 3.4Å; N230-F260 HydrophobicContact CB-CD1 4.18Å; N230-F260 HydrophobicContact CB-CE1 3.99Å
231	F	58	Low	60.1	Low	126 Å²	126	51.5 Å²	51.5	55%	0.553	26%	0.26	S	S	*	.			trans	-67.2	116.9	172	-70.2	-73.3	0	0	0	110	F260 M261	F231-F260 WeakPolarHBondContact O-CA 3.24Å; F231-M261 HydrophobicContact CB-CB 3.8Å; F231-M261 HydrophobicContact CB-CE 3.96Å; F231-M261 PolarHBondContact O-N 3.32Å
232	V	62.3	Low	61.3	Low	12 Å²	12	51.8 Å²	51.8	7%	0.073	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.4	174	178.2	0	0	0	0	108.6	I185 L189 N230 A258 R259 F260	I185-V232 HydrophobicContact CG2-CG1 4.3Å; L189-V232 HydrophobicContact CD2-CG2 4.24Å; N230-V232 PolarHBondContact O-N 3.4Å; V232-A258 HydrophobicContact CG1-CB 4.28Å; V232-R259 WeakPolarHBondContact CA-O 3.17Å; V232-F260 HydrophobicContact CG2-CD1 3.57Å; V232-F260 HydrophobicContact CG2-CE1 3.73Å; V232-F260 HydrophobicContact CG2-CG 4.47Å
233	F	67.7	Low	62.4	Low	1 Å²	1	52.7 Å²	52.7	0%	0.004	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	145.2	168.3	64.5	-64.5	0	0	0	109.3	R235 A258 R259 M261 Y266 F289 D294	F233-R235 HydrophobicContact CD2-CG 3.37Å; F233-R235 VanDerWaalsContact CE2-CD 3.48Å; F233-R235 HydrophobicContact CE2-CG 3.37Å; F233-A258 WeakPolarHBondContact O-CA 3.38Å; F233-A258 WeakPolarHBondContact O-CB 3.29Å; F233-R259 HydrophobicContact CD1-CB 4.38Å; F233-R259 WeakPolarHBondContact CD1-O 3.28Å; F233-R259 HydrophobicContact CE1-CB 3.55Å; F233-R259 WeakPolarHBondContact CE1-O 3.39Å; F233-R259 HydrophobicContact CZ-CB 3.74Å; F233-R259 HydrophobicContact CZ-CG 4.38Å; F233-R259 PolarHBondContact N-O 3.5Å; F233-R259 PolarHBondContact O-N 3.03Å; F233-R259 VanDerWaalsContact O-N 3.08Å; F233-M261 HydrophobicContact CB-CE 3.76Å; F233-M261 HydrophobicContact CD1-CE 3.72Å; F233-M261 HydrophobicContact CD1-CG 3.52Å; F233-M261 HydrophobicContact CD1-SD 3.89Å; F233-M261 HydrophobicContact CE1-CG 3.64Å; F233-M261 HydrophobicContact CE1-SD 4.46Å; F233-M261 HydrophobicContact CG-CE 4.08Å; F233-M261 HydrophobicContact CG-SD 4.36Å; F233-Y266 HydrophobicContact CE1-CG 4.48Å; F233-Y266 AromaticContact CE2-CD1 3.75Å; F233-Y266 HydrophobicContact CE2-CD1 3.75Å; F233-Y266 HydrophobicContact CE2-CG 4.12Å; F233-Y266 AromaticContact CZ-CD1 3.52Å; F233-Y266 HydrophobicContact CZ-CD1 3.52Å; F233-Y266 HydrophobicContact CZ-CD2 4.47Å; F233-Y266 HydrophobicContact CZ-CE1 4.49Å; F233-Y266 AromaticContact CZ-CG 3.51Å; F233-Y266 HydrophobicContact CZ-CG 3.51Å; F233-F289 HydrophobicContact CD2-CB 3.81Å; F233-F289 HydrophobicContact CE2-CB 3.56Å; F233-F289 HydrophobicContact CE2-CG 4.47Å; F233-D294 WeakPolarHBondContact CA-OD2 3.08Å; F233-D294 VanDerWaalsContact CB-OD2 3.32Å; F233-D294 WeakPolarHBondContact CB-OD2 3.18Å
234	F	70.7	Confident	63.5	Low	10 Å²	10	49.7 Å²	49.7	4%	0.044	25%	0.245	C	C	.	.			trans	-91.1	-38	-170.3	-70.4	-94.1	0	0	0	112.5	L194 L224 I225 D236 I252 F255 L257 D294	L194-F234 HydrophobicContact CD2-CE1 4.34Å; L194-F234 HydrophobicContact CD2-CZ 4.19Å; L224-F234 HydrophobicContact CD2-CE2 4.1Å; L224-F234 HydrophobicContact CD2-CZ 3.65Å; I225-F234 HydrophobicContact CD1-CE2 4.19Å; F234-D236 PolarHBondContact O-N 3.38Å; F234-I252 HydrophobicContact CD1-CG2 3.99Å; F234-I252 HydrophobicContact CE1-CB 4.34Å; F234-I252 HydrophobicContact CE1-CD1 4.02Å; F234-I252 HydrophobicContact CE1-CG2 3.74Å; F234-I252 HydrophobicContact CE2-CD1 4.41Å; F234-I252 HydrophobicContact CZ-CD1 3.79Å; F234-F255 HydrophobicContact CD1-CD1 4.26Å; F234-F255 AromaticContact CE1-CD1 3.75Å; F234-F255 HydrophobicContact CE1-CD1 3.75Å; F234-F255 AromaticContact CE1-CE1 3.58Å; F234-F255 HydrophobicContact CE1-CE1 3.58Å; F234-F255 HydrophobicContact CZ-CE1 4.24Å; F234-L257 CarbonylContact O-C 3.36Å; F234-D294 PolarHBondContact N-OD1 3.42Å; F234-D294 PolarHBondContact N-OD2 2.91Å
235	R	73.3	Confident	64.1	Low	20 Å²	20	49 Å²	49	8%	0.075	25%	0.245	C	C	.	.	S	Bend	trans	62	-18.2	-172.5	-51.7	175.8	69.1	-144.1	-6.6	116.1	F233 L257 F289 D294	F233-R235 HydrophobicContact CD2-CG 3.37Å; F233-R235 VanDerWaalsContact CE2-CD 3.48Å; F233-R235 HydrophobicContact CE2-CG 3.37Å; R235-L257 HydrophobicContact CB-CB 4.21Å; R235-L257 VanDerWaalsContact CD-O 3.26Å; R235-L257 WeakPolarHBondContact CD-O 3.2Å; R235-F289 HydrophobicContact CB-CD1 4.23Å; R235-F289 HydrophobicContact CG-CB 4.24Å; R235-F289 HydrophobicContact CG-CD1 3.98Å; R235-F289 HydrophobicContact CG-CG 4.13Å; R235-F289 VanDerWaalsContact NH2-CE2 3.29Å; R235-D294 PolarHBondContact N-OD1 3.29Å
236	D	80.4	Confident	64.7	Low	22 Å²	22	54.3 Å²	54.3	12%	0.118	27%	0.27	C	S	.	.			trans	-133.1	57.4	175.6	-166.6	13.1	0	0	0	112.6	F234 A238 R240 N241 L257 P275	F234-D236 PolarHBondContact O-N 3.38Å; D236-A238 PolarHBondContact O-N 2.81Å; D236-R240 IonicContact OD1-CZ 3.4Å; D236-R240 IonicContact OD1-NH1 3.83Å; D236-R240 IonicContact OD1-NH2 2.59Å; D236-R240 PolarHBondContact OD1-NH2 3.31Å; D236-R240 IonicContact OD2-CZ 3.67Å; D236-R240 IonicContact OD2-NE 3.95Å; D236-R240 IonicContact OD2-NH2 2.78Å; D236-R240 PolarHBondContact OD2-NH2 3.28Å; D236-N241 PolarHBondContact O-ND2 3.07Å; D236-N241 PolarHBondContact OD2-ND2 2.79Å; D236-L257 HydrophobicContact CB-CD1 3.88Å; D236-P275 WeakPolarHBondContact OD1-CG 3.36Å
237	L	83.5	Confident	65.3	Low	1 Å²	1	56.7 Å²	56.7	1%	0.005	27%	0.273	C	S	.	.			trans	-82.5	107.8	171.9	-179.7	63.8	0	0	0	110.1	L221 A297 F298 L301 F359	L221-L237 HydrophobicContact CD1-CD1 3.89Å; L221-L237 HydrophobicContact CD2-CD1 3.91Å; L221-L237 HydrophobicContact CD2-CD2 3.41Å; L221-L237 VanDerWaalsContact CD2-CD2 3.41Å; L221-L237 HydrophobicContact CD2-CG 4.32Å; L237-A297 HydrophobicContact CB-CB 4Å; L237-F298 HydrophobicContact CD2-CB 3.75Å; L237-F298 HydrophobicContact CD2-CD2 4.14Å; L237-F298 HydrophobicContact CD2-CG 4.46Å; L237-L301 HydrophobicContact CD1-CD2 3.96Å; L237-L301 HydrophobicContact CG-CD2 4.09Å; L237-F359 HydrophobicContact CD2-CZ 4.15Å
238	A	82.6	Confident	65.9	Low	0 Å²	0	59.3 Å²	59.3	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	-153.1	163.1	-178	0	0	0	0	0	110.8	D236 R240 N241 C242 W278	D236-A238 PolarHBondContact O-N 2.81Å; A238-R240 HydrophobicContact CB-CG 4.1Å; A238-R240 VanDerWaalsContact CB-NH1 3.28Å; A238-R240 PolarHBondContact O-N 2.89Å; A238-N241 PolarHBondContact O-N 3.28Å; A238-C242 PolarHBondContact O-SG 3.23Å; A238-C242 VanDerWaalsContact O-SG 3.32Å; A238-W278 HydrophobicContact CB-CD2 4.33Å; A238-W278 HydrophobicContact CB-CG 4.17Å
239	A	77	Confident	66.7	Low	13 Å²	13	53.6 Å²	53.6	11%	0.107	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-59.8	-35.5	-176.9	0	0	0	0	0	112.6	F213 N241 C242 L301 E304	F213-A239 HydrophobicContact CE1-CB 3.96Å; A239-N241 PolarHBondContact O-N 3.44Å; A239-C242 WeakPolarHBondContact O-CB 3.39Å; A239-C242 PolarHBondContact O-N 2.96Å; A239-L301 HydrophobicContact CB-CD1 3.84Å; A239-E304 HydrophobicContact CB-CB 4.12Å; A239-E304 HydrophobicContact CB-CG 4.47Å; A239-E304 WeakPolarHBondContact CB-OE1 3.18Å; A239-E304 WeakPolarHBondContact CB-OE2 3.14Å; A239-E304 PolarHBondContact N-OE2 3.06Å
240	R	77.6	Confident	67.4	Low	106 Å²	106	43.3 Å²	43.3	40%	0.4	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-60.9	-24.4	175.8	66.9	178.4	-171.4	-79.8	-1.7	114.7	D236 A238	D236-R240 IonicContact OD1-CZ 3.4Å; D236-R240 IonicContact OD1-NH1 3.83Å; D236-R240 IonicContact OD1-NH2 2.59Å; D236-R240 PolarHBondContact OD1-NH2 3.31Å; D236-R240 IonicContact OD2-CZ 3.67Å; D236-R240 IonicContact OD2-NE 3.95Å; D236-R240 IonicContact OD2-NH2 2.78Å; D236-R240 PolarHBondContact OD2-NH2 3.28Å; A238-R240 HydrophobicContact CB-CG 4.1Å; A238-R240 VanDerWaalsContact CB-NH1 3.28Å; A238-R240 PolarHBondContact O-N 2.89Å
241	N	77.6	Confident	68.2	Low	15 Å²	15	39.7 Å²	39.7	8%	0.08	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-99	15	178.3	-64.5	-13.3	0	0	0	111.6	D236 A238 A239 A253	D236-N241 PolarHBondContact O-ND2 3.07Å; D236-N241 PolarHBondContact OD2-ND2 2.79Å; A238-N241 PolarHBondContact O-N 3.28Å; A239-N241 PolarHBondContact O-N 3.44Å; N241-A253 PolarHBondContact O-N 3.35Å
242	C	71.5	Confident	68.8	Low	13 Å²	13	34.1 Å²	34.1	9%	0.088	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	120	175.7	-61.4	0	0	0	0	109.8	F217 A238 A239 V250	F217-C242 HydrophobicContact CE2-CB 4.17Å; F217-C242 HydrophobicContact CZ-CB 4.26Å; A238-C242 PolarHBondContact O-SG 3.23Å; A238-C242 VanDerWaalsContact O-SG 3.32Å; A239-C242 WeakPolarHBondContact O-CB 3.39Å; A239-C242 PolarHBondContact O-N 2.96Å; C242-V250 HydrophobicContact CB-CG1 3.87Å
243	L	65	Low	69	Low	23 Å²	23	34.2 Å²	34.2	12%	0.12	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	139.3	-178.1	-68.9	-179.8	0	0	0	110.8	I195 F208 F210 V250 K251 A253	I195-L243 HydrophobicContact CD1-CB 4.39Å; I195-L243 HydrophobicContact CD1-CD1 3.81Å; I195-L243 HydrophobicContact CG1-CD1 4.1Å; F208-L243 HydrophobicContact CB-CB 3.64Å; F208-L243 HydrophobicContact CB-CD1 4.11Å; F208-L243 HydrophobicContact CB-CD2 4.48Å; F208-L243 HydrophobicContact CB-CG 4.29Å; F208-L243 HydrophobicContact CD1-CB 4.44Å; F208-L243 HydrophobicContact CD2-CB 4.43Å; F208-L243 HydrophobicContact CD2-CD1 4.47Å; F208-L243 HydrophobicContact CG-CB 3.92Å; F210-L243 HydrophobicContact CD1-CD2 4.16Å; F210-L243 HydrophobicContact CE1-CD2 4.18Å; F210-L243 HydrophobicContact CG-CD2 4.36Å; F210-L243 HydrophobicContact CZ-CD2 4.39Å; L243-V250 CarbonylContact O-C 3.57Å; L243-V250 WeakPolarHBondContact O-CA 3.48Å; L243-K251 PolarHBondContact N-O 3.2Å; L243-K251 PolarHBondContact O-N 3.36Å; L243-A253 HydrophobicContact CD1-CB 3.55Å; L243-A253 HydrophobicContact CG-CB 3.76Å
244	V	63.4	Low	69	Low	16 Å²	16	36.4 Å²	36.4	10%	0.097	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.2	-173.9	-169.7	0	0	0	0	110.9	A211 V215	A211-V244 HydrophobicContact CB-CB 4Å; A211-V244 HydrophobicContact CB-CG2 4.19Å; V215-V244 HydrophobicContact CB-CG2 4.26Å; V215-V244 HydrophobicContact CG1-CG2 3.58Å; V215-V244 HydrophobicContact CG2-CG2 3.79Å
245	G	59.4	Low	68.8	Low	17 Å²	17	36 Å²	36	18%	0.175	18%	0.178	C	C	.	.			trans	-101.2	-177	-177.9	0	0	0	0	0	114.2	F208 H248 I249	F208-G245 VanDerWaalsContact CD1-CA 3.42Å; G245-H248 PolarHBondContact O-N 2.88Å; G245-I249 PolarHBondContact N-O 2.84Å
246	E	61.3	Low	68	Low	134 Å²	134	35.6 Å²	35.6	63%	0.626	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-48.9	143.5	163.4	-67.8	-175	-153.5	0	0	111.1	K130 H248	K130-E246 IonicContact NZ-OE1 3.16Å; K130-E246 PolarHBondContact NZ-OE1 3.43Å; K130-E246 IonicContact NZ-OE2 3.86Å; K130-E246 PolarHBondContact NZ-OE2 3.35Å; E246-H248 PolarHBondContact O-N 3.21Å
247	K	56	Low	67	Low	109 Å²	109	35.5 Å²	35.5	47%	0.474	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	53.8	42.1	-176.7	-50.7	-175	-179.9	-173.1	0	112.5	Y66 L67 I249	Y66-K247 HydrophobicContact CE1-CB 4.07Å; Y66-K247 WeakPolarHBondContact CE1-O 3.37Å; Y66-K247 VanDerWaalsContact CZ-O 3.3Å; Y66-K247 VanDerWaalsContact OH-CA 3.23Å; Y66-K247 WeakPolarHBondContact OH-CA 3.41Å; Y66-K247 PolarHBondContact OH-O 2.8Å; L67-K247 HydrophobicContact CD2-CD 4.29Å; K247-I249 PolarHBondContact O-N 2.61Å
248	H	55.7	Low	66.1	Low	97 Å²	97	35.6 Å²	35.6	45%	0.449	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	48.7	26.4	173.9	-54	-64.5	0	0	0	114.9	Y66 F216 G245 E246 V250	Y66-H248 PolarHBondContact OH-CD2 3.38Å; F216-H248 HydrophobicContact CB-CB 4.24Å; G245-H248 PolarHBondContact O-N 2.88Å; E246-H248 PolarHBondContact O-N 3.21Å; H248-V250 PolarHBondContact O-N 3.15Å; H248-V250 VanDerWaalsContact O-N 3.11Å
249	I	58.9	Low	65.2	Low	64 Å²	64	40.4 Å²	40.4	33%	0.328	20%	0.198	S	C	.	.			trans	-73	109.1	178	-62.4	177.7	0	0	0	107.7	G245 K247 K251	G245-I249 PolarHBondContact N-O 2.84Å; K247-I249 PolarHBondContact O-N 2.61Å; I249-K251 HydrophobicContact CG2-CG 4.25Å
250	V	63	Low	64.7	Low	10 Å²	10	43.1 Å²	43.1	6%	0.061	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	132.8	174.2	-170.2	0	0	0	0	109.8	N193 V215 F216 F217 C242 L243 H248	N193-V250 WeakPolarHBondContact CB-O 3.44Å; N193-V250 PolarHBondContact ND2-O 2.88Å; V215-V250 HydrophobicContact CG1-CG1 4.21Å; V215-V250 HydrophobicContact CG1-CG2 3.51Å; F216-V250 WeakPolarHBondContact O-CG2 3.43Å; F217-V250 HydrophobicContact CD2-CG1 4.37Å; F217-V250 HydrophobicContact CD2-CG2 4.37Å; F217-V250 HydrophobicContact CE2-CG1 3.7Å; F217-V250 HydrophobicContact CE2-CG2 4.49Å; F217-V250 HydrophobicContact CZ-CG1 3.77Å; C242-V250 HydrophobicContact CB-CG1 3.87Å; L243-V250 CarbonylContact O-C 3.57Å; L243-V250 WeakPolarHBondContact O-CA 3.48Å; H248-V250 PolarHBondContact O-N 3.15Å; H248-V250 VanDerWaalsContact O-N 3.11Å
251	K	66.5	Low	63.9	Low	25 Å²	25	39.3 Å²	39.3	11%	0.109	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134	173	-57.3	-157.6	-179.9	-174.6	0	110.7	R192 N193 L194 I195 D206 F208 L243 I249	R192-K251 WeakPolarHBondContact O-CE 3.16Å; N193-K251 CarbonylContact O-C 3.51Å; N193-K251 VanDerWaalsContact O-CA 3.3Å; N193-K251 WeakPolarHBondContact O-CA 3.43Å; L194-K251 WeakPolarHBondContact O-CD 3.49Å; I195-K251 HydrophobicContact CD1-CB 3.83Å; I195-K251 HydrophobicContact CD1-CD 4.15Å; I195-K251 HydrophobicContact CG1-CB 4.03Å; D206-K251 IonicContact OD2-NZ 3.42Å; D206-K251 PolarHBondContact OD2-NZ 3.11Å; F208-K251 HydrophobicContact CE1-CD 3.99Å; F208-K251 HydrophobicContact CE1-CG 4.03Å; F208-K251 HydrophobicContact CE2-CD 3.78Å; F208-K251 HydrophobicContact CE2-CG 4.46Å; F208-K251 HydrophobicContact CZ-CD 3.33Å; F208-K251 HydrophobicContact CZ-CG 3.88Å; L243-K251 PolarHBondContact N-O 3.2Å; L243-K251 PolarHBondContact O-N 3.36Å; I249-K251 HydrophobicContact CG2-CG 4.25Å
252	I	72.2	Confident	63.2	Low	8 Å²	8	50.2 Å²	50.2	4%	0.041	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	135.6	173.3	-42.1	167.2	0	0	0	108.9	N193 L194 I195 L221 L224 F234	N193-I252 PolarHBondContact O-N 2.8Å; L194-I252 HydrophobicContact CD2-CB 3.72Å; L194-I252 HydrophobicContact CD2-CD1 3.68Å; L194-I252 HydrophobicContact CD2-CG1 3.98Å; I195-I252 WeakPolarHBondContact CB-O 3.32Å; I195-I252 VanDerWaalsContact CG1-O 3.26Å; I195-I252 WeakPolarHBondContact CG1-O 3.48Å; I195-I252 PolarHBondContact N-O 2.86Å; L221-I252 HydrophobicContact CD1-CD1 3.49Å; L221-I252 VanDerWaalsContact CD1-CD1 3.49Å; L221-I252 HydrophobicContact CD1-CG1 3.85Å; L221-I252 HydrophobicContact CD2-CD1 4.12Å; L221-I252 HydrophobicContact CG-CD1 3.5Å; L221-I252 HydrophobicContact CG-CG1 4.4Å; L224-I252 HydrophobicContact CD2-CD1 4.06Å; F234-I252 HydrophobicContact CD1-CG2 3.99Å; F234-I252 HydrophobicContact CE1-CB 4.34Å; F234-I252 HydrophobicContact CE1-CD1 4.02Å; F234-I252 HydrophobicContact CE1-CG2 3.74Å; F234-I252 HydrophobicContact CE2-CD1 4.41Å; F234-I252 HydrophobicContact CZ-CD1 3.79Å
253	A	65.8	Low	63	Low	14 Å²	14	56.5 Å²	56.5	12%	0.116	26%	0.263	C	S	.	.			trans	-122.6	-179.4	179.5	0	0	0	0	0	111.1	I195 N241 L243	I195-A253 HydrophobicContact CG1-CB 3.85Å; N241-A253 PolarHBondContact O-N 3.35Å; L243-A253 HydrophobicContact CD1-CB 3.55Å; L243-A253 HydrophobicContact CG-CB 3.76Å
254	D	67.1	Low	63.3	Low	48 Å²	48	63.8 Å²	63.8	26%	0.257	30%	0.296	S	S	.	.			trans	47.4	78.7	179.2	-152.4	-5.4	0	0	0	114.9	K167 G256	K167-D254 IonicContact NZ-OD1 3.61Å; K167-D254 PolarHBondContact NZ-OD1 3.35Å; D254-G256 PolarHBondContact O-N 3.38Å; D254-G256 PolarHBondContact OD1-N 2.89Å
255	F	66.4	Low	64.1	Low	1 Å²	1	66.4 Å²	66.4	0%	0.004	31%	0.312	C	S	.	.			trans	-85	14.9	177.1	-54.5	-105.4	0	0	0	111.8	E182 I185 M186 L189 L194 I195 F234 L257 A258	E182-F255 HydrophobicContact CG-CB 3.95Å; E182-F255 PolarHBondContact OE1-N 2.79Å; I185-F255 HydrophobicContact CG2-CD1 4.46Å; M186-F255 HydrophobicContact CE-CD2 4.01Å; M186-F255 HydrophobicContact CE-CE2 3.89Å; M186-F255 HydrophobicContact CG-CB 4.13Å; M186-F255 HydrophobicContact CG-CD2 3.38Å; M186-F255 HydrophobicContact CG-CE2 3.77Å; M186-F255 HydrophobicContact CG-CG 3.82Å; M186-F255 HydrophobicContact CG-CZ 4.48Å; M186-F255 HydrophobicContact SD-CD2 3.64Å; M186-F255 HydrophobicContact SD-CE2 4.13Å; M186-F255 HydrophobicContact SD-CG 4.47Å; L189-F255 HydrophobicContact CD1-CD1 4.05Å; L189-F255 HydrophobicContact CD1-CE1 3.64Å; L189-F255 HydrophobicContact CD1-CZ 4.47Å; L194-F255 HydrophobicContact CB-CZ 4.23Å; L194-F255 HydrophobicContact CD1-CE1 3.99Å; L194-F255 HydrophobicContact CD1-CZ 4Å; L194-F255 HydrophobicContact CD2-CE1 3.85Å; L194-F255 HydrophobicContact CD2-CZ 3.68Å; L194-F255 HydrophobicContact CG-CE1 4.46Å; L194-F255 HydrophobicContact CG-CZ 4.18Å; I195-F255 HydrophobicContact CB-CE2 4.39Å; F234-F255 HydrophobicContact CD1-CD1 4.26Å; F234-F255 AromaticContact CE1-CD1 3.75Å; F234-F255 HydrophobicContact CE1-CD1 3.75Å; F234-F255 AromaticContact CE1-CE1 3.58Å; F234-F255 HydrophobicContact CE1-CE1 3.58Å; F234-F255 HydrophobicContact CZ-CE1 4.24Å; F255-L257 PolarHBondContact O-N 2.78Å; F255-L257 VanDerWaalsContact O-N 3.15Å; F255-A258 HydrophobicContact CB-CB 3.94Å; F255-A258 HydrophobicContact CD1-CB 4.42Å; F255-A258 WeakPolarHBondContact O-CB 3.4Å; F255-A258 PolarHBondContact O-N 3.23Å
256	G	57.3	Low	65	Low	11 Å²	11	68.1 Å²	68.1	11%	0.113	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.6	-174.2	0	0	0	0	0	114.6	D254	D254-G256 PolarHBondContact O-N 3.38Å; D254-G256 PolarHBondContact OD1-N 2.89Å
257	L	58.9	Low	66.1	Low	21 Å²	21	65.9 Å²	65.9	11%	0.11	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-9.9	173.4	-71.9	171.7	0	0	0	114	Y149 F234 R235 D236 F255	Y149-L257 WeakPolarHBondContact OH-CD2 3.45Å; F234-L257 CarbonylContact O-C 3.36Å; R235-L257 HydrophobicContact CB-CB 4.21Å; R235-L257 VanDerWaalsContact CD-O 3.26Å; R235-L257 WeakPolarHBondContact CD-O 3.2Å; D236-L257 HydrophobicContact CB-CD1 3.88Å; F255-L257 PolarHBondContact O-N 2.78Å; F255-L257 VanDerWaalsContact O-N 3.15Å
258	A	64	Low	67.2	Low	3 Å²	3	61 Å²	61	3%	0.025	29%	0.289	C	S	.	.			trans	-68.4	150.8	-176.3	0	0	0	0	0	111.8	I185 V232 F233 F255	I185-A258 HydrophobicContact CD1-CB 4.3Å; I185-A258 WeakPolarHBondContact CD1-O 3.46Å; V232-A258 HydrophobicContact CG1-CB 4.28Å; F233-A258 WeakPolarHBondContact O-CA 3.38Å; F233-A258 WeakPolarHBondContact O-CB 3.29Å; F255-A258 HydrophobicContact CB-CB 3.94Å; F255-A258 HydrophobicContact CD1-CB 4.42Å; F255-A258 WeakPolarHBondContact O-CB 3.4Å; F255-A258 PolarHBondContact O-N 3.23Å
259	R	65.4	Low	68.4	Low	100 Å²	100	66.6 Å²	66.6	38%	0.377	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	149.1	176.1	-64.1	-177.4	176.2	-134	-6.6	111.2	V232 F233 M261 Y266	V232-R259 WeakPolarHBondContact CA-O 3.17Å; F233-R259 HydrophobicContact CD1-CB 4.38Å; F233-R259 WeakPolarHBondContact CD1-O 3.28Å; F233-R259 HydrophobicContact CE1-CB 3.55Å; F233-R259 WeakPolarHBondContact CE1-O 3.39Å; F233-R259 HydrophobicContact CZ-CB 3.74Å; F233-R259 HydrophobicContact CZ-CG 4.38Å; F233-R259 PolarHBondContact N-O 3.5Å; F233-R259 PolarHBondContact O-N 3.03Å; F233-R259 VanDerWaalsContact O-N 3.08Å; R259-M261 PolarHBondContact O-N 3.44Å; R259-Y266 PolarHBondContact NH1-OH 2.86Å; R259-Y266 VanDerWaalsContact NH1-OH 3.13Å
260	F	65	Low	69.2	Low	70 Å²	70	68.1 Å²	68.1	31%	0.307	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	126.8	161.7	-67.8	-71.1	0	0	0	109.3	I185 N230 F231 V232	I185-F260 HydrophobicContact CB-CE2 4.23Å; I185-F260 HydrophobicContact CB-CZ 4.39Å; I185-F260 HydrophobicContact CG1-CD2 3.8Å; I185-F260 HydrophobicContact CG1-CE2 3.5Å; I185-F260 HydrophobicContact CG1-CZ 4.09Å; N230-F260 HydrophobicContact CB-CD1 4.18Å; N230-F260 HydrophobicContact CB-CE1 3.99Å; F231-F260 WeakPolarHBondContact O-CA 3.24Å; V232-F260 HydrophobicContact CG2-CD1 3.57Å; V232-F260 HydrophobicContact CG2-CE1 3.73Å; V232-F260 HydrophobicContact CG2-CG 4.47Å
261	M	62.4	Low	69.7	Low	26 Å²	26	71.3 Å²	71.3	13%	0.128	36%	0.363	C	S	.	.			trans	-75.4	121.7	167.8	-94.4	169.5	-61.8	0	0	109.3	F231 F233 R259 E263 T291	F231-M261 HydrophobicContact CB-CB 3.8Å; F231-M261 HydrophobicContact CB-CE 3.96Å; F231-M261 PolarHBondContact O-N 3.32Å; F233-M261 HydrophobicContact CB-CE 3.76Å; F233-M261 HydrophobicContact CD1-CE 3.72Å; F233-M261 HydrophobicContact CD1-CG 3.52Å; F233-M261 HydrophobicContact CD1-SD 3.89Å; F233-M261 HydrophobicContact CE1-CG 3.64Å; F233-M261 HydrophobicContact CE1-SD 4.46Å; F233-M261 HydrophobicContact CG-CE 4.08Å; F233-M261 HydrophobicContact CG-SD 4.36Å; R259-M261 PolarHBondContact O-N 3.44Å; M261-E263 VanDerWaalsContact CB-O 3.32Å; M261-E263 WeakPolarHBondContact CB-O 3.32Å; M261-E263 VanDerWaalsContact CG-O 3.23Å; M261-E263 WeakPolarHBondContact CG-O 3.35Å; M261-T291 HydrophobicContact CE-CG2 3.41Å; M261-T291 VanDerWaalsContact CE-CG2 3.41Å; M261-T291 HydrophobicContact SD-CG2 4.49Å
262	R	63	Low	70	Confident	244 Å²	244	71.7 Å²	71.7	92%	0.921	37%	0.372	S	S	*	.	S	Bend	trans	-91	-22.2	162.5	-65.1	-176.8	178.1	-174.4	-1.7	112
263	E	66.9	Low	70.1	Confident	146 Å²	146	79.7 Å²	79.7	68%	0.682	41%	0.406	S	S	*	.	S	Bend	trans	-133.1	160	-176.2	-69.5	162.5	-147.9	0	0	107.3	M261 T265	M261-E263 VanDerWaalsContact CB-O 3.32Å; M261-E263 WeakPolarHBondContact CB-O 3.32Å; M261-E263 VanDerWaalsContact CG-O 3.23Å; M261-E263 WeakPolarHBondContact CG-O 3.35Å; E263-T265 PolarHBondContact O-N 3.47Å; E263-T265 VanDerWaalsContact O-N 3.16Å
264	E	71.4	Confident	70.7	Confident	176 Å²	176	81.4 Å²	81.4	82%	0.822	41%	0.411	S	S	*	.	S	Bend	trans	-63.8	-21.1	-175.9	-60.5	-174.8	164.4	0	0	114.1	S290	E264-S290 VanDerWaalsContact O-CB 3.29Å; E264-S290 WeakPolarHBondContact O-CB 3.35Å
265	T	79.1	Confident	71.6	Confident	70 Å²	70	80.1 Å²	80.1	43%	0.429	41%	0.405	S	S	.	.			trans	-135.3	157.5	178.2	64.9	0	0	0	0	110.9	E263 T288 F289	E263-T265 PolarHBondContact O-N 3.47Å; E263-T265 VanDerWaalsContact O-N 3.16Å; T265-T288 HydrophobicContact CG2-CG2 4.19Å; T265-F289 CarbonylContact C-O 3.47Å; T265-F289 WeakPolarHBondContact CA-O 3.45Å
266	Y	79.4	Confident	72.8	Confident	53 Å²	53	82.9 Å²	82.9	21%	0.208	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	118.5	175.9	169.4	-103.6	0	0	0	110	F233 R259 A268 F289	F233-Y266 HydrophobicContact CE1-CG 4.48Å; F233-Y266 AromaticContact CE2-CD1 3.75Å; F233-Y266 HydrophobicContact CE2-CD1 3.75Å; F233-Y266 HydrophobicContact CE2-CG 4.12Å; F233-Y266 AromaticContact CZ-CD1 3.52Å; F233-Y266 HydrophobicContact CZ-CD1 3.52Å; F233-Y266 HydrophobicContact CZ-CD2 4.47Å; F233-Y266 HydrophobicContact CZ-CE1 4.49Å; F233-Y266 AromaticContact CZ-CG 3.51Å; F233-Y266 HydrophobicContact CZ-CG 3.51Å; R259-Y266 PolarHBondContact NH1-OH 2.86Å; R259-Y266 VanDerWaalsContact NH1-OH 3.13Å; Y266-A268 HydrophobicContact CE1-CB 3.8Å; Y266-F289 HydrophobicContact CD1-CD2 4.33Å; Y266-F289 PolarHBondContact N-O 2.78Å; Y266-F289 PolarHBondContact O-N 3.31Å
267	T	84	Confident	74.6	Confident	88 Å²	88	83 Å²	83	54%	0.54	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	117.9	170.8	-54.1	0	0	0	0	110	N287	T267-N287 CarbonylContact C-O 3.41Å; T267-N287 WeakPolarHBondContact CA-O 3.25Å
268	A	79.1	Confident	76.3	Confident	6 Å²	6	83.8 Å²	83.8	5%	0.05	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-73.3	156.9	174.2	0	0	0	0	0	111.3	Y266 A272 N287 F289	Y266-A268 HydrophobicContact CE1-CB 3.8Å; A268-A272 HydrophobicContact CB-CB 4.11Å; A268-N287 HydrophobicContact CB-CB 4.2Å; A268-N287 PolarHBondContact N-O 2.89Å; A268-F289 HydrophobicContact CB-CD2 4.16Å; A268-F289 HydrophobicContact CB-CE2 3.74Å
269	R	79.8	Confident	77.7	Confident	215 Å²	215	83.9 Å²	83.9	81%	0.811	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-62.5	143.1	176.2	-64.6	179.5	-179.3	165.1	-0.9	110.3	G271 A272	R269-G271 PolarHBondContact O-N 3.3Å; R269-A272 WeakPolarHBondContact O-CB 3.39Å; R269-A272 PolarHBondContact O-N 3.32Å
270	A	77.4	Confident	79.2	Confident	95 Å²	95	79.2 Å²	79.2	79%	0.785	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	136.4	171.4	0	0	0	0	0	110.9	A272	A270-A272 VanDerWaalsContact C-N 3.33Å
271	G	73.6	Confident	80.7	Confident	77 Å²	77	76.1 Å²	76.1	79%	0.794	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	2.4	-175.4	0	0	0	0	0	115.5	R269 K273	R269-G271 PolarHBondContact O-N 3.3Å; G271-K273 PolarHBondContact O-N 2.83Å
272	A	72	Confident	82.3	Confident	34 Å²	34	76.3 Å²	76.3	28%	0.281	39%	0.389	S	S	.	.			trans	-60.3	133.2	168.9	0	0	0	0	0	110.7	A268 R269 A270 F274	A268-A272 HydrophobicContact CB-CB 4.11Å; R269-A272 WeakPolarHBondContact O-CB 3.39Å; R269-A272 PolarHBondContact O-N 3.32Å; A270-A272 VanDerWaalsContact C-N 3.33Å; A272-F274 VanDerWaalsContact O-CD1 3.25Å; A272-F274 WeakPolarHBondContact O-CD1 3.14Å; A272-F274 VanDerWaalsContact O-CE1 3.25Å; A272-F274 WeakPolarHBondContact O-CE1 3.46Å
273	K	73.2	Confident	83.7	Confident	175 Å²	175	64.7 Å²	64.7	76%	0.761	35%	0.345	S	S	*	.			trans	-85.3	143.3	175.1	-62.3	-178.9	-179.1	179.7	0	110.3	G271	G271-K273 PolarHBondContact O-N 2.83Å
274	F	78.9	Confident	84.9	Confident	50 Å²	50	59.3 Å²	59.3	22%	0.219	32%	0.321	C	S	.	.			trans	-152.1	158	178.6	43.1	-99.7	0	0	0	110.7	A272 I276 T279 L284 N287 F289	A272-F274 VanDerWaalsContact O-CD1 3.25Å; A272-F274 WeakPolarHBondContact O-CD1 3.14Å; A272-F274 VanDerWaalsContact O-CE1 3.25Å; A272-F274 WeakPolarHBondContact O-CE1 3.46Å; F274-I276 HydrophobicContact CD2-CG1 4.41Å; F274-I276 HydrophobicContact CE2-CG1 4.33Å; F274-I276 PolarHBondContact O-N 3.34Å; F274-T279 HydrophobicContact CD2-CG2 3.88Å; F274-T279 HydrophobicContact CE2-CG2 4.24Å; F274-T279 HydrophobicContact CG-CG2 4.46Å; F274-L284 HydrophobicContact CD2-CD2 4.31Å; F274-L284 HydrophobicContact CE2-CD2 3.7Å; F274-N287 WeakPolarHBondContact CE1-OD1 3.43Å; F274-F289 HydrophobicContact CB-CZ 4.45Å; F274-F289 HydrophobicContact CD1-CZ 4.12Å; F274-F289 HydrophobicContact CG-CZ 4.33Å
275	P	87.3	Confident	85.9	Confident	22 Å²	22	52.9 Å²	52.9	14%	0.143	30%	0.298	C	S	.	.			trans	-73.7	91	-179.6	32.2	-38.7	0	0	0	111	D236 K277 W278 T279	D236-P275 WeakPolarHBondContact OD1-CG 3.36Å; P275-K277 VanDerWaalsContact C-N 3.27Å; P275-K277 PolarHBondContact O-N 3.03Å; P275-W278 HydrophobicContact CB-CB 4.41Å; P275-W278 HydrophobicContact CB-CE3 3.92Å; P275-W278 HydrophobicContact CG-CB 4.28Å; P275-W278 PolarHBondContact O-N 3.34Å; P275-T279 PolarHBondContact O-N 2.82Å; P275-T279 VanDerWaalsContact O-N 3.1Å; P275-T279 PolarHBondContact O-OG1 3.35Å
