A0A087X419_POEFO Loading...

Sprouty-related, EVH1 domain-containing protein 2

AlphaFold DB , UniProt , Accession A0A087X419, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 426 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	33	Very low	59.2	Low	236 Å²	236	126.8 Å²	126.8	100%	1.163	65%	0.645	S	S	*	*				0	94	0	-176.2	169.7	-178.3	0	0	104.4
2	N	32.4	Very low	61.8	Low	151 Å²	151	119.1 Å²	119.1	81%	0.807	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-93.7	118.4	-173.1	-59.6	14.4	0	0	0	105.8
3	E	42	Very low	64.1	Low	143 Å²	143	115.1 Å²	115.1	67%	0.668	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-77	127	153.3	-73.8	-168.6	78	0	0	106.6	R6	E3-R6 IonicContact OE1-CZ 2.74Å; E3-R6 IonicContact OE1-NE 3.85Å; E3-R6 IonicContact OE1-NH2 3.44Å; E3-R6 PolarHBondContact OE1-NH2 3.47Å
4	E	50.5	Low	66.2	Low	144 Å²	144	108.4 Å²	108.4	67%	0.673	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-51.9	133.6	163.3	-120.7	76.5	-175.4	0	0	108.2	R6	E4-R6 PolarHBondContact O-N 2.83Å
5	P	55.1	Low	68.1	Low	119 Å²	119	107.3 Å²	107.3	77%	0.773	54%	0.536	S	S	*	.			trans	-65.7	107	-179.1	26.6	-33.5	0	0	0	109.4
6	R	63.5	Low	69.9	Low	174 Å²	174	101.3 Å²	101.3	66%	0.657	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-58.2	134.6	177	-57.8	-178.1	-159.8	173.2	8.3	108.6	E3 E4 D8	E3-R6 IonicContact OE1-CZ 2.74Å; E3-R6 IonicContact OE1-NE 3.85Å; E3-R6 IonicContact OE1-NH2 3.44Å; E3-R6 PolarHBondContact OE1-NH2 3.47Å; E4-R6 PolarHBondContact O-N 2.83Å; R6-D8 PolarHBondContact O-N 3.21Å
7	P	66.1	Low	71.4	Confident	20 Å²	20	97.6 Å²	97.6	13%	0.13	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-61	121.5	179.5	22.7	-32	0	0	0	110.2	S11 Y12 C43 L45 H59	P7-S11 WeakPolarHBondContact CB-OG 3.38Å; P7-Y12 HydrophobicContact CB-CE2 4.38Å; P7-Y12 HydrophobicContact CG-CE2 4.39Å; P7-C43 HydrophobicContact CB-CB 3.91Å; P7-C43 HydrophobicContact CG-CB 4.42Å; P7-L45 HydrophobicContact CB-CD2 4.41Å; P7-H59 HydrophobicContact CG-CB 4.42Å
8	D	72.1	Confident	72.8	Confident	131 Å²	131	92.2 Å²	92.2	70%	0.701	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-54.3	150.1	176.6	-87.2	-49	0	0	0	111.2	R6 D10 S11 Y12	R6-D8 PolarHBondContact O-N 3.21Å; D8-D10 PolarHBondContact O-N 2.95Å; D8-D10 VanDerWaalsContact O-N 3.12Å; D8-S11 VanDerWaalsContact O-CB 3.32Å; D8-S11 WeakPolarHBondContact O-CB 2.88Å; D8-S11 PolarHBondContact O-N 3.03Å; D8-S11 PolarHBondContact O-OG 2.79Å; D8-Y12 WeakPolarHBondContact O-CD2 3.21Å
9	D	73.8	Confident	74.1	Confident	84 Å²	84	88.7 Å²	88.7	45%	0.449	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-60.8	-27.5	-174.8	-121.9	49.7	0	0	0	112.1	S11 Y12 R15 R39	D9-S11 VanDerWaalsContact C-N 3.34Å; D9-Y12 WeakPolarHBondContact O-CD2 3.42Å; D9-R15 IonicContact OD1-CZ 2.79Å; D9-R15 IonicContact OD1-NH1 3.63Å; D9-R15 PolarHBondContact OD1-NH1 3.36Å; D9-R15 IonicContact OD1-NH2 3.98Å; D9-R15 IonicContact OD2-CZ 2.74Å; D9-R15 IonicContact OD2-NH1 2.74Å; D9-R15 PolarHBondContact OD2-NH1 3Å; D9-R15 IonicContact OD2-NH2 3.58Å; D9-R15 PolarHBondContact OD2-NH2 2.72Å; D9-R39 IonicContact OD1-CZ 2.71Å; D9-R39 IonicContact OD1-NH1 3.74Å; D9-R39 IonicContact OD1-NH2 2.75Å; D9-R39 PolarHBondContact OD1-NH2 3.09Å; D9-R39 IonicContact OD2-NH1 3.59Å
10	D	75.8	Confident	75.1	Confident	168 Å²	168	84.3 Å²	84.3	90%	0.898	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-76.6	-10.6	174.3	-69	-23.7	0	0	0	114.5	D8 Y12	D8-D10 PolarHBondContact O-N 2.95Å; D8-D10 VanDerWaalsContact O-N 3.12Å; D10-Y12 VanDerWaalsContact C-N 3.34Å
11	S	86.4	Confident	76.1	Confident	25 Å²	25	81.3 Å²	81.3	18%	0.175	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-82.7	-10.2	178	73.4	0	0	0	0	113.6	P7 D8 D9 C43 R44	P7-S11 WeakPolarHBondContact CB-OG 3.38Å; D8-S11 VanDerWaalsContact O-CB 3.32Å; D8-S11 WeakPolarHBondContact O-CB 2.88Å; D8-S11 PolarHBondContact O-N 3.03Å; D8-S11 PolarHBondContact O-OG 2.79Å; D9-S11 VanDerWaalsContact C-N 3.34Å; S11-C43 CarbonylContact O-C 3.54Å; S11-C43 WeakPolarHBondContact O-CA 3.29Å; S11-R44 PolarHBondContact O-N 3.12Å
12	Y	90.4	Very high	78.9	Confident	34 Å²	34	72.3 Å²	72.3	13%	0.133	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	117.8	-176.8	-73.6	-98.1	0	0	0	112.1	P7 D8 D9 D10 R15 C43 H59	P7-Y12 HydrophobicContact CB-CE2 4.38Å; P7-Y12 HydrophobicContact CG-CE2 4.39Å; D8-Y12 WeakPolarHBondContact O-CD2 3.21Å; D9-Y12 WeakPolarHBondContact O-CD2 3.42Å; D10-Y12 VanDerWaalsContact C-N 3.34Å; Y12-R15 HydrophobicContact CD1-CB 4.31Å; Y12-R15 HydrophobicContact CD1-CG 4.36Å; Y12-C43 WeakPolarHBondContact CE1-SG 3.39Å; Y12-C43 VanDerWaalsContact CZ-SG 3.51Å; Y12-H59 PolarHBondContact OH-ND1 2.88Å
13	I	91.6	Very high	81.6	Confident	67 Å²	67	69.8 Å²	69.8	34%	0.344	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	-38.7	174.2	-50.9	167.9	0	0	0	110.5	V42 R44 F56 A117	I13-V42 HydrophobicContact CD1-CG1 4.16Å; I13-V42 PolarHBondContact N-O 3.12Å; I13-R44 HydrophobicContact CD1-CB 4.26Å; I13-R44 HydrophobicContact CG1-CB 4.32Å; I13-F56 HydrophobicContact CD1-CD1 3.57Å; I13-F56 HydrophobicContact CD1-CE1 3.5Å; I13-F56 VanDerWaalsContact CD1-CE1 3.5Å; I13-A117 HydrophobicContact CD1-CB 4.19Å
14	V	94.4	Very high	83.5	Confident	22 Å²	22	65 Å²	65	13%	0.133	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	147.7	175	68.4	0	0	0	0	109.1	V16 G41 V42 A109 F110	V14-V16 HydrophobicContact CG2-CG1 4.32Å; V14-G41 CarbonylContact O-C 3.57Å; V14-G41 WeakPolarHBondContact O-CA 3.45Å; V14-V42 HydrophobicContact CG1-CB 4.01Å; V14-V42 HydrophobicContact CG1-CG2 3.73Å; V14-V42 PolarHBondContact O-N 2.69Å; V14-A109 HydrophobicContact CG2-CB 4.3Å; V14-F110 HydrophobicContact CG1-CD2 4.14Å
15	R	94.6	Very high	84.9	Confident	91 Å²	91	64 Å²	64	34%	0.343	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	128	177.5	-171.1	156.9	63	-178	6.5	110.2	D9 Y12 R39 V40	D9-R15 IonicContact OD1-CZ 2.79Å; D9-R15 IonicContact OD1-NH1 3.63Å; D9-R15 PolarHBondContact OD1-NH1 3.36Å; D9-R15 IonicContact OD1-NH2 3.98Å; D9-R15 IonicContact OD2-CZ 2.74Å; D9-R15 IonicContact OD2-NH1 2.74Å; D9-R15 PolarHBondContact OD2-NH1 3Å; D9-R15 IonicContact OD2-NH2 3.58Å; D9-R15 PolarHBondContact OD2-NH2 2.72Å; Y12-R15 HydrophobicContact CD1-CB 4.31Å; Y12-R15 HydrophobicContact CD1-CG 4.36Å; R15-R39 HydrophobicContact CG-CG 3.79Å; R15-R39 VanDerWaalsContact CZ-NH1 3.33Å; R15-R39 VanDerWaalsContact NH1-NH1 3.14Å; R15-V40 WeakPolarHBondContact CA-O 3.42Å
16	V	96.2	Very high	86	Confident	12 Å²	12	63.5 Å²	63.5	7%	0.073	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	174.9	-175	-62.2	0	0	0	0	110.1	V14 V40 F101 D106 A109 F110	V14-V16 HydrophobicContact CG2-CG1 4.32Å; V16-V40 PolarHBondContact N-O 2.85Å; V16-V40 PolarHBondContact O-N 2.97Å; V16-F101 HydrophobicContact CG2-CD1 4.2Å; V16-F101 HydrophobicContact CG2-CE1 4Å; V16-D106 HydrophobicContact CB-CB 4.22Å; V16-D106 HydrophobicContact CG1-CB 4.15Å; V16-A109 HydrophobicContact CG1-CB 4.43Å; V16-F110 HydrophobicContact CG1-CB 4.41Å; V16-F110 HydrophobicContact CG2-CB 4.18Å; V16-F110 HydrophobicContact CG2-CD2 3.84Å; V16-F110 HydrophobicContact CG2-CG 4.31Å
17	T	95.6	Very high	86.6	Confident	38 Å²	38	59.1 Å²	59.1	23%	0.233	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	117.3	173.8	-59.3	0	0	0	0	110.8	L37 S38 L63 Q102	T17-L37 HydrophobicContact CG2-CB 4.03Å; T17-L37 HydrophobicContact CG2-CD2 4.26Å; T17-S38 WeakPolarHBondContact CA-O 3.31Å; T17-L63 HydrophobicContact CG2-CD1 3.74Å; T17-Q102 PolarHBondContact O-NE2 2.93Å; T17-Q102 VanDerWaalsContact O-NE2 3.1Å
18	A	96.9	Very high	87.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	163.2	-173.7	0	0	0	0	0	111.3	S38 L99 T100 F101	A18-S38 PolarHBondContact N-O 3.35Å; A18-S38 PolarHBondContact O-N 2.89Å; A18-L99 HydrophobicContact CB-CB 4.21Å; A18-L99 HydrophobicContact CB-CD2 4.24Å; A18-T100 WeakPolarHBondContact CA-O 3.48Å; A18-T100 WeakPolarHBondContact CB-O 3.16Å; A18-F101 HydrophobicContact CB-CD1 3.87Å; A18-F101 HydrophobicContact CB-CE1 4.29Å; A18-F101 HydrophobicContact CB-CG 4.46Å
19	V	96.7	Very high	88	Confident	27 Å²	27	54.5 Å²	54.5	16%	0.164	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	126.6	166.7	-176.6	0	0	0	0	108.3	M21 A32 L37 L99 T100	V19-M21 HydrophobicContact CG1-SD 4.1Å; V19-A32 HydrophobicContact CG1-CB 3.86Å; V19-L37 HydrophobicContact CG2-CD2 3.84Å; V19-L99 WeakPolarHBondContact O-CA 3.29Å; V19-T100 PolarHBondContact N-O 2.9Å; V19-T100 PolarHBondContact O-N 3.27Å
20	V	95.3	Very high	88.8	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	132.2	174.4	177.1	0	0	0	0	109.3	L33 V40 I69 L70 L99	V20-L33 HydrophobicContact CB-CB 4.18Å; V20-L33 HydrophobicContact CB-CD2 4.46Å; V20-L33 HydrophobicContact CG1-CB 4.1Å; V20-L33 HydrophobicContact CG1-CD2 3.82Å; V20-L33 WeakPolarHBondContact O-CB 3.2Å; V20-L33 PolarHBondContact O-N 2.79Å; V20-V40 HydrophobicContact CG2-CG2 4.1Å; V20-I69 HydrophobicContact CB-CD1 3.96Å; V20-I69 HydrophobicContact CB-CG1 4.49Å; V20-I69 HydrophobicContact CG2-CD1 3.87Å; V20-I69 HydrophobicContact CG2-CG1 4.1Å; V20-L70 HydrophobicContact CG1-CB 4.09Å; V20-L70 HydrophobicContact CG1-CD1 4.34Å; V20-L70 HydrophobicContact CG1-CD2 4.27Å; V20-L70 HydrophobicContact CG1-CG 4.48Å; V20-L70 HydrophobicContact CG2-CB 4.05Å; V20-L70 HydrophobicContact CG2-CD2 4.07Å; V20-L99 HydrophobicContact CG2-CD2 4.01Å
21	M	94.8	Very high	89.6	Confident	22 Å²	22	50.1 Å²	50.1	11%	0.108	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	141.5	178.1	-53.3	-63.3	-65.5	0	0	109.6	V19 W30 L31 A32 F87 G98 T100	V19-M21 HydrophobicContact CG1-SD 4.1Å; M21-W30 HydrophobicContact CB-CE3 4.24Å; M21-W30 HydrophobicContact CE-CB 4.05Å; M21-L31 CarbonylContact C-O 3.53Å; M21-L31 VanDerWaalsContact CA-O 3.3Å; M21-L31 WeakPolarHBondContact CA-O 3.39Å; M21-A32 HydrophobicContact CE-CB 4.09Å; M21-A32 VanDerWaalsContact SD-CA 3.59Å; M21-A32 HydrophobicContact SD-CB 3.69Å; M21-F87 HydrophobicContact CB-CE2 4.05Å; M21-F87 HydrophobicContact CG-CD2 4.36Å; M21-F87 HydrophobicContact CG-CE2 3.81Å; M21-G98 PolarHBondContact N-O 3.19Å; M21-G98 PolarHBondContact O-N 3.42Å; M21-T100 VanDerWaalsContact CG-OG1 3.29Å; M21-T100 WeakPolarHBondContact CG-OG1 3.22Å; M21-T100 PolarHBondContact SD-OG1 3.43Å
22	T	92.1	Very high	89.8	Confident	46 Å²	46	51.1 Å²	51.1	28%	0.282	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	150.3	168.3	56.4	0	0	0	0	109.2	L31 L33	T22-L31 PolarHBondContact N-O 3.05Å; T22-L31 PolarHBondContact O-N 3.31Å; T22-L33 HydrophobicContact CG2-CD2 4.37Å
23	R	89.5	Confident	89.4	Confident	99 Å²	99	51.8 Å²	51.8	37%	0.374	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	130	169.5	-153.2	179.5	-172.6	158.1	-2.7	109.7	G28 G29 W30 K96	R23-G28 VanDerWaalsContact CZ-O 3.26Å; R23-G28 PolarHBondContact NE-O 3.32Å; R23-G28 PolarHBondContact NH2-O 3.02Å; R23-G29 WeakPolarHBondContact CA-O 3.45Å; R23-G29 WeakPolarHBondContact CG-O 3.35Å; R23-W30 HydrophobicContact CB-CD2 4.4Å; R23-W30 HydrophobicContact CB-CE3 3.93Å; R23-W30 HydrophobicContact CB-CH2 4.16Å; R23-W30 HydrophobicContact CB-CZ3 3.8Å; R23-W30 HydrophobicContact CG-CD2 4.34Å; R23-W30 HydrophobicContact CG-CE3 4.36Å; R23-K96 HydrophobicContact CB-CB 3.7Å; R23-K96 HydrophobicContact CB-CD 4.22Å; R23-K96 VanDerWaalsContact CD-CD 3.5Å; R23-K96 HydrophobicContact CG-CD 4.48Å; R23-K96 PolarHBondContact N-O 2.87Å; R23-K96 VanDerWaalsContact N-O 3.09Å
24	D	82.4	Confident	88.7	Confident	42 Å²	42	53.2 Å²	53.2	23%	0.225	30%	0.3	C	S	.	.			trans	-85.8	119.1	165.8	162.4	37.6	0	0	0	108.6	S26 S27 G28 G29 L31	D24-S26 VanDerWaalsContact CG-OG 3.22Å; D24-S26 PolarHBondContact O-N 2.92Å; D24-S26 WeakPolarHBondContact OD1-CB 3.08Å; D24-S26 PolarHBondContact OD1-N 3.21Å; D24-S26 PolarHBondContact OD1-OG 3.04Å; D24-S26 PolarHBondContact OD2-OG 3.46Å; D24-S27 WeakPolarHBondContact OD2-CB 3.21Å; D24-S27 PolarHBondContact OD2-N 3.37Å; D24-S27 PolarHBondContact OD2-OG 3.17Å; D24-G28 CarbonylContact O-C 3.2Å; D24-G28 WeakPolarHBondContact O-CA 3.46Å; D24-G28 PolarHBondContact O-N 2.93Å; D24-G29 PolarHBondContact N-O 3.17Å; D24-L31 HydrophobicContact CB-CD1 3.74Å; D24-L31 HydrophobicContact CB-CG 4.12Å
25	E	80	Confident	88	Confident	123 Å²	123	54.7 Å²	54.7	58%	0.575	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-8.3	-179.6	-60.8	-67.7	120.4	0	0	112.6	K96	E25-K96 WeakPolarHBondContact OE1-CD 3.45Å; E25-K96 IonicContact OE1-NZ 3.71Å; E25-K96 PolarHBondContact OE1-NZ 2.65Å; E25-K96 IonicContact OE2-NZ 3.37Å; E25-K96 PolarHBondContact OE2-NZ 3.17Å
26	S	78.3	Confident	87.6	Confident	108 Å²	108	52.2 Å²	52.2	76%	0.755	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-44.6	176.6	73.1	0	0	0	0	113.7	D24	D24-S26 VanDerWaalsContact CG-OG 3.22Å; D24-S26 PolarHBondContact O-N 2.92Å; D24-S26 WeakPolarHBondContact OD1-CB 3.08Å; D24-S26 PolarHBondContact OD1-N 3.21Å; D24-S26 PolarHBondContact OD1-OG 3.04Å; D24-S26 PolarHBondContact OD2-OG 3.46Å
27	S	76.4	Confident	87.5	Confident	82 Å²	82	55 Å²	55	57%	0.573	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-17.4	170.1	65.8	0	0	0	0	113.6	D24 G29	D24-S27 WeakPolarHBondContact OD2-CB 3.21Å; D24-S27 PolarHBondContact OD2-N 3.37Å; D24-S27 PolarHBondContact OD2-OG 3.17Å; S27-G29 PolarHBondContact O-N 2.83Å; S27-G29 PolarHBondContact OG-N 2.75Å
28	G	80.1	Confident	87.5	Confident	29 Å²	29	53.2 Å²	53.2	30%	0.299	32%	0.319	S	S	.	.			trans	70.4	3.2	-170.5	0	0	0	0	0	114.2	R23 D24	R23-G28 VanDerWaalsContact CZ-O 3.26Å; R23-G28 PolarHBondContact NE-O 3.32Å; R23-G28 PolarHBondContact NH2-O 3.02Å; D24-G28 CarbonylContact O-C 3.2Å; D24-G28 WeakPolarHBondContact O-CA 3.46Å; D24-G28 PolarHBondContact O-N 2.93Å
29	G	86.9	Confident	87.4	Confident	26 Å²	26	56.5 Å²	56.5	27%	0.268	33%	0.331	S	S	.	.			trans	-90.2	172.7	-177.2	0	0	0	0	0	114.4	R23 D24 S27	R23-G29 WeakPolarHBondContact CA-O 3.45Å; R23-G29 WeakPolarHBondContact CG-O 3.35Å; D24-G29 PolarHBondContact N-O 3.17Å; S27-G29 PolarHBondContact O-N 2.83Å; S27-G29 PolarHBondContact OG-N 2.75Å
30	W	90.9	Very high	87.4	Confident	66 Å²	66	55.2 Å²	55.2	25%	0.25	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	125.1	173.3	-67.7	105.5	0	0	0	110.2	M21 R23 F87 H89 K96	M21-W30 HydrophobicContact CB-CE3 4.24Å; M21-W30 HydrophobicContact CE-CB 4.05Å; R23-W30 HydrophobicContact CB-CD2 4.4Å; R23-W30 HydrophobicContact CB-CE3 3.93Å; R23-W30 HydrophobicContact CB-CH2 4.16Å; R23-W30 HydrophobicContact CB-CZ3 3.8Å; R23-W30 HydrophobicContact CG-CD2 4.34Å; R23-W30 HydrophobicContact CG-CE3 4.36Å; W30-F87 AromaticContact CD1-CE1 3.91Å; W30-F87 AromaticContact CD1-CZ 3.97Å; W30-F87 HydrophobicContact CD2-CE1 4.25Å; W30-F87 AromaticContact CD2-CZ 3.6Å; W30-F87 HydrophobicContact CD2-CZ 3.6Å; W30-F87 AromaticContact CE2-CE1 3.96Å; W30-F87 AromaticContact CE2-CZ 3.65Å; W30-F87 HydrophobicContact CE3-CZ 4.03Å; W30-F87 HydrophobicContact CG-CE1 4.24Å; W30-F87 AromaticContact CG-CZ 3.84Å; W30-F87 HydrophobicContact CG-CZ 3.84Å; W30-F87 HydrophobicContact CZ2-CZ 4.14Å; W30-F87 HydrophobicContact CZ3-CZ 4.46Å; W30-F87 AromaticContact NE1-CE1 3.72Å; W30-F87 AromaticContact NE1-CZ 3.85Å; W30-H89 HydrophobicContact CH2-CB 3.46Å; W30-H89 VanDerWaalsContact CH2-CB 3.46Å; W30-H89 AromaticContact CH2-CG 3.72Å; W30-H89 HydrophobicContact CZ2-CB 3.71Å; W30-H89 AromaticContact CZ2-CD2 3.48Å; W30-H89 VanDerWaalsContact CZ2-CD2 3.48Å; W30-H89 WeakPolarHBondContact CZ2-CD2 3.47Å; W30-H89 AromaticContact CZ2-CG 3.48Å; W30-H89 VanDerWaalsContact CZ2-CG 3.48Å; W30-H89 HydrophobicContact CZ3-CB 4.23Å; W30-K96 HydrophobicContact CH2-CB 4Å; W30-K96 HydrophobicContact CZ3-CB 4.33Å
31	L	91.4	Very high	87.4	Confident	93 Å²	93	55.2 Å²	55.2	49%	0.487	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	141.6	176.1	-59.5	-177.8	0	0	0	109.7	M21 T22 D24	M21-L31 CarbonylContact C-O 3.53Å; M21-L31 VanDerWaalsContact CA-O 3.3Å; M21-L31 WeakPolarHBondContact CA-O 3.39Å; T22-L31 PolarHBondContact N-O 3.05Å; T22-L31 PolarHBondContact O-N 3.31Å; D24-L31 HydrophobicContact CB-CD1 3.74Å; D24-L31 HydrophobicContact CB-CG 4.12Å
32	A	90.9	Very high	87.4	Confident	47 Å²	47	54.1 Å²	54.1	39%	0.388	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	126.1	174.4	0	0	0	0	0	110	V19 M21 D34 G35	V19-A32 HydrophobicContact CG1-CB 3.86Å; M21-A32 HydrophobicContact CE-CB 4.09Å; M21-A32 VanDerWaalsContact SD-CA 3.59Å; M21-A32 HydrophobicContact SD-CB 3.69Å; A32-D34 PolarHBondContact O-N 3.44Å; A32-D34 VanDerWaalsContact O-N 3.13Å; A32-G35 PolarHBondContact O-N 3.2Å
33	L	82.6	Confident	87.4	Confident	48 Å²	48	52 Å²	52	25%	0.251	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	107.6	178	-165.4	58.3	0	0	0	108.6	V20 T22 G35 I69	V20-L33 HydrophobicContact CB-CB 4.18Å; V20-L33 HydrophobicContact CB-CD2 4.46Å; V20-L33 HydrophobicContact CG1-CB 4.1Å; V20-L33 HydrophobicContact CG1-CD2 3.82Å; V20-L33 WeakPolarHBondContact O-CB 3.2Å; V20-L33 PolarHBondContact O-N 2.79Å; T22-L33 HydrophobicContact CG2-CD2 4.37Å; L33-G35 PolarHBondContact O-N 3.25Å; L33-I69 HydrophobicContact CD2-CB 3.86Å; L33-I69 HydrophobicContact CD2-CD1 4.18Å; L33-I69 HydrophobicContact CD2-CG1 4.26Å; L33-I69 VanDerWaalsContact CD2-O 3.23Å; L33-I69 WeakPolarHBondContact CD2-O 3.37Å; L33-I69 HydrophobicContact CG-CD1 4.36Å
34	D	76.9	Confident	87.4	Confident	96 Å²	96	51.6 Å²	51.6	51%	0.513	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55	5.5	-169.9	-51.4	-45.6	0	0	0	116.5	A32 C36 R62	A32-D34 PolarHBondContact O-N 3.44Å; A32-D34 VanDerWaalsContact O-N 3.13Å; D34-C36 HydrophobicContact CB-CB 4.42Å; D34-C36 PolarHBondContact O-N 2.99Å; D34-C36 VanDerWaalsContact O-N 3.11Å; D34-C36 PolarHBondContact O-SG 3.08Å; D34-R62 IonicContact OD2-CZ 3.69Å; D34-R62 IonicContact OD2-NH1 2.75Å; D34-R62 PolarHBondContact OD2-NH1 2.91Å
35	G	79.7	Confident	87.6	Confident	53 Å²	53	51.7 Å²	51.7	55%	0.546	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	62	12.3	-174.8	0	0	0	0	0	115.1	A32 L33	A32-G35 PolarHBondContact O-N 3.2Å; L33-G35 PolarHBondContact O-N 3.25Å
36	C	86.4	Confident	87.5	Confident	40 Å²	40	56 Å²	56	27%	0.27	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	142.7	-167.7	-73.4	0	0	0	0	113.5	D34 S38 R62	D34-C36 HydrophobicContact CB-CB 4.42Å; D34-C36 PolarHBondContact O-N 2.99Å; D34-C36 VanDerWaalsContact O-N 3.11Å; D34-C36 PolarHBondContact O-SG 3.08Å; C36-S38 PolarHBondContact O-OG 2.78Å; C36-R62 HydrophobicContact CB-CG 3.9Å
37	L	93.6	Very high	86.7	Confident	71 Å²	71	57.3 Å²	57.3	37%	0.372	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	135.3	166	-68.9	175.7	0	0	0	110.5	T17 V19 L63 Q102	T17-L37 HydrophobicContact CG2-CB 4.03Å; T17-L37 HydrophobicContact CG2-CD2 4.26Å; V19-L37 HydrophobicContact CG2-CD2 3.84Å; L37-L63 HydrophobicContact CB-CD1 3.96Å; L37-L63 WeakPolarHBondContact O-CB 3.49Å; L37-L63 PolarHBondContact O-N 2.98Å; L37-Q102 HydrophobicContact CD2-CG 3.85Å
38	S	95.3	Very high	85.6	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	143.2	-173.3	-59.2	0	0	0	0	110	T17 A18 C36 V40 E61 I69	T17-S38 WeakPolarHBondContact CA-O 3.31Å; A18-S38 PolarHBondContact N-O 3.35Å; A18-S38 PolarHBondContact O-N 2.89Å; C36-S38 PolarHBondContact O-OG 2.78Å; S38-V40 PolarHBondContact O-N 3.07Å; S38-E61 CarbonylContact C-O 3.6Å; S38-E61 WeakPolarHBondContact CA-O 3.35Å; S38-E61 VanDerWaalsContact CB-O 3.26Å; S38-E61 WeakPolarHBondContact CB-O 3.41Å; S38-I69 VanDerWaalsContact OG-CD1 3.31Å; S38-I69 WeakPolarHBondContact OG-CD1 3.34Å
39	R	95.1	Very high	84.2	Confident	68 Å²	68	62.5 Å²	62.5	26%	0.257	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	109.4	173.2	-174.5	168.1	80.7	142.6	8.8	106.8	D9 R15 G60 E61 L63	D9-R39 IonicContact OD1-CZ 2.71Å; D9-R39 IonicContact OD1-NH1 3.74Å; D9-R39 IonicContact OD1-NH2 2.75Å; D9-R39 PolarHBondContact OD1-NH2 3.09Å; D9-R39 IonicContact OD2-NH1 3.59Å; R15-R39 HydrophobicContact CG-CG 3.79Å; R15-R39 VanDerWaalsContact CZ-NH1 3.33Å; R15-R39 VanDerWaalsContact NH1-NH1 3.14Å; R39-G60 WeakPolarHBondContact O-CA 3.15Å; R39-E61 HydrophobicContact CB-CG 3.92Å; R39-E61 IonicContact CZ-OE1 3.72Å; R39-E61 PolarHBondContact N-O 2.8Å; R39-E61 IonicContact NE-OE1 3.13Å; R39-E61 PolarHBondContact NE-OE1 3.3Å; R39-E61 IonicContact NH2-OE1 2.73Å; R39-E61 PolarHBondContact NH2-OE1 2.93Å; R39-E61 PolarHBondContact O-N 3.27Å; R39-L63 HydrophobicContact CB-CD2 3.84Å
40	V	95.7	Very high	82.3	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.5	-174.7	-171	0	0	0	0	109.6	R15 V16 V20 S38 I58 H59 L70 L99 F110	R15-V40 WeakPolarHBondContact CA-O 3.42Å; V16-V40 PolarHBondContact N-O 2.85Å; V16-V40 PolarHBondContact O-N 2.97Å; V20-V40 HydrophobicContact CG2-CG2 4.1Å; S38-V40 PolarHBondContact O-N 3.07Å; V40-I58 HydrophobicContact CG1-CG2 4.01Å; V40-H59 WeakPolarHBondContact CA-O 3.44Å; V40-L70 HydrophobicContact CG1-CD2 4.02Å; V40-L99 HydrophobicContact CB-CD2 4.42Å; V40-L99 HydrophobicContact CG1-CD1 3.89Å; V40-L99 HydrophobicContact CG1-CD2 4.06Å; V40-L99 HydrophobicContact CG2-CD2 4.01Å; V40-F110 HydrophobicContact CG1-CE2 4.01Å; V40-F110 HydrophobicContact CG1-CZ 4.33Å
41	G	95.3	Very high	80.6	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	172.3	179.9	0	0	0	0	0	113.5	V14 I58 H59	V14-G41 CarbonylContact O-C 3.57Å; V14-G41 WeakPolarHBondContact O-CA 3.45Å; G41-I58 WeakPolarHBondContact O-CA 3.19Å; G41-H59 PolarHBondContact N-O 3.08Å; G41-H59 PolarHBondContact O-N 3.45Å
