A0A077YXQ5_TRITR Loading...

Vacuolar protein sorting associated protein 11

AlphaFold DB , UniProt , Accession A0A077YXQ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 606 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	70.4	Confident	74.3	Confident	113 Å²	113	77 Å²	77	56%	0.557	44%	0.436	S	S	*	.				0	130.7	0	-168.9	165.4	67.2	0	0	106.9	P11 L269	M1-P11 HydrophobicContact CE-CB 3.78Å; M1-P11 HydrophobicContact CE-CG 4.26Å; M1-P11 HydrophobicContact CG-CB 4.11Å; M1-P11 HydrophobicContact SD-CB 3.76Å; M1-L269 WeakPolarHBondContact CA-O 3.44Å
2	V	75.4	Confident	74.7	Confident	16 Å²	16	71.3 Å²	71.3	10%	0.097	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-68.7	130.1	176.4	179.3	0	0	0	0	107.8	Y12 W46 F261 L269 C271	V2-Y12 PolarHBondContact O-N 3.23Å; V2-Y12 VanDerWaalsContact O-N 3.1Å; V2-W46 HydrophobicContact CG1-CH2 4Å; V2-W46 HydrophobicContact CG1-CZ2 3.54Å; V2-W46 HydrophobicContact CG2-CH2 4.42Å; V2-W46 HydrophobicContact CG2-CZ2 4.34Å; V2-F261 HydrophobicContact CG2-CD1 4.18Å; V2-F261 HydrophobicContact CG2-CE1 3.93Å; V2-L269 HydrophobicContact CB-CB 4.44Å; V2-L269 HydrophobicContact CG2-CB 4.26Å; V2-L269 HydrophobicContact CG2-CD2 4.04Å; V2-L269 HydrophobicContact CG2-CG 4.02Å; V2-L269 PolarHBondContact N-O 3.44Å; V2-C271 HydrophobicContact CG2-CB 3.77Å
3	K	78	Confident	74.8	Confident	123 Å²	123	69.8 Å²	69.8	54%	0.535	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-89.2	147.4	175.2	-59.3	-163.5	-176.7	-179.9	0	109.3	G8 E10	K3-G8 WeakPolarHBondContact CD-O 3.39Å; K3-G8 PolarHBondContact NZ-O 2.88Å; K3-E10 CarbonylContact C-O 3.44Å; K3-E10 VanDerWaalsContact CA-O 3.27Å; K3-E10 WeakPolarHBondContact CA-O 3.46Å
4	D	75	Confident	75	Confident	15 Å²	15	71.3 Å²	71.3	8%	0.08	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-59.4	125.5	173.4	-174.2	-32.1	0	0	0	109.4	T6 G8 E10	D4-T6 VanDerWaalsContact CG-OG1 3.27Å; D4-T6 PolarHBondContact O-N 2.78Å; D4-T6 WeakPolarHBondContact OD1-CB 3.41Å; D4-T6 PolarHBondContact OD1-N 3.27Å; D4-T6 PolarHBondContact OD1-OG1 3.46Å; D4-T6 PolarHBondContact OD2-OG1 3.29Å; D4-G8 VanDerWaalsContact O-CA 3.31Å; D4-G8 WeakPolarHBondContact O-CA 3.47Å; D4-G8 PolarHBondContact O-N 3.42Å; D4-E10 PolarHBondContact N-O 3.04Å
5	P	70.9	Confident	75.3	Confident	72 Å²	72	66.7 Å²	66.7	47%	0.468	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-20.7	-179.3	22.4	-28.5	0	0	0	113.9	W46	P5-W46 HydrophobicContact CG-CB 3.84Å; P5-W46 HydrophobicContact CG-CG 3.99Å
6	T	74.1	Confident	75.2	Confident	125 Å²	125	71.4 Å²	71.4	77%	0.767	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-38.5	180	65	0	0	0	0	112.7	D4	D4-T6 VanDerWaalsContact CG-OG1 3.27Å; D4-T6 PolarHBondContact O-N 2.78Å; D4-T6 WeakPolarHBondContact OD1-CB 3.41Å; D4-T6 PolarHBondContact OD1-N 3.27Å; D4-T6 PolarHBondContact OD1-OG1 3.46Å; D4-T6 PolarHBondContact OD2-OG1 3.29Å
7	N	73.2	Confident	75.3	Confident	62 Å²	62	76.2 Å²	76.2	33%	0.332	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-18.4	-174.9	69.2	37.4	0	0	0	114	V9 E10	N7-V9 PolarHBondContact O-N 3.25Å; N7-V9 PolarHBondContact OD1-N 3.19Å; N7-E10 WeakPolarHBondContact ND2-CB 3.41Å; N7-E10 PolarHBondContact OD1-N 3.27Å
8	G	71.9	Confident	75.6	Confident	36 Å²	36	74.6 Å²	74.6	37%	0.371	41%	0.41	S	S	.	.	S	Bend	trans	63.1	9	177.3	0	0	0	0	0	115.6	K3 D4	K3-G8 WeakPolarHBondContact CD-O 3.39Å; K3-G8 PolarHBondContact NZ-O 2.88Å; D4-G8 VanDerWaalsContact O-CA 3.31Å; D4-G8 WeakPolarHBondContact O-CA 3.47Å; D4-G8 PolarHBondContact O-N 3.42Å
9	V	75.1	Confident	75.9	Confident	113 Å²	113	75 Å²	75	69%	0.685	41%	0.411	S	S	*	.	S	Bend	trans	-125	-49.6	-174.5	178.5	0	0	0	0	111.1	N7	N7-V9 PolarHBondContact O-N 3.25Å; N7-V9 PolarHBondContact OD1-N 3.19Å
10	E	77	Confident	76.3	Confident	116 Å²	116	71.4 Å²	71.4	54%	0.542	39%	0.391	S	S	.	.	S	Bend	trans	-79.7	154.1	-175.1	-57.9	-166.5	154.4	0	0	111.2	K3 D4 N7	K3-E10 CarbonylContact C-O 3.44Å; K3-E10 VanDerWaalsContact CA-O 3.27Å; K3-E10 WeakPolarHBondContact CA-O 3.46Å; D4-E10 PolarHBondContact N-O 3.04Å; N7-E10 WeakPolarHBondContact ND2-CB 3.41Å; N7-E10 PolarHBondContact OD1-N 3.27Å
11	P	76.8	Confident	76.3	Confident	56 Å²	56	68.2 Å²	68.2	36%	0.364	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-61.9	142	169.8	24.9	-32.3	0	0	0	110.7	M1 S13	M1-P11 HydrophobicContact CE-CB 3.78Å; M1-P11 HydrophobicContact CE-CG 4.26Å; M1-P11 HydrophobicContact CG-CB 4.11Å; M1-P11 HydrophobicContact SD-CB 3.76Å; P11-S13 PolarHBondContact O-N 3.26Å
12	Y	78.3	Confident	76.6	Confident	8 Å²	8	63.1 Å²	63.1	3%	0.031	35%	0.35	C	S	.	.			trans	-54.6	116	171	-173.7	-113.5	0	0	0	110.2	V2 D14 L15 W46	V2-Y12 PolarHBondContact O-N 3.23Å; V2-Y12 VanDerWaalsContact O-N 3.1Å; Y12-D14 HydrophobicContact CE1-CB 4.14Å; Y12-D14 HydrophobicContact CE2-CB 4.08Å; Y12-D14 WeakPolarHBondContact CE2-OD2 3.37Å; Y12-D14 PolarHBondContact OH-OD2 3.13Å; Y12-L15 HydrophobicContact CD1-CD1 4.2Å; Y12-L15 HydrophobicContact CD1-CG 4.15Å; Y12-L15 HydrophobicContact CE1-CD1 3.98Å; Y12-L15 HydrophobicContact CE1-CD2 4.39Å; Y12-L15 HydrophobicContact CE1-CG 3.72Å; Y12-W46 AromaticContact CD1-CE3 3.88Å; Y12-W46 HydrophobicContact CD1-CE3 3.88Å; Y12-W46 AromaticContact CD1-CZ3 3.97Å; Y12-W46 HydrophobicContact CD1-CZ3 3.97Å; Y12-W46 HydrophobicContact CD2-CE3 4.33Å; Y12-W46 AromaticContact CE1-CE3 3.48Å; Y12-W46 HydrophobicContact CE1-CE3 3.48Å; Y12-W46 VanDerWaalsContact CE1-CE3 3.48Å; Y12-W46 AromaticContact CE1-CZ3 3.81Å; Y12-W46 HydrophobicContact CE1-CZ3 3.81Å; Y12-W46 HydrophobicContact CE2-CB 4.08Å; Y12-W46 HydrophobicContact CE2-CD2 4.4Å; Y12-W46 HydrophobicContact CE2-CE3 4.03Å; Y12-W46 HydrophobicContact CE2-CG 4.45Å; Y12-W46 HydrophobicContact CG-CE3 4.27Å; Y12-W46 AromaticContact CZ-CE3 3.59Å
13	S	76.8	Confident	76.9	Confident	52 Å²	52	63 Å²	63	36%	0.364	35%	0.35	S	S	.	.			trans	-108.5	-10.5	-168.9	50.8	0	0	0	0	114.7	P11 L15 K16	P11-S13 PolarHBondContact O-N 3.26Å; S13-L15 PolarHBondContact O-N 3.3Å; S13-K16 WeakPolarHBondContact O-CB 3.33Å; S13-K16 PolarHBondContact O-N 2.58Å
14	D	77.4	Confident	76.8	Confident	91 Å²	91	57.8 Å²	57.8	49%	0.487	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.8	-174.4	-59.6	-15.5	0	0	0	113	Y12	Y12-D14 HydrophobicContact CE1-CB 4.14Å; Y12-D14 HydrophobicContact CE2-CB 4.08Å; Y12-D14 WeakPolarHBondContact CE2-OD2 3.37Å; Y12-D14 PolarHBondContact OH-OD2 3.13Å
15	L	78.7	Confident	76.9	Confident	3 Å²	3	58 Å²	58	2%	0.016	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-4.2	176.6	-55.9	-179.9	0	0	0	114.2	Y12 S13 D17 L18 I20 I32 L263	Y12-L15 HydrophobicContact CD1-CD1 4.2Å; Y12-L15 HydrophobicContact CD1-CG 4.15Å; Y12-L15 HydrophobicContact CE1-CD1 3.98Å; Y12-L15 HydrophobicContact CE1-CD2 4.39Å; Y12-L15 HydrophobicContact CE1-CG 3.72Å; S13-L15 PolarHBondContact O-N 3.3Å; L15-D17 VanDerWaalsContact C-N 3.31Å; L15-D17 PolarHBondContact O-N 2.93Å; L15-L18 HydrophobicContact CD2-CD1 3.69Å; L15-L18 PolarHBondContact O-N 2.86Å; L15-I20 HydrophobicContact CB-CD1 4.06Å; L15-I20 HydrophobicContact CD1-CD1 4.48Å; L15-I20 HydrophobicContact CD2-CD1 4.32Å; L15-I32 HydrophobicContact CD1-CD1 3.68Å; L15-I32 HydrophobicContact CD2-CD1 3.64Å; L15-I32 HydrophobicContact CG-CD1 4.33Å; L15-L263 HydrophobicContact CD1-CD1 4.17Å
16	K	73.8	Confident	76.9	Confident	141 Å²	141	54.9 Å²	54.9	61%	0.613	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-33.9	-167.8	-171	-178.6	173.6	-166	0	113.3	S13	S13-K16 WeakPolarHBondContact O-CB 3.33Å; S13-K16 PolarHBondContact O-N 2.58Å
17	D	77.6	Confident	76.7	Confident	154 Å²	154	55.3 Å²	55.3	82%	0.824	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-1	-176.8	-58.8	-35.5	0	0	0	112.6	L15	L15-D17 VanDerWaalsContact C-N 3.31Å; L15-D17 PolarHBondContact O-N 2.93Å
18	L	80.5	Confident	76.8	Confident	46 Å²	46	56.7 Å²	56.7	24%	0.241	31%	0.314	C	S	.	.			trans	-80.8	127.8	178.3	-64.8	179.3	0	0	0	110.8	L15 I20	L15-L18 HydrophobicContact CD2-CD1 3.69Å; L15-L18 PolarHBondContact O-N 2.86Å; L18-I20 VanDerWaalsContact C-N 3.26Å; L18-I20 HydrophobicContact CB-CD1 4.22Å; L18-I20 HydrophobicContact CB-CG1 3.8Å; L18-I20 PolarHBondContact O-N 3.07Å
19	N	82.2	Confident	77.3	Confident	83 Å²	83	56.4 Å²	56.4	44%	0.444	30%	0.304	S	S	.	.			trans	-81.5	74.6	174	-166.9	-3.7	0	0	0	110.3	A21 D34 R35	N19-A21 PolarHBondContact O-N 2.82Å; N19-D34 CarbonylContact O-C 3.56Å; N19-R35 HydrophobicContact CB-CB 4.46Å; N19-R35 WeakPolarHBondContact O-CG 3.27Å; N19-R35 PolarHBondContact O-N 3.19Å; N19-R35 VanDerWaalsContact OD1-CD 3.23Å; N19-R35 WeakPolarHBondContact OD1-CD 3.19Å; N19-R35 PolarHBondContact OD1-NE 3.15Å
20	I	82.1	Confident	77.7	Confident	2 Å²	2	51 Å²	51	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	127.4	-168.9	-63.6	167.7	0	0	0	111.5	L15 L18 I32 G33 Q251 L263	L15-I20 HydrophobicContact CB-CD1 4.06Å; L15-I20 HydrophobicContact CD1-CD1 4.48Å; L15-I20 HydrophobicContact CD2-CD1 4.32Å; L18-I20 VanDerWaalsContact C-N 3.26Å; L18-I20 HydrophobicContact CB-CD1 4.22Å; L18-I20 HydrophobicContact CB-CG1 3.8Å; L18-I20 PolarHBondContact O-N 3.07Å; I20-I32 HydrophobicContact CB-CG2 4.24Å; I20-I32 HydrophobicContact CD1-CG2 3.74Å; I20-I32 HydrophobicContact CG1-CG2 3.64Å; I20-I32 HydrophobicContact CG2-CG2 3.62Å; I20-G33 CarbonylContact C-O 3.59Å; I20-Q251 PolarHBondContact O-NE2 3.2Å; I20-L263 HydrophobicContact CB-CD2 3.97Å; I20-L263 HydrophobicContact CD1-CD1 4.11Å; I20-L263 HydrophobicContact CD1-CD2 3.46Å; I20-L263 VanDerWaalsContact CD1-CD2 3.46Å; I20-L263 HydrophobicContact CD1-CG 4.37Å; I20-L263 HydrophobicContact CG1-CD2 4.28Å; I20-L263 HydrophobicContact CG2-CD2 3.6Å
21	A	77.5	Confident	78.1	Confident	6 Å²	6	45.7 Å²	45.7	5%	0.05	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-30.2	179.1	0	0	0	0	0	113.2	N19 G33 R35 L58 R226	N19-A21 PolarHBondContact O-N 2.82Å; A21-G33 PolarHBondContact N-O 3.05Å; A21-R35 HydrophobicContact CB-CB 4.42Å; A21-R35 HydrophobicContact CB-CG 3.66Å; A21-L58 HydrophobicContact CB-CD2 4.49Å; A21-L58 WeakPolarHBondContact CB-O 3.43Å; A21-R226 VanDerWaalsContact O-CZ 3.25Å; A21-R226 PolarHBondContact O-NH1 3.04Å; A21-R226 PolarHBondContact O-NH2 3.12Å
22	C	77.1	Confident	78.5	Confident	5 Å²	5	43.1 Å²	43.1	3%	0.034	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168	156.9	177.3	47.1	0	0	0	0	111.2	G33 L58 L61 D252	C22-G33 PolarHBondContact N-O 3.23Å; C22-G33 PolarHBondContact O-N 3.1Å; C22-L58 WeakPolarHBondContact SG-CD2 3.42Å; C22-L61 HydrophobicContact CB-CB 4.48Å; C22-L61 WeakPolarHBondContact SG-CB 3.44Å; C22-L61 PolarHBondContact SG-N 3.08Å; C22-L61 VanDerWaalsContact SG-N 3.36Å; C22-D252 WeakPolarHBondContact CA-OD2 3.41Å
23	C	80.8	Confident	78.8	Confident	14 Å²	14	42.7 Å²	42.7	10%	0.095	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	142.2	173.1	-57.5	0	0	0	0	110.1	C31 D252 F254	C23-C31 CarbonylContact C-O 3.58Å; C23-C31 WeakPolarHBondContact CA-O 3.43Å; C23-D252 HydrophobicContact CB-CB 4.33Å; C23-D252 PolarHBondContact N-OD2 3.11Å; C23-F254 HydrophobicContact CB-CB 4.46Å; C23-F254 HydrophobicContact CB-CD1 3.53Å; C23-F254 HydrophobicContact CB-CE1 4.08Å; C23-F254 HydrophobicContact CB-CG 4.24Å
24	S	77.2	Confident	79.3	Confident	14 Å²	14	40.7 Å²	40.7	10%	0.098	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	146.4	168.9	-175.2	0	0	0	0	109.8	C31 L61 C63	S24-C31 PolarHBondContact N-O 3.34Å; S24-C31 PolarHBondContact O-N 3.47Å; S24-L61 WeakPolarHBondContact CB-O 3.1Å; S24-C63 PolarHBondContact OG-N 3.25Å
25	A	75.4	Confident	79.5	Confident	19 Å²	19	42.5 Å²	42.5	16%	0.157	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	133	178	0	0	0	0	0	110.9	V30 C63 F254 V255 A256	A25-V30 HydrophobicContact CB-CG2 4.36Å; A25-C63 CarbonylContact C-O 3.59Å; A25-F254 HydrophobicContact CB-CB 4.46Å; A25-F254 HydrophobicContact CB-CD2 4.13Å; A25-V255 WeakPolarHBondContact CB-O 3.19Å; A25-A256 HydrophobicContact CB-CB 3.68Å
26	G	70.7	Confident	79.7	Confident	6 Å²	6	46.9 Å²	46.9	6%	0.062	24%	0.237	C	C	.	.			trans	-93.4	-157.9	167.4	0	0	0	0	0	111.7	I29 C63	G26-I29 PolarHBondContact N-O 2.94Å; G26-C63 WeakPolarHBondContact CA-SG 3.06Å; G26-C63 PolarHBondContact N-SG 2.76Å; G26-C63 VanDerWaalsContact N-SG 3.44Å
27	E	69.8	Low	80.1	Confident	134 Å²	134	40.1 Å²	40.1	63%	0.626	21%	0.208	S	C	*	.	S	Bend	trans	-66.5	-53.2	177.6	-171.3	174.3	-166.2	0	0	111.9
28	N	77.1	Confident	80.5	Confident	91 Å²	91	32.8 Å²	32.8	49%	0.487	17%	0.168	S	C	.	.	S	Bend	trans	-119.2	-2.8	-174.5	-67.9	-30.7	0	0	0	114.5	W257	N28-W257 PolarHBondContact O-NE1 3.1Å
29	I	82.1	Confident	80.8	Confident	30 Å²	30	30.7 Å²	30.7	15%	0.154	16%	0.157	C	C	.	.			trans	-130.9	153.5	-177.1	63.4	150.7	0	0	0	111.9	G26 C31 L41 L42 K68 L87	G26-I29 PolarHBondContact N-O 2.94Å; I29-C31 WeakPolarHBondContact CD1-SG 3.43Å; I29-L41 HydrophobicContact CD1-CD2 4.02Å; I29-L42 CarbonylContact C-O 3.53Å; I29-L42 WeakPolarHBondContact CA-O 3.49Å; I29-K68 HydrophobicContact CD1-CD 4.04Å; I29-L87 HydrophobicContact CD1-CD1 3.59Å
30	V	83.9	Confident	81.1	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122	168.6	177.8	0	0	0	0	107.5	A25 I32 L42 F254 A256 W257	A25-V30 HydrophobicContact CB-CG2 4.36Å; V30-I32 HydrophobicContact CG1-CG1 4.09Å; V30-L42 HydrophobicContact CB-CB 4.29Å; V30-L42 PolarHBondContact N-O 2.91Å; V30-L42 PolarHBondContact O-N 3.42Å; V30-F254 HydrophobicContact CB-CE2 4.27Å; V30-F254 HydrophobicContact CG1-CD2 3.96Å; V30-F254 HydrophobicContact CG1-CE1 4.32Å; V30-F254 HydrophobicContact CG1-CE2 3.5Å; V30-F254 HydrophobicContact CG1-CZ 3.7Å; V30-F254 HydrophobicContact CG2-CD2 4.2Å; V30-F254 HydrophobicContact CG2-CE2 3.71Å; V30-A256 HydrophobicContact CG2-CB 3.4Å; V30-A256 VanDerWaalsContact CG2-CB 3.4Å; V30-W257 HydrophobicContact CG2-CH2 4.03Å; V30-W257 HydrophobicContact CG2-CZ2 3.77Å
31	C	84	Confident	81.4	Confident	3 Å²	3	27.8 Å²	27.8	2%	0.02	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.7	174.4	-43.2	0	0	0	0	109	C23 S24 I29 V39 H40 L41 L61	C23-C31 CarbonylContact C-O 3.58Å; C23-C31 WeakPolarHBondContact CA-O 3.43Å; S24-C31 PolarHBondContact N-O 3.34Å; S24-C31 PolarHBondContact O-N 3.47Å; I29-C31 WeakPolarHBondContact CD1-SG 3.43Å; C31-V39 HydrophobicContact CB-CG1 4.49Å; C31-H40 CarbonylContact C-O 3.51Å; C31-H40 WeakPolarHBondContact CA-O 3.36Å; C31-L41 HydrophobicContact CB-CD2 3.95Å; C31-L41 VanDerWaalsContact SG-CD2 3.55Å; C31-L61 HydrophobicContact CB-CD1 4.48Å; C31-L61 HydrophobicContact CB-CD2 3.38Å; C31-L61 HydrophobicContact CB-CG 4.01Å
32	I	86.2	Confident	81.8	Confident	2 Å²	2	27.5 Å²	27.5	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120.6	175.4	-59.4	-179.8	0	0	0	107.1	L15 I20 V30 V39 H40 L42	L15-I32 HydrophobicContact CD1-CD1 3.68Å; L15-I32 HydrophobicContact CD2-CD1 3.64Å; L15-I32 HydrophobicContact CG-CD1 4.33Å; I20-I32 HydrophobicContact CB-CG2 4.24Å; I20-I32 HydrophobicContact CD1-CG2 3.74Å; I20-I32 HydrophobicContact CG1-CG2 3.64Å; I20-I32 HydrophobicContact CG2-CG2 3.62Å; V30-I32 HydrophobicContact CG1-CG1 4.09Å; I32-V39 CarbonylContact O-C 3.5Å; I32-V39 WeakPolarHBondContact O-CA 3.38Å; I32-H40 HydrophobicContact CB-CB 4.22Å; I32-H40 PolarHBondContact N-O 3.45Å; I32-H40 PolarHBondContact O-N 3.22Å; I32-L42 HydrophobicContact CD1-CD1 3.56Å; I32-L42 HydrophobicContact CG1-CD1 4.39Å