276	I	91.8	Very high	86.5	Confident	58 Å²	58	57 Å²	57	30%	0.297	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-43.9	-48.6	-172.1	-66.6	168.9	0	0	0	113	F274 W278 T279 L284 F318 V321	F274-I276 HydrophobicContact CD2-CG1 4.41Å; F274-I276 HydrophobicContact CE2-CG1 4.33Å; F274-I276 PolarHBondContact O-N 3.34Å; I276-W278 VanDerWaalsContact C-N 3.28Å; I276-W278 PolarHBondContact O-N 3.23Å; I276-T279 PolarHBondContact O-N 3.49Å; I276-T279 VanDerWaalsContact O-N 3.16Å; I276-L284 HydrophobicContact CB-CD2 4.45Å; I276-L284 HydrophobicContact CG2-CD2 4.05Å; I276-F318 HydrophobicContact CD1-CB 3.91Å; I276-F318 HydrophobicContact CD1-CG 4.39Å; I276-V321 HydrophobicContact CG2-CB 4.16Å; I276-V321 HydrophobicContact CG2-CG1 4.4Å; I276-V321 HydrophobicContact CG2-CG2 4.21Å
277	K	94.5	Very high	87	Confident	14 Å²	14	56.3 Å²	56.3	6%	0.061	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-70.9	-14	-176.3	-66	-168.6	168.4	-166.6	0	115.6	P275 P312 Y313 V316 F318 V321	P275-K277 VanDerWaalsContact C-N 3.27Å; P275-K277 PolarHBondContact O-N 3.03Å; K277-P312 HydrophobicContact CB-CB 4.34Å; K277-P312 WeakPolarHBondContact CD-O 3.26Å; K277-P312 PolarHBondContact NZ-O 3.1Å; K277-Y313 HydrophobicContact CB-CD2 4.1Å; K277-Y313 HydrophobicContact CD-CD2 4.41Å; K277-Y313 HydrophobicContact CG-CD2 4.28Å; K277-Y313 PolarHBondContact NZ-O 3.19Å; K277-Y313 WeakPolarHBondContact O-CE2 3.4Å; K277-V316 VanDerWaalsContact CE-O 3.3Å; K277-V316 WeakPolarHBondContact CE-O 3.12Å; K277-V316 PolarHBondContact NZ-O 3.2Å; K277-F318 HydrophobicContact CD-CD1 4.26Å; K277-F318 HydrophobicContact CD-CE1 4.02Å; K277-F318 HydrophobicContact CG-CD1 4.11Å; K277-F318 HydrophobicContact CG-CE1 4.16Å; K277-V321 HydrophobicContact CG-CG2 4.15Å
278	W	94.5	Very high	87.2	Confident	37 Å²	37	53.5 Å²	53.5	14%	0.14	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-104.9	-9.8	173.3	-68.1	-104	0	0	0	112.3	A238 P275 I276 A297 V300 E304 P312	A238-W278 HydrophobicContact CB-CD2 4.33Å; A238-W278 HydrophobicContact CB-CG 4.17Å; P275-W278 HydrophobicContact CB-CB 4.41Å; P275-W278 HydrophobicContact CB-CE3 3.92Å; P275-W278 HydrophobicContact CG-CB 4.28Å; P275-W278 PolarHBondContact O-N 3.34Å; I276-W278 VanDerWaalsContact C-N 3.28Å; I276-W278 PolarHBondContact O-N 3.23Å; W278-A297 WeakPolarHBondContact O-CB 3.48Å; W278-V300 VanDerWaalsContact CD1-CG1 3.5Å; W278-V300 HydrophobicContact CD2-CG1 4.31Å; W278-V300 HydrophobicContact CG-CB 4.43Å; W278-V300 HydrophobicContact CG-CG1 3.93Å; W278-E304 HydrophobicContact CZ2-CG 4.49Å; W278-E304 WeakPolarHBondContact CZ2-OE1 3.43Å; W278-E304 VanDerWaalsContact NE1-CD 3.35Å; W278-E304 PolarHBondContact NE1-OE2 2.91Å; W278-P312 HydrophobicContact CH2-CG 4.18Å; W278-P312 HydrophobicContact CZ2-CG 3.71Å
279	T	94.1	Very high	87.7	Confident	6 Å²	6	53.4 Å²	53.4	4%	0.037	29%	0.288	C	S	.	.	S	Bend	trans	-83.8	135.3	-174.5	-56.5	0	0	0	0	110.3	F274 P275 I276 L284 F289 W296	F274-T279 HydrophobicContact CD2-CG2 3.88Å; F274-T279 HydrophobicContact CE2-CG2 4.24Å; F274-T279 HydrophobicContact CG-CG2 4.46Å; P275-T279 PolarHBondContact O-N 2.82Å; P275-T279 VanDerWaalsContact O-N 3.1Å; P275-T279 PolarHBondContact O-OG1 3.35Å; I276-T279 PolarHBondContact O-N 3.49Å; I276-T279 VanDerWaalsContact O-N 3.16Å; T279-L284 HydrophobicContact CG2-CD2 3.82Å; T279-L284 HydrophobicContact CG2-CG 4.09Å; T279-F289 HydrophobicContact CG2-CE1 4.1Å; T279-F289 HydrophobicContact CG2-CZ 4.49Å; T279-W296 PolarHBondContact O-NE1 3.5Å
280	A	96.5	Very high	88	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.008	25%	0.253	C	S	.	.			trans	-69.5	156.7	177.9	0	0	0	0	0	112.2	E282 G283 L284 W296	A280-E282 VanDerWaalsContact C-N 3.27Å; A280-E282 VanDerWaalsContact CB-CD 3.47Å; A280-E282 VanDerWaalsContact CB-OE1 3.27Å; A280-E282 WeakPolarHBondContact CB-OE1 3.29Å; A280-E282 WeakPolarHBondContact CB-OE2 3.39Å; A280-E282 PolarHBondContact O-N 2.71Å; A280-G283 WeakPolarHBondContact O-CA 3.43Å; A280-G283 PolarHBondContact O-N 3.15Å; A280-L284 PolarHBondContact O-N 2.87Å; A280-W296 HydrophobicContact CB-CB 3.71Å; A280-W296 HydrophobicContact CB-CD2 4.03Å; A280-W296 HydrophobicContact CB-CE3 4.49Å; A280-W296 HydrophobicContact CB-CG 3.65Å
281	P	96.6	Very high	88.4	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.032	23%	0.225	C	C	.	.	H	α-helix	trans	-52.9	-39.4	-177.8	-27.8	35.3	0	0	0	114.4	G283 L284 A285 W296 Y322 L325 W351	P281-G283 VanDerWaalsContact C-N 3.31Å; P281-G283 PolarHBondContact O-N 2.74Å; P281-L284 PolarHBondContact O-N 3.48Å; P281-A285 WeakPolarHBondContact O-CB 3.42Å; P281-A285 PolarHBondContact O-N 3.46Å; P281-W296 HydrophobicContact CG-CE3 4.39Å; P281-W296 HydrophobicContact CG-CH2 3.69Å; P281-W296 HydrophobicContact CG-CZ2 4.2Å; P281-W296 HydrophobicContact CG-CZ3 3.78Å; P281-Y322 HydrophobicContact CB-CE2 4.47Å; P281-L325 HydrophobicContact CG-CD1 4.48Å; P281-W351 HydrophobicContact CB-CE3 4.03Å; P281-W351 HydrophobicContact CB-CH2 3.91Å; P281-W351 HydrophobicContact CB-CZ2 4.46Å; P281-W351 HydrophobicContact CB-CZ3 3.66Å; P281-W351 HydrophobicContact CG-CE3 3.8Å; P281-W351 HydrophobicContact CG-CH2 4.49Å; P281-W351 HydrophobicContact CG-CZ3 3.74Å
282	E	94.7	Very high	89.3	Confident	30 Å²	30	39.2 Å²	39.2	14%	0.14	20%	0.196	C	C	.	.	H	α-helix	trans	-68.3	-28.3	176.5	70.1	-78.5	-172.8	0	0	113.5	A280 Y286 N287 T288 R356	A280-E282 VanDerWaalsContact C-N 3.27Å; A280-E282 VanDerWaalsContact CB-CD 3.47Å; A280-E282 VanDerWaalsContact CB-OE1 3.27Å; A280-E282 WeakPolarHBondContact CB-OE1 3.29Å; A280-E282 WeakPolarHBondContact CB-OE2 3.39Å; A280-E282 PolarHBondContact O-N 2.71Å; E282-Y286 HydrophobicContact CB-CD2 4.34Å; E282-Y286 WeakPolarHBondContact O-CA 3.32Å; E282-Y286 WeakPolarHBondContact O-CB 3.49Å; E282-Y286 PolarHBondContact O-N 2.83Å; E282-N287 PolarHBondContact O-N 3.3Å; E282-T288 PolarHBondContact O-N 2.97Å; E282-R356 IonicContact OE1-CZ 3.76Å; E282-R356 IonicContact OE1-NH1 3.56Å; E282-R356 PolarHBondContact OE1-NH1 3.45Å; E282-R356 IonicContact OE1-NH2 2.96Å; E282-R356 PolarHBondContact OE1-NH2 3.1Å; E282-R356 IonicContact OE2-CZ 2.84Å; E282-R356 IonicContact OE2-NH1 2.61Å; E282-R356 PolarHBondContact OE2-NH1 3.18Å; E282-R356 IonicContact OE2-NH2 3.23Å; E282-R356 PolarHBondContact OE2-NH2 3.27Å
283	G	92.9	Very high	90.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-74.4	-37.1	171.8	0	0	0	0	0	112.1	A280 P281 N287 T288	A280-G283 WeakPolarHBondContact O-CA 3.43Å; A280-G283 PolarHBondContact O-N 3.15Å; P281-G283 VanDerWaalsContact C-N 3.31Å; P281-G283 PolarHBondContact O-N 2.74Å; G283-N287 VanDerWaalsContact O-CA 3.32Å; G283-N287 WeakPolarHBondContact O-CA 3.48Å; G283-N287 PolarHBondContact O-N 3.28Å; G283-T288 VanDerWaalsContact CA-O 3.24Å; G283-T288 WeakPolarHBondContact CA-O 3.39Å; G283-T288 PolarHBondContact N-O 2.92Å
284	L	92.8	Very high	91.1	Very high	33 Å²	33	29.5 Å²	29.5	17%	0.173	15%	0.149	C	C	.	.	H	α-helix	trans	-69.3	-45.4	175.9	-63.3	-179.9	0	0	0	112.3	F274 I276 T279 A280 P281 V321 Y322 L325	F274-L284 HydrophobicContact CD2-CD2 4.31Å; F274-L284 HydrophobicContact CE2-CD2 3.7Å; I276-L284 HydrophobicContact CB-CD2 4.45Å; I276-L284 HydrophobicContact CG2-CD2 4.05Å; T279-L284 HydrophobicContact CG2-CD2 3.82Å; T279-L284 HydrophobicContact CG2-CG 4.09Å; A280-L284 PolarHBondContact O-N 2.87Å; P281-L284 PolarHBondContact O-N 3.48Å; L284-V321 HydrophobicContact CD1-CG1 4.43Å; L284-Y322 HydrophobicContact CB-CD2 3.89Å; L284-Y322 HydrophobicContact CD1-CD2 4.16Å; L284-L325 HydrophobicContact CD1-CD1 4.26Å
285	A	92.2	Very high	91.8	Very high	41 Å²	41	27.2 Å²	27.2	34%	0.339	14%	0.139	S	C	.	.	H	α-helix	trans	-83.9	-40.8	-174.6	0	0	0	0	0	113.7	P281 Y322	P281-A285 WeakPolarHBondContact O-CB 3.42Å; P281-A285 PolarHBondContact O-N 3.46Å; A285-Y322 HydrophobicContact CB-CE2 3.83Å
286	Y	91.4	Very high	92.2	Very high	158 Å²	158	26.2 Å²	26.2	62%	0.62	13%	0.132	S	C	*	.	H	α-helix	trans	-121.2	1.5	-167.6	-47.7	-57.9	0	0	0	113.7	E282 T288	E282-Y286 HydrophobicContact CB-CD2 4.34Å; E282-Y286 WeakPolarHBondContact O-CA 3.32Å; E282-Y286 WeakPolarHBondContact O-CB 3.49Å; E282-Y286 PolarHBondContact O-N 2.83Å; Y286-T288 PolarHBondContact O-N 3.47Å
287	N	89.4	Confident	92.4	Very high	37 Å²	37	23.6 Å²	23.6	20%	0.198	12%	0.119	C	C	.	.			trans	57	25.2	-170.3	-61.3	-75	0	0	0	113.5	T267 A268 F274 E282 G283 F289	T267-N287 CarbonylContact C-O 3.41Å; T267-N287 WeakPolarHBondContact CA-O 3.25Å; A268-N287 HydrophobicContact CB-CB 4.2Å; A268-N287 PolarHBondContact N-O 2.89Å; F274-N287 WeakPolarHBondContact CE1-OD1 3.43Å; E282-N287 PolarHBondContact O-N 3.3Å; G283-N287 VanDerWaalsContact O-CA 3.32Å; G283-N287 WeakPolarHBondContact O-CA 3.48Å; G283-N287 PolarHBondContact O-N 3.28Å; N287-F289 WeakPolarHBondContact O-CD2 3.36Å; N287-F289 WeakPolarHBondContact O-CE2 3.25Å
288	T	89.4	Confident	92.2	Very high	30 Å²	30	23.3 Å²	23.3	18%	0.184	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	131.8	-177.1	-57.3	0	0	0	0	111.1	T265 E282 G283 Y286	T265-T288 HydrophobicContact CG2-CG2 4.19Å; E282-T288 PolarHBondContact O-N 2.97Å; G283-T288 VanDerWaalsContact CA-O 3.24Å; G283-T288 WeakPolarHBondContact CA-O 3.39Å; G283-T288 PolarHBondContact N-O 2.92Å; Y286-T288 PolarHBondContact O-N 3.47Å
289	F	88.1	Confident	92.2	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.018	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.7	-177.9	-60.2	-91.3	0	0	0	110.8	F233 R235 T265 Y266 A268 F274 T279 N287 S293	F233-F289 HydrophobicContact CD2-CB 3.81Å; F233-F289 HydrophobicContact CE2-CB 3.56Å; F233-F289 HydrophobicContact CE2-CG 4.47Å; R235-F289 HydrophobicContact CB-CD1 4.23Å; R235-F289 HydrophobicContact CG-CB 4.24Å; R235-F289 HydrophobicContact CG-CD1 3.98Å; R235-F289 HydrophobicContact CG-CG 4.13Å; R235-F289 VanDerWaalsContact NH2-CE2 3.29Å; T265-F289 CarbonylContact C-O 3.47Å; T265-F289 WeakPolarHBondContact CA-O 3.45Å; Y266-F289 HydrophobicContact CD1-CD2 4.33Å; Y266-F289 PolarHBondContact N-O 2.78Å; Y266-F289 PolarHBondContact O-N 3.31Å; A268-F289 HydrophobicContact CB-CD2 4.16Å; A268-F289 HydrophobicContact CB-CE2 3.74Å; F274-F289 HydrophobicContact CB-CZ 4.45Å; F274-F289 HydrophobicContact CD1-CZ 4.12Å; F274-F289 HydrophobicContact CG-CZ 4.33Å; T279-F289 HydrophobicContact CG2-CE1 4.1Å; T279-F289 HydrophobicContact CG2-CZ 4.49Å; N287-F289 WeakPolarHBondContact O-CD2 3.36Å; N287-F289 WeakPolarHBondContact O-CE2 3.25Å; F289-S293 WeakPolarHBondContact CA-OG 3.33Å
290	S	86.8	Confident	92.3	Very high	11 Å²	11	21.2 Å²	21.2	8%	0.077	11%	0.109	C	C	.	.			trans	-161.2	-177	177.4	68	0	0	0	0	110.7	E264 K292 S293 D294	E264-S290 VanDerWaalsContact O-CB 3.29Å; E264-S290 WeakPolarHBondContact O-CB 3.35Å; S290-K292 PolarHBondContact O-N 2.7Å; S290-K292 PolarHBondContact OG-N 3.36Å; S290-K292 VanDerWaalsContact OG-N 3.12Å; S290-S293 PolarHBondContact N-OG 3.27Å; S290-S293 PolarHBondContact O-N 2.75Å; S290-S293 VanDerWaalsContact O-N 3.15Å; S290-S293 PolarHBondContact O-OG 2.9Å; S290-D294 PolarHBondContact O-N 3.18Å
291	T	86.5	Confident	91.9	Very high	34 Å²	34	21.2 Å²	21.2	21%	0.209	11%	0.109	C	C	.	.	H	α-helix	trans	-55.5	-31.1	167.7	56.9	0	0	0	0	112.5	I225 M261 D294 V295	I225-T291 HydrophobicContact CG2-CG2 3.66Å; M261-T291 HydrophobicContact CE-CG2 3.41Å; M261-T291 VanDerWaalsContact CE-CG2 3.41Å; M261-T291 HydrophobicContact SD-CG2 4.49Å; T291-D294 PolarHBondContact O-N 2.83Å; T291-V295 WeakPolarHBondContact O-CG2 3.08Å; T291-V295 PolarHBondContact O-N 3.05Å
292	K	91.9	Very high	91.5	Very high	43 Å²	43	21.6 Å²	21.6	19%	0.187	11%	0.111	C	C	.	.	H	α-helix	trans	-77.4	-24.9	179.7	-61.5	-68.6	-162.8	165.9	0	113.1	S290 V295 W296 A353 R356	S290-K292 PolarHBondContact O-N 2.7Å; S290-K292 PolarHBondContact OG-N 3.36Å; S290-K292 VanDerWaalsContact OG-N 3.12Å; K292-V295 PolarHBondContact O-N 3.43Å; K292-W296 PolarHBondContact O-N 3.42Å; K292-A353 HydrophobicContact CB-CB 3.9Å; K292-A353 WeakPolarHBondContact CB-O 3.39Å; K292-A353 WeakPolarHBondContact CD-O 3.34Å; K292-A353 VanDerWaalsContact CG-O 3.27Å; K292-A353 WeakPolarHBondContact CG-O 3.38Å; K292-R356 HydrophobicContact CD-CB 4.42Å; K292-R356 PolarHBondContact NZ-O 3.03Å; K292-R356 WeakPolarHBondContact O-CD 3.43Å; K292-R356 PolarHBondContact O-NH1 2.69Å
293	S	92.6	Very high	91.3	Very high	5 Å²	5	20.9 Å²	20.9	4%	0.035	11%	0.107	C	C	.	.	H	α-helix	trans	-73.4	-32.9	168.2	66.5	0	0	0	0	111.3	F289 S290 V295 W296 A297	F289-S293 WeakPolarHBondContact CA-OG 3.33Å; S290-S293 PolarHBondContact N-OG 3.27Å; S290-S293 PolarHBondContact O-N 2.75Å; S290-S293 VanDerWaalsContact O-N 3.15Å; S290-S293 PolarHBondContact O-OG 2.9Å; S293-V295 VanDerWaalsContact C-N 3.34Å; S293-W296 WeakPolarHBondContact O-CB 3.46Å; S293-W296 PolarHBondContact O-N 2.62Å; S293-A297 PolarHBondContact O-N 3.31Å; S293-A297 VanDerWaalsContact O-N 3.16Å
294	D	90.4	Very high	91	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-68.2	-32.1	171	-72.2	-13.7	0	0	0	112.1	F233 F234 R235 S290 T291 W296 A297 F298 F359	F233-D294 WeakPolarHBondContact CA-OD2 3.08Å; F233-D294 VanDerWaalsContact CB-OD2 3.32Å; F233-D294 WeakPolarHBondContact CB-OD2 3.18Å; F234-D294 PolarHBondContact N-OD1 3.42Å; F234-D294 PolarHBondContact N-OD2 2.91Å; R235-D294 PolarHBondContact N-OD1 3.29Å; S290-D294 PolarHBondContact O-N 3.18Å; T291-D294 PolarHBondContact O-N 2.83Å; D294-W296 VanDerWaalsContact C-N 3.34Å; D294-A297 PolarHBondContact O-N 2.78Å; D294-F298 WeakPolarHBondContact O-CB 3.42Å; D294-F298 PolarHBondContact O-N 3.33Å; D294-F359 HydrophobicContact CB-CE2 3.85Å; D294-F359 HydrophobicContact CB-CZ 4.14Å
295	V	93.3	Very high	90.4	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-61.4	-41.9	172	167.6	0	0	0	0	111.5	T291 K292 S293 A297 F298 G299 C348 R356 P357 F359 I362	T291-V295 WeakPolarHBondContact O-CG2 3.08Å; T291-V295 PolarHBondContact O-N 3.05Å; K292-V295 PolarHBondContact O-N 3.43Å; S293-V295 VanDerWaalsContact C-N 3.34Å; V295-A297 PolarHBondContact O-N 2.92Å; V295-F298 WeakPolarHBondContact O-CB 2.93Å; V295-F298 PolarHBondContact O-N 3.16Å; V295-G299 PolarHBondContact O-N 3.39Å; V295-C348 HydrophobicContact CG1-CB 4.05Å; V295-C348 WeakPolarHBondContact O-CB 3.19Å; V295-R356 HydrophobicContact CG1-CB 3.91Å; V295-P357 HydrophobicContact CG1-CG 4.39Å; V295-P357 WeakPolarHBondContact CG2-O 3.15Å; V295-F359 HydrophobicContact CB-CE2 4.31Å; V295-F359 HydrophobicContact CG2-CD2 3.54Å; V295-F359 HydrophobicContact CG2-CE2 3.42Å; V295-F359 VanDerWaalsContact CG2-CE2 3.42Å; V295-F359 HydrophobicContact CG2-CG 4.23Å; V295-F359 HydrophobicContact CG2-CZ 3.99Å; V295-I362 HydrophobicContact CG1-CD1 3.89Å; V295-I362 HydrophobicContact CG2-CD1 4.17Å
296	W	96.5	Very high	89.7	Confident	1 Å²	1	18.6 Å²	18.6	0%	0.004	9%	0.089	C	C	.	.	H	α-helix	trans	-59.5	-47.6	173.6	177.1	-76.6	0	0	0	111.4	T279 A280 P281 K292 S293 D294 F298 G299 V300 L325 C348 W349	T279-W296 PolarHBondContact O-NE1 3.5Å; A280-W296 HydrophobicContact CB-CB 3.71Å; A280-W296 HydrophobicContact CB-CD2 4.03Å; A280-W296 HydrophobicContact CB-CE3 4.49Å; A280-W296 HydrophobicContact CB-CG 3.65Å; P281-W296 HydrophobicContact CG-CE3 4.39Å; P281-W296 HydrophobicContact CG-CH2 3.69Å; P281-W296 HydrophobicContact CG-CZ2 4.2Å; P281-W296 HydrophobicContact CG-CZ3 3.78Å; K292-W296 PolarHBondContact O-N 3.42Å; S293-W296 WeakPolarHBondContact O-CB 3.46Å; S293-W296 PolarHBondContact O-N 2.62Å; D294-W296 VanDerWaalsContact C-N 3.34Å; W296-F298 VanDerWaalsContact C-N 3.28Å; W296-F298 PolarHBondContact O-N 3.08Å; W296-G299 WeakPolarHBondContact O-CA 2.95Å; W296-G299 PolarHBondContact O-N 3.08Å; W296-G299 VanDerWaalsContact O-N 3.08Å; W296-V300 PolarHBondContact O-N 3.49Å; W296-V300 VanDerWaalsContact O-N 3.1Å; W296-L325 HydrophobicContact CH2-CD1 4.12Å; W296-L325 HydrophobicContact CH2-CD2 3.85Å; W296-L325 HydrophobicContact CH2-CG 4.46Å; W296-L325 HydrophobicContact CZ2-CD1 3.62Å; W296-L325 HydrophobicContact CZ2-CD2 3.72Å; W296-L325 HydrophobicContact CZ2-CG 4.27Å; W296-C348 WeakPolarHBondContact CA-O 3.33Å; W296-W349 AromaticContact CD2-CD1 3.83Å; W296-W349 AromaticContact CE2-CD1 3.94Å; W296-W349 HydrophobicContact CE3-CB 4.15Å; W296-W349 HydrophobicContact CH2-CB 4.12Å; W296-W349 HydrophobicContact CZ3-CB 3.89Å; W296-W349 WeakPolarHBondContact CZ3-O 3.2Å; W296-W349 PolarHBondContact O-NE1 3.39Å
297	A	94.2	Very high	89.2	Confident	4 Å²	4	11.7 Å²	11.7	3%	0.033	6%	0.064	C	C	.	.	H	α-helix	trans	-61.6	-36.1	176.8	0	0	0	0	0	111.9	L237 W278 S293 D294 V295 V300 L301	L237-A297 HydrophobicContact CB-CB 4Å; W278-A297 WeakPolarHBondContact O-CB 3.48Å; S293-A297 PolarHBondContact O-N 3.31Å; S293-A297 VanDerWaalsContact O-N 3.16Å; D294-A297 PolarHBondContact O-N 2.78Å; V295-A297 PolarHBondContact O-N 2.92Å; A297-V300 PolarHBondContact O-N 3.32Å; A297-L301 WeakPolarHBondContact O-CB 3.19Å; A297-L301 PolarHBondContact O-N 2.79Å
298	F	91.6	Very high	88.6	Confident	7 Å²	7	14 Å²	14	3%	0.031	7%	0.071	C	C	.	.	H	α-helix	trans	-63.7	-38.4	172.1	-174.5	-98.2	0	0	0	112.3	F217 L221 L237 D294 V295 W296 V300 L301 L302 F359 I362 L366	F217-F298 HydrophobicContact CD1-CE2 4.41Å; F217-F298 HydrophobicContact CE1-CE2 4.34Å; L221-F298 HydrophobicContact CB-CD2 4.48Å; L221-F298 HydrophobicContact CB-CE2 4.3Å; L221-F298 HydrophobicContact CD1-CD2 4.27Å; L221-F298 HydrophobicContact CD1-CE2 4.26Å; L221-F298 HydrophobicContact CD2-CD2 4.26Å; L237-F298 HydrophobicContact CD2-CB 3.75Å; L237-F298 HydrophobicContact CD2-CD2 4.14Å; L237-F298 HydrophobicContact CD2-CG 4.46Å; D294-F298 WeakPolarHBondContact O-CB 3.42Å; D294-F298 PolarHBondContact O-N 3.33Å; V295-F298 WeakPolarHBondContact O-CB 2.93Å; V295-F298 PolarHBondContact O-N 3.16Å; W296-F298 VanDerWaalsContact C-N 3.28Å; W296-F298 PolarHBondContact O-N 3.08Å; F298-V300 VanDerWaalsContact C-N 3.34Å; F298-V300 PolarHBondContact O-N 3.46Å; F298-L301 HydrophobicContact CD2-CD2 4Å; F298-L301 HydrophobicContact CE2-CD2 4.33Å; F298-L301 WeakPolarHBondContact O-CB 3.24Å; F298-L301 PolarHBondContact O-N 3.37Å; F298-L302 HydrophobicContact CD1-CD1 4.08Å; F298-L302 HydrophobicContact CD1-CG 4.08Å; F298-L302 HydrophobicContact CE1-CD1 3.67Å; F298-L302 HydrophobicContact CE1-CD2 3.89Å; F298-L302 HydrophobicContact CE1-CG 3.68Å; F298-L302 HydrophobicContact CZ-CD1 4.5Å; F298-L302 HydrophobicContact CZ-CD2 3.89Å; F298-L302 HydrophobicContact CZ-CG 4.12Å; F298-L302 WeakPolarHBondContact O-CG 3.15Å; F298-L302 PolarHBondContact O-N 3.37Å; F298-F359 HydrophobicContact CB-CE1 3.81Å; F298-F359 HydrophobicContact CB-CZ 3.89Å; F298-F359 HydrophobicContact CD1-CE1 4.4Å; F298-F359 AromaticContact CD2-CE1 3.98Å; F298-F359 HydrophobicContact CD2-CE1 3.98Å; F298-F359 AromaticContact CG-CE1 3.8Å; F298-F359 HydrophobicContact CG-CE1 3.8Å; F298-F359 HydrophobicContact CG-CZ 4.39Å; F298-I362 HydrophobicContact CD1-CD1 4.16Å; F298-I362 HydrophobicContact CD1-CG2 3.98Å; F298-I362 HydrophobicContact CE1-CG2 3.38Å; F298-I362 HydrophobicContact CZ-CG2 4.08Å; F298-L366 HydrophobicContact CE1-CD1 4.29Å; F298-L366 HydrophobicContact CZ-CD1 4.16Å
299	G	95	Very high	88.1	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.2	-42.6	171.2	0	0	0	0	0	112.4	V295 W296 L302 W303 W349	V295-G299 PolarHBondContact O-N 3.39Å; W296-G299 WeakPolarHBondContact O-CA 2.95Å; W296-G299 PolarHBondContact O-N 3.08Å; W296-G299 VanDerWaalsContact O-N 3.08Å; G299-L302 PolarHBondContact O-N 3.29Å; G299-W303 PolarHBondContact O-N 3.41Å; G299-W303 VanDerWaalsContact O-N 3.15Å; G299-W349 VanDerWaalsContact C-CZ2 3.46Å; G299-W349 WeakPolarHBondContact O-CZ2 3.42Å
300	V	95.3	Very high	87.9	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.4	-42.2	175	-178.3	0	0	0	0	111.1	W278 W296 A297 F298 W303 E304 P312 M331 W349	W278-V300 VanDerWaalsContact CD1-CG1 3.5Å; W278-V300 HydrophobicContact CD2-CG1 4.31Å; W278-V300 HydrophobicContact CG-CB 4.43Å; W278-V300 HydrophobicContact CG-CG1 3.93Å; W296-V300 PolarHBondContact O-N 3.49Å; W296-V300 VanDerWaalsContact O-N 3.1Å; A297-V300 PolarHBondContact O-N 3.32Å; F298-V300 VanDerWaalsContact C-N 3.34Å; F298-V300 PolarHBondContact O-N 3.46Å; V300-W303 WeakPolarHBondContact O-CB 3.3Å; V300-W303 PolarHBondContact O-N 2.89Å; V300-W303 VanDerWaalsContact O-N 3.15Å; V300-E304 PolarHBondContact O-N 2.74Å; V300-P312 HydrophobicContact CG1-CB 3.78Å; V300-P312 HydrophobicContact CG1-CG 3.5Å; V300-P312 VanDerWaalsContact CG1-CG 3.5Å; V300-M331 HydrophobicContact CG1-CE 4.36Å; V300-M331 HydrophobicContact CG2-CE 4.4Å; V300-W349 HydrophobicContact CG2-CZ2 4.45Å
301	L	89.1	Confident	88	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.1	-44.3	172.9	168.3	62.8	0	0	0	112.1	F217 L237 A239 A297 F298 W303 E304 I305	F217-L301 HydrophobicContact CE1-CD2 4.14Å; F217-L301 HydrophobicContact CE2-CD1 4.17Å; F217-L301 HydrophobicContact CE2-CD2 4.3Å; F217-L301 HydrophobicContact CZ-CD1 4.43Å; F217-L301 HydrophobicContact CZ-CD2 3.76Å; F217-L301 HydrophobicContact CZ-CG 4.46Å; L237-L301 HydrophobicContact CD1-CD2 3.96Å; L237-L301 HydrophobicContact CG-CD2 4.09Å; A239-L301 HydrophobicContact CB-CD1 3.84Å; A297-L301 WeakPolarHBondContact O-CB 3.19Å; A297-L301 PolarHBondContact O-N 2.79Å; F298-L301 HydrophobicContact CD2-CD2 4Å; F298-L301 HydrophobicContact CE2-CD2 4.33Å; F298-L301 WeakPolarHBondContact O-CB 3.24Å; F298-L301 PolarHBondContact O-N 3.37Å; L301-W303 VanDerWaalsContact C-N 3.26Å; L301-W303 PolarHBondContact O-N 2.83Å; L301-E304 WeakPolarHBondContact O-CB 3.32Å; L301-E304 PolarHBondContact O-N 2.87Å; L301-I305 HydrophobicContact CD1-CD1 3.75Å; L301-I305 HydrophobicContact CD1-CG1 3.92Å; L301-I305 HydrophobicContact CG-CD1 3.82Å; L301-I305 HydrophobicContact CG-CG1 4.46Å; L301-I305 VanDerWaalsContact O-CD1 3.29Å; L301-I305 WeakPolarHBondContact O-CD1 3.33Å; L301-I305 WeakPolarHBondContact O-CG1 3.46Å; L301-I305 PolarHBondContact O-N 3.33Å
302	L	87.7	Confident	88.3	Confident	14 Å²	14	21.9 Å²	21.9	7%	0.073	11%	0.111	C	C	.	.	H	α-helix	trans	-57.1	-40.5	173.9	-73.6	-179	0	0	0	111.8	F298 G299 I305 A306 L344 M345	F298-L302 HydrophobicContact CD1-CD1 4.08Å; F298-L302 HydrophobicContact CD1-CG 4.08Å; F298-L302 HydrophobicContact CE1-CD1 3.67Å; F298-L302 HydrophobicContact CE1-CD2 3.89Å; F298-L302 HydrophobicContact CE1-CG 3.68Å; F298-L302 HydrophobicContact CZ-CD1 4.5Å; F298-L302 HydrophobicContact CZ-CD2 3.89Å; F298-L302 HydrophobicContact CZ-CG 4.12Å; F298-L302 WeakPolarHBondContact O-CG 3.15Å; F298-L302 PolarHBondContact O-N 3.37Å; G299-L302 PolarHBondContact O-N 3.29Å; L302-I305 PolarHBondContact O-N 2.86Å; L302-A306 VanDerWaalsContact O-CB 3.31Å; L302-A306 WeakPolarHBondContact O-CB 3.21Å; L302-A306 PolarHBondContact O-N 3.42Å; L302-L344 HydrophobicContact CD1-CD2 4.3Å; L302-L344 HydrophobicContact CD1-CG 4.45Å; L302-M345 HydrophobicContact CB-CE 3.99Å; L302-M345 HydrophobicContact CB-CG 3.88Å; L302-M345 HydrophobicContact CB-SD 4.45Å; L302-M345 HydrophobicContact CD1-CG 4.17Å
303	W	91.4	Very high	88.5	Confident	14 Å²	14	20 Å²	20	5%	0.053	10%	0.102	C	C	.	.	H	α-helix	trans	-68.8	-40.3	175.6	-169.9	98.3	0	0	0	112.6	G299 V300 L301 I305 A306 T307 K310 P314 M331 E332 P334 M345 W349	G299-W303 PolarHBondContact O-N 3.41Å; G299-W303 VanDerWaalsContact O-N 3.15Å; V300-W303 WeakPolarHBondContact O-CB 3.3Å; V300-W303 PolarHBondContact O-N 2.89Å; V300-W303 VanDerWaalsContact O-N 3.15Å; L301-W303 VanDerWaalsContact C-N 3.26Å; L301-W303 PolarHBondContact O-N 2.83Å; W303-I305 VanDerWaalsContact C-N 3.35Å; W303-I305 PolarHBondContact O-N 3.27Å; W303-A306 PolarHBondContact O-N 3.31Å; W303-T307 HydrophobicContact CD2-CG2 3.85Å; W303-T307 HydrophobicContact CE3-CG2 3.93Å; W303-T307 HydrophobicContact CH2-CG2 3.85Å; W303-T307 HydrophobicContact CZ2-CG2 3.76Å; W303-T307 HydrophobicContact CZ3-CG2 3.92Å; W303-T307 WeakPolarHBondContact O-CB 3.27Å; W303-T307 WeakPolarHBondContact O-CG2 3.5Å; W303-T307 PolarHBondContact O-N 2.64Å; W303-T307 PolarHBondContact O-OG1 3.23Å; W303-K310 HydrophobicContact CH2-CB 4.09Å; W303-K310 HydrophobicContact CZ3-CB 4.01Å; W303-P314 HydrophobicContact CH2-CG 4.3Å; W303-M331 HydrophobicContact CB-CE 3.83Å; W303-M331 HydrophobicContact CD2-CE 3.88Å; W303-M331 HydrophobicContact CD2-SD 3.74Å; W303-M331 HydrophobicContact CE3-CE 4.33Å; W303-M331 HydrophobicContact CE3-SD 4Å; W303-M331 HydrophobicContact CG-CE 3.65Å; W303-M331 HydrophobicContact CG-SD 4.13Å; W303-M331 HydrophobicContact CH2-SD 4.46Å; W303-M331 HydrophobicContact CZ2-SD 4.22Å; W303-M331 HydrophobicContact CZ3-SD 4.37Å; W303-E332 PolarHBondContact NE1-O 3.38Å; W303-P334 HydrophobicContact CG-CG 4.17Å; W303-M345 HydrophobicContact CB-SD 4.13Å; W303-W349 HydrophobicContact CB-CH2 3.98Å; W303-W349 HydrophobicContact CB-CZ2 4.04Å; W303-W349 AromaticContact CD1-CH2 3.94Å; W303-W349 HydrophobicContact CG-CH2 4.22Å
304	E	86.5	Confident	88.5	Confident	11 Å²	11	23.9 Å²	23.9	5%	0.051	13%	0.128	C	C	.	.	H	α-helix	trans	-55.5	-51.2	171.1	-70.6	-175.8	95.4	0	0	110.1	A239 W278 V300 L301 A306 T307 Y308 G309 P312	A239-E304 HydrophobicContact CB-CB 4.12Å; A239-E304 HydrophobicContact CB-CG 4.47Å; A239-E304 WeakPolarHBondContact CB-OE1 3.18Å; A239-E304 WeakPolarHBondContact CB-OE2 3.14Å; A239-E304 PolarHBondContact N-OE2 3.06Å; W278-E304 HydrophobicContact CZ2-CG 4.49Å; W278-E304 WeakPolarHBondContact CZ2-OE1 3.43Å; W278-E304 VanDerWaalsContact NE1-CD 3.35Å; W278-E304 PolarHBondContact NE1-OE2 2.91Å; V300-E304 PolarHBondContact O-N 2.74Å; L301-E304 WeakPolarHBondContact O-CB 3.32Å; L301-E304 PolarHBondContact O-N 2.87Å; E304-A306 PolarHBondContact O-N 3.22Å; E304-T307 PolarHBondContact O-N 3.45Å; E304-T307 PolarHBondContact O-OG1 3.22Å; E304-T307 VanDerWaalsContact O-OG1 3.06Å; E304-Y308 PolarHBondContact O-N 3.36Å; E304-G309 WeakPolarHBondContact O-CA 3.42Å; E304-G309 PolarHBondContact O-N 3.06Å; E304-P312 HydrophobicContact CG-CG 3.9Å