42	V	95.3	Very high	78.8	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	114.5	174	-173	0	0	0	0	108.1	I13 V14 L57 I58 L74 F110 V114 A117	I13-V42 HydrophobicContact CD1-CG1 4.16Å; I13-V42 PolarHBondContact N-O 3.12Å; V14-V42 HydrophobicContact CG1-CB 4.01Å; V14-V42 HydrophobicContact CG1-CG2 3.73Å; V14-V42 PolarHBondContact O-N 2.69Å; V42-L57 CarbonylContact C-O 3.57Å; V42-L57 WeakPolarHBondContact CA-O 3.35Å; V42-I58 HydrophobicContact CG2-CG1 4.35Å; V42-L74 HydrophobicContact CG1-CD1 3.74Å; V42-F110 HydrophobicContact CG2-CD2 4.45Å; V42-F110 HydrophobicContact CG2-CE2 3.89Å; V42-F110 HydrophobicContact CG2-CZ 4.13Å; V42-V114 HydrophobicContact CG2-CG2 3.69Å; V42-A117 HydrophobicContact CG1-CB 3.74Å
43	C	92.7	Very high	77.5	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	140.7	-179.9	-53	0	0	0	0	110.4	P7 S11 Y12 F56 L57	P7-C43 HydrophobicContact CB-CB 3.91Å; P7-C43 HydrophobicContact CG-CB 4.42Å; S11-C43 CarbonylContact O-C 3.54Å; S11-C43 WeakPolarHBondContact O-CA 3.29Å; Y12-C43 WeakPolarHBondContact CE1-SG 3.39Å; Y12-C43 VanDerWaalsContact CZ-SG 3.51Å; C43-F56 VanDerWaalsContact O-CA 3.26Å; C43-F56 WeakPolarHBondContact O-CA 3.35Å; C43-L57 HydrophobicContact CB-CB 4.46Å; C43-L57 PolarHBondContact N-O 3.35Å; C43-L57 PolarHBondContact O-N 2.89Å
44	R	90.1	Very high	77.4	Confident	91 Å²	91	74.6 Å²	74.6	34%	0.343	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	106.3	169.2	-179.7	170	169.7	171.3	-11.1	109.6	S11 I13 N54 F56 D120	S11-R44 PolarHBondContact O-N 3.12Å; I13-R44 HydrophobicContact CD1-CB 4.26Å; I13-R44 HydrophobicContact CG1-CB 4.32Å; R44-N54 HydrophobicContact CG-CB 4.38Å; R44-N54 VanDerWaalsContact CZ-CG 3.47Å; R44-N54 VanDerWaalsContact NE-CG 3.29Å; R44-N54 PolarHBondContact NE-OD1 2.71Å; R44-N54 VanDerWaalsContact NH2-CG 3.3Å; R44-N54 PolarHBondContact NH2-ND2 2.84Å; R44-N54 PolarHBondContact NH2-OD1 3.16Å; R44-F56 HydrophobicContact CB-CD1 3.86Å; R44-F56 HydrophobicContact CB-CE1 3.65Å; R44-F56 HydrophobicContact CG-CD1 4.11Å; R44-F56 HydrophobicContact CG-CE1 3.55Å; R44-F56 HydrophobicContact CG-CZ 3.97Å; R44-D120 IonicContact CZ-OD2 2.69Å; R44-D120 IonicContact NH1-OD2 3.68Å; R44-D120 PolarHBondContact NH1-OD2 2.9Å
45	L	86.6	Confident	78	Confident	45 Å²	45	72 Å²	72	24%	0.236	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124.1	177	-58.9	175.6	0	0	0	109.7	P7 S55 L57 F73	P7-L45 HydrophobicContact CB-CD2 4.41Å; L45-S55 PolarHBondContact N-O 3.06Å; L45-S55 PolarHBondContact O-N 3.33Å; L45-L57 HydrophobicContact CD1-CB 3.89Å; L45-L57 HydrophobicContact CD1-CD2 4.23Å; L45-L57 HydrophobicContact CG-CB 4.36Å; L45-F73 HydrophobicContact CD1-CD1 4.43Å; L45-F73 HydrophobicContact CD1-CE1 3.68Å; L45-F73 HydrophobicContact CD1-CZ 4.49Å
46	R	76.9	Confident	78.6	Confident	213 Å²	213	69.5 Å²	69.5	80%	0.804	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	112.2	169.2	-65.9	179.9	-179	166.6	1.9	107.9	D48	R46-D48 PolarHBondContact O-N 2.79Å
47	L	62	Low	78.9	Confident	135 Å²	135	67.8 Å²	67.8	71%	0.707	35%	0.353	S	S	*	.			trans	-83.1	111.7	174.9	-170.6	67.7	0	0	0	108.9	G49	L47-G49 VanDerWaalsContact C-N 3.31Å; L47-G49 PolarHBondContact O-N 2.74Å
48	D	53.4	Low	79	Confident	174 Å²	174	64.4 Å²	64.4	93%	0.93	34%	0.335	S	S	*	.			trans	-79	78.9	-175.2	-160	19.4	0	0	0	110.8	R46	R46-D48 PolarHBondContact O-N 2.79Å
49	G	50.1	Low	79	Confident	47 Å²	47	64.9 Å²	64.9	49%	0.485	34%	0.338	S	S	.	.	S	Bend	trans	-177.8	86.8	-172.8	0	0	0	0	0	115.3	L47 Q51	L47-G49 VanDerWaalsContact C-N 3.31Å; L47-G49 PolarHBondContact O-N 2.74Å; G49-Q51 PolarHBondContact O-N 2.89Å
50	L	47.1	Very low	78.9	Confident	189 Å²	189	61.7 Å²	61.7	99%	0.99	33%	0.325	S	S	*	.	S	Bend	trans	57.3	3.6	158.1	-73.1	169.9	0	0	0	120.1
51	Q	54.5	Low	78.8	Confident	105 Å²	105	62.5 Å²	62.5	49%	0.491	33%	0.329	S	S	.	.	S	Bend	trans	-145.9	134.4	159.2	-108.3	176.6	8.4	0	0	110.1	G49 R53	G49-Q51 PolarHBondContact O-N 2.89Å; Q51-R53 HydrophobicContact CB-CG 4.45Å; Q51-R53 PolarHBondContact O-N 3.35Å
52	G	54.3	Low	78.7	Confident	81 Å²	81	64.1 Å²	64.1	84%	0.835	34%	0.336	S	S	*	.			trans	-70.8	32.1	-178.3	0	0	0	0	0	115.3	N54	G52-N54 PolarHBondContact O-N 3.45Å
53	R	64.8	Low	78.5	Confident	124 Å²	124	68.5 Å²	68.5	47%	0.468	36%	0.358	S	S	.	.			trans	-75.6	109.9	-179.6	-79.8	176.7	149.2	173.4	-12.1	109.9	Q51 S55 S125	Q51-R53 HydrophobicContact CB-CG 4.45Å; Q51-R53 PolarHBondContact O-N 3.35Å; R53-S55 PolarHBondContact O-N 3.09Å; R53-S125 PolarHBondContact NH2-OG 2.81Å; R53-S125 VanDerWaalsContact NH2-OG 3.12Å
54	N	80.3	Confident	78.3	Confident	35 Å²	35	77.2 Å²	77.2	19%	0.187	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	123.1	167.1	-54.5	-56.3	0	0	0	108.6	R44 G52 F56 L121	R44-N54 HydrophobicContact CG-CB 4.38Å; R44-N54 VanDerWaalsContact CZ-CG 3.47Å; R44-N54 VanDerWaalsContact NE-CG 3.29Å; R44-N54 PolarHBondContact NE-OD1 2.71Å; R44-N54 VanDerWaalsContact NH2-CG 3.3Å; R44-N54 PolarHBondContact NH2-ND2 2.84Å; R44-N54 PolarHBondContact NH2-OD1 3.16Å; G52-N54 PolarHBondContact O-N 3.45Å; N54-F56 HydrophobicContact CB-CD2 4.24Å; N54-F56 HydrophobicContact CB-CE2 3.35Å; N54-F56 HydrophobicContact CB-CZ 3.56Å; N54-L121 WeakPolarHBondContact O-CD2 3.23Å
55	S	88.8	Confident	78.3	Confident	41 Å²	41	76.9 Å²	76.9	29%	0.287	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	154.2	164.2	-176.7	0	0	0	0	108.5	L45 R53	L45-S55 PolarHBondContact N-O 3.06Å; L45-S55 PolarHBondContact O-N 3.33Å; R53-S55 PolarHBondContact O-N 3.09Å
56	F	92.8	Very high	78.4	Confident	0 Å²	0	83.7 Å²	83.7	0%	0	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	147.2	-178.6	-60.1	-100	0	0	0	111.4	I13 C43 R44 N54 L74 A117 D120 L121	I13-F56 HydrophobicContact CD1-CD1 3.57Å; I13-F56 HydrophobicContact CD1-CE1 3.5Å; I13-F56 VanDerWaalsContact CD1-CE1 3.5Å; C43-F56 VanDerWaalsContact O-CA 3.26Å; C43-F56 WeakPolarHBondContact O-CA 3.35Å; R44-F56 HydrophobicContact CB-CD1 3.86Å; R44-F56 HydrophobicContact CB-CE1 3.65Å; R44-F56 HydrophobicContact CG-CD1 4.11Å; R44-F56 HydrophobicContact CG-CE1 3.55Å; R44-F56 HydrophobicContact CG-CZ 3.97Å; N54-F56 HydrophobicContact CB-CD2 4.24Å; N54-F56 HydrophobicContact CB-CE2 3.35Å; N54-F56 HydrophobicContact CB-CZ 3.56Å; F56-L74 HydrophobicContact CB-CB 4.12Å; F56-L74 HydrophobicContact CB-CD1 3.85Å; F56-L74 HydrophobicContact CB-CG 4.29Å; F56-L74 PolarHBondContact O-N 3.16Å; F56-A117 HydrophobicContact CB-CB 4.04Å; F56-A117 HydrophobicContact CD1-CB 3.59Å; F56-A117 HydrophobicContact CD2-CB 4.47Å; F56-A117 HydrophobicContact CE1-CB 4.09Å; F56-A117 HydrophobicContact CG-CB 3.8Å; F56-D120 HydrophobicContact CE1-CB 4.3Å; F56-D120 HydrophobicContact CE2-CB 3.73Å; F56-D120 HydrophobicContact CZ-CB 3.35Å; F56-D120 WeakPolarHBondContact CZ-OD2 3.34Å; F56-L121 HydrophobicContact CD2-CD1 3.97Å; F56-L121 HydrophobicContact CD2-CD2 3.86Å; F56-L121 HydrophobicContact CD2-CG 3.52Å; F56-L121 HydrophobicContact CE2-CD2 4.27Å; F56-L121 HydrophobicContact CE2-CG 3.88Å
57	L	93.3	Very high	79.1	Confident	4 Å²	4	78.5 Å²	78.5	2%	0.021	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	127.7	-170.4	-178.7	71.5	0	0	0	109.8	V42 C43 L45 H59 E71 F73	V42-L57 CarbonylContact C-O 3.57Å; V42-L57 WeakPolarHBondContact CA-O 3.35Å; C43-L57 HydrophobicContact CB-CB 4.46Å; C43-L57 PolarHBondContact N-O 3.35Å; C43-L57 PolarHBondContact O-N 2.89Å; L45-L57 HydrophobicContact CD1-CB 3.89Å; L45-L57 HydrophobicContact CD1-CD2 4.23Å; L45-L57 HydrophobicContact CG-CB 4.36Å; L57-H59 HydrophobicContact CD2-CB 4.17Å; L57-H59 HydrophobicContact CG-CB 4.37Å; L57-H59 PolarHBondContact O-N 2.91Å; L57-E71 HydrophobicContact CD1-CG 3.73Å; L57-E71 HydrophobicContact CD2-CG 4.15Å; L57-E71 HydrophobicContact CG-CG 4.38Å; L57-F73 HydrophobicContact CD1-CB 4.48Å; L57-F73 HydrophobicContact CD1-CD1 3.87Å; L57-F73 HydrophobicContact CD1-CD2 3.82Å; L57-F73 HydrophobicContact CD1-CE1 3.95Å; L57-F73 HydrophobicContact CD1-CE2 3.88Å; L57-F73 HydrophobicContact CD1-CG 3.8Å; L57-F73 HydrophobicContact CD1-CZ 3.95Å
58	I	94.9	Very high	80.5	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	114	159	-63.3	172.6	0	0	0	107	V40 G41 V42 L70 E71 C72 L74 W90 F110 V114	V40-I58 HydrophobicContact CG1-CG2 4.01Å; G41-I58 WeakPolarHBondContact O-CA 3.19Å; V42-I58 HydrophobicContact CG2-CG1 4.35Å; I58-L70 HydrophobicContact CG2-CD2 3.77Å; I58-L70 HydrophobicContact CG2-CG 4.26Å; I58-E71 WeakPolarHBondContact O-CA 3.42Å; I58-C72 HydrophobicContact CB-CB 4.23Å; I58-C72 PolarHBondContact N-O 3.28Å; I58-C72 PolarHBondContact O-N 3.43Å; I58-L74 HydrophobicContact CD1-CD2 3.75Å; I58-L74 HydrophobicContact CG1-CD2 3.86Å; I58-L74 HydrophobicContact CG1-CG 4.33Å; I58-W90 HydrophobicContact CB-CZ2 4.39Å; I58-W90 HydrophobicContact CD1-CD2 4.2Å; I58-W90 HydrophobicContact CD1-CE3 4.41Å; I58-W90 HydrophobicContact CD1-CH2 3.82Å; I58-W90 HydrophobicContact CD1-CZ2 3.57Å; I58-W90 HydrophobicContact CD1-CZ3 4.24Å; I58-W90 HydrophobicContact CG2-CH2 4.04Å; I58-W90 HydrophobicContact CG2-CZ2 3.91Å; I58-F110 HydrophobicContact CD1-CE1 4.33Å; I58-F110 HydrophobicContact CD1-CZ 4.01Å; I58-F110 HydrophobicContact CG1-CZ 4.06Å; I58-F110 HydrophobicContact CG2-CZ 3.88Å; I58-V114 HydrophobicContact CD1-CG2 4.18Å
59	H	94.4	Very high	82.4	Confident	11 Å²	11	68.4 Å²	68.4	5%	0.051	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	133.4	178.6	176.7	-97.6	0	0	0	109.7	P7 Y12 V40 G41 L57 V68 L70	P7-H59 HydrophobicContact CG-CB 4.42Å; Y12-H59 PolarHBondContact OH-ND1 2.88Å; V40-H59 WeakPolarHBondContact CA-O 3.44Å; G41-H59 PolarHBondContact N-O 3.08Å; G41-H59 PolarHBondContact O-N 3.45Å; L57-H59 HydrophobicContact CD2-CB 4.17Å; L57-H59 HydrophobicContact CG-CB 4.37Å; L57-H59 PolarHBondContact O-N 2.91Å; H59-V68 WeakPolarHBondContact NE2-CG2 3.44Å; H59-L70 CarbonylContact C-O 3.54Å; H59-L70 WeakPolarHBondContact CA-O 3.21Å
60	G	93.9	Very high	84.3	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	118.2	179.8	0	0	0	0	0	112.9	R39 I69 L70	R39-G60 WeakPolarHBondContact O-CA 3.15Å; G60-I69 PolarHBondContact O-N 2.97Å; G60-L70 PolarHBondContact N-O 3.31Å; G60-L70 PolarHBondContact O-N 3.46Å; G60-L70 VanDerWaalsContact O-N 3.15Å
61	E	93.6	Very high	86.5	Confident	18 Å²	18	62.5 Å²	62.5	8%	0.084	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	138	176.7	69.5	-173.3	125.4	0	0	111.4	S38 R39 L63 R66 Q67	S38-E61 CarbonylContact C-O 3.6Å; S38-E61 WeakPolarHBondContact CA-O 3.35Å; S38-E61 VanDerWaalsContact CB-O 3.26Å; S38-E61 WeakPolarHBondContact CB-O 3.41Å; R39-E61 HydrophobicContact CB-CG 3.92Å; R39-E61 IonicContact CZ-OE1 3.72Å; R39-E61 PolarHBondContact N-O 2.8Å; R39-E61 IonicContact NE-OE1 3.13Å; R39-E61 PolarHBondContact NE-OE1 3.3Å; R39-E61 IonicContact NH2-OE1 2.73Å; R39-E61 PolarHBondContact NH2-OE1 2.93Å; R39-E61 PolarHBondContact O-N 3.27Å; E61-L63 PolarHBondContact O-N 3.04Å; E61-R66 WeakPolarHBondContact OE2-CB 3.47Å; E61-Q67 CarbonylContact C-O 3.55Å; E61-Q67 WeakPolarHBondContact CA-O 3.45Å
62	R	93.1	Very high	88.2	Confident	34 Å²	34	58 Å²	58	13%	0.128	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	124.9	177.6	-172	169.5	64.6	-156.2	-1.8	110	D34 C36 K64 D65 R66 Q67 I69	D34-R62 IonicContact OD2-CZ 3.69Å; D34-R62 IonicContact OD2-NH1 2.75Å; D34-R62 PolarHBondContact OD2-NH1 2.91Å; C36-R62 HydrophobicContact CB-CG 3.9Å; R62-K64 HydrophobicContact CG-CB 4.4Å; R62-K64 PolarHBondContact O-N 3.07Å; R62-K64 VanDerWaalsContact O-N 3.07Å; R62-D65 IonicContact CZ-OD1 3.72Å; R62-D65 IonicContact CZ-OD2 3.79Å; R62-D65 IonicContact NE-OD1 3.77Å; R62-D65 PolarHBondContact NE-OD1 2.67Å; R62-D65 IonicContact NE-OD2 3.53Å; R62-D65 VanDerWaalsContact NH2-CG 3.33Å; R62-D65 IonicContact NH2-OD1 2.65Å; R62-D65 PolarHBondContact NH2-OD1 3.34Å; R62-D65 IonicContact NH2-OD2 3.44Å; R62-D65 PolarHBondContact NH2-OD2 2.98Å; R62-D65 PolarHBondContact O-N 3.38Å; R62-R66 VanDerWaalsContact O-CA 3.3Å; R62-R66 WeakPolarHBondContact O-CA 3.01Å; R62-R66 PolarHBondContact O-N 2.87Å; R62-Q67 PolarHBondContact N-O 2.76Å; R62-I69 HydrophobicContact CB-CD1 4.39Å; R62-I69 HydrophobicContact CB-CG2 4.19Å
63	L	90.6	Very high	90	Very high	92 Å²	92	59 Å²	59	48%	0.482	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-26	-172.7	-76.3	177.2	0	0	0	114.6	T17 L37 R39 E61	T17-L63 HydrophobicContact CG2-CD1 3.74Å; L37-L63 HydrophobicContact CB-CD1 3.96Å; L37-L63 WeakPolarHBondContact O-CB 3.49Å; L37-L63 PolarHBondContact O-N 2.98Å; R39-L63 HydrophobicContact CB-CD2 3.84Å; E61-L63 PolarHBondContact O-N 3.04Å
64	K	89.1	Confident	91.2	Very high	182 Å²	182	53.6 Å²	53.6	79%	0.791	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-38.6	-175	-175.7	-179.3	176.8	-174.7	0	113.3	R62	R62-K64 HydrophobicContact CG-CB 4.4Å; R62-K64 PolarHBondContact O-N 3.07Å; R62-K64 VanDerWaalsContact O-N 3.07Å
65	D	90.3	Very high	91.6	Very high	84 Å²	84	56.8 Å²	56.8	45%	0.449	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.1	2.6	-166.2	64.3	-33.2	0	0	0	114.1	R62 Q67	R62-D65 IonicContact CZ-OD1 3.72Å; R62-D65 IonicContact CZ-OD2 3.79Å; R62-D65 IonicContact NE-OD1 3.77Å; R62-D65 PolarHBondContact NE-OD1 2.67Å; R62-D65 IonicContact NE-OD2 3.53Å; R62-D65 VanDerWaalsContact NH2-CG 3.33Å; R62-D65 IonicContact NH2-OD1 2.65Å; R62-D65 PolarHBondContact NH2-OD1 3.34Å; R62-D65 IonicContact NH2-OD2 3.44Å; R62-D65 PolarHBondContact NH2-OD2 2.98Å; R62-D65 PolarHBondContact O-N 3.38Å; D65-Q67 PolarHBondContact O-N 3.46Å
66	R	89.1	Confident	91.5	Very high	189 Å²	189	60.3 Å²	60.3	71%	0.713	27%	0.274	S	S	*	.			trans	60.2	24.5	-179.5	-51.8	-177.5	-172.7	171.5	-0.3	114.3	E61 R62 V68	E61-R66 WeakPolarHBondContact OE2-CB 3.47Å; R62-R66 VanDerWaalsContact O-CA 3.3Å; R62-R66 WeakPolarHBondContact O-CA 3.01Å; R62-R66 PolarHBondContact O-N 2.87Å; R66-V68 PolarHBondContact O-N 2.93Å
67	Q	90.8	Very high	91.2	Very high	104 Å²	104	65.5 Å²	65.5	49%	0.486	30%	0.301	S	S	.	.			trans	-65.5	128.2	167.9	-175.5	171.4	16.1	0	0	109.1	E61 R62 D65 I69	E61-Q67 CarbonylContact C-O 3.55Å; E61-Q67 WeakPolarHBondContact CA-O 3.45Å; R62-Q67 PolarHBondContact N-O 2.76Å; D65-Q67 PolarHBondContact O-N 3.46Å; Q67-I69 HydrophobicContact CG-CG2 4.28Å; Q67-I69 PolarHBondContact O-N 3.47Å
68	V	92.4	Very high	91	Very high	66 Å²	66	66.2 Å²	66.2	40%	0.4	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	123.1	169.9	-174.4	0	0	0	0	108.2	H59 R66 E71	H59-V68 WeakPolarHBondContact NE2-CG2 3.44Å; R66-V68 PolarHBondContact O-N 2.93Å; V68-E71 HydrophobicContact CG1-CB 4.46Å
69	I	91.5	Very high	90.8	Very high	30 Å²	30	70.9 Å²	70.9	15%	0.154	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	-12.5	-179.9	67.1	167.1	0	0	0	112.9	V20 L33 S38 G60 R62 Q67	V20-I69 HydrophobicContact CB-CD1 3.96Å; V20-I69 HydrophobicContact CB-CG1 4.49Å; V20-I69 HydrophobicContact CG2-CD1 3.87Å; V20-I69 HydrophobicContact CG2-CG1 4.1Å; L33-I69 HydrophobicContact CD2-CB 3.86Å; L33-I69 HydrophobicContact CD2-CD1 4.18Å; L33-I69 HydrophobicContact CD2-CG1 4.26Å; L33-I69 VanDerWaalsContact CD2-O 3.23Å; L33-I69 WeakPolarHBondContact CD2-O 3.37Å; L33-I69 HydrophobicContact CG-CD1 4.36Å; S38-I69 VanDerWaalsContact OG-CD1 3.31Å; S38-I69 WeakPolarHBondContact OG-CD1 3.34Å; G60-I69 PolarHBondContact O-N 2.97Å; R62-I69 HydrophobicContact CB-CD1 4.39Å; R62-I69 HydrophobicContact CB-CG2 4.19Å; Q67-I69 HydrophobicContact CG-CG2 4.28Å; Q67-I69 PolarHBondContact O-N 3.47Å
70	L	91.8	Very high	90.8	Very high	6 Å²	6	72.4 Å²	72.4	3%	0.031	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	123.1	176.2	179.3	64.1	0	0	0	109.5	V20 V40 I58 H59 G60 W90 C97 L99	V20-L70 HydrophobicContact CG1-CB 4.09Å; V20-L70 HydrophobicContact CG1-CD1 4.34Å; V20-L70 HydrophobicContact CG1-CD2 4.27Å; V20-L70 HydrophobicContact CG1-CG 4.48Å; V20-L70 HydrophobicContact CG2-CB 4.05Å; V20-L70 HydrophobicContact CG2-CD2 4.07Å; V40-L70 HydrophobicContact CG1-CD2 4.02Å; I58-L70 HydrophobicContact CG2-CD2 3.77Å; I58-L70 HydrophobicContact CG2-CG 4.26Å; H59-L70 CarbonylContact C-O 3.54Å; H59-L70 WeakPolarHBondContact CA-O 3.21Å; G60-L70 PolarHBondContact N-O 3.31Å; G60-L70 PolarHBondContact O-N 3.46Å; G60-L70 VanDerWaalsContact O-N 3.15Å; L70-W90 HydrophobicContact CD1-CZ2 4.24Å; L70-W90 HydrophobicContact CD2-CH2 4.09Å; L70-W90 HydrophobicContact CD2-CZ2 4.04Å; L70-C97 HydrophobicContact CD1-CB 4.1Å; L70-L99 HydrophobicContact CD2-CD2 3.95Å
71	E	92.1	Very high	90.8	Very high	107 Å²	107	75 Å²	75	50%	0.5	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	114.9	175.1	-167.5	166.8	-148.8	0	0	107.9	L57 I58 V68	L57-E71 HydrophobicContact CD1-CG 3.73Å; L57-E71 HydrophobicContact CD2-CG 4.15Å; L57-E71 HydrophobicContact CG-CG 4.38Å; I58-E71 WeakPolarHBondContact O-CA 3.42Å; V68-E71 HydrophobicContact CG1-CB 4.46Å
72	C	90.9	Very high	90.8	Very high	11 Å²	11	78.1 Å²	78.1	7%	0.074	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	105.9	-173.3	-79.6	0	0	0	0	110.3	I58 L74 L92	I58-C72 HydrophobicContact CB-CB 4.23Å; I58-C72 PolarHBondContact N-O 3.28Å; I58-C72 PolarHBondContact O-N 3.43Å; C72-L74 PolarHBondContact O-N 2.99Å; C72-L92 HydrophobicContact CB-CD2 3.86Å
73	F	91.4	Very high	90.8	Very high	102 Å²	102	79 Å²	79	45%	0.447	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	130	175.6	-71.9	-87.9	0	0	0	110.5	L45 L57 L92	L45-F73 HydrophobicContact CD1-CD1 4.43Å; L45-F73 HydrophobicContact CD1-CE1 3.68Å; L45-F73 HydrophobicContact CD1-CZ 4.49Å; L57-F73 HydrophobicContact CD1-CB 4.48Å; L57-F73 HydrophobicContact CD1-CD1 3.87Å; L57-F73 HydrophobicContact CD1-CD2 3.82Å; L57-F73 HydrophobicContact CD1-CE1 3.95Å; L57-F73 HydrophobicContact CD1-CE2 3.88Å; L57-F73 HydrophobicContact CD1-CG 3.8Å; L57-F73 HydrophobicContact CD1-CZ 3.95Å; F73-L92 WeakPolarHBondContact O-CD2 3.09Å
74	L	91	Very high	91	Very high	10 Å²	10	77.6 Å²	77.6	5%	0.052	38%	0.378	C	S	.	.			trans	-74.5	133.9	176.8	-67.1	-177.8	0	0	0	109.9	V42 F56 I58 C72 L78 V114 A117 L118 L121	V42-L74 HydrophobicContact CG1-CD1 3.74Å; F56-L74 HydrophobicContact CB-CB 4.12Å; F56-L74 HydrophobicContact CB-CD1 3.85Å; F56-L74 HydrophobicContact CB-CG 4.29Å; F56-L74 PolarHBondContact O-N 3.16Å; I58-L74 HydrophobicContact CD1-CD2 3.75Å; I58-L74 HydrophobicContact CG1-CD2 3.86Å; I58-L74 HydrophobicContact CG1-CG 4.33Å; C72-L74 PolarHBondContact O-N 2.99Å; L74-L78 HydrophobicContact CD2-CD2 3.5Å; L74-V114 HydrophobicContact CD2-CG1 4.42Å; L74-A117 HydrophobicContact CD1-CB 3.47Å; L74-A117 VanDerWaalsContact CD1-CB 3.47Å; L74-L118 HydrophobicContact CB-CD2 4.3Å; L74-L121 HydrophobicContact CB-CD1 3.81Å
75	R	88.4	Confident	91.2	Very high	101 Å²	101	73 Å²	73	38%	0.381	37%	0.367	S	S	.	.			trans	-128.9	153.8	177.6	-55.3	171.8	57.1	152.8	-6.1	109.3	D77 L78 L92 D93 L118	R75-D77 WeakPolarHBondContact CB-OD1 3.15Å; R75-D77 IonicContact CZ-OD2 3.72Å; R75-D77 IonicContact NE-OD1 3.57Å; R75-D77 PolarHBondContact NE-OD1 3.44Å; R75-D77 IonicContact NE-OD2 2.73Å; R75-D77 IonicContact NH2-OD2 3.86Å; R75-D77 PolarHBondContact NH2-OD2 2.73Å; R75-D77 PolarHBondContact O-N 3.45Å; R75-L78 WeakPolarHBondContact O-CB 3.26Å; R75-L78 PolarHBondContact O-N 3.13Å; R75-L92 VanDerWaalsContact CD-CD1 3.45Å; R75-L92 HydrophobicContact CG-CD1 4Å; R75-D93 IonicContact CZ-OD1 3.63Å; R75-D93 IonicContact CZ-OD2 3.73Å; R75-D93 IonicContact NH1-OD1 2.83Å; R75-D93 PolarHBondContact NH1-OD1 2.88Å; R75-D93 IonicContact NH1-OD2 3.97Å; R75-D93 PolarHBondContact NH1-OD2 3.49Å; R75-L118 WeakPolarHBondContact O-CD2 3.29Å
76	K	86.3	Confident	91.4	Very high	116 Å²	116	70.3 Å²	70.3	50%	0.504	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-27	-178	-61.5	-170.9	175.2	-157.5	0	113.5	L78 L121 A122 S125	K76-L78 VanDerWaalsContact C-N 3.34Å; K76-L121 WeakPolarHBondContact CE-O 3.2Å; K76-L121 PolarHBondContact NZ-O 2.85Å; K76-A122 PolarHBondContact NZ-O 2.99Å; K76-S125 VanDerWaalsContact NZ-CB 3.25Å
77	D	85.9	Confident	91.8	Very high	108 Å²	108	62.5 Å²	62.5	58%	0.578	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	10.5	178.9	51.9	-35	0	0	0	113.6	R75 V79	R75-D77 WeakPolarHBondContact CB-OD1 3.15Å; R75-D77 IonicContact CZ-OD2 3.72Å; R75-D77 IonicContact NE-OD1 3.57Å; R75-D77 PolarHBondContact NE-OD1 3.44Å; R75-D77 IonicContact NE-OD2 2.73Å; R75-D77 IonicContact NH2-OD2 3.86Å; R75-D77 PolarHBondContact NH2-OD2 2.73Å; R75-D77 PolarHBondContact O-N 3.45Å; D77-V79 PolarHBondContact O-N 2.9Å; D77-V79 VanDerWaalsContact O-N 3.17Å
78	L	89.8	Confident	92.1	Very high	19 Å²	19	57.9 Å²	57.9	10%	0.099	30%	0.303	C	S	.	.			trans	-67.4	111.9	179.2	-173	76.3	0	0	0	112.2	L74 R75 K76 Y80 W90 L92 L118	L74-L78 HydrophobicContact CD2-CD2 3.5Å; R75-L78 WeakPolarHBondContact O-CB 3.26Å; R75-L78 PolarHBondContact O-N 3.13Å; K76-L78 VanDerWaalsContact C-N 3.34Å; L78-Y80 PolarHBondContact O-N 2.79Å; L78-Y80 VanDerWaalsContact O-N 3.12Å; L78-W90 HydrophobicContact CD1-CB 4.02Å; L78-W90 HydrophobicContact CD1-CG 4.17Å; L78-W90 HydrophobicContact CD2-CB 4.37Å; L78-W90 HydrophobicContact CD2-CG 4.5Å; L78-W90 HydrophobicContact CG-CB 4.22Å; L78-L92 HydrophobicContact CD1-CB 4.21Å; L78-L92 HydrophobicContact CD1-CD1 4.32Å; L78-L118 HydrophobicContact CB-CD2 4.33Å
79	V	90.8	Very high	92.2	Very high	98 Å²	98	56.6 Å²	56.6	59%	0.594	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	98.1	169.6	-176.7	0	0	0	0	109.3	D77 W90 Q91	D77-V79 PolarHBondContact O-N 2.9Å; D77-V79 VanDerWaalsContact O-N 3.17Å; V79-W90 WeakPolarHBondContact O-CA 3.32Å; V79-W90 WeakPolarHBondContact O-CB 3.44Å; V79-Q91 PolarHBondContact O-N 2.85Å