33	G	84.5	Confident	82.2	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	130.5	175.6	0	0	0	0	0	110.6	I20 A21 C22 G38 L58	I20-G33 CarbonylContact C-O 3.59Å; A21-G33 PolarHBondContact N-O 3.05Å; C22-G33 PolarHBondContact N-O 3.23Å; C22-G33 PolarHBondContact O-N 3.1Å; G33-G38 WeakPolarHBondContact CA-O 3.4Å; G33-L58 VanDerWaalsContact CA-CD2 3.44Å
34	D	85.9	Confident	82.3	Confident	10 Å²	10	33.7 Å²	33.7	5%	0.053	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	167.4	169.9	72	38.8	0	0	0	111.1	N19 D36 G37 G38	N19-D34 CarbonylContact O-C 3.56Å; D34-D36 VanDerWaalsContact C-N 3.29Å; D34-D36 VanDerWaalsContact OD1-C 3.24Å; D34-D36 VanDerWaalsContact OD1-CA 3.32Å; D34-D36 WeakPolarHBondContact OD1-CA 3.47Å; D34-D36 PolarHBondContact OD1-N 3.06Å; D34-G37 PolarHBondContact OD1-N 3.02Å; D34-G38 VanDerWaalsContact CG-N 3.27Å; D34-G38 PolarHBondContact N-O 3.42Å; D34-G38 WeakPolarHBondContact OD1-CA 3.18Å; D34-G38 PolarHBondContact OD1-N 3.46Å; D34-G38 WeakPolarHBondContact OD2-CA 3.46Å; D34-G38 PolarHBondContact OD2-N 2.93Å
35	R	82.7	Confident	82.6	Confident	129 Å²	129	38.8 Å²	38.8	49%	0.487	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-17	176.4	-75.1	-172.5	-163.9	-111.6	-2.3	113.8	N19 A21 G37 T57	N19-R35 HydrophobicContact CB-CB 4.46Å; N19-R35 WeakPolarHBondContact O-CG 3.27Å; N19-R35 PolarHBondContact O-N 3.19Å; N19-R35 VanDerWaalsContact OD1-CD 3.23Å; N19-R35 WeakPolarHBondContact OD1-CD 3.19Å; N19-R35 PolarHBondContact OD1-NE 3.15Å; A21-R35 HydrophobicContact CB-CB 4.42Å; A21-R35 HydrophobicContact CB-CG 3.66Å; R35-G37 VanDerWaalsContact C-N 3.32Å; R35-T57 WeakPolarHBondContact O-CA 3.49Å; R35-T57 WeakPolarHBondContact O-CB 3.49Å; R35-T57 WeakPolarHBondContact O-CG2 3.25Å
36	D	83.1	Confident	82.9	Confident	94 Å²	94	39.6 Å²	39.6	50%	0.503	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	2.1	-176	-58.7	-38.8	0	0	0	112.5	D34 R52	D34-D36 VanDerWaalsContact C-N 3.29Å; D34-D36 VanDerWaalsContact OD1-C 3.24Å; D34-D36 VanDerWaalsContact OD1-CA 3.32Å; D34-D36 WeakPolarHBondContact OD1-CA 3.47Å; D34-D36 PolarHBondContact OD1-N 3.06Å; D36-R52 PolarHBondContact O-NH2 3.15Å
37	G	81.5	Confident	83.5	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	99.6	2.5	175.4	0	0	0	0	0	115.3	D34 R35 A53 Y54	D34-G37 PolarHBondContact OD1-N 3.02Å; R35-G37 VanDerWaalsContact C-N 3.32Å; G37-A53 WeakPolarHBondContact O-CA 3.23Å; G37-A53 PolarHBondContact O-N 3.14Å; G37-Y54 WeakPolarHBondContact CA-O 3.35Å; G37-Y54 PolarHBondContact O-N 3.47Å
38	G	86.1	Confident	84.3	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	154	174.2	0	0	0	0	0	113.9	G33 D34	G33-G38 WeakPolarHBondContact CA-O 3.4Å; D34-G38 VanDerWaalsContact CG-N 3.27Å; D34-G38 PolarHBondContact N-O 3.42Å; D34-G38 WeakPolarHBondContact OD1-CA 3.18Å; D34-G38 PolarHBondContact OD1-N 3.46Å; D34-G38 WeakPolarHBondContact OD2-CA 3.46Å; D34-G38 PolarHBondContact OD2-N 2.93Å
39	V	87	Confident	84.7	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	124.4	177.1	177.8	0	0	0	0	108.5	C31 I32 L41 Y50 F51 A53 L58 L61	C31-V39 HydrophobicContact CB-CG1 4.49Å; I32-V39 CarbonylContact O-C 3.5Å; I32-V39 WeakPolarHBondContact O-CA 3.38Å; V39-L41 HydrophobicContact CG1-CD2 3.85Å; V39-L41 HydrophobicContact CG1-CG 4.46Å; V39-Y50 WeakPolarHBondContact O-CA 3.07Å; V39-F51 HydrophobicContact CB-CD1 4.16Å; V39-F51 HydrophobicContact CB-CE1 3.59Å; V39-F51 HydrophobicContact CB-CE2 4.15Å; V39-F51 HydrophobicContact CB-CZ 3.59Å; V39-F51 HydrophobicContact CG1-CD1 4.45Å; V39-F51 HydrophobicContact CG1-CE1 3.55Å; V39-F51 HydrophobicContact CG1-CZ 3.72Å; V39-F51 HydrophobicContact CG2-CE2 4.4Å; V39-F51 HydrophobicContact CG2-CZ 4.08Å; V39-F51 PolarHBondContact N-O 2.86Å; V39-F51 PolarHBondContact O-N 2.87Å; V39-A53 HydrophobicContact CG2-CB 3.64Å; V39-L58 HydrophobicContact CG2-CD1 3.48Å; V39-L58 VanDerWaalsContact CG2-CD1 3.48Å; V39-L61 HydrophobicContact CG1-CD1 4.45Å; V39-L61 HydrophobicContact CG1-CD2 4.17Å; V39-L61 HydrophobicContact CG2-CD1 4.42Å
40	H	88.7	Confident	84.9	Confident	14 Å²	14	43 Å²	43	7%	0.065	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129.5	173.4	-64.1	-97	0	0	0	108.9	C31 I32 D48 Y50	C31-H40 CarbonylContact C-O 3.51Å; C31-H40 WeakPolarHBondContact CA-O 3.36Å; I32-H40 HydrophobicContact CB-CB 4.22Å; I32-H40 PolarHBondContact N-O 3.45Å; I32-H40 PolarHBondContact O-N 3.22Å; H40-D48 WeakPolarHBondContact CA-OD1 3.48Å; H40-D48 VanDerWaalsContact CB-OD1 3.29Å; H40-D48 WeakPolarHBondContact CB-OD1 3.35Å; H40-D48 IonicContact CE1-OD2 3.01Å; H40-D48 IonicContact CG-OD1 2.74Å; H40-D48 IonicContact CG-OD2 3.64Å; H40-D48 IonicContact ND1-OD1 2.6Å; H40-D48 PolarHBondContact ND1-OD1 3.35Å; H40-D48 IonicContact ND1-OD2 2.61Å; H40-D48 PolarHBondContact ND1-OD2 3.49Å; H40-Y50 AromaticContact CD2-CD2 3.88Å; H40-Y50 AromaticContact CE1-CD2 3.43Å; H40-Y50 VanDerWaalsContact CE1-CD2 3.43Å; H40-Y50 WeakPolarHBondContact CE1-CD2 3.4Å; H40-Y50 AromaticContact ND1-CD2 3.81Å; H40-Y50 AromaticContact NE2-CD2 3.46Å; H40-Y50 WeakPolarHBondContact NE2-CD2 3.2Å; H40-Y50 AromaticContact NE2-CE2 3.76Å
41	L	87.6	Confident	85.1	Confident	9 Å²	9	43.4 Å²	43.4	5%	0.047	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	109.2	177.2	-53.6	173.7	0	0	0	108.3	I29 C31 V39 N47 D48 T49 F51 L87 F90	I29-L41 HydrophobicContact CD1-CD2 4.02Å; C31-L41 HydrophobicContact CB-CD2 3.95Å; C31-L41 VanDerWaalsContact SG-CD2 3.55Å; V39-L41 HydrophobicContact CG1-CD2 3.85Å; V39-L41 HydrophobicContact CG1-CG 4.46Å; L41-N47 VanDerWaalsContact O-O 3.12Å; L41-D48 PolarHBondContact N-OD1 3.36Å; L41-T49 WeakPolarHBondContact CB-O 3.36Å; L41-T49 PolarHBondContact N-O 2.89Å; L41-T49 PolarHBondContact O-N 3.46Å; L41-F51 HydrophobicContact CD1-CD1 4.22Å; L41-F51 HydrophobicContact CD1-CE1 3.82Å; L41-F51 HydrophobicContact CD2-CE1 4.13Å; L41-F51 HydrophobicContact CG-CD1 4.41Å; L41-F51 HydrophobicContact CG-CE1 3.92Å; L41-L87 HydrophobicContact CD1-CD1 3.78Å; L41-L87 HydrophobicContact CD1-CD2 4.19Å; L41-L87 HydrophobicContact CD2-CD1 3.6Å; L41-L87 HydrophobicContact CG-CD1 4.34Å; L41-F90 HydrophobicContact CD1-CE1 4.24Å; L41-F90 HydrophobicContact CD1-CZ 4.33Å
42	L	87.6	Confident	85.1	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.8	178.7	-59.4	173.7	0	0	0	110.3	I29 V30 I32 W46 N47 D48	I29-L42 CarbonylContact C-O 3.53Å; I29-L42 WeakPolarHBondContact CA-O 3.49Å; V30-L42 HydrophobicContact CB-CB 4.29Å; V30-L42 PolarHBondContact N-O 2.91Å; V30-L42 PolarHBondContact O-N 3.42Å; I32-L42 HydrophobicContact CD1-CD1 3.56Å; I32-L42 HydrophobicContact CG1-CD1 4.39Å; L42-W46 HydrophobicContact CD1-CE3 4.08Å; L42-W46 HydrophobicContact CD1-CZ3 4.05Å; L42-N47 WeakPolarHBondContact CA-O 3.49Å; L42-D48 HydrophobicContact CD2-CB 3.73Å
43	D	85	Confident	84.8	Confident	43 Å²	43	49.8 Å²	49.8	23%	0.23	23%	0.231	C	C	.	.			trans	-86	-178.3	169.9	70.5	12.9	0	0	0	112.4	Q45 W46 N47 W257	D43-Q45 PolarHBondContact O-N 3.39Å; D43-Q45 VanDerWaalsContact OD1-C 3.28Å; D43-Q45 VanDerWaalsContact OD1-CA 3.29Å; D43-Q45 WeakPolarHBondContact OD1-CA 3.39Å; D43-Q45 WeakPolarHBondContact OD1-CB 3.33Å; D43-Q45 PolarHBondContact OD1-N 2.92Å; D43-W46 PolarHBondContact O-N 2.81Å; D43-W46 PolarHBondContact OD1-N 3.37Å; D43-N47 PolarHBondContact N-O 3.27Å; D43-N47 PolarHBondContact OD1-N 2.95Å; D43-N47 PolarHBondContact OD1-ND2 3.12Å; D43-N47 WeakPolarHBondContact OD2-CB 3.27Å; D43-N47 PolarHBondContact OD2-ND2 2.9Å; D43-W257 VanDerWaalsContact C-CZ2 3.41Å; D43-W257 WeakPolarHBondContact O-CH2 3.13Å; D43-W257 WeakPolarHBondContact O-CZ2 3.41Å
44	Q	82.6	Confident	84.5	Confident	105 Å²	105	50 Å²	50	49%	0.491	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.5	178.5	-73.7	-176.2	5.3	0	0	113.6	W46 W257	Q44-W46 VanDerWaalsContact C-N 3.32Å; Q44-W257 HydrophobicContact CG-CD2 4.05Å; Q44-W257 HydrophobicContact CG-CG 3.98Å; Q44-W257 HydrophobicContact CG-CZ2 4.29Å; Q44-W257 VanDerWaalsContact CG-NE1 3.3Å
45	Q	82.3	Confident	83.7	Confident	121 Å²	121	56.4 Å²	56.4	57%	0.565	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	0.5	176.8	-65.7	84.1	-7.8	0	0	112.4	D43 N47	D43-Q45 PolarHBondContact O-N 3.39Å; D43-Q45 VanDerWaalsContact OD1-C 3.28Å; D43-Q45 VanDerWaalsContact OD1-CA 3.29Å; D43-Q45 WeakPolarHBondContact OD1-CA 3.39Å; D43-Q45 WeakPolarHBondContact OD1-CB 3.33Å; D43-Q45 PolarHBondContact OD1-N 2.92Å; Q45-N47 VanDerWaalsContact C-N 3.26Å; Q45-N47 PolarHBondContact O-N 3.25Å
46	W	81.8	Confident	83.1	Confident	36 Å²	36	52.6 Å²	52.6	14%	0.136	25%	0.25	C	S	.	.			trans	63.8	24.1	-173.5	-55.7	79.4	0	0	0	114.4	V2 P5 Y12 L42 D43 Q44 D48 W257 F261 L269	V2-W46 HydrophobicContact CG1-CH2 4Å; V2-W46 HydrophobicContact CG1-CZ2 3.54Å; V2-W46 HydrophobicContact CG2-CH2 4.42Å; V2-W46 HydrophobicContact CG2-CZ2 4.34Å; P5-W46 HydrophobicContact CG-CB 3.84Å; P5-W46 HydrophobicContact CG-CG 3.99Å; Y12-W46 AromaticContact CD1-CE3 3.88Å; Y12-W46 HydrophobicContact CD1-CE3 3.88Å; Y12-W46 AromaticContact CD1-CZ3 3.97Å; Y12-W46 HydrophobicContact CD1-CZ3 3.97Å; Y12-W46 HydrophobicContact CD2-CE3 4.33Å; Y12-W46 AromaticContact CE1-CE3 3.48Å; Y12-W46 HydrophobicContact CE1-CE3 3.48Å; Y12-W46 VanDerWaalsContact CE1-CE3 3.48Å; Y12-W46 AromaticContact CE1-CZ3 3.81Å; Y12-W46 HydrophobicContact CE1-CZ3 3.81Å; Y12-W46 HydrophobicContact CE2-CB 4.08Å; Y12-W46 HydrophobicContact CE2-CD2 4.4Å; Y12-W46 HydrophobicContact CE2-CE3 4.03Å; Y12-W46 HydrophobicContact CE2-CG 4.45Å; Y12-W46 HydrophobicContact CG-CE3 4.27Å; Y12-W46 AromaticContact CZ-CE3 3.59Å; L42-W46 HydrophobicContact CD1-CE3 4.08Å; L42-W46 HydrophobicContact CD1-CZ3 4.05Å; D43-W46 PolarHBondContact O-N 2.81Å; D43-W46 PolarHBondContact OD1-N 3.37Å; Q44-W46 VanDerWaalsContact C-N 3.32Å; W46-D48 PolarHBondContact O-N 3.36Å; W46-W257 AromaticContact CE2-CZ3 4Å; W46-W257 HydrophobicContact CH2-CH2 4.48Å; W46-W257 HydrophobicContact CH2-CZ3 4.13Å; W46-W257 HydrophobicContact CZ2-CH2 4.25Å; W46-W257 AromaticContact CZ2-CZ3 3.66Å; W46-W257 HydrophobicContact CZ2-CZ3 3.66Å; W46-F261 HydrophobicContact CH2-CE1 4.1Å; W46-F261 HydrophobicContact CZ2-CE1 4.07Å; W46-L269 HydrophobicContact CH2-CD2 3.2Å; W46-L269 HydrophobicContact CZ2-CD2 4.35Å; W46-L269 HydrophobicContact CZ3-CD2 3.45Å; W46-L269 VanDerWaalsContact CZ3-CD2 3.45Å
47	N	83.9	Confident	82.3	Confident	94 Å²	94	50.2 Å²	50.2	50%	0.503	24%	0.239	S	C	.	.			trans	-71.1	129.9	168.8	-56.5	-53.8	0	0	0	108.9	L41 L42 D43 Q45	L41-N47 VanDerWaalsContact O-O 3.12Å; L42-N47 WeakPolarHBondContact CA-O 3.49Å; D43-N47 PolarHBondContact N-O 3.27Å; D43-N47 PolarHBondContact OD1-N 2.95Å; D43-N47 PolarHBondContact OD1-ND2 3.12Å; D43-N47 WeakPolarHBondContact OD2-CB 3.27Å; D43-N47 PolarHBondContact OD2-ND2 2.9Å; Q45-N47 VanDerWaalsContact C-N 3.26Å; Q45-N47 PolarHBondContact O-N 3.25Å
48	D	86	Confident	81.8	Confident	71 Å²	71	50.2 Å²	50.2	38%	0.38	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124.3	179.2	-174.4	19.1	0	0	0	111.7	H40 L41 L42 W46	H40-D48 WeakPolarHBondContact CA-OD1 3.48Å; H40-D48 VanDerWaalsContact CB-OD1 3.29Å; H40-D48 WeakPolarHBondContact CB-OD1 3.35Å; H40-D48 IonicContact CE1-OD2 3.01Å; H40-D48 IonicContact CG-OD1 2.74Å; H40-D48 IonicContact CG-OD2 3.64Å; H40-D48 IonicContact ND1-OD1 2.6Å; H40-D48 PolarHBondContact ND1-OD1 3.35Å; H40-D48 IonicContact ND1-OD2 2.61Å; H40-D48 PolarHBondContact ND1-OD2 3.49Å; L41-D48 PolarHBondContact N-OD1 3.36Å; L42-D48 HydrophobicContact CD2-CB 3.73Å; W46-D48 PolarHBondContact O-N 3.36Å
49	T	85.6	Confident	80.5	Confident	61 Å²	61	52.6 Å²	52.6	37%	0.374	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	106.7	165.4	-52.5	0	0	0	0	109.1	L41	L41-T49 WeakPolarHBondContact CB-O 3.36Å; L41-T49 PolarHBondContact N-O 2.89Å; L41-T49 PolarHBondContact O-N 3.46Å
50	Y	87.4	Confident	79.1	Confident	107 Å²	107	53.7 Å²	53.7	42%	0.42	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	137.8	179.4	171.1	-97.3	0	0	0	112.1	V39 H40	V39-Y50 WeakPolarHBondContact O-CA 3.07Å; H40-Y50 AromaticContact CD2-CD2 3.88Å; H40-Y50 AromaticContact CE1-CD2 3.43Å; H40-Y50 VanDerWaalsContact CE1-CD2 3.43Å; H40-Y50 WeakPolarHBondContact CE1-CD2 3.4Å; H40-Y50 AromaticContact ND1-CD2 3.81Å; H40-Y50 AromaticContact NE2-CD2 3.46Å; H40-Y50 WeakPolarHBondContact NE2-CD2 3.2Å; H40-Y50 AromaticContact NE2-CE2 3.76Å
51	F	87.2	Confident	78.2	Confident	9 Å²	9	54.1 Å²	54.1	4%	0.039	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	150.1	166.1	68.5	-80.6	0	0	0	111.1	V39 L41 A53 W85 V95 P96	V39-F51 HydrophobicContact CB-CD1 4.16Å; V39-F51 HydrophobicContact CB-CE1 3.59Å; V39-F51 HydrophobicContact CB-CE2 4.15Å; V39-F51 HydrophobicContact CB-CZ 3.59Å; V39-F51 HydrophobicContact CG1-CD1 4.45Å; V39-F51 HydrophobicContact CG1-CE1 3.55Å; V39-F51 HydrophobicContact CG1-CZ 3.72Å; V39-F51 HydrophobicContact CG2-CE2 4.4Å; V39-F51 HydrophobicContact CG2-CZ 4.08Å; V39-F51 PolarHBondContact N-O 2.86Å; V39-F51 PolarHBondContact O-N 2.87Å; L41-F51 HydrophobicContact CD1-CD1 4.22Å; L41-F51 HydrophobicContact CD1-CE1 3.82Å; L41-F51 HydrophobicContact CD2-CE1 4.13Å; L41-F51 HydrophobicContact CG-CD1 4.41Å; L41-F51 HydrophobicContact CG-CE1 3.92Å; F51-A53 HydrophobicContact CD2-CB 4.19Å; F51-A53 HydrophobicContact CE2-CB 3.68Å; F51-A53 PolarHBondContact O-N 3.02Å; F51-W85 HydrophobicContact CD2-CH2 4.07Å; F51-W85 HydrophobicContact CD2-CZ2 4.44Å; F51-W85 HydrophobicContact CD2-CZ3 4.13Å; F51-W85 AromaticContact CE2-CD2 3.94Å; F51-W85 HydrophobicContact CE2-CD2 3.94Å; F51-W85 AromaticContact CE2-CE2 3.87Å; F51-W85 AromaticContact CE2-CE3 3.96Å; F51-W85 HydrophobicContact CE2-CE3 3.96Å; F51-W85 AromaticContact CE2-CH2 3.86Å; F51-W85 HydrophobicContact CE2-CH2 3.86Å; F51-W85 AromaticContact CE2-CZ2 3.87Å; F51-W85 HydrophobicContact CE2-CZ2 3.87Å; F51-W85 AromaticContact CE2-CZ3 3.9Å; F51-W85 HydrophobicContact CE2-CZ3 3.9Å; F51-W85 HydrophobicContact CZ-CD2 4.41Å; F51-V95 HydrophobicContact CB-CG1 4.25Å; F51-V95 HydrophobicContact CB-CG2 4.28Å; F51-V95 HydrophobicContact CD2-CG1 4.33Å; F51-P96 HydrophobicContact CD1-CG 3.88Å; F51-P96 HydrophobicContact CD2-CG 3.95Å; F51-P96 HydrophobicContact CE1-CG 3.64Å; F51-P96 HydrophobicContact CE2-CG 3.7Å; F51-P96 HydrophobicContact CG-CG 4.03Å; F51-P96 HydrophobicContact CZ-CG 3.55Å
52	R	85.6	Confident	77.1	Confident	137 Å²	137	55.7 Å²	55.7	52%	0.517	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	102.1	175.6	-167.2	173.1	-169.2	112.6	-4	110.3	D36 Y54 K55	D36-R52 PolarHBondContact O-NH2 3.15Å; R52-Y54 VanDerWaalsContact CG-O 3.25Å; R52-Y54 WeakPolarHBondContact CG-O 3.34Å; R52-Y54 PolarHBondContact NE-O 2.83Å; R52-K55 PolarHBondContact NH2-O 3.42Å
53	A	79.5	Confident	76.1	Confident	3 Å²	3	55.9 Å²	55.9	3%	0.025	27%	0.273	C	S	.	.			trans	-77.1	-35.6	-178.6	0	0	0	0	0	112.9	G37 V39 F51 L58 K83 W85	G37-A53 WeakPolarHBondContact O-CA 3.23Å; G37-A53 PolarHBondContact O-N 3.14Å; V39-A53 HydrophobicContact CG2-CB 3.64Å; F51-A53 HydrophobicContact CD2-CB 4.19Å; F51-A53 HydrophobicContact CE2-CB 3.68Å; F51-A53 PolarHBondContact O-N 3.02Å; A53-L58 HydrophobicContact CB-CD1 4.31Å; A53-K83 PolarHBondContact O-NZ 3.36Å; A53-W85 HydrophobicContact CB-CZ2 3.81Å