305	I	79.1	Confident	88.6	Confident	9 Å²	9	27.9 Å²	27.9	5%	0.046	17%	0.169	C	C	.	.	H	α-helix	trans	-65	-44.9	-176	-51.9	150	0	0	0	110.5	V215 F217 L301 L302 W303 T307 Y308 F386	V215-I305 WeakPolarHBondContact O-CG2 3.46Å; F217-I305 HydrophobicContact CB-CD1 3.92Å; F217-I305 HydrophobicContact CD1-CD1 4.49Å; F217-I305 HydrophobicContact CD2-CD1 3.26Å; F217-I305 HydrophobicContact CD2-CG1 4.04Å; F217-I305 HydrophobicContact CE2-CD1 3.84Å; F217-I305 HydrophobicContact CG-CD1 3.64Å; L301-I305 HydrophobicContact CD1-CD1 3.75Å; L301-I305 HydrophobicContact CD1-CG1 3.92Å; L301-I305 HydrophobicContact CG-CD1 3.82Å; L301-I305 HydrophobicContact CG-CG1 4.46Å; L301-I305 VanDerWaalsContact O-CD1 3.29Å; L301-I305 WeakPolarHBondContact O-CD1 3.33Å; L301-I305 WeakPolarHBondContact O-CG1 3.46Å; L301-I305 PolarHBondContact O-N 3.33Å; L302-I305 PolarHBondContact O-N 2.86Å; W303-I305 VanDerWaalsContact C-N 3.35Å; W303-I305 PolarHBondContact O-N 3.27Å; I305-T307 PolarHBondContact O-N 2.98Å; I305-Y308 PolarHBondContact O-N 3Å; I305-Y308 VanDerWaalsContact O-N 3.14Å; I305-F386 HydrophobicContact CB-CD1 4.48Å; I305-F386 HydrophobicContact CB-CE1 3.9Å; I305-F386 HydrophobicContact CB-CZ 4.44Å; I305-F386 HydrophobicContact CG2-CD1 3.5Å; I305-F386 VanDerWaalsContact CG2-CD1 3.5Å; I305-F386 HydrophobicContact CG2-CE1 3.28Å; I305-F386 HydrophobicContact CG2-CE2 4.5Å; I305-F386 HydrophobicContact CG2-CG 4.23Å; I305-F386 HydrophobicContact CG2-CZ 3.83Å
306	A	77.5	Confident	88.6	Confident	6 Å²	6	28.8 Å²	28.8	5%	0.05	18%	0.175	C	C	.	.	H	α-helix	trans	-68.2	-13	178.3	0	0	0	0	0	114.3	L302 W303 E304 P334 M345 I385 F386	L302-A306 VanDerWaalsContact O-CB 3.31Å; L302-A306 WeakPolarHBondContact O-CB 3.21Å; L302-A306 PolarHBondContact O-N 3.42Å; W303-A306 PolarHBondContact O-N 3.31Å; E304-A306 PolarHBondContact O-N 3.22Å; A306-P334 HydrophobicContact CB-CB 4.02Å; A306-P334 HydrophobicContact CB-CG 3.92Å; A306-M345 HydrophobicContact CB-CE 3.96Å; A306-I385 HydrophobicContact CB-CG2 4.35Å; A306-F386 HydrophobicContact CB-CE1 4.46Å
307	T	81.3	Confident	88.3	Confident	14 Å²	14	34.6 Å²	34.6	9%	0.086	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	5.7	174.2	56.9	0	0	0	0	113.8	W303 E304 I305 G309 K310 P334	W303-T307 HydrophobicContact CD2-CG2 3.85Å; W303-T307 HydrophobicContact CE3-CG2 3.93Å; W303-T307 HydrophobicContact CH2-CG2 3.85Å; W303-T307 HydrophobicContact CZ2-CG2 3.76Å; W303-T307 HydrophobicContact CZ3-CG2 3.92Å; W303-T307 WeakPolarHBondContact O-CB 3.27Å; W303-T307 WeakPolarHBondContact O-CG2 3.5Å; W303-T307 PolarHBondContact O-N 2.64Å; W303-T307 PolarHBondContact O-OG1 3.23Å; E304-T307 PolarHBondContact O-N 3.45Å; E304-T307 PolarHBondContact O-OG1 3.22Å; E304-T307 VanDerWaalsContact O-OG1 3.06Å; I305-T307 PolarHBondContact O-N 2.98Å; T307-G309 PolarHBondContact O-N 3.02Å; T307-K310 HydrophobicContact CG2-CD 4.46Å; T307-K310 PolarHBondContact OG1-N 3.26Å; T307-P334 HydrophobicContact CG2-CB 3.71Å; T307-P334 HydrophobicContact CG2-CG 3.79Å
308	Y	76.5	Confident	88.1	Confident	85 Å²	85	40.5 Å²	40.5	33%	0.333	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	37.1	-170.8	-55.8	-97.3	0	0	0	112.2	F213 E304 I305 S384 I385 F386 N387 G388	F213-Y308 VanDerWaalsContact CB-O 3.27Å; F213-Y308 WeakPolarHBondContact CB-O 3.33Å; F213-Y308 VanDerWaalsContact CG-O 3.22Å; F213-Y308 WeakPolarHBondContact CG-O 3.31Å; E304-Y308 PolarHBondContact O-N 3.36Å; I305-Y308 PolarHBondContact O-N 3Å; I305-Y308 VanDerWaalsContact O-N 3.14Å; Y308-S384 PolarHBondContact OH-O 3Å; Y308-S384 VanDerWaalsContact OH-O 3.07Å; Y308-I385 WeakPolarHBondContact CE2-O 3.46Å; Y308-I385 VanDerWaalsContact CZ-O 3.24Å; Y308-I385 PolarHBondContact OH-O 3.06Å; Y308-F386 VanDerWaalsContact OH-C 3.29Å; Y308-F386 WeakPolarHBondContact OH-CA 3.48Å; Y308-F386 PolarHBondContact OH-N 3.35Å; Y308-N387 PolarHBondContact OH-N 3.01Å; Y308-G388 PolarHBondContact OH-N 3.01Å
309	G	78.1	Confident	88.1	Confident	18 Å²	18	45.1 Å²	45.1	19%	0.186	26%	0.26	C	S	.	.	S	Bend	trans	80.5	32	171.8	0	0	0	0	0	116.3	E304 T307	E304-G309 WeakPolarHBondContact O-CA 3.42Å; E304-G309 PolarHBondContact O-N 3.06Å; T307-G309 PolarHBondContact O-N 3.02Å
310	K	85.6	Confident	88.1	Confident	136 Å²	136	49.9 Å²	49.9	59%	0.591	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-60.5	149.7	163.7	-66.4	178.7	-171.3	177	0	109	W303 T307 P312	W303-K310 HydrophobicContact CH2-CB 4.09Å; W303-K310 HydrophobicContact CZ3-CB 4.01Å; T307-K310 HydrophobicContact CG2-CD 4.46Å; T307-K310 PolarHBondContact OG1-N 3.26Å; K310-P312 WeakPolarHBondContact O-CD 3.49Å
311	T	88.7	Confident	88.1	Confident	91 Å²	91	50 Å²	50	56%	0.558	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-59.8	127.9	170.7	-49.2	0	0	0	0	109.6
312	P	93.3	Very high	88.4	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.294	C	S	.	.	S	Bend	trans	-54.1	154.3	172.6	-28.7	37	0	0	0	112.4	K277 W278 V300 E304 K310 M331	K277-P312 HydrophobicContact CB-CB 4.34Å; K277-P312 WeakPolarHBondContact CD-O 3.26Å; K277-P312 PolarHBondContact NZ-O 3.1Å; W278-P312 HydrophobicContact CH2-CG 4.18Å; W278-P312 HydrophobicContact CZ2-CG 3.71Å; V300-P312 HydrophobicContact CG1-CB 3.78Å; V300-P312 HydrophobicContact CG1-CG 3.5Å; V300-P312 VanDerWaalsContact CG1-CG 3.5Å; E304-P312 HydrophobicContact CG-CG 3.9Å; K310-P312 WeakPolarHBondContact O-CD 3.49Å; P312-M331 HydrophobicContact CB-CE 4.32Å; P312-M331 HydrophobicContact CB-SD 3.78Å
313	Y	95.2	Very high	88.8	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.008	31%	0.309	C	S	.	.	S	Bend	trans	46.3	63.2	-177.4	-54.3	-93.1	0	0	0	111.1	K277 G315 V316 L325 F329 M331	K277-Y313 HydrophobicContact CB-CD2 4.1Å; K277-Y313 HydrophobicContact CD-CD2 4.41Å; K277-Y313 HydrophobicContact CG-CD2 4.28Å; K277-Y313 PolarHBondContact NZ-O 3.19Å; K277-Y313 WeakPolarHBondContact O-CE2 3.4Å; Y313-G315 PolarHBondContact O-N 2.71Å; Y313-V316 WeakPolarHBondContact O-CB 3.32Å; Y313-V316 PolarHBondContact O-N 2.7Å; Y313-V316 VanDerWaalsContact O-N 3.15Å; Y313-L325 HydrophobicContact CE1-CD2 3.86Å; Y313-F329 HydrophobicContact CD1-CD1 4.39Å; Y313-F329 AromaticContact CD1-CE1 3.99Å; Y313-F329 HydrophobicContact CD1-CE1 3.99Å; Y313-F329 HydrophobicContact CE1-CD1 4.44Å; Y313-F329 HydrophobicContact CE1-CE1 4.34Å; Y313-M331 HydrophobicContact CD1-CG 3.69Å; Y313-M331 HydrophobicContact CD1-SD 4.33Å; Y313-M331 HydrophobicContact CD2-CG 4.23Å; Y313-M331 HydrophobicContact CD2-SD 3.78Å; Y313-M331 HydrophobicContact CE1-CG 3.65Å; Y313-M331 HydrophobicContact CE1-SD 4.38Å; Y313-M331 HydrophobicContact CE2-CE 4Å; Y313-M331 HydrophobicContact CE2-CG 4.19Å; Y313-M331 HydrophobicContact CE2-SD 3.83Å; Y313-M331 HydrophobicContact CG-CG 3.96Å; Y313-M331 HydrophobicContact CG-SD 4.01Å; Y313-M331 PolarHBondContact N-SD 2.79Å
314	P	92	Very high	89	Confident	88 Å²	88	56.7 Å²	56.7	57%	0.571	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	133.4	-175.6	26.1	-34.7	0	0	0	110.6	W303 V316	W303-P314 HydrophobicContact CH2-CG 4.3Å; P314-V316 PolarHBondContact O-N 2.62Å
315	G	92.2	Very high	89.6	Confident	85 Å²	85	56.2 Å²	56.2	88%	0.876	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	-4.2	-177.1	0	0	0	0	0	115.9	Y313	Y313-G315 PolarHBondContact O-N 2.71Å
316	V	93.5	Very high	90.4	Very high	19 Å²	19	60.8 Å²	60.8	12%	0.115	34%	0.337	C	S	.	.			trans	-93.2	128.3	177.9	177.9	0	0	0	0	110.8	K277 Y313 P314 E320 V321 L324	K277-V316 VanDerWaalsContact CE-O 3.3Å; K277-V316 WeakPolarHBondContact CE-O 3.12Å; K277-V316 PolarHBondContact NZ-O 3.2Å; Y313-V316 WeakPolarHBondContact O-CB 3.32Å; Y313-V316 PolarHBondContact O-N 2.7Å; Y313-V316 VanDerWaalsContact O-N 3.15Å; P314-V316 PolarHBondContact O-N 2.62Å; V316-E320 HydrophobicContact CG1-CB 4.12Å; V316-V321 HydrophobicContact CG1-CG2 3.91Å; V316-L324 HydrophobicContact CB-CD1 4.35Å; V316-L324 HydrophobicContact CG1-CD1 3.55Å; V316-L324 HydrophobicContact CG2-CD1 3.8Å
317	E	91.5	Very high	91.3	Very high	124 Å²	124	68.3 Å²	68.3	58%	0.579	37%	0.369	S	S	*	.			trans	-73.9	150.6	174.7	-77.5	-57.1	142.8	0	0	112.5	S319 E320	E317-S319 PolarHBondContact O-N 3.36Å; E317-S319 VanDerWaalsContact O-N 3.16Å; E317-E320 HydrophobicContact CB-CG 4.26Å; E317-E320 PolarHBondContact O-N 2.95Å
318	F	89.8	Confident	92	Very high	127 Å²	127	70 Å²	70	56%	0.557	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-32.5	-174	-64.5	-41.9	0	0	0	113.8	I276 K277 E320	I276-F318 HydrophobicContact CD1-CB 3.91Å; I276-F318 HydrophobicContact CD1-CG 4.39Å; K277-F318 HydrophobicContact CD-CD1 4.26Å; K277-F318 HydrophobicContact CD-CE1 4.02Å; K277-F318 HydrophobicContact CG-CD1 4.11Å; K277-F318 HydrophobicContact CG-CE1 4.16Å; F318-E320 VanDerWaalsContact C-N 3.31Å; F318-E320 PolarHBondContact O-N 3.46Å
319	S	91.5	Very high	93	Very high	104 Å²	104	69.9 Å²	69.9	73%	0.727	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-23.4	177.2	45.9	0	0	0	0	114	E317	E317-S319 PolarHBondContact O-N 3.36Å; E317-S319 VanDerWaalsContact O-N 3.16Å
320	E	94.8	Very high	93.9	Very high	100 Å²	100	71 Å²	71	47%	0.467	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-19.3	-173.4	-59.8	-176.7	149.4	0	0	113	V316 E317 F318 Y322 T323 L324	V316-E320 HydrophobicContact CG1-CB 4.12Å; E317-E320 HydrophobicContact CB-CG 4.26Å; E317-E320 PolarHBondContact O-N 2.95Å; F318-E320 VanDerWaalsContact C-N 3.31Å; F318-E320 PolarHBondContact O-N 3.46Å; E320-Y322 VanDerWaalsContact C-N 3.35Å; E320-Y322 PolarHBondContact O-N 3.21Å; E320-T323 PolarHBondContact O-N 2.64Å; E320-L324 HydrophobicContact CB-CD1 4.41Å; E320-L324 PolarHBondContact O-N 3.05Å
321	V	94.6	Very high	94.4	Very high	2 Å²	2	64.6 Å²	64.6	1%	0.012	36%	0.362	C	S	.	.	H	α-helix	trans	-51.3	-51.2	-174.9	177.1	0	0	0	0	111.4	I276 K277 L284 V316 L324 L325	I276-V321 HydrophobicContact CG2-CB 4.16Å; I276-V321 HydrophobicContact CG2-CG1 4.4Å; I276-V321 HydrophobicContact CG2-CG2 4.21Å; K277-V321 HydrophobicContact CG-CG2 4.15Å; L284-V321 HydrophobicContact CD1-CG1 4.43Å; V316-V321 HydrophobicContact CG1-CG2 3.91Å; V321-L324 PolarHBondContact O-N 3.09Å; V321-L325 HydrophobicContact CG1-CD1 3.84Å; V321-L325 HydrophobicContact CG1-CG 4.35Å; V321-L325 VanDerWaalsContact O-CG 3.23Å; V321-L325 WeakPolarHBondContact O-CG 3.49Å; V321-L325 PolarHBondContact O-N 3.2Å
322	Y	95.6	Very high	94.7	Very high	60 Å²	60	67.8 Å²	67.8	24%	0.235	37%	0.37	C	S	.	.	H	α-helix	trans	-60.8	-49.6	-179	179.9	-90.9	0	0	0	112	P281 L284 A285 E320 L324 L325 E326 W351	P281-Y322 HydrophobicContact CB-CE2 4.47Å; L284-Y322 HydrophobicContact CB-CD2 3.89Å; L284-Y322 HydrophobicContact CD1-CD2 4.16Å; A285-Y322 HydrophobicContact CB-CE2 3.83Å; E320-Y322 VanDerWaalsContact C-N 3.35Å; E320-Y322 PolarHBondContact O-N 3.21Å; Y322-L324 VanDerWaalsContact C-N 3.29Å; Y322-L324 PolarHBondContact O-N 2.74Å; Y322-L325 PolarHBondContact O-N 2.85Å; Y322-L325 VanDerWaalsContact O-N 3.15Å; Y322-E326 HydrophobicContact CE1-CB 4.26Å; Y322-E326 HydrophobicContact CE1-CG 4.44Å; Y322-E326 WeakPolarHBondContact CE1-OE1 3.46Å; Y322-E326 WeakPolarHBondContact O-CB 3.37Å; Y322-E326 PolarHBondContact O-N 2.73Å; Y322-E326 PolarHBondContact OH-OE1 3.38Å; Y322-W351 HydrophobicContact CE2-CH2 4.18Å
323	T	96.2	Very high	94.8	Very high	62 Å²	62	70.5 Å²	70.5	38%	0.38	39%	0.389	S	S	.	.	H	α-helix	trans	-62.8	-33	-179	-56	0	0	0	0	112.9	E320 K327	E320-T323 PolarHBondContact O-N 2.64Å; T323-K327 HydrophobicContact CG2-CD 4.43Å; T323-K327 WeakPolarHBondContact O-CD 3.21Å; T323-K327 VanDerWaalsContact O-CG 3.27Å; T323-K327 WeakPolarHBondContact O-CG 3.32Å; T323-K327 PolarHBondContact O-N 2.8Å
324	L	96.5	Very high	94.5	Very high	48 Å²	48	70.9 Å²	70.9	25%	0.251	39%	0.391	S	S	.	.	H	α-helix	trans	-70.1	-47	172.8	-72.1	172.6	0	0	0	111.3	V316 E320 V321 Y322 E326 K327 G328 F329	V316-L324 HydrophobicContact CB-CD1 4.35Å; V316-L324 HydrophobicContact CG1-CD1 3.55Å; V316-L324 HydrophobicContact CG2-CD1 3.8Å; E320-L324 HydrophobicContact CB-CD1 4.41Å; E320-L324 PolarHBondContact O-N 3.05Å; V321-L324 PolarHBondContact O-N 3.09Å; Y322-L324 VanDerWaalsContact C-N 3.29Å; Y322-L324 PolarHBondContact O-N 2.74Å; L324-E326 VanDerWaalsContact C-N 3.29Å; L324-E326 PolarHBondContact O-N 3.12Å; L324-K327 CarbonylContact O-C 3.57Å; L324-K327 PolarHBondContact O-N 2.94Å; L324-G328 PolarHBondContact O-N 3.46Å; L324-F329 HydrophobicContact CB-CB 3.99Å; L324-F329 HydrophobicContact CB-CD1 4.21Å; L324-F329 HydrophobicContact CB-CG 4.31Å; L324-F329 WeakPolarHBondContact O-CB 3.32Å; L324-F329 PolarHBondContact O-N 2.8Å
325	L	97.2	Very high	94.2	Very high	1 Å²	1	71.8 Å²	71.8	1%	0.005	41%	0.406	C	S	.	.	H	α-helix	trans	-60.5	-38.2	179	-69.4	175.8	0	0	0	112.7	P281 L284 W296 Y313 V321 Y322 G328 F329 R330 W351	P281-L325 HydrophobicContact CG-CD1 4.48Å; L284-L325 HydrophobicContact CD1-CD1 4.26Å; W296-L325 HydrophobicContact CH2-CD1 4.12Å; W296-L325 HydrophobicContact CH2-CD2 3.85Å; W296-L325 HydrophobicContact CH2-CG 4.46Å; W296-L325 HydrophobicContact CZ2-CD1 3.62Å; W296-L325 HydrophobicContact CZ2-CD2 3.72Å; W296-L325 HydrophobicContact CZ2-CG 4.27Å; Y313-L325 HydrophobicContact CE1-CD2 3.86Å; V321-L325 HydrophobicContact CG1-CD1 3.84Å; V321-L325 HydrophobicContact CG1-CG 4.35Å; V321-L325 VanDerWaalsContact O-CG 3.23Å; V321-L325 WeakPolarHBondContact O-CG 3.49Å; V321-L325 PolarHBondContact O-N 3.2Å; Y322-L325 PolarHBondContact O-N 2.85Å; Y322-L325 VanDerWaalsContact O-N 3.15Å; L325-G328 WeakPolarHBondContact O-CA 3.07Å; L325-G328 PolarHBondContact O-N 3.01Å; L325-G328 VanDerWaalsContact O-N 3.08Å; L325-F329 WeakPolarHBondContact CD2-O 3.41Å; L325-R330 PolarHBondContact O-NH1 3.31Å; L325-W351 HydrophobicContact CB-CZ3 4.26Å
326	E	96.5	Very high	93.7	Very high	105 Å²	105	70.8 Å²	70.8	49%	0.491	40%	0.395	S	S	.	.	H	α-helix	trans	-66.6	-37	176.4	-174.5	171.9	-113	0	0	112.2	Y322 L324 G328 W351	Y322-E326 HydrophobicContact CE1-CB 4.26Å; Y322-E326 HydrophobicContact CE1-CG 4.44Å; Y322-E326 WeakPolarHBondContact CE1-OE1 3.46Å; Y322-E326 WeakPolarHBondContact O-CB 3.37Å; Y322-E326 PolarHBondContact O-N 2.73Å; Y322-E326 PolarHBondContact OH-OE1 3.38Å; L324-E326 VanDerWaalsContact C-N 3.29Å; L324-E326 PolarHBondContact O-N 3.12Å; E326-G328 PolarHBondContact O-N 3.08Å; E326-G328 VanDerWaalsContact O-N 3.16Å; E326-W351 HydrophobicContact CB-CH2 3.8Å; E326-W351 HydrophobicContact CB-CZ3 4.15Å; E326-W351 HydrophobicContact CG-CH2 4.06Å
327	K	96.7	Very high	93.1	Very high	163 Å²	163	70.5 Å²	70.5	71%	0.709	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	4.9	169.3	-69.4	170.7	-176.5	176.6	0	113.8	T323 L324	T323-K327 HydrophobicContact CG2-CD 4.43Å; T323-K327 WeakPolarHBondContact O-CD 3.21Å; T323-K327 VanDerWaalsContact O-CG 3.27Å; T323-K327 WeakPolarHBondContact O-CG 3.32Å; T323-K327 PolarHBondContact O-N 2.8Å; L324-K327 CarbonylContact O-C 3.57Å; L324-K327 PolarHBondContact O-N 2.94Å
328	G	96.1	Very high	92.8	Very high	51 Å²	51	66 Å²	66	53%	0.526	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	4	179.3	0	0	0	0	0	115.2	L324 L325 E326	L324-G328 PolarHBondContact O-N 3.46Å; L325-G328 WeakPolarHBondContact O-CA 3.07Å; L325-G328 PolarHBondContact O-N 3.01Å; L325-G328 VanDerWaalsContact O-N 3.08Å; E326-G328 PolarHBondContact O-N 3.08Å; E326-G328 VanDerWaalsContact O-N 3.16Å
329	F	97	Very high	92.7	Very high	81 Å²	81	65.2 Å²	65.2	36%	0.355	38%	0.383	S	S	.	.			trans	-61.2	140.2	176.3	179.4	-94.6	0	0	0	111.1	Y313 L324 L325	Y313-F329 HydrophobicContact CD1-CD1 4.39Å; Y313-F329 AromaticContact CD1-CE1 3.99Å; Y313-F329 HydrophobicContact CD1-CE1 3.99Å; Y313-F329 HydrophobicContact CE1-CD1 4.44Å; Y313-F329 HydrophobicContact CE1-CE1 4.34Å; L324-F329 HydrophobicContact CB-CB 3.99Å; L324-F329 HydrophobicContact CB-CD1 4.21Å; L324-F329 HydrophobicContact CB-CG 4.31Å; L324-F329 WeakPolarHBondContact O-CB 3.32Å; L324-F329 PolarHBondContact O-N 2.8Å; L325-F329 WeakPolarHBondContact CD2-O 3.41Å
330	R	97.2	Very high	92.6	Very high	41 Å²	41	63.1 Å²	63.1	16%	0.155	37%	0.369	C	S	.	.			trans	-136.7	155.7	169.9	-62.5	-62.2	-179.1	-89.3	2.5	108.4	L325 L346 W349	L325-R330 PolarHBondContact O-NH1 3.31Å; R330-L346 HydrophobicContact CB-CD2 4.14Å; R330-L346 HydrophobicContact CG-CD2 4.31Å; R330-W349 HydrophobicContact CB-CE3 4.26Å; R330-W349 PolarHBondContact NE-O 2.84Å; R330-W349 PolarHBondContact NH2-O 2.83Å
331	M	96.3	Very high	92.3	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.015	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-62.9	140.4	178.6	-63.6	-176.7	-70.5	0	0	110.8	V300 W303 P312 Y313 Y342 W349	V300-M331 HydrophobicContact CG1-CE 4.36Å; V300-M331 HydrophobicContact CG2-CE 4.4Å; W303-M331 HydrophobicContact CB-CE 3.83Å; W303-M331 HydrophobicContact CD2-CE 3.88Å; W303-M331 HydrophobicContact CD2-SD 3.74Å; W303-M331 HydrophobicContact CE3-CE 4.33Å; W303-M331 HydrophobicContact CE3-SD 4Å; W303-M331 HydrophobicContact CG-CE 3.65Å; W303-M331 HydrophobicContact CG-SD 4.13Å; W303-M331 HydrophobicContact CH2-SD 4.46Å; W303-M331 HydrophobicContact CZ2-SD 4.22Å; W303-M331 HydrophobicContact CZ3-SD 4.37Å; P312-M331 HydrophobicContact CB-CE 4.32Å; P312-M331 HydrophobicContact CB-SD 3.78Å; Y313-M331 HydrophobicContact CD1-CG 3.69Å; Y313-M331 HydrophobicContact CD1-SD 4.33Å; Y313-M331 HydrophobicContact CD2-CG 4.23Å; Y313-M331 HydrophobicContact CD2-SD 3.78Å; Y313-M331 HydrophobicContact CE1-CG 3.65Å; Y313-M331 HydrophobicContact CE1-SD 4.38Å; Y313-M331 HydrophobicContact CE2-CE 4Å; Y313-M331 HydrophobicContact CE2-CG 4.19Å; Y313-M331 HydrophobicContact CE2-SD 3.83Å; Y313-M331 HydrophobicContact CG-CG 3.96Å; Y313-M331 HydrophobicContact CG-SD 4.01Å; Y313-M331 PolarHBondContact N-SD 2.79Å; M331-Y342 WeakPolarHBondContact O-CE2 3.09Å; M331-Y342 PolarHBondContact O-OH 3.29Å; M331-Y342 VanDerWaalsContact O-OH 3.05Å; M331-W349 HydrophobicContact CB-CH2 4.34Å; M331-W349 HydrophobicContact CE-CH2 3.56Å; M331-W349 HydrophobicContact CE-CZ2 3.36Å
332	E	94.9	Very high	92.3	Very high	158 Å²	158	61.6 Å²	61.6	74%	0.738	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-60.9	155.5	178.3	-60.9	-179.6	165.7	0	0	112.7	W303 P334	W303-E332 PolarHBondContact NE1-O 3.38Å; E332-P334 WeakPolarHBondContact O-CD 3.17Å
333	C	94.8	Very high	92.3	Very high	57 Å²	57	62.4 Å²	62.4	39%	0.385	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-59.9	121.8	175.2	-173.6	0	0	0	0	110.9	Y342	C333-Y342 VanDerWaalsContact CA-CE2 3.44Å; C333-Y342 HydrophobicContact CB-CD1 3.75Å; C333-Y342 HydrophobicContact CB-CD2 3.81Å; C333-Y342 HydrophobicContact CB-CE1 3.81Å; C333-Y342 HydrophobicContact CB-CE2 3.88Å; C333-Y342 HydrophobicContact CB-CG 3.74Å; C333-Y342 VanDerWaalsContact SG-CG 3.6Å
334	P	90.1	Very high	92.1	Very high	10 Å²	10	59.6 Å²	59.6	7%	0.065	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-58.5	141	177.1	-25.9	35.6	0	0	0	112.5	W303 A306 T307 E332 G336 C337	W303-P334 HydrophobicContact CG-CG 4.17Å; A306-P334 HydrophobicContact CB-CB 4.02Å; A306-P334 HydrophobicContact CB-CG 3.92Å; T307-P334 HydrophobicContact CG2-CB 3.71Å; T307-P334 HydrophobicContact CG2-CG 3.79Å; E332-P334 WeakPolarHBondContact O-CD 3.17Å; P334-G336 PolarHBondContact O-N 3.38Å; P334-C337 HydrophobicContact CB-CB 4.05Å; P334-C337 HydrophobicContact CG-CB 4.41Å; P334-C337 WeakPolarHBondContact O-CB 3.43Å; P334-C337 PolarHBondContact O-N 2.93Å
335	A	85.6	Confident	92.1	Very high	107 Å²	107	57.5 Å²	57.5	88%	0.884	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	121.9	178.9	0	0	0	0	0	111.4
336	G	81	Confident	92.1	Very high	63 Å²	63	59.7 Å²	59.7	65%	0.649	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	-10.8	-176.9	0	0	0	0	0	115.4	P334 I385	P334-G336 PolarHBondContact O-N 3.38Å; G336-I385 VanDerWaalsContact O-CD1 3.32Å; G336-I385 WeakPolarHBondContact O-CD1 3.31Å; G336-I385 WeakPolarHBondContact O-CG1 3.29Å
337	C	82	Confident	92.2	Very high	13 Å²	13	58 Å²	58	9%	0.088	34%	0.344	C	S	.	.			trans	-61	136.5	179	-169.6	0	0	0	0	111.8	P334	P334-C337 HydrophobicContact CB-CB 4.05Å; P334-C337 HydrophobicContact CG-CB 4.41Å; P334-C337 WeakPolarHBondContact O-CB 3.43Å; P334-C337 PolarHBondContact O-N 2.93Å
338	P	83.4	Confident	92.2	Very high	29 Å²	29	50.2 Å²	50.2	19%	0.188	31%	0.311	C	S	.	.			trans	-64.8	139.8	175	-16.5	30	0	0	0	110.5	S340 A341 Y342 I385	P338-S340 PolarHBondContact O-N 2.86Å; P338-S340 VanDerWaalsContact O-N 3.14Å; P338-A341 HydrophobicContact CB-CB 4.26Å; P338-A341 HydrophobicContact CG-CB 4.22Å; P338-A341 PolarHBondContact O-N 3.15Å; P338-Y342 PolarHBondContact O-N 3.13Å; P338-I385 VanDerWaalsContact CD-CD1 3.43Å; P338-I385 HydrophobicContact CG-CD1 3.51Å
339	P	89.3	Confident	92.3	Very high	111 Å²	111	47.9 Å²	47.9	72%	0.721	29%	0.286	S	S	*	.	H	α-helix	trans	-53.2	-36.8	175.9	-28.6	35.7	0	0	0	113.6	Y342 E343	P339-Y342 PolarHBondContact O-N 3.4Å; P339-E343 WeakPolarHBondContact O-CB 2.98Å; P339-E343 PolarHBondContact O-N 3.41Å
340	S	88.9	Confident	92.4	Very high	61 Å²	61	49.6 Å²	49.6	43%	0.427	29%	0.29	S	S	.	.	H	α-helix	trans	-66	-35.5	177	56.4	0	0	0	0	113.7	P338 L344 M369	P338-S340 PolarHBondContact O-N 2.86Å; P338-S340 VanDerWaalsContact O-N 3.14Å; S340-L344 PolarHBondContact O-N 3.23Å; S340-L344 VanDerWaalsContact O-N 3.11Å; S340-M369 VanDerWaalsContact CB-SD 3.58Å; S340-M369 PolarHBondContact OG-SD 2.82Å
341	A	87.7	Confident	92.4	Very high	20 Å²	20	53 Å²	53	17%	0.165	30%	0.303	C	S	.	.	H	α-helix	trans	-75.7	-36.3	177.4	0	0	0	0	0	111.3	P338 L344 M345 M369	P338-A341 HydrophobicContact CB-CB 4.26Å; P338-A341 HydrophobicContact CG-CB 4.22Å; P338-A341 PolarHBondContact O-N 3.15Å; A341-L344 WeakPolarHBondContact O-CB 3.17Å; A341-L344 PolarHBondContact O-N 3.14Å; A341-M345 WeakPolarHBondContact O-CG 3.29Å; A341-M345 PolarHBondContact O-N 3.44Å; A341-M345 VanDerWaalsContact O-N 3.07Å; A341-M369 HydrophobicContact CB-SD 4.19Å
342	Y	94.6	Very high	92.4	Very high	49 Å²	49	55 Å²	55	19%	0.192	32%	0.317	C	S	.	.	H	α-helix	trans	-68.7	-38.4	173	-179	-115.7	0	0	0	112.3	M331 C333 P338 P339 L344 M345 L346 W349	M331-Y342 WeakPolarHBondContact O-CE2 3.09Å; M331-Y342 PolarHBondContact O-OH 3.29Å; M331-Y342 VanDerWaalsContact O-OH 3.05Å; C333-Y342 VanDerWaalsContact CA-CE2 3.44Å; C333-Y342 HydrophobicContact CB-CD1 3.75Å; C333-Y342 HydrophobicContact CB-CD2 3.81Å; C333-Y342 HydrophobicContact CB-CE1 3.81Å; C333-Y342 HydrophobicContact CB-CE2 3.88Å; C333-Y342 HydrophobicContact CB-CG 3.74Å; C333-Y342 VanDerWaalsContact SG-CG 3.6Å; P338-Y342 PolarHBondContact O-N 3.13Å; P339-Y342 PolarHBondContact O-N 3.4Å; Y342-L344 VanDerWaalsContact C-N 3.3Å; Y342-L344 PolarHBondContact O-N 3.16Å; Y342-M345 HydrophobicContact CD2-SD 4.06Å; Y342-M345 WeakPolarHBondContact O-CA 3.4Å; Y342-M345 WeakPolarHBondContact O-CB 3.38Å; Y342-M345 PolarHBondContact O-N 3.35Å; Y342-L346 HydrophobicContact CD1-CD1 4.05Å; Y342-L346 HydrophobicContact CD1-CG 4.46Å; Y342-L346 HydrophobicContact CE1-CD1 3.68Å; Y342-L346 HydrophobicContact CE1-CD2 4.43Å; Y342-L346 HydrophobicContact CE1-CG 4.12Å; Y342-L346 HydrophobicContact CE2-CG 4.48Å; Y342-L346 WeakPolarHBondContact O-CG 3.46Å; Y342-L346 PolarHBondContact O-N 3.44Å; Y342-W349 HydrophobicContact CE2-CZ3 4.43Å
343	E	95.8	Very high	92.4	Very high	77 Å²	77	48.9 Å²	48.9	36%	0.36	29%	0.294	S	S	.	.	H	α-helix	trans	-60.3	-39.8	171.4	-179.6	53.7	-145	0	0	111.3	P339 M345 L346 Q347	P339-E343 WeakPolarHBondContact O-CB 2.98Å; P339-E343 PolarHBondContact O-N 3.41Å; E343-M345 VanDerWaalsContact C-N 3.34Å; E343-M345 PolarHBondContact O-N 3.13Å; E343-L346 PolarHBondContact O-N 3.12Å; E343-Q347 WeakPolarHBondContact O-CG 3.26Å; E343-Q347 PolarHBondContact O-N 3.27Å; E343-Q347 PolarHBondContact OE1-NE2 2.82Å
344	L	93.2	Very high	92.4	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-62.4	-36.9	171.8	-176.2	64.6	0	0	0	112.8	L302 S340 A341 Y342 Q347 C348 I362 A365 L366 M369	L302-L344 HydrophobicContact CD1-CD2 4.3Å; L302-L344 HydrophobicContact CD1-CG 4.45Å; S340-L344 PolarHBondContact O-N 3.23Å; S340-L344 VanDerWaalsContact O-N 3.11Å; A341-L344 WeakPolarHBondContact O-CB 3.17Å; A341-L344 PolarHBondContact O-N 3.14Å; Y342-L344 VanDerWaalsContact C-N 3.3Å; Y342-L344 PolarHBondContact O-N 3.16Å; L344-Q347 PolarHBondContact O-N 3.44Å; L344-C348 PolarHBondContact O-N 2.9Å; L344-C348 PolarHBondContact O-SG 3.39Å; L344-I362 HydrophobicContact CD1-CG1 4.29Å; L344-I362 HydrophobicContact CD2-CG2 4.43Å; L344-A365 HydrophobicContact CD1-CB 4.17Å; L344-A365 HydrophobicContact CD2-CB 4.36Å; L344-L366 HydrophobicContact CD2-CD1 4.27Å; L344-L366 HydrophobicContact CD2-CD2 3.7Å; L344-L366 HydrophobicContact CD2-CG 3.69Å; L344-M369 HydrophobicContact CB-CE 4.28Å; L344-M369 HydrophobicContact CD2-CE 3.69Å
345	M	95.9	Very high	92.7	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.02	33%	0.329	C	S	.	.	H	α-helix	trans	-63	-44.8	171.7	-61.5	172.3	-161.2	0	0	111.2	L302 W303 A306 A341 Y342 E343 Q347 C348 W349	L302-M345 HydrophobicContact CB-CE 3.99Å; L302-M345 HydrophobicContact CB-CG 3.88Å; L302-M345 HydrophobicContact CB-SD 4.45Å; L302-M345 HydrophobicContact CD1-CG 4.17Å; W303-M345 HydrophobicContact CB-SD 4.13Å; A306-M345 HydrophobicContact CB-CE 3.96Å; A341-M345 WeakPolarHBondContact O-CG 3.29Å; A341-M345 PolarHBondContact O-N 3.44Å; A341-M345 VanDerWaalsContact O-N 3.07Å; Y342-M345 HydrophobicContact CD2-SD 4.06Å; Y342-M345 WeakPolarHBondContact O-CA 3.4Å; Y342-M345 WeakPolarHBondContact O-CB 3.38Å; Y342-M345 PolarHBondContact O-N 3.35Å; E343-M345 VanDerWaalsContact C-N 3.34Å; E343-M345 PolarHBondContact O-N 3.13Å; M345-Q347 VanDerWaalsContact C-N 3.32Å; M345-Q347 PolarHBondContact O-N 2.83Å; M345-C348 WeakPolarHBondContact O-CB 3.2Å; M345-C348 PolarHBondContact O-N 2.75Å; M345-C348 VanDerWaalsContact O-N 3.11Å; M345-W349 HydrophobicContact CB-CE3 4.18Å; M345-W349 HydrophobicContact CB-CH2 3.78Å; M345-W349 HydrophobicContact CB-CZ2 4.17Å; M345-W349 HydrophobicContact CB-CZ3 3.79Å; M345-W349 HydrophobicContact CG-CH2 4.38Å; M345-W349 VanDerWaalsContact O-CD2 3.28Å; M345-W349 PolarHBondContact O-N 2.82Å; M345-W349 HydrophobicContact SD-CH2 4.18Å