80	Y	93.7	Very high	92.4	Very high	44 Å²	44	55.3 Å²	55.3	17%	0.173	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	142.9	171.3	-166.6	-98	0	0	0	110.7	L78 K82 H88 W90 F110 D111 V114	L78-Y80 PolarHBondContact O-N 2.79Å; L78-Y80 VanDerWaalsContact O-N 3.12Å; Y80-K82 HydrophobicContact CE1-CG 4.18Å; Y80-H88 HydrophobicContact CE1-CB 4.17Å; Y80-H88 AromaticContact CE1-ND1 3.78Å; Y80-H88 AromaticContact CZ-ND1 3.7Å; Y80-H88 WeakPolarHBondContact OH-CB 3.35Å; Y80-H88 PolarHBondContact OH-ND1 3.31Å; Y80-W90 HydrophobicContact CD2-CB 4.15Å; Y80-W90 HydrophobicContact CD2-CE3 4.02Å; Y80-W90 AromaticContact CE2-CE3 3.73Å; Y80-W90 HydrophobicContact CE2-CE3 3.73Å; Y80-W90 HydrophobicContact CE2-CZ3 4.21Å; Y80-F110 HydrophobicContact CE2-CE1 4.42Å; Y80-D111 HydrophobicContact CE1-CB 4.47Å; Y80-V114 HydrophobicContact CD2-CG1 4Å; Y80-V114 HydrophobicContact CE2-CB 4.46Å; Y80-V114 HydrophobicContact CE2-CG1 4.12Å; Y80-V114 HydrophobicContact CE2-CG2 4.23Å; Y80-V114 HydrophobicContact CG-CG1 4.47Å
81	T	94.1	Very high	92.3	Very high	53 Å²	53	59.7 Å²	59.7	33%	0.325	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	124.9	-174.1	-53.8	0	0	0	0	111	A83 H88 H89	T81-A83 PolarHBondContact O-N 2.98Å; T81-H88 CarbonylContact O-C 3.5Å; T81-H88 WeakPolarHBondContact O-CA 3.39Å; T81-H89 VanDerWaalsContact CB-CE1 3.43Å; T81-H89 WeakPolarHBondContact CB-CE1 3.44Å; T81-H89 PolarHBondContact N-O 3.38Å; T81-H89 PolarHBondContact O-N 2.88Å
82	K	94.8	Very high	91.8	Very high	84 Å²	84	55.9 Å²	55.9	37%	0.365	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	93.7	174.4	-49.9	-173.6	-134.7	-172.5	0	108.6	Y80 D111	Y80-K82 HydrophobicContact CE1-CG 4.18Å; K82-D111 WeakPolarHBondContact CE-OD1 3.42Å; K82-D111 VanDerWaalsContact NZ-CG 3.35Å; K82-D111 IonicContact NZ-OD1 3.32Å; K82-D111 PolarHBondContact NZ-OD1 2.9Å; K82-D111 IonicContact NZ-OD2 3.87Å; K82-D111 PolarHBondContact NZ-OD2 2.89Å
83	A	93.1	Very high	90.7	Very high	52 Å²	52	60.4 Å²	60.4	43%	0.43	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-31.9	-173.6	0	0	0	0	0	112.9	T81 F87	T81-A83 PolarHBondContact O-N 2.98Å; A83-F87 HydrophobicContact CB-CD1 3.8Å; A83-F87 HydrophobicContact CB-CE1 4.15Å; A83-F87 PolarHBondContact N-O 3.48Å
84	T	93.4	Very high	89.7	Confident	63 Å²	63	60.1 Å²	60.1	39%	0.387	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	168.7	164.6	84.4	0	0	0	0	109.4	T86 F87 H88	T84-T86 PolarHBondContact O-N 3.02Å; T84-T86 PolarHBondContact OG1-N 2.83Å; T84-T86 VanDerWaalsContact OG1-N 3.14Å; T84-T86 PolarHBondContact OG1-OG1 3.01Å; T84-F87 HydrophobicContact CG2-CB 4.31Å; T84-F87 PolarHBondContact N-O 2.81Å; T84-F87 PolarHBondContact O-N 2.97Å; T84-F87 WeakPolarHBondContact OG1-CB 3.42Å; T84-F87 PolarHBondContact OG1-N 2.8Å; T84-H88 PolarHBondContact O-CD2 3.09Å
85	P	93.4	Very high	89.3	Confident	87 Å²	87	68.8 Å²	68.8	57%	0.565	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-8.9	174	-24.3	35.5	0	0	0	115.5	S104 A107	P85-S104 VanDerWaalsContact O-CA 3.24Å; P85-S104 WeakPolarHBondContact O-CA 3.39Å; P85-S104 WeakPolarHBondContact O-CB 3.32Å; P85-A107 VanDerWaalsContact O-CB 3.29Å; P85-A107 WeakPolarHBondContact O-CB 3.46Å
86	T	95.8	Very high	89.4	Confident	26 Å²	26	66.1 Å²	66.1	16%	0.16	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.6	2.2	179.7	44.7	0	0	0	0	113	T84 T100 F101	T84-T86 PolarHBondContact O-N 3.02Å; T84-T86 PolarHBondContact OG1-N 2.83Å; T84-T86 VanDerWaalsContact OG1-N 3.14Å; T84-T86 PolarHBondContact OG1-OG1 3.01Å; T86-T100 CarbonylContact O-C 3.57Å; T86-T100 WeakPolarHBondContact O-CA 3.43Å; T86-F101 WeakPolarHBondContact O-CD2 3.38Å; T86-F101 PolarHBondContact O-N 2.93Å
87	F	96.9	Very high	89.7	Confident	26 Å²	26	61.2 Å²	61.2	11%	0.114	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	109.5	178	178.2	-118.4	0	0	0	111.5	M21 W30 A83 T84 H89 L99	M21-F87 HydrophobicContact CB-CE2 4.05Å; M21-F87 HydrophobicContact CG-CD2 4.36Å; M21-F87 HydrophobicContact CG-CE2 3.81Å; W30-F87 AromaticContact CD1-CE1 3.91Å; W30-F87 AromaticContact CD1-CZ 3.97Å; W30-F87 HydrophobicContact CD2-CE1 4.25Å; W30-F87 AromaticContact CD2-CZ 3.6Å; W30-F87 HydrophobicContact CD2-CZ 3.6Å; W30-F87 AromaticContact CE2-CE1 3.96Å; W30-F87 AromaticContact CE2-CZ 3.65Å; W30-F87 HydrophobicContact CE3-CZ 4.03Å; W30-F87 HydrophobicContact CG-CE1 4.24Å; W30-F87 AromaticContact CG-CZ 3.84Å; W30-F87 HydrophobicContact CG-CZ 3.84Å; W30-F87 HydrophobicContact CZ2-CZ 4.14Å; W30-F87 HydrophobicContact CZ3-CZ 4.46Å; W30-F87 AromaticContact NE1-CE1 3.72Å; W30-F87 AromaticContact NE1-CZ 3.85Å; A83-F87 HydrophobicContact CB-CD1 3.8Å; A83-F87 HydrophobicContact CB-CE1 4.15Å; A83-F87 PolarHBondContact N-O 3.48Å; T84-F87 HydrophobicContact CG2-CB 4.31Å; T84-F87 PolarHBondContact N-O 2.81Å; T84-F87 PolarHBondContact O-N 2.97Å; T84-F87 WeakPolarHBondContact OG1-CB 3.42Å; T84-F87 PolarHBondContact OG1-N 2.8Å; F87-H89 AromaticContact CE1-CD2 3.82Å; F87-H89 HydrophobicContact CZ-CB 4.12Å; F87-L99 WeakPolarHBondContact CA-O 3.34Å; F87-L99 WeakPolarHBondContact CD2-O 3.44Å
88	H	97.1	Very high	90.1	Very high	6 Å²	6	56.1 Å²	56.1	3%	0.028	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	149.8	174.6	-55.9	173.7	0	0	0	110	Y80 T81 T84 G98 L99 F101 A107	Y80-H88 HydrophobicContact CE1-CB 4.17Å; Y80-H88 AromaticContact CE1-ND1 3.78Å; Y80-H88 AromaticContact CZ-ND1 3.7Å; Y80-H88 WeakPolarHBondContact OH-CB 3.35Å; Y80-H88 PolarHBondContact OH-ND1 3.31Å; T81-H88 CarbonylContact O-C 3.5Å; T81-H88 WeakPolarHBondContact O-CA 3.39Å; T84-H88 PolarHBondContact O-CD2 3.09Å; H88-G98 CarbonylContact O-C 3.43Å; H88-G98 WeakPolarHBondContact O-CA 3.48Å; H88-L99 PolarHBondContact N-O 3.45Å; H88-L99 PolarHBondContact O-N 3.02Å; H88-F101 HydrophobicContact CB-CE2 3.94Å; H88-F101 AromaticContact CG-CE2 3.76Å; H88-F101 AromaticContact ND1-CE2 3.82Å; H88-A107 PolarHBondContact CE1-O 2.92Å
89	H	95.4	Very high	90.5	Very high	40 Å²	40	55.2 Å²	55.2	19%	0.185	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	162.7	177.7	68.1	68.3	0	0	0	113	W30 T81 F87 C97	W30-H89 HydrophobicContact CH2-CB 3.46Å; W30-H89 VanDerWaalsContact CH2-CB 3.46Å; W30-H89 AromaticContact CH2-CG 3.72Å; W30-H89 HydrophobicContact CZ2-CB 3.71Å; W30-H89 AromaticContact CZ2-CD2 3.48Å; W30-H89 VanDerWaalsContact CZ2-CD2 3.48Å; W30-H89 WeakPolarHBondContact CZ2-CD2 3.47Å; W30-H89 AromaticContact CZ2-CG 3.48Å; W30-H89 VanDerWaalsContact CZ2-CG 3.48Å; W30-H89 HydrophobicContact CZ3-CB 4.23Å; T81-H89 VanDerWaalsContact CB-CE1 3.43Å; T81-H89 WeakPolarHBondContact CB-CE1 3.44Å; T81-H89 PolarHBondContact N-O 3.38Å; T81-H89 PolarHBondContact O-N 2.88Å; F87-H89 AromaticContact CE1-CD2 3.82Å; F87-H89 HydrophobicContact CZ-CB 4.12Å; H89-C97 CarbonylContact C-O 3.58Å; H89-C97 VanDerWaalsContact CA-O 3.29Å; H89-C97 WeakPolarHBondContact CA-O 3.28Å; H89-C97 WeakPolarHBondContact CB-O 3.26Å
90	W	94.9	Very high	90.8	Very high	2 Å²	2	53 Å²	53	1%	0.008	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	164.1	176.7	59.7	90	0	0	0	111.7	I58 L70 L78 V79 Y80 K96 C97 L99 F110	I58-W90 HydrophobicContact CB-CZ2 4.39Å; I58-W90 HydrophobicContact CD1-CD2 4.2Å; I58-W90 HydrophobicContact CD1-CE3 4.41Å; I58-W90 HydrophobicContact CD1-CH2 3.82Å; I58-W90 HydrophobicContact CD1-CZ2 3.57Å; I58-W90 HydrophobicContact CD1-CZ3 4.24Å; I58-W90 HydrophobicContact CG2-CH2 4.04Å; I58-W90 HydrophobicContact CG2-CZ2 3.91Å; L70-W90 HydrophobicContact CD1-CZ2 4.24Å; L70-W90 HydrophobicContact CD2-CH2 4.09Å; L70-W90 HydrophobicContact CD2-CZ2 4.04Å; L78-W90 HydrophobicContact CD1-CB 4.02Å; L78-W90 HydrophobicContact CD1-CG 4.17Å; L78-W90 HydrophobicContact CD2-CB 4.37Å; L78-W90 HydrophobicContact CD2-CG 4.5Å; L78-W90 HydrophobicContact CG-CB 4.22Å; V79-W90 WeakPolarHBondContact O-CA 3.32Å; V79-W90 WeakPolarHBondContact O-CB 3.44Å; Y80-W90 HydrophobicContact CD2-CB 4.15Å; Y80-W90 HydrophobicContact CD2-CE3 4.02Å; Y80-W90 AromaticContact CE2-CE3 3.73Å; Y80-W90 HydrophobicContact CE2-CE3 3.73Å; Y80-W90 HydrophobicContact CE2-CZ3 4.21Å; W90-K96 WeakPolarHBondContact O-CA 3.33Å; W90-C97 HydrophobicContact CD2-CB 4.47Å; W90-C97 HydrophobicContact CZ2-CB 3.94Å; W90-C97 PolarHBondContact N-O 3.38Å; W90-C97 PolarHBondContact O-N 2.82Å; W90-C97 VanDerWaalsContact O-O 3.13Å; W90-L99 HydrophobicContact CH2-CD1 3.82Å; W90-L99 HydrophobicContact CH2-CD2 4.45Å; W90-L99 HydrophobicContact CH2-CG 3.75Å; W90-L99 HydrophobicContact CZ3-CD1 3.97Å; W90-L99 HydrophobicContact CZ3-CG 3.91Å; W90-F110 HydrophobicContact CH2-CE1 4.43Å; W90-F110 HydrophobicContact CZ3-CE1 4.17Å
91	Q	88.6	Confident	90.9	Very high	98 Å²	98	51.2 Å²	51.2	46%	0.458	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.9	174.3	-175	169.6	-34.1	0	0	110.5	V79 R95 K96	V79-Q91 PolarHBondContact O-N 2.85Å; Q91-R95 WeakPolarHBondContact CA-O 3.3Å; Q91-K96 HydrophobicContact CB-CG 4.07Å; Q91-K96 HydrophobicContact CG-CG 3.85Å
92	L	81.6	Confident	91	Very high	27 Å²	27	54.1 Å²	54.1	14%	0.141	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	123	-178	179.7	68	0	0	0	109	C72 F73 R75 L78 S94 R95	C72-L92 HydrophobicContact CB-CD2 3.86Å; F73-L92 WeakPolarHBondContact O-CD2 3.09Å; R75-L92 VanDerWaalsContact CD-CD1 3.45Å; R75-L92 HydrophobicContact CG-CD1 4Å; L78-L92 HydrophobicContact CD1-CB 4.21Å; L78-L92 HydrophobicContact CD1-CD1 4.32Å; L92-S94 VanDerWaalsContact C-N 3.34Å; L92-S94 PolarHBondContact O-N 2.87Å; L92-S94 VanDerWaalsContact O-N 3.16Å; L92-R95 PolarHBondContact N-O 2.83Å; L92-R95 PolarHBondContact O-N 2.87Å
93	D	68.4	Low	90.7	Very high	106 Å²	106	52.2 Å²	52.2	57%	0.567	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.5	56.5	172.4	-64.7	-58.3	0	0	0	113.7	R75 R95	R75-D93 IonicContact CZ-OD1 3.63Å; R75-D93 IonicContact CZ-OD2 3.73Å; R75-D93 IonicContact NH1-OD1 2.83Å; R75-D93 PolarHBondContact NH1-OD1 2.88Å; R75-D93 IonicContact NH1-OD2 3.97Å; R75-D93 PolarHBondContact NH1-OD2 3.49Å; D93-R95 VanDerWaalsContact C-N 3.33Å; D93-R95 PolarHBondContact O-N 3.14Å
94	S	71.6	Confident	90.7	Very high	96 Å²	96	50.8 Å²	50.8	67%	0.671	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	-17.7	-173.8	76.7	0	0	0	0	118.4	L92	L92-S94 VanDerWaalsContact C-N 3.34Å; L92-S94 PolarHBondContact O-N 2.87Å; L92-S94 VanDerWaalsContact O-N 3.16Å
95	R	81.4	Confident	90.6	Very high	193 Å²	193	50.8 Å²	50.8	73%	0.728	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	142.1	179.8	-62.7	-173.9	-179.8	-139.4	-1.5	111.9	Q91 L92 D93	Q91-R95 WeakPolarHBondContact CA-O 3.3Å; L92-R95 PolarHBondContact N-O 2.83Å; L92-R95 PolarHBondContact O-N 2.87Å; D93-R95 VanDerWaalsContact C-N 3.33Å; D93-R95 PolarHBondContact O-N 3.14Å
96	K	90.3	Very high	90.7	Very high	44 Å²	44	48.7 Å²	48.7	19%	0.191	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	116.9	175.4	-66.7	166.7	-160	141.5	0	109.5	R23 E25 W30 W90 Q91	R23-K96 HydrophobicContact CB-CB 3.7Å; R23-K96 HydrophobicContact CB-CD 4.22Å; R23-K96 VanDerWaalsContact CD-CD 3.5Å; R23-K96 HydrophobicContact CG-CD 4.48Å; R23-K96 PolarHBondContact N-O 2.87Å; R23-K96 VanDerWaalsContact N-O 3.09Å; E25-K96 WeakPolarHBondContact OE1-CD 3.45Å; E25-K96 IonicContact OE1-NZ 3.71Å; E25-K96 PolarHBondContact OE1-NZ 2.65Å; E25-K96 IonicContact OE2-NZ 3.37Å; E25-K96 PolarHBondContact OE2-NZ 3.17Å; W30-K96 HydrophobicContact CH2-CB 4Å; W30-K96 HydrophobicContact CZ3-CB 4.33Å; W90-K96 WeakPolarHBondContact O-CA 3.33Å; Q91-K96 HydrophobicContact CB-CG 4.07Å; Q91-K96 HydrophobicContact CG-CG 3.85Å
97	C	92.7	Very high	90.6	Very high	14 Å²	14	47.5 Å²	47.5	10%	0.095	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	151.2	-178.3	-65.2	0	0	0	0	109.3	L70 H89 W90	L70-C97 HydrophobicContact CD1-CB 4.1Å; H89-C97 CarbonylContact C-O 3.58Å; H89-C97 VanDerWaalsContact CA-O 3.29Å; H89-C97 WeakPolarHBondContact CA-O 3.28Å; H89-C97 WeakPolarHBondContact CB-O 3.26Å; W90-C97 HydrophobicContact CD2-CB 4.47Å; W90-C97 HydrophobicContact CZ2-CB 3.94Å; W90-C97 PolarHBondContact N-O 3.38Å; W90-C97 PolarHBondContact O-N 2.82Å; W90-C97 VanDerWaalsContact O-O 3.13Å
98	G	95.5	Very high	90.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	173.5	175.4	0	0	0	0	0	112.7	M21 H88	M21-G98 PolarHBondContact N-O 3.19Å; M21-G98 PolarHBondContact O-N 3.42Å; H88-G98 CarbonylContact O-C 3.43Å; H88-G98 WeakPolarHBondContact O-CA 3.48Å
99	L	97.1	Very high	90.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	124.9	-179.5	-65.2	176	0	0	0	109.3	A18 V19 V20 V40 L70 F87 H88 W90 F101 F110	A18-L99 HydrophobicContact CB-CB 4.21Å; A18-L99 HydrophobicContact CB-CD2 4.24Å; V19-L99 WeakPolarHBondContact O-CA 3.29Å; V20-L99 HydrophobicContact CG2-CD2 4.01Å; V40-L99 HydrophobicContact CB-CD2 4.42Å; V40-L99 HydrophobicContact CG1-CD1 3.89Å; V40-L99 HydrophobicContact CG1-CD2 4.06Å; V40-L99 HydrophobicContact CG2-CD2 4.01Å; L70-L99 HydrophobicContact CD2-CD2 3.95Å; F87-L99 WeakPolarHBondContact CA-O 3.34Å; F87-L99 WeakPolarHBondContact CD2-O 3.44Å; H88-L99 PolarHBondContact N-O 3.45Å; H88-L99 PolarHBondContact O-N 3.02Å; W90-L99 HydrophobicContact CH2-CD1 3.82Å; W90-L99 HydrophobicContact CH2-CD2 4.45Å; W90-L99 HydrophobicContact CH2-CG 3.75Å; W90-L99 HydrophobicContact CZ3-CD1 3.97Å; W90-L99 HydrophobicContact CZ3-CG 3.91Å; L99-F101 HydrophobicContact CB-CD2 4.43Å; L99-F101 HydrophobicContact CB-CE1 3.95Å; L99-F101 HydrophobicContact CB-CE2 3.84Å; L99-F101 HydrophobicContact CB-CZ 3.56Å; L99-F101 HydrophobicContact CD1-CE1 3.85Å; L99-F101 HydrophobicContact CD1-CZ 3.74Å; L99-F101 HydrophobicContact CG-CZ 4.31Å; L99-F101 WeakPolarHBondContact O-CE2 3.37Å; L99-F110 HydrophobicContact CD1-CD1 3.91Å; L99-F110 HydrophobicContact CD1-CD2 4.4Å; L99-F110 HydrophobicContact CD1-CE1 3.47Å; L99-F110 VanDerWaalsContact CD1-CE1 3.47Å; L99-F110 HydrophobicContact CD1-CE2 4.03Å; L99-F110 HydrophobicContact CD1-CG 4.35Å; L99-F110 HydrophobicContact CD1-CZ 3.54Å
100	T	96.9	Very high	90.3	Very high	51 Å²	51	49.6 Å²	49.6	31%	0.313	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	107.3	166.5	-54.2	0	0	0	0	107.8	A18 V19 M21 T86	A18-T100 WeakPolarHBondContact CA-O 3.48Å; A18-T100 WeakPolarHBondContact CB-O 3.16Å; V19-T100 PolarHBondContact N-O 2.9Å; V19-T100 PolarHBondContact O-N 3.27Å; M21-T100 VanDerWaalsContact CG-OG1 3.29Å; M21-T100 WeakPolarHBondContact CG-OG1 3.22Å; M21-T100 PolarHBondContact SD-OG1 3.43Å; T86-T100 CarbonylContact O-C 3.57Å; T86-T100 WeakPolarHBondContact O-CA 3.43Å
101	F	96.9	Very high	90.3	Very high	7 Å²	7	50 Å²	50	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	150	-178.4	-55	-85.8	0	0	0	110.8	V16 A18 T86 H88 L99 C103 D106 A107 F110	V16-F101 HydrophobicContact CG2-CD1 4.2Å; V16-F101 HydrophobicContact CG2-CE1 4Å; A18-F101 HydrophobicContact CB-CD1 3.87Å; A18-F101 HydrophobicContact CB-CE1 4.29Å; A18-F101 HydrophobicContact CB-CG 4.46Å; T86-F101 WeakPolarHBondContact O-CD2 3.38Å; T86-F101 PolarHBondContact O-N 2.93Å; H88-F101 HydrophobicContact CB-CE2 3.94Å; H88-F101 AromaticContact CG-CE2 3.76Å; H88-F101 AromaticContact ND1-CE2 3.82Å; L99-F101 HydrophobicContact CB-CD2 4.43Å; L99-F101 HydrophobicContact CB-CE1 3.95Å; L99-F101 HydrophobicContact CB-CE2 3.84Å; L99-F101 HydrophobicContact CB-CZ 3.56Å; L99-F101 HydrophobicContact CD1-CE1 3.85Å; L99-F101 HydrophobicContact CD1-CZ 3.74Å; L99-F101 HydrophobicContact CG-CZ 4.31Å; L99-F101 WeakPolarHBondContact O-CE2 3.37Å; F101-C103 PolarHBondContact O-N 3.42Å; F101-D106 HydrophobicContact CB-CB 4.3Å; F101-D106 HydrophobicContact CD1-CB 4.25Å; F101-A107 HydrophobicContact CB-CB 4.07Å; F101-A107 HydrophobicContact CD1-CB 4.43Å; F101-A107 HydrophobicContact CD2-CB 3.38Å; F101-A107 HydrophobicContact CE2-CB 3.85Å; F101-A107 HydrophobicContact CG-CB 3.71Å; F101-F110 HydrophobicContact CE1-CB 3.68Å; F101-F110 HydrophobicContact CE1-CD1 4.08Å; F101-F110 AromaticContact CE1-CG 3.86Å; F101-F110 HydrophobicContact CE1-CG 3.86Å; F101-F110 HydrophobicContact CZ-CB 3.96Å; F101-F110 AromaticContact CZ-CD1 3.74Å; F101-F110 HydrophobicContact CZ-CD1 3.74Å; F101-F110 AromaticContact CZ-CG 4Å; F101-F110 HydrophobicContact CZ-CG 4Å
102	Q	94.4	Very high	90.5	Very high	115 Å²	115	50.4 Å²	50.4	54%	0.537	26%	0.258	S	S	.	.	S	Bend	trans	-70.3	-20.9	177.7	-66.3	174.8	101.9	0	0	113.2	T17 L37	T17-Q102 PolarHBondContact O-NE2 2.93Å; T17-Q102 VanDerWaalsContact O-NE2 3.1Å; L37-Q102 HydrophobicContact CD2-CG 3.85Å
103	C	90.3	Very high	91.1	Very high	43 Å²	43	49.4 Å²	49.4	29%	0.291	25%	0.254	S	S	.	.	S	Bend	trans	-156.9	159.9	179.1	64.2	0	0	0	0	110.8	F101 S105 D106 A107	F101-C103 PolarHBondContact O-N 3.42Å; C103-S105 VanDerWaalsContact C-N 3.28Å; C103-S105 PolarHBondContact O-N 3.44Å; C103-S105 PolarHBondContact SG-OG 3.32Å; C103-D106 PolarHBondContact O-N 3.11Å; C103-D106 PolarHBondContact SG-OD1 2.84Å; C103-A107 PolarHBondContact O-N 3.13Å
104	S	92.6	Very high	92.3	Very high	22 Å²	22	44.4 Å²	44.4	15%	0.154	23%	0.228	C	C	.	.	H	α-helix	trans	-73.3	-17.1	-178.2	66.4	0	0	0	0	114.1	P85 R108	P85-S104 VanDerWaalsContact O-CA 3.24Å; P85-S104 WeakPolarHBondContact O-CA 3.39Å; P85-S104 WeakPolarHBondContact O-CB 3.32Å; S104-R108 VanDerWaalsContact CB-NH1 3.28Å; S104-R108 WeakPolarHBondContact O-CB 3.42Å; S104-R108 WeakPolarHBondContact O-CG 3.28Å; S104-R108 VanDerWaalsContact O-CZ 3.28Å; S104-R108 PolarHBondContact O-N 3.12Å; S104-R108 PolarHBondContact O-NH1 2.95Å; S104-R108 PolarHBondContact OG-NH1 3.11Å
105	S	91.8	Very high	93.3	Very high	64 Å²	64	44.2 Å²	44.2	45%	0.448	21%	0.212	S	C	.	.	H	α-helix	trans	-69.1	-40.1	171.3	40	0	0	0	0	112.5	C103 R108 A109	C103-S105 VanDerWaalsContact C-N 3.28Å; C103-S105 PolarHBondContact O-N 3.44Å; C103-S105 PolarHBondContact SG-OG 3.32Å; S105-R108 PolarHBondContact O-N 2.82Å; S105-A109 WeakPolarHBondContact O-CB 3.21Å; S105-A109 PolarHBondContact O-N 3.38Å
106	D	94.4	Very high	93.7	Very high	43 Å²	43	40.5 Å²	40.5	23%	0.23	20%	0.198	C	C	.	.	H	α-helix	trans	-65.9	-42.6	174.2	-76.1	13.9	0	0	0	110.5	V16 F101 C103 R108 A109 F110	V16-D106 HydrophobicContact CB-CB 4.22Å; V16-D106 HydrophobicContact CG1-CB 4.15Å; F101-D106 HydrophobicContact CB-CB 4.3Å; F101-D106 HydrophobicContact CD1-CB 4.25Å; C103-D106 PolarHBondContact O-N 3.11Å; C103-D106 PolarHBondContact SG-OD1 2.84Å; D106-R108 PolarHBondContact O-N 2.85Å; D106-A109 PolarHBondContact O-N 2.79Å; D106-F110 WeakPolarHBondContact O-CB 3.43Å; D106-F110 PolarHBondContact O-N 2.87Å
107	A	94.1	Very high	93.8	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-58.2	-48.1	175.1	0	0	0	0	0	112	P85 H88 F101 C103 F110 D111	P85-A107 VanDerWaalsContact O-CB 3.29Å; P85-A107 WeakPolarHBondContact O-CB 3.46Å; H88-A107 PolarHBondContact CE1-O 2.92Å; F101-A107 HydrophobicContact CB-CB 4.07Å; F101-A107 HydrophobicContact CD1-CB 4.43Å; F101-A107 HydrophobicContact CD2-CB 3.38Å; F101-A107 HydrophobicContact CE2-CB 3.85Å; F101-A107 HydrophobicContact CG-CB 3.71Å; C103-A107 PolarHBondContact O-N 3.13Å; A107-F110 PolarHBondContact O-N 3.1Å; A107-D111 VanDerWaalsContact O-CB 3.28Å; A107-D111 WeakPolarHBondContact O-CB 3.35Å; A107-D111 PolarHBondContact O-N 3.43Å
108	R	92.1	Very high	93.7	Very high	87 Å²	87	39.6 Å²	39.6	33%	0.328	20%	0.195	S	C	.	.	H	α-helix	trans	-64.8	-36.4	175	-75.3	-174	-60.6	-82.3	-0.4	113.1	S104 S105 D106 R112 D368	S104-R108 VanDerWaalsContact CB-NH1 3.28Å; S104-R108 WeakPolarHBondContact O-CB 3.42Å; S104-R108 WeakPolarHBondContact O-CG 3.28Å; S104-R108 VanDerWaalsContact O-CZ 3.28Å; S104-R108 PolarHBondContact O-N 3.12Å; S104-R108 PolarHBondContact O-NH1 2.95Å; S104-R108 PolarHBondContact OG-NH1 3.11Å; S105-R108 PolarHBondContact O-N 2.82Å; D106-R108 PolarHBondContact O-N 2.85Å; R108-R112 WeakPolarHBondContact O-CG 3.19Å; R108-R112 PolarHBondContact O-N 2.74Å; R108-R112 VanDerWaalsContact O-N 3.16Å; R108-R112 PolarHBondContact O-NH1 3.17Å; R108-D368 WeakPolarHBondContact CD-OD2 3.35Å
109	A	93.9	Very high	93.4	Very high	28 Å²	28	43.1 Å²	43.1	23%	0.231	21%	0.211	C	C	.	.	H	α-helix	trans	-65.8	-47.8	176.6	0	0	0	0	0	111.1	V14 V16 S105 D106 R112 G113	V14-A109 HydrophobicContact CG2-CB 4.3Å; V16-A109 HydrophobicContact CG1-CB 4.43Å; S105-A109 WeakPolarHBondContact O-CB 3.21Å; S105-A109 PolarHBondContact O-N 3.38Å; D106-A109 PolarHBondContact O-N 2.79Å; A109-R112 PolarHBondContact O-N 3.24Å; A109-G113 PolarHBondContact O-N 3.35Å; A109-G113 VanDerWaalsContact O-N 3.11Å
110	F	96.4	Very high	92.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.2	-41.9	177.9	-170.5	-94.4	0	0	0	112.2	V14 V16 V40 V42 I58 Y80 W90 L99 F101 D106 A107 R112 G113 V114	V14-F110 HydrophobicContact CG1-CD2 4.14Å; V16-F110 HydrophobicContact CG1-CB 4.41Å; V16-F110 HydrophobicContact CG2-CB 4.18Å; V16-F110 HydrophobicContact CG2-CD2 3.84Å; V16-F110 HydrophobicContact CG2-CG 4.31Å; V40-F110 HydrophobicContact CG1-CE2 4.01Å; V40-F110 HydrophobicContact CG1-CZ 4.33Å; V42-F110 HydrophobicContact CG2-CD2 4.45Å; V42-F110 HydrophobicContact CG2-CE2 3.89Å; V42-F110 HydrophobicContact CG2-CZ 4.13Å; I58-F110 HydrophobicContact CD1-CE1 4.33Å; I58-F110 HydrophobicContact CD1-CZ 4.01Å; I58-F110 HydrophobicContact CG1-CZ 4.06Å; I58-F110 HydrophobicContact CG2-CZ 3.88Å; Y80-F110 HydrophobicContact CE2-CE1 4.42Å; W90-F110 HydrophobicContact CH2-CE1 4.43Å; W90-F110 HydrophobicContact CZ3-CE1 4.17Å; L99-F110 HydrophobicContact CD1-CD1 3.91Å; L99-F110 HydrophobicContact CD1-CD2 4.4Å; L99-F110 HydrophobicContact CD1-CE1 3.47Å; L99-F110 VanDerWaalsContact CD1-CE1 3.47Å; L99-F110 HydrophobicContact CD1-CE2 4.03Å; L99-F110 HydrophobicContact CD1-CG 4.35Å; L99-F110 HydrophobicContact CD1-CZ 3.54Å; F101-F110 HydrophobicContact CE1-CB 3.68Å; F101-F110 HydrophobicContact CE1-CD1 4.08Å; F101-F110 AromaticContact CE1-CG 3.86Å; F101-F110 HydrophobicContact CE1-CG 3.86Å; F101-F110 HydrophobicContact CZ-CB 3.96Å; F101-F110 AromaticContact CZ-CD1 3.74Å; F101-F110 HydrophobicContact CZ-CD1 3.74Å; F101-F110 AromaticContact CZ-CG 4Å; F101-F110 HydrophobicContact CZ-CG 4Å; D106-F110 WeakPolarHBondContact O-CB 3.43Å; D106-F110 PolarHBondContact O-N 2.87Å; A107-F110 PolarHBondContact O-N 3.1Å; F110-R112 PolarHBondContact O-N 2.96Å; F110-G113 PolarHBondContact O-N 3.16Å; F110-G113 VanDerWaalsContact O-N 3.17Å; F110-V114 HydrophobicContact CD1-CG2 3.84Å; F110-V114 HydrophobicContact CE1-CG2 3.43Å; F110-V114 VanDerWaalsContact CE1-CG2 3.43Å; F110-V114 HydrophobicContact CZ-CG2 3.85Å; F110-V114 WeakPolarHBondContact O-CG2 3.12Å; F110-V114 PolarHBondContact O-N 3.46Å