54	Y	77.3	Confident	75	Confident	3 Å²	3	54.6 Å²	54.6	1%	0.012	27%	0.267	C	S	.	.			trans	-134.7	151.2	-177.3	-67.9	-85.7	0	0	0	111.2	G37 R52 L58 S70 Q72 D74 Y81 K83	G37-Y54 WeakPolarHBondContact CA-O 3.35Å; G37-Y54 PolarHBondContact O-N 3.47Å; R52-Y54 VanDerWaalsContact CG-O 3.25Å; R52-Y54 WeakPolarHBondContact CG-O 3.34Å; R52-Y54 PolarHBondContact NE-O 2.83Å; Y54-L58 HydrophobicContact CD2-CB 4.17Å; Y54-L58 HydrophobicContact CD2-CD1 3.85Å; Y54-L58 HydrophobicContact CD2-CG 4.39Å; Y54-L58 HydrophobicContact CE2-CD1 4.03Å; Y54-S70 PolarHBondContact OH-O 3.48Å; Y54-Q72 VanDerWaalsContact CD1-O 3.25Å; Y54-Q72 WeakPolarHBondContact CD1-O 2.94Å; Y54-Q72 WeakPolarHBondContact CE1-O 3.27Å; Y54-Q72 PolarHBondContact OH-N 3.41Å; Y54-D74 VanDerWaalsContact CD1-OD1 3.24Å; Y54-D74 WeakPolarHBondContact CD1-OD1 3.33Å; Y54-Y81 PolarHBondContact OH-O 3.04Å; Y54-Y81 VanDerWaalsContact OH-O 3.05Å; Y54-K83 HydrophobicContact CD1-CD 4.29Å; Y54-K83 HydrophobicContact CE1-CD 3.62Å; Y54-K83 HydrophobicContact CE1-CG 3.85Å; Y54-K83 HydrophobicContact CE2-CD 4.35Å; Y54-K83 VanDerWaalsContact OH-CB 3.32Å; Y54-K83 WeakPolarHBondContact OH-CB 3.5Å; Y54-K83 WeakPolarHBondContact OH-CG 3.22Å; Y54-K83 PolarHBondContact OH-N 3.42Å; Y54-K83 VanDerWaalsContact OH-N 3.1Å
55	K	70.3	Confident	73.9	Confident	145 Å²	145	55.4 Å²	55.4	63%	0.63	27%	0.265	S	S	*	.	S	Bend	trans	-75.2	-37.9	178.8	-70.6	-178.3	-177.2	172.7	0	112.6	R52	R52-K55 PolarHBondContact NH2-O 3.42Å
56	V	68.6	Low	72.4	Confident	50 Å²	50	54.2 Å²	54.2	30%	0.303	27%	0.266	S	S	.	.	S	Bend	trans	-104.3	-68	-164.7	-178.2	0	0	0	0	110.8
57	T	67.5	Low	70.6	Confident	44 Å²	44	54.1 Å²	54.1	27%	0.27	27%	0.268	S	S	.	.			trans	-148.1	153.4	-179.9	57.5	0	0	0	0	110.7	R35 Q72	R35-T57 WeakPolarHBondContact O-CA 3.49Å; R35-T57 WeakPolarHBondContact O-CB 3.49Å; R35-T57 WeakPolarHBondContact O-CG2 3.25Å; T57-Q72 WeakPolarHBondContact O-CB 3.26Å; T57-Q72 WeakPolarHBondContact O-CG 3.18Å
58	L	69.6	Low	68.8	Low	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.254	C	S	.	.			trans	-119.9	127.5	164.9	174.9	147.8	0	0	0	108.2	A21 C22 G33 V39 A53 Y54 L61 Q72	A21-L58 HydrophobicContact CB-CD2 4.49Å; A21-L58 WeakPolarHBondContact CB-O 3.43Å; C22-L58 WeakPolarHBondContact SG-CD2 3.42Å; G33-L58 VanDerWaalsContact CA-CD2 3.44Å; V39-L58 HydrophobicContact CG2-CD1 3.48Å; V39-L58 VanDerWaalsContact CG2-CD1 3.48Å; A53-L58 HydrophobicContact CB-CD1 4.31Å; Y54-L58 HydrophobicContact CD2-CB 4.17Å; Y54-L58 HydrophobicContact CD2-CD1 3.85Å; Y54-L58 HydrophobicContact CD2-CG 4.39Å; Y54-L58 HydrophobicContact CE2-CD1 4.03Å; L58-L61 HydrophobicContact CD2-CB 4.48Å; L58-Q72 HydrophobicContact CB-CB 4.5Å
59	C	59	Low	67	Low	49 Å²	49	48.5 Å²	48.5	33%	0.331	24%	0.237	S	C	.	.			trans	-116.8	-24.5	176.2	-51.6	0	0	0	0	113.7	Q72	C59-Q72 HydrophobicContact CB-CG 4.17Å; C59-Q72 VanDerWaalsContact N-CD 3.32Å; C59-Q72 VanDerWaalsContact N-CG 3.29Å; C59-Q72 VanDerWaalsContact N-OE1 3.08Å; C59-Q72 PolarHBondContact SG-NE2 2.94Å
60	L	59.1	Low	65.5	Low	26 Å²	26	45.7 Å²	45.7	14%	0.136	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	135.6	178.8	-65.2	172.2	0	0	0	112.4	L71 V113 L116	L60-L71 HydrophobicContact CB-CB 4.36Å; L60-L71 PolarHBondContact N-O 3.43Å; L60-L71 PolarHBondContact O-N 2.99Å; L60-L71 VanDerWaalsContact O-O 3.11Å; L60-V113 HydrophobicContact CD1-CB 4.24Å; L60-V113 HydrophobicContact CD1-CG1 3.43Å; L60-V113 VanDerWaalsContact CD1-CG1 3.43Å; L60-L116 HydrophobicContact CD1-CB 4.08Å
61	L	67.8	Low	63.4	Low	22 Å²	22	40.6 Å²	40.6	12%	0.115	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	130.7	-179.8	-176.6	64.9	0	0	0	107.9	C22 S24 C31 V39 L58	C22-L61 HydrophobicContact CB-CB 4.48Å; C22-L61 WeakPolarHBondContact SG-CB 3.44Å; C22-L61 PolarHBondContact SG-N 3.08Å; C22-L61 VanDerWaalsContact SG-N 3.36Å; S24-L61 WeakPolarHBondContact CB-O 3.1Å; C31-L61 HydrophobicContact CB-CD1 4.48Å; C31-L61 HydrophobicContact CB-CD2 3.38Å; C31-L61 HydrophobicContact CB-CG 4.01Å; V39-L61 HydrophobicContact CG1-CD1 4.45Å; V39-L61 HydrophobicContact CG1-CD2 4.17Å; V39-L61 HydrophobicContact CG2-CD1 4.42Å; L58-L61 HydrophobicContact CD2-CB 4.48Å
62	L	64.4	Low	61.6	Low	42 Å²	42	40.6 Å²	40.6	22%	0.22	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	129.7	176.3	-166.5	87.9	0	0	0	110	P64 T69 L116 V118	L62-P64 VanDerWaalsContact C-CD 3.43Å; L62-P64 HydrophobicContact CD2-CG 3.96Å; L62-P64 HydrophobicContact CG-CG 4.43Å; L62-P64 VanDerWaalsContact O-CD 3.29Å; L62-P64 WeakPolarHBondContact O-CD 3.47Å; L62-T69 CarbonylContact C-O 3.56Å; L62-T69 WeakPolarHBondContact CA-O 3.28Å; L62-T69 PolarHBondContact N-O 3.37Å; L62-T69 CarbonylContact O-C 3.47Å; L62-T69 PolarHBondContact O-N 3.46Å; L62-T69 PolarHBondContact O-OG1 3.49Å; L62-L116 HydrophobicContact CB-CD2 3.86Å; L62-L116 HydrophobicContact CB-CG 4.42Å; L62-V118 HydrophobicContact CD2-CB 3.43Å; L62-V118 VanDerWaalsContact CD2-CB 3.43Å; L62-V118 HydrophobicContact CD2-CG2 3.39Å
63	C	68	Low	59.7	Low	5 Å²	5	35.6 Å²	35.6	3%	0.034	18%	0.183	C	C	.	.			trans	-119.3	78.5	178.3	-176.8	0	0	0	0	109.2	S24 A25 G26 K68	S24-C63 PolarHBondContact OG-N 3.25Å; A25-C63 CarbonylContact C-O 3.59Å; G26-C63 WeakPolarHBondContact CA-SG 3.06Å; G26-C63 PolarHBondContact N-SG 2.76Å; G26-C63 VanDerWaalsContact N-SG 3.44Å; C63-K68 HydrophobicContact CB-CG 4.32Å; C63-K68 WeakPolarHBondContact SG-CD 3.35Å; C63-K68 WeakPolarHBondContact SG-CE 3.19Å; C63-K68 WeakPolarHBondContact SG-CG 3.5Å
64	P	60.8	Low	58.3	Low	16 Å²	16	36.8 Å²	36.8	10%	0.104	19%	0.189	C	C	.	.			trans	-51.7	150.1	170	-20.7	25.3	0	0	0	111.4	L62 V66 D67 V118 L122	L62-P64 VanDerWaalsContact C-CD 3.43Å; L62-P64 HydrophobicContact CD2-CG 3.96Å; L62-P64 HydrophobicContact CG-CG 4.43Å; L62-P64 VanDerWaalsContact O-CD 3.29Å; L62-P64 WeakPolarHBondContact O-CD 3.47Å; P64-V66 PolarHBondContact O-N 3.46Å; P64-D67 WeakPolarHBondContact CB-O 3.33Å; P64-D67 WeakPolarHBondContact CD-O 3.39Å; P64-D67 WeakPolarHBondContact CG-O 3.44Å; P64-V118 HydrophobicContact CG-CB 3.96Å; P64-V118 HydrophobicContact CG-CG1 3.94Å; P64-L122 HydrophobicContact CB-CD2 3.89Å; P64-L122 HydrophobicContact CG-CD2 4.01Å
65	R	60.7	Low	56.7	Low	122 Å²	122	41.3 Å²	41.3	46%	0.46	21%	0.213	S	C	.	.	S	Bend	trans	-60.3	-8.1	179.7	-71.9	-172.6	-179.9	156.5	1.2	114.5	I217 G218	R65-I217 PolarHBondContact NH2-O 3.09Å; R65-G218 VanDerWaalsContact NH1-CA 3.33Å; R65-G218 PolarHBondContact NH1-O 3.32Å
66	V	49.9	Very low	55.5	Low	96 Å²	96	42.1 Å²	42.1	58%	0.582	23%	0.225	S	C	*	.	S	Bend	trans	-124.8	-17	-175.2	-174.1	0	0	0	0	114.6	P64 L122	P64-V66 PolarHBondContact O-N 3.46Å; V66-L122 HydrophobicContact CB-CD1 4.18Å; V66-L122 HydrophobicContact CG1-CD1 4.05Å
67	D	43.3	Very low	54.6	Low	34 Å²	34	42 Å²	42	18%	0.182	23%	0.233	C	C	.	.	S	Bend	trans	-179.9	162.2	169.3	-84.5	-41.7	0	0	0	108.9	P64 L122 R142	P64-D67 WeakPolarHBondContact CB-O 3.33Å; P64-D67 WeakPolarHBondContact CD-O 3.39Å; P64-D67 WeakPolarHBondContact CG-O 3.44Å; D67-L122 HydrophobicContact CB-CD1 3.64Å; D67-L122 HydrophobicContact CB-CD2 4.39Å; D67-R142 WeakPolarHBondContact OD2-CD 3.16Å; D67-R142 IonicContact OD2-CZ 3.46Å; D67-R142 IonicContact OD2-NE 3.77Å; D67-R142 IonicContact OD2-NH1 3.75Å; D67-R142 PolarHBondContact OD2-NH1 3.17Å
68	K	47.1	Very low	54	Low	45 Å²	45	45.6 Å²	45.6	20%	0.196	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	137.9	-153.6	-55.2	174.2	-176.3	158.5	0	113.8	I29 C63 V84 W85 L87	I29-K68 HydrophobicContact CD1-CD 4.04Å; C63-K68 HydrophobicContact CB-CG 4.32Å; C63-K68 WeakPolarHBondContact SG-CD 3.35Å; C63-K68 WeakPolarHBondContact SG-CE 3.19Å; C63-K68 WeakPolarHBondContact SG-CG 3.5Å; K68-V84 VanDerWaalsContact O-CG1 3.25Å; K68-V84 WeakPolarHBondContact O-CG1 3.43Å; K68-W85 PolarHBondContact O-N 3.35Å; K68-W85 VanDerWaalsContact O-N 3.1Å; K68-W85 VanDerWaalsContact O-O 3.08Å; K68-L87 HydrophobicContact CB-CG 4.41Å; K68-L87 HydrophobicContact CD-CB 3.79Å; K68-L87 HydrophobicContact CD-CD1 3.11Å; K68-L87 HydrophobicContact CD-CG 3.38Å; K68-L87 HydrophobicContact CG-CD1 4.38Å; K68-L87 HydrophobicContact CG-CG 4.44Å
69	T	49	Very low	53.6	Low	3 Å²	3	48.2 Å²	48.2	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	127.3	-172.6	58.5	0	0	0	0	112.2	L62 V84 V118 V141	L62-T69 CarbonylContact C-O 3.56Å; L62-T69 WeakPolarHBondContact CA-O 3.28Å; L62-T69 PolarHBondContact N-O 3.37Å; L62-T69 CarbonylContact O-C 3.47Å; L62-T69 PolarHBondContact O-N 3.46Å; L62-T69 PolarHBondContact O-OG1 3.49Å; T69-V84 HydrophobicContact CG2-CB 4.49Å; T69-V84 HydrophobicContact CG2-CG1 3.95Å; T69-V84 HydrophobicContact CG2-CG2 4Å; T69-V118 HydrophobicContact CG2-CG2 4.21Å; T69-V141 HydrophobicContact CG2-CG1 3.52Å
70	S	54.1	Low	54.2	Low	1 Å²	1	46 Å²	46	1%	0.007	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	154.2	176.9	66.5	0	0	0	0	111.7	Y54 L82 K83 W85	Y54-S70 PolarHBondContact OH-O 3.48Å; S70-L82 WeakPolarHBondContact O-CD1 3.26Å; S70-K83 CarbonylContact C-O 3.54Å; S70-K83 WeakPolarHBondContact CA-O 3.2Å; S70-K83 PolarHBondContact N-O 2.82Å; S70-K83 CarbonylContact O-C 3.53Å; S70-K83 PolarHBondContact O-N 3.31Å; S70-K83 PolarHBondContact OG-O 3.12Å; S70-W85 PolarHBondContact OG-NE1 2.89Å
71	L	41.8	Very low	54.9	Low	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	118	-174.5	-114	147.7	0	0	0	110.3	L60 Y81 L82 T104 V113 L116 I127	L60-L71 HydrophobicContact CB-CB 4.36Å; L60-L71 PolarHBondContact N-O 3.43Å; L60-L71 PolarHBondContact O-N 2.99Å; L60-L71 VanDerWaalsContact O-O 3.11Å; L71-Y81 CarbonylContact C-O 3.52Å; L71-Y81 WeakPolarHBondContact CA-O 3.39Å; L71-L82 HydrophobicContact CD1-CB 4.35Å; L71-L82 HydrophobicContact CD1-CD1 3.48Å; L71-L82 VanDerWaalsContact CD1-CD1 3.48Å; L71-L82 HydrophobicContact CD1-CG 4.45Å; L71-L82 HydrophobicContact CD2-CB 3.88Å; L71-L82 HydrophobicContact CG-CB 3.78Å; L71-L82 HydrophobicContact CG-CD1 3.56Å; L71-L82 HydrophobicContact CG-CG 4.25Å; L71-T104 HydrophobicContact CD2-CG2 3.95Å; L71-V113 HydrophobicContact CD2-CG2 4.27Å; L71-L116 HydrophobicContact CB-CD2 4.23Å; L71-L116 HydrophobicContact CD1-CB 4.37Å; L71-L116 HydrophobicContact CD1-CD1 3.35Å; L71-L116 HydrophobicContact CD1-CD2 3.56Å; L71-L116 HydrophobicContact CD1-CG 3.92Å; L71-L116 HydrophobicContact CG-CD2 4.49Å; L71-I127 HydrophobicContact CD1-CD1 3.66Å; L71-I127 HydrophobicContact CD1-CG1 4.03Å; L71-I127 HydrophobicContact CD2-CD1 4.06Å; L71-I127 HydrophobicContact CG-CD1 4.48Å
72	Q	50.8	Low	55.5	Low	10 Å²	10	46 Å²	46	5%	0.047	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.5	-177.4	159.2	-149.3	65.8	30.2	0	0	114.7	Y54 T57 L58 C59 Y81	Y54-Q72 VanDerWaalsContact CD1-O 3.25Å; Y54-Q72 WeakPolarHBondContact CD1-O 2.94Å; Y54-Q72 WeakPolarHBondContact CE1-O 3.27Å; Y54-Q72 PolarHBondContact OH-N 3.41Å; T57-Q72 WeakPolarHBondContact O-CB 3.26Å; T57-Q72 WeakPolarHBondContact O-CG 3.18Å; L58-Q72 HydrophobicContact CB-CB 4.5Å; C59-Q72 HydrophobicContact CB-CG 4.17Å; C59-Q72 VanDerWaalsContact N-CD 3.32Å; C59-Q72 VanDerWaalsContact N-CG 3.29Å; C59-Q72 VanDerWaalsContact N-OE1 3.08Å; C59-Q72 PolarHBondContact SG-NE2 2.94Å; Q72-Y81 CarbonylContact C-O 3.15Å; Q72-Y81 PolarHBondContact N-O 2.86Å; Q72-Y81 WeakPolarHBondContact O-CB 3.41Å; Q72-Y81 PolarHBondContact O-N 3.4Å
73	D	44.6	Very low	56.3	Low	31 Å²	31	45.1 Å²	45.1	17%	0.166	24%	0.24	C	C	.	.			trans	-70	132.9	-169.3	-62.2	-53.1	0	0	0	115.3	P80	D73-P80 VanDerWaalsContact OD1-CA 3.29Å; D73-P80 WeakPolarHBondContact OD1-CA 3.37Å
74	D	49.6	Very low	57	Low	28 Å²	28	45 Å²	45	15%	0.15	24%	0.239	C	C	.	.			trans	-102.9	-15.4	177.6	-106	-17.6	0	0	0	114.7	Y54 Y81 K83	Y54-D74 VanDerWaalsContact CD1-OD1 3.24Å; Y54-D74 WeakPolarHBondContact CD1-OD1 3.33Å; D74-Y81 HydrophobicContact CB-CD2 4.22Å; D74-Y81 HydrophobicContact CB-CE2 4.47Å; D74-K83 IonicContact OD1-NZ 2.89Å; D74-K83 PolarHBondContact OD1-NZ 3.3Å; D74-K83 WeakPolarHBondContact OD2-CE 3.32Å; D74-K83 IonicContact OD2-NZ 3.6Å; D74-K83 PolarHBondContact OD2-NZ 3.36Å
75	D	43.9	Very low	58	Low	99 Å²	99	45.2 Å²	45.2	53%	0.529	24%	0.238	S	C	.	.	S	Bend	trans	-142.1	154.8	-178.3	-74.7	-41.4	0	0	0	111.2	G77	D75-G77 VanDerWaalsContact C-N 3.27Å; D75-G77 PolarHBondContact O-N 3.47Å
76	D	45.4	Very low	58.8	Low	162 Å²	162	41.7 Å²	41.7	87%	0.866	23%	0.226	S	C	*	.	S	Bend	trans	-60.4	82.4	171.9	-73	-38.4	0	0	0	110.7
77	G	49.3	Very low	60.2	Low	46 Å²	46	38.1 Å²	38.1	47%	0.474	20%	0.204	S	C	.	.	S	Bend	trans	165.2	71.2	-173.8	0	0	0	0	0	115.9	D75 N79	D75-G77 VanDerWaalsContact C-N 3.27Å; D75-G77 PolarHBondContact O-N 3.47Å; G77-N79 PolarHBondContact O-N 3.09Å
78	I	55.5	Low	61.7	Low	120 Å²	120	41.5 Å²	41.5	62%	0.615	22%	0.222	S	C	*	.	S	Bend	trans	44.4	-16.9	154	-17.2	178.5	0	0	0	121.4	P80 P110	I78-P80 WeakPolarHBondContact O-CD 3.11Å; I78-P110 VanDerWaalsContact C-CB 3.46Å; I78-P110 HydrophobicContact CB-CB 3.41Å; I78-P110 VanDerWaalsContact CB-CB 3.41Å; I78-P110 HydrophobicContact CB-CG 3.44Å; I78-P110 VanDerWaalsContact CB-CG 3.44Å; I78-P110 HydrophobicContact CD1-CG 3.93Å; I78-P110 HydrophobicContact CG1-CG 4.21Å; I78-P110 HydrophobicContact CG2-CB 3.36Å; I78-P110 HydrophobicContact CG2-CG 3.46Å; I78-P110 VanDerWaalsContact CG2-CG 3.46Å; I78-P110 WeakPolarHBondContact O-CB 3.43Å
79	N	61.1	Low	63.3	Low	56 Å²	56	46.7 Å²	46.7	30%	0.299	24%	0.24	S	C	.	.			trans	-96	113.9	-177.7	-83	-36.5	0	0	0	111.9	G77 Y81 P110	G77-N79 PolarHBondContact O-N 3.09Å; N79-Y81 VanDerWaalsContact O-CD2 3.27Å; N79-Y81 WeakPolarHBondContact O-CD2 3.43Å; N79-P110 WeakPolarHBondContact OD1-CB 3.49Å
80	P	70.9	Confident	64.9	Low	2 Å²	2	50.8 Å²	50.8	1%	0.013	26%	0.258	C	S	.	.			trans	-73	138	-177.9	23.1	-24.8	0	0	0	112.1	D73 I78 T104 V111 V113 F129	D73-P80 VanDerWaalsContact OD1-CA 3.29Å; D73-P80 WeakPolarHBondContact OD1-CA 3.37Å; I78-P80 WeakPolarHBondContact O-CD 3.11Å; P80-T104 VanDerWaalsContact CD-O 3.28Å; P80-T104 WeakPolarHBondContact CD-O 3.44Å; P80-T104 VanDerWaalsContact CG-O 3.23Å; P80-T104 WeakPolarHBondContact CG-O 3.26Å; P80-T104 PolarHBondContact O-N 3.42Å; P80-T104 PolarHBondContact O-OG1 3.24Å; P80-V111 WeakPolarHBondContact CG-O 3.49Å; P80-V113 HydrophobicContact CB-CG2 3.58Å; P80-V113 HydrophobicContact CG-CG2 3.51Å; P80-F129 HydrophobicContact CG-CE1 4.43Å
81	Y	75.3	Confident	66.4	Low	47 Å²	47	53.5 Å²	53.5	18%	0.184	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137.1	177.6	-74	-97.7	0	0	0	112.2	Y54 L71 Q72 D74 N79 S102 K103	Y54-Y81 PolarHBondContact OH-O 3.04Å; Y54-Y81 VanDerWaalsContact OH-O 3.05Å; L71-Y81 CarbonylContact C-O 3.52Å; L71-Y81 WeakPolarHBondContact CA-O 3.39Å; Q72-Y81 CarbonylContact C-O 3.15Å; Q72-Y81 PolarHBondContact N-O 2.86Å; Q72-Y81 WeakPolarHBondContact O-CB 3.41Å; Q72-Y81 PolarHBondContact O-N 3.4Å; D74-Y81 HydrophobicContact CB-CD2 4.22Å; D74-Y81 HydrophobicContact CB-CE2 4.47Å; N79-Y81 VanDerWaalsContact O-CD2 3.27Å; N79-Y81 WeakPolarHBondContact O-CD2 3.43Å; Y81-S102 CarbonylContact C-O 3.6Å; Y81-S102 WeakPolarHBondContact CA-O 3.07Å; Y81-K103 HydrophobicContact CD1-CG 3.85Å; Y81-K103 HydrophobicContact CE1-CD 4.2Å; Y81-K103 HydrophobicContact CE1-CG 3.33Å; Y81-K103 WeakPolarHBondContact OH-CE 3.31Å