346	L	97.8	Very high	93.3	Very high	46 Å²	46	49.3 Å²	49.3	24%	0.241	29%	0.287	C	S	.	.	H	α-helix	trans	-62.3	-37.5	177	-68.4	174.7	0	0	0	112.3	R330 Y342 E343 W349 R350	R330-L346 HydrophobicContact CB-CD2 4.14Å; R330-L346 HydrophobicContact CG-CD2 4.31Å; Y342-L346 HydrophobicContact CD1-CD1 4.05Å; Y342-L346 HydrophobicContact CD1-CG 4.46Å; Y342-L346 HydrophobicContact CE1-CD1 3.68Å; Y342-L346 HydrophobicContact CE1-CD2 4.43Å; Y342-L346 HydrophobicContact CE1-CG 4.12Å; Y342-L346 HydrophobicContact CE2-CG 4.48Å; Y342-L346 WeakPolarHBondContact O-CG 3.46Å; Y342-L346 PolarHBondContact O-N 3.44Å; E343-L346 PolarHBondContact O-N 3.12Å; L346-W349 HydrophobicContact CD2-CE3 4.3Å; L346-W349 CarbonylContact O-C 3.6Å; L346-W349 PolarHBondContact O-N 3.11Å; L346-R350 PolarHBondContact O-N 2.94Å
347	Q	97.5	Very high	93.9	Very high	70 Å²	70	47 Å²	47	33%	0.327	26%	0.261	S	S	.	.	H	α-helix	trans	-63.3	-41.7	171.4	-70.5	171.9	21.8	0	0	112	E343 L344 M345 W349 R350 P357	E343-Q347 WeakPolarHBondContact O-CG 3.26Å; E343-Q347 PolarHBondContact O-N 3.27Å; E343-Q347 PolarHBondContact OE1-NE2 2.82Å; L344-Q347 PolarHBondContact O-N 3.44Å; M345-Q347 VanDerWaalsContact C-N 3.32Å; M345-Q347 PolarHBondContact O-N 2.83Å; Q347-W349 PolarHBondContact O-N 2.86Å; Q347-R350 WeakPolarHBondContact O-CG 3.31Å; Q347-R350 PolarHBondContact O-N 3.24Å; Q347-P357 HydrophobicContact CB-CG 4.21Å; Q347-P357 VanDerWaalsContact O-CD 3.27Å; Q347-P357 WeakPolarHBondContact O-CD 3.3Å
348	C	97.3	Very high	94.3	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-28.4	173.5	-64.5	0	0	0	0	112.7	V295 W296 L344 M345 R356	V295-C348 HydrophobicContact CG1-CB 4.05Å; V295-C348 WeakPolarHBondContact O-CB 3.19Å; W296-C348 WeakPolarHBondContact CA-O 3.33Å; L344-C348 PolarHBondContact O-N 2.9Å; L344-C348 PolarHBondContact O-SG 3.39Å; M345-C348 WeakPolarHBondContact O-CB 3.2Å; M345-C348 PolarHBondContact O-N 2.75Å; M345-C348 VanDerWaalsContact O-N 3.11Å; C348-R356 WeakPolarHBondContact O-CD 3.22Å
349	W	98.2	Very high	94.2	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.008	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	22.9	179	-53.4	-39.7	0	0	0	115.1	W296 G299 V300 W303 R330 M331 Y342 M345 L346 Q347 W351	W296-W349 AromaticContact CD2-CD1 3.83Å; W296-W349 AromaticContact CE2-CD1 3.94Å; W296-W349 HydrophobicContact CE3-CB 4.15Å; W296-W349 HydrophobicContact CH2-CB 4.12Å; W296-W349 HydrophobicContact CZ3-CB 3.89Å; W296-W349 WeakPolarHBondContact CZ3-O 3.2Å; W296-W349 PolarHBondContact O-NE1 3.39Å; G299-W349 VanDerWaalsContact C-CZ2 3.46Å; G299-W349 WeakPolarHBondContact O-CZ2 3.42Å; V300-W349 HydrophobicContact CG2-CZ2 4.45Å; W303-W349 HydrophobicContact CB-CH2 3.98Å; W303-W349 HydrophobicContact CB-CZ2 4.04Å; W303-W349 AromaticContact CD1-CH2 3.94Å; W303-W349 HydrophobicContact CG-CH2 4.22Å; R330-W349 HydrophobicContact CB-CE3 4.26Å; R330-W349 PolarHBondContact NE-O 2.84Å; R330-W349 PolarHBondContact NH2-O 2.83Å; M331-W349 HydrophobicContact CB-CH2 4.34Å; M331-W349 HydrophobicContact CE-CH2 3.56Å; M331-W349 HydrophobicContact CE-CZ2 3.36Å; Y342-W349 HydrophobicContact CE2-CZ3 4.43Å; M345-W349 HydrophobicContact CB-CE3 4.18Å; M345-W349 HydrophobicContact CB-CH2 3.78Å; M345-W349 HydrophobicContact CB-CZ2 4.17Å; M345-W349 HydrophobicContact CB-CZ3 3.79Å; M345-W349 HydrophobicContact CG-CH2 4.38Å; M345-W349 VanDerWaalsContact O-CD2 3.28Å; M345-W349 PolarHBondContact O-N 2.82Å; M345-W349 HydrophobicContact SD-CH2 4.18Å; L346-W349 HydrophobicContact CD2-CE3 4.3Å; L346-W349 CarbonylContact O-C 3.6Å; L346-W349 PolarHBondContact O-N 3.11Å; Q347-W349 PolarHBondContact O-N 2.86Å; W349-W351 PolarHBondContact O-N 2.94Å
350	R	98.2	Very high	93.8	Very high	117 Å²	117	50.1 Å²	50.1	44%	0.442	26%	0.259	S	S	.	.			trans	-57.2	138.5	167	-66.4	-80	170.6	176	-4.7	109.6	L346 Q347 D355 R356	L346-R350 PolarHBondContact O-N 2.94Å; Q347-R350 WeakPolarHBondContact O-CG 3.31Å; Q347-R350 PolarHBondContact O-N 3.24Å; R350-D355 HydrophobicContact CB-CB 3.83Å; R350-D355 HydrophobicContact CG-CB 4.1Å; R350-R356 HydrophobicContact CB-CG 3.92Å; R350-R356 PolarHBondContact O-NE 2.68Å; R350-R356 PolarHBondContact O-NH2 3.1Å
351	W	97.6	Very high	93.8	Very high	113 Å²	113	52.3 Å²	52.3	43%	0.428	26%	0.262	S	S	.	.	S	Bend	trans	-61.6	-57.8	-175.8	179	-99.3	0	0	0	111	P281 Y322 L325 E326 W349 A353 R356	P281-W351 HydrophobicContact CB-CE3 4.03Å; P281-W351 HydrophobicContact CB-CH2 3.91Å; P281-W351 HydrophobicContact CB-CZ2 4.46Å; P281-W351 HydrophobicContact CB-CZ3 3.66Å; P281-W351 HydrophobicContact CG-CE3 3.8Å; P281-W351 HydrophobicContact CG-CH2 4.49Å; P281-W351 HydrophobicContact CG-CZ3 3.74Å; Y322-W351 HydrophobicContact CE2-CH2 4.18Å; L325-W351 HydrophobicContact CB-CZ3 4.26Å; E326-W351 HydrophobicContact CB-CH2 3.8Å; E326-W351 HydrophobicContact CB-CZ3 4.15Å; E326-W351 HydrophobicContact CG-CH2 4.06Å; W349-W351 PolarHBondContact O-N 2.94Å; W351-A353 PolarHBondContact O-N 2.69Å; W351-R356 PolarHBondContact O-NH2 3.09Å
352	S	96.6	Very high	93.6	Very high	44 Å²	44	51.4 Å²	51.4	31%	0.308	26%	0.255	S	S	.	.	S	Bend	trans	-59.8	130.9	168.8	165.9	0	0	0	0	110.6	A354 D355	S352-A354 VanDerWaalsContact C-N 3.26Å; S352-A354 PolarHBondContact O-N 2.94Å; S352-A354 PolarHBondContact OG-N 2.73Å; S352-D355 VanDerWaalsContact CB-CG 3.43Å; S352-D355 WeakPolarHBondContact CB-OD1 3.43Å; S352-D355 WeakPolarHBondContact CB-OD2 3.41Å; S352-D355 PolarHBondContact O-N 3.04Å; S352-D355 PolarHBondContact OG-OD1 2.68Å
353	A	95.3	Very high	92.7	Very high	30 Å²	30	49.7 Å²	49.7	25%	0.248	25%	0.25	C	C	.	.	S	Bend	trans	-67.8	-26.1	176	0	0	0	0	0	112.8	K292 W351	K292-A353 HydrophobicContact CB-CB 3.9Å; K292-A353 WeakPolarHBondContact CB-O 3.39Å; K292-A353 WeakPolarHBondContact CD-O 3.34Å; K292-A353 VanDerWaalsContact CG-O 3.27Å; K292-A353 WeakPolarHBondContact CG-O 3.38Å; W351-A353 PolarHBondContact O-N 2.69Å
354	A	94.5	Very high	91.9	Very high	77 Å²	77	49.4 Å²	49.4	64%	0.636	25%	0.25	S	C	*	.	S	Bend	trans	-68.2	-40.2	177.9	0	0	0	0	0	111.8	S352 R356	S352-A354 VanDerWaalsContact C-N 3.26Å; S352-A354 PolarHBondContact O-N 2.94Å; S352-A354 PolarHBondContact OG-N 2.73Å; A354-R356 VanDerWaalsContact C-N 3.26Å; A354-R356 PolarHBondContact O-N 2.69Å
355	D	97.2	Very high	91.4	Very high	103 Å²	103	50.4 Å²	50.4	55%	0.551	26%	0.259	S	S	*	.	S	Bend	trans	-73	-14.9	-175.4	-52.7	8.5	0	0	0	113.5	R350 S352	R350-D355 HydrophobicContact CB-CB 3.83Å; R350-D355 HydrophobicContact CG-CB 4.1Å; S352-D355 VanDerWaalsContact CB-CG 3.43Å; S352-D355 WeakPolarHBondContact CB-OD1 3.43Å; S352-D355 WeakPolarHBondContact CB-OD2 3.41Å; S352-D355 PolarHBondContact O-N 3.04Å; S352-D355 PolarHBondContact OG-OD1 2.68Å
356	R	97	Very high	90.5	Very high	3 Å²	3	51.8 Å²	51.8	1%	0.011	27%	0.266	C	S	.	.	S	Bend	trans	-70.7	144.1	175.3	-60.1	173.9	-160.7	153.2	11.4	109	E282 K292 V295 C348 R350 W351 A354	E282-R356 IonicContact OE1-CZ 3.76Å; E282-R356 IonicContact OE1-NH1 3.56Å; E282-R356 PolarHBondContact OE1-NH1 3.45Å; E282-R356 IonicContact OE1-NH2 2.96Å; E282-R356 PolarHBondContact OE1-NH2 3.1Å; E282-R356 IonicContact OE2-CZ 2.84Å; E282-R356 IonicContact OE2-NH1 2.61Å; E282-R356 PolarHBondContact OE2-NH1 3.18Å; E282-R356 IonicContact OE2-NH2 3.23Å; E282-R356 PolarHBondContact OE2-NH2 3.27Å; K292-R356 HydrophobicContact CD-CB 4.42Å; K292-R356 PolarHBondContact NZ-O 3.03Å; K292-R356 WeakPolarHBondContact O-CD 3.43Å; K292-R356 PolarHBondContact O-NH1 2.69Å; V295-R356 HydrophobicContact CG1-CB 3.91Å; C348-R356 WeakPolarHBondContact O-CD 3.22Å; R350-R356 HydrophobicContact CB-CG 3.92Å; R350-R356 PolarHBondContact O-NE 2.68Å; R350-R356 PolarHBondContact O-NH2 3.1Å; W351-R356 PolarHBondContact O-NH2 3.09Å; A354-R356 VanDerWaalsContact C-N 3.26Å; A354-R356 PolarHBondContact O-N 2.69Å
357	P	94.5	Very high	89.2	Confident	15 Å²	15	54.1 Å²	54.1	10%	0.097	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-62.4	159.4	176.1	26.5	-33.6	0	0	0	111.2	V295 Q347 E361 I362	V295-P357 HydrophobicContact CG1-CG 4.39Å; V295-P357 WeakPolarHBondContact CG2-O 3.15Å; Q347-P357 HydrophobicContact CB-CG 4.21Å; Q347-P357 VanDerWaalsContact O-CD 3.27Å; Q347-P357 WeakPolarHBondContact O-CD 3.3Å; P357-E361 HydrophobicContact CB-CB 4.16Å; P357-I362 HydrophobicContact CB-CG1 4.01Å; P357-I362 HydrophobicContact CG-CD1 4.03Å; P357-I362 HydrophobicContact CG-CG1 3.73Å
358	T	89.3	Confident	88.2	Confident	54 Å²	54	56.6 Å²	56.6	33%	0.331	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-75.7	158	164.2	64.6	0	0	0	0	110.3	R360 E361 I362	T358-R360 PolarHBondContact O-N 3.38Å; T358-E361 WeakPolarHBondContact CA-OE2 3.38Å; T358-E361 VanDerWaalsContact CB-OE2 3.24Å; T358-E361 WeakPolarHBondContact CB-OE2 3.21Å; T358-E361 WeakPolarHBondContact CG2-OE2 3.44Å; T358-E361 PolarHBondContact N-OE2 3.16Å; T358-E361 PolarHBondContact O-N 2.72Å; T358-E361 VanDerWaalsContact O-N 3.1Å; T358-E361 VanDerWaalsContact OG1-CD 3.29Å; T358-E361 WeakPolarHBondContact OG1-CG 3.12Å; T358-E361 PolarHBondContact OG1-N 3.34Å; T358-E361 PolarHBondContact OG1-OE2 2.9Å; T358-I362 WeakPolarHBondContact O-CG1 3.36Å; T358-I362 PolarHBondContact O-N 3.04Å
359	F	83	Confident	87	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.018	30%	0.295	C	S	.	.	H	α-helix	trans	-56	-32.3	173.5	-92	-68.7	0	0	0	113.1	L221 A222 I225 L237 D294 V295 F298 I362 S363	L221-F359 HydrophobicContact CB-CD1 4.12Å; L221-F359 HydrophobicContact CB-CE1 4.03Å; L221-F359 HydrophobicContact CD2-CD1 4.21Å; L221-F359 HydrophobicContact CD2-CE1 3.45Å; L221-F359 VanDerWaalsContact CD2-CE1 3.45Å; L221-F359 HydrophobicContact CD2-CZ 3.72Å; L221-F359 HydrophobicContact CG-CE1 4.36Å; A222-F359 WeakPolarHBondContact CA-O 3.34Å; A222-F359 WeakPolarHBondContact CB-O 3.42Å; I225-F359 HydrophobicContact CB-CB 3.98Å; I225-F359 HydrophobicContact CB-CD2 4.04Å; I225-F359 HydrophobicContact CB-CG 4.18Å; I225-F359 HydrophobicContact CD1-CB 4.48Å; I225-F359 HydrophobicContact CD1-CD1 4.24Å; I225-F359 HydrophobicContact CD1-CD2 3.28Å; I225-F359 HydrophobicContact CD1-CE1 4.32Å; I225-F359 HydrophobicContact CD1-CE2 3.35Å; I225-F359 HydrophobicContact CD1-CG 3.74Å; I225-F359 HydrophobicContact CD1-CZ 3.89Å; I225-F359 HydrophobicContact CG1-CD2 4.23Å; I225-F359 HydrophobicContact CG2-CB 4.27Å; I225-F359 HydrophobicContact CG2-CD2 3.89Å; I225-F359 HydrophobicContact CG2-CG 4.42Å; L237-F359 HydrophobicContact CD2-CZ 4.15Å; D294-F359 HydrophobicContact CB-CE2 3.85Å; D294-F359 HydrophobicContact CB-CZ 4.14Å; V295-F359 HydrophobicContact CB-CE2 4.31Å; V295-F359 HydrophobicContact CG2-CD2 3.54Å; V295-F359 HydrophobicContact CG2-CE2 3.42Å; V295-F359 VanDerWaalsContact CG2-CE2 3.42Å; V295-F359 HydrophobicContact CG2-CG 4.23Å; V295-F359 HydrophobicContact CG2-CZ 3.99Å; F298-F359 HydrophobicContact CB-CE1 3.81Å; F298-F359 HydrophobicContact CB-CZ 3.89Å; F298-F359 HydrophobicContact CD1-CE1 4.4Å; F298-F359 AromaticContact CD2-CE1 3.98Å; F298-F359 HydrophobicContact CD2-CE1 3.98Å; F298-F359 AromaticContact CG-CE1 3.8Å; F298-F359 HydrophobicContact CG-CE1 3.8Å; F298-F359 HydrophobicContact CG-CZ 4.39Å; F359-I362 HydrophobicContact CD1-CD1 4.29Å; F359-I362 WeakPolarHBondContact O-CB 3.23Å; F359-S363 PolarHBondContact O-N 2.81Å
360	R	80.1	Confident	85.3	Confident	160 Å²	160	59 Å²	59	60%	0.604	30%	0.301	S	S	*	.	H	α-helix	trans	-68.3	-41.8	173.6	-179.8	174.7	179.9	-129.1	0.1	113.6	S226 T358 I362 S363 I364	S226-R360 WeakPolarHBondContact OG-CB 3.47Å; T358-R360 PolarHBondContact O-N 3.38Å; R360-I362 VanDerWaalsContact C-N 3.31Å; R360-S363 WeakPolarHBondContact O-CA 3.22Å; R360-S363 WeakPolarHBondContact O-CB 3.32Å; R360-S363 PolarHBondContact O-N 2.71Å; R360-I364 HydrophobicContact CG-CD1 4.28Å; R360-I364 WeakPolarHBondContact O-CG1 3.5Å; R360-I364 PolarHBondContact O-N 2.9Å
361	E	88.1	Confident	83.6	Confident	106 Å²	106	57.6 Å²	57.6	50%	0.495	31%	0.309	S	S	.	.	H	α-helix	trans	-65.8	-38	176.1	-70.6	155.2	141	0	0	110.9	P357 T358 S363 I364 A365	P357-E361 HydrophobicContact CB-CB 4.16Å; T358-E361 WeakPolarHBondContact CA-OE2 3.38Å; T358-E361 VanDerWaalsContact CB-OE2 3.24Å; T358-E361 WeakPolarHBondContact CB-OE2 3.21Å; T358-E361 WeakPolarHBondContact CG2-OE2 3.44Å; T358-E361 PolarHBondContact N-OE2 3.16Å; T358-E361 PolarHBondContact O-N 2.72Å; T358-E361 VanDerWaalsContact O-N 3.1Å; T358-E361 VanDerWaalsContact OG1-CD 3.29Å; T358-E361 WeakPolarHBondContact OG1-CG 3.12Å; T358-E361 PolarHBondContact OG1-N 3.34Å; T358-E361 PolarHBondContact OG1-OE2 2.9Å; E361-S363 VanDerWaalsContact C-N 3.25Å; E361-S363 PolarHBondContact O-N 3.24Å; E361-I364 PolarHBondContact O-N 3.2Å; E361-A365 WeakPolarHBondContact O-CB 3.21Å; E361-A365 PolarHBondContact O-N 3.49Å
362	I	85	Confident	81.7	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-59.5	-35	169.7	-64	169.8	0	0	0	111.4	V295 F298 L344 P357 T358 F359 R360 L366	V295-I362 HydrophobicContact CG1-CD1 3.89Å; V295-I362 HydrophobicContact CG2-CD1 4.17Å; F298-I362 HydrophobicContact CD1-CD1 4.16Å; F298-I362 HydrophobicContact CD1-CG2 3.98Å; F298-I362 HydrophobicContact CE1-CG2 3.38Å; F298-I362 HydrophobicContact CZ-CG2 4.08Å; L344-I362 HydrophobicContact CD1-CG1 4.29Å; L344-I362 HydrophobicContact CD2-CG2 4.43Å; P357-I362 HydrophobicContact CB-CG1 4.01Å; P357-I362 HydrophobicContact CG-CD1 4.03Å; P357-I362 HydrophobicContact CG-CG1 3.73Å; T358-I362 WeakPolarHBondContact O-CG1 3.36Å; T358-I362 PolarHBondContact O-N 3.04Å; F359-I362 HydrophobicContact CD1-CD1 4.29Å; F359-I362 WeakPolarHBondContact O-CB 3.23Å; R360-I362 VanDerWaalsContact C-N 3.31Å; I362-L366 HydrophobicContact CG2-CD1 3.78Å; I362-L366 WeakPolarHBondContact O-CB 3.43Å; I362-L366 WeakPolarHBondContact O-CD1 3.24Å; I362-L366 WeakPolarHBondContact O-CG 3.47Å; I362-L366 PolarHBondContact O-N 2.83Å
363	S	75	Confident	79.6	Confident	13 Å²	13	55 Å²	55	9%	0.091	31%	0.314	C	S	.	.	H	α-helix	trans	-55.8	-57.8	172.8	-135.3	0	0	0	0	110.9	V219 A222 F359 R360 E361 A365 L366 E367	V219-S363 VanDerWaalsContact CG1-CA 3.46Å; V219-S363 WeakPolarHBondContact CG1-OG 3.4Å; A222-S363 WeakPolarHBondContact CB-OG 3.3Å; F359-S363 PolarHBondContact O-N 2.81Å; R360-S363 WeakPolarHBondContact O-CA 3.22Å; R360-S363 WeakPolarHBondContact O-CB 3.32Å; R360-S363 PolarHBondContact O-N 2.71Å; E361-S363 VanDerWaalsContact C-N 3.25Å; E361-S363 PolarHBondContact O-N 3.24Å; S363-A365 VanDerWaalsContact C-N 3.35Å; S363-A365 PolarHBondContact O-N 3.37Å; S363-L366 PolarHBondContact O-N 3.26Å; S363-L366 VanDerWaalsContact O-N 3.15Å; S363-E367 WeakPolarHBondContact CB-OE1 3.23Å; S363-E367 WeakPolarHBondContact O-CB 3.23Å; S363-E367 WeakPolarHBondContact O-CG 3.32Å; S363-E367 PolarHBondContact O-N 3.16Å; S363-E367 PolarHBondContact OG-OE1 3.21Å
364	I	79.2	Confident	77.1	Confident	70 Å²	70	57.2 Å²	57.2	36%	0.359	34%	0.341	S	S	.	.	H	α-helix	trans	-64.1	-46.2	-169.4	-65	163.8	0	0	0	108.4	R360 E361 L366 E367 E368	R360-I364 HydrophobicContact CG-CD1 4.28Å; R360-I364 WeakPolarHBondContact O-CG1 3.5Å; R360-I364 PolarHBondContact O-N 2.9Å; E361-I364 PolarHBondContact O-N 3.2Å; I364-L366 VanDerWaalsContact C-N 3.33Å; I364-L366 PolarHBondContact O-N 3.25Å; I364-E367 PolarHBondContact O-N 3.18Å; I364-E368 HydrophobicContact CG2-CG 4.18Å; I364-E368 WeakPolarHBondContact CG2-OE1 3.3Å; I364-E368 VanDerWaalsContact O-CB 3.28Å; I364-E368 WeakPolarHBondContact O-CB 3.24Å; I364-E368 VanDerWaalsContact O-CG 3.25Å; I364-E368 WeakPolarHBondContact O-CG 3.44Å; I364-E368 PolarHBondContact O-N 2.98Å
365	A	82.7	Confident	74.5	Confident	25 Å²	25	57.3 Å²	57.3	21%	0.207	33%	0.33	C	S	.	.	H	α-helix	trans	-57.6	-41.1	176.3	0	0	0	0	0	113.4	L344 E361 S363 M369	L344-A365 HydrophobicContact CD1-CB 4.17Å; L344-A365 HydrophobicContact CD2-CB 4.36Å; E361-A365 WeakPolarHBondContact O-CB 3.21Å; E361-A365 PolarHBondContact O-N 3.49Å; S363-A365 VanDerWaalsContact C-N 3.35Å; S363-A365 PolarHBondContact O-N 3.37Å; A365-M369 HydrophobicContact CB-CE 4.32Å; A365-M369 WeakPolarHBondContact O-CB 3.4Å; A365-M369 VanDerWaalsContact O-CE 3.28Å; A365-M369 WeakPolarHBondContact O-CE 3.49Å; A365-M369 VanDerWaalsContact O-CG 3.27Å; A365-M369 WeakPolarHBondContact O-CG 3.39Å; A365-M369 PolarHBondContact O-N 3.3Å
366	L	76.1	Confident	71.8	Confident	33 Å²	33	54.6 Å²	54.6	17%	0.173	33%	0.327	C	S	.	.	H	α-helix	trans	-76	-33.7	178.8	-69.5	166.4	0	0	0	112.9	V219 F298 L344 I362 S363 I364 M369 S370	V219-L366 HydrophobicContact CB-CB 4.48Å; V219-L366 HydrophobicContact CG1-CB 4.39Å; V219-L366 HydrophobicContact CG2-CB 3.29Å; V219-L366 HydrophobicContact CG2-CD1 3.95Å; V219-L366 HydrophobicContact CG2-CG 4.23Å; F298-L366 HydrophobicContact CE1-CD1 4.29Å; F298-L366 HydrophobicContact CZ-CD1 4.16Å; L344-L366 HydrophobicContact CD2-CD1 4.27Å; L344-L366 HydrophobicContact CD2-CD2 3.7Å; L344-L366 HydrophobicContact CD2-CG 3.69Å; I362-L366 HydrophobicContact CG2-CD1 3.78Å; I362-L366 WeakPolarHBondContact O-CB 3.43Å; I362-L366 WeakPolarHBondContact O-CD1 3.24Å; I362-L366 WeakPolarHBondContact O-CG 3.47Å; I362-L366 PolarHBondContact O-N 2.83Å; S363-L366 PolarHBondContact O-N 3.26Å; S363-L366 VanDerWaalsContact O-N 3.15Å; I364-L366 VanDerWaalsContact C-N 3.33Å; I364-L366 PolarHBondContact O-N 3.25Å; L366-M369 HydrophobicContact CD2-CE 3.9Å; L366-M369 HydrophobicContact CG-CE 4.41Å; L366-S370 WeakPolarHBondContact O-CB 3.41Å; L366-S370 PolarHBondContact O-N 3.19Å; L366-S370 VanDerWaalsContact O-N 3.07Å
367	E	72.1	Confident	68.9	Low	96 Å²	96	57.6 Å²	57.6	45%	0.449	35%	0.349	S	S	.	.	H	α-helix	trans	-69.1	-41.5	173.7	-72.4	164.7	-135.3	0	0	111.6	V219 S363 I364 S370 S371	V219-E367 HydrophobicContact CG1-CG 4.27Å; S363-E367 WeakPolarHBondContact CB-OE1 3.23Å; S363-E367 WeakPolarHBondContact O-CB 3.23Å; S363-E367 WeakPolarHBondContact O-CG 3.32Å; S363-E367 PolarHBondContact O-N 3.16Å; S363-E367 PolarHBondContact OG-OE1 3.21Å; I364-E367 PolarHBondContact O-N 3.18Å; E367-S370 CarbonylContact O-C 3.46Å; E367-S370 PolarHBondContact O-N 2.97Å; E367-S371 WeakPolarHBondContact O-CB 3.27Å; E367-S371 PolarHBondContact O-N 3.49Å; E367-S371 VanDerWaalsContact O-N 3.1Å; E367-S371 PolarHBondContact O-OG 3Å
368	E	76.2	Confident	66	Low	121 Å²	121	59.1 Å²	59.1	57%	0.565	36%	0.357	S	S	*	.	H	α-helix	trans	-65.2	-45.6	173.6	-74.6	175.8	170.8	0	0	111.5	I364 S370 S371 A372	I364-E368 HydrophobicContact CG2-CG 4.18Å; I364-E368 WeakPolarHBondContact CG2-OE1 3.3Å; I364-E368 VanDerWaalsContact O-CB 3.28Å; I364-E368 WeakPolarHBondContact O-CB 3.24Å; I364-E368 VanDerWaalsContact O-CG 3.25Å; I364-E368 WeakPolarHBondContact O-CG 3.44Å; I364-E368 PolarHBondContact O-N 2.98Å; E368-S370 PolarHBondContact O-N 2.96Å; E368-S371 PolarHBondContact O-N 3.02Å; E368-A372 WeakPolarHBondContact O-CB 3.39Å; E368-A372 PolarHBondContact O-N 3.39Å
369	M	72.1	Confident	63.4	Low	33 Å²	33	57.9 Å²	57.9	16%	0.163	35%	0.35	C	S	.	.	H	α-helix	trans	-58	-36.9	172.5	-81.7	-172.4	-90.2	0	0	112.1	S340 A341 L344 A365 L366 S371 A373 I382	S340-M369 VanDerWaalsContact CB-SD 3.58Å; S340-M369 PolarHBondContact OG-SD 2.82Å; A341-M369 HydrophobicContact CB-SD 4.19Å; L344-M369 HydrophobicContact CB-CE 4.28Å; L344-M369 HydrophobicContact CD2-CE 3.69Å; A365-M369 HydrophobicContact CB-CE 4.32Å; A365-M369 WeakPolarHBondContact O-CB 3.4Å; A365-M369 VanDerWaalsContact O-CE 3.28Å; A365-M369 WeakPolarHBondContact O-CE 3.49Å; A365-M369 VanDerWaalsContact O-CG 3.27Å; A365-M369 WeakPolarHBondContact O-CG 3.39Å; A365-M369 PolarHBondContact O-N 3.3Å; L366-M369 HydrophobicContact CD2-CE 3.9Å; L366-M369 HydrophobicContact CG-CE 4.41Å; M369-S371 VanDerWaalsContact C-N 3.27Å; M369-S371 PolarHBondContact O-N 2.7Å; M369-A373 WeakPolarHBondContact O-CB 3.39Å; M369-I382 HydrophobicContact CB-CD1 4.04Å; M369-I382 WeakPolarHBondContact O-CD1 3.36Å
370	S	62.4	Low	61.1	Low	19 Å²	19	61.6 Å²	61.6	13%	0.133	37%	0.373	C	S	.	.	H	α-helix	trans	-73.1	-13.6	173.7	-172.9	0	0	0	0	114.2	L366 E367 E368	L366-S370 WeakPolarHBondContact O-CB 3.41Å; L366-S370 PolarHBondContact O-N 3.19Å; L366-S370 VanDerWaalsContact O-N 3.07Å; E367-S370 CarbonylContact O-C 3.46Å; E367-S370 PolarHBondContact O-N 2.97Å; E368-S370 PolarHBondContact O-N 2.96Å
371	S	60.9	Low	58.8	Low	88 Å²	88	57.7 Å²	57.7	62%	0.615	36%	0.363	S	S	*	.	H	α-helix	trans	-108.1	-38.2	-173.9	-58.1	0	0	0	0	113.1	E367 E368 M369 A373	E367-S371 WeakPolarHBondContact O-CB 3.27Å; E367-S371 PolarHBondContact O-N 3.49Å; E367-S371 VanDerWaalsContact O-N 3.1Å; E367-S371 PolarHBondContact O-OG 3Å; E368-S371 PolarHBondContact O-N 3.02Å; M369-S371 VanDerWaalsContact C-N 3.27Å; M369-S371 PolarHBondContact O-N 2.7Å; S371-A373 PolarHBondContact O-N 2.89Å
372	A	58.1	Low	56.5	Low	95 Å²	95	55 Å²	55	79%	0.785	35%	0.352	S	S	*	.	H	α-helix	trans	-64.3	-23.1	171.4	0	0	0	0	0	112	E368 G374	E368-A372 WeakPolarHBondContact O-CB 3.39Å; E368-A372 PolarHBondContact O-N 3.39Å; A372-G374 PolarHBondContact O-N 3.17Å
373	A	53	Low	54.4	Low	7 Å²	7	57.3 Å²	57.3	6%	0.058	36%	0.364	C	S	.	.			trans	-63.2	43.2	164.4	0	0	0	0	0	113.8	M369 S371 D375 T378	M369-A373 WeakPolarHBondContact O-CB 3.39Å; S371-A373 PolarHBondContact O-N 2.89Å; A373-D375 CarbonylContact O-C 3.56Å; A373-D375 PolarHBondContact O-N 3.49Å; A373-T378 VanDerWaalsContact CB-CB 3.48Å; A373-T378 HydrophobicContact CB-CG2 3.46Å; A373-T378 VanDerWaalsContact CB-CG2 3.46Å
374	G	42.5	Very low	52.6	Low	78 Å²	78	59 Å²	59	80%	0.804	38%	0.376	S	S	*	.			trans	-66.8	2.5	-166	0	0	0	0	0	116.6	A372	A372-G374 PolarHBondContact O-N 3.17Å
375	D	40	Very low	50.6	Low	78 Å²	78	56.5 Å²	56.5	42%	0.417	36%	0.363	S	S	.	.	S	Bend	trans	-106.1	141.6	163	72.1	-28.9	0	0	0	110.2	A373 S377 T378	A373-D375 CarbonylContact O-C 3.56Å; A373-D375 PolarHBondContact O-N 3.49Å; D375-S377 PolarHBondContact O-N 3.05Å; D375-S377 WeakPolarHBondContact OD2-CB 3.41Å; D375-S377 PolarHBondContact OD2-OG 3.41Å; D375-T378 PolarHBondContact O-N 2.94Å; D375-T378 VanDerWaalsContact OD1-CB 3.29Å; D375-T378 WeakPolarHBondContact OD1-CB 3.38Å; D375-T378 PolarHBondContact OD1-N 2.98Å; D375-T378 PolarHBondContact OD1-OG1 3.39Å
376	G	39.9	Very low	48.7	Very low	47 Å²	47	56.5 Å²	56.5	49%	0.485	36%	0.359	S	S	.	.	H	α-helix	trans	-53.8	-22.7	179.6	0	0	0	0	0	113.4	T378 V380	G376-T378 VanDerWaalsContact C-N 3.33Å; G376-T378 PolarHBondContact O-N 2.61Å; G376-V380 WeakPolarHBondContact O-CB 3.44Å; G376-V380 WeakPolarHBondContact O-CG2 3.47Å; G376-V380 PolarHBondContact O-N 3.48Å
377	S	36.3	Very low	46.8	Very low	66 Å²	66	57.6 Å²	57.6	46%	0.462	37%	0.365	S	S	.	.	H	α-helix	trans	-59.2	-33.5	172.3	-26	0	0	0	0	114.3	D375 V380 L381	D375-S377 PolarHBondContact O-N 3.05Å; D375-S377 WeakPolarHBondContact OD2-CB 3.41Å; D375-S377 PolarHBondContact OD2-OG 3.41Å; S377-V380 CarbonylContact O-C 3.53Å; S377-V380 WeakPolarHBondContact O-CA 3.42Å; S377-V380 VanDerWaalsContact O-CB 3.31Å; S377-V380 WeakPolarHBondContact O-CB 3.08Å; S377-V380 PolarHBondContact O-N 3.43Å; S377-L381 PolarHBondContact O-N 2.87Å
378	T	33.3	Very low	44.8	Very low	46 Å²	46	54.8 Å²	54.8	28%	0.282	36%	0.361	S	S	.	.	H	α-helix	trans	-96.7	-28.7	-172.8	-51.3	0	0	0	0	113	A373 D375 G376 V380 L381 I382	A373-T378 VanDerWaalsContact CB-CB 3.48Å; A373-T378 HydrophobicContact CB-CG2 3.46Å; A373-T378 VanDerWaalsContact CB-CG2 3.46Å; D375-T378 PolarHBondContact O-N 2.94Å; D375-T378 VanDerWaalsContact OD1-CB 3.29Å; D375-T378 WeakPolarHBondContact OD1-CB 3.38Å; D375-T378 PolarHBondContact OD1-N 2.98Å; D375-T378 PolarHBondContact OD1-OG1 3.39Å; G376-T378 VanDerWaalsContact C-N 3.33Å; G376-T378 PolarHBondContact O-N 2.61Å; T378-V380 PolarHBondContact O-N 3.14Å; T378-L381 VanDerWaalsContact C-N 3.34Å; T378-L381 HydrophobicContact CG2-CB 4.21Å; T378-L381 HydrophobicContact CG2-CD1 4.19Å; T378-L381 WeakPolarHBondContact O-CA 3.25Å; T378-L381 WeakPolarHBondContact O-CB 3.32Å; T378-L381 PolarHBondContact O-N 3.18Å; T378-I382 PolarHBondContact O-N 2.68Å
379	T	36.1	Very low	42.7	Very low	28 Å²	28	57.9 Å²	57.9	17%	0.172	38%	0.375	C	S	.	.	H	α-helix	trans	-60.8	-39.4	155.3	-48.8	0	0	0	0	108.7	L381 L383	T379-L381 VanDerWaalsContact C-N 3.27Å; T379-L381 PolarHBondContact O-N 2.73Å; T379-L383 HydrophobicContact CG2-CD1 4.12Å; T379-L383 WeakPolarHBondContact O-CB 3.4Å; T379-L383 WeakPolarHBondContact O-CD1 3.49Å; T379-L383 WeakPolarHBondContact O-CG 3.15Å; T379-L383 PolarHBondContact O-N 2.84Å
380	V	34.5	Very low	40.8	Very low	82 Å²	82	60.2 Å²	60.2	50%	0.497	39%	0.392	S	S	.	.	H	α-helix	trans	-64.3	-22.5	167.6	165.2	0	0	0	0	113.1	G376 S377 T378 L383 S384	G376-V380 WeakPolarHBondContact O-CB 3.44Å; G376-V380 WeakPolarHBondContact O-CG2 3.47Å; G376-V380 PolarHBondContact O-N 3.48Å; S377-V380 CarbonylContact O-C 3.53Å; S377-V380 WeakPolarHBondContact O-CA 3.42Å; S377-V380 VanDerWaalsContact O-CB 3.31Å; S377-V380 WeakPolarHBondContact O-CB 3.08Å; S377-V380 PolarHBondContact O-N 3.43Å; T378-V380 PolarHBondContact O-N 3.14Å; V380-L383 CarbonylContact O-C 3.2Å; V380-S384 WeakPolarHBondContact O-CA 3.4Å; V380-S384 WeakPolarHBondContact O-CB 3.29Å; V380-S384 PolarHBondContact O-N 2.91Å; V380-S384 PolarHBondContact O-OG 2.82Å
381	L	31.7	Very low	39.4	Very low	78 Å²	78	64.9 Å²	64.9	41%	0.408	41%	0.414	S	S	.	.	H	α-helix	trans	-76	-51.7	171.6	-89.8	135.3	0	0	0	112	S377 T378 T379 L383 S384 I385	S377-L381 PolarHBondContact O-N 2.87Å; T378-L381 VanDerWaalsContact C-N 3.34Å; T378-L381 HydrophobicContact CG2-CB 4.21Å; T378-L381 HydrophobicContact CG2-CD1 4.19Å; T378-L381 WeakPolarHBondContact O-CA 3.25Å; T378-L381 WeakPolarHBondContact O-CB 3.32Å; T378-L381 PolarHBondContact O-N 3.18Å; T379-L381 VanDerWaalsContact C-N 3.27Å; T379-L381 PolarHBondContact O-N 2.73Å; L381-L383 PolarHBondContact O-N 3.32Å; L381-L383 VanDerWaalsContact O-N 3.16Å; L381-S384 WeakPolarHBondContact CA-OG 3.34Å; L381-S384 CarbonylContact O-C 3.58Å; L381-S384 PolarHBondContact O-N 2.83Å; L381-S384 PolarHBondContact O-OG 3.41Å; L381-I385 HydrophobicContact CB-CD1 4.21Å; L381-I385 HydrophobicContact CD2-CD1 4.16Å; L381-I385 WeakPolarHBondContact O-CB 3.35Å; L381-I385 WeakPolarHBondContact O-CD1 3.42Å; L381-I385 PolarHBondContact O-N 2.87Å
382	I	39.7	Very low	37.8	Very low	49 Å²	49	71.9 Å²	71.9	25%	0.251	43%	0.427	S	S	.	.	H	α-helix	trans	-57.7	-33.2	172	-64.2	175.4	0	0	0	109.6	M369 T378 F386	M369-I382 HydrophobicContact CB-CD1 4.04Å; M369-I382 WeakPolarHBondContact O-CD1 3.36Å; T378-I382 PolarHBondContact O-N 2.68Å; I382-F386 HydrophobicContact CG2-CE2 4.33Å; I382-F386 WeakPolarHBondContact O-CD2 3.41Å