111	D	95.1	Very high	92.5	Very high	10 Å²	10	43.7 Å²	43.7	5%	0.053	21%	0.212	C	C	.	.	H	α-helix	trans	-56.5	-44.7	173.6	173.2	67.7	0	0	0	112.9	Y80 K82 A107 V114 R115	Y80-D111 HydrophobicContact CE1-CB 4.47Å; K82-D111 WeakPolarHBondContact CE-OD1 3.42Å; K82-D111 VanDerWaalsContact NZ-CG 3.35Å; K82-D111 IonicContact NZ-OD1 3.32Å; K82-D111 PolarHBondContact NZ-OD1 2.9Å; K82-D111 IonicContact NZ-OD2 3.87Å; K82-D111 PolarHBondContact NZ-OD2 2.89Å; A107-D111 VanDerWaalsContact O-CB 3.28Å; A107-D111 WeakPolarHBondContact O-CB 3.35Å; A107-D111 PolarHBondContact O-N 3.43Å; D111-V114 PolarHBondContact O-N 3.04Å; D111-R115 WeakPolarHBondContact O-CB 3.43Å; D111-R115 PolarHBondContact O-N 2.99Å; D111-R115 IonicContact OD1-NH2 3.2Å; D111-R115 PolarHBondContact OD1-NH2 2.91Å; D111-R115 VanDerWaalsContact OD1-NH2 3.13Å; D111-R115 IonicContact OD2-CZ 2.75Å; D111-R115 IonicContact OD2-NH1 2.83Å; D111-R115 IonicContact OD2-NH2 3.96Å; D111-R115 PolarHBondContact OD2-NH2 3.46Å
112	R	92.9	Very high	91.8	Very high	107 Å²	107	45.5 Å²	45.5	40%	0.404	23%	0.228	S	C	.	.	H	α-helix	trans	-63.8	-40.9	174.1	-69.6	-160.9	-49.8	-61.5	6.4	112.3	R108 A109 F110 R115 R116 D376	R108-R112 WeakPolarHBondContact O-CG 3.19Å; R108-R112 PolarHBondContact O-N 2.74Å; R108-R112 VanDerWaalsContact O-N 3.16Å; R108-R112 PolarHBondContact O-NH1 3.17Å; A109-R112 PolarHBondContact O-N 3.24Å; F110-R112 PolarHBondContact O-N 2.96Å; R112-R115 PolarHBondContact O-N 3.11Å; R112-R116 WeakPolarHBondContact O-CB 3.02Å; R112-R116 PolarHBondContact O-N 2.95Å; R112-D376 IonicContact CZ-OD2 3.05Å; R112-D376 IonicContact NE-OD2 3.14Å; R112-D376 PolarHBondContact NE-OD2 3.06Å; R112-D376 VanDerWaalsContact NE-OD2 3.12Å; R112-D376 IonicContact NH2-OD2 2.7Å
113	G	93.6	Very high	90.9	Very high	6 Å²	6	46.3 Å²	46.3	6%	0.062	23%	0.232	C	C	.	.	H	α-helix	trans	-67.9	-36.7	178.3	0	0	0	0	0	114	A109 F110 A117	A109-G113 PolarHBondContact O-N 3.35Å; A109-G113 VanDerWaalsContact O-N 3.11Å; F110-G113 PolarHBondContact O-N 3.16Å; F110-G113 VanDerWaalsContact O-N 3.17Å; G113-A117 WeakPolarHBondContact O-CB 3.37Å; G113-A117 PolarHBondContact O-N 3.06Å; G113-A117 VanDerWaalsContact O-N 3.16Å
114	V	94.4	Very high	89.6	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.012	23%	0.23	C	C	.	.	H	α-helix	trans	-67.2	-46.6	173	171.7	0	0	0	0	110.6	V42 I58 L74 Y80 F110 D111 R116 A117 L118	V42-V114 HydrophobicContact CG2-CG2 3.69Å; I58-V114 HydrophobicContact CD1-CG2 4.18Å; L74-V114 HydrophobicContact CD2-CG1 4.42Å; Y80-V114 HydrophobicContact CD2-CG1 4Å; Y80-V114 HydrophobicContact CE2-CB 4.46Å; Y80-V114 HydrophobicContact CE2-CG1 4.12Å; Y80-V114 HydrophobicContact CE2-CG2 4.23Å; Y80-V114 HydrophobicContact CG-CG1 4.47Å; F110-V114 HydrophobicContact CD1-CG2 3.84Å; F110-V114 HydrophobicContact CE1-CG2 3.43Å; F110-V114 VanDerWaalsContact CE1-CG2 3.43Å; F110-V114 HydrophobicContact CZ-CG2 3.85Å; F110-V114 WeakPolarHBondContact O-CG2 3.12Å; F110-V114 PolarHBondContact O-N 3.46Å; D111-V114 PolarHBondContact O-N 3.04Å; V114-R116 PolarHBondContact O-N 3.08Å; V114-A117 PolarHBondContact O-N 3.45Å; V114-L118 HydrophobicContact CG1-CD1 4.04Å; V114-L118 WeakPolarHBondContact O-CG 3.42Å; V114-L118 PolarHBondContact O-N 3.34Å; V114-L118 VanDerWaalsContact O-N 3.07Å
115	R	92.1	Very high	87.6	Confident	91 Å²	91	46.6 Å²	46.6	34%	0.343	24%	0.239	S	C	.	.	H	α-helix	trans	-56.3	-51.3	177.2	-177.1	-178.5	-54.9	108.1	25	111.4	D111 R112 A117 L118 E119	D111-R115 WeakPolarHBondContact O-CB 3.43Å; D111-R115 PolarHBondContact O-N 2.99Å; D111-R115 IonicContact OD1-NH2 3.2Å; D111-R115 PolarHBondContact OD1-NH2 2.91Å; D111-R115 VanDerWaalsContact OD1-NH2 3.13Å; D111-R115 IonicContact OD2-CZ 2.75Å; D111-R115 IonicContact OD2-NH1 2.83Å; D111-R115 IonicContact OD2-NH2 3.96Å; D111-R115 PolarHBondContact OD2-NH2 3.46Å; R112-R115 PolarHBondContact O-N 3.11Å; R115-A117 VanDerWaalsContact C-N 3.3Å; R115-A117 PolarHBondContact O-N 2.82Å; R115-L118 CarbonylContact O-C 3.6Å; R115-L118 WeakPolarHBondContact O-CA 3.48Å; R115-L118 WeakPolarHBondContact O-CB 3.43Å; R115-L118 PolarHBondContact O-N 2.91Å; R115-E119 WeakPolarHBondContact CD-OE1 3.43Å; R115-E119 HydrophobicContact CG-CG 4.48Å; R115-E119 WeakPolarHBondContact CG-OE1 3.28Å; R115-E119 PolarHBondContact O-N 2.96Å
116	R	90.6	Very high	85.4	Confident	115 Å²	115	49.2 Å²	49.2	43%	0.434	25%	0.252	S	S	.	.	H	α-helix	trans	-58.6	-39.1	179.2	-169.8	172.6	-172	150.1	8.1	113.3	R112 V114 L118 E119 D120 S378	R112-R116 WeakPolarHBondContact O-CB 3.02Å; R112-R116 PolarHBondContact O-N 2.95Å; V114-R116 PolarHBondContact O-N 3.08Å; R116-L118 VanDerWaalsContact C-N 3.33Å; R116-E119 VanDerWaalsContact CA-OE2 3.31Å; R116-E119 WeakPolarHBondContact CA-OE2 3.47Å; R116-E119 PolarHBondContact O-N 2.93Å; R116-D120 PolarHBondContact O-N 3.47Å; R116-S378 PolarHBondContact NH1-OG 3.02Å
117	A	91.9	Very high	82.9	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-68.1	-31.8	175.3	0	0	0	0	0	112.9	I13 V42 F56 L74 G113 V114 R115 L121	I13-A117 HydrophobicContact CD1-CB 4.19Å; V42-A117 HydrophobicContact CG1-CB 3.74Å; F56-A117 HydrophobicContact CB-CB 4.04Å; F56-A117 HydrophobicContact CD1-CB 3.59Å; F56-A117 HydrophobicContact CD2-CB 4.47Å; F56-A117 HydrophobicContact CE1-CB 4.09Å; F56-A117 HydrophobicContact CG-CB 3.8Å; L74-A117 HydrophobicContact CD1-CB 3.47Å; L74-A117 VanDerWaalsContact CD1-CB 3.47Å; G113-A117 WeakPolarHBondContact O-CB 3.37Å; G113-A117 PolarHBondContact O-N 3.06Å; G113-A117 VanDerWaalsContact O-N 3.16Å; V114-A117 PolarHBondContact O-N 3.45Å; R115-A117 VanDerWaalsContact C-N 3.3Å; R115-A117 PolarHBondContact O-N 2.82Å; A117-L121 WeakPolarHBondContact O-CB 3.33Å; A117-L121 WeakPolarHBondContact O-CD1 3.44Å; A117-L121 WeakPolarHBondContact O-CG 3.48Å; A117-L121 PolarHBondContact O-N 2.91Å; A117-L121 VanDerWaalsContact O-N 3.08Å
118	L	90.6	Very high	80.4	Confident	40 Å²	40	55.7 Å²	55.7	21%	0.209	30%	0.296	C	S	.	.	H	α-helix	trans	-73.6	-32.4	173.4	-65.7	170.3	0	0	0	112.3	L74 R75 L78 V114 R115 R116 L121 A122	L74-L118 HydrophobicContact CB-CD2 4.3Å; R75-L118 WeakPolarHBondContact O-CD2 3.29Å; L78-L118 HydrophobicContact CB-CD2 4.33Å; V114-L118 HydrophobicContact CG1-CD1 4.04Å; V114-L118 WeakPolarHBondContact O-CG 3.42Å; V114-L118 PolarHBondContact O-N 3.34Å; V114-L118 VanDerWaalsContact O-N 3.07Å; R115-L118 CarbonylContact O-C 3.6Å; R115-L118 WeakPolarHBondContact O-CA 3.48Å; R115-L118 WeakPolarHBondContact O-CB 3.43Å; R115-L118 PolarHBondContact O-N 2.91Å; R116-L118 VanDerWaalsContact C-N 3.33Å; L118-L121 HydrophobicContact CD2-CD1 4.29Å; L118-A122 WeakPolarHBondContact O-CB 3.14Å; L118-A122 PolarHBondContact O-N 3.15Å
119	E	89.5	Confident	77.9	Confident	74 Å²	74	57.6 Å²	57.6	35%	0.346	32%	0.322	S	S	.	.	H	α-helix	trans	-68.8	-52	172.8	-71.5	155.7	171.4	0	0	111.2	R115 R116 L121 A122 E123	R115-E119 WeakPolarHBondContact CD-OE1 3.43Å; R115-E119 HydrophobicContact CG-CG 4.48Å; R115-E119 WeakPolarHBondContact CG-OE1 3.28Å; R115-E119 PolarHBondContact O-N 2.96Å; R116-E119 VanDerWaalsContact CA-OE2 3.31Å; R116-E119 WeakPolarHBondContact CA-OE2 3.47Å; R116-E119 PolarHBondContact O-N 2.93Å; E119-L121 PolarHBondContact O-N 2.94Å; E119-A122 WeakPolarHBondContact O-CA 3.43Å; E119-A122 VanDerWaalsContact O-CB 3.29Å; E119-A122 WeakPolarHBondContact O-CB 3.35Å; E119-A122 PolarHBondContact O-N 3.3Å; E119-E123 PolarHBondContact O-N 3.44Å
120	D	87.2	Confident	75.3	Confident	35 Å²	35	61.5 Å²	61.5	19%	0.187	35%	0.348	C	S	.	.	H	α-helix	trans	-53.9	-38.3	171.9	-86.6	37.3	0	0	0	111.6	R44 F56 R116 G124	R44-D120 IonicContact CZ-OD2 2.69Å; R44-D120 IonicContact NH1-OD2 3.68Å; R44-D120 PolarHBondContact NH1-OD2 2.9Å; F56-D120 HydrophobicContact CE1-CB 4.3Å; F56-D120 HydrophobicContact CE2-CB 3.73Å; F56-D120 HydrophobicContact CZ-CB 3.35Å; F56-D120 WeakPolarHBondContact CZ-OD2 3.34Å; R116-D120 PolarHBondContact O-N 3.47Å; D120-G124 PolarHBondContact O-N 2.85Å
121	L	87.4	Confident	72.4	Confident	27 Å²	27	67.9 Å²	67.9	14%	0.141	39%	0.387	C	S	.	.	H	α-helix	trans	-67.1	-39.4	173.5	-82.4	166.7	0	0	0	112.5	N54 F56 L74 K76 A117 L118 E119	N54-L121 WeakPolarHBondContact O-CD2 3.23Å; F56-L121 HydrophobicContact CD2-CD1 3.97Å; F56-L121 HydrophobicContact CD2-CD2 3.86Å; F56-L121 HydrophobicContact CD2-CG 3.52Å; F56-L121 HydrophobicContact CE2-CD2 4.27Å; F56-L121 HydrophobicContact CE2-CG 3.88Å; L74-L121 HydrophobicContact CB-CD1 3.81Å; K76-L121 WeakPolarHBondContact CE-O 3.2Å; K76-L121 PolarHBondContact NZ-O 2.85Å; A117-L121 WeakPolarHBondContact O-CB 3.33Å; A117-L121 WeakPolarHBondContact O-CD1 3.44Å; A117-L121 WeakPolarHBondContact O-CG 3.48Å; A117-L121 PolarHBondContact O-N 2.91Å; A117-L121 VanDerWaalsContact O-N 3.08Å; L118-L121 HydrophobicContact CD2-CD1 4.29Å; E119-L121 PolarHBondContact O-N 2.94Å
122	A	83.6	Confident	69.8	Low	45 Å²	45	75.6 Å²	75.6	37%	0.372	43%	0.427	S	S	.	.	H	α-helix	trans	-59.7	-55.3	178.3	0	0	0	0	0	110.2	K76 L118 E119	K76-A122 PolarHBondContact NZ-O 2.99Å; L118-A122 WeakPolarHBondContact O-CB 3.14Å; L118-A122 PolarHBondContact O-N 3.15Å; E119-A122 WeakPolarHBondContact O-CA 3.43Å; E119-A122 VanDerWaalsContact O-CB 3.29Å; E119-A122 WeakPolarHBondContact O-CB 3.35Å; E119-A122 PolarHBondContact O-N 3.3Å
123	E	74.6	Confident	67.1	Low	132 Å²	132	79.2 Å²	79.2	62%	0.617	45%	0.449	S	S	*	.	H	α-helix	trans	-66.3	-44.1	-177	-65.4	-174	174.8	0	0	113.6	E119 S125 T126 T127	E119-E123 PolarHBondContact O-N 3.44Å; E123-S125 PolarHBondContact O-N 2.87Å; E123-T126 PolarHBondContact O-N 3.41Å; E123-T126 PolarHBondContact O-OG1 3.18Å; E123-T126 VanDerWaalsContact O-OG1 3.09Å; E123-T127 PolarHBondContact O-OG1 2.84Å
124	G	62.3	Low	64.5	Low	24 Å²	24	86.8 Å²	86.8	25%	0.247	49%	0.488	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	17.2	179.4	0	0	0	0	0	115.6	D120	D120-G124 PolarHBondContact O-N 2.85Å
125	S	52	Low	61.9	Low	48 Å²	48	96.4 Å²	96.4	34%	0.336	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.4	0.4	176.8	-169.7	0	0	0	0	113.9	R53 K76 E123	R53-S125 PolarHBondContact NH2-OG 2.81Å; R53-S125 VanDerWaalsContact NH2-OG 3.12Å; K76-S125 VanDerWaalsContact NZ-CB 3.25Å; E123-S125 PolarHBondContact O-N 2.87Å
126	T	45.1	Very low	59.5	Low	118 Å²	118	96.4 Å²	96.4	72%	0.724	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	-32.4	171.7	53.9	0	0	0	0	111.3	E123 S128	E123-T126 PolarHBondContact O-N 3.41Å; E123-T126 PolarHBondContact O-OG1 3.18Å; E123-T126 VanDerWaalsContact O-OG1 3.09Å; T126-S128 PolarHBondContact O-N 2.97Å
127	T	41.9	Very low	57.2	Low	117 Å²	117	99.9 Å²	99.9	72%	0.718	57%	0.574	S	S	*	*	S	Bend	trans	-87.2	74.1	173.9	39.4	0	0	0	0	112.2	E123	E123-T127 PolarHBondContact O-OG1 2.84Å
128	S	41.8	Very low	54.9	Low	64 Å²	64	108.6 Å²	108.6	45%	0.448	62%	0.619	S	S	.	*			trans	-153	54.4	172.2	-72.6	0	0	0	0	114	T126	T126-S128 PolarHBondContact O-N 2.97Å
129	S	40	Very low	52.2	Low	126 Å²	126	109.8 Å²	109.8	88%	0.881	64%	0.641	S	S	*	*	S	Bend	trans	178.5	66.6	153.5	-83.3	0	0	0	0	113.2
130	S	37.9	Very low	49.8	Very low	110 Å²	110	113.6 Å²	113.6	77%	0.769	66%	0.664	S	S	*	*	S	Bend	trans	-163.1	159.8	158.1	49.3	0	0	0	0	110.2
131	T	35.3	Very low	47.7	Very low	135 Å²	135	119.5 Å²	119.5	83%	0.828	70%	0.696	S	S	*	*	S	Bend	trans	65.2	47.1	176	-36.2	0	0	0	0	115.8
132	L	41.3	Very low	45.7	Very low	171 Å²	171	125.6 Å²	125.6	90%	0.895	73%	0.728	S	S	*	*			trans	-136.5	57.2	154.6	-82.2	-175.6	0	0	0	111.3
133	Q	37	Very low	43.9	Very low	183 Å²	183	130.1 Å²	130.1	86%	0.855	75%	0.751	S	S	*	*	S	Bend	trans	-171.6	110.7	161.3	-109.2	164.5	14.5	0	0	108.8
134	N	37.6	Very low	42	Very low	165 Å²	165	132.4 Å²	132.4	88%	0.882	76%	0.759	S	S	*	*			trans	156.4	49.6	154.7	-81.7	-5.1	0	0	0	112.3
135	E	40	Very low	40.9	Very low	205 Å²	205	135.6 Å²	135.6	96%	0.958	77%	0.774	S	S	*	*			trans	-132.5	65.2	162.5	-72.1	-161.2	132.9	0	0	109.5
136	A	41.4	Very low	40.1	Very low	91 Å²	91	139.5 Å²	139.5	75%	0.752	80%	0.796	S	S	*	*	S	Bend	trans	-149.7	119.9	169.8	0	0	0	0	0	109.8
137	E	42.7	Very low	39.7	Very low	188 Å²	188	138 Å²	138	88%	0.879	80%	0.795	S	S	*	*			trans	46.6	93.5	160.9	-57.1	-168.1	133.5	0	0	119
138	L	43.5	Very low	39.4	Very low	182 Å²	182	138.1 Å²	138.1	95%	0.953	80%	0.796	S	S	*	*				-170.9	138.3	125.2	-94.3	150.1	0	0	0	106.4
139	G	35.3	Very low	39.2	Very low	66 Å²	66	142.7 Å²	142.7	68%	0.68	82%	0.815	S	S	*	*			cis	137.2	109.9	11.2	0	0	0	0	0	106.8
140	D	37.4	Very low	39.1	Very low	154 Å²	154	141.8 Å²	141.8	82%	0.824	81%	0.809	S	S	*	*			trans	-67.9	144.9	-172.6	-166.3	18.7	0	0	0	112.4
141	D	43.5	Very low	39.2	Very low	159 Å²	159	141.7 Å²	141.7	85%	0.85	81%	0.808	S	S	*	*			trans	172.1	129.1	146	-95.5	-28.1	0	0	0	111.5
142	D	46.6	Very low	39.2	Very low	155 Å²	155	140.2 Å²	140.2	83%	0.829	80%	0.804	S	S	*	*			trans	-70.3	151.7	166.5	-86.4	-56.4	0	0	0	111.8
143	V	43.9	Very low	38.8	Very low	139 Å²	139	139.2 Å²	139.2	84%	0.842	80%	0.799	S	S	*	*			trans	-175.6	115.6	131.6	141.3	0	0	0	0	114.4
144	F	35.1	Very low	38.7	Very low	181 Å²	181	135 Å²	135	79%	0.794	79%	0.79	S	S	*	*			trans	36.7	118.8	132	-122.1	-128.8	0	0	0	123.4
145	T	39.2	Very low	38.8	Very low	91 Å²	91	131.8 Å²	131.8	56%	0.558	78%	0.781	S	S	*	*				80.5	116.9	129.3	50.4	0	0	0	0	125.6
146	T	35.5	Very low	38.5	Very low	130 Å²	130	131.1 Å²	131.1	80%	0.798	78%	0.777	S	S	*	*				81.3	158.6	125.9	61.1	0	0	0	0	123
147	A	37	Very low	38.1	Very low	85 Å²	85	135.8 Å²	135.8	70%	0.702	78%	0.776	S	S	*	*			trans	74.7	111.9	178.4	0	0	0	0	0	114.5
148	T	36	Very low	37.6	Very low	121 Å²	121	135.3 Å²	135.3	74%	0.742	77%	0.766	S	S	*	*				70.3	112.8	75.8	-55.5	0	0	0	0	109.3
149	D	37.9	Very low	37	Very low	159 Å²	159	134.1 Å²	134.1	85%	0.85	76%	0.755	S	S	*	*				-127.8	163.8	75	-92.6	-45.2	0	0	0	118.9
150	S	37.2	Very low	37.6	Very low	107 Å²	107	136.6 Å²	136.6	75%	0.748	76%	0.759	S	S	*	*			trans	-71.3	163	167.6	-64.1	0	0	0	0	111
151	S	39.3	Very low	37.2	Very low	108 Å²	108	133.2 Å²	133.2	76%	0.755	75%	0.753	S	S	*	*			cis	-154.2	158.3	40.2	57.7	0	0	0	0	111.2
152	S	35.1	Very low	36.6	Very low	104 Å²	104	132.9 Å²	132.9	73%	0.727	75%	0.748	S	S	*	*				57.4	133.7	52.2	-70.8	0	0	0	0	113.5
153	N	34.1	Very low	35.9	Very low	151 Å²	151	133.4 Å²	133.4	81%	0.807	75%	0.745	S	S	*	*			cis	-160	179	-11.5	-146.1	6.4	0	0	0	106.5
154	S	35.2	Very low	35.1	Very low	94 Å²	94	131.3 Å²	131.3	66%	0.657	74%	0.742	S	S	*	*			cis	-158.5	-170.6	8.4	-166.2	0	0	0	0	109.8
155	S	39.8	Very low	34.7	Very low	98 Å²	98	127.4 Å²	127.4	69%	0.685	74%	0.743	S	S	*	*			trans	-105.8	150.4	175.7	64	0	0	0	0	114.1
156	Q	32.7	Very low	34.7	Very low	190 Å²	190	129.4 Å²	129.4	89%	0.888	76%	0.758	S	S	*	*			trans	173.9	167.2	151.1	-100.1	160.2	80.5	0	0	110.9
157	R	32.9	Very low	34.4	Very low	190 Å²	190	127.3 Å²	127.3	72%	0.717	75%	0.754	S	S	*	*				179.9	127.3	-50.6	174.6	176	-167.7	-141.5	10.2	108.3
158	R	33.3	Very low	34	Very low	178 Å²	178	131.2 Å²	131.2	67%	0.672	76%	0.757	S	S	*	*			trans	72.4	121.3	165.6	-75.3	178.7	164.7	168.4	-4.5	120.6
159	E	30.1	Very low	33.4	Very low	157 Å²	157	133.8 Å²	133.8	73%	0.734	76%	0.758	S	S	*	*				41.3	155.2	110	-61	178.2	107.2	0	0	121.8
160	P	48.6	Very low	32.8	Very low	117 Å²	117	131.9 Å²	131.9	76%	0.76	76%	0.756	S	S	*	*			cis	-143.9	-171.2	-30.3	39.9	-20.7	0	0	0	115.4
161	A	27.6	Very low	32.3	Very low	84 Å²	84	132.9 Å²	132.9	69%	0.694	75%	0.749	S	S	*	*			trans	86.2	104.1	144.2	0	0	0	0	0	124.2
162	M	31	Very low	31.9	Very low	152 Å²	152	133.9 Å²	133.9	75%	0.749	75%	0.753	S	S	*	*				85.5	148.2	123.3	-65.7	-148.1	-64.9	0	0	125.5
163	H	32.3	Very low	31.6	Very low	166 Å²	166	138.8 Å²	138.8	77%	0.769	76%	0.756	S	S	*	*			trans	79.1	143.2	160.2	-56.3	-50.4	0	0	0	119.8
164	A	26.9	Very low	31.4	Very low	95 Å²	95	141.2 Å²	141.2	79%	0.785	75%	0.753	S	S	*	*			cis	-167.4	154.6	-21.1	0	0	0	0	0	111.8
165	A	26.9	Very low	31.1	Very low	98 Å²	98	146 Å²	146	81%	0.81	77%	0.765	S	S	*	*			trans	-155.4	154.3	160.6	0	0	0	0	0	110.9
166	P	38.8	Very low	30.6	Very low	133 Å²	133	146.2 Å²	146.2	86%	0.864	76%	0.759	S	S	*	*			trans	-109.2	175.8	-159.5	40.2	-33.3	0	0	0	117.2
167	A	29.2	Very low	30.3	Very low	87 Å²	87	143.9 Å²	143.9	72%	0.719	76%	0.761	S	S	*	*			trans	-80.4	169.1	-167.4	0	0	0	0	0	117
168	H	28.5	Very low	30.2	Very low	167 Å²	167	141.4 Å²	141.4	77%	0.773	76%	0.761	S	S	*	*			trans	-165.7	135.7	141.1	-97.5	-55.2	0	0	0	114
169	F	24.8	Very low	29.8	Very low	174 Å²	174	140 Å²	140	76%	0.763	77%	0.766	S	S	*	*			trans	50.2	121	158.8	-65.8	-73.6	0	0	0	120.6
170	C	25.6	Very low	29.8	Very low	119 Å²	119	135.3 Å²	135.3	80%	0.804	76%	0.76	S	S	*	*				67.8	143.7	83.7	-64.9	0	0	0	0	114.7
171	E	25.1	Very low	28.8	Very low	129 Å²	129	137.3 Å²	137.3	60%	0.603	76%	0.758	S	S	*	*			cis	-147.4	159.3	9.5	-162	177.8	-162.9	0	0	108.6	R173	E171-R173 HydrophobicContact CG-CG 4.37Å; E171-R173 WeakPolarHBondContact OE1-CG 3.3Å; E171-R173 IonicContact OE1-CZ 3.38Å; E171-R173 IonicContact OE1-NE 3.58Å; E171-R173 PolarHBondContact OE1-NE 3.19Å; E171-R173 IonicContact OE1-NH2 3.74Å; E171-R173 IonicContact OE2-NE 3.91Å
172	P	31.2	Very low	28.8	Very low	128 Å²	128	142.5 Å²	142.5	83%	0.831	77%	0.766	S	S	*	*				-138.3	142.6	117.5	22	-3.1	0	0	0	113.7	R174	P172-R174 PolarHBondContact O-N 2.96Å
173	R	29.3	Very low	28.8	Very low	208 Å²	208	147 Å²	147	79%	0.785	78%	0.776	S	S	*	*			trans	-73.6	125.1	-175.2	-86.8	167.7	-174.9	-159.1	-3.8	113.2	E171	E171-R173 HydrophobicContact CG-CG 4.37Å; E171-R173 WeakPolarHBondContact OE1-CG 3.3Å; E171-R173 IonicContact OE1-CZ 3.38Å; E171-R173 IonicContact OE1-NE 3.58Å; E171-R173 PolarHBondContact OE1-NE 3.19Å; E171-R173 IonicContact OE1-NH2 3.74Å; E171-R173 IonicContact OE2-NE 3.91Å
174	R	30.6	Very low	28.5	Very low	202 Å²	202	147.6 Å²	147.6	76%	0.762	78%	0.779	S	S	*	*			trans	-61.4	157.5	149.3	-61.5	176.1	176.9	165.5	-3.2	109.5	P172	P172-R174 PolarHBondContact O-N 2.96Å
175	H	27.9	Very low	28.7	Very low	195 Å²	195	151 Å²	151	90%	0.903	78%	0.779	S	S	*	*				-137.7	135.1	117.7	-106	64.2	0	0	0	108.8
176	N	29	Very low	28.7	Very low	102 Å²	102	155.6 Å²	155.6	55%	0.545	78%	0.783	S	S	.	*			trans	-86	162.6	176.1	-65	-1.1	0	0	0	109.6
177	C	26.1	Very low	28.2	Very low	140 Å²	140	158.4 Å²	158.4	95%	0.946	78%	0.776	S	S	*	*				-138.1	141.8	128.2	-118.4	0	0	0	0	109.6
178	I	30.6	Very low	28.2	Very low	139 Å²	139	160.4 Å²	160.4	71%	0.713	78%	0.782	S	S	*	*			trans	-116.7	125.3	-177.5	-64.4	161.8	0	0	0	107.1
179	L	26.3	Very low	28.2	Very low	149 Å²	149	155.3 Å²	155.3	78%	0.78	77%	0.765	S	S	*	*			trans	-158.2	139.9	146.1	-144.3	61.8	0	0	0	110.5	H181	L179-H181 WeakPolarHBondContact CD2-NE2 3.49Å
180	G	29.1	Very low	28.4	Very low	58 Å²	58	154 Å²	154	60%	0.598	77%	0.766	S	S	*	*			trans	-116.4	134.3	174.1	0	0	0	0	0	110.4
181	H	28.9	Very low	28.6	Very low	158 Å²	158	154.4 Å²	154.4	73%	0.731	76%	0.756	S	S	*	*			trans	-129	112.5	163.9	-68.1	-88.1	0	0	0	105.5	L179	L179-H181 WeakPolarHBondContact CD2-NE2 3.49Å
182	F	27.6	Very low	28.8	Very low	194 Å²	194	158.5 Å²	158.5	85%	0.851	77%	0.768	S	S	*	*				48.5	104.2	74.7	-79.9	-80.9	0	0	0	112.7	E184	F182-E184 PolarHBondContact O-N 2.98Å
183	Y	30.8	Very low	28.7	Very low	246 Å²	246	160.6 Å²	160.6	97%	0.965	76%	0.764	S	S	*	*			trans	-69.2	117	160.9	-112.2	-102.3	0	0	0	108.1
184	E	26.3	Very low	28.8	Very low	178 Å²	178	158.9 Å²	158.9	83%	0.832	77%	0.769	S	S	*	*			trans	-144.6	159.8	163.1	-164.1	155.2	-152.4	0	0	110.4	F182	F182-E184 PolarHBondContact O-N 2.98Å
185	H	29.7	Very low	28.7	Very low	168 Å²	168	155.7 Å²	155.7	78%	0.778	77%	0.767	S	S	*	*			trans	-59.9	152.7	-175.2	-65.3	-92.1	0	0	0	112.9
186	H	28.4	Very low	29	Very low	193 Å²	193	152 Å²	152	89%	0.894	76%	0.761	S	S	*	*				-154.7	160.2	114	-105.9	-70.3	0	0	0	112.6
187	R	27.3	Very low	29	Very low	192 Å²	192	150.6 Å²	150.6	73%	0.725	76%	0.763	S	S	*	*			trans	-111.6	141	-168.4	163.4	-175	180	147.8	-2.2	109.8	S189	R187-S189 PolarHBondContact NH2-OG 2.86Å
188	P	29.9	Very low	29	Very low	130 Å²	130	149.9 Å²	149.9	84%	0.844	75%	0.754	S	S	*	*			trans	-95.3	142.5	139.5	-17.2	33.5	0	0	0	110.9
189	S	28.4	Very low	28.8	Very low	60 Å²	60	152.5 Å²	152.5	42%	0.42	76%	0.763	S	S	.	*			trans	-108.9	146.7	173	-159.6	0	0	0	0	108.3	R187	R187-S189 PolarHBondContact NH2-OG 2.86Å
190	D	28.7	Very low	28.8	Very low	145 Å²	145	151.7 Å²	151.7	78%	0.775	76%	0.758	S	S	*	*				-168.8	168.4	120.2	-94.5	-16.4	0	0	0	113.2
191	H	29.3	Very low	28.6	Very low	129 Å²	129	157.9 Å²	157.9	60%	0.597	77%	0.769	S	S	*	*			trans	-63.7	156.6	-163.3	-61.2	-93.6	0	0	0	113.6
192	Y	30.3	Very low	29.1	Very low	215 Å²	215	155.4 Å²	155.4	84%	0.843	77%	0.767	S	S	*	*				-150.1	173.5	50.3	-96.3	-91	0	0	0	116.3
193	F	28.8	Very low	29.1	Very low	171 Å²	171	157.8 Å²	157.8	75%	0.75	77%	0.77	S	S	*	*			trans	-66.5	147.1	-176.9	-70.1	-109.8	0	0	0	114.7
194	L	32	Very low	28.9	Very low	173 Å²	173	155.3 Å²	155.3	91%	0.906	77%	0.767	S	S	*	*				-171.8	138.8	102.4	-96.5	168.1	0	0	0	111.7
195	D	26.8	Very low	29	Very low	135 Å²	135	152 Å²	152	72%	0.722	77%	0.77	S	S	*	*			trans	-105.6	148.3	169.2	177.9	33.7	0	0	0	108.2	A197	D195-A197 PolarHBondContact OD1-N 2.9Å
196	P	35.6	Very low	28.8	Very low	118 Å²	118	149.4 Å²	149.4	77%	0.766	77%	0.771	S	S	*	*				-145.9	122.4	115.1	34.1	-17	0	0	0	116.3
197	A	27.7	Very low	28.6	Very low	72 Å²	72	149.6 Å²	149.6	60%	0.595	77%	0.769	S	S	*	*				55.7	102.4	123.7	0	0	0	0	0	120.3	D195	D195-A197 PolarHBondContact OD1-N 2.9Å