82	L	80.4	Confident	68.4	Low	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.3	168	167.2	76.4	0	0	0	109.7	S70 L71 V84 C101 S102 T104 M125	S70-L82 WeakPolarHBondContact O-CD1 3.26Å; L71-L82 HydrophobicContact CD1-CB 4.35Å; L71-L82 HydrophobicContact CD1-CD1 3.48Å; L71-L82 VanDerWaalsContact CD1-CD1 3.48Å; L71-L82 HydrophobicContact CD1-CG 4.45Å; L71-L82 HydrophobicContact CD2-CB 3.88Å; L71-L82 HydrophobicContact CG-CB 3.78Å; L71-L82 HydrophobicContact CG-CD1 3.56Å; L71-L82 HydrophobicContact CG-CG 4.25Å; L82-V84 HydrophobicContact CD1-CG2 4.26Å; L82-V84 HydrophobicContact CG-CG2 4.28Å; L82-C101 CarbonylContact O-C 3.57Å; L82-C101 VanDerWaalsContact O-CA 3.26Å; L82-C101 WeakPolarHBondContact O-CA 3.32Å; L82-S102 PolarHBondContact N-O 3.46Å; L82-S102 PolarHBondContact O-N 2.98Å; L82-T104 HydrophobicContact CB-CG2 3.65Å; L82-M125 HydrophobicContact CD1-CE 4.4Å; L82-M125 HydrophobicContact CD1-SD 3.92Å; L82-M125 HydrophobicContact CD2-CE 3.4Å; L82-M125 HydrophobicContact CD2-SD 3.95Å
83	K	81.6	Confident	69.9	Low	25 Å²	25	71.7 Å²	71.7	11%	0.109	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.3	167.8	-69.1	-177	-174.2	168	0	111.2	A53 Y54 S70 D74 W85 V98 R100 C101	A53-K83 PolarHBondContact O-NZ 3.36Å; Y54-K83 HydrophobicContact CD1-CD 4.29Å; Y54-K83 HydrophobicContact CE1-CD 3.62Å; Y54-K83 HydrophobicContact CE1-CG 3.85Å; Y54-K83 HydrophobicContact CE2-CD 4.35Å; Y54-K83 VanDerWaalsContact OH-CB 3.32Å; Y54-K83 WeakPolarHBondContact OH-CB 3.5Å; Y54-K83 WeakPolarHBondContact OH-CG 3.22Å; Y54-K83 PolarHBondContact OH-N 3.42Å; Y54-K83 VanDerWaalsContact OH-N 3.1Å; S70-K83 CarbonylContact C-O 3.54Å; S70-K83 WeakPolarHBondContact CA-O 3.2Å; S70-K83 PolarHBondContact N-O 2.82Å; S70-K83 CarbonylContact O-C 3.53Å; S70-K83 PolarHBondContact O-N 3.31Å; S70-K83 PolarHBondContact OG-O 3.12Å; D74-K83 IonicContact OD1-NZ 2.89Å; D74-K83 PolarHBondContact OD1-NZ 3.3Å; D74-K83 WeakPolarHBondContact OD2-CE 3.32Å; D74-K83 IonicContact OD2-NZ 3.6Å; D74-K83 PolarHBondContact OD2-NZ 3.36Å; K83-W85 HydrophobicContact CD-CZ2 3.96Å; K83-V98 HydrophobicContact CB-CG1 4.43Å; K83-R100 CarbonylContact C-O 3.58Å; K83-R100 VanDerWaalsContact CA-O 3.24Å; K83-R100 WeakPolarHBondContact CA-O 3.42Å; K83-C101 HydrophobicContact CG-CB 4.45Å
84	V	81.3	Confident	71.6	Confident	3 Å²	3	71.5 Å²	71.5	2%	0.018	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.5	174.1	-176.2	0	0	0	0	108.3	K68 T69 L82 V98 V99 R100 V141 R142	K68-V84 VanDerWaalsContact O-CG1 3.25Å; K68-V84 WeakPolarHBondContact O-CG1 3.43Å; T69-V84 HydrophobicContact CG2-CB 4.49Å; T69-V84 HydrophobicContact CG2-CG1 3.95Å; T69-V84 HydrophobicContact CG2-CG2 4Å; L82-V84 HydrophobicContact CD1-CG2 4.26Å; L82-V84 HydrophobicContact CG-CG2 4.28Å; V84-V98 CarbonylContact O-C 3.53Å; V84-V98 WeakPolarHBondContact O-CA 3.17Å; V84-V99 PolarHBondContact O-N 2.98Å; V84-R100 HydrophobicContact CB-CB 3.93Å; V84-R100 HydrophobicContact CG2-CB 3.94Å; V84-R100 HydrophobicContact CG2-CG 4.43Å; V84-R100 PolarHBondContact N-O 3.16Å; V84-R100 PolarHBondContact O-N 3.49Å; V84-V141 HydrophobicContact CG2-CG1 4.24Å; V84-R142 HydrophobicContact CG1-CG 4.46Å
85	W	81.4	Confident	73.2	Confident	20 Å²	20	72.1 Å²	72.1	8%	0.076	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	133.9	-175.3	-61.9	83.3	0	0	0	110.5	F51 A53 K68 S70 K83 L87 V95 P96 F97 V98	F51-W85 HydrophobicContact CD2-CH2 4.07Å; F51-W85 HydrophobicContact CD2-CZ2 4.44Å; F51-W85 HydrophobicContact CD2-CZ3 4.13Å; F51-W85 AromaticContact CE2-CD2 3.94Å; F51-W85 HydrophobicContact CE2-CD2 3.94Å; F51-W85 AromaticContact CE2-CE2 3.87Å; F51-W85 AromaticContact CE2-CE3 3.96Å; F51-W85 HydrophobicContact CE2-CE3 3.96Å; F51-W85 AromaticContact CE2-CH2 3.86Å; F51-W85 HydrophobicContact CE2-CH2 3.86Å; F51-W85 AromaticContact CE2-CZ2 3.87Å; F51-W85 HydrophobicContact CE2-CZ2 3.87Å; F51-W85 AromaticContact CE2-CZ3 3.9Å; F51-W85 HydrophobicContact CE2-CZ3 3.9Å; F51-W85 HydrophobicContact CZ-CD2 4.41Å; A53-W85 HydrophobicContact CB-CZ2 3.81Å; K68-W85 PolarHBondContact O-N 3.35Å; K68-W85 VanDerWaalsContact O-N 3.1Å; K68-W85 VanDerWaalsContact O-O 3.08Å; S70-W85 PolarHBondContact OG-NE1 2.89Å; K83-W85 HydrophobicContact CD-CZ2 3.96Å; W85-L87 HydrophobicContact CB-CD2 4.07Å; W85-V95 HydrophobicContact CH2-CG1 4.46Å; W85-V95 HydrophobicContact CZ3-CG1 3.94Å; W85-P96 HydrophobicContact CD2-CG 4.34Å; W85-P96 HydrophobicContact CE3-CB 3.95Å; W85-P96 HydrophobicContact CE3-CG 3.6Å; W85-P96 HydrophobicContact CZ3-CG 4.06Å; W85-P96 WeakPolarHBondContact CZ3-O 3.27Å; W85-F97 CarbonylContact C-O 3.59Å; W85-F97 WeakPolarHBondContact CA-O 3.49Å; W85-V98 HydrophobicContact CD2-CG2 3.71Å; W85-V98 HydrophobicContact CE3-CB 4.42Å; W85-V98 HydrophobicContact CE3-CG2 3.43Å; W85-V98 VanDerWaalsContact CE3-CG2 3.43Å; W85-V98 HydrophobicContact CH2-CG2 3.34Å; W85-V98 HydrophobicContact CZ2-CG2 3.57Å; W85-V98 HydrophobicContact CZ3-CG2 3.26Å
86	Q	78.7	Confident	75.2	Confident	47 Å²	47	67.6 Å²	67.6	22%	0.22	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	118.1	166.9	-119	-173.9	-57.9	0	0	108.4	D88 R89 P96 F97 V99	Q86-D88 VanDerWaalsContact CB-OD1 3.29Å; Q86-D88 WeakPolarHBondContact CB-OD1 3.23Å; Q86-D88 WeakPolarHBondContact CG-OD1 3.13Å; Q86-D88 PolarHBondContact NE2-OD1 3.3Å; Q86-D88 PolarHBondContact NE2-OD2 2.84Å; Q86-R89 VanDerWaalsContact O-O 3.13Å; Q86-P96 WeakPolarHBondContact O-CB 3.48Å; Q86-F97 PolarHBondContact N-O 3.33Å; Q86-F97 PolarHBondContact O-N 3.38Å; Q86-V99 HydrophobicContact CB-CG2 3.7Å; Q86-V99 HydrophobicContact CG-CG2 3.92Å
87	L	78.4	Confident	76.9	Confident	22 Å²	22	64.9 Å²	64.9	12%	0.115	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	9.4	-179.6	-57.6	-165	0	0	0	112.8	I29 L41 K68 W85 F90 P96	I29-L87 HydrophobicContact CD1-CD1 3.59Å; L41-L87 HydrophobicContact CD1-CD1 3.78Å; L41-L87 HydrophobicContact CD1-CD2 4.19Å; L41-L87 HydrophobicContact CD2-CD1 3.6Å; L41-L87 HydrophobicContact CG-CD1 4.34Å; K68-L87 HydrophobicContact CB-CG 4.41Å; K68-L87 HydrophobicContact CD-CB 3.79Å; K68-L87 HydrophobicContact CD-CD1 3.11Å; K68-L87 HydrophobicContact CD-CG 3.38Å; K68-L87 HydrophobicContact CG-CD1 4.38Å; K68-L87 HydrophobicContact CG-CG 4.44Å; W85-L87 HydrophobicContact CB-CD2 4.07Å; L87-F90 HydrophobicContact CB-CZ 4.33Å; L87-F90 WeakPolarHBondContact O-CE2 3.01Å; L87-F90 WeakPolarHBondContact O-CZ 3.12Å; L87-P96 HydrophobicContact CD2-CB 3.15Å; L87-P96 HydrophobicContact CD2-CG 3.36Å; L87-P96 HydrophobicContact CG-CB 4.49Å
88	D	75.5	Confident	78.5	Confident	105 Å²	105	65.8 Å²	65.8	56%	0.561	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	-13.4	166.9	64.1	-31.9	0	0	0	111.6	Q86	Q86-D88 VanDerWaalsContact CB-OD1 3.29Å; Q86-D88 WeakPolarHBondContact CB-OD1 3.23Å; Q86-D88 WeakPolarHBondContact CG-OD1 3.13Å; Q86-D88 PolarHBondContact NE2-OD1 3.3Å; Q86-D88 PolarHBondContact NE2-OD2 2.84Å
89	R	80.9	Confident	79.8	Confident	154 Å²	154	62.7 Å²	62.7	58%	0.581	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	123.8	179.4	-62.3	-174.9	-179.3	-152.2	-0.7	109.4	Q86 P96 F97	Q86-R89 VanDerWaalsContact O-O 3.13Å; R89-P96 WeakPolarHBondContact O-CA 2.99Å; R89-F97 HydrophobicContact CB-CD2 3.53Å; R89-F97 HydrophobicContact CB-CE2 4.12Å; R89-F97 HydrophobicContact CB-CG 4.39Å; R89-F97 WeakPolarHBondContact O-CD2 3.34Å; R89-F97 PolarHBondContact O-N 3.45Å; R89-F97 VanDerWaalsContact O-N 3.15Å
90	F	82.9	Confident	80.7	Confident	88 Å²	88	60.4 Å²	60.4	39%	0.386	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	147.3	174.4	-65	-90.1	0	0	0	109.7	L41 L87 G94 V95 P96	L41-F90 HydrophobicContact CD1-CE1 4.24Å; L41-F90 HydrophobicContact CD1-CZ 4.33Å; L87-F90 HydrophobicContact CB-CZ 4.33Å; L87-F90 WeakPolarHBondContact O-CE2 3.01Å; L87-F90 WeakPolarHBondContact O-CZ 3.12Å; F90-G94 VanDerWaalsContact CD1-O 3.24Å; F90-G94 WeakPolarHBondContact CD1-O 3.41Å; F90-V95 CarbonylContact C-O 3.6Å; F90-V95 WeakPolarHBondContact CA-O 3.1Å; F90-P96 HydrophobicContact CD1-CB 4.06Å; F90-P96 HydrophobicContact CE1-CB 3.94Å; F90-P96 HydrophobicContact CE1-CG 4.22Å
91	D	85.1	Confident	81.2	Confident	58 Å²	58	63 Å²	63	31%	0.31	31%	0.309	S	S	.	.			trans	-74.1	-179.8	169.3	75.1	7.1	0	0	0	111.3	Q93 G94 V95 F97	D91-Q93 PolarHBondContact O-N 3.33Å; D91-Q93 VanDerWaalsContact OD1-C 3.3Å; D91-Q93 VanDerWaalsContact OD1-CA 3.27Å; D91-Q93 WeakPolarHBondContact OD1-CA 3.48Å; D91-Q93 WeakPolarHBondContact OD1-CB 3.41Å; D91-Q93 PolarHBondContact OD1-N 3.47Å; D91-G94 PolarHBondContact O-N 2.7Å; D91-G94 VanDerWaalsContact O-N 3.12Å; D91-G94 PolarHBondContact OD1-N 2.99Å; D91-V95 PolarHBondContact N-O 3.01Å; D91-V95 PolarHBondContact OD1-N 3.24Å; D91-F97 HydrophobicContact CB-CE2 4.48Å; D91-F97 HydrophobicContact CB-CZ 4.43Å
92	K	84.5	Confident	81.4	Confident	223 Å²	223	61.9 Å²	61.9	97%	0.97	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-16.6	179.1	-63.3	-176.8	-179.5	-179.2	0	113.5
93	Q	82.7	Confident	81.4	Confident	169 Å²	169	68.4 Å²	68.4	79%	0.79	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	0.2	179.7	-60.5	-178.7	-8.1	0	0	111.8	D91 V95	D91-Q93 PolarHBondContact O-N 3.33Å; D91-Q93 VanDerWaalsContact OD1-C 3.3Å; D91-Q93 VanDerWaalsContact OD1-CA 3.27Å; D91-Q93 WeakPolarHBondContact OD1-CA 3.48Å; D91-Q93 WeakPolarHBondContact OD1-CB 3.41Å; D91-Q93 PolarHBondContact OD1-N 3.47Å; Q93-V95 VanDerWaalsContact C-N 3.33Å; Q93-V95 HydrophobicContact CB-CG2 4.33Å
94	G	80	Confident	81.2	Confident	28 Å²	28	67.2 Å²	67.2	29%	0.289	33%	0.331	S	S	.	.	S	Bend	trans	80.4	13.9	-177.4	0	0	0	0	0	113.6	F90 D91	F90-G94 VanDerWaalsContact CD1-O 3.24Å; F90-G94 WeakPolarHBondContact CD1-O 3.41Å; D91-G94 PolarHBondContact O-N 2.7Å; D91-G94 VanDerWaalsContact O-N 3.12Å; D91-G94 PolarHBondContact OD1-N 2.99Å
95	V	83.2	Confident	81	Confident	40 Å²	40	68.9 Å²	68.9	24%	0.242	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-90.3	131.1	176.9	-176.4	0	0	0	0	109	F51 W85 F90 D91 Q93	F51-V95 HydrophobicContact CB-CG1 4.25Å; F51-V95 HydrophobicContact CB-CG2 4.28Å; F51-V95 HydrophobicContact CD2-CG1 4.33Å; W85-V95 HydrophobicContact CH2-CG1 4.46Å; W85-V95 HydrophobicContact CZ3-CG1 3.94Å; F90-V95 CarbonylContact C-O 3.6Å; F90-V95 WeakPolarHBondContact CA-O 3.1Å; D91-V95 PolarHBondContact N-O 3.01Å; D91-V95 PolarHBondContact OD1-N 3.24Å; Q93-V95 VanDerWaalsContact C-N 3.33Å; Q93-V95 HydrophobicContact CB-CG2 4.33Å
96	P	84.2	Confident	80.8	Confident	5 Å²	5	68.6 Å²	68.6	3%	0.032	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	159.3	179.1	20.7	-26.7	0	0	0	113.1	F51 W85 Q86 L87 R89 F90	F51-P96 HydrophobicContact CD1-CG 3.88Å; F51-P96 HydrophobicContact CD2-CG 3.95Å; F51-P96 HydrophobicContact CE1-CG 3.64Å; F51-P96 HydrophobicContact CE2-CG 3.7Å; F51-P96 HydrophobicContact CG-CG 4.03Å; F51-P96 HydrophobicContact CZ-CG 3.55Å; W85-P96 HydrophobicContact CD2-CG 4.34Å; W85-P96 HydrophobicContact CE3-CB 3.95Å; W85-P96 HydrophobicContact CE3-CG 3.6Å; W85-P96 HydrophobicContact CZ3-CG 4.06Å; W85-P96 WeakPolarHBondContact CZ3-O 3.27Å; Q86-P96 WeakPolarHBondContact O-CB 3.48Å; L87-P96 HydrophobicContact CD2-CB 3.15Å; L87-P96 HydrophobicContact CD2-CG 3.36Å; L87-P96 HydrophobicContact CG-CB 4.49Å; R89-P96 WeakPolarHBondContact O-CA 2.99Å; F90-P96 HydrophobicContact CD1-CB 4.06Å; F90-P96 HydrophobicContact CE1-CB 3.94Å; F90-P96 HydrophobicContact CE1-CG 4.22Å
97	F	82.6	Confident	80.4	Confident	105 Å²	105	69 Å²	69	46%	0.461	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	130.8	177.5	-79.9	-90.9	0	0	0	112.2	W85 Q86 R89 D91	W85-F97 CarbonylContact C-O 3.59Å; W85-F97 WeakPolarHBondContact CA-O 3.49Å; Q86-F97 PolarHBondContact N-O 3.33Å; Q86-F97 PolarHBondContact O-N 3.38Å; R89-F97 HydrophobicContact CB-CD2 3.53Å; R89-F97 HydrophobicContact CB-CE2 4.12Å; R89-F97 HydrophobicContact CB-CG 4.39Å; R89-F97 WeakPolarHBondContact O-CD2 3.34Å; R89-F97 PolarHBondContact O-N 3.45Å; R89-F97 VanDerWaalsContact O-N 3.15Å; D91-F97 HydrophobicContact CB-CE2 4.48Å; D91-F97 HydrophobicContact CB-CZ 4.43Å
98	V	82.8	Confident	80.2	Confident	65 Å²	65	76.4 Å²	76.4	39%	0.394	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	117.6	168.8	-175.5	0	0	0	0	109.1	K83 V84 W85 R100	K83-V98 HydrophobicContact CB-CG1 4.43Å; V84-V98 CarbonylContact O-C 3.53Å; V84-V98 WeakPolarHBondContact O-CA 3.17Å; W85-V98 HydrophobicContact CD2-CG2 3.71Å; W85-V98 HydrophobicContact CE3-CB 4.42Å; W85-V98 HydrophobicContact CE3-CG2 3.43Å; W85-V98 VanDerWaalsContact CE3-CG2 3.43Å; W85-V98 HydrophobicContact CH2-CG2 3.34Å; W85-V98 HydrophobicContact CZ2-CG2 3.57Å; W85-V98 HydrophobicContact CZ3-CG2 3.26Å; V98-R100 WeakPolarHBondContact CG1-O 3.25Å
99	V	82.8	Confident	80.1	Confident	55 Å²	55	80.6 Å²	80.6	33%	0.333	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-26.6	179.1	-170.5	0	0	0	0	111.4	V84 Q86 R142	V84-V99 PolarHBondContact O-N 2.98Å; Q86-V99 HydrophobicContact CB-CG2 3.7Å; Q86-V99 HydrophobicContact CG-CG2 3.92Å; V99-R142 HydrophobicContact CG1-CB 4.17Å
100	R	80.4	Confident	79.8	Confident	7 Å²	7	74.8 Å²	74.8	3%	0.026	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	137.7	-179	179.5	-179.7	176.1	-165.5	3.1	110.8	K83 V84 V98 S102 V141 E144	K83-R100 CarbonylContact C-O 3.58Å; K83-R100 VanDerWaalsContact CA-O 3.24Å; K83-R100 WeakPolarHBondContact CA-O 3.42Å; V84-R100 HydrophobicContact CB-CB 3.93Å; V84-R100 HydrophobicContact CG2-CB 3.94Å; V84-R100 HydrophobicContact CG2-CG 4.43Å; V84-R100 PolarHBondContact N-O 3.16Å; V84-R100 PolarHBondContact O-N 3.49Å; V98-R100 WeakPolarHBondContact CG1-O 3.25Å; R100-S102 WeakPolarHBondContact CG-OG 3.37Å; R100-S102 PolarHBondContact NE-OG 2.83Å; R100-V141 WeakPolarHBondContact CD-O 3.13Å; R100-V141 PolarHBondContact NH1-O 2.85Å; R100-E144 HydrophobicContact CG-CG 4.35Å
101	C	81.3	Confident	79.8	Confident	58 Å²	58	71.4 Å²	71.4	39%	0.392	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	126.5	165.2	-172.4	0	0	0	0	108.5	L82 K83	L82-C101 CarbonylContact O-C 3.57Å; L82-C101 VanDerWaalsContact O-CA 3.26Å; L82-C101 WeakPolarHBondContact O-CA 3.32Å; K83-C101 HydrophobicContact CG-CB 4.45Å
102	S	79.8	Confident	79.6	Confident	23 Å²	23	75 Å²	75	16%	0.161	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	138.5	-176	-59.5	0	0	0	0	111.7	Y81 L82 R100	Y81-S102 CarbonylContact C-O 3.6Å; Y81-S102 WeakPolarHBondContact CA-O 3.07Å; L82-S102 PolarHBondContact N-O 3.46Å; L82-S102 PolarHBondContact O-N 2.98Å; R100-S102 WeakPolarHBondContact CG-OG 3.37Å; R100-S102 PolarHBondContact NE-OG 2.83Å
103	K	78.8	Confident	79.5	Confident	137 Å²	137	64.9 Å²	64.9	60%	0.596	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.4	137.1	170	-70.5	178.9	177.2	178	0	109.8	Y81	Y81-K103 HydrophobicContact CD1-CG 3.85Å; Y81-K103 HydrophobicContact CE1-CD 4.2Å; Y81-K103 HydrophobicContact CE1-CG 3.33Å; Y81-K103 WeakPolarHBondContact OH-CE 3.31Å