383	L	41.7	Very low	36.5	Very low	52 Å²	52	71.1 Å²	71.1	27%	0.272	42%	0.416	S	S	.	.	H	α-helix	trans	-77.5	-19.2	170.2	-62.2	168.5	0	0	0	114.7	F216 T379 V380 L381 F386 N387	F216-L383 HydrophobicContact CD1-CD2 3.4Å; F216-L383 HydrophobicContact CE1-CB 4.02Å; F216-L383 HydrophobicContact CE1-CD2 3.56Å; F216-L383 HydrophobicContact CE1-CG 4.41Å; F216-L383 VanDerWaalsContact CE1-O 3.28Å; F216-L383 WeakPolarHBondContact CE1-O 3.46Å; T379-L383 HydrophobicContact CG2-CD1 4.12Å; T379-L383 WeakPolarHBondContact O-CB 3.4Å; T379-L383 WeakPolarHBondContact O-CD1 3.49Å; T379-L383 WeakPolarHBondContact O-CG 3.15Å; T379-L383 PolarHBondContact O-N 2.84Å; V380-L383 CarbonylContact O-C 3.2Å; L381-L383 PolarHBondContact O-N 3.32Å; L381-L383 VanDerWaalsContact O-N 3.16Å; L383-F386 CarbonylContact O-C 3.46Å; L383-N387 WeakPolarHBondContact O-CA 3.44Å; L383-N387 WeakPolarHBondContact O-CB 3.46Å; L383-N387 VanDerWaalsContact O-CG 3.25Å; L383-N387 PolarHBondContact O-N 2.91Å; L383-N387 PolarHBondContact O-ND2 3.23Å
384	S	36.3	Very low	35.4	Very low	49 Å²	49	77.3 Å²	77.3	34%	0.343	44%	0.442	S	S	.	.	H	α-helix	trans	-99.2	-25.5	-177.1	74.4	0	0	0	0	113.3	Y308 V380 L381 F386 N387 G388	Y308-S384 PolarHBondContact OH-O 3Å; Y308-S384 VanDerWaalsContact OH-O 3.07Å; V380-S384 WeakPolarHBondContact O-CA 3.4Å; V380-S384 WeakPolarHBondContact O-CB 3.29Å; V380-S384 PolarHBondContact O-N 2.91Å; V380-S384 PolarHBondContact O-OG 2.82Å; L381-S384 WeakPolarHBondContact CA-OG 3.34Å; L381-S384 CarbonylContact O-C 3.58Å; L381-S384 PolarHBondContact O-N 2.83Å; L381-S384 PolarHBondContact O-OG 3.41Å; S384-F386 PolarHBondContact O-N 3.14Å; S384-N387 CarbonylContact O-C 3.6Å; S384-N387 PolarHBondContact O-N 2.81Å; S384-N387 VanDerWaalsContact O-N 3.15Å; S384-G388 PolarHBondContact O-N 3.24Å
385	I	37	Very low	34.8	Very low	17 Å²	17	78.8 Å²	78.8	9%	0.087	44%	0.44	C	S	.	.	S	Bend	trans	-56.7	-19.3	156.7	-75.9	121.2	0	0	0	110.9	A306 Y308 G336 P338 L381	A306-I385 HydrophobicContact CB-CG2 4.35Å; Y308-I385 WeakPolarHBondContact CE2-O 3.46Å; Y308-I385 VanDerWaalsContact CZ-O 3.24Å; Y308-I385 PolarHBondContact OH-O 3.06Å; G336-I385 VanDerWaalsContact O-CD1 3.32Å; G336-I385 WeakPolarHBondContact O-CD1 3.31Å; G336-I385 WeakPolarHBondContact O-CG1 3.29Å; P338-I385 VanDerWaalsContact CD-CD1 3.43Å; P338-I385 HydrophobicContact CG-CD1 3.51Å; L381-I385 HydrophobicContact CB-CD1 4.21Å; L381-I385 HydrophobicContact CD2-CD1 4.16Å; L381-I385 WeakPolarHBondContact O-CB 3.35Å; L381-I385 WeakPolarHBondContact O-CD1 3.42Å; L381-I385 PolarHBondContact O-N 2.87Å
386	F	42.3	Very low	34.2	Very low	25 Å²	25	79.3 Å²	79.3	11%	0.11	46%	0.455	C	S	.	.	S	Bend	trans	-115.8	-3.3	170.2	-52.7	-39.4	0	0	0	115.1	F216 I305 A306 Y308 I382 L383 S384	F216-F386 HydrophobicContact CD1-CB 3.92Å; F216-F386 HydrophobicContact CD1-CD2 4.21Å; F216-F386 HydrophobicContact CE1-CB 3.42Å; F216-F386 VanDerWaalsContact CE1-CB 3.42Å; F216-F386 HydrophobicContact CE1-CD2 4.4Å; F216-F386 HydrophobicContact CE1-CG 4.43Å; F216-F386 HydrophobicContact CE2-CB 4.27Å; F216-F386 VanDerWaalsContact CZ-C 3.48Å; F216-F386 HydrophobicContact CZ-CB 3.56Å; F216-F386 WeakPolarHBondContact CZ-O 3.41Å; I305-F386 HydrophobicContact CB-CD1 4.48Å; I305-F386 HydrophobicContact CB-CE1 3.9Å; I305-F386 HydrophobicContact CB-CZ 4.44Å; I305-F386 HydrophobicContact CG2-CD1 3.5Å; I305-F386 VanDerWaalsContact CG2-CD1 3.5Å; I305-F386 HydrophobicContact CG2-CE1 3.28Å; I305-F386 HydrophobicContact CG2-CE2 4.5Å; I305-F386 HydrophobicContact CG2-CG 4.23Å; I305-F386 HydrophobicContact CG2-CZ 3.83Å; A306-F386 HydrophobicContact CB-CE1 4.46Å; Y308-F386 VanDerWaalsContact OH-C 3.29Å; Y308-F386 WeakPolarHBondContact OH-CA 3.48Å; Y308-F386 PolarHBondContact OH-N 3.35Å; I382-F386 HydrophobicContact CG2-CE2 4.33Å; I382-F386 WeakPolarHBondContact O-CD2 3.41Å; L383-F386 CarbonylContact O-C 3.46Å; S384-F386 PolarHBondContact O-N 3.14Å
387	N	37.1	Very low	33.4	Very low	56 Å²	56	85.9 Å²	85.9	30%	0.299	47%	0.467	S	S	.	.			trans	-121.4	45.7	178.3	-82.3	-57.9	0	0	0	112.2	F216 Y308 L383 S384 E389 L391	F216-N387 WeakPolarHBondContact CE1-ND2 3.17Å; F216-N387 HydrophobicContact CZ-CB 4.21Å; F216-N387 WeakPolarHBondContact CZ-ND2 3.36Å; F216-N387 WeakPolarHBondContact CZ-OD1 3.3Å; Y308-N387 PolarHBondContact OH-N 3.01Å; L383-N387 WeakPolarHBondContact O-CA 3.44Å; L383-N387 WeakPolarHBondContact O-CB 3.46Å; L383-N387 VanDerWaalsContact O-CG 3.25Å; L383-N387 PolarHBondContact O-N 2.91Å; L383-N387 PolarHBondContact O-ND2 3.23Å; S384-N387 CarbonylContact O-C 3.6Å; S384-N387 PolarHBondContact O-N 2.81Å; S384-N387 VanDerWaalsContact O-N 3.15Å; N387-E389 PolarHBondContact O-N 2.9Å; N387-L391 VanDerWaalsContact OD1-CD1 3.22Å; N387-L391 WeakPolarHBondContact OD1-CD1 3.29Å
388	G	30.2	Very low	32.7	Very low	36 Å²	36	93.5 Å²	93.5	37%	0.371	49%	0.485	S	S	.	.	S	Bend	trans	-59	101	166.3	0	0	0	0	0	111	Y308 S384 V390	Y308-G388 PolarHBondContact OH-N 3.01Å; S384-G388 PolarHBondContact O-N 3.24Å; G388-V390 WeakPolarHBondContact O-CG2 3.45Å; G388-V390 PolarHBondContact O-N 2.88Å
389	E	31.4	Very low	32.4	Very low	186 Å²	186	96.7 Å²	96.7	87%	0.869	51%	0.507	S	S	*	.	S	Bend	trans	57.1	-17.5	166.3	-57.1	-164.1	131.6	0	0	120.6	N387 L391	N387-E389 PolarHBondContact O-N 2.9Å; E389-L391 PolarHBondContact O-N 3.42Å
390	V	33.4	Very low	32	Very low	83 Å²	83	100.1 Å²	100.1	50%	0.503	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-70.8	-24.9	-165.6	173.1	0	0	0	0	115.6	G388 R392 S393 F394	G388-V390 WeakPolarHBondContact O-CG2 3.45Å; G388-V390 PolarHBondContact O-N 2.88Å; V390-R392 VanDerWaalsContact C-N 3.29Å; V390-R392 PolarHBondContact O-N 3.31Å; V390-S393 PolarHBondContact O-N 2.75Å; V390-S393 PolarHBondContact O-OG 2.81Å; V390-S393 VanDerWaalsContact O-OG 3.06Å; V390-F394 HydrophobicContact CG1-CD2 3.55Å; V390-F394 HydrophobicContact CG1-CE2 3.51Å
391	L	31.5	Very low	31.7	Very low	117 Å²	117	104.2 Å²	104.2	61%	0.613	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-73.2	-9.7	-174.4	-74.8	178.9	0	0	0	115.7	N387 E389	N387-L391 VanDerWaalsContact OD1-CD1 3.22Å; N387-L391 WeakPolarHBondContact OD1-CD1 3.29Å; E389-L391 PolarHBondContact O-N 3.42Å
392	R	28.5	Very low	31.5	Very low	234 Å²	234	111.6 Å²	111.6	88%	0.883	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-83.9	-20.7	175.2	-80.2	-173.3	173.7	173.7	-0.4	114.3	V390	V390-R392 VanDerWaalsContact C-N 3.29Å; V390-R392 PolarHBondContact O-N 3.31Å
393	S	29.6	Very low	31.1	Very low	79 Å²	79	117.4 Å²	117.4	55%	0.552	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-22.9	179.5	37.6	0	0	0	0	113.6	V390	V390-S393 PolarHBondContact O-N 2.75Å; V390-S393 PolarHBondContact O-OG 2.81Å; V390-S393 VanDerWaalsContact O-OG 3.06Å
394	F	30.3	Very low	30.6	Very low	137 Å²	137	127 Å²	127	60%	0.601	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-78.8	-15.8	-176.5	-91.6	-88.2	0	0	0	115.9	V390 A396 Y397	V390-F394 HydrophobicContact CG1-CD2 3.55Å; V390-F394 HydrophobicContact CG1-CE2 3.51Å; F394-A396 PolarHBondContact O-N 3.35Å; F394-Y397 PolarHBondContact O-N 3.24Å
395	S	29.9	Very low	30.3	Very low	109 Å²	109	128.3 Å²	128.3	76%	0.762	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-68.7	-12.7	175.3	68.9	0	0	0	0	113.7
396	A	27.2	Very low	30	Very low	89 Å²	89	137.1 Å²	137.1	74%	0.736	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-83.5	-16.3	177	0	0	0	0	0	114.1	F394 R398	F394-A396 PolarHBondContact O-N 3.35Å; A396-R398 PolarHBondContact O-N 3.14Å
397	Y	22.8	Very low	29.4	Very low	186 Å²	186	139.3 Å²	139.3	73%	0.729	73%	0.729	S	S	*	*			trans	-93.5	80.7	-177.5	-155.3	-95.2	0	0	0	112	F394 P399	F394-Y397 PolarHBondContact O-N 3.24Å; Y397-P399 WeakPolarHBondContact O-CD 3.46Å
398	R	23.1	Very low	28.9	Very low	225 Å²	225	142.1 Å²	142.1	85%	0.849	75%	0.753	S	S	*	*			trans	-81.6	121.1	159.6	-76.6	-172.9	174.6	-171.3	-1.2	109	A396 S400	A396-R398 PolarHBondContact O-N 3.14Å; R398-S400 PolarHBondContact O-N 2.91Å; R398-S400 VanDerWaalsContact O-N 3.08Å
399	P	26.5	Very low	28.7	Very low	113 Å²	113	144.9 Å²	144.9	73%	0.734	77%	0.772	S	S	*	*			trans	-60.5	113.3	162	-17.8	31.7	0	0	0	108.1	Y397	Y397-P399 WeakPolarHBondContact O-CD 3.46Å
400	S	28.1	Very low	28.4	Very low	100 Å²	100	146.1 Å²	146.1	70%	0.699	78%	0.775	S	S	*	*			trans	-74.9	126.8	-177.2	52.6	0	0	0	0	111.3	R398 R402	R398-S400 PolarHBondContact O-N 2.91Å; R398-S400 VanDerWaalsContact O-N 3.08Å; S400-R402 PolarHBondContact O-N 2.7Å
401	D	26.5	Very low	28	Very low	169 Å²	169	149.3 Å²	149.3	90%	0.904	79%	0.789	S	S	*	*			trans	-54.1	99.6	168.6	-88.5	-52.3	0	0	0	111.8
402	R	29.4	Very low	27.7	Very low	233 Å²	233	148.4 Å²	148.4	88%	0.879	79%	0.793	S	S	*	*			trans	-145.8	89	162	-73.9	-161.7	175	-175.6	-0.7	111.4	S400	S400-R402 PolarHBondContact O-N 2.7Å
403	N	30.3	Very low	27.5	Very low	171 Å²	171	144.3 Å²	144.3	91%	0.914	79%	0.788	S	S	*	*			trans	-136.5	65.3	158.3	-138.2	-6.3	0	0	0	111.5
404	R	30.3	Very low	27.3	Very low	253 Å²	253	147.4 Å²	147.4	96%	0.955	80%	0.804	S	S	*	*			trans	-147.5	123.1	160.3	-78.7	-170.1	179.7	177.4	1.1	107.6
405	G	30	Very low	27	Very low	77 Å²	77	145 Å²	145	79%	0.794	81%	0.809	S	S	*	*			trans	146	105.9	173.4	0	0	0	0	0	113.5
406	H	32.1	Very low	26.6	Very low	202 Å²	202	146.3 Å²	146.3	94%	0.935	81%	0.812	S	S	*	*			trans	-63.2	160.7	166.9	-70.6	-96.7	0	0	0	112.2
407	G	28.6	Very low	26.4	Very low	70 Å²	70	148 Å²	148	72%	0.722	81%	0.813	S	S	*	*			trans	130.6	96.3	143.8	0	0	0	0	0	117.3
408	S	28.2	Very low	26.3	Very low	116 Å²	116	148.7 Å²	148.7	81%	0.811	82%	0.82	S	S	*	*			trans	28.2	112	146.7	59.2	0	0	0	0	121.3
409	A	25.3	Very low	26.5	Very low	93 Å²	93	143.4 Å²	143.4	77%	0.769	82%	0.817	S	S	*	*				44	123.4	123.9	0	0	0	0	0	121.3
410	F	25.7	Very low	26.5	Very low	212 Å²	212	144.1 Å²	144.1	93%	0.93	82%	0.82	S	S	*	*				-157.2	148.2	117.7	-126.9	-93.7	0	0	0	111.1
411	N	24.1	Very low	26.4	Very low	150 Å²	150	145 Å²	145	80%	0.802	83%	0.826	S	S	*	*			trans	-79.2	146.2	179.6	-85.5	-27.2	0	0	0	112.2
412	S	25.9	Very low	26.5	Very low	98 Å²	98	141 Å²	141	69%	0.685	83%	0.825	S	S	*	*				162.6	140.4	107.8	55.3	0	0	0	0	115.9
413	N	23.5	Very low	26.2	Very low	148 Å²	148	135 Å²	135	79%	0.791	82%	0.818	S	S	*	*			trans	73.3	156.1	147.7	-58.7	-21.7	0	0	0	123
414	V	25.2	Very low	26.1	Very low	145 Å²	145	133.1 Å²	133.1	88%	0.879	81%	0.813	S	S	*	*			trans	80.7	131.1	161.9	-167.3	0	0	0	0	117
415	A	24.2	Very low	26	Very low	86 Å²	86	125.8 Å²	125.8	71%	0.711	80%	0.801	S	S	*	*			cis	-163.9	162.2	-24.4	0	0	0	0	0	110.2
416	V	20.7	Very low	25.9	Very low	136 Å²	136	127.3 Å²	127.3	82%	0.824	80%	0.799	S	S	*	*			trans	-93.4	141.2	169.2	171.9	0	0	0	0	109.9
417	V	24.1	Very low	25.8	Very low	126 Å²	126	123.6 Å²	123.6	76%	0.764	80%	0.796	S	S	*	*			trans	-134.5	117.1	162.5	-178.3	0	0	0	0	110.9
418	K	20.9	Very low	25.7	Very low	200 Å²	200	130.3 Å²	130.3	87%	0.87	81%	0.805	S	S	*	*			trans	-98.1	145.4	150.8	-81.5	-179.3	173.6	178.4	0	107.2
419	S	27.3	Very low	25.8	Very low	113 Å²	113	129.9 Å²	129.9	79%	0.79	80%	0.802	S	S	*	*			trans	-146.8	123.8	166.3	56	0	0	0	0	111.7
420	T	25.6	Very low	25.9	Very low	128 Å²	128	135.2 Å²	135.2	79%	0.785	80%	0.803	S	S	*	*			trans	-95	150.4	177.6	43.2	0	0	0	0	111.8
421	S	25.7	Very low	26.1	Very low	119 Å²	119	134 Å²	134	83%	0.832	79%	0.793	S	S	*	*			trans	39	120.1	147.3	61.8	0	0	0	0	120.7
422	G	29	Very low	26.3	Very low	85 Å²	85	134.7 Å²	134.7	88%	0.876	80%	0.796	S	S	*	*			trans	177.5	119	161	0	0	0	0	0	113.2
423	S	23.6	Very low	26.3	Very low	107 Å²	107	140.8 Å²	140.8	75%	0.748	80%	0.804	S	S	*	*			trans	-90.7	150.6	-179.7	47.4	0	0	0	0	112.7
424	T	28.9	Very low	26.7	Very low	131 Å²	131	138.9 Å²	138.9	80%	0.804	80%	0.802	S	S	*	*				168.7	143.9	120.3	36.1	0	0	0	0	115.7
425	S	28.5	Very low	27.1	Very low	100 Å²	100	140.6 Å²	140.6	70%	0.699	80%	0.798	S	S	*	*			trans	48.8	106.4	147.1	61.3	0	0	0	0	124.2
426	S	26.1	Very low	27.2	Very low	108 Å²	108	143.8 Å²	143.8	76%	0.755	80%	0.803	S	S	*	*				42.5	127.3	123.8	65.3	0	0	0	0	123.7
427	S	30.6	Very low	27.7	Very low	124 Å²	124	143.4 Å²	143.4	87%	0.867	81%	0.806	S	S	*	*				-169.3	156.4	116	-86.7	0	0	0	0	114
428	K	25.9	Very low	28	Very low	212 Å²	212	142.7 Å²	142.7	92%	0.922	81%	0.807	S	S	*	*			trans	-112.4	140.9	-175.1	-68.3	169.7	173.6	169.5	0	112.6
429	S	31.4	Very low	28.3	Very low	107 Å²	107	142.7 Å²	142.7	75%	0.748	81%	0.807	S	S	*	*			trans	-179.8	125.7	142	-159.4	0	0	0	0	108.3
430	R	27.8	Very low	28.4	Very low	205 Å²	205	144.7 Å²	144.7	77%	0.774	81%	0.809	S	S	*	*			cis	91	143.7	43.2	-152.5	-159.5	-58.9	-176.8	4.2	113.2
431	Y	28.9	Very low	28.6	Very low	186 Å²	186	147.6 Å²	147.6	73%	0.729	81%	0.814	S	S	*	*			trans	90.4	137.5	178.6	-71.2	-71.9	0	0	0	115.9
432	L	29.4	Very low	28.7	Very low	165 Å²	165	153.4 Å²	153.4	86%	0.864	82%	0.818	S	S	*	*			cis	-143.3	172	15.1	-109.3	156.5	0	0	0	113.3
433	R	24.8	Very low	28.8	Very low	226 Å²	226	154.7 Å²	154.7	85%	0.853	81%	0.813	S	S	*	*			trans	-137.9	147	-176.1	-179.4	-174.6	-175.9	-170.1	3.4	111.8
434	S	32.6	Very low	29.1	Very low	107 Å²	107	154.3 Å²	154.3	75%	0.748	81%	0.81	S	S	*	*			trans	-143.3	105.8	169.1	-178.4	0	0	0	0	109.6
435	K	32.5	Very low	29.1	Very low	181 Å²	181	153.4 Å²	153.4	79%	0.787	81%	0.809	S	S	*	*				55.9	107	100.9	-69.4	-172	176.2	-176.5	0	113.7
436	N	27.8	Very low	29.2	Very low	154 Å²	154	160.5 Å²	160.5	82%	0.824	82%	0.821	S	S	*	*				78.3	113.6	61.5	-84.4	33.6	0	0	0	115.6
437	S	31.5	Very low	29.3	Very low	127 Å²	127	159.7 Å²	159.7	89%	0.888	83%	0.829	S	S	*	*			trans	-161.9	132.6	141.9	57.6	0	0	0	0	110.7
438	S	28.8	Very low	29.2	Very low	112 Å²	112	157 Å²	157	78%	0.783	82%	0.821	S	S	*	*			trans	-107.4	153.6	179.2	49.2	0	0	0	0	111.5
439	F	27.2	Very low	29.5	Very low	199 Å²	199	150 Å²	150	87%	0.873	80%	0.799	S	S	*	*			trans	-146.5	123.7	160.5	-125.3	-89.6	0	0	0	109.8
440	D	30.8	Very low	29.7	Very low	156 Å²	156	147 Å²	147	83%	0.834	78%	0.778	S	S	*	*			trans	-100.4	140	169.1	-90.3	-52	0	0	0	108.3
441	E	29.5	Very low	30.1	Very low	189 Å²	189	141.6 Å²	141.6	88%	0.883	77%	0.771	S	S	*	*			trans	-153.3	141.3	153.5	-130.9	172.4	-153.2	0	0	112.3
442	R	27.3	Very low	30.5	Very low	241 Å²	241	135.3 Å²	135.3	91%	0.909	75%	0.753	S	S	*	*			trans	-101.7	132.6	-179.8	-64.9	168.9	168.4	-178.8	-4.4	109.7
443	S	31.1	Very low	31.2	Very low	112 Å²	112	131.1 Å²	131.1	78%	0.783	73%	0.731	S	S	*	*			trans	-178.2	134.3	140.7	54.1	0	0	0	0	115.3
444	S	31.1	Very low	32.1	Very low	98 Å²	98	127.5 Å²	127.5	69%	0.685	72%	0.717	S	S	*	*			trans	43.7	107.2	142.4	63.6	0	0	0	0	121.6
445	S	27.2	Very low	32.7	Very low	112 Å²	112	126.4 Å²	126.4	78%	0.783	70%	0.702	S	S	*	*				22.5	105	126.1	61.2	0	0	0	0	119.8
446	R	30.7	Very low	33.2	Very low	250 Å²	250	119 Å²	119	94%	0.943	67%	0.671	S	S	*	*			trans	-161.8	140.4	133.8	-111.1	166.8	-179.6	177.9	-0.2	109.6	G448	R446-G448 PolarHBondContact O-N 2.83Å
447	G	28.5	Very low	34	Very low	90 Å²	90	113.8 Å²	113.8	93%	0.928	64%	0.642	S	S	*	*			trans	-66.5	126	-172.6	0	0	0	0	0	112.9
448	G	28.4	Very low	34.6	Very low	67 Å²	67	113.7 Å²	113.7	69%	0.691	63%	0.627	S	S	*	*			trans	-141.8	117.9	167	0	0	0	0	0	108.5	R446 S450	R446-G448 PolarHBondContact O-N 2.83Å; G448-S450 PolarHBondContact O-N 3.22Å
449	S	32.7	Very low	35	Very low	67 Å²	67	110.7 Å²	110.7	47%	0.469	60%	0.601	S	S	.	*			trans	-58.6	133.6	172.9	38.8	0	0	0	0	109.7	R454	S449-R454 PolarHBondContact OG-NE 3.46Å
450	S	35.9	Very low	35.7	Very low	43 Å²	43	101.6 Å²	101.6	30%	0.301	56%	0.561	S	S	.	*			trans	-62	154	-177.6	69.4	0	0	0	0	110.1	G448 T452 D453 R454	G448-S450 PolarHBondContact O-N 3.22Å; S450-T452 WeakPolarHBondContact CB-OG1 3.42Å; S450-T452 PolarHBondContact O-N 3.39Å; S450-T452 PolarHBondContact OG-OG1 3.18Å; S450-D453 WeakPolarHBondContact CB-OD2 3.4Å; S450-D453 PolarHBondContact N-OD2 2.91Å; S450-D453 PolarHBondContact O-N 3.4Å; S450-D453 PolarHBondContact OG-N 3.14Å; S450-D453 PolarHBondContact OG-OD2 3.08Å; S450-R454 PolarHBondContact O-N 2.87Å
451	S	35.4	Very low	36.1	Very low	91 Å²	91	98.9 Å²	98.9	64%	0.636	54%	0.539	S	S	*	.	H	α-helix	trans	-56	-34.6	173.3	47.8	0	0	0	0	111.2	L455	S451-L455 WeakPolarHBondContact O-CD1 3.1Å; S451-L455 PolarHBondContact O-N 3.14Å
452	T	37.9	Very low	36.4	Very low	55 Å²	55	95.8 Å²	95.8	34%	0.337	53%	0.525	S	S	.	.	H	α-helix	trans	-62.5	-45.8	171.2	33.6	0	0	0	0	113.4	S450 R454 L455 Q456	S450-T452 WeakPolarHBondContact CB-OG1 3.42Å; S450-T452 PolarHBondContact O-N 3.39Å; S450-T452 PolarHBondContact OG-OG1 3.18Å; T452-R454 VanDerWaalsContact C-N 3.34Å; T452-R454 PolarHBondContact O-N 3.05Å; T452-L455 PolarHBondContact O-N 3.02Å; T452-Q456 WeakPolarHBondContact O-CB 3.28Å; T452-Q456 VanDerWaalsContact O-CG 3.28Å; T452-Q456 WeakPolarHBondContact O-CG 3.39Å; T452-Q456 PolarHBondContact O-N 2.83Å
453	D	42.7	Very low	36.8	Very low	76 Å²	76	85 Å²	85	41%	0.406	49%	0.486	S	S	.	.	H	α-helix	trans	-62.6	-42.5	176.7	-63.4	-51.3	0	0	0	111.1	S450 Q456 E457	S450-D453 WeakPolarHBondContact CB-OD2 3.4Å; S450-D453 PolarHBondContact N-OD2 2.91Å; S450-D453 PolarHBondContact O-N 3.4Å; S450-D453 PolarHBondContact OG-N 3.14Å; S450-D453 PolarHBondContact OG-OD2 3.08Å; D453-Q456 PolarHBondContact O-N 3.46Å; D453-E457 VanDerWaalsContact O-CB 3.31Å; D453-E457 WeakPolarHBondContact O-CB 3.38Å; D453-E457 PolarHBondContact O-N 3.02Å
454	R	45.4	Very low	37.2	Very low	150 Å²	150	80.5 Å²	80.5	57%	0.566	45%	0.453	S	S	*	.	H	α-helix	trans	-66.8	-39.2	178.7	-69.8	-173.7	-179.7	-163.3	-1.9	112.5	S449 S450 T452 Q458	S449-R454 PolarHBondContact OG-NE 3.46Å; S450-R454 PolarHBondContact O-N 2.87Å; T452-R454 VanDerWaalsContact C-N 3.34Å; T452-R454 PolarHBondContact O-N 3.05Å; R454-Q458 VanDerWaalsContact O-CB 3.24Å; R454-Q458 WeakPolarHBondContact O-CB 3.03Å; R454-Q458 PolarHBondContact O-N 3.23Å
455	L	43.8	Very low	37.3	Very low	84 Å²	84	75.9 Å²	75.9	44%	0.44	42%	0.422	S	S	.	.	H	α-helix	trans	-68.5	-41.8	173.9	-99.5	108.9	0	0	0	111.7	S451 T452 E457 Q458 M459	S451-L455 WeakPolarHBondContact O-CD1 3.1Å; S451-L455 PolarHBondContact O-N 3.14Å; T452-L455 PolarHBondContact O-N 3.02Å; L455-E457 VanDerWaalsContact C-N 3.33Å; L455-E457 PolarHBondContact O-N 3.06Å; L455-Q458 PolarHBondContact O-N 3.21Å; L455-M459 WeakPolarHBondContact O-CB 3.49Å; L455-M459 WeakPolarHBondContact O-CG 3.38Å; L455-M459 PolarHBondContact O-N 3.19Å
456	Q	42.9	Very low	37.6	Very low	26 Å²	26	76.5 Å²	76.5	12%	0.121	41%	0.412	C	S	.	.	H	α-helix	trans	-59.5	-44.9	173.3	-77.2	179.7	-1.3	0	0	111.3	Y94 Y99 T452 D453 M459 M460	Y94-Q456 HydrophobicContact CD1-CG 3.71Å; Y94-Q456 HydrophobicContact CE1-CG 3.84Å; Y94-Q456 HydrophobicContact CG-CG 4.3Å; Y99-Q456 PolarHBondContact OH-NE2 3.3Å; Y99-Q456 VanDerWaalsContact OH-NE2 3.13Å; T452-Q456 WeakPolarHBondContact O-CB 3.28Å; T452-Q456 VanDerWaalsContact O-CG 3.28Å; T452-Q456 WeakPolarHBondContact O-CG 3.39Å; T452-Q456 PolarHBondContact O-N 2.83Å; D453-Q456 PolarHBondContact O-N 3.46Å; Q456-M459 PolarHBondContact O-N 3.28Å; Q456-M460 WeakPolarHBondContact O-CB 3.44Å; Q456-M460 PolarHBondContact O-N 2.98Å
457	E	45.2	Very low	37.8	Very low	45 Å²	45	67.5 Å²	67.5	21%	0.21	38%	0.38	C	S	.	.	H	α-helix	trans	-61.5	-47.5	174.5	-165.1	-162.8	177.9	0	0	110.8	Y115 D453 L455 M459 M460 R461	Y115-E457 HydrophobicContact CD1-CG 4.39Å; Y115-E457 HydrophobicContact CE1-CB 4.32Å; Y115-E457 HydrophobicContact CE1-CG 4.03Å; D453-E457 VanDerWaalsContact O-CB 3.31Å; D453-E457 WeakPolarHBondContact O-CB 3.38Å; D453-E457 PolarHBondContact O-N 3.02Å; L455-E457 VanDerWaalsContact C-N 3.33Å; L455-E457 PolarHBondContact O-N 3.06Å; E457-M459 VanDerWaalsContact C-N 3.33Å; E457-M459 PolarHBondContact O-N 3.48Å; E457-M460 CarbonylContact O-C 3.57Å; E457-M460 PolarHBondContact O-N 3.37Å; E457-M460 VanDerWaalsContact O-N 3.08Å; E457-R461 VanDerWaalsContact CD-NH2 3.28Å; E457-R461 VanDerWaalsContact O-CG 3.29Å; E457-R461 WeakPolarHBondContact O-CG 3.26Å; E457-R461 PolarHBondContact O-N 3.06Å; E457-R461 IonicContact OE1-CZ 3.46Å; E457-R461 VanDerWaalsContact OE1-CZ 3.24Å; E457-R461 IonicContact OE1-NE 2.71Å; E457-R461 PolarHBondContact OE1-NE 3.06Å; E457-R461 VanDerWaalsContact OE1-NE 3.16Å; E457-R461 IonicContact OE1-NH2 2.69Å; E457-R461 PolarHBondContact OE1-NH2 2.57Å; E457-R461 IonicContact OE2-CZ 3.48Å; E457-R461 IonicContact OE2-NH2 2.7Å; E457-R461 PolarHBondContact OE2-NH2 3.39Å
458	Q	43.9	Very low	37.8	Very low	125 Å²	125	67.7 Å²	67.7	58%	0.584	37%	0.367	S	S	*	.	H	α-helix	trans	-62.6	-38.3	-179.5	-166.5	171.7	14	0	0	112.3	R454 L455 R461 Q462	R454-Q458 VanDerWaalsContact O-CB 3.24Å; R454-Q458 WeakPolarHBondContact O-CB 3.03Å; R454-Q458 PolarHBondContact O-N 3.23Å; L455-Q458 PolarHBondContact O-N 3.21Å; Q458-R461 PolarHBondContact O-N 3.28Å; Q458-Q462 PolarHBondContact O-N 2.78Å
459	M	37.1	Very low	37.8	Very low	48 Å²	48	70 Å²	70	24%	0.236	37%	0.368	C	S	.	.	H	α-helix	trans	-69.3	-41.4	170.2	-69.2	-171.6	76.1	0	0	111.6	Y94 L455 Q456 E457 R461 Q462 V463	Y94-M459 HydrophobicContact CD2-CE 4.31Å; Y94-M459 HydrophobicContact CD2-SD 3.51Å; Y94-M459 VanDerWaalsContact CD2-SD 3.51Å; Y94-M459 HydrophobicContact CE2-SD 3.33Å; Y94-M459 WeakPolarHBondContact CE2-SD 3.29Å; L455-M459 WeakPolarHBondContact O-CB 3.49Å; L455-M459 WeakPolarHBondContact O-CG 3.38Å; L455-M459 PolarHBondContact O-N 3.19Å; Q456-M459 PolarHBondContact O-N 3.28Å; E457-M459 VanDerWaalsContact C-N 3.33Å; E457-M459 PolarHBondContact O-N 3.48Å; M459-R461 PolarHBondContact O-N 3.07Å; M459-Q462 CarbonylContact O-C 3.58Å; M459-Q462 WeakPolarHBondContact O-CA 3.38Å; M459-Q462 WeakPolarHBondContact O-CB 3.49Å; M459-Q462 PolarHBondContact O-N 3.2Å; M459-Q462 VanDerWaalsContact O-N 3.08Å; M459-V463 VanDerWaalsContact O-CB 3.28Å; M459-V463 WeakPolarHBondContact O-CB 2.77Å; M459-V463 WeakPolarHBondContact O-CG2 3.28Å; M459-V463 PolarHBondContact O-N 2.8Å
460	M	41.4	Very low	37.6	Very low	8 Å²	8	70.5 Å²	70.5	4%	0.039	36%	0.364	C	S	.	.	H	α-helix	trans	-62.9	-31.7	175.5	-121.3	-47.7	-163.5	0	0	112.2	Y101 Y115 Q456 E457 Q462 V463 V464	Y101-M460 HydrophobicContact CD1-CE 4.36Å; Y101-M460 HydrophobicContact CD2-CE 3.6Å; Y101-M460 HydrophobicContact CE2-CE 3.99Å; Y101-M460 HydrophobicContact CG-CE 3.8Å; Y115-M460 HydrophobicContact CE2-CG 4.5Å; Q456-M460 WeakPolarHBondContact O-CB 3.44Å; Q456-M460 PolarHBondContact O-N 2.98Å; E457-M460 CarbonylContact O-C 3.57Å; E457-M460 PolarHBondContact O-N 3.37Å; E457-M460 VanDerWaalsContact O-N 3.08Å; M460-Q462 VanDerWaalsContact C-N 3.31Å; M460-Q462 PolarHBondContact O-N 3.03Å; M460-V463 CarbonylContact O-C 3.6Å; M460-V463 VanDerWaalsContact O-C 3.3Å; M460-V463 WeakPolarHBondContact O-CA 3.42Å; M460-V463 PolarHBondContact O-N 3.42Å; M460-V463 HydrophobicContact SD-CB 3.95Å; M460-V463 HydrophobicContact SD-CG1 3.77Å; M460-V464 HydrophobicContact CE-CG2 3.83Å; M460-V464 PolarHBondContact O-N 2.89Å; M460-V464 HydrophobicContact SD-CG2 3.33Å; M460-V464 WeakPolarHBondContact SD-CG2 3.2Å
461	R	40.6	Very low	37.1	Very low	99 Å²	99	74.2 Å²	74.2	37%	0.374	39%	0.387	S	S	.	.	H	α-helix	trans	-69.1	-29.9	175	-70.6	-175.9	-174.1	174.4	4.7	112.7	C121 L122 E457 Q458 M459 V463	C121-R461 HydrophobicContact CB-CB 3.71Å; C121-R461 HydrophobicContact CB-CG 3.67Å; L122-R461 CarbonylContact C-O 3.53Å; L122-R461 PolarHBondContact N-O 2.93Å; E457-R461 VanDerWaalsContact CD-NH2 3.28Å; E457-R461 VanDerWaalsContact O-CG 3.29Å; E457-R461 WeakPolarHBondContact O-CG 3.26Å; E457-R461 PolarHBondContact O-N 3.06Å; E457-R461 IonicContact OE1-CZ 3.46Å; E457-R461 VanDerWaalsContact OE1-CZ 3.24Å; E457-R461 IonicContact OE1-NE 2.71Å; E457-R461 PolarHBondContact OE1-NE 3.06Å; E457-R461 VanDerWaalsContact OE1-NE 3.16Å; E457-R461 IonicContact OE1-NH2 2.69Å; E457-R461 PolarHBondContact OE1-NH2 2.57Å; E457-R461 IonicContact OE2-CZ 3.48Å; E457-R461 IonicContact OE2-NH2 2.7Å; E457-R461 PolarHBondContact OE2-NH2 3.39Å; Q458-R461 PolarHBondContact O-N 3.28Å; M459-R461 PolarHBondContact O-N 3.07Å; R461-V463 PolarHBondContact O-N 2.88Å
462	Q	35.1	Very low	36.8	Very low	125 Å²	125	77.3 Å²	77.3	58%	0.584	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	1.5	165	-63.1	175.4	-16.1	0	0	112.5	L122 L123 I124 Q458 M459 M460	L122-Q462 CarbonylContact O-C 3.52Å; L123-Q462 CarbonylContact C-O 3.58Å; L123-Q462 WeakPolarHBondContact CA-O 3.44Å; I124-Q462 PolarHBondContact N-O 3.26Å; I124-Q462 VanDerWaalsContact N-O 3.11Å; Q458-Q462 PolarHBondContact O-N 2.78Å; M459-Q462 CarbonylContact O-C 3.58Å; M459-Q462 WeakPolarHBondContact O-CA 3.38Å; M459-Q462 WeakPolarHBondContact O-CB 3.49Å; M459-Q462 PolarHBondContact O-N 3.2Å; M459-Q462 VanDerWaalsContact O-N 3.08Å; M460-Q462 VanDerWaalsContact C-N 3.31Å; M460-Q462 PolarHBondContact O-N 3.03Å
463	V	35.7	Very low	36.3	Very low	13 Å²	13	78 Å²	78	8%	0.079	40%	0.396	C	S	.	.	S	Bend	trans	-135.8	20.2	-161	174.3	0	0	0	0	118.5	L92 L123 M459 M460 R461	L92-V463 HydrophobicContact CD1-CG1 4.5Å; L92-V463 HydrophobicContact CD2-CG1 4.5Å; L123-V463 VanDerWaalsContact CA-C 3.47Å; L123-V463 VanDerWaalsContact CA-CA 3.4Å; L123-V463 WeakPolarHBondContact CB-O 3.27Å; L123-V463 HydrophobicContact CD1-CG1 4.47Å; L123-V463 VanDerWaalsContact CD1-O 3.22Å; L123-V463 WeakPolarHBondContact CD1-O 3.47Å; L123-V463 HydrophobicContact CG-CB 4.25Å; L123-V463 HydrophobicContact CG-CG1 4.16Å; L123-V463 WeakPolarHBondContact CG-O 3.36Å; M459-V463 VanDerWaalsContact O-CB 3.28Å; M459-V463 WeakPolarHBondContact O-CB 2.77Å; M459-V463 WeakPolarHBondContact O-CG2 3.28Å; M459-V463 PolarHBondContact O-N 2.8Å; M460-V463 CarbonylContact O-C 3.6Å; M460-V463 VanDerWaalsContact O-C 3.3Å; M460-V463 WeakPolarHBondContact O-CA 3.42Å; M460-V463 PolarHBondContact O-N 3.42Å; M460-V463 HydrophobicContact SD-CB 3.95Å; M460-V463 HydrophobicContact SD-CG1 3.77Å; R461-V463 PolarHBondContact O-N 2.88Å
464	V	39.3	Very low	35.6	Very low	18 Å²	18	81.6 Å²	81.6	11%	0.109	42%	0.416	C	S	.	.	S	Bend	trans	-132.5	53.8	166.2	-154.5	0	0	0	0	120.1	L103 C113 C121 L123 M460	L103-V464 HydrophobicContact CD2-CG1 4.21Å; C113-V464 HydrophobicContact CB-CG1 3.88Å; C113-V464 HydrophobicContact CB-CG2 4.1Å; C121-V464 CarbonylContact O-C 3.52Å; C121-V464 VanDerWaalsContact O-C 3.28Å; C121-V464 WeakPolarHBondContact O-CB 3.47Å; L123-V464 VanDerWaalsContact CB-N 3.27Å; L123-V464 VanDerWaalsContact N-C 3.32Å; M460-V464 HydrophobicContact CE-CG2 3.83Å; M460-V464 PolarHBondContact O-N 2.89Å; M460-V464 HydrophobicContact SD-CG2 3.33Å; M460-V464 WeakPolarHBondContact SD-CG2 3.2Å