198	V	27.4	Very low	28.9	Very low	124 Å²	124	146.5 Å²	146.5	75%	0.752	77%	0.774	S	S	*	*				29.5	122.6	123.2	-175.5	0	0	0	0	119
199	H	26.4	Very low	29.1	Very low	194 Å²	194	147.6 Å²	147.6	90%	0.898	77%	0.772	S	S	*	*			trans	-152.1	154	131.5	-96.5	-62.4	0	0	0	111.2
200	I	24.5	Very low	29.1	Very low	133 Å²	133	153.1 Å²	153.1	68%	0.682	79%	0.791	S	S	*	*			trans	-144.1	121.5	-165.4	-121.3	169.1	0	0	0	111.9
201	F	26.6	Very low	29.2	Very low	188 Å²	188	153.1 Å²	153.1	83%	0.825	79%	0.791	S	S	*	*			trans	57.6	174.5	161	-61	-47.9	0	0	0	119.4
202	P	38.2	Very low	29.3	Very low	106 Å²	106	154.4 Å²	154.4	69%	0.688	80%	0.798	S	S	*	*			cis	-131.6	172	-38.5	30.2	-12.7	0	0	0	113.9
203	R	27.9	Very low	29.2	Very low	243 Å²	243	152.4 Å²	152.4	92%	0.917	80%	0.796	S	S	*	*				169.5	165	124.1	-93	167.3	-176.4	-170.2	1.6	114.7
204	H	27	Very low	29.4	Very low	195 Å²	195	150.3 Å²	150.3	90%	0.903	79%	0.791	S	S	*	*			trans	-80.3	149.9	179.2	-67.6	-108.6	0	0	0	113.8
205	A	27.5	Very low	29.4	Very low	108 Å²	108	146.5 Å²	146.5	89%	0.893	78%	0.775	S	S	*	*			trans	-152	162.7	148.4	0	0	0	0	0	109.4
206	S	25.8	Very low	29.5	Very low	113 Å²	113	150 Å²	150	79%	0.79	78%	0.778	S	S	*	*			trans	-110.9	157.5	-172.8	52.2	0	0	0	0	114.1
207	F	24.9	Very low	29.2	Very low	197 Å²	197	152.6 Å²	152.6	86%	0.864	78%	0.777	S	S	*	*			trans	-52.9	153.3	177.6	-56.7	-82.4	0	0	0	114.5
208	P	33	Very low	29.2	Very low	127 Å²	127	152.8 Å²	152.8	83%	0.825	78%	0.775	S	S	*	*				-112.6	-170.7	100.5	-12.5	31.3	0	0	0	115.8
209	L	34.2	Very low	29.5	Very low	153 Å²	153	152.6 Å²	152.6	80%	0.801	78%	0.776	S	S	*	*			trans	-89.9	168.3	-171.2	-85.3	153	0	0	0	114.6
210	E	29.4	Very low	29.8	Very low	177 Å²	177	153.8 Å²	153.8	83%	0.827	77%	0.772	S	S	*	*			trans	65	119.2	168.5	-66.9	149	138.5	0	0	114.1
211	D	29.1	Very low	30.3	Very low	145 Å²	145	154.9 Å²	154.9	78%	0.775	78%	0.775	S	S	*	*			cis	-156.4	159.5	49.6	-145.2	-21.5	0	0	0	115
212	Q	32.5	Very low	30.9	Very low	156 Å²	156	154.9 Å²	154.9	73%	0.729	77%	0.769	S	S	*	*			trans	42.7	66.8	151.6	-150.7	168.5	117	0	0	121.6	I214	Q212-I214 PolarHBondContact O-N 2.98Å; Q212-I214 VanDerWaalsContact O-N 3.13Å
213	E	27.9	Very low	30.9	Very low	173 Å²	173	153.3 Å²	153.3	81%	0.808	76%	0.761	S	S	*	*			trans	-80.2	90.8	172.7	-159.8	-171	-166.4	0	0	113.9	V215	E213-V215 VanDerWaalsContact C-N 3.29Å; E213-V215 HydrophobicContact CB-CG2 4.48Å; E213-V215 HydrophobicContact CG-CG2 3.58Å; E213-V215 PolarHBondContact O-N 3.22Å; E213-V215 WeakPolarHBondContact OE1-CG2 3.45Å
214	I	32.3	Very low	31.5	Very low	126 Å²	126	151.8 Å²	151.8	65%	0.646	76%	0.755	S	S	*	*			trans	-76.7	82.3	165	-62.2	173.5	0	0	0	109.3	Q212 R216	Q212-I214 PolarHBondContact O-N 2.98Å; Q212-I214 VanDerWaalsContact O-N 3.13Å; I214-R216 PolarHBondContact O-N 3.26Å
215	V	33.1	Very low	32.3	Very low	93 Å²	93	147 Å²	147	56%	0.564	74%	0.736	S	S	*	*			trans	-65.7	100.9	171.6	-175.4	0	0	0	0	109.5	E213 F217	E213-V215 VanDerWaalsContact C-N 3.29Å; E213-V215 HydrophobicContact CB-CG2 4.48Å; E213-V215 HydrophobicContact CG-CG2 3.58Å; E213-V215 PolarHBondContact O-N 3.22Å; E213-V215 WeakPolarHBondContact OE1-CG2 3.45Å; V215-F217 PolarHBondContact O-N 2.56Å
216	R	28.7	Very low	33	Very low	209 Å²	209	146.4 Å²	146.4	79%	0.789	72%	0.721	S	S	*	*			trans	-60.5	123.3	166.2	-74.6	176.4	166.7	75.5	-1.2	108.5	I214 S218	I214-R216 PolarHBondContact O-N 3.26Å; R216-S218 PolarHBondContact O-N 2.99Å
217	F	30.2	Very low	34.3	Very low	172 Å²	172	142.3 Å²	142.3	75%	0.754	70%	0.697	S	S	*	*			trans	-61.1	93.8	178.8	-67.4	-88.3	0	0	0	111.3	V215 P219	V215-F217 PolarHBondContact O-N 2.56Å; F217-P219 VanDerWaalsContact O-CD 3.32Å; F217-P219 WeakPolarHBondContact O-CD 3.4Å
218	S	26.3	Very low	35.3	Very low	77 Å²	77	135.9 Å²	135.9	54%	0.538	67%	0.668	S	S	.	*			trans	-82	113.7	172.2	-173.5	0	0	0	0	109.4	R216 R220	R216-S218 PolarHBondContact O-N 2.99Å; S218-R220 PolarHBondContact O-N 2.69Å
219	P	35.2	Very low	35.9	Very low	120 Å²	120	132.2 Å²	132.2	78%	0.779	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-7.9	-171.2	-22.7	35.6	0	0	0	115.3	F217	F217-P219 VanDerWaalsContact O-CD 3.32Å; F217-P219 WeakPolarHBondContact O-CD 3.4Å
220	R	31.6	Very low	36.7	Very low	218 Å²	218	129 Å²	129	82%	0.823	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-19.1	-167.2	-79.4	-172.3	167	-160.2	-4	116.1	S218	S218-R220 PolarHBondContact O-N 2.69Å
221	E	34.5	Very low	37.7	Very low	157 Å²	157	129 Å²	129	73%	0.734	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-13.3	-175.3	-67.1	-172.3	129	0	0	114.4
222	R	40.5	Very low	38.7	Very low	187 Å²	187	125.6 Å²	125.6	71%	0.706	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-3.4	-173.9	-90.1	-171.8	176.7	-165.7	-1.4	116.4	W224 L225 T226	R222-W224 PolarHBondContact O-N 3.47Å; R222-W224 VanDerWaalsContact O-N 3.16Å; R222-L225 HydrophobicContact CG-CB 4.42Å; R222-L225 WeakPolarHBondContact O-CA 3.3Å; R222-L225 WeakPolarHBondContact O-CB 3.47Å; R222-L225 PolarHBondContact O-N 3.38Å; R222-T226 PolarHBondContact O-N 2.73Å; R222-T226 PolarHBondContact O-OG1 3.12Å
223	S	36.5	Very low	39.4	Very low	73 Å²	73	122.7 Å²	122.7	51%	0.51	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.6	-30.6	-177.1	53.3	0	0	0	0	114.1	L225	S223-L225 VanDerWaalsContact C-N 3.33Å
224	W	42.1	Very low	40.3	Very low	211 Å²	211	116.8 Å²	116.8	80%	0.799	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-7.1	174.4	-9.9	88.2	0	0	0	113.7	R222	R222-W224 PolarHBondContact O-N 3.47Å; R222-W224 VanDerWaalsContact O-N 3.16Å
225	L	42.6	Very low	40.6	Very low	95 Å²	95	117 Å²	117	50%	0.497	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.1	-22.7	-178.9	-125.4	74.5	0	0	0	113.1	R222 S223 G227 R347	R222-L225 HydrophobicContact CG-CB 4.42Å; R222-L225 WeakPolarHBondContact O-CA 3.3Å; R222-L225 WeakPolarHBondContact O-CB 3.47Å; R222-L225 PolarHBondContact O-N 3.38Å; S223-L225 VanDerWaalsContact C-N 3.33Å; L225-G227 PolarHBondContact O-N 3.43Å; L225-R347 PolarHBondContact O-NH2 3.29Å
226	T	42.4	Very low	40.9	Very low	95 Å²	95	114.5 Å²	114.5	58%	0.583	55%	0.551	S	S	*	*			trans	-57.1	97.5	167.4	-58.2	0	0	0	0	109.6	R222 D230	R222-T226 PolarHBondContact O-N 2.73Å; R222-T226 PolarHBondContact O-OG1 3.12Å; T226-D230 WeakPolarHBondContact CA-OD2 3.33Å; T226-D230 WeakPolarHBondContact CG2-OD2 3.46Å
227	G	52.8	Low	41.3	Very low	28 Å²	28	108.8 Å²	108.8	29%	0.289	54%	0.54	S	S	.	.			trans	-122.2	174.2	-171.3	0	0	0	0	0	111.8	L225 E229 D230	L225-G227 PolarHBondContact O-N 3.43Å; G227-E229 PolarHBondContact O-N 2.97Å; G227-D230 PolarHBondContact N-OD2 3.01Å; G227-D230 WeakPolarHBondContact O-CB 3.35Å; G227-D230 PolarHBondContact O-N 2.97Å
228	Y	47.1	Very low	41.6	Very low	62 Å²	62	110.7 Å²	110.7	24%	0.243	54%	0.542	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-26.7	-171.5	-174.8	-90.2	0	0	0	115.7	D230 Y231 D355 Y359	Y228-D230 PolarHBondContact O-N 2.69Å; Y228-D230 VanDerWaalsContact O-N 3.14Å; Y228-Y231 HydrophobicContact CD2-CD2 4.08Å; Y228-Y231 PolarHBondContact O-N 2.98Å; Y228-D355 HydrophobicContact CD1-CB 4.36Å; Y228-D355 HydrophobicContact CE1-CB 3.85Å; Y228-Y359 WeakPolarHBondContact OH-CB 3.3Å
229	E	44.4	Very low	42.1	Very low	50 Å²	50	112.2 Å²	112.2	23%	0.234	54%	0.544	C	S	.	.	H	α-helix	trans	-47.9	-37.3	169.6	-56.3	-72.2	137.6	0	0	112.5	G227 Y231 R232 H233 R346	G227-E229 PolarHBondContact O-N 2.97Å; E229-Y231 PolarHBondContact O-N 2.84Å; E229-R232 PolarHBondContact O-N 2.87Å; E229-R232 VanDerWaalsContact O-N 3.13Å; E229-H233 PolarHBondContact O-CD2 3.41Å; E229-H233 VanDerWaalsContact O-CD2 3.29Å; E229-H233 PolarHBondContact O-N 2.97Å; E229-R346 WeakPolarHBondContact OE1-CD 3.3Å; E229-R346 IonicContact OE1-CZ 2.68Å; E229-R346 IonicContact OE1-NE 3.24Å; E229-R346 IonicContact OE1-NH1 3.64Å; E229-R346 PolarHBondContact OE1-NH1 3.01Å; E229-R346 IonicContact OE2-CZ 2.79Å; E229-R346 IonicContact OE2-NE 2.92Å; E229-R346 IonicContact OE2-NH1 3.31Å
230	D	51.6	Low	42	Very low	84 Å²	84	112.4 Å²	112.4	45%	0.449	53%	0.532	S	S	.	.	H	α-helix	trans	-63.4	-26.3	179.8	-70.4	-42.3	0	0	0	112.3	T226 G227 Y228 A234	T226-D230 WeakPolarHBondContact CA-OD2 3.33Å; T226-D230 WeakPolarHBondContact CG2-OD2 3.46Å; G227-D230 PolarHBondContact N-OD2 3.01Å; G227-D230 WeakPolarHBondContact O-CB 3.35Å; G227-D230 PolarHBondContact O-N 2.97Å; Y228-D230 PolarHBondContact O-N 2.69Å; Y228-D230 VanDerWaalsContact O-N 3.14Å; D230-A234 WeakPolarHBondContact O-CA 3.21Å; D230-A234 WeakPolarHBondContact O-CB 3.36Å; D230-A234 PolarHBondContact O-N 3.41Å
231	Y	50.2	Low	41.8	Very low	179 Å²	179	108.8 Å²	108.8	70%	0.702	53%	0.529	S	S	*	.	H	α-helix	trans	-73.4	-42.6	172.1	-69.1	-73.4	0	0	0	112.1	Y228 E229 H233	Y228-Y231 HydrophobicContact CD2-CD2 4.08Å; Y228-Y231 PolarHBondContact O-N 2.98Å; E229-Y231 PolarHBondContact O-N 2.84Å; Y231-H233 PolarHBondContact O-N 3.24Å
232	R	49.4	Very low	41.7	Very low	73 Å²	73	106.6 Å²	106.6	28%	0.275	53%	0.528	S	S	.	.	H	α-helix	trans	-64	-29	177	-166.7	170.6	-179	76.3	-5.5	111.5	E229 Y369 D371	E229-R232 PolarHBondContact O-N 2.87Å; E229-R232 VanDerWaalsContact O-N 3.13Å; R232-Y369 PolarHBondContact NH1-OH 3.28Å; R232-D371 IonicContact CZ-OD1 3.79Å; R232-D371 IonicContact NE-OD1 3.63Å; R232-D371 IonicContact NH2-OD1 3.85Å; R232-D371 PolarHBondContact NH2-OD1 3.46Å
233	H	46.9	Very low	41.2	Very low	95 Å²	95	106 Å²	106	44%	0.44	53%	0.533	S	S	.	.	H	α-helix	trans	-102.2	-22.4	-179.4	-70.8	-69.8	0	0	0	115.7	E229 Y231 N235 A236 T237	E229-H233 PolarHBondContact O-CD2 3.41Å; E229-H233 VanDerWaalsContact O-CD2 3.29Å; E229-H233 PolarHBondContact O-N 2.97Å; Y231-H233 PolarHBondContact O-N 3.24Å; H233-N235 VanDerWaalsContact C-N 3.27Å; H233-N235 PolarHBondContact O-N 2.9Å; H233-A236 CarbonylContact O-C 3.59Å; H233-A236 WeakPolarHBondContact O-CA 3.41Å; H233-A236 WeakPolarHBondContact O-CB 3.28Å; H233-A236 PolarHBondContact O-N 2.93Å; H233-T237 PolarHBondContact O-N 2.98Å; H233-T237 PolarHBondContact O-OG1 2.98Å; H233-T237 VanDerWaalsContact O-OG1 3.05Å
234	A	47.3	Very low	40.9	Very low	48 Å²	48	107.8 Å²	107.8	40%	0.397	54%	0.543	S	S	.	.	H	α-helix	trans	-55.9	-40.5	-178.3	0	0	0	0	0	113.1	D230 A236 T237 R238	D230-A234 WeakPolarHBondContact O-CA 3.21Å; D230-A234 WeakPolarHBondContact O-CB 3.36Å; D230-A234 PolarHBondContact O-N 3.41Å; A234-A236 PolarHBondContact O-N 3.01Å; A234-T237 PolarHBondContact O-N 2.66Å; A234-R238 WeakPolarHBondContact O-CB 3.37Å; A234-R238 PolarHBondContact O-N 3.2Å
235	N	39.3	Very low	40.2	Very low	131 Å²	131	109.3 Å²	109.3	70%	0.701	55%	0.549	S	S	*	.	H	α-helix	trans	-66.6	-20.9	176.6	-69.9	-8.5	0	0	0	113.1	H233	H233-N235 VanDerWaalsContact C-N 3.27Å; H233-N235 PolarHBondContact O-N 2.9Å
236	A	40.1	Very low	39.6	Very low	40 Å²	40	111.3 Å²	111.3	33%	0.331	56%	0.56	S	S	.	*	H	α-helix	trans	-95.8	-27.2	174.2	0	0	0	0	0	113.1	H233 A234	H233-A236 CarbonylContact O-C 3.59Å; H233-A236 WeakPolarHBondContact O-CA 3.41Å; H233-A236 WeakPolarHBondContact O-CB 3.28Å; H233-A236 PolarHBondContact O-N 2.93Å; A234-A236 PolarHBondContact O-N 3.01Å
237	T	36.9	Very low	39.4	Very low	89 Å²	89	112 Å²	112	55%	0.546	57%	0.566	S	S	.	*	H	α-helix	trans	-78.9	-29	177.7	-51.5	0	0	0	0	112	H233 A234 D239 K240	H233-T237 PolarHBondContact O-N 2.98Å; H233-T237 PolarHBondContact O-OG1 2.98Å; H233-T237 VanDerWaalsContact O-OG1 3.05Å; A234-T237 PolarHBondContact O-N 2.66Å; T237-D239 VanDerWaalsContact C-N 3.25Å; T237-D239 PolarHBondContact O-N 3.45Å; T237-K240 PolarHBondContact O-N 3.24Å
238	R	35.1	Very low	38.5	Very low	213 Å²	213	117.2 Å²	117.2	80%	0.804	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-61.4	-31.9	177.8	-172.4	171.3	177.5	167.7	-1.5	113.1	A234 K240	A234-R238 WeakPolarHBondContact O-CB 3.37Å; A234-R238 PolarHBondContact O-N 3.2Å; R238-K240 VanDerWaalsContact C-N 3.28Å; R238-K240 PolarHBondContact O-N 2.98Å
239	D	37.6	Very low	37.9	Very low	108 Å²	108	120.2 Å²	120.2	58%	0.578	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-78.6	-7.3	174.3	-71	-13.1	0	0	0	113.4	T237	T237-D239 VanDerWaalsContact C-N 3.25Å; T237-D239 PolarHBondContact O-N 3.45Å
240	K	33.6	Very low	37.3	Very low	124 Å²	124	123.8 Å²	123.8	54%	0.539	64%	0.642	S	S	.	*	G	3₁₀ helix	trans	-109.6	15.6	-176.1	-67.1	-166.7	179.3	-175.2	0	114.6	T237 R238 P242	T237-K240 PolarHBondContact O-N 3.24Å; R238-K240 VanDerWaalsContact C-N 3.28Å; R238-K240 PolarHBondContact O-N 2.98Å; K240-P242 WeakPolarHBondContact O-CD 3.36Å
241	L	27.4	Very low	36.3	Very low	142 Å²	142	125.5 Å²	125.5	74%	0.743	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-85.4	117.7	170.7	-177.8	66.4	0	0	0	110.6	Q243	L241-Q243 PolarHBondContact O-N 3.49Å; L241-Q243 VanDerWaalsContact O-N 3.16Å
242	P	32.4	Very low	35.2	Very low	111 Å²	111	125 Å²	125	72%	0.721	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-64.6	117.4	170.3	-18.1	32.5	0	0	0	109.5	K240	K240-P242 WeakPolarHBondContact O-CD 3.36Å
243	Q	29.7	Very low	34.4	Very low	174 Å²	174	130.7 Å²	130.7	81%	0.813	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-60.8	124.8	176.4	-173.8	173.2	2.4	0	0	109.3	L241 R245	L241-Q243 PolarHBondContact O-N 3.49Å; L241-Q243 VanDerWaalsContact O-N 3.16Å; Q243-R245 PolarHBondContact O-N 3.31Å
244	P	30.3	Very low	33.6	Very low	112 Å²	112	132.2 Å²	132.2	73%	0.727	70%	0.702	S	S	*	*			trans	-65	111.9	-178.3	24.9	-33	0	0	0	109.7	N246	P244-N246 PolarHBondContact O-N 3.35Å
245	R	27.4	Very low	32.9	Very low	243 Å²	243	139.3 Å²	139.3	92%	0.917	72%	0.724	S	S	*	*			trans	-67.3	97.5	172.8	-79.6	-177.9	167.7	-179.5	-4	109.2	Q243 P247	Q243-R245 PolarHBondContact O-N 3.31Å; R245-P247 WeakPolarHBondContact O-CD 3.49Å
246	N	28.9	Very low	32.5	Very low	137 Å²	137	138.1 Å²	138.1	73%	0.733	73%	0.726	S	S	*	*			trans	-77.9	114.3	169.2	-166.9	13.7	0	0	0	108.7	P244 D248	P244-N246 PolarHBondContact O-N 3.35Å; N246-D248 PolarHBondContact O-N 3.38Å
247	P	38.3	Very low	32	Very low	110 Å²	110	144.3 Å²	144.3	71%	0.714	75%	0.753	S	S	*	*			trans	-92.6	20.2	-160.7	37.2	-36.8	0	0	0	115.7	R245	R245-P247 WeakPolarHBondContact O-CD 3.49Å
248	D	34	Very low	31.7	Very low	136 Å²	136	144.6 Å²	144.6	73%	0.727	76%	0.764	S	S	*	*			trans	-123.8	58.4	-168.9	-80.7	-60.5	0	0	0	114.7	N246	N246-D248 PolarHBondContact O-N 3.38Å
249	T	35.8	Very low	31.9	Very low	125 Å²	125	139.9 Å²	139.9	77%	0.767	76%	0.762	S	S	*	*			trans	-152.6	56.1	164	-33.5	0	0	0	0	114.6
250	C	30.3	Very low	31.7	Very low	126 Å²	126	144.1 Å²	144.1	85%	0.851	78%	0.775	S	S	*	*			trans	-107.2	108.8	168.3	-75.7	0	0	0	0	110.6	H252	C250-H252 PolarHBondContact O-N 2.92Å
251	V	31.4	Very low	31.5	Very low	119 Å²	119	149.3 Å²	149.3	72%	0.721	79%	0.791	S	S	*	*			trans	-76.3	114.8	-178	-168.5	0	0	0	0	110.2	F253	V251-F253 PolarHBondContact O-N 2.84Å
252	H	27.7	Very low	31.6	Very low	169 Å²	169	149.5 Å²	149.5	78%	0.782	79%	0.793	S	S	*	*			trans	-71	114.5	179.4	-109.9	-80.6	0	0	0	111.8	C250	C250-H252 PolarHBondContact O-N 2.92Å
253	F	31.1	Very low	31.4	Very low	192 Å²	192	155 Å²	155	84%	0.842	80%	0.801	S	S	*	*			trans	-93.8	111.4	160.6	-81.1	-84.7	0	0	0	109.6	V251	V251-F253 PolarHBondContact O-N 2.84Å
254	T	31.6	Very low	31.5	Very low	128 Å²	128	153.1 Å²	153.1	79%	0.785	80%	0.801	S	S	*	*			trans	-90.1	133.4	178.7	44	0	0	0	0	111.4
255	K	32.5	Very low	31.3	Very low	197 Å²	197	158.1 Å²	158.1	86%	0.857	81%	0.807	S	S	*	*			trans	-147.2	83.3	167.1	-164.8	172.8	-177.4	178.9	0	112.8
256	S	29.8	Very low	31.8	Very low	106 Å²	106	151.2 Å²	151.2	74%	0.741	79%	0.794	S	S	*	*			trans	36.9	112.7	149.3	60.6	0	0	0	0	119.8
257	D	30.9	Very low	32	Very low	170 Å²	170	155.1 Å²	155.1	91%	0.909	80%	0.8	S	S	*	*			trans	-61.7	150.2	164.8	-74.1	-80.1	0	0	0	115
258	A	30.1	Very low	32	Very low	94 Å²	94	154.8 Å²	154.8	78%	0.777	80%	0.797	S	S	*	*			trans	-178	154.9	135	0	0	0	0	0	111
259	P	39	Very low	32.1	Very low	115 Å²	115	155.9 Å²	155.9	75%	0.747	80%	0.802	S	S	*	*			cis	-126.9	166.7	-48.7	38.3	-25.8	0	0	0	111.7
260	K	33.9	Very low	31.8	Very low	197 Å²	197	154.5 Å²	154.5	86%	0.857	80%	0.798	S	S	*	*			trans	-63.9	145.7	174.1	-66.4	-176.6	179.9	-178.9	0	112.3
261	R	28.6	Very low	31.8	Very low	232 Å²	232	154.9 Å²	154.9	88%	0.875	80%	0.801	S	S	*	*			trans	-140.5	108	163	-78.8	-171.6	168	-171.8	-4	110.3
262	D	29.4	Very low	31.6	Very low	146 Å²	146	152.2 Å²	152.2	78%	0.781	80%	0.798	S	S	*	*			trans	-78	126.1	166.4	-59.7	-68.8	0	0	0	109.5
263	Y	29	Very low	31.8	Very low	227 Å²	227	150.8 Å²	150.8	89%	0.89	80%	0.8	S	S	*	*			trans	-153.2	114.7	163.2	-102.6	-72	0	0	0	111.5
264	T	31.9	Very low	31.7	Very low	134 Å²	134	149.1 Å²	149.1	82%	0.822	80%	0.795	S	S	*	*			trans	-101.1	125.4	171.2	-62.3	0	0	0	0	109.1
265	Y	25.8	Very low	31.5	Very low	217 Å²	217	151.3 Å²	151.3	85%	0.851	80%	0.797	S	S	*	*			trans	-161.5	175.5	161.1	-128.9	-130.7	0	0	0	110
266	P	37.3	Very low	31.2	Very low	98 Å²	98	145 Å²	145	64%	0.636	79%	0.787	S	S	*	*				-127.3	-179	-104.9	41.3	-24.6	0	0	0	114.9
267	Y	34.3	Very low	31.1	Very low	219 Å²	219	149.4 Å²	149.4	86%	0.859	79%	0.793	S	S	*	*			trans	-75.8	150.2	167.3	-89.9	-97.4	0	0	0	112.7
268	P	37.4	Very low	31	Very low	103 Å²	103	147.8 Å²	147.8	67%	0.669	79%	0.785	S	S	*	*			trans	-85.4	136	171.8	33.4	-33.2	0	0	0	113.7
269	L	35.6	Very low	30.8	Very low	159 Å²	159	148.7 Å²	148.7	83%	0.832	79%	0.785	S	S	*	*				36	137.6	127.1	-53	174.7	0	0	0	119.8
270	S	30.4	Very low	30.4	Very low	96 Å²	96	152.7 Å²	152.7	67%	0.671	79%	0.791	S	S	*	*			cis	-174.6	173.9	-3.4	-116.2	0	0	0	0	113.7
271	C	29.2	Very low	31.1	Very low	134 Å²	134	149.3 Å²	149.3	91%	0.905	79%	0.789	S	S	*	*			trans	76.3	135.6	162.5	-62.6	0	0	0	0	118.5
272	G	28.6	Very low	30.9	Very low	64 Å²	64	141.9 Å²	141.9	66%	0.66	78%	0.784	S	S	*	*			cis	-165.2	142.9	-6.5	0	0	0	0	0	110.5
273	V	30.5	Very low	30.7	Very low	139 Å²	139	145.4 Å²	145.4	84%	0.842	79%	0.787	S	S	*	*				74	123.4	81.1	165.6	0	0	0	0	112.4
274	Q	29.4	Very low	30.6	Very low	157 Å²	157	140.7 Å²	140.7	73%	0.734	78%	0.776	S	S	*	*			cis	-170.5	172.4	-8.1	-158.6	163.3	7.9	0	0	111.5
275	Q	27.9	Very low	30.3	Very low	174 Å²	174	142.3 Å²	142.3	81%	0.813	78%	0.775	S	S	*	*			trans	66.3	152.8	166.2	-79.9	159.2	-22.4	0	0	118.4
276	G	26	Very low	30.4	Very low	64 Å²	64	136.5 Å²	136.5	66%	0.66	77%	0.771	S	S	*	*			cis	156.5	155	-10.1	0	0	0	0	0	114.4
277	F	28.5	Very low	29.9	Very low	198 Å²	198	135.6 Å²	135.6	87%	0.868	78%	0.779	S	S	*	*			trans	79.4	-177.5	174.1	-66.6	-75.7	0	0	0	119
278	D	27.1	Very low	29.6	Very low	137 Å²	137	129.1 Å²	129.1	73%	0.733	78%	0.779	S	S	*	*				-138.5	158.4	-114	-138.7	-52.1	0	0	0	116.2
279	S	27.9	Very low	29.2	Very low	112 Å²	112	127.7 Å²	127.7	78%	0.783	78%	0.783	S	S	*	*			trans	72.7	168.2	153.6	-73.4	0	0	0	0	122.9
280	K	29.1	Very low	28.9	Very low	200 Å²	200	132 Å²	132	87%	0.87	79%	0.788	S	S	*	*			trans	-109.9	-175.6	-162.3	-90.9	179.7	177.5	176.2	0	112.3
281	P	48.2	Very low	28.8	Very low	126 Å²	126	139.2 Å²	139.2	82%	0.818	80%	0.801	S	S	*	*			cis	-136.1	177.3	-38.6	37.6	-21	0	0	0	114
282	G	24.7	Very low	28.7	Very low	75 Å²	75	137.5 Å²	137.5	77%	0.773	80%	0.797	S	S	*	*			trans	172.1	98.2	162.1	0	0	0	0	0	122.6
283	R	25.7	Very low	28.9	Very low	221 Å²	221	141 Å²	141	83%	0.834	81%	0.805	S	S	*	*			trans	50.5	116.5	132	-154.5	176.3	-167.7	-88.8	-0.6	124.3
284	L	27.3	Very low	28.8	Very low	127 Å²	127	140 Å²	140	67%	0.665	80%	0.799	S	S	*	*			trans	71.4	123	147	-96.4	80.1	0	0	0	124.5
285	E	25.2	Very low	29.1	Very low	169 Å²	169	139 Å²	139	79%	0.79	80%	0.803	S	S	*	*				78	151.6	128.7	-79.9	-60.3	156.4	0	0	125.8
286	A	27.5	Very low	29.1	Very low	95 Å²	95	137.9 Å²	137.9	79%	0.785	80%	0.802	S	S	*	*			trans	65.8	139.7	163	0	0	0	0	0	121.1
287	G	27.8	Very low	29.5	Very low	78 Å²	78	143.9 Å²	143.9	80%	0.804	81%	0.813	S	S	*	*			trans	130.9	50.1	141.2	0	0	0	0	0	121.9
288	G	27.6	Very low	29.6	Very low	83 Å²	83	140.3 Å²	140.3	86%	0.856	81%	0.81	S	S	*	*			trans	38.7	82.7	142.3	0	0	0	0	0	122.8
289	G	28.1	Very low	29.8	Very low	73 Å²	73	144.7 Å²	144.7	75%	0.753	82%	0.816	S	S	*	*				72.8	112.8	122.5	0	0	0	0	0	122.7
290	R	29.1	Very low	30.2	Very low	249 Å²	249	145.2 Å²	145.2	94%	0.94	82%	0.817	S	S	*	*				-176.3	142	113.3	-100.1	172.4	-175.4	-159.1	1.9	112.6
291	R	29.8	Very low	30.6	Very low	249 Å²	249	141.7 Å²	141.7	94%	0.94	82%	0.815	S	S	*	*			trans	39.7	106.4	161.9	-73.4	-176.6	169.2	178.6	-3.9	119.3
292	A	27.1	Very low	29.8	Very low	98 Å²	98	140 Å²	140	81%	0.81	81%	0.811	S	S	*	*				-157	161.7	129.9	0	0	0	0	0	111.5
293	V	32	Very low	30.8	Very low	138 Å²	138	142.1 Å²	142.1	84%	0.836	81%	0.814	S	S	*	*			trans	-55	137.7	177.5	173	0	0	0	0	112.4
294	V	29	Very low	31.2	Very low	118 Å²	118	141.2 Å²	141.2	72%	0.715	82%	0.816	S	S	*	*			trans	-130.1	121.1	164.1	178	0	0	0	0	109.9	L296	V294-L296 HydrophobicContact CG1-CG 4.41Å
295	T	35	Very low	31.5	Very low	135 Å²	135	138.4 Å²	138.4	83%	0.828	82%	0.817	S	S	*	*			trans	-76	118.9	172	-35.3	0	0	0	0	109.4
296	L	28.3	Very low	31.8	Very low	151 Å²	151	138 Å²	138	79%	0.791	81%	0.813	S	S	*	*			trans	-110.7	129.2	172.8	-81	170.9	0	0	0	110.7	V294	V294-L296 HydrophobicContact CG1-CG 4.41Å
297	Q	33.8	Very low	32.1	Very low	190 Å²	190	139.2 Å²	139.2	89%	0.888	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-71.7	133.2	173.3	-66.1	-175.7	1.8	0	0	110.7
298	P	31.1	Very low	32.4	Very low	123 Å²	123	143.1 Å²	143.1	80%	0.799	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-69.7	155.8	166.6	-20	34.1	0	0	0	112.8
299	R	31.4	Very low	33.2	Very low	229 Å²	229	147.1 Å²	147.1	86%	0.864	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-64.5	159.4	177	-69.8	169.9	177.1	160.5	-2.8	112.4
300	P	36.6	Very low	34	Very low	123 Å²	123	151.3 Å²	151.3	80%	0.799	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-57.6	139.4	173.9	24.4	-35.2	0	0	0	111.8