104	T	77.4	Confident	79.4	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.311	C	S	.	.			trans	-119.2	109.1	175.3	64.2	0	0	0	0	107.9	L71 P80 L82 I127 Y137	L71-T104 HydrophobicContact CD2-CG2 3.95Å; P80-T104 VanDerWaalsContact CD-O 3.28Å; P80-T104 WeakPolarHBondContact CD-O 3.44Å; P80-T104 VanDerWaalsContact CG-O 3.23Å; P80-T104 WeakPolarHBondContact CG-O 3.26Å; P80-T104 PolarHBondContact O-N 3.42Å; P80-T104 PolarHBondContact O-OG1 3.24Å; L82-T104 HydrophobicContact CB-CG2 3.65Å; T104-I127 HydrophobicContact CG2-CD1 3.64Å; T104-Y137 WeakPolarHBondContact CG2-OH 3.19Å
105	S	77.7	Confident	79.4	Confident	37 Å²	37	57.4 Å²	57.4	26%	0.259	30%	0.3	S	S	.	.			trans	-144	131.2	172.9	-172.1	0	0	0	0	109.3	S107 R109	S105-S107 WeakPolarHBondContact CB-O 2.98Å; S105-S107 PolarHBondContact O-N 2.96Å; S105-S107 PolarHBondContact OG-O 3.46Å; S105-R109 PolarHBondContact OG-O 3.08Å
106	P	76.3	Confident	79.4	Confident	15 Å²	15	56.5 Å²	56.5	10%	0.097	29%	0.293	C	S	.	.	S	Bend	trans	-69.5	-21.1	177.3	25.9	-30.9	0	0	0	112.4	V111 F129 S133 F150	P106-V111 HydrophobicContact CG-CB 3.83Å; P106-V111 HydrophobicContact CG-CG2 3.64Å; P106-F129 HydrophobicContact CB-CD2 4.25Å; P106-F129 HydrophobicContact CB-CE2 4.29Å; P106-F129 HydrophobicContact CG-CD1 4.08Å; P106-F129 HydrophobicContact CG-CD2 4.18Å; P106-F129 HydrophobicContact CG-CE1 4.25Å; P106-F129 HydrophobicContact CG-CE2 4.37Å; P106-F129 HydrophobicContact CG-CG 4.05Å; P106-F129 HydrophobicContact CG-CZ 4.4Å; P106-S133 WeakPolarHBondContact CB-OG 3.5Å; P106-S133 WeakPolarHBondContact CG-OG 3.46Å; P106-F150 HydrophobicContact CB-CD2 4.27Å; P106-F150 HydrophobicContact CB-CE2 3.53Å; P106-F150 HydrophobicContact CB-CZ 4.39Å
107	S	71.4	Confident	79.3	Confident	56 Å²	56	56.6 Å²	56.6	39%	0.392	29%	0.294	S	S	.	.	S	Bend	trans	-152.8	-179.2	-175.5	75.7	0	0	0	0	111.3	S105 R109	S105-S107 WeakPolarHBondContact CB-O 2.98Å; S105-S107 PolarHBondContact O-N 2.96Å; S105-S107 PolarHBondContact OG-O 3.46Å; S107-R109 PolarHBondContact O-N 3.38Å; S107-R109 VanDerWaalsContact O-N 3.15Å; S107-R109 PolarHBondContact OG-N 3.37Å; S107-R109 PolarHBondContact OG-O 3.08Å
108	N	73	Confident	79.3	Confident	177 Å²	177	52.2 Å²	52.2	95%	0.947	28%	0.276	S	S	*	.	S	Bend	trans	-63.4	-14.5	169.3	-75.7	-1.9	0	0	0	112.9
109	R	74.9	Confident	79.2	Confident	193 Å²	193	49.1 Å²	49.1	73%	0.728	26%	0.258	S	S	*	.	S	Bend	trans	-93.3	130.7	171.9	-171	-179.4	177	172.7	0.5	109.8	S105 S107	S105-R109 PolarHBondContact OG-O 3.08Å; S107-R109 PolarHBondContact O-N 3.38Å; S107-R109 VanDerWaalsContact O-N 3.15Å; S107-R109 PolarHBondContact OG-N 3.37Å; S107-R109 PolarHBondContact OG-O 3.08Å
110	P	74.9	Confident	78.8	Confident	32 Å²	32	50 Å²	50	21%	0.208	27%	0.265	C	S	.	.			trans	-63.1	135.7	171.7	22.5	-32.3	0	0	0	111.9	I78 N79	I78-P110 VanDerWaalsContact C-CB 3.46Å; I78-P110 HydrophobicContact CB-CB 3.41Å; I78-P110 VanDerWaalsContact CB-CB 3.41Å; I78-P110 HydrophobicContact CB-CG 3.44Å; I78-P110 VanDerWaalsContact CB-CG 3.44Å; I78-P110 HydrophobicContact CD1-CG 3.93Å; I78-P110 HydrophobicContact CG1-CG 4.21Å; I78-P110 HydrophobicContact CG2-CB 3.36Å; I78-P110 HydrophobicContact CG2-CG 3.46Å; I78-P110 VanDerWaalsContact CG2-CG 3.46Å; I78-P110 WeakPolarHBondContact O-CB 3.43Å; N79-P110 WeakPolarHBondContact OD1-CB 3.49Å
111	V	81.1	Confident	78.6	Confident	16 Å²	16	53.5 Å²	53.5	10%	0.097	29%	0.288	C	S	.	.			trans	-134.8	136.8	177.2	-172.2	0	0	0	0	109	P80 P106 V113 F129 D131	P80-V111 WeakPolarHBondContact CG-O 3.49Å; P106-V111 HydrophobicContact CG-CB 3.83Å; P106-V111 HydrophobicContact CG-CG2 3.64Å; V111-V113 PolarHBondContact O-N 3.11Å; V111-F129 HydrophobicContact CB-CB 4.44Å; V111-F129 HydrophobicContact CB-CD1 4.06Å; V111-F129 HydrophobicContact CG1-CB 3.81Å; V111-F129 HydrophobicContact CG1-CD1 4.25Å; V111-F129 HydrophobicContact CG1-CG 4.43Å; V111-F129 WeakPolarHBondContact O-CD1 3.44Å; V111-D131 HydrophobicContact CG1-CB 3.85Å
112	K	81.6	Confident	78.6	Confident	134 Å²	134	51.1 Å²	51.1	58%	0.583	27%	0.271	S	S	*	.			trans	-63.5	134.4	177	-69	-175.3	178.2	-176.7	0	111.2	F129 E130	K112-F129 WeakPolarHBondContact O-CA 3.25Å; K112-E130 HydrophobicContact CB-CG 4.02Å; K112-E130 PolarHBondContact O-N 3.36Å
113	V	83.2	Confident	78.7	Confident	11 Å²	11	53.1 Å²	53.1	7%	0.067	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	132.3	171.4	-172.9	0	0	0	0	108.9	L60 L71 P80 V111 I127 G128 F129	L60-V113 HydrophobicContact CD1-CB 4.24Å; L60-V113 HydrophobicContact CD1-CG1 3.43Å; L60-V113 VanDerWaalsContact CD1-CG1 3.43Å; L71-V113 HydrophobicContact CD2-CG2 4.27Å; P80-V113 HydrophobicContact CB-CG2 3.58Å; P80-V113 HydrophobicContact CG-CG2 3.51Å; V111-V113 PolarHBondContact O-N 3.11Å; V113-I127 HydrophobicContact CB-CG2 4.41Å; V113-I127 HydrophobicContact CG1-CG2 3.45Å; V113-I127 VanDerWaalsContact CG1-CG2 3.45Å; V113-I127 HydrophobicContact CG2-CG2 4.06Å; V113-G128 WeakPolarHBondContact CG1-O 3.42Å; V113-F129 HydrophobicContact CG2-CD1 4.14Å; V113-F129 HydrophobicContact CG2-CE1 3.69Å; V113-F129 HydrophobicContact CG2-CZ 4.42Å
114	S	80.4	Confident	79	Confident	33 Å²	33	47.3 Å²	47.3	23%	0.231	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	-19.5	-178.9	61.2	0	0	0	0	113.5	G128 F129 V158	S114-G128 PolarHBondContact N-O 3.38Å; S114-G128 PolarHBondContact OG-O 3.42Å; S114-F129 WeakPolarHBondContact OG-CA 3.32Å; S114-F129 PolarHBondContact OG-N 2.79Å; S114-F129 PolarHBondContact OG-O 3.2Å; S114-V158 CarbonylContact C-O 3.56Å; S114-V158 VanDerWaalsContact CB-O 3.25Å; S114-V158 WeakPolarHBondContact CB-O 3.38Å; S114-V158 PolarHBondContact OG-O 2.87Å
115	S	80.1	Confident	79.4	Confident	7 Å²	7	47.3 Å²	47.3	5%	0.049	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	155.1	175.7	52.7	0	0	0	0	112.7	G128 V158 L161	S115-G128 PolarHBondContact N-O 2.92Å; S115-G128 VanDerWaalsContact N-O 3.1Å; S115-G128 PolarHBondContact O-N 3.38Å; S115-G128 WeakPolarHBondContact OG-CA 3.44Å; S115-V158 WeakPolarHBondContact CB-O 3.48Å; S115-V158 VanDerWaalsContact OG-CG1 3.3Å; S115-V158 WeakPolarHBondContact OG-CG1 3.5Å; S115-V158 PolarHBondContact OG-O 2.94Å; S115-V158 VanDerWaalsContact OG-O 3.05Å; S115-L161 WeakPolarHBondContact OG-CD1 3.5Å; S115-L161 WeakPolarHBondContact OG-CG 3.31Å
116	L	83.3	Confident	79.8	Confident	20 Å²	20	45.6 Å²	45.6	11%	0.105	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	138	178	172.9	62.7	0	0	0	109.1	L60 L62 L71 M125 A126 I127	L60-L116 HydrophobicContact CD1-CB 4.08Å; L62-L116 HydrophobicContact CB-CD2 3.86Å; L62-L116 HydrophobicContact CB-CG 4.42Å; L71-L116 HydrophobicContact CB-CD2 4.23Å; L71-L116 HydrophobicContact CD1-CB 4.37Å; L71-L116 HydrophobicContact CD1-CD1 3.35Å; L71-L116 HydrophobicContact CD1-CD2 3.56Å; L71-L116 HydrophobicContact CD1-CG 3.92Å; L71-L116 HydrophobicContact CG-CD2 4.49Å; L116-M125 HydrophobicContact CD1-CG 3.84Å; L116-M125 HydrophobicContact CD1-SD 4.13Å; L116-A126 CarbonylContact C-O 3.52Å; L116-A126 WeakPolarHBondContact CA-O 3.46Å; L116-I127 HydrophobicContact CD1-CG1 4.03Å
117	A	81.8	Confident	80.3	Confident	7 Å²	7	44.9 Å²	44.9	6%	0.058	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	148.6	167.7	0	0	0	0	0	110.3	M125 A126 L161 F163	A117-M125 CarbonylContact O-C 3.59Å; A117-M125 VanDerWaalsContact O-CA 3.31Å; A117-M125 WeakPolarHBondContact O-CA 3.32Å; A117-A126 PolarHBondContact N-O 2.9Å; A117-A126 PolarHBondContact O-N 3.33Å; A117-L161 HydrophobicContact CB-CB 3.59Å; A117-F163 HydrophobicContact CB-CD2 4.02Å; A117-F163 HydrophobicContact CB-CE2 3.96Å
118	V	82.6	Confident	80.9	Confident	13 Å²	13	42.2 Å²	42.2	8%	0.079	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	138.6	172.8	178.2	0	0	0	0	107.6	L62 P64 T69 L122 L124 M125 V141	L62-V118 HydrophobicContact CD2-CB 3.43Å; L62-V118 VanDerWaalsContact CD2-CB 3.43Å; L62-V118 HydrophobicContact CD2-CG2 3.39Å; P64-V118 HydrophobicContact CG-CB 3.96Å; P64-V118 HydrophobicContact CG-CG1 3.94Å; T69-V118 HydrophobicContact CG2-CG2 4.21Å; V118-L122 HydrophobicContact CG1-CD2 3.92Å; V118-L124 WeakPolarHBondContact CA-O 3.37Å; V118-M125 HydrophobicContact CG2-CB 4.03Å; V118-M125 HydrophobicContact CG2-CG 3.79Å; V118-M125 HydrophobicContact CG2-SD 4.28Å; V118-V141 HydrophobicContact CG1-CG2 4.2Å
119	D	80	Confident	81.5	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.177	C	C	.	.			trans	-72.6	152.7	175.2	176.6	64.1	0	0	0	111.5	T121 L122 L124 F163 N165	D119-T121 PolarHBondContact O-N 2.9Å; D119-T121 VanDerWaalsContact O-N 3.15Å; D119-T121 VanDerWaalsContact OD2-CB 3.27Å; D119-T121 WeakPolarHBondContact OD2-CB 3.32Å; D119-T121 WeakPolarHBondContact OD2-CG2 3.3Å; D119-T121 PolarHBondContact OD2-N 3.34Å; D119-T121 PolarHBondContact OD2-OG1 3.48Å; D119-L122 PolarHBondContact O-N 3.05Å; D119-L124 HydrophobicContact CB-CB 3.82Å; D119-L124 PolarHBondContact N-O 2.7Å; D119-F163 HydrophobicContact CB-CB 4.19Å; D119-F163 HydrophobicContact CB-CD2 4.06Å; D119-F163 HydrophobicContact CB-CG 4.03Å; D119-N165 PolarHBondContact OD1-ND2 3.03Å; D119-N165 PolarHBondContact OD1-OD1 3.21Å
120	C	74.4	Confident	82	Confident	73 Å²	73	29.5 Å²	29.5	49%	0.493	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-23.2	-178.7	59.2	0	0	0	0	114.1	L122 N165	C120-L122 VanDerWaalsContact C-N 3.3Å; C120-N165 PolarHBondContact SG-ND2 3.18Å
121	T	77.1	Confident	82.4	Confident	81 Å²	81	30.7 Å²	30.7	50%	0.497	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-5	175.8	67.5	0	0	0	0	113.3	D119 T123	D119-T121 PolarHBondContact O-N 2.9Å; D119-T121 VanDerWaalsContact O-N 3.15Å; D119-T121 VanDerWaalsContact OD2-CB 3.27Å; D119-T121 WeakPolarHBondContact OD2-CB 3.32Å; D119-T121 WeakPolarHBondContact OD2-CG2 3.3Å; D119-T121 PolarHBondContact OD2-N 3.34Å; D119-T121 PolarHBondContact OD2-OG1 3.48Å; T121-T123 PolarHBondContact O-N 3.2Å; T121-T123 WeakPolarHBondContact OG1-CG2 3.16Å; T121-T123 PolarHBondContact OG1-N 2.92Å; T121-T123 PolarHBondContact OG1-OG1 2.86Å
122	L	79.8	Confident	82.5	Confident	8 Å²	8	30.4 Å²	30.4	4%	0.042	17%	0.169	C	C	.	.	S	Bend	trans	59.7	19.4	-174.6	-50.6	167.4	0	0	0	113.8	P64 V66 D67 V118 D119 C120 D140 V141	P64-L122 HydrophobicContact CB-CD2 3.89Å; P64-L122 HydrophobicContact CG-CD2 4.01Å; V66-L122 HydrophobicContact CB-CD1 4.18Å; V66-L122 HydrophobicContact CG1-CD1 4.05Å; D67-L122 HydrophobicContact CB-CD1 3.64Å; D67-L122 HydrophobicContact CB-CD2 4.39Å; V118-L122 HydrophobicContact CG1-CD2 3.92Å; D119-L122 PolarHBondContact O-N 3.05Å; C120-L122 VanDerWaalsContact C-N 3.3Å; L122-D140 WeakPolarHBondContact O-CA 3.37Å; L122-V141 VanDerWaalsContact O-CG2 3.28Å; L122-V141 WeakPolarHBondContact O-CG2 3.32Å; L122-V141 PolarHBondContact O-N 3.35Å
123	T	83.1	Confident	82.7	Confident	65 Å²	65	24 Å²	24	40%	0.399	14%	0.141	S	C	.	.	S	Bend	trans	-96.9	-11.5	178.5	64.4	0	0	0	0	113.4	T121 G139	T121-T123 PolarHBondContact O-N 3.2Å; T121-T123 WeakPolarHBondContact OG1-CG2 3.16Å; T121-T123 PolarHBondContact OG1-N 2.92Å; T121-T123 PolarHBondContact OG1-OG1 2.86Å; T123-G139 CarbonylContact C-O 3.59Å; T123-G139 VanDerWaalsContact CA-O 3.25Å; T123-G139 WeakPolarHBondContact CA-O 3.41Å; T123-G139 CarbonylContact O-C 3.58Å; T123-G139 PolarHBondContact O-N 3.33Å
124	L	85.4	Confident	82.9	Confident	15 Å²	15	23.8 Å²	23.8	8%	0.079	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	137.5	-179.3	-63.6	171.8	0	0	0	109.6	V118 D119 L136 Y137 R138 F163 T171 L186	V118-L124 WeakPolarHBondContact CA-O 3.37Å; D119-L124 HydrophobicContact CB-CB 3.82Å; D119-L124 PolarHBondContact N-O 2.7Å; L124-L136 HydrophobicContact CD2-CD1 4.4Å; L124-Y137 WeakPolarHBondContact CA-O 3.37Å; L124-R138 HydrophobicContact CD2-CB 4.18Å; L124-R138 HydrophobicContact CD2-CG 3.64Å; L124-F163 HydrophobicContact CB-CD1 4.38Å; L124-F163 HydrophobicContact CB-CE1 3.8Å; L124-F163 HydrophobicContact CB-CE2 4.41Å; L124-F163 HydrophobicContact CB-CZ 3.81Å; L124-F163 HydrophobicContact CD1-CD1 4.26Å; L124-F163 HydrophobicContact CD1-CE1 4.11Å; L124-T171 HydrophobicContact CD1-CG2 3.98Å; L124-L186 HydrophobicContact CD1-CD1 3.96Å
125	M	85.9	Confident	83.2	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	135	171.8	171.2	-176.8	76.2	0	0	109.2	L82 L116 A117 V118 I127 L136 Y137 V141	L82-M125 HydrophobicContact CD1-CE 4.4Å; L82-M125 HydrophobicContact CD1-SD 3.92Å; L82-M125 HydrophobicContact CD2-CE 3.4Å; L82-M125 HydrophobicContact CD2-SD 3.95Å; L116-M125 HydrophobicContact CD1-CG 3.84Å; L116-M125 HydrophobicContact CD1-SD 4.13Å; A117-M125 CarbonylContact O-C 3.59Å; A117-M125 VanDerWaalsContact O-CA 3.31Å; A117-M125 WeakPolarHBondContact O-CA 3.32Å; V118-M125 HydrophobicContact CG2-CB 4.03Å; V118-M125 HydrophobicContact CG2-CG 3.79Å; V118-M125 HydrophobicContact CG2-SD 4.28Å; M125-I127 HydrophobicContact CE-CD1 4.26Å; M125-L136 CarbonylContact O-C 3.59Å; M125-L136 WeakPolarHBondContact O-CA 3.4Å; M125-Y137 HydrophobicContact CE-CD1 3.85Å; M125-Y137 HydrophobicContact CE-CD2 3.24Å; M125-Y137 HydrophobicContact CE-CE1 4.1Å; M125-Y137 HydrophobicContact CE-CE2 3.59Å; M125-Y137 HydrophobicContact CE-CG 3.4Å; M125-Y137 PolarHBondContact N-O 3.33Å; M125-Y137 PolarHBondContact O-N 3.27Å; M125-V141 HydrophobicContact CB-CG2 3.72Å; M125-V141 HydrophobicContact SD-CG1 3.93Å
126	A	85.8	Confident	83.5	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.1	177.6	0	0	0	0	0	110	L116 A117 L134 L135 L136 L161 F163 L173	L116-A126 CarbonylContact C-O 3.52Å; L116-A126 WeakPolarHBondContact CA-O 3.46Å; A117-A126 PolarHBondContact N-O 2.9Å; A117-A126 PolarHBondContact O-N 3.33Å; A126-L134 HydrophobicContact CB-CD2 4.42Å; A126-L135 CarbonylContact C-O 3.5Å; A126-L135 VanDerWaalsContact CA-O 3.3Å; A126-L135 WeakPolarHBondContact CA-O 3.04Å; A126-L136 HydrophobicContact CB-CD1 4.38Å; A126-L161 HydrophobicContact CB-CD1 3.98Å; A126-F163 HydrophobicContact CB-CE2 4Å; A126-F163 HydrophobicContact CB-CZ 3.66Å; A126-L173 HydrophobicContact CB-CD1 3.93Å; A126-L173 HydrophobicContact CB-CD2 3.85Å
127	I	86.9	Confident	83.6	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.6	175.2	-53.9	-175.2	0	0	0	107.6	L71 T104 V113 L116 M125 F129 L134 L135 Y137	L71-I127 HydrophobicContact CD1-CD1 3.66Å; L71-I127 HydrophobicContact CD1-CG1 4.03Å; L71-I127 HydrophobicContact CD2-CD1 4.06Å; L71-I127 HydrophobicContact CG-CD1 4.48Å; T104-I127 HydrophobicContact CG2-CD1 3.64Å; V113-I127 HydrophobicContact CB-CG2 4.41Å; V113-I127 HydrophobicContact CG1-CG2 3.45Å; V113-I127 VanDerWaalsContact CG1-CG2 3.45Å; V113-I127 HydrophobicContact CG2-CG2 4.06Å; L116-I127 HydrophobicContact CD1-CG1 4.03Å; M125-I127 HydrophobicContact CE-CD1 4.26Å; I127-F129 HydrophobicContact CB-CE2 4.16Å; I127-F129 HydrophobicContact CB-CZ 4.34Å; I127-F129 HydrophobicContact CG2-CD2 4.47Å; I127-F129 HydrophobicContact CG2-CE1 4.23Å; I127-F129 HydrophobicContact CG2-CE2 3.75Å; I127-F129 HydrophobicContact CG2-CZ 3.61Å; I127-L134 CarbonylContact O-C 3.55Å; I127-L134 VanDerWaalsContact O-CA 3.28Å; I127-L134 WeakPolarHBondContact O-CA 3.49Å; I127-L135 HydrophobicContact CB-CB 4.38Å; I127-L135 PolarHBondContact N-O 3.44Å; I127-L135 PolarHBondContact O-N 2.91Å; I127-Y137 HydrophobicContact CD1-CD2 4.37Å; I127-Y137 HydrophobicContact CD1-CE2 3.49Å; I127-Y137 VanDerWaalsContact CD1-CE2 3.49Å; I127-Y137 HydrophobicContact CG1-CD2 4.39Å; I127-Y137 HydrophobicContact CG1-CE2 3.87Å