465	G	33.6	Very low	34.6	Very low	2 Å²	2	83.7 Å²	83.7	2%	0.021	43%	0.429	C	S	.	.			trans	-175.9	-12.3	-155.3	0	0	0	0	0	131.2	L122 F467 S468	L122-G465 VanDerWaalsContact CA-CA 3.49Å; L122-G465 VanDerWaalsContact CD1-CA 3.47Å; L122-G465 WeakPolarHBondContact CG-O 3.45Å; G465-F467 PolarHBondContact O-N 2.91Å; G465-S468 PolarHBondContact O-N 3.33Å
466	H	34	Very low	33.7	Very low	125 Å²	125	86.2 Å²	86.2	58%	0.579	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	7.8	163.7	-85.9	55.2	0	0	0	112.3	L123 I124 S468	L123-H466 VanDerWaalsContact O-CB 3.25Å; L123-H466 WeakPolarHBondContact O-CB 3.46Å; L123-H466 PolarHBondContact O-N 2.88Å; L123-H466 PolarHBondContact O-ND1 3.03Å; I124-H466 WeakPolarHBondContact CD1-CE1 3.5Å; I124-H466 VanDerWaalsContact CD1-NE2 3.31Å; I124-H466 WeakPolarHBondContact CD1-NE2 3.49Å; I124-H466 WeakPolarHBondContact CG1-CE1 3.43Å; H466-S468 VanDerWaalsContact C-N 3.35Å
467	F	34.8	Very low	33	Very low	61 Å²	61	93.1 Å²	93.1	27%	0.268	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-8.3	165.1	-59.7	-67.3	0	0	0	116.4	W54 L123 G465 T469 I470	W54-F467 AromaticContact CH2-CE1 3.56Å; W54-F467 HydrophobicContact CH2-CE1 3.56Å; W54-F467 HydrophobicContact CH2-CZ 4.01Å; W54-F467 HydrophobicContact CZ2-CE1 4.09Å; W54-F467 HydrophobicContact CZ2-CZ 4.4Å; W54-F467 HydrophobicContact CZ3-CE1 4.16Å; W54-F467 HydrophobicContact CZ3-CZ 4.3Å; L123-F467 HydrophobicContact CB-CE2 4.37Å; L123-F467 HydrophobicContact CD1-CE2 3.7Å; L123-F467 HydrophobicContact CD1-CZ 4.2Å; G465-F467 PolarHBondContact O-N 2.91Å; F467-T469 PolarHBondContact O-N 2.82Å; F467-I470 HydrophobicContact CD1-CD1 4.19Å
468	S	28.8	Very low	32.3	Very low	94 Å²	94	95.1 Å²	95.1	66%	0.657	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	0.4	-179.7	55.5	0	0	0	0	115.4	G465 H466	G465-S468 PolarHBondContact O-N 3.33Å; H466-S468 VanDerWaalsContact C-N 3.35Å
469	T	28.6	Very low	31.4	Very low	115 Å²	115	98 Å²	98	71%	0.706	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.1	39.6	-174.7	62.4	0	0	0	0	114.7	F467	F467-T469 PolarHBondContact O-N 2.82Å
470	I	27.5	Very low	31	Very low	78 Å²	78	104.7 Å²	104.7	40%	0.4	54%	0.538	S	S	.	.			trans	-113.3	105.6	175.9	-53.9	-179.1	0	0	0	111	F467	F467-I470 HydrophobicContact CD1-CD1 4.19Å
471	P	26.2	Very low	30.5	Very low	120 Å²	120	113 Å²	113	78%	0.779	58%	0.577	S	S	*	*			trans	-69.4	138.5	171.4	-18	32.1	0	0	0	112.2
472	K	27.6	Very low	29.9	Very low	156 Å²	156	112.6 Å²	112.6	68%	0.678	59%	0.589	S	S	*	*			trans	-77.9	120.4	176.6	-67.4	177.6	178	175.8	0	111	D108 G109	D108-K472 PolarHBondContact O-NZ 3.01Å; G109-K472 VanDerWaalsContact CA-NZ 3.31Å; G109-K472 VanDerWaalsContact O-CE 3.28Å; G109-K472 WeakPolarHBondContact O-CE 3.42Å; G109-K472 PolarHBondContact O-NZ 3.5Å
473	S	28	Very low	29.6	Very low	69 Å²	69	115.1 Å²	115.1	48%	0.483	61%	0.606	S	S	.	*			trans	-150.6	50.6	163.2	76.8	0	0	0	0	113.4	K475	S473-K475 VanDerWaalsContact C-N 3.31Å; S473-K475 PolarHBondContact O-N 3.4Å; S473-K475 VanDerWaalsContact O-N 3.09Å
474	N	27.2	Very low	29.1	Very low	152 Å²	152	119.1 Å²	119.1	81%	0.813	63%	0.634	S	S	*	*			trans	-78.7	82.3	165.3	-77.1	-2.4	0	0	0	109.6
475	K	25.2	Very low	28.7	Very low	194 Å²	194	127 Å²	127	84%	0.843	67%	0.67	S	S	*	*			trans	-148.4	83.2	164.7	-78	-163.7	175.8	-173.7	0	109.3	S473	S473-K475 VanDerWaalsContact C-N 3.31Å; S473-K475 PolarHBondContact O-N 3.4Å; S473-K475 VanDerWaalsContact O-N 3.09Å
476	I	25.8	Very low	28.4	Very low	138 Å²	138	135.5 Å²	135.5	71%	0.708	71%	0.709	S	S	*	*			trans	-137.2	63	168.6	-48.2	-178.9	0	0	0	109.1
477	D	27.5	Very low	28.1	Very low	171 Å²	171	136.3 Å²	136.3	91%	0.914	72%	0.723	S	S	*	*	S	Bend	trans	-112.9	23.1	167.7	-68.2	-53.7	0	0	0	111.1
478	A	29.7	Very low	27.7	Very low	87 Å²	87	139 Å²	139	72%	0.719	75%	0.747	S	S	*	*	S	Bend	trans	-147.4	32.1	-168.4	0	0	0	0	0	114.7
479	Y	25.4	Very low	27.6	Very low	186 Å²	186	140.7 Å²	140.7	73%	0.729	75%	0.753	S	S	*	*	S	Bend	trans	-126.6	13.6	-177.1	-143.8	-95.2	0	0	0	115
480	F	29.5	Very low	27.5	Very low	188 Å²	188	141.4 Å²	141.4	83%	0.825	76%	0.757	S	S	*	*	S	Bend	trans	-119.6	4.4	-179.2	-86.5	-76.3	0	0	0	115
481	E	31.4	Very low	27.4	Very low	182 Å²	182	143.5 Å²	143.5	85%	0.85	77%	0.774	S	S	*	*	S	Bend	trans	-108.5	10.6	-177.6	-69.1	-175.9	141.5	0	0	114.4
482	S	28.1	Very low	27.3	Very low	90 Å²	90	142.7 Å²	142.7	63%	0.629	77%	0.771	S	S	*	*			trans	-122.5	35	-171.2	75.6	0	0	0	0	115.1
483	L	28.7	Very low	27.4	Very low	178 Å²	178	142.1 Å²	142.1	93%	0.932	78%	0.781	S	S	*	*			trans	-133.3	58.5	176	-72.3	177	0	0	0	111.7
484	S	24.4	Very low	27.5	Very low	97 Å²	97	144.2 Å²	144.2	68%	0.678	80%	0.796	S	S	*	*			trans	-146.8	88.6	175	53.4	0	0	0	0	110.8
485	E	30.1	Very low	27.9	Very low	183 Å²	183	141.8 Å²	141.8	86%	0.855	79%	0.788	S	S	*	*			trans	-175.4	106.4	161	-105.1	161.7	-155.3	0	0	106
486	E	27.4	Very low	28	Very low	182 Å²	182	140.5 Å²	140.5	85%	0.85	79%	0.79	S	S	*	*				88.3	137	95.2	-81.5	-149.7	177.5	0	0	114.8
487	V	28.2	Very low	28	Very low	142 Å²	142	141.7 Å²	141.7	86%	0.861	80%	0.797	S	S	*	*			trans	177.7	145.8	148.3	142.2	0	0	0	0	109.6
488	P	26.7	Very low	27.9	Very low	118 Å²	118	140.1 Å²	140.1	77%	0.766	79%	0.793	S	S	*	*			trans	-107.1	-179.7	-144.6	3.4	19.3	0	0	0	118
489	T	25.6	Very low	27.6	Very low	128 Å²	128	141.6 Å²	141.6	79%	0.785	80%	0.799	S	S	*	*			trans	-84.6	150.3	-177.5	52.2	0	0	0	0	115.9
490	T	26.5	Very low	27.7	Very low	131 Å²	131	140.1 Å²	140.1	80%	0.804	80%	0.802	S	S	*	*			trans	-161.3	129.2	141.7	32.8	0	0	0	0	115.8
491	T	26.4	Very low	27.5	Very low	121 Å²	121	136.9 Å²	136.9	74%	0.742	80%	0.8	S	S	*	*			trans	53.9	99.4	139	62.1	0	0	0	0	124.6
492	S	24.6	Very low	27.2	Very low	104 Å²	104	135.3 Å²	135.3	73%	0.727	80%	0.795	S	S	*	*				30.2	131.9	123.1	63.1	0	0	0	0	124.1
493	T	30	Very low	27.1	Very low	144 Å²	144	135.6 Å²	135.6	88%	0.883	80%	0.803	S	S	*	*				-162.9	140.4	120.3	8.4	0	0	0	0	111.4
494	S	28.5	Very low	26.9	Very low	113 Å²	113	138 Å²	138	79%	0.79	80%	0.8	S	S	*	*			trans	-124.8	-174.3	176.6	-44.6	0	0	0	0	108.6
495	P	35.9	Very low	27.1	Very low	100 Å²	100	139.3 Å²	139.3	65%	0.649	80%	0.804	S	S	*	*			cis	-130.9	-172.9	-13	38.3	-20.5	0	0	0	112.7
496	N	28.4	Very low	26.9	Very low	168 Å²	168	134.7 Å²	134.7	90%	0.898	80%	0.798	S	S	*	*			trans	-162.2	129.5	137.7	-100.8	-34.9	0	0	0	111.5
497	L	24.6	Very low	26.9	Very low	162 Å²	162	132.2 Å²	132.2	85%	0.848	80%	0.8	S	S	*	*			trans	-90.2	140.5	-179	-72.4	113	0	0	0	111.9
498	V	25.8	Very low	26.8	Very low	138 Å²	138	130.7 Å²	130.7	84%	0.836	80%	0.796	S	S	*	*			trans	-140.2	126.3	153.9	-176.4	0	0	0	0	109.1
499	S	23.7	Very low	26.8	Very low	119 Å²	119	129.2 Å²	129.2	83%	0.832	80%	0.802	S	S	*	*			trans	-98.4	141.9	179.5	40.1	0	0	0	0	111.8
500	I	26.8	Very low	27	Very low	154 Å²	154	128 Å²	128	79%	0.79	80%	0.799	S	S	*	*			trans	-134.4	142	177.4	-63.8	-175.7	0	0	0	108.9
501	P	26.1	Very low	27.3	Very low	121 Å²	121	125.6 Å²	125.6	79%	0.786	80%	0.8	S	S	*	*			trans	-84.1	154.9	-145.7	-15.1	31.1	0	0	0	117.4	A503	P501-A503 PolarHBondContact O-N 3.28Å
502	I	25.4	Very low	28.4	Very low	148 Å²	148	128.2 Å²	128.2	76%	0.759	80%	0.804	S	S	*	*			trans	-72.9	108.4	167.2	-56.9	171.3	0	0	0	109.4	R504	I502-R504 VanDerWaalsContact C-N 3.34Å; I502-R504 HydrophobicContact CG2-CG 4.04Å; I502-R504 PolarHBondContact O-N 3.42Å
503	A	26.3	Very low	30.1	Very low	96 Å²	96	126.9 Å²	126.9	79%	0.793	79%	0.793	S	S	*	*			trans	-76.1	81.7	170.4	0	0	0	0	0	111.4	P501 T505	P501-A503 PolarHBondContact O-N 3.28Å; A503-T505 PolarHBondContact O-N 3.47Å
504	R	24.1	Very low	32.6	Very low	228 Å²	228	121.5 Å²	121.5	86%	0.86	76%	0.76	S	S	*	*			trans	-79.8	94.7	161.5	-79.5	-177.7	179.2	172	-0	109.7	I502	I502-R504 VanDerWaalsContact C-N 3.34Å; I502-R504 HydrophobicContact CG2-CG 4.04Å; I502-R504 PolarHBondContact O-N 3.42Å
505	T	28	Very low	35.3	Very low	125 Å²	125	119.1 Å²	119.1	77%	0.767	74%	0.739	S	S	*	*			trans	-135.9	105.8	159.1	42.8	0	0	0	0	107.6	A503	A503-T505 PolarHBondContact O-N 3.47Å
506	A	26.3	Very low	37.8	Very low	87 Å²	87	120 Å²	120	72%	0.719	73%	0.729	S	S	*	*				96.9	122.5	70.9	0	0	0	0	0	110.4	S508	A506-S508 PolarHBondContact O-N 3.11Å
507	S	26.3	Very low	40.7	Very low	130 Å²	130	117.8 Å²	117.8	91%	0.909	71%	0.713	S	S	*	*			trans	-78.4	97.1	177.1	48.7	0	0	0	0	110.9
508	S	27.3	Very low	43.9	Very low	109 Å²	109	112 Å²	112	76%	0.762	69%	0.686	S	S	*	*			trans	-156.7	150	162.9	53.9	0	0	0	0	110.8	A506 S510	A506-S508 PolarHBondContact O-N 3.11Å; S508-S510 PolarHBondContact O-N 3.33Å
509	G	26.2	Very low	47	Very low	88 Å²	88	105.4 Å²	105.4	91%	0.907	65%	0.646	S	S	*	*			trans	-76.3	115.9	-169.2	0	0	0	0	0	113.9
510	S	29	Very low	50.3	Low	101 Å²	101	101 Å²	101	71%	0.706	61%	0.614	S	S	*	*			trans	-155.1	140.2	143.2	61.5	0	0	0	0	109.2	S508 H512	S508-S510 PolarHBondContact O-N 3.33Å; S510-H512 VanDerWaalsContact C-N 3.34Å; S510-H512 PolarHBondContact O-N 3.15Å
511	G	33.7	Very low	53.4	Low	81 Å²	81	97 Å²	97	84%	0.835	60%	0.595	S	S	*	*			trans	-75.1	77.2	-171.6	0	0	0	0	0	113.3	C513	G511-C513 PolarHBondContact O-N 2.94Å
512	H	49.7	Very low	56.6	Low	177 Å²	177	92.4 Å²	92.4	82%	0.819	56%	0.563	S	S	*	*			trans	-63.5	105.4	173.5	-116.8	39.9	0	0	0	110.2	S510 V514	S510-H512 VanDerWaalsContact C-N 3.34Å; S510-H512 PolarHBondContact O-N 3.15Å; H512-V514 PolarHBondContact O-N 3.39Å
513	C	60.3	Low	59.8	Low	75 Å²	75	85.4 Å²	85.4	51%	0.507	53%	0.527	S	S	.	.			trans	-74.7	118.4	-169.9	115.1	0	0	0	0	109.7	G511 N515 R564	G511-C513 PolarHBondContact O-N 2.94Å; C513-N515 PolarHBondContact O-N 3.21Å; C513-R564 PolarHBondContact SG-NH1 3.09Å
514	V	81.6	Confident	62.9	Low	31 Å²	31	86.9 Å²	86.9	19%	0.188	52%	0.516	C	S	.	.			trans	-70.6	123.2	178.8	179.1	0	0	0	0	109.7	H512 V557 A560 R564	H512-V514 PolarHBondContact O-N 3.39Å; V514-V557 HydrophobicContact CG1-CG1 3.99Å; V514-V557 WeakPolarHBondContact CG1-O 3.42Å; V514-A560 HydrophobicContact CB-CB 4.12Å; V514-A560 HydrophobicContact CG1-CB 4.29Å; V514-A560 HydrophobicContact CG2-CB 3.85Å; V514-R564 PolarHBondContact O-NH1 2.83Å
515	N	86.1	Confident	66.2	Low	63 Å²	63	78.4 Å²	78.4	34%	0.337	49%	0.494	S	S	.	.			trans	-127.1	179.1	-175	71.2	20.7	0	0	0	111.8	C513 E517 S518 V519	C513-N515 PolarHBondContact O-N 3.21Å; N515-E517 PolarHBondContact O-N 3.29Å; N515-E517 WeakPolarHBondContact OD1-CA 3.27Å; N515-E517 WeakPolarHBondContact OD1-CB 3.33Å; N515-E517 PolarHBondContact OD1-N 3.19Å; N515-S518 PolarHBondContact N-OG 2.63Å; N515-S518 VanDerWaalsContact N-OG 3.09Å; N515-S518 WeakPolarHBondContact O-CB 3.31Å; N515-S518 PolarHBondContact O-N 2.93Å; N515-S518 VanDerWaalsContact O-N 3.14Å; N515-S518 PolarHBondContact OD1-N 3.28Å; N515-S518 PolarHBondContact OD1-OG 2.67Å; N515-V519 PolarHBondContact O-N 3.37Å
516	R	89.3	Confident	69.3	Low	120 Å²	120	72.4 Å²	72.4	45%	0.453	46%	0.458	S	S	.	.	H	α-helix	trans	-57.4	-33.2	179.9	173	164.1	170.4	147.9	-6.2	112.7	T520 Y561 V617 K618	R516-T520 WeakPolarHBondContact O-CB 3.43Å; R516-T520 PolarHBondContact O-N 3.1Å; R516-T520 VanDerWaalsContact O-N 3.11Å; R516-T520 PolarHBondContact O-OG1 2.87Å; R516-Y561 HydrophobicContact CB-CE2 4.07Å; R516-V617 HydrophobicContact CG-CG1 3.77Å; R516-V617 PolarHBondContact NE-O 3.14Å; R516-V617 PolarHBondContact NH1-O 3.42Å; R516-K618 PolarHBondContact NH1-O 3.09Å; R516-K618 PolarHBondContact NH2-O 3.28Å
517	E	88.8	Confident	72.4	Confident	121 Å²	121	70.8 Å²	70.8	57%	0.565	44%	0.441	S	S	*	.	H	α-helix	trans	-74.2	-38.8	178	-173.2	174.9	-168.9	0	0	111.9	N515 V519 T520 N521	N515-E517 PolarHBondContact O-N 3.29Å; N515-E517 WeakPolarHBondContact OD1-CA 3.27Å; N515-E517 WeakPolarHBondContact OD1-CB 3.33Å; N515-E517 PolarHBondContact OD1-N 3.19Å; E517-V519 VanDerWaalsContact C-N 3.32Å; E517-V519 PolarHBondContact O-N 3Å; E517-T520 PolarHBondContact O-N 3.22Å; E517-T520 VanDerWaalsContact O-N 3.16Å; E517-N521 WeakPolarHBondContact O-CB 3.32Å; E517-N521 PolarHBondContact O-N 2.87Å
518	S	91.3	Very high	75.5	Confident	40 Å²	40	66.1 Å²	66.1	28%	0.28	41%	0.413	S	S	.	.	H	α-helix	trans	-55.2	-46.7	174.4	-42.7	0	0	0	0	111.7	N515 M522	N515-S518 PolarHBondContact N-OG 2.63Å; N515-S518 VanDerWaalsContact N-OG 3.09Å; N515-S518 WeakPolarHBondContact O-CB 3.31Å; N515-S518 PolarHBondContact O-N 2.93Å; N515-S518 VanDerWaalsContact O-N 3.14Å; N515-S518 PolarHBondContact OD1-N 3.28Å; N515-S518 PolarHBondContact OD1-OG 2.67Å; S518-M522 PolarHBondContact O-N 3.17Å
519	V	91.7	Very high	78.5	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-68	-44.5	176.9	-171.6	0	0	0	0	110.7	N515 E517 N521 M522 C523 V557 Y561 V613 V617	N515-V519 PolarHBondContact O-N 3.37Å; E517-V519 VanDerWaalsContact C-N 3.32Å; E517-V519 PolarHBondContact O-N 3Å; V519-N521 VanDerWaalsContact C-N 3.34Å; V519-N521 PolarHBondContact O-N 3Å; V519-M522 PolarHBondContact O-N 3.29Å; V519-C523 PolarHBondContact O-N 3.25Å; V519-C523 PolarHBondContact O-SG 3.36Å; V519-V557 HydrophobicContact CG2-CG1 4.06Å; V519-Y561 HydrophobicContact CG2-CD1 3.87Å; V519-Y561 HydrophobicContact CG2-CD2 4.07Å; V519-Y561 HydrophobicContact CG2-CG 3.55Å; V519-V613 HydrophobicContact CG1-CG1 3.91Å; V519-V617 HydrophobicContact CB-CG1 4.45Å; V519-V617 HydrophobicContact CB-CG2 4.1Å; V519-V617 HydrophobicContact CG1-CG2 3.61Å
520	T	91.9	Very high	81.6	Confident	26 Å²	26	57.1 Å²	57.1	16%	0.16	34%	0.336	C	S	.	.	H	α-helix	trans	-58.5	-43.5	179.8	-65	0	0	0	0	112.4	R516 E517 C523 K524 M614	R516-T520 WeakPolarHBondContact O-CB 3.43Å; R516-T520 PolarHBondContact O-N 3.1Å; R516-T520 VanDerWaalsContact O-N 3.11Å; R516-T520 PolarHBondContact O-OG1 2.87Å; E517-T520 PolarHBondContact O-N 3.22Å; E517-T520 VanDerWaalsContact O-N 3.16Å; T520-C523 PolarHBondContact O-N 2.76Å; T520-K524 WeakPolarHBondContact O-CG 3.25Å; T520-K524 PolarHBondContact O-N 3.14Å; T520-K524 VanDerWaalsContact O-N 3.08Å; T520-M614 HydrophobicContact CG2-CE 4.02Å; T520-M614 HydrophobicContact CG2-SD 4.37Å
521	N	91.6	Very high	84.3	Confident	70 Å²	70	55.2 Å²	55.2	37%	0.374	32%	0.322	S	S	.	.	H	α-helix	trans	-69.8	-37.5	179.9	-70.2	-14.8	0	0	0	111.5	E517 V519 K524 A525	E517-N521 WeakPolarHBondContact O-CB 3.32Å; E517-N521 PolarHBondContact O-N 2.87Å; V519-N521 VanDerWaalsContact C-N 3.34Å; V519-N521 PolarHBondContact O-N 3Å; N521-K524 PolarHBondContact O-N 3.5Å; N521-K524 PolarHBondContact OD1-NZ 3.42Å; N521-A525 PolarHBondContact O-N 2.98Å
522	M	93.1	Very high	86.8	Confident	25 Å²	25	55.2 Å²	55.2	12%	0.123	30%	0.3	C	S	.	.	H	α-helix	trans	-65	-39.7	173.7	-166.9	57.1	56.1	0	0	112.6	S518 V519 A525 L526 Q553 F554	S518-M522 PolarHBondContact O-N 3.17Å; V519-M522 PolarHBondContact O-N 3.29Å; M522-A525 PolarHBondContact O-N 3.24Å; M522-L526 PolarHBondContact O-N 3.02Å; M522-Q553 HydrophobicContact CE-CG 3.83Å; M522-Q553 HydrophobicContact SD-CG 4.36Å; M522-F554 HydrophobicContact CB-CD2 4.32Å; M522-F554 HydrophobicContact CG-CB 3.76Å; M522-F554 HydrophobicContact CG-CD2 3.75Å; M522-F554 HydrophobicContact CG-CG 4.26Å
523	C	93.4	Very high	88.4	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.007	26%	0.262	C	S	.	.	H	α-helix	trans	-64.1	-39.2	174.1	-66.7	0	0	0	0	113	V519 T520 S527 F554 V610 M614	V519-C523 PolarHBondContact O-N 3.25Å; V519-C523 PolarHBondContact O-SG 3.36Å; T520-C523 PolarHBondContact O-N 2.76Å; C523-S527 VanDerWaalsContact O-CB 3.31Å; C523-S527 WeakPolarHBondContact O-CB 3.35Å; C523-S527 PolarHBondContact O-N 3.11Å; C523-S527 PolarHBondContact O-OG 3.35Å; C523-F554 VanDerWaalsContact SG-CE2 3.55Å; C523-V610 HydrophobicContact CB-CG1 3.85Å; C523-M614 HydrophobicContact CB-CG 3.33Å; C523-M614 HydrophobicContact CB-SD 3.33Å; C523-M614 WeakPolarHBondContact CB-SD 3.32Å; C523-M614 VanDerWaalsContact SG-CG 3.56Å; C523-M614 VanDerWaalsContact SG-SD 3.63Å
524	K	92.3	Very high	89.4	Confident	126 Å²	126	47.3 Å²	47.3	55%	0.548	26%	0.255	S	S	.	.	H	α-helix	trans	-62.7	-47.2	174	-71.6	170.9	-175.8	168.1	0	110.8	T520 N521 S527 G528	T520-K524 WeakPolarHBondContact O-CG 3.25Å; T520-K524 PolarHBondContact O-N 3.14Å; T520-K524 VanDerWaalsContact O-N 3.08Å; N521-K524 PolarHBondContact O-N 3.5Å; N521-K524 PolarHBondContact OD1-NZ 3.42Å; K524-S527 PolarHBondContact O-N 3Å; K524-G528 PolarHBondContact O-N 3.32Å
525	A	91.6	Very high	89.1	Confident	50 Å²	50	53.1 Å²	53.1	41%	0.413	28%	0.28	S	S	.	.	H	α-helix	trans	-59	-48.2	178.1	0	0	0	0	0	112.1	N521 M522 S527 G528 L529	N521-A525 PolarHBondContact O-N 2.98Å; M522-A525 PolarHBondContact O-N 3.24Å; A525-S527 VanDerWaalsContact C-N 3.32Å; A525-S527 PolarHBondContact O-N 3.09Å; A525-G528 PolarHBondContact O-N 2.98Å; A525-L529 WeakPolarHBondContact O-CB 3.38Å; A525-L529 PolarHBondContact O-N 2.87Å
526	L	93.8	Very high	88.3	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.7	-39.6	174.6	-84.9	174.1	0	0	0	112.7	M522 L529 L530 L547 N550 L551 F554 V610	M522-L526 PolarHBondContact O-N 3.02Å; L526-L529 PolarHBondContact O-N 3.36Å; L526-L530 WeakPolarHBondContact O-CB 3.32Å; L526-L530 WeakPolarHBondContact O-CD1 3.49Å; L526-L530 WeakPolarHBondContact O-CG 3.45Å; L526-L530 PolarHBondContact O-N 2.61Å; L526-L547 HydrophobicContact CD2-CD1 3.96Å; L526-N550 HydrophobicContact CD2-CB 3.68Å; L526-N550 HydrophobicContact CG-CB 4.5Å; L526-L551 HydrophobicContact CD1-CD2 4.08Å; L526-L551 HydrophobicContact CD2-CD2 4.12Å; L526-L551 HydrophobicContact CD2-CG 4.34Å; L526-F554 HydrophobicContact CD1-CB 3.55Å; L526-F554 HydrophobicContact CD1-CD1 3.78Å; L526-F554 HydrophobicContact CD1-CD2 3.81Å; L526-F554 HydrophobicContact CD1-CE1 4.37Å; L526-F554 HydrophobicContact CD1-CE2 4.4Å; L526-F554 HydrophobicContact CD1-CG 3.44Å; L526-F554 VanDerWaalsContact CD1-CG 3.44Å; L526-V610 HydrophobicContact CB-CG1 4.34Å; L526-V610 HydrophobicContact CB-CG2 4.18Å; L526-V610 HydrophobicContact CD1-CG2 3.81Å
527	S	92.3	Very high	87.2	Confident	53 Å²	53	59 Å²	59	37%	0.371	30%	0.302	S	S	.	.	H	α-helix	trans	-68	-36.9	179.7	-60.3	0	0	0	0	112.3	C523 K524 A525 S531	C523-S527 VanDerWaalsContact O-CB 3.31Å; C523-S527 WeakPolarHBondContact O-CB 3.35Å; C523-S527 PolarHBondContact O-N 3.11Å; C523-S527 PolarHBondContact O-OG 3.35Å; K524-S527 PolarHBondContact O-N 3Å; A525-S527 VanDerWaalsContact C-N 3.32Å; A525-S527 PolarHBondContact O-N 3.09Å; S527-S531 PolarHBondContact O-N 2.87Å; S527-S531 VanDerWaalsContact O-N 3.11Å
528	G	90.7	Very high	85.8	Confident	31 Å²	31	57.2 Å²	57.2	32%	0.32	30%	0.299	S	S	.	.	H	α-helix	trans	-62.5	-51.9	171.2	0	0	0	0	0	111.8	K524 A525 L530 S531 E532	K524-G528 PolarHBondContact O-N 3.32Å; A525-G528 PolarHBondContact O-N 2.98Å; G528-L530 VanDerWaalsContact C-N 3.33Å; G528-L530 PolarHBondContact O-N 2.98Å; G528-S531 WeakPolarHBondContact O-CA 3.5Å; G528-S531 VanDerWaalsContact O-CB 3.27Å; G528-S531 WeakPolarHBondContact O-CB 3.41Å; G528-S531 PolarHBondContact O-N 2.79Å; G528-E532 PolarHBondContact O-N 2.83Å
529	L	90.7	Very high	84.9	Confident	8 Å²	8	56.8 Å²	56.8	4%	0.042	29%	0.294	C	S	.	.	H	α-helix	trans	-60.1	-39	179.3	-174.7	150.6	0	0	0	112.8	A525 L526 S531 E532 M533 R546 L547	A525-L529 WeakPolarHBondContact O-CB 3.38Å; A525-L529 PolarHBondContact O-N 2.87Å; L526-L529 PolarHBondContact O-N 3.36Å; L529-S531 VanDerWaalsContact C-N 3.31Å; L529-S531 PolarHBondContact O-N 3.06Å; L529-E532 PolarHBondContact O-N 2.87Å; L529-M533 HydrophobicContact CD2-SD 3.52Å; L529-M533 VanDerWaalsContact CD2-SD 3.52Å; L529-M533 HydrophobicContact CG-SD 4.45Å; L529-M533 WeakPolarHBondContact O-CG 3.49Å; L529-M533 PolarHBondContact O-N 2.79Å; L529-M533 VanDerWaalsContact O-N 3.07Å; L529-R546 HydrophobicContact CD1-CG 4.08Å; L529-L547 HydrophobicContact CD2-CB 4Å; L529-L547 HydrophobicContact CD2-CD1 3.59Å; L529-L547 HydrophobicContact CD2-CG 4.29Å
530	L	90.2	Very high	84	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-68.4	-27.9	172.8	-69.9	166.6	0	0	0	112.9	L526 G528 K534 L547 L603 I606 E607	L526-L530 WeakPolarHBondContact O-CB 3.32Å; L526-L530 WeakPolarHBondContact O-CD1 3.49Å; L526-L530 WeakPolarHBondContact O-CG 3.45Å; L526-L530 PolarHBondContact O-N 2.61Å; G528-L530 VanDerWaalsContact C-N 3.33Å; G528-L530 PolarHBondContact O-N 2.98Å; L530-K534 VanDerWaalsContact O-CG 3.25Å; L530-K534 WeakPolarHBondContact O-CG 3.49Å; L530-K534 PolarHBondContact O-N 2.99Å; L530-L547 HydrophobicContact CD2-CD1 4.02Å; L530-L547 HydrophobicContact CD2-CD2 4.07Å; L530-L603 HydrophobicContact CD2-CD2 3.61Å; L530-I606 HydrophobicContact CD1-CG2 3.96Å; L530-I606 HydrophobicContact CD2-CB 4.31Å; L530-I606 HydrophobicContact CD2-CG2 4.04Å; L530-E607 HydrophobicContact CD1-CB 4.02Å; L530-E607 HydrophobicContact CD1-CG 4.37Å
531	S	87.4	Confident	83.2	Confident	60 Å²	60	62 Å²	62	42%	0.42	33%	0.331	S	S	.	.	H	α-helix	trans	-73.8	-42.8	174.9	-169.1	0	0	0	0	111.5	S527 G528 L529 K534 Q535	S527-S531 PolarHBondContact O-N 2.87Å; S527-S531 VanDerWaalsContact O-N 3.11Å; G528-S531 WeakPolarHBondContact O-CA 3.5Å; G528-S531 VanDerWaalsContact O-CB 3.27Å; G528-S531 WeakPolarHBondContact O-CB 3.41Å; G528-S531 PolarHBondContact O-N 2.79Å; L529-S531 VanDerWaalsContact C-N 3.31Å; L529-S531 PolarHBondContact O-N 3.06Å; S531-K534 PolarHBondContact O-N 3.38Å; S531-Q535 WeakPolarHBondContact O-CG 3.43Å; S531-Q535 PolarHBondContact O-N 2.96Å
532	E	85	Confident	82.5	Confident	81 Å²	81	62.4 Å²	62.4	38%	0.379	34%	0.339	S	S	.	.	H	α-helix	trans	-57.7	-52.8	173.3	-67.9	163.6	-147.6	0	0	110.7	G528 L529 K534 Q535 E536 R546	G528-E532 PolarHBondContact O-N 2.83Å; L529-E532 PolarHBondContact O-N 2.87Å; E532-K534 PolarHBondContact O-N 3.38Å; E532-Q535 WeakPolarHBondContact O-CB 3.28Å; E532-Q535 PolarHBondContact O-N 3.41Å; E532-E536 PolarHBondContact O-N 3.07Å; E532-R546 IonicContact OE2-CZ 3.56Å; E532-R546 IonicContact OE2-NH1 3.54Å; E532-R546 IonicContact OE2-NH2 3.03Å; E532-R546 PolarHBondContact OE2-NH2 3.31Å
533	M	84.5	Confident	82.1	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.015	34%	0.337	C	S	.	.	H	α-helix	trans	-61.7	-28.7	-179.1	-69.8	175.9	64.6	0	0	113.7	L529 R537 L539 N543 L547 L603	L529-M533 HydrophobicContact CD2-SD 3.52Å; L529-M533 VanDerWaalsContact CD2-SD 3.52Å; L529-M533 HydrophobicContact CG-SD 4.45Å; L529-M533 WeakPolarHBondContact O-CG 3.49Å; L529-M533 PolarHBondContact O-N 2.79Å; L529-M533 VanDerWaalsContact O-N 3.07Å; M533-R537 PolarHBondContact O-N 2.99Å; M533-L539 HydrophobicContact CE-CD2 3.41Å; M533-L539 VanDerWaalsContact CE-CD2 3.41Å; M533-N543 HydrophobicContact CE-CB 3.73Å; M533-N543 HydrophobicContact CG-CB 4.24Å; M533-N543 HydrophobicContact SD-CB 4.15Å; M533-L547 HydrophobicContact CE-CB 4.29Å; M533-L547 HydrophobicContact CE-CD2 3.79Å; M533-L547 HydrophobicContact SD-CB 4.06Å; M533-L547 HydrophobicContact SD-CD2 3.99Å; M533-L603 HydrophobicContact CE-CD2 4.09Å
534	K	81.4	Confident	81.7	Confident	84 Å²	84	62.3 Å²	62.3	37%	0.365	34%	0.34	S	S	.	.	H	α-helix	trans	-71.9	-32.9	172.6	-77.2	172.5	-176.4	179.6	0	112.9	L530 S531 E532 L603 E607	L530-K534 VanDerWaalsContact O-CG 3.25Å; L530-K534 WeakPolarHBondContact O-CG 3.49Å; L530-K534 PolarHBondContact O-N 2.99Å; S531-K534 PolarHBondContact O-N 3.38Å; E532-K534 PolarHBondContact O-N 3.38Å; K534-L603 HydrophobicContact CG-CD1 4.37Å; K534-E607 IonicContact NZ-OE2 2.68Å; K534-E607 PolarHBondContact NZ-OE2 3.24Å
535	Q	75.2	Confident	81.3	Confident	153 Å²	153	61 Å²	61	72%	0.715	34%	0.338	S	S	*	.	H	α-helix	trans	-72.6	-38.9	176.7	-69.2	175.6	0.5	0	0	111.2	S531 E532 R537	S531-Q535 WeakPolarHBondContact O-CG 3.43Å; S531-Q535 PolarHBondContact O-N 2.96Å; E532-Q535 WeakPolarHBondContact O-CB 3.28Å; E532-Q535 PolarHBondContact O-N 3.41Å; Q535-R537 PolarHBondContact O-N 3.05Å
536	E	69.4	Low	81.1	Confident	95 Å²	95	62.7 Å²	62.7	44%	0.444	33%	0.334	S	S	.	.	S	Bend	trans	-70.2	-10.3	178	-67.3	178.8	180	0	0	114	E532 T538 N543	E532-E536 PolarHBondContact O-N 3.07Å; E536-T538 PolarHBondContact O-N 2.97Å; E536-T538 PolarHBondContact O-OG1 2.83Å; E536-N543 PolarHBondContact OE2-ND2 3.07Å
537	R	64.8	Low	80.9	Confident	212 Å²	212	62.7 Å²	62.7	80%	0.8	33%	0.334	S	S	*	.			trans	50	13.9	178.6	-65.6	-171.2	179.4	-168.4	0.8	115.9	M533 Q535	M533-R537 PolarHBondContact O-N 2.99Å; Q535-R537 PolarHBondContact O-N 3.05Å
538	T	60.8	Low	80.9	Confident	83 Å²	83	60.7 Å²	60.7	51%	0.509	32%	0.32	S	S	.	.			trans	-138.4	120	-172.4	49.7	0	0	0	0	111.1	E536 S540	E536-T538 PolarHBondContact O-N 2.97Å; E536-T538 PolarHBondContact O-OG1 2.83Å; T538-S540 PolarHBondContact O-N 2.94Å
539	L	70.8	Confident	80.8	Confident	30 Å²	30	64.9 Å²	64.9	16%	0.157	33%	0.331	C	S	.	.			trans	-80.6	71.4	168.1	-76.7	175.3	0	0	0	109.4	M533 Y590 L603	M533-L539 HydrophobicContact CE-CD2 3.41Å; M533-L539 VanDerWaalsContact CE-CD2 3.41Å; L539-Y590 HydrophobicContact CB-CD1 3.99Å; L539-Y590 HydrophobicContact CB-CE1 3.65Å; L539-Y590 HydrophobicContact CD1-CD1 4.19Å; L539-Y590 HydrophobicContact CD1-CD2 4.07Å; L539-Y590 HydrophobicContact CD1-CE1 3.82Å; L539-Y590 HydrophobicContact CD1-CE2 3.66Å; L539-Y590 HydrophobicContact CD1-CG 4.33Å; L539-Y590 HydrophobicContact CG-CE1 4.4Å; L539-L603 HydrophobicContact CD2-CD1 4.1Å; L539-L603 HydrophobicContact CD2-CD2 4.1Å; L539-L603 HydrophobicContact CD2-CG 4.2Å
540	S	73.9	Confident	80.9	Confident	40 Å²	40	66.2 Å²	66.2	28%	0.28	34%	0.338	S	S	.	.			trans	-63.8	149.7	172	67	0	0	0	0	110.7	T538 S542 N543 C544	T538-S540 PolarHBondContact O-N 2.94Å; S540-S542 PolarHBondContact O-N 2.96Å; S540-S542 PolarHBondContact OG-OG 3.35Å; S540-N543 PolarHBondContact O-N 3.48Å; S540-N543 WeakPolarHBondContact OG-CB 3.33Å; S540-N543 VanDerWaalsContact OG-CG 3.26Å; S540-N543 PolarHBondContact OG-N 2.66Å; S540-N543 PolarHBondContact OG-ND2 3.41Å; S540-C544 PolarHBondContact O-N 2.93Å
541	S	73.5	Confident	81.1	Confident	95 Å²	95	66.2 Å²	66.2	66%	0.664	34%	0.338	S	S	*	.	H	α-helix	trans	-57	-35.8	179.8	-48.3	0	0	0	0	112.5	C544 I545	S541-C544 PolarHBondContact O-N 2.84Å; S541-I545 WeakPolarHBondContact O-CD1 3.29Å; S541-I545 VanDerWaalsContact O-CG1 3.23Å; S541-I545 WeakPolarHBondContact O-CG1 3.41Å; S541-I545 PolarHBondContact O-N 2.8Å