301	P	36.8	Very low	35	Very low	126 Å²	126	146.5 Å²	146.5	82%	0.818	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-74.8	162.8	-178.2	31	-35.7	0	0	0	112.9
302	A	32.7	Very low	36.4	Very low	90 Å²	90	135.9 Å²	135.9	74%	0.744	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-65	166.7	-172.9	0	0	0	0	0	114.9	K304	A302-K304 PolarHBondContact O-N 3.2Å
303	S	45	Very low	38.3	Very low	119 Å²	119	138.6 Å²	138.6	83%	0.832	77%	0.767	S	S	*	*			trans	-52.2	99.2	174.6	52.6	0	0	0	0	112.9	G305	S303-G305 PolarHBondContact O-N 2.94Å
304	K	33.7	Very low	40.4	Very low	203 Å²	203	140 Å²	140	88%	0.883	76%	0.757	S	S	*	*			trans	-69.3	122	155.2	-75.6	-173.9	173.3	-176.5	0	107.4	A302 K306	A302-K304 PolarHBondContact O-N 3.2Å; K304-K306 PolarHBondContact O-N 2.82Å
305	G	33.8	Very low	42.8	Very low	67 Å²	67	137.1 Å²	137.1	69%	0.691	74%	0.738	S	S	*	*			trans	-54.5	123.1	176.5	0	0	0	0	0	109.7	S303 C307	S303-G305 PolarHBondContact O-N 2.94Å; G305-C307 PolarHBondContact O-N 2.87Å
306	K	31.5	Very low	45.2	Very low	162 Å²	162	137.9 Å²	137.9	70%	0.704	73%	0.725	S	S	*	*			trans	-70.2	85.7	175.3	-172.1	-171.3	-179.8	-166.1	0	107.7	K304 H308	K304-K306 PolarHBondContact O-N 2.82Å; K306-H308 PolarHBondContact NZ-NE2 3.14Å; K306-H308 PolarHBondContact O-N 2.94Å
307	C	34.5	Very low	47.8	Very low	119 Å²	119	130.8 Å²	130.8	80%	0.804	69%	0.688	S	S	*	*			trans	-61.5	94.7	159	-64.4	0	0	0	0	106	G305 M309	G305-C307 PolarHBondContact O-N 2.87Å; C307-M309 PolarHBondContact O-N 2.97Å
308	H	33.7	Very low	50.2	Low	160 Å²	160	125.3 Å²	125.3	74%	0.741	67%	0.668	S	S	*	*			trans	-57.4	104.3	147.9	-93.4	-82.6	0	0	0	105	K306 E310	K306-H308 PolarHBondContact NZ-NE2 3.14Å; K306-H308 PolarHBondContact O-N 2.94Å; H308-E310 HydrophobicContact CB-CG 4.39Å; H308-E310 PolarHBondContact O-N 3.35Å; H308-E310 VanDerWaalsContact O-N 3.16Å
309	M	43.4	Very low	52.6	Low	167 Å²	167	122.5 Å²	122.5	82%	0.823	64%	0.642	S	S	*	*			trans	-64.8	102	141	-81.2	-175.8	152.4	0	0	104.3	C307 D311	C307-M309 PolarHBondContact O-N 2.97Å; M309-D311 PolarHBondContact O-N 3.44Å; M309-D311 VanDerWaalsContact O-N 3.09Å
310	E	45.1	Very low	54.9	Low	161 Å²	161	113.1 Å²	113.1	75%	0.752	61%	0.61	S	S	*	*			trans	-59	111.5	160.3	-73.3	166.2	122.6	0	0	105	H308 G312	H308-E310 HydrophobicContact CB-CG 4.39Å; H308-E310 PolarHBondContact O-N 3.35Å; H308-E310 VanDerWaalsContact O-N 3.16Å; E310-G312 PolarHBondContact O-N 2.82Å
311	D	50.8	Low	57	Low	148 Å²	148	112.8 Å²	112.8	79%	0.791	60%	0.598	S	S	*	*			trans	-78.3	58.3	-178.9	-155.9	13.2	0	0	0	108.2	M309 E313	M309-D311 PolarHBondContact O-N 3.44Å; M309-D311 VanDerWaalsContact O-N 3.09Å; D311-E313 PolarHBondContact O-N 3.48Å
312	G	58.8	Low	59.1	Low	27 Å²	27	111.3 Å²	111.3	28%	0.278	58%	0.583	S	S	.	*			trans	-58.1	128.3	-176.1	0	0	0	0	0	109.2	E310 R314	E310-G312 PolarHBondContact O-N 2.82Å; G312-R314 PolarHBondContact O-N 3.13Å
313	E	67.1	Low	61.4	Low	155 Å²	155	111.9 Å²	111.9	72%	0.724	57%	0.572	S	S	*	*			trans	-56.1	106.9	-167.1	-62.3	-175.1	155.2	0	0	110.9	D311 L315	D311-E313 PolarHBondContact O-N 3.48Å; E313-L315 PolarHBondContact O-N 3.41Å
314	R	75.4	Confident	63.3	Low	167 Å²	167	106.9 Å²	106.9	63%	0.63	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	93.1	178.8	-72.7	-179.4	-176.1	177.9	6.1	108.8	G312 M323 N325	G312-R314 PolarHBondContact O-N 3.13Å; R314-M323 HydrophobicContact CB-CE 4.03Å; R314-M323 WeakPolarHBondContact O-CE 3.49Å; R314-N325 WeakPolarHBondContact CG-OD1 3.41Å
315	L	81.3	Confident	65.8	Low	58 Å²	58	99.5 Å²	99.5	30%	0.304	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	148	179.7	-63.4	170.5	0	0	0	110.1	E313 M323 F324 A424	E313-L315 PolarHBondContact O-N 3.41Å; L315-M323 CarbonylContact O-C 3.57Å; L315-M323 WeakPolarHBondContact O-CA 3.23Å; L315-F324 HydrophobicContact CB-CD1 4.31Å; L315-F324 HydrophobicContact CB-CE1 3.72Å; L315-F324 HydrophobicContact CB-CZ 3.88Å; L315-F324 HydrophobicContact CD1-CZ 4.42Å; L315-F324 PolarHBondContact N-O 3.38Å; L315-F324 WeakPolarHBondContact O-CD1 3.47Å; L315-F324 PolarHBondContact O-N 3.12Å; L315-A424 HydrophobicContact CB-CB 3.86Å; L315-A424 HydrophobicContact CD1-CB 3.86Å; L315-A424 HydrophobicContact CD2-CB 4.3Å; L315-A424 HydrophobicContact CG-CB 4.22Å
316	R	83.4	Confident	68	Low	150 Å²	150	102.8 Å²	102.8	57%	0.566	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	129.5	173.4	-170.7	179	-66.8	-86	5.5	110.2	Q321 M323	R316-Q321 VanDerWaalsContact CG-O 3.28Å; R316-Q321 WeakPolarHBondContact CG-O 3.29Å; R316-Q321 PolarHBondContact NH1-O 3.26Å; R316-M323 HydrophobicContact CB-SD 4.02Å; R316-M323 HydrophobicContact CG-SD 4.25Å
317	C	84.4	Confident	70.2	Confident	2 Å²	2	102.9 Å²	102.9	1%	0.014	51%	0.505	C	S	.	.	B	Isolated β-bridge	trans	-71.9	131.2	177.3	-170.6	0	0	0	0	111.8	Y319 C320 Q321 D322 F324 H422 R423	C317-Y319 VanDerWaalsContact C-N 3.25Å; C317-Y319 PolarHBondContact O-N 3.05Å; C317-C320 VanDerWaalsContact CB-SG 3.55Å; C317-C320 VanDerWaalsContact SG-SG 3.6Å; C317-Q321 WeakPolarHBondContact O-CA 3.46Å; C317-Q321 PolarHBondContact O-N 3.06Å; C317-D322 WeakPolarHBondContact CB-O 3.12Å; C317-D322 PolarHBondContact N-O 2.95Å; C317-F324 HydrophobicContact CB-CD1 3.96Å; C317-F324 HydrophobicContact CB-CE1 4.14Å; C317-H422 HydrophobicContact CB-CB 4.14Å; C317-R423 CarbonylContact C-O 3.59Å; C317-R423 WeakPolarHBondContact CA-O 2.96Å
318	V	83.2	Confident	72.3	Confident	76 Å²	76	102 Å²	102	46%	0.461	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-31.5	176	-179.2	0	0	0	0	112.1	R423 V425	V318-R423 WeakPolarHBondContact CG2-O 3.36Å; V318-R423 PolarHBondContact N-O 2.7Å; V318-V425 HydrophobicContact CG2-CG2 3.68Å
319	Y	81.4	Confident	74.7	Confident	64 Å²	64	95.3 Å²	95.3	25%	0.251	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-59.8	-171.6	-53.3	-60.7	0	0	0	112.6	C317 A337 P338 R423	C317-Y319 VanDerWaalsContact C-N 3.25Å; C317-Y319 PolarHBondContact O-N 3.05Å; Y319-A337 HydrophobicContact CD2-CB 3.48Å; Y319-A337 VanDerWaalsContact CD2-CB 3.48Å; Y319-A337 HydrophobicContact CE2-CB 3.93Å; Y319-A337 HydrophobicContact CG-CB 4.04Å; Y319-P338 HydrophobicContact CE1-CG 4.15Å; Y319-R423 HydrophobicContact CD2-CB 4.34Å; Y319-R423 HydrophobicContact CE2-CB 3.58Å
320	C	80.9	Confident	76.4	Confident	31 Å²	31	88.2 Å²	88.2	21%	0.209	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-6.5	-178.3	58.6	0	0	0	0	114.9	C317 D322 C334 E336	C317-C320 VanDerWaalsContact CB-SG 3.55Å; C317-C320 VanDerWaalsContact SG-SG 3.6Å; C320-D322 WeakPolarHBondContact CB-OD2 3.24Å; C320-D322 PolarHBondContact O-N 3.03Å; C320-D322 VanDerWaalsContact O-N 3.08Å; C320-D322 PolarHBondContact SG-OD2 3.21Å; C320-C334 PolarHBondContact SG-SG 3.02Å; C320-E336 HydrophobicContact CB-CB 4Å; C320-E336 HydrophobicContact CB-CG 3.85Å
321	Q	80.3	Confident	78.1	Confident	117 Å²	117	87 Å²	87	55%	0.547	42%	0.421	S	S	.	.			trans	64.2	-0.3	-175.7	-51.6	-173.5	9.3	0	0	116.4	R316 C317	R316-Q321 VanDerWaalsContact CG-O 3.28Å; R316-Q321 WeakPolarHBondContact CG-O 3.29Å; R316-Q321 PolarHBondContact NH1-O 3.26Å; C317-Q321 WeakPolarHBondContact O-CA 3.46Å; C317-Q321 PolarHBondContact O-N 3.06Å
322	D	80.1	Confident	79.4	Confident	94 Å²	94	81 Å²	81	50%	0.503	39%	0.394	S	S	.	.			trans	-63.6	156.5	172.2	-61.5	-51.8	0	0	0	113	C317 C320	C317-D322 WeakPolarHBondContact CB-O 3.12Å; C317-D322 PolarHBondContact N-O 2.95Å; C320-D322 WeakPolarHBondContact CB-OD2 3.24Å; C320-D322 PolarHBondContact O-N 3.03Å; C320-D322 VanDerWaalsContact O-N 3.08Å; C320-D322 PolarHBondContact SG-OD2 3.21Å
323	M	82.6	Confident	80.5	Confident	102 Å²	102	84.1 Å²	84.1	50%	0.502	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	130.7	170.3	-54.8	-59.2	-67.2	0	0	109.6	R314 L315 R316	R314-M323 HydrophobicContact CB-CE 4.03Å; R314-M323 WeakPolarHBondContact O-CE 3.49Å; L315-M323 CarbonylContact O-C 3.57Å; L315-M323 WeakPolarHBondContact O-CA 3.23Å; R316-M323 HydrophobicContact CB-SD 4.02Å; R316-M323 HydrophobicContact CG-SD 4.25Å
324	F	84.6	Confident	81.1	Confident	14 Å²	14	76.9 Å²	76.9	6%	0.061	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	147.7	180	75.7	-77.9	0	0	0	111.4	L315 C317 N329 H422 A424	L315-F324 HydrophobicContact CB-CD1 4.31Å; L315-F324 HydrophobicContact CB-CE1 3.72Å; L315-F324 HydrophobicContact CB-CZ 3.88Å; L315-F324 HydrophobicContact CD1-CZ 4.42Å; L315-F324 PolarHBondContact N-O 3.38Å; L315-F324 WeakPolarHBondContact O-CD1 3.47Å; L315-F324 PolarHBondContact O-N 3.12Å; C317-F324 HydrophobicContact CB-CD1 3.96Å; C317-F324 HydrophobicContact CB-CE1 4.14Å; F324-N329 HydrophobicContact CD2-CB 4.19Å; F324-N329 HydrophobicContact CE2-CB 4.35Å; F324-H422 HydrophobicContact CB-CB 4.15Å; F324-H422 HydrophobicContact CD1-CB 3.54Å; F324-H422 HydrophobicContact CD2-CB 3.46Å; F324-H422 VanDerWaalsContact CD2-CB 3.46Å; F324-H422 HydrophobicContact CE1-CB 3.71Å; F324-H422 HydrophobicContact CE2-CB 3.64Å; F324-H422 HydrophobicContact CG-CB 3.42Å; F324-H422 VanDerWaalsContact CG-CB 3.42Å; F324-H422 AromaticContact CG-CG 3.71Å; F324-H422 HydrophobicContact CZ-CB 3.77Å; F324-A424 HydrophobicContact CE1-CB 4.45Å; F324-A424 HydrophobicContact CZ-CB 4.23Å
325	N	84.8	Confident	81	Confident	48 Å²	48	77.9 Å²	77.9	26%	0.257	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	143.1	168.7	-55.7	-26.1	0	0	0	108.8	R314 E327 D328	R314-N325 WeakPolarHBondContact CG-OD1 3.41Å; N325-E327 VanDerWaalsContact C-N 3.25Å; N325-E327 PolarHBondContact O-N 3.32Å; N325-D328 HydrophobicContact CB-CB 4.26Å; N325-D328 WeakPolarHBondContact CB-OD2 3.38Å; N325-D328 PolarHBondContact ND2-OD2 3.25Å; N325-D328 PolarHBondContact O-N 2.91Å
326	H	80.3	Confident	80.7	Confident	137 Å²	137	80.8 Å²	80.8	63%	0.634	39%	0.392	S	S	*	.	S	Bend	trans	-62	-35	176.7	-174.3	-96.8	0	0	0	112.6	N329	H326-N329 WeakPolarHBondContact O-CB 3.49Å; H326-N329 PolarHBondContact O-N 3.02Å
327	E	78.4	Confident	80.5	Confident	163 Å²	163	74.1 Å²	74.1	76%	0.762	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-38.7	-177	-63.7	171.3	-170.1	0	0	112.8	N325 N329	N325-E327 VanDerWaalsContact C-N 3.25Å; N325-E327 PolarHBondContact O-N 3.32Å; E327-N329 PolarHBondContact O-N 2.71Å
328	D	79	Confident	80.1	Confident	102 Å²	102	78.3 Å²	78.3	55%	0.545	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-1.4	176.4	-69.4	-62	0	0	0	113.8	N325 G330	N325-D328 HydrophobicContact CB-CB 4.26Å; N325-D328 WeakPolarHBondContact CB-OD2 3.38Å; N325-D328 PolarHBondContact ND2-OD2 3.25Å; N325-D328 PolarHBondContact O-N 2.91Å; D328-G330 PolarHBondContact O-N 3.48Å
329	N	83.6	Confident	80	Confident	18 Å²	18	75.3 Å²	75.3	10%	0.096	38%	0.377	C	S	.	.			trans	-77.3	63.5	-170.2	-167	15.2	0	0	0	113.4	F324 H326 E327 K421 H422	F324-N329 HydrophobicContact CD2-CB 4.19Å; F324-N329 HydrophobicContact CE2-CB 4.35Å; H326-N329 WeakPolarHBondContact O-CB 3.49Å; H326-N329 PolarHBondContact O-N 3.02Å; E327-N329 PolarHBondContact O-N 2.71Å; N329-K421 VanDerWaalsContact O-CE 3.24Å; N329-K421 WeakPolarHBondContact O-CE 3.37Å; N329-K421 PolarHBondContact O-NZ 3.18Å; N329-H422 PolarHBondContact ND2-O 3.43Å; N329-H422 PolarHBondContact OD1-N 2.75Å
330	G	79.5	Confident	79.9	Confident	19 Å²	19	77 Å²	77	20%	0.196	40%	0.396	C	S	.	.			trans	-65.5	163.4	172.9	0	0	0	0	0	113.5	D328 Q333	D328-G330 PolarHBondContact O-N 3.48Å; G330-Q333 WeakPolarHBondContact O-CB 3.45Å
331	R	79.6	Confident	80	Confident	134 Å²	134	78.9 Å²	78.9	51%	0.506	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	138.6	169.1	-57.4	176.1	178.7	-95.1	4.4	108.9	Q333 C417 C418	R331-Q333 VanDerWaalsContact C-N 3.34Å; R331-C417 WeakPolarHBondContact CD-O 3.04Å; R331-C418 CarbonylContact C-O 3.53Å; R331-C418 WeakPolarHBondContact CB-O 3.32Å
332	G	79.3	Confident	80.2	Confident	23 Å²	23	77.7 Å²	77.7	24%	0.237	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	-1.1	-176.9	0	0	0	0	0	115	C418 G419 G420	G332-C418 PolarHBondContact N-O 3.13Å; G332-G419 VanDerWaalsContact N-C 3.32Å; G332-G419 PolarHBondContact N-O 3.01Å; G332-G420 CarbonylContact C-O 3.52Å; G332-G420 WeakPolarHBondContact CA-O 3.39Å; G332-G420 PolarHBondContact N-O 2.86Å
333	Q	80.6	Confident	80.4	Confident	92 Å²	92	75.7 Å²	75.7	43%	0.43	39%	0.389	S	S	.	.	S	Bend	trans	-74.3	-30	-177.1	-159.5	68.5	17	0	0	112.6	G330 R331 G420 H422	G330-Q333 WeakPolarHBondContact O-CB 3.45Å; R331-Q333 VanDerWaalsContact C-N 3.34Å; Q333-G420 PolarHBondContact N-O 2.95Å; Q333-H422 WeakPolarHBondContact CG-NE2 3.44Å; Q333-H422 PolarHBondContact O-NE2 3.2Å
334	C	79.8	Confident	80.7	Confident	3 Å²	3	74 Å²	74	2%	0.02	39%	0.387	C	S	.	.			trans	-111.7	117.4	177.7	-172	0	0	0	0	111.2	C320 A337 G420 H422	C320-C334 PolarHBondContact SG-SG 3.02Å; C334-A337 HydrophobicContact CB-CB 3.79Å; C334-G420 PolarHBondContact N-O 3.42Å; C334-H422 HydrophobicContact CB-CB 4.44Å
335	Q	74.8	Confident	80.9	Confident	189 Å²	189	74.3 Å²	74.3	88%	0.883	39%	0.389	S	S	*	.	S	Bend	trans	-76.1	-34.8	-179.1	-59	-175.9	26.3	0	0	112.8	A337	Q335-A337 VanDerWaalsContact C-N 3.26Å; Q335-A337 PolarHBondContact O-N 3.04Å
336	E	75.1	Confident	81	Confident	119 Å²	119	73 Å²	73	56%	0.556	38%	0.38	S	S	*	.	S	Bend	trans	-77	-9.4	179	-65.2	-67.4	100.9	0	0	113.5	C320	C320-E336 HydrophobicContact CB-CB 4Å; C320-E336 HydrophobicContact CB-CG 3.85Å
337	A	78.6	Confident	81.4	Confident	9 Å²	9	71.6 Å²	71.6	7%	0.074	37%	0.369	C	S	.	.	S	Bend	trans	-79.9	135.7	-177.7	0	0	0	0	0	111.5	Y319 C334 Q335 D339 K421	Y319-A337 HydrophobicContact CD2-CB 3.48Å; Y319-A337 VanDerWaalsContact CD2-CB 3.48Å; Y319-A337 HydrophobicContact CE2-CB 3.93Å; Y319-A337 HydrophobicContact CG-CB 4.04Å; C334-A337 HydrophobicContact CB-CB 3.79Å; Q335-A337 VanDerWaalsContact C-N 3.26Å; Q335-A337 PolarHBondContact O-N 3.04Å; A337-D339 PolarHBondContact O-N 3.49Å; A337-D339 VanDerWaalsContact O-N 3.09Å; A337-K421 WeakPolarHBondContact CB-O 3.19Å
338	P	74.8	Confident	81.8	Confident	90 Å²	90	68 Å²	68	58%	0.584	36%	0.358	S	S	*	.			trans	-66.6	111.2	-174.8	26.4	-34.5	0	0	0	111.8	Y319 P340	Y319-P338 HydrophobicContact CE1-CG 4.15Å; P338-P340 WeakPolarHBondContact O-CD 3.46Å
339	D	81.3	Confident	82.4	Confident	13 Å²	13	63.1 Å²	63.1	7%	0.07	33%	0.332	C	S	.	.			trans	-90.3	113.9	177	-175.6	-6.5	0	0	0	111.4	A337 I341 Q342 T343 H409 G419	A337-D339 PolarHBondContact O-N 3.49Å; A337-D339 VanDerWaalsContact O-N 3.09Å; D339-I341 PolarHBondContact O-N 2.62Å; D339-I341 WeakPolarHBondContact OD1-CB 3.45Å; D339-I341 PolarHBondContact OD1-N 2.79Å; D339-Q342 HydrophobicContact CB-CB 4Å; D339-Q342 PolarHBondContact O-N 3.28Å; D339-Q342 VanDerWaalsContact O-N 3.15Å; D339-T343 PolarHBondContact O-N 2.74Å; D339-T343 VanDerWaalsContact O-N 3.16Å; D339-T343 PolarHBondContact O-OG1 2.74Å; D339-H409 IonicContact OD2-CD2 2.89Å; D339-H409 IonicContact OD2-CE1 3.12Å; D339-H409 IonicContact OD2-NE2 3.32Å; D339-H409 PolarHBondContact OD2-NE2 2.91Å; D339-G419 WeakPolarHBondContact OD2-CA 3.44Å; D339-G419 PolarHBondContact OD2-N 3.16Å; D339-G419 VanDerWaalsContact OD2-N 3.15Å
340	P	80.6	Confident	82.7	Confident	100 Å²	100	66.5 Å²	66.5	65%	0.649	35%	0.346	S	S	*	.	H	α-helix	trans	-62.7	-24	178.2	27.6	-35.8	0	0	0	113.3	P338 C344	P338-P340 WeakPolarHBondContact O-CD 3.46Å; P340-C344 VanDerWaalsContact O-CB 3.3Å; P340-C344 WeakPolarHBondContact O-CB 3.45Å; P340-C344 PolarHBondContact O-N 3.43Å
341	I	83.3	Confident	83.1	Confident	70 Å²	70	66 Å²	66	36%	0.359	34%	0.339	S	S	.	.	H	α-helix	trans	-74.2	-38.9	177.1	-65.8	164.6	0	0	0	110	D339 C344 I345 C418	D339-I341 PolarHBondContact O-N 2.62Å; D339-I341 WeakPolarHBondContact OD1-CB 3.45Å; D339-I341 PolarHBondContact OD1-N 2.79Å; I341-C344 WeakPolarHBondContact O-CB 3.29Å; I341-C344 PolarHBondContact O-N 2.84Å; I341-I345 HydrophobicContact CG2-CD1 4Å; I341-I345 VanDerWaalsContact O-CG1 3.27Å; I341-I345 WeakPolarHBondContact O-CG1 3.27Å; I341-I345 PolarHBondContact O-N 3.06Å; I341-C418 HydrophobicContact CD1-CB 3.44Å; I341-C418 VanDerWaalsContact CD1-CB 3.44Å
342	Q	83.8	Confident	83.4	Confident	93 Å²	93	65.5 Å²	65.5	44%	0.435	34%	0.337	S	S	.	.	H	α-helix	trans	-63.1	-42.3	172.9	-175.6	168.4	-59.2	0	0	111.6	D339 I345 R346	D339-Q342 HydrophobicContact CB-CB 4Å; D339-Q342 PolarHBondContact O-N 3.28Å; D339-Q342 VanDerWaalsContact O-N 3.15Å; Q342-I345 PolarHBondContact O-N 3.09Å; Q342-R346 PolarHBondContact O-N 3.45Å
343	T	85	Confident	84	Confident	51 Å²	51	65.6 Å²	65.6	31%	0.313	33%	0.334	S	S	.	.	H	α-helix	trans	-63.6	-40.6	173.4	-52.3	0	0	0	0	112	D339 R346 R347	D339-T343 PolarHBondContact O-N 2.74Å; D339-T343 VanDerWaalsContact O-N 3.16Å; D339-T343 PolarHBondContact O-OG1 2.74Å; T343-R346 PolarHBondContact O-N 3.19Å; T343-R347 WeakPolarHBondContact O-CG 3.34Å; T343-R347 PolarHBondContact O-N 2.82Å
344	C	87.5	Confident	84.5	Confident	68 Å²	68	61.2 Å²	61.2	46%	0.459	31%	0.313	S	S	.	.	H	α-helix	trans	-61.2	-46.5	175.2	-172.4	0	0	0	0	111.5	P340 I341 R346 R347 V348	P340-C344 VanDerWaalsContact O-CB 3.3Å; P340-C344 WeakPolarHBondContact O-CB 3.45Å; P340-C344 PolarHBondContact O-N 3.43Å; I341-C344 WeakPolarHBondContact O-CB 3.29Å; I341-C344 PolarHBondContact O-N 2.84Å; C344-R346 PolarHBondContact O-N 3.13Å; C344-R347 PolarHBondContact O-N 3.37Å; C344-R347 VanDerWaalsContact O-N 3.16Å; C344-V348 WeakPolarHBondContact O-CG2 3.3Å; C344-V348 PolarHBondContact O-N 2.85Å
345	I	89	Confident	84.8	Confident	19 Å²	19	61 Å²	61	10%	0.097	31%	0.312	C	S	.	.	H	α-helix	trans	-60.6	-46.1	177.6	-69	165.4	0	0	0	111.1	I341 Q342 R347 V348 S349 Y402 L405 H409	I341-I345 HydrophobicContact CG2-CD1 4Å; I341-I345 VanDerWaalsContact O-CG1 3.27Å; I341-I345 WeakPolarHBondContact O-CG1 3.27Å; I341-I345 PolarHBondContact O-N 3.06Å; Q342-I345 PolarHBondContact O-N 3.09Å; I345-R347 VanDerWaalsContact C-N 3.29Å; I345-R347 PolarHBondContact O-N 3.1Å; I345-V348 PolarHBondContact O-N 2.81Å; I345-S349 WeakPolarHBondContact O-CB 3.16Å; I345-S349 PolarHBondContact O-N 3.39Å; I345-S349 PolarHBondContact O-OG 2.68Å; I345-Y402 HydrophobicContact CG2-CD2 3.79Å; I345-Y402 HydrophobicContact CG2-CE2 3.99Å; I345-L405 HydrophobicContact CD1-CB 4.38Å; I345-L405 HydrophobicContact CG1-CB 4.14Å; I345-L405 HydrophobicContact CG2-CB 3.76Å; I345-L405 HydrophobicContact CG2-CD1 4.41Å; I345-H409 HydrophobicContact CD1-CB 3.65Å
346	R	88.2	Confident	85.5	Confident	21 Å²	21	53.3 Å²	53.3	8%	0.079	28%	0.279	C	S	.	.	H	α-helix	trans	-58.3	-37.4	175.3	-81.6	175.3	146.9	-84	-8.9	112.6	E229 Q342 T343 C344 F350 M351 D355 Y402	E229-R346 WeakPolarHBondContact OE1-CD 3.3Å; E229-R346 IonicContact OE1-CZ 2.68Å; E229-R346 IonicContact OE1-NE 3.24Å; E229-R346 IonicContact OE1-NH1 3.64Å; E229-R346 PolarHBondContact OE1-NH1 3.01Å; E229-R346 IonicContact OE2-CZ 2.79Å; E229-R346 IonicContact OE2-NE 2.92Å; E229-R346 IonicContact OE2-NH1 3.31Å; Q342-R346 PolarHBondContact O-N 3.45Å; T343-R346 PolarHBondContact O-N 3.19Å; C344-R346 PolarHBondContact O-N 3.13Å; R346-F350 PolarHBondContact O-N 3.24Å; R346-M351 HydrophobicContact CB-CB 4.37Å; R346-M351 HydrophobicContact CG-CB 4.35Å; R346-M351 PolarHBondContact O-N 3.26Å; R346-D355 IonicContact CZ-OD2 3.79Å; R346-D355 IonicContact NH1-OD2 2.81Å; R346-D355 PolarHBondContact NH1-OD2 2.65Å; R346-D355 IonicContact NH2-OD2 3.79Å; R346-Y402 HydrophobicContact CG-CE2 4.29Å
347	R	86.9	Confident	86.3	Confident	107 Å²	107	49.9 Å²	49.9	40%	0.404	26%	0.264	S	S	.	.	H	α-helix	trans	-71.1	-53.9	175.5	-70.9	177.2	-177.3	-158.5	-2.7	112.6	L225 T343 C344 I345 S349 F350	L225-R347 PolarHBondContact O-NH2 3.29Å; T343-R347 WeakPolarHBondContact O-CG 3.34Å; T343-R347 PolarHBondContact O-N 2.82Å; C344-R347 PolarHBondContact O-N 3.37Å; C344-R347 VanDerWaalsContact O-N 3.16Å; I345-R347 VanDerWaalsContact C-N 3.29Å; I345-R347 PolarHBondContact O-N 3.1Å; R347-S349 VanDerWaalsContact C-N 3.28Å; R347-S349 PolarHBondContact O-N 3.07Å; R347-F350 PolarHBondContact O-N 2.93Å
348	V	88.5	Confident	86.8	Confident	87 Å²	87	49.5 Å²	49.5	53%	0.527	26%	0.261	S	S	.	.	H	α-helix	trans	-64	-31.9	-175.7	172.3	0	0	0	0	112.4	C344 I345 L405	C344-V348 WeakPolarHBondContact O-CG2 3.3Å; C344-V348 PolarHBondContact O-N 2.85Å; I345-V348 PolarHBondContact O-N 2.81Å; V348-L405 HydrophobicContact CG1-CD1 4.39Å
349	S	90.3	Very high	87.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	2.8	175.3	62.6	0	0	0	0	114.9	I345 R347 M351 C398 M399 Y402	I345-S349 WeakPolarHBondContact O-CB 3.16Å; I345-S349 PolarHBondContact O-N 3.39Å; I345-S349 PolarHBondContact O-OG 2.68Å; R347-S349 VanDerWaalsContact C-N 3.28Å; R347-S349 PolarHBondContact O-N 3.07Å; S349-M351 PolarHBondContact O-N 3.29Å; S349-C398 WeakPolarHBondContact CA-O 3.27Å; S349-C398 CarbonylContact O-C 3.4Å; S349-M399 VanDerWaalsContact O-CA 3.25Å; S349-M399 WeakPolarHBondContact O-CA 3.4Å; S349-M399 PolarHBondContact O-N 2.77Å; S349-Y402 VanDerWaalsContact OG-CD2 3.29Å; S349-Y402 WeakPolarHBondContact OG-CD2 3.25Å
350	F	89.6	Confident	87.6	Confident	89 Å²	89	56 Å²	56	39%	0.39	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	31.1	-178	-71.5	-112.8	0	0	0	114.1	R346 R347 W352 C353 C398	R346-F350 PolarHBondContact O-N 3.24Å; R347-F350 PolarHBondContact O-N 2.93Å; F350-W352 AromaticContact CD1-CE2 3.81Å; F350-W352 AromaticContact CD1-CZ2 3.72Å; F350-W352 HydrophobicContact CD1-CZ2 3.72Å; F350-W352 AromaticContact CD1-NE1 3.44Å; F350-W352 HydrophobicContact CE1-CZ2 4.07Å; F350-W352 AromaticContact CG-NE1 3.82Å; F350-W352 PolarHBondContact O-N 3.13Å; F350-W352 VanDerWaalsContact O-N 3.09Å; F350-C353 VanDerWaalsContact O-CB 3.28Å; F350-C353 WeakPolarHBondContact O-CB 3.39Å; F350-C353 PolarHBondContact O-N 3.14Å; F350-C398 HydrophobicContact CD2-CB 3.93Å; F350-C398 WeakPolarHBondContact CD2-SG 3.47Å; F350-C398 VanDerWaalsContact CG-SG 3.58Å