128	G	83.9	Confident	83.7	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	145.2	176.3	0	0	0	0	0	110.9	V113 S114 S115	V113-G128 WeakPolarHBondContact CG1-O 3.42Å; S114-G128 PolarHBondContact N-O 3.38Å; S114-G128 PolarHBondContact OG-O 3.42Å; S115-G128 PolarHBondContact N-O 2.92Å; S115-G128 VanDerWaalsContact N-O 3.1Å; S115-G128 PolarHBondContact O-N 3.38Å; S115-G128 WeakPolarHBondContact OG-CA 3.44Å
129	F	86.1	Confident	83.7	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	162.3	-174.4	-62.7	-91	0	0	0	112.3	P80 P106 V111 K112 V113 S114 I127 D131 S132 S133 L135 V158	P80-F129 HydrophobicContact CG-CE1 4.43Å; P106-F129 HydrophobicContact CB-CD2 4.25Å; P106-F129 HydrophobicContact CB-CE2 4.29Å; P106-F129 HydrophobicContact CG-CD1 4.08Å; P106-F129 HydrophobicContact CG-CD2 4.18Å; P106-F129 HydrophobicContact CG-CE1 4.25Å; P106-F129 HydrophobicContact CG-CE2 4.37Å; P106-F129 HydrophobicContact CG-CG 4.05Å; P106-F129 HydrophobicContact CG-CZ 4.4Å; V111-F129 HydrophobicContact CB-CB 4.44Å; V111-F129 HydrophobicContact CB-CD1 4.06Å; V111-F129 HydrophobicContact CG1-CB 3.81Å; V111-F129 HydrophobicContact CG1-CD1 4.25Å; V111-F129 HydrophobicContact CG1-CG 4.43Å; V111-F129 WeakPolarHBondContact O-CD1 3.44Å; K112-F129 WeakPolarHBondContact O-CA 3.25Å; V113-F129 HydrophobicContact CG2-CD1 4.14Å; V113-F129 HydrophobicContact CG2-CE1 3.69Å; V113-F129 HydrophobicContact CG2-CZ 4.42Å; S114-F129 WeakPolarHBondContact OG-CA 3.32Å; S114-F129 PolarHBondContact OG-N 2.79Å; S114-F129 PolarHBondContact OG-O 3.2Å; I127-F129 HydrophobicContact CB-CE2 4.16Å; I127-F129 HydrophobicContact CB-CZ 4.34Å; I127-F129 HydrophobicContact CG2-CD2 4.47Å; I127-F129 HydrophobicContact CG2-CE1 4.23Å; I127-F129 HydrophobicContact CG2-CE2 3.75Å; I127-F129 HydrophobicContact CG2-CZ 3.61Å; F129-D131 WeakPolarHBondContact CB-OD1 3.36Å; F129-D131 PolarHBondContact O-N 2.88Å; F129-S132 PolarHBondContact O-N 3Å; F129-S133 VanDerWaalsContact CB-OG 3.29Å; F129-S133 WeakPolarHBondContact CB-OG 3.49Å; F129-S133 WeakPolarHBondContact CD2-O 3.39Å; F129-S133 VanDerWaalsContact CD2-OG 3.22Å; F129-S133 WeakPolarHBondContact CD2-OG 2.95Å; F129-S133 WeakPolarHBondContact CG-OG 3.41Å; F129-S133 PolarHBondContact N-O 3.29Å; F129-L135 HydrophobicContact CE2-CB 4.12Å; F129-L135 HydrophobicContact CE2-CD1 3.63Å; F129-L135 HydrophobicContact CE2-CG 3.67Å; F129-L135 HydrophobicContact CZ-CD1 3.64Å; F129-L135 HydrophobicContact CZ-CG 4.22Å; F129-V158 PolarHBondContact O-N 3.47Å; F129-V158 VanDerWaalsContact O-N 3.16Å
130	E	84.1	Confident	83.8	Confident	103 Å²	103	25.6 Å²	25.6	48%	0.481	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-26.2	178.3	-72.8	-171.1	167.2	0	0	113.5	K112 S132 A157	K112-E130 HydrophobicContact CB-CG 4.02Å; K112-E130 PolarHBondContact O-N 3.36Å; E130-S132 PolarHBondContact O-N 2.96Å; E130-A157 HydrophobicContact CB-CB 4.3Å; E130-A157 HydrophobicContact CG-CB 4.36Å; E130-A157 VanDerWaalsContact O-CA 3.28Å; E130-A157 WeakPolarHBondContact O-CA 3.35Å; E130-A157 PolarHBondContact O-N 3.14Å
131	D	83.8	Confident	84.1	Confident	57 Å²	57	22.2 Å²	22.2	31%	0.305	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	12.4	179.3	77.9	-23.7	0	0	0	113.8	V111 F129 S133	V111-D131 HydrophobicContact CG1-CB 3.85Å; F129-D131 WeakPolarHBondContact CB-OD1 3.36Å; F129-D131 PolarHBondContact O-N 2.88Å; D131-S133 PolarHBondContact O-N 2.84Å; D131-S133 WeakPolarHBondContact OD1-CB 3.22Å; D131-S133 PolarHBondContact OD1-N 3.44Å; D131-S133 PolarHBondContact OD1-OG 3.48Å
132	S	83.4	Confident	84	Confident	11 Å²	11	22.9 Å²	22.9	8%	0.077	12%	0.12	C	C	.	.	S	Bend	trans	71.4	8.5	-175.1	-26.7	0	0	0	0	114.7	F129 E130 G156	F129-S132 PolarHBondContact O-N 3Å; E130-S132 PolarHBondContact O-N 2.96Å; S132-G156 WeakPolarHBondContact CB-O 3.12Å; S132-G156 PolarHBondContact OG-N 3.2Å; S132-G156 PolarHBondContact OG-O 3.31Å
133	S	85.9	Confident	84	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	154.2	173.4	66.2	0	0	0	0	112.1	P106 F129 D131 F150	P106-S133 WeakPolarHBondContact CB-OG 3.5Å; P106-S133 WeakPolarHBondContact CG-OG 3.46Å; F129-S133 VanDerWaalsContact CB-OG 3.29Å; F129-S133 WeakPolarHBondContact CB-OG 3.49Å; F129-S133 WeakPolarHBondContact CD2-O 3.39Å; F129-S133 VanDerWaalsContact CD2-OG 3.22Å; F129-S133 WeakPolarHBondContact CD2-OG 2.95Å; F129-S133 WeakPolarHBondContact CG-OG 3.41Å; F129-S133 PolarHBondContact N-O 3.29Å; D131-S133 PolarHBondContact O-N 2.84Å; D131-S133 WeakPolarHBondContact OD1-CB 3.22Å; D131-S133 PolarHBondContact OD1-N 3.44Å; D131-S133 PolarHBondContact OD1-OG 3.48Å; S133-F150 VanDerWaalsContact CB-CE2 3.48Å
134	L	86.2	Confident	83.2	Confident	6 Å²	6	32.4 Å²	32.4	3%	0.031	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	129.7	178.1	-170.5	156.8	0	0	0	108.8	A126 I127 L136 C151 L161 L173 A175 F184	A126-L134 HydrophobicContact CB-CD2 4.42Å; I127-L134 CarbonylContact O-C 3.55Å; I127-L134 VanDerWaalsContact O-CA 3.28Å; I127-L134 WeakPolarHBondContact O-CA 3.49Å; L134-L136 HydrophobicContact CD2-CB 4.22Å; L134-C151 HydrophobicContact CB-CB 4.07Å; L134-C151 HydrophobicContact CD2-CB 4.29Å; L134-C151 PolarHBondContact N-O 2.89Å; L134-C151 PolarHBondContact O-N 3.45Å; L134-L161 HydrophobicContact CD1-CD2 3.48Å; L134-L161 VanDerWaalsContact CD1-CD2 3.48Å; L134-L161 HydrophobicContact CG-CD2 4.34Å; L134-L173 HydrophobicContact CD1-CD2 4.05Å; L134-L173 HydrophobicContact CD2-CD2 3.87Å; L134-A175 HydrophobicContact CD1-CB 3.79Å; L134-F184 HydrophobicContact CD1-CE2 4.16Å
135	L	87.1	Confident	82.3	Confident	11 Å²	11	43 Å²	43	6%	0.058	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121	169.9	-71.1	175.6	0	0	0	109	A126 I127 F129 Y137 L148 F150	A126-L135 CarbonylContact C-O 3.5Å; A126-L135 VanDerWaalsContact CA-O 3.3Å; A126-L135 WeakPolarHBondContact CA-O 3.04Å; I127-L135 HydrophobicContact CB-CB 4.38Å; I127-L135 PolarHBondContact N-O 3.44Å; I127-L135 PolarHBondContact O-N 2.91Å; F129-L135 HydrophobicContact CE2-CB 4.12Å; F129-L135 HydrophobicContact CE2-CD1 3.63Å; F129-L135 HydrophobicContact CE2-CG 3.67Å; F129-L135 HydrophobicContact CZ-CD1 3.64Å; F129-L135 HydrophobicContact CZ-CG 4.22Å; L135-Y137 HydrophobicContact CB-CE2 4Å; L135-L148 HydrophobicContact CD2-CD2 4.44Å; L135-F150 HydrophobicContact CD2-CB 4.36Å; L135-F150 HydrophobicContact CD2-CD2 3.89Å
136	L	86.9	Confident	81.5	Confident	2 Å²	2	44 Å²	44	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.3	171.3	175.9	69.9	0	0	0	108.9	L124 M125 A126 L134 R138 L148 V149 F163 L173 L186	L124-L136 HydrophobicContact CD2-CD1 4.4Å; M125-L136 CarbonylContact O-C 3.59Å; M125-L136 WeakPolarHBondContact O-CA 3.4Å; A126-L136 HydrophobicContact CB-CD1 4.38Å; L134-L136 HydrophobicContact CD2-CB 4.22Å; L136-R138 HydrophobicContact CD2-CG 4.38Å; L136-R138 HydrophobicContact CG-CG 4.38Å; L136-L148 CarbonylContact O-C 3.49Å; L136-L148 WeakPolarHBondContact O-CA 3.32Å; L136-V149 HydrophobicContact CB-CB 4.28Å; L136-V149 PolarHBondContact N-O 2.73Å; L136-V149 PolarHBondContact O-N 2.93Å; L136-F163 HydrophobicContact CD1-CE1 3.93Å; L136-F163 HydrophobicContact CD1-CZ 3.83Å; L136-L173 HydrophobicContact CD1-CD2 4.39Å; L136-L186 HydrophobicContact CD1-CD1 4.1Å; L136-L186 HydrophobicContact CD2-CD1 3.9Å; L136-L186 HydrophobicContact CD2-CD2 3.56Å; L136-L186 HydrophobicContact CD2-CG 4.36Å
137	Y	85.9	Confident	80.5	Confident	6 Å²	6	46.6 Å²	46.6	2%	0.024	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.1	171.8	-64.6	-104.2	0	0	0	108.8	T104 L124 M125 I127 L135 L146 V147 L148	T104-Y137 WeakPolarHBondContact CG2-OH 3.19Å; L124-Y137 WeakPolarHBondContact CA-O 3.37Å; M125-Y137 HydrophobicContact CE-CD1 3.85Å; M125-Y137 HydrophobicContact CE-CD2 3.24Å; M125-Y137 HydrophobicContact CE-CE1 4.1Å; M125-Y137 HydrophobicContact CE-CE2 3.59Å; M125-Y137 HydrophobicContact CE-CG 3.4Å; M125-Y137 PolarHBondContact N-O 3.33Å; M125-Y137 PolarHBondContact O-N 3.27Å; I127-Y137 HydrophobicContact CD1-CD2 4.37Å; I127-Y137 HydrophobicContact CD1-CE2 3.49Å; I127-Y137 VanDerWaalsContact CD1-CE2 3.49Å; I127-Y137 HydrophobicContact CG1-CD2 4.39Å; I127-Y137 HydrophobicContact CG1-CE2 3.87Å; L135-Y137 HydrophobicContact CB-CE2 4Å; Y137-L146 HydrophobicContact CD1-CB 3.82Å; Y137-L146 HydrophobicContact CD1-CD1 3.8Å; Y137-L146 HydrophobicContact CD1-CG 4.41Å; Y137-L146 HydrophobicContact CG-CB 4.47Å; Y137-L146 HydrophobicContact CG-CD1 4.12Å; Y137-V147 CarbonylContact C-O 3.52Å; Y137-V147 WeakPolarHBondContact CA-O 3.31Å; Y137-L148 HydrophobicContact CD1-CD2 3.43Å; Y137-L148 VanDerWaalsContact CD1-CD2 3.43Å; Y137-L148 HydrophobicContact CD1-CG 4.09Å; Y137-L148 HydrophobicContact CD2-CD2 3.96Å; Y137-L148 HydrophobicContact CE1-CD1 4.36Å; Y137-L148 HydrophobicContact CE1-CD2 3.17Å; Y137-L148 HydrophobicContact CE1-CG 3.95Å; Y137-L148 HydrophobicContact CE2-CD2 3.68Å; Y137-L148 HydrophobicContact CG-CD2 3.84Å
138	R	84	Confident	79.7	Confident	29 Å²	29	51.3 Å²	51.3	11%	0.109	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134	171.4	-58.3	-165	159.4	102.7	-15.3	111.5	L124 L136 L146 V147 E190	L124-R138 HydrophobicContact CD2-CB 4.18Å; L124-R138 HydrophobicContact CD2-CG 3.64Å; L136-R138 HydrophobicContact CD2-CG 4.38Å; L136-R138 HydrophobicContact CG-CG 4.38Å; R138-L146 WeakPolarHBondContact O-CA 3.34Å; R138-L146 WeakPolarHBondContact O-CD2 3.23Å; R138-V147 HydrophobicContact CB-CB 4.28Å; R138-V147 PolarHBondContact N-O 2.97Å; R138-V147 PolarHBondContact O-N 3.33Å; R138-E190 PolarHBondContact NH1-O 3.2Å; R138-E190 VanDerWaalsContact NH1-O 3.1Å
139	G	82.3	Confident	79.1	Confident	31 Å²	31	52.8 Å²	52.8	32%	0.32	25%	0.251	S	S	.	.	S	Bend	trans	118	177.3	-175.3	0	0	0	0	0	112.1	T123 V141 L146	T123-G139 CarbonylContact C-O 3.59Å; T123-G139 VanDerWaalsContact CA-O 3.25Å; T123-G139 WeakPolarHBondContact CA-O 3.41Å; T123-G139 CarbonylContact O-C 3.58Å; T123-G139 PolarHBondContact O-N 3.33Å; G139-V141 PolarHBondContact O-N 3.09Å; G139-V141 VanDerWaalsContact O-N 3.13Å; G139-L146 WeakPolarHBondContact O-CD2 3.36Å
140	D	81.5	Confident	78.4	Confident	39 Å²	39	57.2 Å²	57.2	21%	0.209	27%	0.27	C	S	.	.			trans	-61.4	113.1	-179.4	-174.2	-21.1	0	0	0	111.4	L122 R142 K143 L146	L122-D140 WeakPolarHBondContact O-CA 3.37Å; D140-R142 PolarHBondContact O-N 3.29Å; D140-R142 WeakPolarHBondContact OD1-CB 3.45Å; D140-R142 IonicContact OD1-CZ 3.69Å; D140-R142 PolarHBondContact OD1-N 3.41Å; D140-R142 VanDerWaalsContact OD1-N 3.11Å; D140-R142 IonicContact OD1-NE 3.87Å; D140-R142 PolarHBondContact OD1-NE 2.83Å; D140-R142 IonicContact OD1-NH2 2.81Å; D140-R142 IonicContact OD2-CZ 3.57Å; D140-R142 IonicContact OD2-NE 3.42Å; D140-R142 PolarHBondContact OD2-NE 3.33Å; D140-R142 IonicContact OD2-NH2 2.83Å; D140-R142 PolarHBondContact OD2-NH2 3.49Å; D140-K143 HydrophobicContact CB-CD 4.03Å; D140-K143 HydrophobicContact CB-CG 4.05Å; D140-K143 WeakPolarHBondContact O-CB 3.47Å; D140-K143 PolarHBondContact O-N 3.4Å; D140-L146 WeakPolarHBondContact O-CD2 3.24Å
141	V	81.1	Confident	77.6	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.012	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-24.3	-173.4	173.8	0	0	0	0	113.2	T69 V84 R100 V118 L122 M125 G139 K143	T69-V141 HydrophobicContact CG2-CG1 3.52Å; V84-V141 HydrophobicContact CG2-CG1 4.24Å; R100-V141 WeakPolarHBondContact CD-O 3.13Å; R100-V141 PolarHBondContact NH1-O 2.85Å; V118-V141 HydrophobicContact CG1-CG2 4.2Å; L122-V141 VanDerWaalsContact O-CG2 3.28Å; L122-V141 WeakPolarHBondContact O-CG2 3.32Å; L122-V141 PolarHBondContact O-N 3.35Å; M125-V141 HydrophobicContact CB-CG2 3.72Å; M125-V141 HydrophobicContact SD-CG1 3.93Å; G139-V141 PolarHBondContact O-N 3.09Å; G139-V141 VanDerWaalsContact O-N 3.13Å; V141-K143 VanDerWaalsContact C-N 3.32Å
142	R	75.9	Confident	76.8	Confident	95 Å²	95	58.7 Å²	58.7	36%	0.358	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-21.6	177	-59.7	170.6	-65.3	-170.3	8.6	113.1	D67 V84 V99 D140	D67-R142 WeakPolarHBondContact OD2-CD 3.16Å; D67-R142 IonicContact OD2-CZ 3.46Å; D67-R142 IonicContact OD2-NE 3.77Å; D67-R142 IonicContact OD2-NH1 3.75Å; D67-R142 PolarHBondContact OD2-NH1 3.17Å; V84-R142 HydrophobicContact CG1-CG 4.46Å; V99-R142 HydrophobicContact CG1-CB 4.17Å; D140-R142 PolarHBondContact O-N 3.29Å; D140-R142 WeakPolarHBondContact OD1-CB 3.45Å; D140-R142 IonicContact OD1-CZ 3.69Å; D140-R142 PolarHBondContact OD1-N 3.41Å; D140-R142 VanDerWaalsContact OD1-N 3.11Å; D140-R142 IonicContact OD1-NE 3.87Å; D140-R142 PolarHBondContact OD1-NE 2.83Å; D140-R142 IonicContact OD1-NH2 2.81Å; D140-R142 IonicContact OD2-CZ 3.57Å; D140-R142 IonicContact OD2-NE 3.42Å; D140-R142 PolarHBondContact OD2-NE 3.33Å; D140-R142 IonicContact OD2-NH2 2.83Å; D140-R142 PolarHBondContact OD2-NH2 3.49Å
143	K	77.9	Confident	75.8	Confident	134 Å²	134	63.2 Å²	63.2	58%	0.583	29%	0.29	S	S	*	.	S	Bend	trans	-89.4	147.3	179.8	-61	-176.5	-175.4	178	0	110.7	D140 V141	D140-K143 HydrophobicContact CB-CD 4.03Å; D140-K143 HydrophobicContact CB-CG 4.05Å; D140-K143 WeakPolarHBondContact O-CB 3.47Å; D140-K143 PolarHBondContact O-N 3.4Å; V141-K143 VanDerWaalsContact C-N 3.32Å
144	E	67.1	Low	74.7	Confident	139 Å²	139	65 Å²	65	65%	0.65	31%	0.308	S	S	*	.	S	Bend	trans	-69.4	-34.7	178.2	-69.9	-174.8	158.4	0	0	113.2	R100 L146	R100-E144 HydrophobicContact CG-CG 4.35Å; E144-L146 PolarHBondContact O-N 3.39Å
145	R	66.5	Low	73.9	Confident	238 Å²	238	71.8 Å²	71.8	90%	0.898	34%	0.337	S	S	*	.			trans	-86.5	96	-176.1	-67.3	-174.9	-179	179.3	0.5	111
146	L	69.5	Low	73.4	Confident	22 Å²	22	72.1 Å²	72.1	12%	0.115	34%	0.344	C	S	.	.			trans	-122.4	143.8	174.8	-65.5	-175.5	0	0	0	111.3	Y137 R138 G139 D140 E144 L148	Y137-L146 HydrophobicContact CD1-CB 3.82Å; Y137-L146 HydrophobicContact CD1-CD1 3.8Å; Y137-L146 HydrophobicContact CD1-CG 4.41Å; Y137-L146 HydrophobicContact CG-CB 4.47Å; Y137-L146 HydrophobicContact CG-CD1 4.12Å; R138-L146 WeakPolarHBondContact O-CA 3.34Å; R138-L146 WeakPolarHBondContact O-CD2 3.23Å; G139-L146 WeakPolarHBondContact O-CD2 3.36Å; D140-L146 WeakPolarHBondContact O-CD2 3.24Å; E144-L146 PolarHBondContact O-N 3.39Å; L146-L148 PolarHBondContact O-N 3.13Å
147	V	64.9	Low	73.1	Confident	53 Å²	53	73.1 Å²	73.1	32%	0.321	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	118.2	174.7	179.3	0	0	0	0	108.5	Y137 R138 V149	Y137-V147 CarbonylContact C-O 3.52Å; Y137-V147 WeakPolarHBondContact CA-O 3.31Å; R138-V147 HydrophobicContact CB-CB 4.28Å; R138-V147 PolarHBondContact N-O 2.97Å; R138-V147 PolarHBondContact O-N 3.33Å; V147-V149 HydrophobicContact CG1-CG2 4.44Å