542	S	78.8	Confident	81.3	Confident	79 Å²	79	67.2 Å²	67.2	55%	0.552	34%	0.336	S	S	*	.	H	α-helix	trans	-64.5	-44.4	174.7	47.9	0	0	0	0	112.3	S540 I545 R546	S540-S542 PolarHBondContact O-N 2.96Å; S540-S542 PolarHBondContact OG-OG 3.35Å; S542-I545 PolarHBondContact O-N 2.83Å; S542-R546 VanDerWaalsContact O-CB 3.28Å; S542-R546 WeakPolarHBondContact O-CB 3.24Å; S542-R546 PolarHBondContact O-N 2.87Å
543	N	83.7	Confident	81.7	Confident	14 Å²	14	68.2 Å²	68.2	8%	0.075	34%	0.341	C	S	.	.	H	α-helix	trans	-67.3	-38.1	176.2	-75.5	-19.2	0	0	0	112.1	M533 E536 S540 R546 L547	M533-N543 HydrophobicContact CE-CB 3.73Å; M533-N543 HydrophobicContact CG-CB 4.24Å; M533-N543 HydrophobicContact SD-CB 4.15Å; E536-N543 PolarHBondContact OE2-ND2 3.07Å; S540-N543 PolarHBondContact O-N 3.48Å; S540-N543 WeakPolarHBondContact OG-CB 3.33Å; S540-N543 VanDerWaalsContact OG-CG 3.26Å; S540-N543 PolarHBondContact OG-N 2.66Å; S540-N543 PolarHBondContact OG-ND2 3.41Å; N543-R546 PolarHBondContact O-N 2.96Å; N543-L547 VanDerWaalsContact O-CB 3.28Å; N543-L547 WeakPolarHBondContact O-CB 3.49Å; N543-L547 PolarHBondContact O-N 2.91Å
544	C	84.6	Confident	82.2	Confident	10 Å²	10	68 Å²	68	7%	0.068	34%	0.34	C	S	.	.	H	α-helix	trans	-62.1	-43	173.9	-71.9	0	0	0	0	112.4	S540 S541 C548	S540-C544 PolarHBondContact O-N 2.93Å; S541-C544 PolarHBondContact O-N 2.84Å; C544-C548 WeakPolarHBondContact O-CB 3.47Å; C544-C548 PolarHBondContact O-N 2.85Å; C544-C548 PolarHBondContact O-SG 2.88Å
545	I	83.8	Confident	82.7	Confident	100 Å²	100	67.1 Å²	67.1	51%	0.513	34%	0.336	S	S	.	.	H	α-helix	trans	-62.6	-52.2	175	-69.4	162.4	0	0	0	110.4	S541 S542 L547 C548 E549	S541-I545 WeakPolarHBondContact O-CD1 3.29Å; S541-I545 VanDerWaalsContact O-CG1 3.23Å; S541-I545 WeakPolarHBondContact O-CG1 3.41Å; S541-I545 PolarHBondContact O-N 2.8Å; S542-I545 PolarHBondContact O-N 2.83Å; I545-L547 VanDerWaalsContact C-N 3.29Å; I545-L547 PolarHBondContact O-N 3.38Å; I545-C548 WeakPolarHBondContact O-CB 3.29Å; I545-C548 PolarHBondContact O-N 2.82Å; I545-E549 PolarHBondContact O-N 3.05Å
546	R	87.4	Confident	83.5	Confident	85 Å²	85	69.3 Å²	69.3	32%	0.321	34%	0.337	S	S	.	.	H	α-helix	trans	-56.1	-41.3	179.1	-175.9	-172.1	153.2	-157.6	-5.1	112	L529 E532 S542 N543 N550	L529-R546 HydrophobicContact CD1-CG 4.08Å; E532-R546 IonicContact OE2-CZ 3.56Å; E532-R546 IonicContact OE2-NH1 3.54Å; E532-R546 IonicContact OE2-NH2 3.03Å; E532-R546 PolarHBondContact OE2-NH2 3.31Å; S542-R546 VanDerWaalsContact O-CB 3.28Å; S542-R546 WeakPolarHBondContact O-CB 3.24Å; S542-R546 PolarHBondContact O-N 2.87Å; N543-R546 PolarHBondContact O-N 2.96Å; R546-N550 PolarHBondContact O-N 3.09Å; R546-N550 PolarHBondContact O-ND2 2.97Å
547	L	90.8	Very high	84.6	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-69.1	-40.6	174.9	179	56.9	0	0	0	112.1	L526 L529 L530 M533 N543 I545 E549 N550 L551 L587 L603 I606	L526-L547 HydrophobicContact CD2-CD1 3.96Å; L529-L547 HydrophobicContact CD2-CB 4Å; L529-L547 HydrophobicContact CD2-CD1 3.59Å; L529-L547 HydrophobicContact CD2-CG 4.29Å; L530-L547 HydrophobicContact CD2-CD1 4.02Å; L530-L547 HydrophobicContact CD2-CD2 4.07Å; M533-L547 HydrophobicContact CE-CB 4.29Å; M533-L547 HydrophobicContact CE-CD2 3.79Å; M533-L547 HydrophobicContact SD-CB 4.06Å; M533-L547 HydrophobicContact SD-CD2 3.99Å; N543-L547 VanDerWaalsContact O-CB 3.28Å; N543-L547 WeakPolarHBondContact O-CB 3.49Å; N543-L547 PolarHBondContact O-N 2.91Å; I545-L547 VanDerWaalsContact C-N 3.29Å; I545-L547 PolarHBondContact O-N 3.38Å; L547-E549 PolarHBondContact O-N 3.33Å; L547-N550 PolarHBondContact O-N 3.43Å; L547-L551 HydrophobicContact CD1-CD1 4.11Å; L547-L551 HydrophobicContact CD1-CG 4.09Å; L547-L551 HydrophobicContact CG-CD1 4.03Å; L547-L551 HydrophobicContact CG-CG 4.45Å; L547-L551 WeakPolarHBondContact O-CB 3.44Å; L547-L551 VanDerWaalsContact O-CG 3.29Å; L547-L551 WeakPolarHBondContact O-CG 3.5Å; L547-L551 PolarHBondContact O-N 2.9Å; L547-L587 HydrophobicContact CB-CD1 4.33Å; L547-L587 HydrophobicContact CD2-CD1 3.68Å; L547-L587 HydrophobicContact CD2-CD2 3.9Å; L547-L587 HydrophobicContact CD2-CG 4.45Å; L547-L587 HydrophobicContact CG-CD1 3.68Å; L547-L603 HydrophobicContact CD2-CD2 3.96Å; L547-I606 HydrophobicContact CD2-CD1 3.95Å
548	C	90.9	Very high	85.9	Confident	10 Å²	10	55.9 Å²	55.9	7%	0.068	29%	0.286	C	S	.	.	H	α-helix	trans	-60.5	-42.6	175.1	-73.3	0	0	0	0	112.7	C544 I545 L551 H552 L587	C544-C548 WeakPolarHBondContact O-CB 3.47Å; C544-C548 PolarHBondContact O-N 2.85Å; C544-C548 PolarHBondContact O-SG 2.88Å; I545-C548 WeakPolarHBondContact O-CB 3.29Å; I545-C548 PolarHBondContact O-N 2.82Å; C548-L551 PolarHBondContact O-N 3.18Å; C548-H552 PolarHBondContact O-N 3.27Å; C548-H552 PolarHBondContact O-ND1 2.94Å; C548-L587 WeakPolarHBondContact SG-CB 3.36Å
549	E	89.6	Confident	87.3	Confident	120 Å²	120	54.8 Å²	54.8	56%	0.561	28%	0.281	S	S	*	.	H	α-helix	trans	-61.5	-47.4	177	-69.9	178.3	158.6	0	0	111.6	I545 L547 L551 H552 Q553	I545-E549 PolarHBondContact O-N 3.05Å; L547-E549 PolarHBondContact O-N 3.33Å; E549-L551 VanDerWaalsContact C-N 3.34Å; E549-L551 PolarHBondContact O-N 3.46Å; E549-H552 PolarHBondContact O-N 3.3Å; E549-Q553 PolarHBondContact O-N 3.29Å
550	N	92.3	Very high	88.2	Confident	35 Å²	35	55.4 Å²	55.4	19%	0.187	29%	0.291	C	S	.	.	H	α-helix	trans	-63.8	-38.1	176.7	-80.4	-94.4	0	0	0	111.9	L526 R546 L547 Q553 F554	L526-N550 HydrophobicContact CD2-CB 3.68Å; L526-N550 HydrophobicContact CG-CB 4.5Å; R546-N550 PolarHBondContact O-N 3.09Å; R546-N550 PolarHBondContact O-ND2 2.97Å; L547-N550 PolarHBondContact O-N 3.43Å; N550-Q553 PolarHBondContact O-N 3.09Å; N550-F554 WeakPolarHBondContact O-CB 3.39Å; N550-F554 PolarHBondContact O-N 3.44Å
551	L	94.6	Very high	89.1	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-66.5	-38.6	174.8	-74	172.6	0	0	0	112.7	L526 L547 C548 E549 K555 V580 H583 V584 L587 I606	L526-L551 HydrophobicContact CD1-CD2 4.08Å; L526-L551 HydrophobicContact CD2-CD2 4.12Å; L526-L551 HydrophobicContact CD2-CG 4.34Å; L547-L551 HydrophobicContact CD1-CD1 4.11Å; L547-L551 HydrophobicContact CD1-CG 4.09Å; L547-L551 HydrophobicContact CG-CD1 4.03Å; L547-L551 HydrophobicContact CG-CG 4.45Å; L547-L551 WeakPolarHBondContact O-CB 3.44Å; L547-L551 VanDerWaalsContact O-CG 3.29Å; L547-L551 WeakPolarHBondContact O-CG 3.5Å; L547-L551 PolarHBondContact O-N 2.9Å; C548-L551 PolarHBondContact O-N 3.18Å; E549-L551 VanDerWaalsContact C-N 3.34Å; E549-L551 PolarHBondContact O-N 3.46Å; L551-K555 WeakPolarHBondContact O-CB 3.35Å; L551-K555 PolarHBondContact O-N 2.95Å; L551-V580 HydrophobicContact CB-CG1 4.06Å; L551-V580 HydrophobicContact CD2-CG1 4.21Å; L551-H583 HydrophobicContact CD1-CB 4.49Å; L551-V584 HydrophobicContact CB-CG2 3.67Å; L551-V584 HydrophobicContact CD1-CG2 3.97Å; L551-V584 HydrophobicContact CG-CG2 4.49Å; L551-L587 HydrophobicContact CD1-CD1 3.63Å; L551-I606 HydrophobicContact CD1-CD1 4.33Å; L551-I606 HydrophobicContact CD1-CG2 4.32Å; L551-I606 HydrophobicContact CD2-CG2 3.87Å
552	H	92.7	Very high	89.8	Confident	81 Å²	81	50.5 Å²	50.5	38%	0.375	25%	0.252	S	S	.	.	H	α-helix	trans	-64.2	-43.1	172	-71	145.6	0	0	0	112.1	C548 E549 K555 R556	C548-H552 PolarHBondContact O-N 3.27Å; C548-H552 PolarHBondContact O-ND1 2.94Å; E549-H552 PolarHBondContact O-N 3.3Å; H552-K555 PolarHBondContact O-N 3.37Å; H552-R556 WeakPolarHBondContact O-CG 3.34Å; H552-R556 PolarHBondContact O-N 2.87Å
553	Q	91.9	Very high	90.1	Very high	101 Å²	101	51.8 Å²	51.8	47%	0.472	25%	0.25	S	C	.	.	H	α-helix	trans	-64.5	-43.8	177.3	-171.6	175.3	1.9	0	0	111.3	M522 E549 N550 K555 R556 V557	M522-Q553 HydrophobicContact CE-CG 3.83Å; M522-Q553 HydrophobicContact SD-CG 4.36Å; E549-Q553 PolarHBondContact O-N 3.29Å; N550-Q553 PolarHBondContact O-N 3.09Å; Q553-K555 PolarHBondContact O-N 2.97Å; Q553-R556 PolarHBondContact O-N 3.47Å; Q553-V557 WeakPolarHBondContact O-CG2 3.43Å; Q553-V557 PolarHBondContact O-N 3.32Å
554	F	94.4	Very high	90.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-57.5	-44.9	172	172.7	-113.1	0	0	0	112.6	M522 C523 L526 N550 R556 V557 C558 V580 V610 V613	M522-F554 HydrophobicContact CB-CD2 4.32Å; M522-F554 HydrophobicContact CG-CB 3.76Å; M522-F554 HydrophobicContact CG-CD2 3.75Å; M522-F554 HydrophobicContact CG-CG 4.26Å; C523-F554 VanDerWaalsContact SG-CE2 3.55Å; L526-F554 HydrophobicContact CD1-CB 3.55Å; L526-F554 HydrophobicContact CD1-CD1 3.78Å; L526-F554 HydrophobicContact CD1-CD2 3.81Å; L526-F554 HydrophobicContact CD1-CE1 4.37Å; L526-F554 HydrophobicContact CD1-CE2 4.4Å; L526-F554 HydrophobicContact CD1-CG 3.44Å; L526-F554 VanDerWaalsContact CD1-CG 3.44Å; N550-F554 WeakPolarHBondContact O-CB 3.39Å; N550-F554 PolarHBondContact O-N 3.44Å; F554-R556 PolarHBondContact O-N 3.21Å; F554-V557 PolarHBondContact O-N 2.97Å; F554-C558 VanDerWaalsContact CD2-SG 3.54Å; F554-C558 WeakPolarHBondContact CE2-SG 3.45Å; F554-C558 VanDerWaalsContact O-CB 3.32Å; F554-C558 WeakPolarHBondContact O-CB 3.41Å; F554-C558 PolarHBondContact O-N 3.5Å; F554-C558 PolarHBondContact O-SG 3.45Å; F554-V580 HydrophobicContact CD1-CG2 4.02Å; F554-V580 HydrophobicContact CE1-CG2 3.79Å; F554-V610 HydrophobicContact CE1-CG2 4.36Å; F554-V610 HydrophobicContact CZ-CG2 4.36Å; F554-V613 HydrophobicContact CE1-CG2 4.45Å; F554-V613 HydrophobicContact CE2-CB 4.47Å; F554-V613 HydrophobicContact CE2-CG1 4.01Å; F554-V613 HydrophobicContact CZ-CB 3.86Å; F554-V613 HydrophobicContact CZ-CG1 3.84Å; F554-V613 HydrophobicContact CZ-CG2 3.8Å
555	K	93	Very high	90	Very high	65 Å²	65	59.9 Å²	59.9	28%	0.283	28%	0.283	S	S	.	.	H	α-helix	trans	-58.5	-46.7	175.5	-170.9	-169.1	-178.7	-176.1	0	111.5	L551 H552 Q553 S559 L577 V580 D581	L551-K555 WeakPolarHBondContact O-CB 3.35Å; L551-K555 PolarHBondContact O-N 2.95Å; H552-K555 PolarHBondContact O-N 3.37Å; Q553-K555 PolarHBondContact O-N 2.97Å; K555-S559 VanDerWaalsContact O-CB 3.25Å; K555-S559 WeakPolarHBondContact O-CB 3.33Å; K555-S559 PolarHBondContact O-N 3.22Å; K555-L577 HydrophobicContact CB-CD2 4.17Å; K555-L577 HydrophobicContact CG-CB 4.47Å; K555-L577 HydrophobicContact CG-CD2 3.75Å; K555-V580 HydrophobicContact CB-CG1 4.25Å; K555-D581 WeakPolarHBondContact CD-OD1 3.47Å; K555-D581 WeakPolarHBondContact CE-OD1 3.34Å; K555-D581 VanDerWaalsContact CE-OD2 3.31Å; K555-D581 WeakPolarHBondContact CE-OD2 3.48Å; K555-D581 IonicContact NZ-OD1 2.68Å; K555-D581 PolarHBondContact NZ-OD1 2.94Å; K555-D581 IonicContact NZ-OD2 3.62Å; K555-D581 PolarHBondContact NZ-OD2 2.9Å
556	R	91.9	Very high	89.8	Confident	198 Å²	198	58.7 Å²	58.7	75%	0.747	28%	0.283	S	S	*	.	H	α-helix	trans	-59.6	-49.3	177.6	-74.2	177.7	61.9	-173.4	-2.5	112.1	H552 Q553 F554 S559 A560	H552-R556 WeakPolarHBondContact O-CG 3.34Å; H552-R556 PolarHBondContact O-N 2.87Å; Q553-R556 PolarHBondContact O-N 3.47Å; F554-R556 PolarHBondContact O-N 3.21Å; R556-S559 PolarHBondContact O-N 2.88Å; R556-A560 PolarHBondContact O-N 3.38Å
557	V	91.9	Very high	89.1	Confident	26 Å²	26	59.8 Å²	59.8	16%	0.158	30%	0.301	C	S	.	.	H	α-helix	trans	-64.1	-46	-179.5	172.6	0	0	0	0	111	V514 V519 Q553 F554 S559 A560 Y561	V514-V557 HydrophobicContact CG1-CG1 3.99Å; V514-V557 WeakPolarHBondContact CG1-O 3.42Å; V519-V557 HydrophobicContact CG2-CG1 4.06Å; Q553-V557 WeakPolarHBondContact O-CG2 3.43Å; Q553-V557 PolarHBondContact O-N 3.32Å; F554-V557 PolarHBondContact O-N 2.97Å; V557-S559 PolarHBondContact O-N 3.37Å; V557-A560 PolarHBondContact O-N 2.82Å; V557-Y561 PolarHBondContact O-N 3.24Å
558	C	92.6	Very high	88	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-64.7	-40.3	177	-68.4	0	0	0	0	112.7	F554 A560 Y561 A562 F573 L577	F554-C558 VanDerWaalsContact CD2-SG 3.54Å; F554-C558 WeakPolarHBondContact CE2-SG 3.45Å; F554-C558 VanDerWaalsContact O-CB 3.32Å; F554-C558 WeakPolarHBondContact O-CB 3.41Å; F554-C558 PolarHBondContact O-N 3.5Å; F554-C558 PolarHBondContact O-SG 3.45Å; C558-A560 VanDerWaalsContact C-N 3.34Å; C558-A560 PolarHBondContact O-N 3.16Å; C558-Y561 PolarHBondContact O-N 3.36Å; C558-A562 VanDerWaalsContact O-CB 3.29Å; C558-A562 WeakPolarHBondContact O-CB 3.41Å; C558-A562 PolarHBondContact O-N 3.22Å; C558-F573 HydrophobicContact CB-CD1 4.25Å; C558-F573 HydrophobicContact CB-CE1 4.32Å; C558-L577 HydrophobicContact CB-CD1 4.27Å; C558-L577 HydrophobicContact CB-CD2 3.6Å; C558-L577 HydrophobicContact CB-CG 4.39Å
559	S	91.1	Very high	87.3	Confident	59 Å²	59	67.8 Å²	67.8	41%	0.413	34%	0.34	S	S	.	.	H	α-helix	trans	-63.9	-39.2	177.4	-167.7	0	0	0	0	111.9	K555 R556 V557 A562	K555-S559 VanDerWaalsContact O-CB 3.25Å; K555-S559 WeakPolarHBondContact O-CB 3.33Å; K555-S559 PolarHBondContact O-N 3.22Å; R556-S559 PolarHBondContact O-N 2.88Å; V557-S559 PolarHBondContact O-N 3.37Å; S559-A562 PolarHBondContact O-N 2.97Å
560	A	89.8	Confident	86.9	Confident	44 Å²	44	64.8 Å²	64.8	36%	0.364	33%	0.325	S	S	.	.	H	α-helix	trans	-70.1	-34.2	175.9	0	0	0	0	0	112.7	V514 R556 V557 C558	V514-A560 HydrophobicContact CB-CB 4.12Å; V514-A560 HydrophobicContact CG1-CB 4.29Å; V514-A560 HydrophobicContact CG2-CB 3.85Å; R556-A560 PolarHBondContact O-N 3.38Å; V557-A560 PolarHBondContact O-N 2.82Å; C558-A560 VanDerWaalsContact C-N 3.34Å; C558-A560 PolarHBondContact O-N 3.16Å
561	Y	91	Very high	86.1	Confident	28 Å²	28	69.1 Å²	69.1	11%	0.11	34%	0.343	C	S	.	.	H	α-helix	trans	-71.9	-35	173.4	-175	-104.2	0	0	0	112.6	R516 V519 V557 C558 E563 R564 V565 F573 V617	R516-Y561 HydrophobicContact CB-CE2 4.07Å; V519-Y561 HydrophobicContact CG2-CD1 3.87Å; V519-Y561 HydrophobicContact CG2-CD2 4.07Å; V519-Y561 HydrophobicContact CG2-CG 3.55Å; V557-Y561 PolarHBondContact O-N 3.24Å; C558-Y561 PolarHBondContact O-N 3.36Å; Y561-E563 PolarHBondContact O-N 3.27Å; Y561-R564 WeakPolarHBondContact O-CB 3.42Å; Y561-R564 PolarHBondContact O-N 2.95Å; Y561-V565 HydrophobicContact CD1-CG1 4.17Å; Y561-V565 HydrophobicContact CE1-CG1 3.67Å; Y561-F573 HydrophobicContact CD1-CE1 4.21Å; Y561-F573 AromaticContact CD1-CE2 3.9Å; Y561-F573 HydrophobicContact CD1-CE2 3.9Å; Y561-F573 AromaticContact CD1-CZ 3.49Å; Y561-F573 HydrophobicContact CD1-CZ 3.49Å; Y561-F573 VanDerWaalsContact CD1-CZ 3.49Å; Y561-F573 HydrophobicContact CE1-CE2 4.05Å; Y561-F573 AromaticContact CE1-CZ 3.78Å; Y561-F573 HydrophobicContact CE1-CZ 3.78Å; Y561-V617 HydrophobicContact CE1-CG2 4.16Å
562	A	88.6	Confident	85.4	Confident	3 Å²	3	73.1 Å²	73.1	3%	0.025	36%	0.357	C	S	.	.	H	α-helix	trans	-62.2	-23.7	-179.7	0	0	0	0	0	113.6	C558 S559 R564 V565 K570 F573	C558-A562 VanDerWaalsContact O-CB 3.29Å; C558-A562 WeakPolarHBondContact O-CB 3.41Å; C558-A562 PolarHBondContact O-N 3.22Å; S559-A562 PolarHBondContact O-N 2.97Å; A562-R564 PolarHBondContact O-N 3.28Å; A562-V565 WeakPolarHBondContact O-CG2 3.33Å; A562-K570 WeakPolarHBondContact O-CB 3.42Å; A562-K570 WeakPolarHBondContact O-CG 3.42Å; A562-F573 HydrophobicContact CB-CB 3.54Å; A562-F573 HydrophobicContact CB-CD1 4.31Å; A562-F573 HydrophobicContact CB-CD2 3.98Å; A562-F573 HydrophobicContact CB-CG 3.7Å
563	E	85.9	Confident	85.2	Confident	107 Å²	107	69.3 Å²	69.3	50%	0.5	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-10.2	173.4	-64.5	-58.4	137.1	0	0	113.4	Y561 K570	Y561-E563 PolarHBondContact O-N 3.27Å; E563-K570 WeakPolarHBondContact OE1-CE 3.41Å; E563-K570 IonicContact OE1-NZ 3.25Å; E563-K570 PolarHBondContact OE1-NZ 3.21Å; E563-K570 VanDerWaalsContact OE1-NZ 3.14Å; E563-K570 WeakPolarHBondContact OE2-CE 3.48Å; E563-K570 IonicContact OE2-NZ 3.76Å; E563-K570 PolarHBondContact OE2-NZ 3.48Å
564	R	83.4	Confident	84.9	Confident	151 Å²	151	71.9 Å²	71.9	57%	0.57	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	0.1	-177.5	-60.6	178.6	170.8	-155.7	-15.7	114.2	C513 V514 Y561 A562	C513-R564 PolarHBondContact SG-NH1 3.09Å; V514-R564 PolarHBondContact O-NH1 2.83Å; Y561-R564 WeakPolarHBondContact O-CB 3.42Å; Y561-R564 PolarHBondContact O-N 2.95Å; A562-R564 PolarHBondContact O-N 3.28Å
565	V	82.7	Confident	84.3	Confident	43 Å²	43	74.4 Å²	74.4	26%	0.261	36%	0.357	S	S	.	.	S	Bend	trans	-106	169.1	179.4	-60.4	0	0	0	0	111.5	Y561 A562 K570 F573	Y561-V565 HydrophobicContact CD1-CG1 4.17Å; Y561-V565 HydrophobicContact CE1-CG1 3.67Å; A562-V565 WeakPolarHBondContact O-CG2 3.33Å; V565-K570 HydrophobicContact CG2-CB 4.29Å; V565-F573 HydrophobicContact CG1-CE2 4.28Å; V565-F573 HydrophobicContact CG2-CD2 3.92Å; V565-F573 HydrophobicContact CG2-CE2 4.06Å
566	S	79.1	Confident	84.2	Confident	74 Å²	74	71.4 Å²	71.4	52%	0.517	34%	0.344	S	S	.	.			trans	-56.6	155.7	177.3	69.3	0	0	0	0	112.3	H568 G569 K570	S566-H568 PolarHBondContact O-N 2.77Å; S566-H568 VanDerWaalsContact O-N 3.12Å; S566-G569 CarbonylContact O-C 3.06Å; S566-G569 WeakPolarHBondContact O-CA 3.39Å; S566-G569 PolarHBondContact O-N 2.61Å; S566-G569 PolarHBondContact OG-N 3.47Å; S566-K570 PolarHBondContact O-N 3.49Å
567	P	72.7	Confident	84.1	Confident	109 Å²	109	62.4 Å²	62.4	71%	0.708	31%	0.311	S	S	*	.	H	α-helix	trans	-52.6	-37.3	179.6	-29.7	36.2	0	0	0	114.2	K570 F571	P567-K570 PolarHBondContact O-N 2.83Å; P567-F571 PolarHBondContact O-N 2.68Å
568	H	68	Low	83.8	Confident	168 Å²	168	65.7 Å²	65.7	78%	0.778	33%	0.331	S	S	*	.	H	α-helix	trans	-65.4	-42.4	173.4	-77.7	23.1	0	0	0	112.9	S566 F571 R572	S566-H568 PolarHBondContact O-N 2.77Å; S566-H568 VanDerWaalsContact O-N 3.12Å; H568-F571 PolarHBondContact O-N 2.9Å; H568-R572 PolarHBondContact O-N 2.78Å; H568-R572 VanDerWaalsContact O-N 3.17Å
569	G	76.7	Confident	83.7	Confident	10 Å²	10	69.1 Å²	69.1	10%	0.103	35%	0.349	C	S	.	.	H	α-helix	trans	-61.3	-47	173.2	0	0	0	0	0	111.4	S566 F571 R572 F573	S566-G569 CarbonylContact O-C 3.06Å; S566-G569 WeakPolarHBondContact O-CA 3.39Å; S566-G569 PolarHBondContact O-N 2.61Å; S566-G569 PolarHBondContact OG-N 3.47Å; G569-F571 VanDerWaalsContact C-N 3.33Å; G569-F571 PolarHBondContact O-N 2.91Å; G569-R572 PolarHBondContact O-N 3.46Å; G569-R572 VanDerWaalsContact O-N 3.14Å; G569-F573 VanDerWaalsContact O-CD2 3.3Å; G569-F573 WeakPolarHBondContact O-CD2 3.22Å; G569-F573 PolarHBondContact O-N 3.01Å
570	K	80.6	Confident	83.7	Confident	57 Å²	57	66.4 Å²	66.4	25%	0.248	33%	0.329	C	S	.	.	H	α-helix	trans	-59	-40.8	179	-177.6	169.8	171.5	171.8	0	112.2	A562 E563 V565 S566 P567 F573 R574	A562-K570 WeakPolarHBondContact O-CB 3.42Å; A562-K570 WeakPolarHBondContact O-CG 3.42Å; E563-K570 WeakPolarHBondContact OE1-CE 3.41Å; E563-K570 IonicContact OE1-NZ 3.25Å; E563-K570 PolarHBondContact OE1-NZ 3.21Å; E563-K570 VanDerWaalsContact OE1-NZ 3.14Å; E563-K570 WeakPolarHBondContact OE2-CE 3.48Å; E563-K570 IonicContact OE2-NZ 3.76Å; E563-K570 PolarHBondContact OE2-NZ 3.48Å; V565-K570 HydrophobicContact CG2-CB 4.29Å; S566-K570 PolarHBondContact O-N 3.49Å; P567-K570 PolarHBondContact O-N 2.83Å; K570-F573 PolarHBondContact O-N 3.17Å; K570-R574 PolarHBondContact O-N 3.07Å
571	F	74.9	Confident	83.7	Confident	126 Å²	126	67.4 Å²	67.4	55%	0.553	33%	0.328	S	S	*	.	H	α-helix	trans	-61.5	-49.3	172.9	-173.8	-88.4	0	0	0	112	P567 H568 G569 F573 R574 E575	P567-F571 PolarHBondContact O-N 2.68Å; H568-F571 PolarHBondContact O-N 2.9Å; G569-F571 VanDerWaalsContact C-N 3.33Å; G569-F571 PolarHBondContact O-N 2.91Å; F571-F573 VanDerWaalsContact C-N 3.32Å; F571-F573 PolarHBondContact O-N 2.99Å; F571-R574 PolarHBondContact O-N 3.38Å; F571-R574 VanDerWaalsContact O-N 3.14Å; F571-E575 PolarHBondContact O-N 3.36Å; F571-E575 VanDerWaalsContact O-N 3.08Å
572	R	81.5	Confident	83.5	Confident	86 Å²	86	69.1 Å²	69.1	33%	0.325	35%	0.345	S	S	.	.	H	α-helix	trans	-65.8	-33.1	179.4	-173.4	61.1	-177.5	176.6	7.2	112.6	H568 G569 E575 L576 D612 L616	H568-R572 PolarHBondContact O-N 2.78Å; H568-R572 VanDerWaalsContact O-N 3.17Å; G569-R572 PolarHBondContact O-N 3.46Å; G569-R572 VanDerWaalsContact O-N 3.14Å; R572-E575 VanDerWaalsContact CD-OE2 3.31Å; R572-E575 WeakPolarHBondContact CD-OE2 3.49Å; R572-E575 IonicContact CZ-OE1 3.88Å; R572-E575 IonicContact CZ-OE2 2.88Å; R572-E575 IonicContact NE-OE2 2.94Å; R572-E575 IonicContact NH1-OE1 2.82Å; R572-E575 PolarHBondContact NH1-OE1 3.36Å; R572-E575 IonicContact NH1-OE2 3.03Å; R572-E575 PolarHBondContact NH1-OE2 3.02Å; R572-L576 HydrophobicContact CG-CD1 4.31Å; R572-L576 WeakPolarHBondContact O-CG 3.47Å; R572-L576 PolarHBondContact O-N 3.01Å; R572-D612 IonicContact NH2-OD2 3.82Å; R572-D612 PolarHBondContact NH2-OD2 3.46Å; R572-L616 HydrophobicContact CB-CD1 4.14Å; R572-L616 HydrophobicContact CB-CD2 3.97Å; R572-L616 HydrophobicContact CG-CD1 4.01Å; R572-L616 HydrophobicContact CG-CD2 3.85Å
573	F	88.1	Confident	83.6	Confident	1 Å²	1	69.8 Å²	69.8	0%	0.004	35%	0.347	C	S	.	.	H	α-helix	trans	-61.1	-48.9	169.4	-90.7	-74.1	0	0	0	111.6	C558 Y561 A562 V565 G569 K570 F571 E575 L576 L577 V613 L616 V617	C558-F573 HydrophobicContact CB-CD1 4.25Å; C558-F573 HydrophobicContact CB-CE1 4.32Å; Y561-F573 HydrophobicContact CD1-CE1 4.21Å; Y561-F573 AromaticContact CD1-CE2 3.9Å; Y561-F573 HydrophobicContact CD1-CE2 3.9Å; Y561-F573 AromaticContact CD1-CZ 3.49Å; Y561-F573 HydrophobicContact CD1-CZ 3.49Å; Y561-F573 VanDerWaalsContact CD1-CZ 3.49Å; Y561-F573 HydrophobicContact CE1-CE2 4.05Å; Y561-F573 AromaticContact CE1-CZ 3.78Å; Y561-F573 HydrophobicContact CE1-CZ 3.78Å; A562-F573 HydrophobicContact CB-CB 3.54Å; A562-F573 HydrophobicContact CB-CD1 4.31Å; A562-F573 HydrophobicContact CB-CD2 3.98Å; A562-F573 HydrophobicContact CB-CG 3.7Å; V565-F573 HydrophobicContact CG1-CE2 4.28Å; V565-F573 HydrophobicContact CG2-CD2 3.92Å; V565-F573 HydrophobicContact CG2-CE2 4.06Å; G569-F573 VanDerWaalsContact O-CD2 3.3Å; G569-F573 WeakPolarHBondContact O-CD2 3.22Å; G569-F573 PolarHBondContact O-N 3.01Å; K570-F573 PolarHBondContact O-N 3.17Å; F571-F573 VanDerWaalsContact C-N 3.32Å; F571-F573 PolarHBondContact O-N 2.99Å; F573-E575 VanDerWaalsContact C-N 3.33Å; F573-E575 PolarHBondContact O-N 3.4Å; F573-L576 PolarHBondContact O-N 3.02Å; F573-L577 HydrophobicContact CB-CD1 4.47Å; F573-L577 WeakPolarHBondContact O-CB 3.31Å; F573-L577 WeakPolarHBondContact O-CD1 3.2Å; F573-L577 WeakPolarHBondContact O-CG 3.35Å; F573-L577 PolarHBondContact O-N 3.42Å; F573-V613 HydrophobicContact CE1-CG1 3.97Å; F573-L616 HydrophobicContact CB-CD2 4.41Å; F573-L616 HydrophobicContact CD1-CD2 4.09Å; F573-L616 HydrophobicContact CD2-CD2 3.46Å; F573-L616 VanDerWaalsContact CD2-CD2 3.46Å; F573-L616 HydrophobicContact CD2-CG 4.23Å; F573-L616 HydrophobicContact CE1-CD2 4.18Å; F573-L616 HydrophobicContact CE2-CD2 3.54Å; F573-L616 HydrophobicContact CE2-CG 3.86Å; F573-L616 HydrophobicContact CG-CD2 3.72Å; F573-L616 HydrophobicContact CZ-CD2 3.9Å; F573-L616 HydrophobicContact CZ-CG 4.19Å; F573-V617 HydrophobicContact CE1-CG2 4.2Å; F573-V617 HydrophobicContact CZ-CG2 3.69Å
574	R	84.7	Confident	83.8	Confident	155 Å²	155	65 Å²	65	59%	0.585	33%	0.325	S	S	*	.	H	α-helix	trans	-57.4	-44.9	178.5	-75.8	-177.5	173.4	-166.5	-2.3	112.1	K570 F571 L576 L577 V578	K570-R574 PolarHBondContact O-N 3.07Å; F571-R574 PolarHBondContact O-N 3.38Å; F571-R574 VanDerWaalsContact O-N 3.14Å; R574-L576 PolarHBondContact O-N 2.89Å; R574-L577 PolarHBondContact O-N 3.41Å; R574-V578 WeakPolarHBondContact O-CG2 3.47Å; R574-V578 PolarHBondContact O-N 3.44Å
575	E	82.3	Confident	83.9	Confident	53 Å²	53	60.6 Å²	60.6	25%	0.248	32%	0.318	C	S	.	.	H	α-helix	trans	-57	-48	176	-175.1	-172.6	171.6	0	0	112.4	N201 F571 R572 F573 L577 V578 L579	N201-E575 WeakPolarHBondContact ND2-CG 3.34Å; N201-E575 PolarHBondContact ND2-OE1 2.85Å; F571-E575 PolarHBondContact O-N 3.36Å; F571-E575 VanDerWaalsContact O-N 3.08Å; R572-E575 VanDerWaalsContact CD-OE2 3.31Å; R572-E575 WeakPolarHBondContact CD-OE2 3.49Å; R572-E575 IonicContact CZ-OE1 3.88Å; R572-E575 IonicContact CZ-OE2 2.88Å; R572-E575 IonicContact NE-OE2 2.94Å; R572-E575 IonicContact NH1-OE1 2.82Å; R572-E575 PolarHBondContact NH1-OE1 3.36Å; R572-E575 IonicContact NH1-OE2 3.03Å; R572-E575 PolarHBondContact NH1-OE2 3.02Å; F573-E575 VanDerWaalsContact C-N 3.33Å; F573-E575 PolarHBondContact O-N 3.4Å; E575-L577 VanDerWaalsContact C-N 3.34Å; E575-L577 PolarHBondContact O-N 3.28Å; E575-V578 PolarHBondContact O-N 3.47Å; E575-L579 PolarHBondContact O-N 3.37Å
576	L	90.2	Very high	84.1	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-68	-32.5	178.9	-67.1	170.1	0	0	0	112.3	R572 F573 R574 L579 V580 T609 D612 V613 L616	R572-L576 HydrophobicContact CG-CD1 4.31Å; R572-L576 WeakPolarHBondContact O-CG 3.47Å; R572-L576 PolarHBondContact O-N 3.01Å; F573-L576 PolarHBondContact O-N 3.02Å; R574-L576 PolarHBondContact O-N 2.89Å; L576-L579 HydrophobicContact CD2-CD1 4.34Å; L576-L579 WeakPolarHBondContact O-CB 3.34Å; L576-L579 PolarHBondContact O-N 3.33Å; L576-V580 PolarHBondContact O-N 3.37Å; L576-T609 HydrophobicContact CD2-CG2 4.42Å; L576-D612 HydrophobicContact CD1-CB 4.05Å; L576-D612 HydrophobicContact CD2-CB 3.72Å; L576-V613 HydrophobicContact CB-CG2 3.95Å; L576-V613 HydrophobicContact CD1-CG2 3.7Å; L576-V613 HydrophobicContact CG-CG2 4.39Å; L576-L616 HydrophobicContact CD1-CD2 4.2Å
577	L	90.2	Very high	84.4	Confident	10 Å²	10	58 Å²	58	5%	0.052	30%	0.301	C	S	.	.	H	α-helix	trans	-73.4	-28.7	178.4	-67.6	166.4	0	0	0	113.1	K555 C558 F573 R574 E575 L579 V580 D581	K555-L577 HydrophobicContact CB-CD2 4.17Å; K555-L577 HydrophobicContact CG-CB 4.47Å; K555-L577 HydrophobicContact CG-CD2 3.75Å; C558-L577 HydrophobicContact CB-CD1 4.27Å; C558-L577 HydrophobicContact CB-CD2 3.6Å; C558-L577 HydrophobicContact CB-CG 4.39Å; F573-L577 HydrophobicContact CB-CD1 4.47Å; F573-L577 WeakPolarHBondContact O-CB 3.31Å; F573-L577 WeakPolarHBondContact O-CD1 3.2Å; F573-L577 WeakPolarHBondContact O-CG 3.35Å; F573-L577 PolarHBondContact O-N 3.42Å; R574-L577 PolarHBondContact O-N 3.41Å; E575-L577 VanDerWaalsContact C-N 3.34Å; E575-L577 PolarHBondContact O-N 3.28Å; L577-L579 VanDerWaalsContact C-N 3.34Å; L577-V580 WeakPolarHBondContact O-CB 3.36Å; L577-V580 PolarHBondContact O-N 2.72Å; L577-D581 PolarHBondContact O-N 3.15Å
578	V	86.9	Confident	84.8	Confident	95 Å²	95	59.5 Å²	59.5	58%	0.576	30%	0.296	S	S	*	.	H	α-helix	trans	-66.9	-35.8	169.4	171.5	0	0	0	0	111.2	R574 E575 V580 D581 S582	R574-V578 WeakPolarHBondContact O-CG2 3.47Å; R574-V578 PolarHBondContact O-N 3.44Å; E575-V578 PolarHBondContact O-N 3.47Å; V578-V580 VanDerWaalsContact C-N 3.34Å; V578-D581 PolarHBondContact O-N 2.96Å; V578-S582 PolarHBondContact O-N 2.98Å; V578-S582 VanDerWaalsContact O-N 3.11Å