351	M	88.4	Confident	87.8	Confident	9 Å²	9	55.3 Å²	55.3	4%	0.044	28%	0.276	C	S	.	.	H	α-helix	trans	-61.5	-22.3	179.7	-161.6	56.6	35.6	0	0	113	R346 S349 C353 A354 D355 P372 M399 Y402	R346-M351 HydrophobicContact CB-CB 4.37Å; R346-M351 HydrophobicContact CG-CB 4.35Å; R346-M351 PolarHBondContact O-N 3.26Å; S349-M351 PolarHBondContact O-N 3.29Å; M351-C353 PolarHBondContact O-N 2.97Å; M351-A354 WeakPolarHBondContact O-CA 3.46Å; M351-A354 WeakPolarHBondContact O-CB 3.37Å; M351-A354 PolarHBondContact O-N 3.33Å; M351-A354 HydrophobicContact SD-CB 3.87Å; M351-D355 PolarHBondContact O-N 3.37Å; M351-P372 HydrophobicContact SD-CB 4.1Å; M351-M399 HydrophobicContact CE-SD 3.97Å; M351-Y402 HydrophobicContact CE-CD1 3.81Å; M351-Y402 HydrophobicContact CE-CD2 3.78Å; M351-Y402 HydrophobicContact CE-CE1 4.38Å; M351-Y402 HydrophobicContact CE-CE2 4.32Å; M351-Y402 HydrophobicContact CE-CG 3.46Å; M351-Y402 VanDerWaalsContact CE-CG 3.46Å; M351-Y402 HydrophobicContact CG-CE2 4.29Å
352	W	87.1	Confident	87.8	Confident	124 Å²	124	52.5 Å²	52.5	47%	0.47	26%	0.261	S	S	.	.	H	α-helix	trans	-58.7	-29.5	169.8	67.5	-91.2	0	0	0	113	F350 S356	F350-W352 AromaticContact CD1-CE2 3.81Å; F350-W352 AromaticContact CD1-CZ2 3.72Å; F350-W352 HydrophobicContact CD1-CZ2 3.72Å; F350-W352 AromaticContact CD1-NE1 3.44Å; F350-W352 HydrophobicContact CE1-CZ2 4.07Å; F350-W352 AromaticContact CG-NE1 3.82Å; F350-W352 PolarHBondContact O-N 3.13Å; F350-W352 VanDerWaalsContact O-N 3.09Å; W352-S356 VanDerWaalsContact O-CB 3.23Å; W352-S356 WeakPolarHBondContact O-CB 3.31Å; W352-S356 PolarHBondContact O-N 2.95Å; W352-S356 PolarHBondContact O-OG 2.98Å
353	C	89.9	Confident	87.9	Confident	24 Å²	24	50 Å²	50	16%	0.162	25%	0.254	C	S	.	.	H	α-helix	trans	-67.9	-37.5	172.8	-59.6	0	0	0	0	111.3	F350 M351 L357 L392	F350-C353 VanDerWaalsContact O-CB 3.28Å; F350-C353 WeakPolarHBondContact O-CB 3.39Å; F350-C353 PolarHBondContact O-N 3.14Å; M351-C353 PolarHBondContact O-N 2.97Å; C353-L357 VanDerWaalsContact O-CB 3.29Å; C353-L357 WeakPolarHBondContact O-CB 3.29Å; C353-L357 PolarHBondContact O-N 2.99Å; C353-L392 HydrophobicContact CB-CD1 4.35Å; C353-L392 HydrophobicContact CB-CD2 4.04Å
354	A	90.9	Very high	87.6	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.9	-53.7	174.8	0	0	0	0	0	110.7	M351 S356 L357 L358 P372 L389 L392 M399	M351-A354 WeakPolarHBondContact O-CA 3.46Å; M351-A354 WeakPolarHBondContact O-CB 3.37Å; M351-A354 PolarHBondContact O-N 3.33Å; M351-A354 HydrophobicContact SD-CB 3.87Å; A354-S356 PolarHBondContact O-N 2.77Å; A354-L357 PolarHBondContact O-N 3.3Å; A354-L357 VanDerWaalsContact O-N 3.08Å; A354-L358 WeakPolarHBondContact O-CG 3.33Å; A354-L358 PolarHBondContact O-N 2.84Å; A354-P372 HydrophobicContact CB-CB 4.08Å; A354-P372 HydrophobicContact CB-CG 4.1Å; A354-L389 HydrophobicContact CB-CD2 3.66Å; A354-L392 HydrophobicContact CB-CD2 4.14Å; A354-M399 HydrophobicContact CB-CE 4.04Å; A354-M399 HydrophobicContact CB-SD 3.87Å
355	D	88	Confident	86.8	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-55.1	-40.4	176.9	-72	-52.3	0	0	0	111.4	Y228 R346 M351 Y359 P372	Y228-D355 HydrophobicContact CD1-CB 4.36Å; Y228-D355 HydrophobicContact CE1-CB 3.85Å; R346-D355 IonicContact CZ-OD2 3.79Å; R346-D355 IonicContact NH1-OD2 2.81Å; R346-D355 PolarHBondContact NH1-OD2 2.65Å; R346-D355 IonicContact NH2-OD2 3.79Å; M351-D355 PolarHBondContact O-N 3.37Å; D355-Y359 WeakPolarHBondContact O-CB 3.35Å; D355-Y359 PolarHBondContact O-N 3.11Å; D355-P372 VanDerWaalsContact OD1-CD 3.3Å; D355-P372 WeakPolarHBondContact OD1-CD 3.05Å; D355-P372 WeakPolarHBondContact OD1-CG 3.5Å
356	S	88.8	Confident	86.1	Confident	27 Å²	27	58.6 Å²	58.6	19%	0.189	30%	0.296	C	S	.	.	H	α-helix	trans	-67.3	-40.8	175.6	-57.1	0	0	0	0	113.5	W352 A354 Y359 H360	W352-S356 VanDerWaalsContact O-CB 3.23Å; W352-S356 WeakPolarHBondContact O-CB 3.31Å; W352-S356 PolarHBondContact O-N 2.95Å; W352-S356 PolarHBondContact O-OG 2.98Å; A354-S356 PolarHBondContact O-N 2.77Å; S356-Y359 PolarHBondContact O-N 3.21Å; S356-H360 PolarHBondContact O-CD2 3.41Å; S356-H360 VanDerWaalsContact O-CD2 3.3Å; S356-H360 PolarHBondContact O-N 2.93Å
357	L	90.9	Very high	85.3	Confident	47 Å²	47	58.9 Å²	58.9	25%	0.246	31%	0.306	C	S	.	.	H	α-helix	trans	-65.6	-42.1	177.2	177.2	65.4	0	0	0	111.1	C353 A354 H360 C361 A388 L392	C353-L357 VanDerWaalsContact O-CB 3.29Å; C353-L357 WeakPolarHBondContact O-CB 3.29Å; C353-L357 PolarHBondContact O-N 2.99Å; A354-L357 PolarHBondContact O-N 3.3Å; A354-L357 VanDerWaalsContact O-N 3.08Å; L357-H360 PolarHBondContact O-N 3.3Å; L357-C361 HydrophobicContact CD1-CB 4.33Å; L357-C361 WeakPolarHBondContact O-CB 3.38Å; L357-C361 PolarHBondContact O-N 3.05Å; L357-A388 HydrophobicContact CD2-CB 4.23Å; L357-L392 HydrophobicContact CB-CD2 4.21Å; L357-L392 HydrophobicContact CD2-CB 3.86Å; L357-L392 HydrophobicContact CD2-CD2 3.79Å; L357-L392 HydrophobicContact CD2-CG 4.31Å
358	L	89.8	Confident	84.7	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-65.4	-43.4	176.4	-59.6	-165	0	0	0	110.9	A354 H360 M362 S363 Y369 S370 P372 R385 L389	A354-L358 WeakPolarHBondContact O-CG 3.33Å; A354-L358 PolarHBondContact O-N 2.84Å; L358-H360 PolarHBondContact O-N 2.87Å; L358-M362 HydrophobicContact CD2-CE 3.35Å; L358-M362 HydrophobicContact CD2-SD 4.19Å; L358-M362 CarbonylContact O-C 3.52Å; L358-M362 VanDerWaalsContact O-CA 3.3Å; L358-M362 WeakPolarHBondContact O-CA 3.39Å; L358-M362 PolarHBondContact O-N 3.06Å; L358-S363 PolarHBondContact O-N 3.38Å; L358-Y369 HydrophobicContact CB-CD2 3.46Å; L358-Y369 VanDerWaalsContact CB-CD2 3.46Å; L358-Y369 HydrophobicContact CB-CE2 3.96Å; L358-Y369 HydrophobicContact CB-CG 4.17Å; L358-Y369 HydrophobicContact CD1-CD2 4.22Å; L358-Y369 HydrophobicContact CG-CD2 4.48Å; L358-S370 WeakPolarHBondContact CD1-O 3.49Å; L358-P372 HydrophobicContact CD1-CB 4.19Å; L358-P372 HydrophobicContact CD1-CG 3.79Å; L358-R385 HydrophobicContact CD1-CG 4.41Å; L358-R385 HydrophobicContact CD2-CG 3.91Å; L358-L389 HydrophobicContact CD2-CD2 4.3Å; L358-L389 HydrophobicContact CD2-CG 4.38Å
359	Y	86.9	Confident	84.4	Confident	96 Å²	96	53.8 Å²	53.8	38%	0.376	28%	0.282	S	S	.	.	H	α-helix	trans	-62	-38.6	176.4	-178.2	-110	0	0	0	113.6	Y228 D355 S356 S363 Y369	Y228-Y359 WeakPolarHBondContact OH-CB 3.3Å; D355-Y359 WeakPolarHBondContact O-CB 3.35Å; D355-Y359 PolarHBondContact O-N 3.11Å; S356-Y359 PolarHBondContact O-N 3.21Å; Y359-S363 VanDerWaalsContact O-CB 3.28Å; Y359-S363 WeakPolarHBondContact O-CB 3.19Å; Y359-S363 PolarHBondContact O-OG 2.9Å; Y359-Y369 AromaticContact CD2-CD1 3.94Å; Y359-Y369 HydrophobicContact CD2-CD1 3.94Å; Y359-Y369 AromaticContact CD2-CE1 3.68Å; Y359-Y369 HydrophobicContact CD2-CE1 3.68Å; Y359-Y369 HydrophobicContact CG-CE1 4.17Å
360	H	86.5	Confident	84	Confident	144 Å²	144	55.9 Å²	55.9	67%	0.667	30%	0.296	S	S	*	.	H	α-helix	trans	-89.2	-24.2	-177.5	-75.5	-59	0	0	0	115.3	S356 L357 L358	S356-H360 PolarHBondContact O-CD2 3.41Å; S356-H360 VanDerWaalsContact O-CD2 3.3Å; S356-H360 PolarHBondContact O-N 2.93Å; L357-H360 PolarHBondContact O-N 3.3Å; L358-H360 PolarHBondContact O-N 2.87Å
361	C	85.4	Confident	83.7	Confident	84 Å²	84	54 Å²	54	57%	0.568	29%	0.29	S	S	*	.	H	α-helix	trans	-115.5	-14.9	-175	-60.5	0	0	0	0	114.5	L357	L357-C361 HydrophobicContact CD1-CB 4.33Å; L357-C361 WeakPolarHBondContact O-CB 3.38Å; L357-C361 PolarHBondContact O-N 3.05Å
362	M	83.4	Confident	83.5	Confident	12 Å²	12	53.9 Å²	53.9	6%	0.059	29%	0.29	C	S	.	.	S	Bend	trans	-141.2	16.2	-173.1	-77.5	174.1	-85.9	0	0	113.9	L358 L384 R385 A388	L358-M362 HydrophobicContact CD2-CE 3.35Å; L358-M362 HydrophobicContact CD2-SD 4.19Å; L358-M362 CarbonylContact O-C 3.52Å; L358-M362 VanDerWaalsContact O-CA 3.3Å; L358-M362 WeakPolarHBondContact O-CA 3.39Å; L358-M362 PolarHBondContact O-N 3.06Å; M362-L384 HydrophobicContact CG-CD2 4.27Å; M362-L384 HydrophobicContact SD-CD2 4.43Å; M362-L384 HydrophobicContact SD-CG 4.18Å; M362-R385 WeakPolarHBondContact SD-CA 3.25Å; M362-R385 HydrophobicContact SD-CB 3.7Å; M362-R385 HydrophobicContact SD-CG 4.27Å; M362-A388 HydrophobicContact CE-CB 3.6Å
363	S	84.6	Confident	83.3	Confident	41 Å²	41	50 Å²	50	29%	0.287	28%	0.281	S	S	.	.			trans	-72.9	139.3	166.1	65.6	0	0	0	0	111	L358 Y359 D368	L358-S363 PolarHBondContact O-N 3.38Å; Y359-S363 VanDerWaalsContact O-CB 3.28Å; Y359-S363 WeakPolarHBondContact O-CB 3.19Å; Y359-S363 PolarHBondContact O-OG 2.9Å; S363-D368 VanDerWaalsContact CA-O 3.26Å; S363-D368 WeakPolarHBondContact CA-O 3.26Å
364	D	79.1	Confident	82.9	Confident	52 Å²	52	50.3 Å²	50.3	28%	0.278	28%	0.284	S	S	.	.			trans	-67.9	162.5	160.9	-73.2	-24.8	0	0	0	109.9	E366 G367 D368 R381	D364-E366 PolarHBondContact O-N 2.81Å; D364-G367 WeakPolarHBondContact O-CA 3.31Å; D364-G367 PolarHBondContact O-N 3.01Å; D364-D368 PolarHBondContact N-O 3.39Å; D364-R381 IonicContact OD1-CZ 3.46Å; D364-R381 IonicContact OD1-NE 3.72Å; D364-R381 PolarHBondContact OD1-NE 2.87Å; D364-R381 IonicContact OD1-NH2 3.8Å; D364-R381 PolarHBondContact OD1-NH2 3.31Å
365	P	70.7	Confident	82.3	Confident	124 Å²	124	55 Å²	55	81%	0.805	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-18.1	-174.7	20.8	-32.4	0	0	0	115	G367	P365-G367 VanDerWaalsContact C-N 3.25Å; P365-G367 PolarHBondContact O-N 3.32Å
366	E	73.8	Confident	81.7	Confident	142 Å²	142	57.1 Å²	57.1	66%	0.664	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-4.5	171.4	-61.5	72.1	-157.1	0	0	113.9	D364	D364-E366 PolarHBondContact O-N 2.81Å
367	G	72.5	Confident	81	Confident	27 Å²	27	61.2 Å²	61.2	28%	0.278	35%	0.351	S	S	.	.	S	Bend	trans	83.9	6.8	-177.9	0	0	0	0	0	115.1	D364 P365	D364-G367 WeakPolarHBondContact O-CA 3.31Å; D364-G367 PolarHBondContact O-N 3.01Å; P365-G367 VanDerWaalsContact C-N 3.25Å; P365-G367 PolarHBondContact O-N 3.32Å
368	D	73.4	Confident	79.7	Confident	62 Å²	62	61.3 Å²	61.3	33%	0.332	36%	0.355	S	S	.	.			trans	-83.4	145.3	179.4	-166.2	21.8	0	0	0	111.7	R108 S363 D364	R108-D368 WeakPolarHBondContact CD-OD2 3.35Å; S363-D368 VanDerWaalsContact CA-O 3.26Å; S363-D368 WeakPolarHBondContact CA-O 3.26Å; D364-D368 PolarHBondContact N-O 3.39Å
369	Y	82.4	Confident	78.9	Confident	25 Å²	25	62.4 Å²	62.4	10%	0.098	36%	0.361	C	S	.	.			trans	-154.3	143.5	-179	62.1	-86.5	0	0	0	113	R232 L358 Y359	R232-Y369 PolarHBondContact NH1-OH 3.28Å; L358-Y369 HydrophobicContact CB-CD2 3.46Å; L358-Y369 VanDerWaalsContact CB-CD2 3.46Å; L358-Y369 HydrophobicContact CB-CE2 3.96Å; L358-Y369 HydrophobicContact CB-CG 4.17Å; L358-Y369 HydrophobicContact CD1-CD2 4.22Å; L358-Y369 HydrophobicContact CG-CD2 4.48Å; Y359-Y369 AromaticContact CD2-CD1 3.94Å; Y359-Y369 HydrophobicContact CD2-CD1 3.94Å; Y359-Y369 AromaticContact CD2-CE1 3.68Å; Y359-Y369 HydrophobicContact CD2-CE1 3.68Å; Y359-Y369 HydrophobicContact CG-CE1 4.17Å
370	S	81.6	Confident	78.3	Confident	43 Å²	43	65.9 Å²	65.9	30%	0.301	38%	0.381	S	S	.	.			trans	-52.5	141.6	174.1	-79.9	0	0	0	0	112.3	L358 D379 R385	L358-S370 WeakPolarHBondContact CD1-O 3.49Å; S370-D379 WeakPolarHBondContact CB-OD2 3.43Å; S370-D379 PolarHBondContact OG-OD2 3.48Å; S370-R385 VanDerWaalsContact CB-NE 3.34Å
371	D	83.7	Confident	78	Confident	50 Å²	50	63.7 Å²	63.7	27%	0.267	37%	0.367	S	S	.	.			trans	-61.8	141.7	174.8	-168.7	84.3	0	0	0	111.8	R232 C373 S374 R385	R232-D371 IonicContact CZ-OD1 3.79Å; R232-D371 IonicContact NE-OD1 3.63Å; R232-D371 IonicContact NH2-OD1 3.85Å; R232-D371 PolarHBondContact NH2-OD1 3.46Å; D371-C373 PolarHBondContact O-N 2.86Å; D371-C373 WeakPolarHBondContact OD2-CB 3.4Å; D371-C373 PolarHBondContact OD2-N 3.36Å; D371-S374 PolarHBondContact O-N 3.16Å; D371-S374 PolarHBondContact O-OG 3.47Å; D371-R385 PolarHBondContact O-NH1 3.38Å
372	P	83.9	Confident	77.9	Confident	7 Å²	7	62.1 Å²	62.1	5%	0.045	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-23.4	177.2	-26.2	33.3	0	0	0	114.4	M351 A354 D355 L358 L389	M351-P372 HydrophobicContact SD-CB 4.1Å; A354-P372 HydrophobicContact CB-CB 4.08Å; A354-P372 HydrophobicContact CB-CG 4.1Å; D355-P372 VanDerWaalsContact OD1-CD 3.3Å; D355-P372 WeakPolarHBondContact OD1-CD 3.05Å; D355-P372 WeakPolarHBondContact OD1-CG 3.5Å; L358-P372 HydrophobicContact CD1-CB 4.19Å; L358-P372 HydrophobicContact CD1-CG 3.79Å; P372-L389 HydrophobicContact CB-CD2 4.45Å; P372-L389 WeakPolarHBondContact O-CD1 3.44Å
373	C	82.5	Confident	78	Confident	42 Å²	42	66 Å²	66	28%	0.284	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	9.1	-178.5	-56.8	0	0	0	0	114.1	D371 C375 Y402 R406	D371-C373 PolarHBondContact O-N 2.86Å; D371-C373 WeakPolarHBondContact OD2-CB 3.4Å; D371-C373 PolarHBondContact OD2-N 3.36Å; C373-C375 PolarHBondContact O-N 3.02Å; C373-Y402 WeakPolarHBondContact SG-CE1 3.4Å; C373-R406 PolarHBondContact SG-NH1 2.79Å
374	S	82.2	Confident	78.2	Confident	31 Å²	31	68.7 Å²	68.7	22%	0.217	39%	0.388	C	S	.	.			trans	-77.5	121	-180	72.9	0	0	0	0	111.7	D371 D376 R385	D371-S374 PolarHBondContact O-N 3.16Å; D371-S374 PolarHBondContact O-OG 3.47Å; S374-D376 PolarHBondContact O-N 3.38Å; S374-R385 PolarHBondContact O-NH1 2.88Å; S374-R385 PolarHBondContact O-NH2 2.9Å; S374-R385 VanDerWaalsContact O-NH2 3.13Å; S374-R385 VanDerWaalsContact OG-CZ 3.24Å; S374-R385 PolarHBondContact OG-NH1 2.84Å; S374-R385 VanDerWaalsContact OG-NH1 3.11Å; S374-R385 PolarHBondContact OG-NH2 3.15Å; S374-R385 VanDerWaalsContact OG-NH2 3.1Å
375	C	78.4	Confident	78.7	Confident	97 Å²	97	66.3 Å²	66.3	66%	0.655	38%	0.376	S	S	*	.			trans	-90.4	24	173.6	-56	0	0	0	0	112.5	C373 T377	C373-C375 PolarHBondContact O-N 3.02Å; C375-T377 PolarHBondContact O-N 3.44Å; C375-T377 VanDerWaalsContact O-N 3.14Å
376	D	75.9	Confident	79.7	Confident	45 Å²	45	64.8 Å²	64.8	24%	0.241	35%	0.354	C	S	.	.			trans	-71.1	103.2	178.8	-169.8	-21.2	0	0	0	109.3	R112 S374 S378 D379 F382	R112-D376 IonicContact CZ-OD2 3.05Å; R112-D376 IonicContact NE-OD2 3.14Å; R112-D376 PolarHBondContact NE-OD2 3.06Å; R112-D376 VanDerWaalsContact NE-OD2 3.12Å; R112-D376 IonicContact NH2-OD2 2.7Å; S374-D376 PolarHBondContact O-N 3.38Å; D376-S378 PolarHBondContact O-N 3.24Å; D376-S378 PolarHBondContact OD1-N 2.87Å; D376-S378 PolarHBondContact OD1-OG 3.45Å; D376-D379 WeakPolarHBondContact O-CB 3.43Å; D376-D379 PolarHBondContact O-N 3.32Å; D376-F382 WeakPolarHBondContact O-CD2 3.45Å
377	T	73.1	Confident	80.6	Confident	114 Å²	114	62.4 Å²	62.4	70%	0.699	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	1.6	-179.6	50.8	0	0	0	0	113.7	C375 F382	C375-T377 PolarHBondContact O-N 3.44Å; C375-T377 VanDerWaalsContact O-N 3.14Å; T377-F382 HydrophobicContact CG2-CD2 4.44Å; T377-F382 HydrophobicContact CG2-CE1 4.3Å; T377-F382 HydrophobicContact CG2-CE2 3.83Å; T377-F382 HydrophobicContact CG2-CZ 3.77Å
378	S	63	Low	81.5	Confident	48 Å²	48	62.5 Å²	62.5	34%	0.336	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	17.1	169	43.1	0	0	0	0	113.8	R116 D376	R116-S378 PolarHBondContact NH1-OG 3.02Å; D376-S378 PolarHBondContact O-N 3.24Å; D376-S378 PolarHBondContact OD1-N 2.87Å; D376-S378 PolarHBondContact OD1-OG 3.45Å
379	D	74.6	Confident	82.3	Confident	24 Å²	24	60.2 Å²	60.2	13%	0.128	34%	0.335	C	S	.	.			trans	-83.8	112.7	163.8	176.3	-2	0	0	0	108.3	S370 D376 R381 F382 R385	S370-D379 WeakPolarHBondContact CB-OD2 3.43Å; S370-D379 PolarHBondContact OG-OD2 3.48Å; D376-D379 WeakPolarHBondContact O-CB 3.43Å; D376-D379 PolarHBondContact O-N 3.32Å; D379-R381 PolarHBondContact O-N 2.97Å; D379-R381 WeakPolarHBondContact OD1-CA 3.39Å; D379-R381 WeakPolarHBondContact OD1-CB 3.44Å; D379-R381 PolarHBondContact OD1-N 3.38Å; D379-F382 HydrophobicContact CB-CB 4.17Å; D379-F382 WeakPolarHBondContact O-CA 3.37Å; D379-F382 WeakPolarHBondContact O-CB 3.35Å; D379-F382 PolarHBondContact O-N 3.39Å; D379-R385 IonicContact OD2-CZ 2.79Å; D379-R385 IonicContact OD2-NE 2.69Å; D379-R385 PolarHBondContact OD2-NE 3.01Å; D379-R385 IonicContact OD2-NH2 3.48Å; D379-R385 PolarHBondContact OD2-NH2 3.26Å
380	E	73.1	Confident	82.8	Confident	169 Å²	169	62.9 Å²	62.9	79%	0.79	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-28.6	175.7	-74.1	-63.7	101.5	0	0	112.6	F382	E380-F382 VanDerWaalsContact C-N 3.34Å
381	R	79.9	Confident	83.3	Confident	98 Å²	98	62.4 Å²	62.4	37%	0.37	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	2.8	177.2	-51	-178.9	-172.4	-93.4	11.1	112.3	D364 D379 C383 L384 R385	D364-R381 IonicContact OD1-CZ 3.46Å; D364-R381 IonicContact OD1-NE 3.72Å; D364-R381 PolarHBondContact OD1-NE 2.87Å; D364-R381 IonicContact OD1-NH2 3.8Å; D364-R381 PolarHBondContact OD1-NH2 3.31Å; D379-R381 PolarHBondContact O-N 2.97Å; D379-R381 WeakPolarHBondContact OD1-CA 3.39Å; D379-R381 WeakPolarHBondContact OD1-CB 3.44Å; D379-R381 PolarHBondContact OD1-N 3.38Å; R381-C383 PolarHBondContact O-N 3.37Å; R381-L384 CarbonylContact O-C 3.56Å; R381-L384 WeakPolarHBondContact O-CB 3.17Å; R381-L384 PolarHBondContact O-N 3.4Å; R381-L384 VanDerWaalsContact O-N 3.08Å; R381-R385 WeakPolarHBondContact O-CB 3.22Å; R381-R385 PolarHBondContact O-N 3.16Å
382	F	84.1	Confident	83.7	Confident	52 Å²	52	61.1 Å²	61.1	23%	0.228	35%	0.348	C	S	.	.	H	α-helix	trans	-50.6	-52.2	-175.5	178.6	-91.6	0	0	0	112.9	D376 T377 D379 E380 L384 R385 W386	D376-F382 WeakPolarHBondContact O-CD2 3.45Å; T377-F382 HydrophobicContact CG2-CD2 4.44Å; T377-F382 HydrophobicContact CG2-CE1 4.3Å; T377-F382 HydrophobicContact CG2-CE2 3.83Å; T377-F382 HydrophobicContact CG2-CZ 3.77Å; D379-F382 HydrophobicContact CB-CB 4.17Å; D379-F382 WeakPolarHBondContact O-CA 3.37Å; D379-F382 WeakPolarHBondContact O-CB 3.35Å; D379-F382 PolarHBondContact O-N 3.39Å; E380-F382 VanDerWaalsContact C-N 3.34Å; F382-L384 VanDerWaalsContact C-N 3.34Å; F382-L384 PolarHBondContact O-N 2.98Å; F382-R385 PolarHBondContact O-N 2.99Å; F382-W386 AromaticContact CD1-CD1 3.92Å; F382-W386 AromaticContact CD2-CD1 3.59Å; F382-W386 AromaticContact CD2-NE1 3.53Å; F382-W386 AromaticContact CE1-CD1 3.76Å; F382-W386 AromaticContact CE2-CD1 3.46Å; F382-W386 VanDerWaalsContact CE2-CD1 3.46Å; F382-W386 AromaticContact CE2-NE1 3.13Å; F382-W386 AromaticContact CG-CD1 3.83Å; F382-W386 AromaticContact CZ-CD1 3.54Å; F382-W386 AromaticContact CZ-NE1 3.52Å; F382-W386 VanDerWaalsContact O-CD1 3.27Å; F382-W386 PolarHBondContact O-N 2.75Å
383	C	85.5	Confident	84.1	Confident	94 Å²	94	62.1 Å²	62.1	64%	0.635	36%	0.355	S	S	*	.	H	α-helix	trans	-63.9	-39.2	-179.6	-67.1	0	0	0	0	112	R381 T387	R381-C383 PolarHBondContact O-N 3.37Å; C383-T387 WeakPolarHBondContact O-CB 3.47Å; C383-T387 WeakPolarHBondContact O-CG2 3.39Å; C383-T387 PolarHBondContact O-N 2.9Å; C383-T387 PolarHBondContact O-OG1 3.16Å
384	L	88.4	Confident	84.5	Confident	96 Å²	96	66.7 Å²	66.7	50%	0.503	38%	0.376	S	S	.	.	H	α-helix	trans	-68	-41.1	176	-175.8	64.7	0	0	0	111.3	M362 R381 F382 T387 A388	M362-L384 HydrophobicContact CG-CD2 4.27Å; M362-L384 HydrophobicContact SD-CD2 4.43Å; M362-L384 HydrophobicContact SD-CG 4.18Å; R381-L384 CarbonylContact O-C 3.56Å; R381-L384 WeakPolarHBondContact O-CB 3.17Å; R381-L384 PolarHBondContact O-N 3.4Å; R381-L384 VanDerWaalsContact O-N 3.08Å; F382-L384 VanDerWaalsContact C-N 3.34Å; F382-L384 PolarHBondContact O-N 2.98Å; L384-T387 WeakPolarHBondContact CA-OG1 3.39Å; L384-T387 PolarHBondContact O-OG1 3.09Å; L384-T387 VanDerWaalsContact O-OG1 3.09Å; L384-A388 WeakPolarHBondContact O-CB 3.42Å; L384-A388 PolarHBondContact O-N 3.08Å
385	R	90.6	Very high	84.8	Confident	3 Å²	3	72.3 Å²	72.3	1%	0.011	40%	0.403	C	S	.	.	H	α-helix	trans	-64	-48.8	178.7	-177.7	161.8	58	81	1.6	111.8	L358 M362 S370 D371 S374 D379 R381 F382 A388 L389	L358-R385 HydrophobicContact CD1-CG 4.41Å; L358-R385 HydrophobicContact CD2-CG 3.91Å; M362-R385 WeakPolarHBondContact SD-CA 3.25Å; M362-R385 HydrophobicContact SD-CB 3.7Å; M362-R385 HydrophobicContact SD-CG 4.27Å; S370-R385 VanDerWaalsContact CB-NE 3.34Å; D371-R385 PolarHBondContact O-NH1 3.38Å; S374-R385 PolarHBondContact O-NH1 2.88Å; S374-R385 PolarHBondContact O-NH2 2.9Å; S374-R385 VanDerWaalsContact O-NH2 3.13Å; S374-R385 VanDerWaalsContact OG-CZ 3.24Å; S374-R385 PolarHBondContact OG-NH1 2.84Å; S374-R385 VanDerWaalsContact OG-NH1 3.11Å; S374-R385 PolarHBondContact OG-NH2 3.15Å; S374-R385 VanDerWaalsContact OG-NH2 3.1Å; D379-R385 IonicContact OD2-CZ 2.79Å; D379-R385 IonicContact OD2-NE 2.69Å; D379-R385 PolarHBondContact OD2-NE 3.01Å; D379-R385 IonicContact OD2-NH2 3.48Å; D379-R385 PolarHBondContact OD2-NH2 3.26Å; R381-R385 WeakPolarHBondContact O-CB 3.22Å; R381-R385 PolarHBondContact O-N 3.16Å; F382-R385 PolarHBondContact O-N 2.99Å; R385-A388 PolarHBondContact O-N 2.95Å; R385-L389 HydrophobicContact CG-CD1 3.9Å; R385-L389 WeakPolarHBondContact O-CB 3.43Å; R385-L389 WeakPolarHBondContact O-CG 3.43Å; R385-L389 PolarHBondContact O-N 2.81Å
386	W	91	Very high	85.4	Confident	91 Å²	91	68.4 Å²	68.4	35%	0.345	38%	0.378	S	S	.	.	H	α-helix	trans	-69.9	-37.5	178.4	-76.1	103.2	0	0	0	112.9	F382 L389 V390	F382-W386 AromaticContact CD1-CD1 3.92Å; F382-W386 AromaticContact CD2-CD1 3.59Å; F382-W386 AromaticContact CD2-NE1 3.53Å; F382-W386 AromaticContact CE1-CD1 3.76Å; F382-W386 AromaticContact CE2-CD1 3.46Å; F382-W386 VanDerWaalsContact CE2-CD1 3.46Å; F382-W386 AromaticContact CE2-NE1 3.13Å; F382-W386 AromaticContact CG-CD1 3.83Å; F382-W386 AromaticContact CZ-CD1 3.54Å; F382-W386 AromaticContact CZ-NE1 3.52Å; F382-W386 VanDerWaalsContact O-CD1 3.27Å; F382-W386 PolarHBondContact O-N 2.75Å; W386-L389 PolarHBondContact O-N 3.41Å; W386-V390 WeakPolarHBondContact O-CB 3.49Å; W386-V390 VanDerWaalsContact O-CG2 3.28Å; W386-V390 WeakPolarHBondContact O-CG2 3.5Å; W386-V390 PolarHBondContact O-N 3.23Å