148	L	69.9	Low	72.8	Confident	99 Å²	99	73 Å²	73	52%	0.518	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	118.8	-179.7	-81.1	166.7	0	0	0	110.3	L135 L136 Y137 L146	L135-L148 HydrophobicContact CD2-CD2 4.44Å; L136-L148 CarbonylContact O-C 3.49Å; L136-L148 WeakPolarHBondContact O-CA 3.32Å; Y137-L148 HydrophobicContact CD1-CD2 3.43Å; Y137-L148 VanDerWaalsContact CD1-CD2 3.43Å; Y137-L148 HydrophobicContact CD1-CG 4.09Å; Y137-L148 HydrophobicContact CD2-CD2 3.96Å; Y137-L148 HydrophobicContact CE1-CD1 4.36Å; Y137-L148 HydrophobicContact CE1-CD2 3.17Å; Y137-L148 HydrophobicContact CE1-CG 3.95Å; Y137-L148 HydrophobicContact CE2-CD2 3.68Å; Y137-L148 HydrophobicContact CG-CD2 3.84Å; L146-L148 PolarHBondContact O-N 3.13Å
149	V	71.4	Confident	72.5	Confident	32 Å²	32	74.2 Å²	74.2	19%	0.194	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	117.8	171.9	-178.6	0	0	0	0	109.1	L136 V147 V193	L136-V149 HydrophobicContact CB-CB 4.28Å; L136-V149 PolarHBondContact N-O 2.73Å; L136-V149 PolarHBondContact O-N 2.93Å; V147-V149 HydrophobicContact CG1-CG2 4.44Å; V149-V193 HydrophobicContact CG1-CG2 4.29Å
150	F	70.9	Confident	72.1	Confident	92 Å²	92	73.1 Å²	73.1	40%	0.404	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	125.6	176.1	-178.8	-115.2	0	0	0	110.7	P106 S133 L135 R152	P106-F150 HydrophobicContact CB-CD2 4.27Å; P106-F150 HydrophobicContact CB-CE2 3.53Å; P106-F150 HydrophobicContact CB-CZ 4.39Å; S133-F150 VanDerWaalsContact CB-CE2 3.48Å; L135-F150 HydrophobicContact CD2-CB 4.36Å; L135-F150 HydrophobicContact CD2-CD2 3.89Å; F150-R152 HydrophobicContact CD1-CB 4.18Å; F150-R152 HydrophobicContact CE1-CB 3.37Å; F150-R152 HydrophobicContact CE1-CG 4.27Å; F150-R152 HydrophobicContact CE2-CB 4.4Å; F150-R152 HydrophobicContact CZ-CB 3.52Å; F150-R152 HydrophobicContact CZ-CG 4.15Å
151	C	67.4	Low	71.9	Confident	20 Å²	20	72 Å²	72	14%	0.135	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	101.8	175.5	-78.5	0	0	0	0	108.7	L134 F184	L134-C151 HydrophobicContact CB-CB 4.07Å; L134-C151 HydrophobicContact CD2-CB 4.29Å; L134-C151 PolarHBondContact N-O 2.89Å; L134-C151 PolarHBondContact O-N 3.45Å; C151-F184 HydrophobicContact CB-CE1 4.36Å; C151-F184 HydrophobicContact CB-CZ 4.39Å
152	R	67.6	Low	71.7	Confident	172 Å²	172	72.3 Å²	72.3	65%	0.649	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.9	91.3	173.9	-175.7	-178	-170	-178.1	2.8	109.7	F150	F150-R152 HydrophobicContact CD1-CB 4.18Å; F150-R152 HydrophobicContact CE1-CB 3.37Å; F150-R152 HydrophobicContact CE1-CG 4.27Å; F150-R152 HydrophobicContact CE2-CB 4.4Å; F150-R152 HydrophobicContact CZ-CB 3.52Å; F150-R152 HydrophobicContact CZ-CG 4.15Å
153	Q	61.9	Low	71.8	Confident	105 Å²	105	68 Å²	68	49%	0.491	33%	0.332	S	S	.	.			trans	-150.6	106.7	174	-66.5	-163.1	8.2	0	0	108.9	M182 K195	Q153-M182 WeakPolarHBondContact O-CE 3.39Å; Q153-K195 VanDerWaalsContact OE1-CE 3.31Å
154	G	62.9	Low	71.7	Confident	37 Å²	37	65.8 Å²	65.8	38%	0.381	32%	0.324	S	S	.	.			trans	159.3	171.6	178.1	0	0	0	0	0	112.1
155	K	70.4	Confident	72.1	Confident	149 Å²	149	61.9 Å²	61.9	65%	0.648	31%	0.308	S	S	*	.	S	Bend	trans	-123.8	138.2	163.4	-73	-176.2	178.6	-178.5	0	107.4	T177 Q179	K155-T177 PolarHBondContact O-OG1 3.42Å; K155-Q179 WeakPolarHBondContact O-CB 3.21Å
156	G	76.1	Confident	72.5	Confident	19 Å²	19	56.1 Å²	56.1	20%	0.196	29%	0.294	C	S	.	.	S	Bend	trans	88.8	151.7	178.8	0	0	0	0	0	114.5	S132 T177 T178	S132-G156 WeakPolarHBondContact CB-O 3.12Å; S132-G156 PolarHBondContact OG-N 3.2Å; S132-G156 PolarHBondContact OG-O 3.31Å; G156-T177 WeakPolarHBondContact O-CB 3.24Å; G156-T178 VanDerWaalsContact CA-OG1 3.23Å; G156-T178 WeakPolarHBondContact CA-OG1 3.19Å
157	A	80.4	Confident	72.8	Confident	23 Å²	23	57.2 Å²	57.2	19%	0.19	30%	0.304	C	S	.	.			trans	-53.4	139.7	-179.3	0	0	0	0	0	112.8	E130 V159 T177 T178	E130-A157 HydrophobicContact CB-CB 4.3Å; E130-A157 HydrophobicContact CG-CB 4.36Å; E130-A157 VanDerWaalsContact O-CA 3.28Å; E130-A157 WeakPolarHBondContact O-CA 3.35Å; E130-A157 PolarHBondContact O-N 3.14Å; A157-V159 PolarHBondContact O-N 3.22Å; A157-T177 CarbonylContact O-C 3.59Å; A157-T177 WeakPolarHBondContact O-CA 3.43Å; A157-T177 WeakPolarHBondContact O-CB 3.23Å; A157-T178 HydrophobicContact CB-CG2 4.49Å; A157-T178 PolarHBondContact O-N 3.35Å
158	V	79.2	Confident	73.3	Confident	2 Å²	2	61 Å²	61	1%	0.012	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	107.2	173	-171.5	0	0	0	0	108.6	S114 S115 F129 L161 V176 T177	S114-V158 CarbonylContact C-O 3.56Å; S114-V158 VanDerWaalsContact CB-O 3.25Å; S114-V158 WeakPolarHBondContact CB-O 3.38Å; S114-V158 PolarHBondContact OG-O 2.87Å; S115-V158 WeakPolarHBondContact CB-O 3.48Å; S115-V158 VanDerWaalsContact OG-CG1 3.3Å; S115-V158 WeakPolarHBondContact OG-CG1 3.5Å; S115-V158 PolarHBondContact OG-O 2.94Å; S115-V158 VanDerWaalsContact OG-O 3.05Å; F129-V158 PolarHBondContact O-N 3.47Å; F129-V158 VanDerWaalsContact O-N 3.16Å; V158-L161 HydrophobicContact CG1-CD1 4.46Å; V158-L161 HydrophobicContact CG1-CD2 3.88Å; V158-L161 HydrophobicContact CG1-CG 3.96Å; V158-V176 CarbonylContact C-O 3.52Å; V158-T177 HydrophobicContact CG2-CG2 4.33Å
159	V	78	Confident	73.7	Confident	55 Å²	55	61.5 Å²	61.5	33%	0.333	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-13	-174.7	-66.8	0	0	0	0	113.4	A157 V176 T178 V225	A157-V159 PolarHBondContact O-N 3.22Å; V159-V176 HydrophobicContact CG2-CB 4.35Å; V159-V176 HydrophobicContact CG2-CG1 3.96Å; V159-V176 WeakPolarHBondContact CG2-O 3.39Å; V159-V176 PolarHBondContact N-O 2.88Å; V159-T178 HydrophobicContact CG1-CG2 3.66Å; V159-V225 HydrophobicContact CG2-CG1 4.42Å
160	G	74.3	Confident	74.2	Confident	9 Å²	9	61.8 Å²	61.8	9%	0.093	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	139.5	-179.7	0	0	0	0	0	112.5	A175 V176	G160-A175 WeakPolarHBondContact O-CA 3.46Å; G160-V176 PolarHBondContact N-O 3.45Å; G160-V176 VanDerWaalsContact N-O 3.15Å; G160-V176 PolarHBondContact O-N 3.36Å
161	L	76.6	Confident	74.7	Confident	14 Å²	14	58.1 Å²	58.1	7%	0.073	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	140.9	175.2	-70.1	171.9	0	0	0	109.6	S115 A117 A126 L134 V158 L173 Y174 A175	S115-L161 WeakPolarHBondContact OG-CD1 3.5Å; S115-L161 WeakPolarHBondContact OG-CG 3.31Å; A117-L161 HydrophobicContact CB-CB 3.59Å; A126-L161 HydrophobicContact CB-CD1 3.98Å; L134-L161 HydrophobicContact CD1-CD2 3.48Å; L134-L161 VanDerWaalsContact CD1-CD2 3.48Å; L134-L161 HydrophobicContact CG-CD2 4.34Å; V158-L161 HydrophobicContact CG1-CD1 4.46Å; V158-L161 HydrophobicContact CG1-CD2 3.88Å; V158-L161 HydrophobicContact CG1-CG 3.96Å; L161-L173 HydrophobicContact CD2-CD1 4.17Å; L161-Y174 WeakPolarHBondContact CA-O 3.22Å; L161-A175 HydrophobicContact CD2-CB 3.69Å
162	A	77.4	Confident	75.3	Confident	10 Å²	10	58.2 Å²	58.2	8%	0.083	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	133	178.5	0	0	0	0	0	111.7	L173 Y174 S223	A162-L173 CarbonylContact O-C 3.44Å; A162-L173 WeakPolarHBondContact O-CA 3.29Å; A162-Y174 PolarHBondContact N-O 3.36Å; A162-Y174 PolarHBondContact O-N 3.42Å; A162-S223 WeakPolarHBondContact CB-OG 3.29Å
163	F	76.9	Confident	75.9	Confident	3 Å²	3	50.1 Å²	50.1	1%	0.013	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	139.5	167.9	-68.2	-77.8	0	0	0	111	A117 D119 L124 A126 L136 T171 I172 L173 L186 T221	A117-F163 HydrophobicContact CB-CD2 4.02Å; A117-F163 HydrophobicContact CB-CE2 3.96Å; D119-F163 HydrophobicContact CB-CB 4.19Å; D119-F163 HydrophobicContact CB-CD2 4.06Å; D119-F163 HydrophobicContact CB-CG 4.03Å; L124-F163 HydrophobicContact CB-CD1 4.38Å; L124-F163 HydrophobicContact CB-CE1 3.8Å; L124-F163 HydrophobicContact CB-CE2 4.41Å; L124-F163 HydrophobicContact CB-CZ 3.81Å; L124-F163 HydrophobicContact CD1-CD1 4.26Å; L124-F163 HydrophobicContact CD1-CE1 4.11Å; A126-F163 HydrophobicContact CB-CE2 4Å; A126-F163 HydrophobicContact CB-CZ 3.66Å; L136-F163 HydrophobicContact CD1-CE1 3.93Å; L136-F163 HydrophobicContact CD1-CZ 3.83Å; F163-T171 HydrophobicContact CB-CG2 4.15Å; F163-T171 HydrophobicContact CD1-CG2 3.8Å; F163-T171 HydrophobicContact CG-CG2 4.43Å; F163-I172 CarbonylContact C-O 3.46Å; F163-L173 HydrophobicContact CD1-CB 4.15Å; F163-L173 HydrophobicContact CD1-CD1 4.06Å; F163-L173 HydrophobicContact CE1-CB 4.04Å; F163-L173 HydrophobicContact CE1-CD1 3.85Å; F163-L173 HydrophobicContact CE1-CD2 4.41Å; F163-L173 HydrophobicContact CE1-CG 4.33Å; F163-L173 HydrophobicContact CE2-CD1 4.36Å; F163-L173 HydrophobicContact CG-CD1 4.42Å; F163-L173 HydrophobicContact CZ-CD1 4.02Å; F163-L186 HydrophobicContact CD1-CD1 4.25Å; F163-L186 HydrophobicContact CE1-CD1 3.77Å; F163-T221 WeakPolarHBondContact O-CB 3.49Å; F163-T221 PolarHBondContact O-OG1 3.25Å; F163-T221 VanDerWaalsContact O-OG1 3.11Å
164	H	76.4	Confident	76.6	Confident	88 Å²	88	48.8 Å²	48.8	41%	0.407	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	114.1	172.8	-177.7	62.6	0	0	0	109.9	L166 I172 Y174	H164-L166 PolarHBondContact O-N 3.5Å; H164-I172 PolarHBondContact N-O 3.22Å; H164-I172 PolarHBondContact O-N 3.48Å; H164-Y174 HydrophobicContact CB-CD2 4.3Å; H164-Y174 HydrophobicContact CB-CE2 3.77Å
165	N	76.4	Confident	77.3	Confident	58 Å²	58	47.1 Å²	47.1	31%	0.31	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	109.7	176.9	-65	-37.3	0	0	0	109.2	D119 C120 T171	D119-N165 PolarHBondContact OD1-ND2 3.03Å; D119-N165 PolarHBondContact OD1-OD1 3.21Å; C120-N165 PolarHBondContact SG-ND2 3.18Å; N165-T171 WeakPolarHBondContact OD1-CB 3.25Å; N165-T171 WeakPolarHBondContact OD1-CG2 3.2Å; N165-T171 PolarHBondContact OD1-OG1 3.41Å
166	L	73.6	Confident	77.5	Confident	116 Å²	116	41.4 Å²	41.4	61%	0.607	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85	-39.4	178.8	-177.3	69.5	0	0	0	110.7	H164 T170 I172	H164-L166 PolarHBondContact O-N 3.5Å; L166-T170 HydrophobicContact CD2-CG2 4.49Å; L166-T170 PolarHBondContact N-O 3.16Å; L166-I172 HydrophobicContact CD2-CD1 4.37Å
167	S	75.4	Confident	77.4	Confident	45 Å²	45	40.8 Å²	40.8	32%	0.315	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	166.5	177.5	75.6	0	0	0	0	108.3	D169 T170	S167-D169 PolarHBondContact O-N 2.75Å; S167-D169 VanDerWaalsContact O-N 3.11Å; S167-D169 PolarHBondContact OG-N 2.87Å; S167-T170 PolarHBondContact N-O 3.04Å; S167-T170 PolarHBondContact O-N 3.13Å; S167-T170 VanDerWaalsContact OG-CB 3.27Å; S167-T170 WeakPolarHBondContact OG-CB 3.29Å; S167-T170 PolarHBondContact OG-N 3.26Å; S167-T170 VanDerWaalsContact OG-N 3.14Å; S167-T170 PolarHBondContact OG-OG1 3.29Å
168	P	76.3	Confident	77	Confident	133 Å²	133	43.8 Å²	43.8	86%	0.864	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-27.6	176.3	18.3	-31.5	0	0	0	114
169	D	78.7	Confident	76.5	Confident	109 Å²	109	49.3 Å²	49.3	58%	0.583	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-1.9	-177.8	-61.8	-40.4	0	0	0	114	S167	S167-D169 PolarHBondContact O-N 2.75Å; S167-D169 VanDerWaalsContact O-N 3.11Å; S167-D169 PolarHBondContact OG-N 2.87Å
170	T	80.6	Confident	76	Confident	38 Å²	38	49.7 Å²	49.7	23%	0.233	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	114.5	-174.5	-54.1	0	0	0	0	111.4	L166 S167 V185	L166-T170 HydrophobicContact CD2-CG2 4.49Å; L166-T170 PolarHBondContact N-O 3.16Å; S167-T170 PolarHBondContact N-O 3.04Å; S167-T170 PolarHBondContact O-N 3.13Å; S167-T170 VanDerWaalsContact OG-CB 3.27Å; S167-T170 WeakPolarHBondContact OG-CB 3.29Å; S167-T170 PolarHBondContact OG-N 3.26Å; S167-T170 VanDerWaalsContact OG-N 3.14Å; S167-T170 PolarHBondContact OG-OG1 3.29Å; T170-V185 HydrophobicContact CG2-CG1 3.66Å
171	T	82.4	Confident	75.8	Confident	16 Å²	16	50.4 Å²	50.4	10%	0.098	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	136.9	174.1	-55.4	0	0	0	0	109.2	L124 F163 N165 L186	L124-T171 HydrophobicContact CD1-CG2 3.98Å; F163-T171 HydrophobicContact CB-CG2 4.15Å; F163-T171 HydrophobicContact CD1-CG2 3.8Å; F163-T171 HydrophobicContact CG-CG2 4.43Å; N165-T171 WeakPolarHBondContact OD1-CB 3.25Å; N165-T171 WeakPolarHBondContact OD1-CG2 3.2Å; N165-T171 PolarHBondContact OD1-OG1 3.41Å; T171-L186 PolarHBondContact N-O 2.94Å; T171-L186 WeakPolarHBondContact O-CA 3.43Å; T171-L186 VanDerWaalsContact O-CB 3.24Å; T171-L186 WeakPolarHBondContact O-CB 3.19Å; T171-L186 PolarHBondContact O-N 3.04Å
172	I	79.2	Confident	75.5	Confident	21 Å²	21	50 Å²	50	11%	0.108	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	123.9	173	-57.4	177.6	0	0	0	108.3	F163 H164 L166 Y174 F184 V185	F163-I172 CarbonylContact C-O 3.46Å; H164-I172 PolarHBondContact N-O 3.22Å; H164-I172 PolarHBondContact O-N 3.48Å; L166-I172 HydrophobicContact CD2-CD1 4.37Å; I172-Y174 HydrophobicContact CB-CE2 4.14Å; I172-Y174 HydrophobicContact CG2-CD1 4.43Å; I172-Y174 HydrophobicContact CG2-CD2 4.12Å; I172-Y174 HydrophobicContact CG2-CE1 4.03Å; I172-Y174 HydrophobicContact CG2-CE2 3.69Å; I172-Y174 HydrophobicContact CG2-CG 4.48Å; I172-F184 WeakPolarHBondContact CA-O 3.28Å; I172-V185 HydrophobicContact CG1-CG2 4.49Å
173	L	80.8	Confident	75.4	Confident	2 Å²	2	50 Å²	50	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	118	167.2	172.1	64.4	0	0	0	109.2	A126 L134 L136 L161 A162 F163 S183 F184 L186	A126-L173 HydrophobicContact CB-CD1 3.93Å; A126-L173 HydrophobicContact CB-CD2 3.85Å; L134-L173 HydrophobicContact CD1-CD2 4.05Å; L134-L173 HydrophobicContact CD2-CD2 3.87Å; L136-L173 HydrophobicContact CD1-CD2 4.39Å; L161-L173 HydrophobicContact CD2-CD1 4.17Å; A162-L173 CarbonylContact O-C 3.44Å; A162-L173 WeakPolarHBondContact O-CA 3.29Å; F163-L173 HydrophobicContact CD1-CB 4.15Å; F163-L173 HydrophobicContact CD1-CD1 4.06Å; F163-L173 HydrophobicContact CE1-CB 4.04Å; F163-L173 HydrophobicContact CE1-CD1 3.85Å; F163-L173 HydrophobicContact CE1-CD2 4.41Å; F163-L173 HydrophobicContact CE1-CG 4.33Å; F163-L173 HydrophobicContact CE2-CD1 4.36Å; F163-L173 HydrophobicContact CG-CD1 4.42Å; F163-L173 HydrophobicContact CZ-CD1 4.02Å; L173-S183 CarbonylContact O-C 3.43Å; L173-S183 WeakPolarHBondContact O-CA 3.32Å; L173-F184 HydrophobicContact CB-CB 4.26Å; L173-F184 HydrophobicContact CD2-CD2 4.35Å; L173-F184 HydrophobicContact CG-CD2 4.4Å; L173-F184 PolarHBondContact N-O 3.12Å; L173-F184 PolarHBondContact O-N 3.29Å; L173-L186 HydrophobicContact CB-CD1 4.02Å; L173-L186 HydrophobicContact CB-CG 4.37Å
174	Y	77.1	Confident	75.5	Confident	78 Å²	78	50.3 Å²	50.3	31%	0.306	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	130.3	169.2	-64.8	-81.5	0	0	0	109.6	L161 A162 H164 I172 M182	L161-Y174 WeakPolarHBondContact CA-O 3.22Å; A162-Y174 PolarHBondContact N-O 3.36Å; A162-Y174 PolarHBondContact O-N 3.42Å; H164-Y174 HydrophobicContact CB-CD2 4.3Å; H164-Y174 HydrophobicContact CB-CE2 3.77Å; I172-Y174 HydrophobicContact CB-CE2 4.14Å; I172-Y174 HydrophobicContact CG2-CD1 4.43Å; I172-Y174 HydrophobicContact CG2-CD2 4.12Å; I172-Y174 HydrophobicContact CG2-CE1 4.03Å; I172-Y174 HydrophobicContact CG2-CE2 3.69Å; I172-Y174 HydrophobicContact CG2-CG 4.48Å; Y174-M182 WeakPolarHBondContact CA-O 3.43Å
175	A	76.8	Confident	75.7	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.008	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.9	174.6	0	0	0	0	0	109.8	L134 G160 L161 M182 F184	L134-A175 HydrophobicContact CD1-CB 3.79Å; G160-A175 WeakPolarHBondContact O-CA 3.46Å; L161-A175 HydrophobicContact CD2-CB 3.69Å; A175-M182 PolarHBondContact N-O 3.24Å; A175-M182 PolarHBondContact O-N 3.29Å; A175-F184 HydrophobicContact CB-CD2 4.42Å; A175-F184 HydrophobicContact CB-CE2 3.87Å