579	L	90	Very high	85.1	Confident	72 Å²	72	57.1 Å²	57.1	38%	0.377	29%	0.289	S	S	.	.	H	α-helix	trans	-64.4	-38.5	171.8	-63.7	176.6	0	0	0	111.7	E575 L576 L577 D581 S582 H583 T609	E575-L579 PolarHBondContact O-N 3.37Å; L576-L579 HydrophobicContact CD2-CD1 4.34Å; L576-L579 WeakPolarHBondContact O-CB 3.34Å; L576-L579 PolarHBondContact O-N 3.33Å; L577-L579 VanDerWaalsContact C-N 3.34Å; L579-D581 VanDerWaalsContact C-N 3.33Å; L579-D581 PolarHBondContact O-N 3.08Å; L579-S582 WeakPolarHBondContact O-CB 3.41Å; L579-S582 PolarHBondContact O-N 2.99Å; L579-H583 PolarHBondContact O-CD2 3.47Å; L579-H583 PolarHBondContact O-N 3.42Å; L579-T609 HydrophobicContact CB-CG2 4.06Å
580	V	90.7	Very high	84.9	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-59.3	-42.3	174.5	175.3	0	0	0	0	111.7	L551 F554 K555 L576 L577 V578 H583 V584 T609	L551-V580 HydrophobicContact CB-CG1 4.06Å; L551-V580 HydrophobicContact CD2-CG1 4.21Å; F554-V580 HydrophobicContact CD1-CG2 4.02Å; F554-V580 HydrophobicContact CE1-CG2 3.79Å; K555-V580 HydrophobicContact CB-CG1 4.25Å; L576-V580 PolarHBondContact O-N 3.37Å; L577-V580 WeakPolarHBondContact O-CB 3.36Å; L577-V580 PolarHBondContact O-N 2.72Å; V578-V580 VanDerWaalsContact C-N 3.34Å; V580-H583 PolarHBondContact O-N 3.37Å; V580-V584 WeakPolarHBondContact O-CG2 3.29Å; V580-V584 PolarHBondContact O-N 2.95Å; V580-T609 HydrophobicContact CG2-CG2 4.04Å
581	D	88.6	Confident	83.9	Confident	65 Å²	65	58.5 Å²	58.5	35%	0.348	30%	0.298	S	S	.	.	H	α-helix	trans	-62.4	-42.2	174.5	-72.3	-35.7	0	0	0	112.3	K555 L577 V578 L579 H583 V584 S585	K555-D581 WeakPolarHBondContact CD-OD1 3.47Å; K555-D581 WeakPolarHBondContact CE-OD1 3.34Å; K555-D581 VanDerWaalsContact CE-OD2 3.31Å; K555-D581 WeakPolarHBondContact CE-OD2 3.48Å; K555-D581 IonicContact NZ-OD1 2.68Å; K555-D581 PolarHBondContact NZ-OD1 2.94Å; K555-D581 IonicContact NZ-OD2 3.62Å; K555-D581 PolarHBondContact NZ-OD2 2.9Å; L577-D581 PolarHBondContact O-N 3.15Å; V578-D581 PolarHBondContact O-N 2.96Å; L579-D581 VanDerWaalsContact C-N 3.33Å; L579-D581 PolarHBondContact O-N 3.08Å; D581-H583 VanDerWaalsContact C-N 3.33Å; D581-H583 PolarHBondContact O-N 3.38Å; D581-V584 PolarHBondContact O-N 2.98Å; D581-S585 PolarHBondContact O-N 3.27Å
582	S	88.1	Confident	82.9	Confident	65 Å²	65	58.6 Å²	58.6	46%	0.455	32%	0.315	S	S	.	.	H	α-helix	trans	-60.2	-42.8	174.6	-169.9	0	0	0	0	111.6	V578 L579 S585 C586	V578-S582 PolarHBondContact O-N 2.98Å; V578-S582 VanDerWaalsContact O-N 3.11Å; L579-S582 WeakPolarHBondContact O-CB 3.41Å; L579-S582 PolarHBondContact O-N 2.99Å; S582-S585 WeakPolarHBondContact O-CB 3.38Å; S582-S585 PolarHBondContact O-N 3.45Å; S582-C586 PolarHBondContact O-N 3.35Å; S582-C586 PolarHBondContact O-SG 2.85Å
583	H	91.3	Very high	81.3	Confident	17 Å²	17	61.6 Å²	61.6	8%	0.079	34%	0.336	C	S	.	.	H	α-helix	trans	-65.9	-41.7	178.5	-62.3	-36.9	0	0	0	112.3	L551 L579 V580 D581 S585 C586 L587 I606 T609	L551-H583 HydrophobicContact CD1-CB 4.49Å; L579-H583 PolarHBondContact O-CD2 3.47Å; L579-H583 PolarHBondContact O-N 3.42Å; V580-H583 PolarHBondContact O-N 3.37Å; D581-H583 VanDerWaalsContact C-N 3.33Å; D581-H583 PolarHBondContact O-N 3.38Å; H583-S585 VanDerWaalsContact C-N 3.31Å; H583-S585 PolarHBondContact O-N 3.25Å; H583-C586 PolarHBondContact O-N 3.44Å; H583-L587 WeakPolarHBondContact O-CG 3.42Å; H583-L587 PolarHBondContact O-N 3.34Å; H583-I606 HydrophobicContact CB-CD1 4.16Å; H583-I606 HydrophobicContact CB-CG1 3.69Å; H583-T609 PolarHBondContact NE2-OG1 3.07Å
584	V	89.5	Confident	79.7	Confident	5 Å²	5	64.7 Å²	64.7	3%	0.03	35%	0.352	C	S	.	.	H	α-helix	trans	-62.3	-39.3	174.1	170.1	0	0	0	0	111.1	L551 V580 D581 L587 K588	L551-V584 HydrophobicContact CB-CG2 3.67Å; L551-V584 HydrophobicContact CD1-CG2 3.97Å; L551-V584 HydrophobicContact CG-CG2 4.49Å; V580-V584 WeakPolarHBondContact O-CG2 3.29Å; V580-V584 PolarHBondContact O-N 2.95Å; D581-V584 PolarHBondContact O-N 2.98Å; V584-L587 PolarHBondContact O-N 3.38Å; V584-K588 HydrophobicContact CG1-CD 4.13Å; V584-K588 HydrophobicContact CG1-CG 4.48Å; V584-K588 WeakPolarHBondContact O-CB 3.4Å; V584-K588 WeakPolarHBondContact O-CG 3.38Å; V584-K588 PolarHBondContact O-N 3.38Å
585	S	85.4	Confident	78.4	Confident	60 Å²	60	60.6 Å²	60.6	42%	0.42	35%	0.347	S	S	.	.	H	α-helix	trans	-62.9	-46	174.1	-170.2	0	0	0	0	111.7	D581 S582 H583 L587 K588 N589	D581-S585 PolarHBondContact O-N 3.27Å; S582-S585 WeakPolarHBondContact O-CB 3.38Å; S582-S585 PolarHBondContact O-N 3.45Å; H583-S585 VanDerWaalsContact C-N 3.31Å; H583-S585 PolarHBondContact O-N 3.25Å; S585-L587 PolarHBondContact O-N 2.96Å; S585-K588 PolarHBondContact O-N 3.34Å; S585-N589 WeakPolarHBondContact O-CB 3.46Å; S585-N589 PolarHBondContact O-N 2.97Å; S585-N589 PolarHBondContact O-ND2 2.7Å
586	C	86.1	Confident	77.4	Confident	58 Å²	58	63.4 Å²	63.4	39%	0.392	37%	0.368	S	S	.	.	H	α-helix	trans	-61.1	-39.9	175.1	-68.3	0	0	0	0	112.9	S582 H583 N589 Y590 L602	S582-C586 PolarHBondContact O-N 3.35Å; S582-C586 PolarHBondContact O-SG 2.85Å; H583-C586 PolarHBondContact O-N 3.44Å; C586-N589 CarbonylContact O-C 3.51Å; C586-N589 PolarHBondContact O-N 2.98Å; C586-Y590 PolarHBondContact O-N 2.93Å; C586-L602 HydrophobicContact CB-CD1 3.68Å; C586-L602 HydrophobicContact CB-CD2 4.01Å
587	L	85.2	Confident	76.1	Confident	4 Å²	4	70.5 Å²	70.5	2%	0.021	40%	0.401	C	S	.	.	H	α-helix	trans	-68.3	-41.2	177	-74.2	167.3	0	0	0	112.7	L547 C548 L551 H583 V584 S585 N589 Y590 L602 I606	L547-L587 HydrophobicContact CB-CD1 4.33Å; L547-L587 HydrophobicContact CD2-CD1 3.68Å; L547-L587 HydrophobicContact CD2-CD2 3.9Å; L547-L587 HydrophobicContact CD2-CG 4.45Å; L547-L587 HydrophobicContact CG-CD1 3.68Å; C548-L587 WeakPolarHBondContact SG-CB 3.36Å; L551-L587 HydrophobicContact CD1-CD1 3.63Å; H583-L587 WeakPolarHBondContact O-CG 3.42Å; H583-L587 PolarHBondContact O-N 3.34Å; V584-L587 PolarHBondContact O-N 3.38Å; S585-L587 PolarHBondContact O-N 2.96Å; L587-N589 VanDerWaalsContact C-N 3.29Å; L587-N589 PolarHBondContact O-N 3.47Å; L587-Y590 WeakPolarHBondContact O-CB 3.24Å; L587-Y590 PolarHBondContact O-N 3.37Å; L587-L602 HydrophobicContact CD2-CD2 3.72Å; L587-L602 HydrophobicContact CD2-CG 4.39Å; L587-L602 HydrophobicContact CG-CD2 4.01Å; L587-I606 HydrophobicContact CD1-CD1 3.9Å; L587-I606 HydrophobicContact CD2-CD1 4.43Å; L587-I606 HydrophobicContact CG-CD1 4.28Å
588	K	81.2	Confident	75.2	Confident	140 Å²	140	72.5 Å²	72.5	61%	0.609	42%	0.416	S	S	*	.	H	α-helix	trans	-64	-35.6	175.1	-75.5	175.5	178.3	178.5	0	112.5	V584 S585 Y590	V584-K588 HydrophobicContact CG1-CD 4.13Å; V584-K588 HydrophobicContact CG1-CG 4.48Å; V584-K588 WeakPolarHBondContact O-CB 3.4Å; V584-K588 WeakPolarHBondContact O-CG 3.38Å; V584-K588 PolarHBondContact O-N 3.38Å; S585-K588 PolarHBondContact O-N 3.34Å; K588-Y590 VanDerWaalsContact C-N 3.32Å
589	N	75.1	Confident	74.8	Confident	118 Å²	118	68.1 Å²	68.1	63%	0.631	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	7.7	177.9	-62.8	-22.4	0	0	0	113	S585 C586 L587 S591	S585-N589 WeakPolarHBondContact O-CB 3.46Å; S585-N589 PolarHBondContact O-N 2.97Å; S585-N589 PolarHBondContact O-ND2 2.7Å; C586-N589 CarbonylContact O-C 3.51Å; C586-N589 PolarHBondContact O-N 2.98Å; L587-N589 VanDerWaalsContact C-N 3.29Å; L587-N589 PolarHBondContact O-N 3.47Å; N589-S591 VanDerWaalsContact C-N 3.27Å; N589-S591 PolarHBondContact O-N 3.3Å
590	Y	72.8	Confident	74.3	Confident	40 Å²	40	69.7 Å²	69.7	16%	0.157	40%	0.395	C	S	.	.			trans	-76.2	80.5	176.8	-162.3	-87.1	0	0	0	109.8	L539 C586 L587 K588 N594 S595 L602	L539-Y590 HydrophobicContact CB-CD1 3.99Å; L539-Y590 HydrophobicContact CB-CE1 3.65Å; L539-Y590 HydrophobicContact CD1-CD1 4.19Å; L539-Y590 HydrophobicContact CD1-CD2 4.07Å; L539-Y590 HydrophobicContact CD1-CE1 3.82Å; L539-Y590 HydrophobicContact CD1-CE2 3.66Å; L539-Y590 HydrophobicContact CD1-CG 4.33Å; L539-Y590 HydrophobicContact CG-CE1 4.4Å; C586-Y590 PolarHBondContact O-N 2.93Å; L587-Y590 WeakPolarHBondContact O-CB 3.24Å; L587-Y590 PolarHBondContact O-N 3.37Å; K588-Y590 VanDerWaalsContact C-N 3.32Å; Y590-N594 HydrophobicContact CD2-CB 4.26Å; Y590-N594 HydrophobicContact CE1-CB 4.43Å; Y590-N594 HydrophobicContact CE2-CB 3.7Å; Y590-N594 PolarHBondContact OH-O 3.36Å; Y590-S595 PolarHBondContact OH-O 3.25Å; Y590-L602 HydrophobicContact CD2-CD2 4.25Å
591	S	60.1	Low	74	Confident	56 Å²	56	74 Å²	74	39%	0.392	41%	0.414	S	S	.	.			trans	-68.5	153.7	166.6	62.8	0	0	0	0	110.3	N589 I593 N594	N589-S591 VanDerWaalsContact C-N 3.27Å; N589-S591 PolarHBondContact O-N 3.3Å; S591-I593 PolarHBondContact O-N 3Å; S591-N594 PolarHBondContact O-N 3.44Å; S591-N594 PolarHBondContact O-ND2 3.01Å
592	S	52.3	Low	74	Confident	128 Å²	128	71.6 Å²	71.6	90%	0.895	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	8	175.2	47.7	0	0	0	0	114.8
593	I	49	Very low	74.1	Confident	150 Å²	150	68.9 Å²	68.9	77%	0.769	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-17.8	178.7	-50.9	168.5	0	0	0	110.4	S591	S591-I593 PolarHBondContact O-N 3Å
594	N	54.3	Low	74	Confident	66 Å²	66	73.1 Å²	73.1	35%	0.353	40%	0.4	S	S	.	.	S	Bend	trans	-77.2	135.5	178.5	-69.7	-60.7	0	0	0	112	Y590 S591	Y590-N594 HydrophobicContact CD2-CB 4.26Å; Y590-N594 HydrophobicContact CE1-CB 4.43Å; Y590-N594 HydrophobicContact CE2-CB 3.7Å; Y590-N594 PolarHBondContact OH-O 3.36Å; S591-N594 PolarHBondContact O-N 3.44Å; S591-N594 PolarHBondContact O-ND2 3.01Å
595	S	57.2	Low	74.1	Confident	69 Å²	69	76.7 Å²	76.7	48%	0.483	42%	0.419	S	S	.	.			trans	-59.1	149.9	178.1	65.3	0	0	0	0	112.4	Y590 E597 S598 G599	Y590-S595 PolarHBondContact OH-O 3.25Å; S595-E597 PolarHBondContact O-N 3.2Å; S595-E597 VanDerWaalsContact O-N 3.17Å; S595-S598 VanDerWaalsContact O-CB 3.29Å; S595-S598 WeakPolarHBondContact O-CB 3.49Å; S595-S598 PolarHBondContact O-N 3.04Å; S595-S598 PolarHBondContact OG-N 3.22Å; S595-G599 PolarHBondContact O-N 3.47Å
596	T	61.5	Low	74.4	Confident	112 Å²	112	73.9 Å²	73.9	69%	0.687	40%	0.399	S	S	*	.	H	α-helix	trans	-52.4	-35.4	173.9	40.9	0	0	0	0	112.6	G599 E600	T596-G599 PolarHBondContact O-N 3.47Å; T596-E600 PolarHBondContact O-N 2.91Å
597	E	62	Low	74.8	Confident	150 Å²	150	73.5 Å²	73.5	70%	0.701	39%	0.392	S	S	*	.	H	α-helix	trans	-63.3	-40.6	174.9	-172.6	175.7	-160.7	0	0	113.1	S595 G599 E600 K601	S595-E597 PolarHBondContact O-N 3.2Å; S595-E597 VanDerWaalsContact O-N 3.17Å; E597-G599 VanDerWaalsContact C-N 3.31Å; E597-G599 PolarHBondContact O-N 3.3Å; E597-E600 PolarHBondContact O-N 2.62Å; E597-K601 WeakPolarHBondContact O-CB 3.42Å; E597-K601 PolarHBondContact O-N 2.89Å
598	S	72.5	Confident	75.2	Confident	51 Å²	51	75 Å²	75	36%	0.357	41%	0.405	S	S	.	.	H	α-helix	trans	-61.6	-41.4	173.5	-171	0	0	0	0	111.1	S595 K601 L602	S595-S598 VanDerWaalsContact O-CB 3.29Å; S595-S598 WeakPolarHBondContact O-CB 3.49Å; S595-S598 PolarHBondContact O-N 3.04Å; S595-S598 PolarHBondContact OG-N 3.22Å; S598-K601 PolarHBondContact O-N 2.95Å; S598-L602 PolarHBondContact O-N 3.41Å
599	G	77.7	Confident	75.8	Confident	3 Å²	3	68.8 Å²	68.8	3%	0.031	38%	0.378	C	S	.	.	H	α-helix	trans	-61.4	-47.8	174.5	0	0	0	0	0	113.8	S595 T596 E597 K601 L602 L603	S595-G599 PolarHBondContact O-N 3.47Å; T596-G599 PolarHBondContact O-N 3.47Å; E597-G599 VanDerWaalsContact C-N 3.31Å; E597-G599 PolarHBondContact O-N 3.3Å; G599-K601 VanDerWaalsContact C-N 3.33Å; G599-K601 PolarHBondContact O-N 3.32Å; G599-L602 PolarHBondContact O-N 3.45Å; G599-L603 WeakPolarHBondContact O-CG 3.29Å; G599-L603 PolarHBondContact O-N 3.11Å
600	E	80.6	Confident	76.7	Confident	105 Å²	105	63.3 Å²	63.3	49%	0.491	35%	0.349	S	S	.	.	H	α-helix	trans	-61.7	-39.9	175.2	-77.9	-160.2	-169.4	0	0	112.7	T596 E597 L602 L603 K604	T596-E600 PolarHBondContact O-N 2.91Å; E597-E600 PolarHBondContact O-N 2.62Å; E600-L602 VanDerWaalsContact C-N 3.34Å; E600-L603 PolarHBondContact O-N 3.34Å; E600-K604 WeakPolarHBondContact O-CB 3.34Å; E600-K604 WeakPolarHBondContact O-CD 3.44Å; E600-K604 VanDerWaalsContact O-CG 3.24Å; E600-K604 WeakPolarHBondContact O-CG 3.31Å; E600-K604 PolarHBondContact O-N 2.96Å; E600-K604 IonicContact OE2-NZ 2.69Å; E600-K604 PolarHBondContact OE2-NZ 2.89Å
601	K	84.5	Confident	77.7	Confident	92 Å²	92	67.2 Å²	67.2	40%	0.4	36%	0.363	S	S	.	.	H	α-helix	trans	-61.7	-43.1	177.1	-170.4	173.2	178.7	179.2	0	110.6	E12 E597 S598 G599 K604 N605	E12-K601 IonicContact OE1-NZ 2.62Å; E12-K601 PolarHBondContact OE1-NZ 3.31Å; E12-K601 IonicContact OE2-NZ 2.7Å; E12-K601 PolarHBondContact OE2-NZ 3.43Å; E597-K601 WeakPolarHBondContact O-CB 3.42Å; E597-K601 PolarHBondContact O-N 2.89Å; S598-K601 PolarHBondContact O-N 2.95Å; G599-K601 VanDerWaalsContact C-N 3.33Å; G599-K601 PolarHBondContact O-N 3.32Å; K601-K604 PolarHBondContact O-N 3.18Å; K601-N605 PolarHBondContact O-N 3.3Å; K601-N605 PolarHBondContact O-ND2 3.45Å
602	L	87.6	Confident	79.2	Confident	15 Å²	15	67.7 Å²	67.7	8%	0.079	36%	0.362	C	S	.	.	H	α-helix	trans	-61.2	-49.1	174	-179.6	56.7	0	0	0	112	C586 L587 Y590 S598 G599 E600 K604 N605 I606	C586-L602 HydrophobicContact CB-CD1 3.68Å; C586-L602 HydrophobicContact CB-CD2 4.01Å; L587-L602 HydrophobicContact CD2-CD2 3.72Å; L587-L602 HydrophobicContact CD2-CG 4.39Å; L587-L602 HydrophobicContact CG-CD2 4.01Å; Y590-L602 HydrophobicContact CD2-CD2 4.25Å; S598-L602 PolarHBondContact O-N 3.41Å; G599-L602 PolarHBondContact O-N 3.45Å; E600-L602 VanDerWaalsContact C-N 3.34Å; L602-K604 PolarHBondContact O-N 3.03Å; L602-N605 PolarHBondContact O-N 2.82Å; L602-N605 VanDerWaalsContact O-N 3.17Å; L602-I606 HydrophobicContact CD1-CD1 4.1Å; L602-I606 HydrophobicContact CD1-CG1 4.38Å; L602-I606 HydrophobicContact CG-CD1 4.07Å; L602-I606 WeakPolarHBondContact O-CG1 3.37Å; L602-I606 PolarHBondContact O-N 2.96Å
603	L	89.2	Confident	81.1	Confident	8 Å²	8	61.6 Å²	61.6	4%	0.042	32%	0.319	C	S	.	.	H	α-helix	trans	-60.9	-41.6	178.1	-70.2	174.1	0	0	0	112.9	L530 M533 K534 L539 L547 G599 E600 N605 I606 E607	L530-L603 HydrophobicContact CD2-CD2 3.61Å; M533-L603 HydrophobicContact CE-CD2 4.09Å; K534-L603 HydrophobicContact CG-CD1 4.37Å; L539-L603 HydrophobicContact CD2-CD1 4.1Å; L539-L603 HydrophobicContact CD2-CD2 4.1Å; L539-L603 HydrophobicContact CD2-CG 4.2Å; L547-L603 HydrophobicContact CD2-CD2 3.96Å; G599-L603 WeakPolarHBondContact O-CG 3.29Å; G599-L603 PolarHBondContact O-N 3.11Å; E600-L603 PolarHBondContact O-N 3.34Å; L603-N605 VanDerWaalsContact C-N 3.33Å; L603-N605 PolarHBondContact O-N 3.04Å; L603-I606 PolarHBondContact O-N 3.4Å; L603-E607 WeakPolarHBondContact O-CB 3.28Å; L603-E607 PolarHBondContact O-N 2.98Å
604	K	89.5	Confident	83.2	Confident	106 Å²	106	56.1 Å²	56.1	46%	0.461	29%	0.29	S	S	.	.	H	α-helix	trans	-62.3	-38.2	175.3	-72.5	163.7	-171	159.4	0	111.9	E600 K601 L602 A608	E600-K604 WeakPolarHBondContact O-CB 3.34Å; E600-K604 WeakPolarHBondContact O-CD 3.44Å; E600-K604 VanDerWaalsContact O-CG 3.24Å; E600-K604 WeakPolarHBondContact O-CG 3.31Å; E600-K604 PolarHBondContact O-N 2.96Å; E600-K604 IonicContact OE2-NZ 2.69Å; E600-K604 PolarHBondContact OE2-NZ 2.89Å; K601-K604 PolarHBondContact O-N 3.18Å; L602-K604 PolarHBondContact O-N 3.03Å; K604-A608 WeakPolarHBondContact O-CB 3.46Å; K604-A608 PolarHBondContact O-N 3.35Å
605	N	91.9	Very high	84.8	Confident	79 Å²	79	56.1 Å²	56.1	42%	0.422	29%	0.293	S	S	.	.	H	α-helix	trans	-69.6	-39.6	177.5	-69.8	-22.6	0	0	0	112.8	K601 L602 L603 A608 T609	K601-N605 PolarHBondContact O-N 3.3Å; K601-N605 PolarHBondContact O-ND2 3.45Å; L602-N605 PolarHBondContact O-N 2.82Å; L602-N605 VanDerWaalsContact O-N 3.17Å; L603-N605 VanDerWaalsContact C-N 3.33Å; L603-N605 PolarHBondContact O-N 3.04Å; N605-A608 PolarHBondContact O-N 3.18Å; N605-T609 PolarHBondContact O-N 3.31Å; N605-T609 VanDerWaalsContact O-N 3.09Å; N605-T609 PolarHBondContact O-OG1 3.49Å
606	I	93.1	Very high	86.3	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-63.9	-48.5	175.1	-64.1	166.3	0	0	0	109.9	L530 L547 L551 H583 L587 L602 L603 A608 T609 V610	L530-I606 HydrophobicContact CD1-CG2 3.96Å; L530-I606 HydrophobicContact CD2-CB 4.31Å; L530-I606 HydrophobicContact CD2-CG2 4.04Å; L547-I606 HydrophobicContact CD2-CD1 3.95Å; L551-I606 HydrophobicContact CD1-CD1 4.33Å; L551-I606 HydrophobicContact CD1-CG2 4.32Å; L551-I606 HydrophobicContact CD2-CG2 3.87Å; H583-I606 HydrophobicContact CB-CD1 4.16Å; H583-I606 HydrophobicContact CB-CG1 3.69Å; L587-I606 HydrophobicContact CD1-CD1 3.9Å; L587-I606 HydrophobicContact CD2-CD1 4.43Å; L587-I606 HydrophobicContact CG-CD1 4.28Å; L602-I606 HydrophobicContact CD1-CD1 4.1Å; L602-I606 HydrophobicContact CD1-CG1 4.38Å; L602-I606 HydrophobicContact CG-CD1 4.07Å; L602-I606 WeakPolarHBondContact O-CG1 3.37Å; L602-I606 PolarHBondContact O-N 2.96Å; L603-I606 PolarHBondContact O-N 3.4Å; I606-A608 VanDerWaalsContact C-N 3.31Å; I606-A608 PolarHBondContact O-N 2.88Å; I606-T609 WeakPolarHBondContact O-CB 3.45Å; I606-T609 PolarHBondContact O-N 3.37Å; I606-V610 WeakPolarHBondContact O-CG2 3.16Å; I606-V610 PolarHBondContact O-N 3Å
607	E	93.3	Very high	87.6	Confident	51 Å²	51	49 Å²	49	24%	0.238	25%	0.245	C	C	.	.	H	α-helix	trans	-58.9	-41.7	177.9	-164.8	-158	157.9	0	0	112.1	L530 K534 L603 T609 V610 R611	L530-E607 HydrophobicContact CD1-CB 4.02Å; L530-E607 HydrophobicContact CD1-CG 4.37Å; K534-E607 IonicContact NZ-OE2 2.68Å; K534-E607 PolarHBondContact NZ-OE2 3.24Å; L603-E607 WeakPolarHBondContact O-CB 3.28Å; L603-E607 PolarHBondContact O-N 2.98Å; E607-T609 VanDerWaalsContact C-N 3.31Å; E607-T609 PolarHBondContact O-N 3.49Å; E607-V610 PolarHBondContact O-N 3.17Å; E607-R611 WeakPolarHBondContact O-CB 3.23Å; E607-R611 PolarHBondContact O-N 2.96Å; E607-R611 IonicContact OE1-CZ 3.88Å; E607-R611 IonicContact OE1-NH2 2.68Å; E607-R611 PolarHBondContact OE1-NH2 3.48Å; E607-R611 IonicContact OE2-NH2 3.12Å
608	A	93.4	Very high	88.7	Confident	36 Å²	36	48.5 Å²	48.5	30%	0.298	24%	0.241	S	C	.	.	H	α-helix	trans	-60.7	-40.1	174.5	0	0	0	0	0	112.3	K604 N605 I606 R611 D612	K604-A608 WeakPolarHBondContact O-CB 3.46Å; K604-A608 PolarHBondContact O-N 3.35Å; N605-A608 PolarHBondContact O-N 3.18Å; I606-A608 VanDerWaalsContact C-N 3.31Å; I606-A608 PolarHBondContact O-N 2.88Å; A608-R611 PolarHBondContact O-N 3.18Å; A608-D612 PolarHBondContact O-N 2.91Å
609	T	94	Very high	89.1	Confident	9 Å²	9	57.4 Å²	57.4	6%	0.055	27%	0.266	C	S	.	.	H	α-helix	trans	-66.8	-42.8	178.5	-51.2	0	0	0	0	111.5	L576 L579 V580 H583 N605 I606 E607 R611 D612 V613	L576-T609 HydrophobicContact CD2-CG2 4.42Å; L579-T609 HydrophobicContact CB-CG2 4.06Å; V580-T609 HydrophobicContact CG2-CG2 4.04Å; H583-T609 PolarHBondContact NE2-OG1 3.07Å; N605-T609 PolarHBondContact O-N 3.31Å; N605-T609 VanDerWaalsContact O-N 3.09Å; N605-T609 PolarHBondContact O-OG1 3.49Å; I606-T609 WeakPolarHBondContact O-CB 3.45Å; I606-T609 PolarHBondContact O-N 3.37Å; E607-T609 VanDerWaalsContact C-N 3.31Å; E607-T609 PolarHBondContact O-N 3.49Å; T609-R611 VanDerWaalsContact C-N 3.34Å; T609-R611 PolarHBondContact O-N 2.95Å; T609-D612 PolarHBondContact O-N 2.91Å; T609-V613 PolarHBondContact O-N 3.05Å; T609-V613 VanDerWaalsContact O-N 3.09Å
610	V	94.1	Very high	89.7	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-63.6	-39.8	174.5	175.9	0	0	0	0	111.2	C523 L526 F554 I606 E607 V613 M614	C523-V610 HydrophobicContact CB-CG1 3.85Å; L526-V610 HydrophobicContact CB-CG1 4.34Å; L526-V610 HydrophobicContact CB-CG2 4.18Å; L526-V610 HydrophobicContact CD1-CG2 3.81Å; F554-V610 HydrophobicContact CE1-CG2 4.36Å; F554-V610 HydrophobicContact CZ-CG2 4.36Å; I606-V610 WeakPolarHBondContact O-CG2 3.16Å; I606-V610 PolarHBondContact O-N 3Å; E607-V610 PolarHBondContact O-N 3.17Å; V610-V613 PolarHBondContact O-N 3.2Å; V610-M614 PolarHBondContact O-N 3.3Å
611	R	93.5	Very high	90.1	Very high	122 Å²	122	57.7 Å²	57.7	46%	0.46	27%	0.267	S	S	.	.	H	α-helix	trans	-64.8	-42.3	176.4	-163.9	-175.7	-55.2	113.3	-1.9	112.2	E607 A608 T609 M614 V615	E607-R611 WeakPolarHBondContact O-CB 3.23Å; E607-R611 PolarHBondContact O-N 2.96Å; E607-R611 IonicContact OE1-CZ 3.88Å; E607-R611 IonicContact OE1-NH2 2.68Å; E607-R611 PolarHBondContact OE1-NH2 3.48Å; E607-R611 IonicContact OE2-NH2 3.12Å; A608-R611 PolarHBondContact O-N 3.18Å; T609-R611 VanDerWaalsContact C-N 3.34Å; T609-R611 PolarHBondContact O-N 2.95Å; R611-M614 WeakPolarHBondContact O-CB 3.27Å; R611-M614 PolarHBondContact O-N 3.23Å; R611-V615 WeakPolarHBondContact O-CG2 3.28Å; R611-V615 PolarHBondContact O-N 3.24Å
612	D	93	Very high	90.4	Very high	67 Å²	67	55.8 Å²	55.8	36%	0.358	26%	0.259	S	S	.	.	H	α-helix	trans	-63	-41.3	176.2	-94.4	26.6	0	0	0	111.9	R572 L576 A608 T609 V615 L616	R572-D612 IonicContact NH2-OD2 3.82Å; R572-D612 PolarHBondContact NH2-OD2 3.46Å; L576-D612 HydrophobicContact CD1-CB 4.05Å; L576-D612 HydrophobicContact CD2-CB 3.72Å; A608-D612 PolarHBondContact O-N 2.91Å; T609-D612 PolarHBondContact O-N 2.91Å; D612-V615 PolarHBondContact O-N 2.89Å; D612-L616 WeakPolarHBondContact O-CB 3.4Å; D612-L616 PolarHBondContact O-N 3.2Å
613	V	92.3	Very high	90.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.8	-43.1	172.3	171.4	0	0	0	0	110.9	V519 F554 F573 L576 T609 V610 V615 L616 V617	V519-V613 HydrophobicContact CG1-CG1 3.91Å; F554-V613 HydrophobicContact CE1-CG2 4.45Å; F554-V613 HydrophobicContact CE2-CB 4.47Å; F554-V613 HydrophobicContact CE2-CG1 4.01Å; F554-V613 HydrophobicContact CZ-CB 3.86Å; F554-V613 HydrophobicContact CZ-CG1 3.84Å; F554-V613 HydrophobicContact CZ-CG2 3.8Å; F573-V613 HydrophobicContact CE1-CG1 3.97Å; L576-V613 HydrophobicContact CB-CG2 3.95Å; L576-V613 HydrophobicContact CD1-CG2 3.7Å; L576-V613 HydrophobicContact CG-CG2 4.39Å; T609-V613 PolarHBondContact O-N 3.05Å; T609-V613 VanDerWaalsContact O-N 3.09Å; V610-V613 PolarHBondContact O-N 3.2Å; V613-V615 VanDerWaalsContact C-N 3.31Å; V613-V615 PolarHBondContact O-N 2.84Å; V613-L616 PolarHBondContact O-N 3.02Å; V613-L616 VanDerWaalsContact O-N 3.15Å; V613-V617 HydrophobicContact CG1-CG2 4.07Å; V613-V617 WeakPolarHBondContact O-CB 3.25Å; V613-V617 WeakPolarHBondContact O-CG2 3.48Å; V613-V617 PolarHBondContact O-N 2.68Å
614	M	91.5	Very high	90.7	Very high	34 Å²	34	61.4 Å²	61.4	17%	0.167	28%	0.284	C	S	.	.	H	α-helix	trans	-60	-37.7	174.4	-83.8	-62.4	-73.6	0	0	113.5	T520 C523 V610 R611 K618	T520-M614 HydrophobicContact CG2-CE 4.02Å; T520-M614 HydrophobicContact CG2-SD 4.37Å; C523-M614 HydrophobicContact CB-CG 3.33Å; C523-M614 HydrophobicContact CB-SD 3.33Å; C523-M614 WeakPolarHBondContact CB-SD 3.32Å; C523-M614 VanDerWaalsContact SG-CG 3.56Å; C523-M614 VanDerWaalsContact SG-SD 3.63Å; V610-M614 PolarHBondContact O-N 3.3Å; R611-M614 WeakPolarHBondContact O-CB 3.27Å; R611-M614 PolarHBondContact O-N 3.23Å; M614-K618 WeakPolarHBondContact O-CB 3.39Å; M614-K618 VanDerWaalsContact O-CG 3.27Å; M614-K618 WeakPolarHBondContact O-CG 3.32Å; M614-K618 PolarHBondContact O-N 2.94Å; M614-K618 VanDerWaalsContact O-N 3.1Å
615	V	89.3	Confident	90.8	Very high	67 Å²	67	58.4 Å²	58.4	41%	0.406	27%	0.273	S	S	.	.	H	α-helix	trans	-68.4	-39.7	174.9	171.3	0	0	0	0	110.8	R611 D612 V613 K618 R619	R611-V615 WeakPolarHBondContact O-CG2 3.28Å; R611-V615 PolarHBondContact O-N 3.24Å; D612-V615 PolarHBondContact O-N 2.89Å; V613-V615 VanDerWaalsContact C-N 3.31Å; V613-V615 PolarHBondContact O-N 2.84Å; V615-K618 PolarHBondContact O-N 3.06Å; V615-R619 WeakPolarHBondContact O-CG 3.44Å; V615-R619 PolarHBondContact O-N 2.71Å
616	L	88.3	Confident	90.7	Very high	31 Å²	31	56.9 Å²	56.9	16%	0.162	26%	0.262	C	S	.	.	H	α-helix	trans	-66.6	-38.4	177.3	-174.1	64.1	0	0	0	112.8	R572 F573 L576 D612 V613 K618	R572-L616 HydrophobicContact CB-CD1 4.14Å; R572-L616 HydrophobicContact CB-CD2 3.97Å; R572-L616 HydrophobicContact CG-CD1 4.01Å; R572-L616 HydrophobicContact CG-CD2 3.85Å; F573-L616 HydrophobicContact CB-CD2 4.41Å; F573-L616 HydrophobicContact CD1-CD2 4.09Å; F573-L616 HydrophobicContact CD2-CD2 3.46Å; F573-L616 VanDerWaalsContact CD2-CD2 3.46Å; F573-L616 HydrophobicContact CD2-CG 4.23Å; F573-L616 HydrophobicContact CE1-CD2 4.18Å; F573-L616 HydrophobicContact CE2-CD2 3.54Å; F573-L616 HydrophobicContact CE2-CG 3.86Å; F573-L616 HydrophobicContact CG-CD2 3.72Å; F573-L616 HydrophobicContact CZ-CD2 3.9Å; F573-L616 HydrophobicContact CZ-CG 4.19Å; L576-L616 HydrophobicContact CD1-CD2 4.2Å; D612-L616 WeakPolarHBondContact O-CB 3.4Å; D612-L616 PolarHBondContact O-N 3.2Å; V613-L616 PolarHBondContact O-N 3.02Å; V613-L616 VanDerWaalsContact O-N 3.15Å; L616-K618 VanDerWaalsContact C-N 3.35Å
617	V	88.8	Confident	90.5	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-73.8	-25.5	177.1	172.9	0	0	0	0	112.4	R516 V519 Y561 F573 V613	R516-V617 HydrophobicContact CG-CG1 3.77Å; R516-V617 PolarHBondContact NE-O 3.14Å; R516-V617 PolarHBondContact NH1-O 3.42Å; V519-V617 HydrophobicContact CB-CG1 4.45Å; V519-V617 HydrophobicContact CB-CG2 4.1Å; V519-V617 HydrophobicContact CG1-CG2 3.61Å; Y561-V617 HydrophobicContact CE1-CG2 4.16Å; F573-V617 HydrophobicContact CE1-CG2 4.2Å; F573-V617 HydrophobicContact CZ-CG2 3.69Å; V613-V617 HydrophobicContact CG1-CG2 4.07Å; V613-V617 WeakPolarHBondContact O-CB 3.25Å; V613-V617 WeakPolarHBondContact O-CG2 3.48Å; V613-V617 PolarHBondContact O-N 2.68Å
618	K	85.6	Confident	90.3	Very high	138 Å²	138	62.1 Å²	62.1	60%	0.6	29%	0.285	S	S	*	.	H	α-helix	trans	-77.8	-35.5	177.4	-84.2	-179.4	176.3	-173.7	0	113.1	R516 M614 V615 L616	R516-K618 PolarHBondContact NH1-O 3.09Å; R516-K618 PolarHBondContact NH2-O 3.28Å; M614-K618 WeakPolarHBondContact O-CB 3.39Å; M614-K618 VanDerWaalsContact O-CG 3.27Å; M614-K618 WeakPolarHBondContact O-CG 3.32Å; M614-K618 PolarHBondContact O-N 2.94Å; M614-K618 VanDerWaalsContact O-N 3.1Å; V615-K618 PolarHBondContact O-N 3.06Å; L616-K618 VanDerWaalsContact C-N 3.35Å
619	R	79.8	Confident	90	Very high	238 Å²	238	64.5 Å²	64.5	90%	0.898	28%	0.284	S	S	*	.			trans	-67.4	0	169.7	-70	174.5	178.4	-171.1	-0.3	111.4	V615	V615-R619 WeakPolarHBondContact O-CG 3.44Å; V615-R619 PolarHBondContact O-N 2.71Å

Retrieved 619 of 619 residues in 358.5 ms (Link to these results)

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