387	T	91.9	Very high	85.9	Confident	93 Å²	93	70.4 Å²	70.4	57%	0.571	39%	0.393	S	S	*	.	H	α-helix	trans	-66.9	-39.4	173.7	49.8	0	0	0	0	112.5	C383 L384 V390 G391	C383-T387 WeakPolarHBondContact O-CB 3.47Å; C383-T387 WeakPolarHBondContact O-CG2 3.39Å; C383-T387 PolarHBondContact O-N 2.9Å; C383-T387 PolarHBondContact O-OG1 3.16Å; L384-T387 WeakPolarHBondContact CA-OG1 3.39Å; L384-T387 PolarHBondContact O-OG1 3.09Å; L384-T387 VanDerWaalsContact O-OG1 3.09Å; T387-V390 PolarHBondContact O-N 3.35Å; T387-G391 PolarHBondContact O-N 3.16Å
388	A	91.7	Very high	86.6	Confident	28 Å²	28	66.8 Å²	66.8	23%	0.231	37%	0.372	C	S	.	.	H	α-helix	trans	-65.3	-41.4	173.6	0	0	0	0	0	112.6	L357 M362 L384 R385 G391 L392	L357-A388 HydrophobicContact CD2-CB 4.23Å; M362-A388 HydrophobicContact CE-CB 3.6Å; L384-A388 WeakPolarHBondContact O-CB 3.42Å; L384-A388 PolarHBondContact O-N 3.08Å; R385-A388 PolarHBondContact O-N 2.95Å; A388-G391 PolarHBondContact O-N 3.03Å; A388-L392 WeakPolarHBondContact O-CB 3.41Å; A388-L392 PolarHBondContact O-N 2.99Å
389	L	91.1	Very high	87.9	Confident	14 Å²	14	65.4 Å²	65.4	7%	0.073	36%	0.36	C	S	.	.	H	α-helix	trans	-67.8	-35.4	176.5	-71.7	169.2	0	0	0	112.5	A354 L358 P372 R385 W386 L392 S393 M399	A354-L389 HydrophobicContact CB-CD2 3.66Å; L358-L389 HydrophobicContact CD2-CD2 4.3Å; L358-L389 HydrophobicContact CD2-CG 4.38Å; P372-L389 HydrophobicContact CB-CD2 4.45Å; P372-L389 WeakPolarHBondContact O-CD1 3.44Å; R385-L389 HydrophobicContact CG-CD1 3.9Å; R385-L389 WeakPolarHBondContact O-CB 3.43Å; R385-L389 WeakPolarHBondContact O-CG 3.43Å; R385-L389 PolarHBondContact O-N 2.81Å; W386-L389 PolarHBondContact O-N 3.41Å; L389-L392 PolarHBondContact O-N 3.02Å; L389-S393 PolarHBondContact O-N 3.35Å; L389-M399 HydrophobicContact CD2-CE 4.4Å
390	V	92.1	Very high	88.5	Confident	82 Å²	82	68 Å²	68	50%	0.497	38%	0.379	S	S	.	.	H	α-helix	trans	-68.4	-41.9	171.6	167.9	0	0	0	0	111.3	W386 T387 L392 S393 L394	W386-V390 WeakPolarHBondContact O-CB 3.49Å; W386-V390 VanDerWaalsContact O-CG2 3.28Å; W386-V390 WeakPolarHBondContact O-CG2 3.5Å; W386-V390 PolarHBondContact O-N 3.23Å; T387-V390 PolarHBondContact O-N 3.35Å; V390-L392 VanDerWaalsContact C-N 3.3Å; V390-L392 PolarHBondContact O-N 3.16Å; V390-S393 PolarHBondContact O-N 2.89Å; V390-S393 PolarHBondContact O-OG 3.34Å; V390-L394 WeakPolarHBondContact O-CG 3.38Å; V390-L394 PolarHBondContact O-N 3.1Å
391	G	92.6	Very high	89.3	Confident	32 Å²	32	62.9 Å²	62.9	33%	0.33	36%	0.362	S	S	.	.	H	α-helix	trans	-58.7	-42	171.6	0	0	0	0	0	112.1	T387 A388 L394 L395	T387-G391 PolarHBondContact O-N 3.16Å; A388-G391 PolarHBondContact O-N 3.03Å; G391-L394 PolarHBondContact O-N 3.4Å; G391-L395 PolarHBondContact O-N 3.44Å
392	L	92	Very high	89.8	Confident	24 Å²	24	59.2 Å²	59.2	13%	0.126	35%	0.348	C	S	.	.	H	α-helix	trans	-68.9	-36.2	176.2	-176.5	61.4	0	0	0	112.9	C353 A354 L357 A388 L389 V390 L394 L395 A396 M399	C353-L392 HydrophobicContact CB-CD1 4.35Å; C353-L392 HydrophobicContact CB-CD2 4.04Å; A354-L392 HydrophobicContact CB-CD2 4.14Å; L357-L392 HydrophobicContact CB-CD2 4.21Å; L357-L392 HydrophobicContact CD2-CB 3.86Å; L357-L392 HydrophobicContact CD2-CD2 3.79Å; L357-L392 HydrophobicContact CD2-CG 4.31Å; A388-L392 WeakPolarHBondContact O-CB 3.41Å; A388-L392 PolarHBondContact O-N 2.99Å; L389-L392 PolarHBondContact O-N 3.02Å; V390-L392 VanDerWaalsContact C-N 3.3Å; V390-L392 PolarHBondContact O-N 3.16Å; L392-L394 VanDerWaalsContact C-N 3.26Å; L392-L394 PolarHBondContact O-N 3.25Å; L392-L395 CarbonylContact O-C 3.43Å; L392-L395 PolarHBondContact O-N 2.96Å; L392-L395 VanDerWaalsContact O-N 3.11Å; L392-A396 PolarHBondContact O-N 2.86Å; L392-M399 HydrophobicContact CB-CE 4.13Å; L392-M399 HydrophobicContact CD2-CE 3.67Å; L392-M399 HydrophobicContact CD2-SD 4.11Å; L392-M399 HydrophobicContact CG-CE 3.79Å; L392-M399 HydrophobicContact CG-SD 4.43Å
393	S	91.9	Very high	90	Very high	28 Å²	28	60 Å²	60	20%	0.196	36%	0.364	C	S	.	.	H	α-helix	trans	-70	-22.9	177.7	69.5	0	0	0	0	113.2	L389 V390 A396 P397	L389-S393 PolarHBondContact O-N 3.35Å; V390-S393 PolarHBondContact O-N 2.89Å; V390-S393 PolarHBondContact O-OG 3.34Å; S393-A396 CarbonylContact O-C 3.54Å; S393-P397 WeakPolarHBondContact O-CA 3.46Å
394	L	90.8	Very high	90.3	Very high	138 Å²	138	59.3 Å²	59.3	72%	0.723	36%	0.358	S	S	*	.	H	α-helix	trans	-71.1	-35.8	168.3	-66.1	171.5	0	0	0	112.1	V390 G391 L392	V390-L394 WeakPolarHBondContact O-CG 3.38Å; V390-L394 PolarHBondContact O-N 3.1Å; G391-L394 PolarHBondContact O-N 3.4Å; L392-L394 VanDerWaalsContact C-N 3.26Å; L392-L394 PolarHBondContact O-N 3.25Å
395	L	89.6	Confident	90.3	Very high	148 Å²	148	57.7 Å²	57.7	78%	0.775	35%	0.35	S	S	*	.	H	α-helix	trans	-79.5	-31.2	177.2	-65.5	172.4	0	0	0	113.1	G391 L392	G391-L395 PolarHBondContact O-N 3.44Å; L392-L395 CarbonylContact O-C 3.43Å; L392-L395 PolarHBondContact O-N 2.96Å; L392-L395 VanDerWaalsContact O-N 3.11Å
396	A	89.6	Confident	90.2	Very high	15 Å²	15	61.2 Å²	61.2	12%	0.124	36%	0.363	C	S	.	.			trans	-128.7	78.4	179.8	0	0	0	0	0	110.8	L392 S393 C398 M399	L392-A396 PolarHBondContact O-N 2.86Å; S393-A396 CarbonylContact O-C 3.54Å; A396-C398 PolarHBondContact O-N 3.13Å; A396-M399 HydrophobicContact CB-CG 4.08Å; A396-M399 VanDerWaalsContact O-CB 3.3Å; A396-M399 WeakPolarHBondContact O-CB 3.43Å; A396-M399 WeakPolarHBondContact O-CG 3.3Å; A396-M399 PolarHBondContact O-N 3.2Å
397	P	87.6	Confident	90.2	Very high	87 Å²	87	59.2 Å²	59.2	57%	0.565	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-59.5	-20.3	-175.5	-27.1	36.5	0	0	0	115.1	S393 M399 C400	S393-P397 WeakPolarHBondContact O-CA 3.46Å; P397-M399 PolarHBondContact O-N 3.46Å; P397-C400 VanDerWaalsContact O-CB 3.3Å; P397-C400 WeakPolarHBondContact O-CB 3.48Å; P397-C400 PolarHBondContact O-N 3.32Å
398	C	88.5	Confident	90.1	Very high	38 Å²	38	59 Å²	59	26%	0.257	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-58.4	-24.5	170.2	45.4	0	0	0	0	113.7	S349 F350 A396 C400 C401	S349-C398 WeakPolarHBondContact CA-O 3.27Å; S349-C398 CarbonylContact O-C 3.4Å; F350-C398 HydrophobicContact CD2-CB 3.93Å; F350-C398 WeakPolarHBondContact CD2-SG 3.47Å; F350-C398 VanDerWaalsContact CG-SG 3.58Å; A396-C398 PolarHBondContact O-N 3.13Å; C398-C400 VanDerWaalsContact C-N 3.26Å; C398-C400 PolarHBondContact O-N 2.84Å; C398-C401 VanDerWaalsContact O-CB 3.31Å; C398-C401 WeakPolarHBondContact O-CB 3.39Å; C398-C401 PolarHBondContact O-N 3.15Å; C398-C401 VanDerWaalsContact O-N 3.12Å
399	M	88.9	Confident	89.9	Confident	19 Å²	19	58.6 Å²	58.6	9%	0.094	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-59.6	-35.9	171.3	-68.4	-115.8	-61.6	0	0	112.3	S349 M351 A354 L389 L392 A396 P397 C401 Y402	S349-M399 VanDerWaalsContact O-CA 3.25Å; S349-M399 WeakPolarHBondContact O-CA 3.4Å; S349-M399 PolarHBondContact O-N 2.77Å; M351-M399 HydrophobicContact CE-SD 3.97Å; A354-M399 HydrophobicContact CB-CE 4.04Å; A354-M399 HydrophobicContact CB-SD 3.87Å; L389-M399 HydrophobicContact CD2-CE 4.4Å; L392-M399 HydrophobicContact CB-CE 4.13Å; L392-M399 HydrophobicContact CD2-CE 3.67Å; L392-M399 HydrophobicContact CD2-SD 4.11Å; L392-M399 HydrophobicContact CG-CE 3.79Å; L392-M399 HydrophobicContact CG-SD 4.43Å; A396-M399 HydrophobicContact CB-CG 4.08Å; A396-M399 VanDerWaalsContact O-CB 3.3Å; A396-M399 WeakPolarHBondContact O-CB 3.43Å; A396-M399 WeakPolarHBondContact O-CG 3.3Å; A396-M399 PolarHBondContact O-N 3.2Å; P397-M399 PolarHBondContact O-N 3.46Å; M399-C401 PolarHBondContact O-N 2.89Å; M399-Y402 WeakPolarHBondContact O-CB 3.39Å; M399-Y402 PolarHBondContact O-N 3.37Å
400	C	87.9	Confident	89.7	Confident	78 Å²	78	66 Å²	66	53%	0.527	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-63.5	-24.8	178	-59.8	0	0	0	0	112.2	P397 C398 Y402 P404	P397-C400 VanDerWaalsContact O-CB 3.3Å; P397-C400 WeakPolarHBondContact O-CB 3.48Å; P397-C400 PolarHBondContact O-N 3.32Å; C398-C400 VanDerWaalsContact C-N 3.26Å; C398-C400 PolarHBondContact O-N 2.84Å; C400-Y402 VanDerWaalsContact C-N 3.26Å; C400-Y402 PolarHBondContact O-N 3.31Å; C400-P404 VanDerWaalsContact O-CD 3.27Å; C400-P404 WeakPolarHBondContact O-CD 3.36Å
401	C	89.8	Confident	89.5	Confident	62 Å²	62	66 Å²	66	42%	0.419	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-72.4	-15.7	173.9	-58.4	0	0	0	0	113.1	C398 M399 A403 P404 L405	C398-C401 VanDerWaalsContact O-CB 3.31Å; C398-C401 WeakPolarHBondContact O-CB 3.39Å; C398-C401 PolarHBondContact O-N 3.15Å; C398-C401 VanDerWaalsContact O-N 3.12Å; M399-C401 PolarHBondContact O-N 2.89Å; C401-A403 PolarHBondContact O-N 3.26Å; C401-P404 WeakPolarHBondContact O-CD 3.49Å; C401-P404 WeakPolarHBondContact O-CG 3.15Å; C401-L405 HydrophobicContact CB-CD1 4.19Å; C401-L405 VanDerWaalsContact O-CB 3.25Å; C401-L405 WeakPolarHBondContact O-CB 3.1Å; C401-L405 WeakPolarHBondContact O-CD1 3.46Å; C401-L405 WeakPolarHBondContact O-CG 3.28Å; C401-L405 PolarHBondContact O-N 3.46Å
402	Y	90.6	Very high	89.2	Confident	22 Å²	22	65 Å²	65	9%	0.086	38%	0.381	C	S	.	.	H	α-helix	trans	-61.3	-45.2	-179.7	-177	-108.6	0	0	0	112.8	I345 R346 S349 M351 C373 M399 C400 L405 R406	I345-Y402 HydrophobicContact CG2-CD2 3.79Å; I345-Y402 HydrophobicContact CG2-CE2 3.99Å; R346-Y402 HydrophobicContact CG-CE2 4.29Å; S349-Y402 VanDerWaalsContact OG-CD2 3.29Å; S349-Y402 WeakPolarHBondContact OG-CD2 3.25Å; M351-Y402 HydrophobicContact CE-CD1 3.81Å; M351-Y402 HydrophobicContact CE-CD2 3.78Å; M351-Y402 HydrophobicContact CE-CE1 4.38Å; M351-Y402 HydrophobicContact CE-CE2 4.32Å; M351-Y402 HydrophobicContact CE-CG 3.46Å; M351-Y402 VanDerWaalsContact CE-CG 3.46Å; M351-Y402 HydrophobicContact CG-CE2 4.29Å; C373-Y402 WeakPolarHBondContact SG-CE1 3.4Å; M399-Y402 WeakPolarHBondContact O-CB 3.39Å; M399-Y402 PolarHBondContact O-N 3.37Å; C400-Y402 VanDerWaalsContact C-N 3.26Å; C400-Y402 PolarHBondContact O-N 3.31Å; Y402-L405 PolarHBondContact O-N 2.82Å; Y402-R406 VanDerWaalsContact O-CB 3.22Å; Y402-R406 WeakPolarHBondContact O-CB 3.13Å; Y402-R406 PolarHBondContact O-N 3.01Å; Y402-R406 WeakPolarHBondContact OH-CD 3.33Å; Y402-R406 PolarHBondContact OH-NH1 3.36Å
403	A	88.4	Confident	89	Confident	67 Å²	67	66.1 Å²	66.1	55%	0.554	39%	0.388	S	S	*	.	H	α-helix	trans	-60.2	-53.1	-178.8	0	0	0	0	0	113	C401 R406 A407	C401-A403 PolarHBondContact O-N 3.26Å; A403-R406 PolarHBondContact O-N 3.31Å; A403-A407 WeakPolarHBondContact O-CB 3.42Å; A403-A407 PolarHBondContact O-N 2.83Å
404	P	90.4	Very high	88.6	Confident	80 Å²	80	68.7 Å²	68.7	52%	0.519	41%	0.411	S	S	.	.	H	α-helix	trans	-67	-35.2	176.2	25	-33.4	0	0	0	113	C400 C401 A407 C408	C400-P404 VanDerWaalsContact O-CD 3.27Å; C400-P404 WeakPolarHBondContact O-CD 3.36Å; C401-P404 WeakPolarHBondContact O-CD 3.49Å; C401-P404 WeakPolarHBondContact O-CG 3.15Å; P404-A407 PolarHBondContact O-N 3.05Å; P404-C408 WeakPolarHBondContact O-CB 3.36Å; P404-C408 PolarHBondContact O-N 3.04Å
405	L	89.5	Confident	88.4	Confident	62 Å²	62	66.4 Å²	66.4	33%	0.325	41%	0.405	S	S	.	.	H	α-helix	trans	-65	-41.3	174.8	-73.1	172.8	0	0	0	112.1	I345 V348 C401 Y402 C408 H409	I345-L405 HydrophobicContact CD1-CB 4.38Å; I345-L405 HydrophobicContact CG1-CB 4.14Å; I345-L405 HydrophobicContact CG2-CB 3.76Å; I345-L405 HydrophobicContact CG2-CD1 4.41Å; V348-L405 HydrophobicContact CG1-CD1 4.39Å; C401-L405 HydrophobicContact CB-CD1 4.19Å; C401-L405 VanDerWaalsContact O-CB 3.25Å; C401-L405 WeakPolarHBondContact O-CB 3.1Å; C401-L405 WeakPolarHBondContact O-CD1 3.46Å; C401-L405 WeakPolarHBondContact O-CG 3.28Å; C401-L405 PolarHBondContact O-N 3.46Å; Y402-L405 PolarHBondContact O-N 2.82Å; L405-C408 PolarHBondContact O-N 3.34Å; L405-H409 WeakPolarHBondContact O-CB 3.49Å; L405-H409 PolarHBondContact O-N 3.14Å
406	R	88.8	Confident	88	Confident	78 Å²	78	67 Å²	67	29%	0.294	40%	0.397	S	S	.	.	H	α-helix	trans	-71.4	-30.6	176.4	-167.3	173.1	-170.8	-176.5	-0.6	112.3	C373 Y402 A403 R410	C373-R406 PolarHBondContact SG-NH1 2.79Å; Y402-R406 VanDerWaalsContact O-CB 3.22Å; Y402-R406 WeakPolarHBondContact O-CB 3.13Å; Y402-R406 PolarHBondContact O-N 3.01Å; Y402-R406 WeakPolarHBondContact OH-CD 3.33Å; Y402-R406 PolarHBondContact OH-NH1 3.36Å; A403-R406 PolarHBondContact O-N 3.31Å; R406-R410 WeakPolarHBondContact O-CG 3.49Å; R406-R410 PolarHBondContact O-N 2.84Å
407	A	89.5	Confident	87.5	Confident	49 Å²	49	70.4 Å²	70.4	41%	0.405	42%	0.419	S	S	.	.	H	α-helix	trans	-65.6	-48.8	169.3	0	0	0	0	0	111.2	A403 P404 H409 R410 C411	A403-A407 WeakPolarHBondContact O-CB 3.42Å; A403-A407 PolarHBondContact O-N 2.83Å; P404-A407 PolarHBondContact O-N 3.05Å; A407-H409 VanDerWaalsContact C-N 3.31Å; A407-H409 PolarHBondContact O-N 3.37Å; A407-R410 WeakPolarHBondContact O-CB 3.38Å; A407-R410 PolarHBondContact O-N 2.87Å; A407-R410 VanDerWaalsContact O-N 3.16Å; A407-C411 PolarHBondContact O-N 3.02Å; A407-C411 PolarHBondContact O-SG 3.27Å; A407-C411 VanDerWaalsContact O-SG 3.38Å
408	C	90.1	Very high	87.2	Confident	88 Å²	88	66.8 Å²	66.8	60%	0.595	40%	0.396	S	S	*	.	H	α-helix	trans	-58.2	-41.7	175.1	-174.2	0	0	0	0	112	P404 L405 C411 G412	P404-C408 WeakPolarHBondContact O-CB 3.36Å; P404-C408 PolarHBondContact O-N 3.04Å; L405-C408 PolarHBondContact O-N 3.34Å; C408-C411 WeakPolarHBondContact O-CB 3.09Å; C408-C411 PolarHBondContact O-N 3.3Å; C408-G412 PolarHBondContact O-N 3.47Å
409	H	89.2	Confident	86.8	Confident	20 Å²	20	65.5 Å²	65.5	9%	0.093	39%	0.389	C	S	.	.	H	α-helix	trans	-60.4	-47.3	173	176.4	-111.3	0	0	0	112.7	D339 I345 L405 A407 C411 G412 V413	D339-H409 IonicContact OD2-CD2 2.89Å; D339-H409 IonicContact OD2-CE1 3.12Å; D339-H409 IonicContact OD2-NE2 3.32Å; D339-H409 PolarHBondContact OD2-NE2 2.91Å; I345-H409 HydrophobicContact CD1-CB 3.65Å; L405-H409 WeakPolarHBondContact O-CB 3.49Å; L405-H409 PolarHBondContact O-N 3.14Å; A407-H409 VanDerWaalsContact C-N 3.31Å; A407-H409 PolarHBondContact O-N 3.37Å; H409-C411 VanDerWaalsContact C-N 3.31Å; H409-C411 PolarHBondContact O-N 2.79Å; H409-G412 CarbonylContact O-C 3.54Å; H409-G412 PolarHBondContact O-N 3.37Å; H409-G412 VanDerWaalsContact O-N 3.1Å; H409-V413 WeakPolarHBondContact O-CG2 3.24Å; H409-V413 PolarHBondContact O-N 3.21Å
410	R	86.8	Confident	86.6	Confident	169 Å²	169	65 Å²	65	64%	0.638	39%	0.39	S	S	*	.	H	α-helix	trans	-58.1	-41.6	174.6	-75.8	172.6	173.2	177.5	-2	112.3	R406 A407 V413 A414	R406-R410 WeakPolarHBondContact O-CG 3.49Å; R406-R410 PolarHBondContact O-N 2.84Å; A407-R410 WeakPolarHBondContact O-CB 3.38Å; A407-R410 PolarHBondContact O-N 2.87Å; A407-R410 VanDerWaalsContact O-N 3.16Å; R410-V413 PolarHBondContact O-N 2.83Å; R410-A414 PolarHBondContact O-N 3.29Å
411	C	87.9	Confident	86.4	Confident	81 Å²	81	65.9 Å²	65.9	55%	0.547	38%	0.384	S	S	.	.	H	α-helix	trans	-62.8	-45	173.2	-64.4	0	0	0	0	111.7	A407 C408 H409 V413 A414 C415	A407-C411 PolarHBondContact O-N 3.02Å; A407-C411 PolarHBondContact O-SG 3.27Å; A407-C411 VanDerWaalsContact O-SG 3.38Å; C408-C411 WeakPolarHBondContact O-CB 3.09Å; C408-C411 PolarHBondContact O-N 3.3Å; H409-C411 VanDerWaalsContact C-N 3.31Å; H409-C411 PolarHBondContact O-N 2.79Å; C411-V413 VanDerWaalsContact C-N 3.31Å; C411-V413 PolarHBondContact O-N 2.74Å; C411-A414 PolarHBondContact O-N 2.74Å; C411-C415 WeakPolarHBondContact O-CB 3.1Å; C411-C415 PolarHBondContact O-N 2.98Å; C411-C415 PolarHBondContact O-SG 2.99Å; C411-C415 VanDerWaalsContact O-SG 3.35Å
412	G	85.9	Confident	86.1	Confident	13 Å²	13	64 Å²	64	13%	0.134	37%	0.369	C	S	.	.	H	α-helix	trans	-64.2	-31.5	176.8	0	0	0	0	0	114	C408 H409 R416 C417 C418	C408-G412 PolarHBondContact O-N 3.47Å; H409-G412 CarbonylContact O-C 3.54Å; H409-G412 PolarHBondContact O-N 3.37Å; H409-G412 VanDerWaalsContact O-N 3.1Å; G412-R416 PolarHBondContact O-N 2.8Å; G412-C417 WeakPolarHBondContact O-CA 3.41Å; G412-C417 PolarHBondContact O-N 3.5Å; G412-C418 VanDerWaalsContact CA-SG 3.53Å; G412-C418 PolarHBondContact O-N 3.36Å; G412-C418 VanDerWaalsContact O-N 3.13Å
413	V	86.4	Confident	85.8	Confident	46 Å²	46	69.3 Å²	69.3	28%	0.279	39%	0.389	S	S	.	.	H	α-helix	trans	-69.9	-46.9	171.8	170.4	0	0	0	0	110.4	H409 R410 C411 C415 R416 C418	H409-V413 WeakPolarHBondContact O-CG2 3.24Å; H409-V413 PolarHBondContact O-N 3.21Å; R410-V413 PolarHBondContact O-N 2.83Å; C411-V413 VanDerWaalsContact C-N 3.31Å; C411-V413 PolarHBondContact O-N 2.74Å; V413-C415 VanDerWaalsContact C-N 3.27Å; V413-C415 PolarHBondContact O-N 2.9Å; V413-R416 PolarHBondContact O-N 3.34Å; V413-C418 PolarHBondContact N-SG 2.82Å
414	A	84.9	Confident	85.4	Confident	82 Å²	82	67.4 Å²	67.4	68%	0.678	37%	0.373	S	S	*	.	H	α-helix	trans	-60.2	-36.9	176	0	0	0	0	0	112.5	R410 C411 R416	R410-A414 PolarHBondContact O-N 3.29Å; C411-A414 PolarHBondContact O-N 2.74Å; A414-R416 VanDerWaalsContact C-N 3.28Å; A414-R416 PolarHBondContact O-N 2.97Å
415	C	86.3	Confident	84.6	Confident	90 Å²	90	69.4 Å²	69.4	61%	0.608	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	3.9	174	-64.4	0	0	0	0	114.2	C411 V413 C417	C411-C415 WeakPolarHBondContact O-CB 3.1Å; C411-C415 PolarHBondContact O-N 2.98Å; C411-C415 PolarHBondContact O-SG 2.99Å; C411-C415 VanDerWaalsContact O-SG 3.35Å; V413-C415 VanDerWaalsContact C-N 3.27Å; V413-C415 PolarHBondContact O-N 2.9Å; C415-C417 PolarHBondContact O-N 3Å; C415-C417 VanDerWaalsContact O-N 3.14Å; C415-C417 PolarHBondContact O-SG 3.09Å
416	R	80.9	Confident	82.9	Confident	161 Å²	161	73.4 Å²	73.4	61%	0.608	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	22	-176.4	-59.4	178.9	169.5	-170.9	-6.9	114.9	G412 V413 A414	G412-R416 PolarHBondContact O-N 2.8Å; V413-R416 PolarHBondContact O-N 3.34Å; A414-R416 VanDerWaalsContact C-N 3.28Å; A414-R416 PolarHBondContact O-N 2.97Å
417	C	80.1	Confident	82.6	Confident	86 Å²	86	73.2 Å²	73.2	58%	0.581	45%	0.447	S	S	*	.	S	Bend	trans	-81	-32.9	176	-54.8	0	0	0	0	112.5	R331 G412 C415	R331-C417 WeakPolarHBondContact CD-O 3.04Å; G412-C417 WeakPolarHBondContact O-CA 3.41Å; G412-C417 PolarHBondContact O-N 3.5Å; C415-C417 PolarHBondContact O-N 3Å; C415-C417 VanDerWaalsContact O-N 3.14Å; C415-C417 PolarHBondContact O-SG 3.09Å
418	C	80.4	Confident	82.3	Confident	11 Å²	11	74.5 Å²	74.5	7%	0.074	45%	0.45	C	S	.	.	S	Bend	trans	-138.5	-173.9	177.6	62	0	0	0	0	111.6	R331 G332 I341 G412 V413	R331-C418 CarbonylContact C-O 3.53Å; R331-C418 WeakPolarHBondContact CB-O 3.32Å; G332-C418 PolarHBondContact N-O 3.13Å; I341-C418 HydrophobicContact CD1-CB 3.44Å; I341-C418 VanDerWaalsContact CD1-CB 3.44Å; G412-C418 VanDerWaalsContact CA-SG 3.53Å; G412-C418 PolarHBondContact O-N 3.36Å; G412-C418 VanDerWaalsContact O-N 3.13Å; V413-C418 PolarHBondContact N-SG 2.82Å
419	G	81	Confident	81.8	Confident	11 Å²	11	73.7 Å²	73.7	11%	0.113	44%	0.442	C	S	.	.	S	Bend	trans	99.2	156.8	-173	0	0	0	0	0	114	G332 D339	G332-G419 VanDerWaalsContact N-C 3.32Å; G332-G419 PolarHBondContact N-O 3.01Å; D339-G419 WeakPolarHBondContact OD2-CA 3.44Å; D339-G419 PolarHBondContact OD2-N 3.16Å; D339-G419 VanDerWaalsContact OD2-N 3.15Å
420	G	82.9	Confident	81.4	Confident	10 Å²	10	76.9 Å²	76.9	10%	0.103	46%	0.462	C	S	.	.			trans	-61.9	153.4	179.5	0	0	0	0	0	114	G332 Q333 C334	G332-G420 CarbonylContact C-O 3.52Å; G332-G420 WeakPolarHBondContact CA-O 3.39Å; G332-G420 PolarHBondContact N-O 2.86Å; Q333-G420 PolarHBondContact N-O 2.95Å; C334-G420 PolarHBondContact N-O 3.42Å
421	K	85.3	Confident	81.1	Confident	96 Å²	96	71.1 Å²	71.1	42%	0.417	45%	0.451	S	S	.	.			trans	-114.3	151.6	174.3	-75.4	-155.7	170.6	-149	0	110.4	N329 A337	N329-K421 VanDerWaalsContact O-CE 3.24Å; N329-K421 WeakPolarHBondContact O-CE 3.37Å; N329-K421 PolarHBondContact O-NZ 3.18Å; A337-K421 WeakPolarHBondContact CB-O 3.19Å
422	H	83.8	Confident	80.6	Confident	21 Å²	21	70.5 Å²	70.5	10%	0.097	45%	0.445	C	S	.	.			trans	-66.4	148.3	166.9	-58.3	-91.7	0	0	0	109.9	C317 F324 N329 Q333 C334	C317-H422 HydrophobicContact CB-CB 4.14Å; F324-H422 HydrophobicContact CB-CB 4.15Å; F324-H422 HydrophobicContact CD1-CB 3.54Å; F324-H422 HydrophobicContact CD2-CB 3.46Å; F324-H422 VanDerWaalsContact CD2-CB 3.46Å; F324-H422 HydrophobicContact CE1-CB 3.71Å; F324-H422 HydrophobicContact CE2-CB 3.64Å; F324-H422 HydrophobicContact CG-CB 3.42Å; F324-H422 VanDerWaalsContact CG-CB 3.42Å; F324-H422 AromaticContact CG-CG 3.71Å; F324-H422 HydrophobicContact CZ-CB 3.77Å; N329-H422 PolarHBondContact ND2-O 3.43Å; N329-H422 PolarHBondContact OD1-N 2.75Å; Q333-H422 WeakPolarHBondContact CG-NE2 3.44Å; Q333-H422 PolarHBondContact O-NE2 3.2Å; C334-H422 HydrophobicContact CB-CB 4.44Å
423	R	82.5	Confident	80.2	Confident	134 Å²	134	74.6 Å²	74.6	51%	0.506	47%	0.467	S	S	.	.			trans	-137.1	134.4	174.7	-173.9	-178.4	-178.5	160.6	6	108.3	C317 V318 Y319	C317-R423 CarbonylContact C-O 3.59Å; C317-R423 WeakPolarHBondContact CA-O 2.96Å; V318-R423 WeakPolarHBondContact CG2-O 3.36Å; V318-R423 PolarHBondContact N-O 2.7Å; Y319-R423 HydrophobicContact CD2-CB 4.34Å; Y319-R423 HydrophobicContact CE2-CB 3.58Å
424	A	81.3	Confident	79.8	Confident	27 Å²	27	76.8 Å²	76.8	22%	0.223	48%	0.481	C	S	.	.	B	Isolated β-bridge	trans	-81.6	163.1	174.5	0	0	0	0	0	111.9	L315 F324	L315-A424 HydrophobicContact CB-CB 3.86Å; L315-A424 HydrophobicContact CD1-CB 3.86Å; L315-A424 HydrophobicContact CD2-CB 4.3Å; L315-A424 HydrophobicContact CG-CB 4.22Å; F324-A424 HydrophobicContact CE1-CB 4.45Å; F324-A424 HydrophobicContact CZ-CB 4.23Å
425	V	73.7	Confident	79.3	Confident	123 Å²	123	76.3 Å²	76.3	75%	0.745	47%	0.465	S	S	*	.			trans	-72.2	134.1	152.8	-172.9	0	0	0	0	106.8	V318	V318-V425 HydrophobicContact CG2-CG2 3.68Å
426	G	53.9	Low	78.7	Confident	146 Å²	146	75.1 Å²	75.1	100%	1.505	45%	0.452	S	S	*	.			trans	-126.5	0	168.9	0	0	0	0	0	109.9

Retrieved 426 of 426 residues in 166.9 ms (Link to these results)

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