176	V	75.8	Confident	76	Confident	29 Å²	29	45.7 Å²	45.7	18%	0.176	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	121.6	177.9	-176	0	0	0	0	107.7	V158 V159 G160 T181	V158-V176 CarbonylContact C-O 3.52Å; V159-V176 HydrophobicContact CG2-CB 4.35Å; V159-V176 HydrophobicContact CG2-CG1 3.96Å; V159-V176 WeakPolarHBondContact CG2-O 3.39Å; V159-V176 PolarHBondContact N-O 2.88Å; G160-V176 PolarHBondContact N-O 3.45Å; G160-V176 VanDerWaalsContact N-O 3.15Å; G160-V176 PolarHBondContact O-N 3.36Å; V176-T181 HydrophobicContact CG2-CG2 4.12Å
177	T	73.1	Confident	76	Confident	7 Å²	7	41 Å²	41	4%	0.043	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	172.8	168.1	81.7	0	0	0	0	110.4	K155 G156 A157 V158 Q179 L180 M182	K155-T177 PolarHBondContact O-OG1 3.42Å; G156-T177 WeakPolarHBondContact O-CB 3.24Å; A157-T177 CarbonylContact O-C 3.59Å; A157-T177 WeakPolarHBondContact O-CA 3.43Å; A157-T177 WeakPolarHBondContact O-CB 3.23Å; V158-T177 HydrophobicContact CG2-CG2 4.33Å; T177-Q179 PolarHBondContact O-N 3.08Å; T177-Q179 VanDerWaalsContact O-N 3.08Å; T177-Q179 PolarHBondContact OG1-N 3.2Å; T177-Q179 VanDerWaalsContact OG1-N 3.11Å; T177-L180 PolarHBondContact N-O 2.69Å; T177-L180 PolarHBondContact OG1-N 3.06Å; T177-L180 PolarHBondContact OG1-O 2.93Å; T177-M182 HydrophobicContact CG2-CE 4.05Å
178	T	72.5	Confident	75.6	Confident	86 Å²	86	43.5 Å²	43.5	53%	0.528	25%	0.251	S	S	.	.	S	Bend	trans	-61.5	-11.1	171.2	51	0	0	0	0	114.1	G156 A157 V159	G156-T178 VanDerWaalsContact CA-OG1 3.23Å; G156-T178 WeakPolarHBondContact CA-OG1 3.19Å; A157-T178 HydrophobicContact CB-CG2 4.49Å; A157-T178 PolarHBondContact O-N 3.35Å; V159-T178 HydrophobicContact CG1-CG2 3.66Å
179	Q	67.9	Low	75	Confident	118 Å²	118	44 Å²	44	55%	0.551	24%	0.24	S	C	*	.	S	Bend	trans	-124.6	-27.6	-177.4	-55.6	-172.2	12.1	0	0	114.3	K155 T177	K155-Q179 WeakPolarHBondContact O-CB 3.21Å; T177-Q179 PolarHBondContact O-N 3.08Å; T177-Q179 VanDerWaalsContact O-N 3.08Å; T177-Q179 PolarHBondContact OG1-N 3.2Å; T177-Q179 VanDerWaalsContact OG1-N 3.11Å
180	L	68.6	Low	74.1	Confident	62 Å²	62	44.3 Å²	44.3	33%	0.325	24%	0.238	S	C	.	.			trans	-143.2	150.3	-169.3	-66.2	170.9	0	0	0	111.7	T177	T177-L180 PolarHBondContact N-O 2.69Å; T177-L180 PolarHBondContact OG1-N 3.06Å; T177-L180 PolarHBondContact OG1-O 2.93Å
181	T	69.9	Low	72.8	Confident	25 Å²	25	52.2 Å²	52.2	15%	0.153	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.1	166.8	-59.4	0	0	0	0	109.1	V176 L198	V176-T181 HydrophobicContact CG2-CG2 4.12Å; T181-L198 PolarHBondContact O-N 3.2Å; T181-L198 VanDerWaalsContact O-O 3.12Å
182	M	69.9	Low	71.4	Confident	6 Å²	6	55.7 Å²	55.7	3%	0.03	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	153	-178.6	-59.9	-179	-74.3	0	0	110.1	Q153 Y174 A175 T177 F184	Q153-M182 WeakPolarHBondContact O-CE 3.39Å; Y174-M182 WeakPolarHBondContact CA-O 3.43Å; A175-M182 PolarHBondContact N-O 3.24Å; A175-M182 PolarHBondContact O-N 3.29Å; T177-M182 HydrophobicContact CG2-CE 4.05Å; M182-F184 HydrophobicContact CB-CE2 4.2Å; M182-F184 HydrophobicContact CB-CZ 4.42Å; M182-F184 HydrophobicContact CE-CZ 4.33Å; M182-F184 HydrophobicContact SD-CZ 4.33Å
183	S	74.9	Confident	70.6	Confident	9 Å²	9	56.7 Å²	56.7	6%	0.063	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	142.8	166.1	59.4	0	0	0	0	111	L173 V196	L173-S183 CarbonylContact O-C 3.43Å; L173-S183 WeakPolarHBondContact O-CA 3.32Å; S183-V196 PolarHBondContact N-O 2.96Å; S183-V196 PolarHBondContact O-N 3.34Å; S183-V196 PolarHBondContact OG-O 3.38Å
184	F	79	Confident	69.6	Low	9 Å²	9	63.1 Å²	63.1	4%	0.039	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	115.3	177.7	-60.4	-82.5	0	0	0	107.5	L134 C151 I172 L173 A175 M182 L186 V193 K195	L134-F184 HydrophobicContact CD1-CE2 4.16Å; C151-F184 HydrophobicContact CB-CE1 4.36Å; C151-F184 HydrophobicContact CB-CZ 4.39Å; I172-F184 WeakPolarHBondContact CA-O 3.28Å; L173-F184 HydrophobicContact CB-CB 4.26Å; L173-F184 HydrophobicContact CD2-CD2 4.35Å; L173-F184 HydrophobicContact CG-CD2 4.4Å; L173-F184 PolarHBondContact N-O 3.12Å; L173-F184 PolarHBondContact O-N 3.29Å; A175-F184 HydrophobicContact CB-CD2 4.42Å; A175-F184 HydrophobicContact CB-CE2 3.87Å; M182-F184 HydrophobicContact CB-CE2 4.2Å; M182-F184 HydrophobicContact CB-CZ 4.42Å; M182-F184 HydrophobicContact CE-CZ 4.33Å; M182-F184 HydrophobicContact SD-CZ 4.33Å; F184-L186 HydrophobicContact CB-CD2 4.19Å; F184-L186 PolarHBondContact O-N 3.26Å; F184-V193 HydrophobicContact CB-CG1 3.87Å; F184-V193 HydrophobicContact CD1-CG1 3.64Å; F184-V193 HydrophobicContact CG-CG1 4.18Å; F184-K195 HydrophobicContact CE1-CG 4.32Å
185	V	80.7	Confident	68.8	Low	43 Å²	43	63.3 Å²	63.3	26%	0.261	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	115.6	172.6	-176.3	0	0	0	0	107.4	T170 I172 K194	T170-V185 HydrophobicContact CG2-CG1 3.66Å; I172-V185 HydrophobicContact CG1-CG2 4.49Å; V185-K194 HydrophobicContact CB-CB 4.31Å; V185-K194 PolarHBondContact N-O 3.17Å; V185-K194 PolarHBondContact O-N 2.93Å; V185-K194 VanDerWaalsContact O-N 3.15Å
186	L	83.2	Confident	67.8	Low	6 Å²	6	66.7 Å²	66.7	3%	0.031	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	105.5	179	-49.4	-179	0	0	0	107.6	L124 L136 F163 T171 L173 F184 V193	L124-L186 HydrophobicContact CD1-CD1 3.96Å; L136-L186 HydrophobicContact CD1-CD1 4.1Å; L136-L186 HydrophobicContact CD2-CD1 3.9Å; L136-L186 HydrophobicContact CD2-CD2 3.56Å; L136-L186 HydrophobicContact CD2-CG 4.36Å; F163-L186 HydrophobicContact CD1-CD1 4.25Å; F163-L186 HydrophobicContact CE1-CD1 3.77Å; T171-L186 PolarHBondContact N-O 2.94Å; T171-L186 WeakPolarHBondContact O-CA 3.43Å; T171-L186 VanDerWaalsContact O-CB 3.24Å; T171-L186 WeakPolarHBondContact O-CB 3.19Å; T171-L186 PolarHBondContact O-N 3.04Å; L173-L186 HydrophobicContact CB-CD1 4.02Å; L173-L186 HydrophobicContact CB-CG 4.37Å; F184-L186 HydrophobicContact CB-CD2 4.19Å; F184-L186 PolarHBondContact O-N 3.26Å; L186-V193 HydrophobicContact CD2-CG1 4.32Å; L186-V193 HydrophobicContact CD2-CG2 4.09Å
187	G	73.9	Confident	66.6	Low	19 Å²	19	68 Å²	68	20%	0.196	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	168.1	170	0	0	0	0	0	111.9	K189 E192	G187-K189 PolarHBondContact O-N 3.29Å; G187-E192 PolarHBondContact N-O 2.95Å
188	S	66.5	Low	65.2	Low	96 Å²	96	71.5 Å²	71.5	67%	0.671	37%	0.368	S	S	*	.	S	Bend	trans	-63	-25.8	174.7	57	0	0	0	0	113.6
189	K	63.8	Low	63.3	Low	145 Å²	145	76 Å²	76	63%	0.63	38%	0.381	S	S	*	.	S	Bend	trans	-85	127.8	175.8	-65.3	-175.4	-179.3	178.2	0	110.8	G187 K191 E192	G187-K189 PolarHBondContact O-N 3.29Å; K189-K191 PolarHBondContact O-N 2.87Å; K189-E192 PolarHBondContact O-N 3.36Å
190	E	58.9	Low	61.7	Low	115 Å²	115	74.5 Å²	74.5	54%	0.537	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-30.7	-173.8	-66.5	-180	165.6	0	0	115.3	R138	R138-E190 PolarHBondContact NH1-O 3.2Å; R138-E190 VanDerWaalsContact NH1-O 3.1Å
191	K	54.8	Low	59.8	Low	203 Å²	203	79.8 Å²	79.8	88%	0.883	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-8.6	-174.6	-64.3	-174.5	179.9	-179.8	0	114.8	K189 V193	K189-K191 PolarHBondContact O-N 2.87Å; K191-V193 PolarHBondContact O-N 3.34Å
192	E	53.1	Low	57.7	Low	90 Å²	90	89.7 Å²	89.7	42%	0.421	44%	0.44	S	S	.	.			trans	-93.7	93.1	-179.5	-73.1	-167.5	-158.8	0	0	111.2	G187 K189	G187-E192 PolarHBondContact N-O 2.95Å; K189-E192 PolarHBondContact O-N 3.36Å
193	V	61.3	Low	55.8	Low	42 Å²	42	98.7 Å²	98.7	26%	0.255	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	98.7	161.7	-179.1	0	0	0	0	107.4	V149 F184 L186 K191	V149-V193 HydrophobicContact CG1-CG2 4.29Å; F184-V193 HydrophobicContact CB-CG1 3.87Å; F184-V193 HydrophobicContact CD1-CG1 3.64Å; F184-V193 HydrophobicContact CG-CG1 4.18Å; L186-V193 HydrophobicContact CD2-CG1 4.32Å; L186-V193 HydrophobicContact CD2-CG2 4.09Å; K191-V193 PolarHBondContact O-N 3.34Å
194	K	59.5	Low	53.6	Low	136 Å²	136	107.3 Å²	107.3	59%	0.591	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	118.4	175.3	-69.8	-179.2	-175.7	171.3	0	108.7	V185	V185-K194 HydrophobicContact CB-CB 4.31Å; V185-K194 PolarHBondContact N-O 3.17Å; V185-K194 PolarHBondContact O-N 2.93Å; V185-K194 VanDerWaalsContact O-N 3.15Å
195	K	61.6	Low	51	Low	83 Å²	83	114.4 Å²	114.4	36%	0.361	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.4	131.1	178.7	-175.4	-175.2	-175.8	-165.7	0	110.2	Q153 F184 T197	Q153-K195 VanDerWaalsContact OE1-CE 3.31Å; F184-K195 HydrophobicContact CE1-CG 4.32Å; K195-T197 WeakPolarHBondContact CE-OG1 3.42Å
196	V	55.1	Low	48.5	Very low	71 Å²	71	114.8 Å²	114.8	43%	0.43	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.3	115.4	163.3	-176.9	0	0	0	0	107.3	S183	S183-V196 PolarHBondContact N-O 2.96Å; S183-V196 PolarHBondContact O-N 3.34Å; S183-V196 PolarHBondContact OG-O 3.38Å
197	T	50	Low	45.9	Very low	57 Å²	57	119 Å²	119	35%	0.35	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.3	117.5	175.4	-51.6	0	0	0	0	107.8	K195	K195-T197 WeakPolarHBondContact CE-OG1 3.42Å
198	L	44	Very low	43.8	Very low	81 Å²	81	120.8 Å²	120.8	42%	0.424	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.2	108	173.6	-67.3	168.9	0	0	0	107.6	T181 C200	T181-L198 PolarHBondContact O-N 3.2Å; T181-L198 VanDerWaalsContact O-O 3.12Å; L198-C200 PolarHBondContact O-N 3.47Å
199	F	31.9	Very low	42.1	Very low	181 Å²	181	118.6 Å²	118.6	79%	0.794	57%	0.569	S	S	*	*			trans	-69.8	101.7	173	-84.4	-86.3	0	0	0	109.4
200	C	36	Very low	40.5	Very low	86 Å²	86	113.9 Å²	113.9	58%	0.581	55%	0.553	S	S	*	*			trans	-101.1	99.6	165.3	-129.9	0	0	0	0	107.7	L198 R202	L198-C200 PolarHBondContact O-N 3.47Å; C200-R202 PolarHBondContact O-N 3.07Å
201	Q	27.6	Very low	39	Very low	172 Å²	172	111 Å²	111	80%	0.804	54%	0.541	S	S	*	.			trans	-70.9	120.8	171.1	-75.5	-177.8	-11.5	0	0	109
202	R	26.7	Very low	37.7	Very low	234 Å²	234	102.8 Å²	102.8	88%	0.883	51%	0.508	S	S	*	.	S	Bend	trans	52.3	76.4	162.6	-71.7	179.2	165.4	167.5	-4.2	116.2	C200	C200-R202 PolarHBondContact O-N 3.07Å
203	F	29.9	Very low	36.6	Very low	195 Å²	195	101 Å²	101	86%	0.855	50%	0.501	S	S	*	.			trans	-133.7	104.9	145.6	-84.5	-81.6	0	0	0	109.5	L205	F203-L205 PolarHBondContact O-N 3.12Å
204	Q	27.1	Very low	35.3	Very low	190 Å²	190	102.8 Å²	102.8	89%	0.888	51%	0.508	S	S	*	.			trans	-66.3	114.5	167.1	-74.5	-179.6	-26.2	0	0	108.5
205	L	25.9	Very low	34	Very low	157 Å²	157	102.1 Å²	102.1	82%	0.822	51%	0.512	S	S	*	.	S	Bend	trans	61.9	136.4	156.3	-79.4	135.4	0	0	0	119.5	F203	F203-L205 PolarHBondContact O-N 3.12Å
206	A	28.1	Very low	32.4	Very low	52 Å²	52	102 Å²	102	43%	0.43	52%	0.515	S	S	.	.			trans	81	70.9	170.5	0	0	0	0	0	117	L208 A227	A206-L208 PolarHBondContact O-N 3.44Å; A206-A227 HydrophobicContact CB-CB 3.42Å; A206-A227 VanDerWaalsContact CB-CB 3.42Å
207	M	29.1	Very low	31.5	Very low	95 Å²	95	100.6 Å²	100.6	47%	0.468	50%	0.504	S	S	.	.			trans	-78.3	109.2	160.7	-160.7	-173.4	-45.1	0	0	109.6	L209	M207-L209 HydrophobicContact CG-CG 4.2Å; M207-L209 HydrophobicContact SD-CD1 4.01Å; M207-L209 HydrophobicContact SD-CD2 4.11Å; M207-L209 HydrophobicContact SD-CG 3.89Å
208	L	29.9	Very low	30.4	Very low	55 Å²	55	100.3 Å²	100.3	29%	0.288	51%	0.513	S	S	.	.			trans	-86.2	103.1	167.4	-169.1	128.5	0	0	0	108	A206 V210 V230 C232 I233	A206-L208 PolarHBondContact O-N 3.44Å; L208-V210 HydrophobicContact CD2-CB 4.22Å; L208-V210 HydrophobicContact CD2-CG2 3.52Å; L208-V210 HydrophobicContact CG-CG2 4.34Å; L208-V210 PolarHBondContact O-N 3.03Å; L208-V230 HydrophobicContact CD1-CG1 3.54Å; L208-C232 WeakPolarHBondContact CD1-O 3.43Å; L208-C232 VanDerWaalsContact CD2-O 3.3Å; L208-C232 WeakPolarHBondContact CD2-O 3.28Å; L208-I233 HydrophobicContact CD2-CB 4.46Å
209	L	30	Very low	29.7	Very low	50 Å²	50	105.1 Å²	105.1	26%	0.262	53%	0.53	S	S	.	.			trans	-89.3	93.7	174.6	-82.6	162.5	0	0	0	109.3	M207 L222 S223	M207-L209 HydrophobicContact CG-CG 4.2Å; M207-L209 HydrophobicContact SD-CD1 4.01Å; M207-L209 HydrophobicContact SD-CD2 4.11Å; M207-L209 HydrophobicContact SD-CG 3.89Å; L209-L222 WeakPolarHBondContact O-CD2 3.07Å; L209-S223 WeakPolarHBondContact CD1-OG 3.43Å
210	V	29.1	Very low	29.5	Very low	47 Å²	47	98.4 Å²	98.4	29%	0.285	51%	0.506	S	S	.	.			trans	-103.6	100.6	163.5	172	0	0	0	0	107.8	L208 I233 I234	L208-V210 HydrophobicContact CD2-CB 4.22Å; L208-V210 HydrophobicContact CD2-CG2 3.52Å; L208-V210 HydrophobicContact CG-CG2 4.34Å; L208-V210 PolarHBondContact O-N 3.03Å; V210-I233 HydrophobicContact CG1-CG2 4.43Å; V210-I233 HydrophobicContact CG2-CG2 4.12Å; V210-I234 WeakPolarHBondContact CB-O 3.5Å
211	N	28.4	Very low	29.3	Very low	54 Å²	54	97.8 Å²	97.8	29%	0.289	50%	0.5	S	S	.	.			trans	-139.4	109	169.4	-162.1	22.9	0	0	0	103.4	W237	N211-W237 PolarHBondContact OD1-NE1 3.39Å
212	T	27.1	Very low	29.6	Very low	31 Å²	31	92.6 Å²	92.6	19%	0.19	48%	0.477	C	S	.	.	S	Bend		-165.6	172.7	66.2	34.4	0	0	0	0	108.3	I214 N216 S220	T212-I214 PolarHBondContact O-N 2.75Å; T212-N216 PolarHBondContact OG1-O 3.3Å; T212-S220 VanDerWaalsContact CG2-OG 3.23Å; T212-S220 WeakPolarHBondContact CG2-OG 3.24Å; T212-S220 PolarHBondContact OG1-OG 3.05Å
213	N	30.2	Very low	30.1	Very low	52 Å²	52	82.7 Å²	82.7	28%	0.278	44%	0.444	S	S	.	.			trans	-26.5	129.8	168.3	-138.7	15.1	0	0	0	112.1	D215 N216	N213-D215 PolarHBondContact O-N 2.75Å; N213-N216 WeakPolarHBondContact O-CA 3.27Å; N213-N216 PolarHBondContact O-N 3.5Å
214	I	34.2	Very low	30.7	Very low	79 Å²	79	76.8 Å²	76.8	41%	0.405	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-60.1	-25.1	-171.5	-68.9	165.6	0	0	0	111.4	T212 N216 I217 E274	T212-I214 PolarHBondContact O-N 2.75Å; I214-N216 PolarHBondContact O-N 3.18Å; I214-N216 VanDerWaalsContact O-N 3.13Å; I214-I217 HydrophobicContact CB-CD1 4.21Å; I214-I217 HydrophobicContact CG1-CD1 4.19Å; I214-I217 HydrophobicContact CG2-CD1 3.84Å; I214-E274 VanDerWaalsContact CB-OE2 3.27Å; I214-E274 WeakPolarHBondContact CB-OE2 3.41Å; I214-E274 HydrophobicContact CD1-CB 3.88Å; I214-E274 HydrophobicContact CD1-CG 3.41Å; I214-E274 VanDerWaalsContact CD1-CG 3.41Å; I214-E274 WeakPolarHBondContact CD1-OE1 3.5Å; I214-E274 HydrophobicContact CG2-CB 4.44Å; I214-E274 WeakPolarHBondContact CG2-OE2 3.31Å
215	D	31.3	Very low	31.3	Very low	123 Å²	123	68.7 Å²	68.7	66%	0.658	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-64.4	-12	170.3	-48.8	-34.9	0	0	0	115.4	N213	N213-D215 PolarHBondContact O-N 2.75Å
216	N	29.8	Very low	32	Very low	81 Å²	81	66.9 Å²	66.9	43%	0.433	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-132	19.2	-172.3	-90.4	-31.1	0	0	0	113.9	T212 N213 I214 G218 K219	T212-N216 PolarHBondContact OG1-O 3.3Å; N213-N216 WeakPolarHBondContact O-CA 3.27Å; N213-N216 PolarHBondContact O-N 3.5Å; I214-N216 PolarHBondContact O-N 3.18Å; I214-N216 VanDerWaalsContact O-N 3.13Å; N216-G218 PolarHBondContact O-N 3.17Å; N216-K219 PolarHBondContact O-N 3.4Å
217	I	34.6	Very low	32.3	Very low	40 Å²	40	65.2 Å²	65.2	21%	0.205	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-17.3	171.8	-64.5	170.4	0	0	0	111.4	R65 I214 K219 V255	R65-I217 PolarHBondContact NH2-O 3.09Å; I214-I217 HydrophobicContact CB-CD1 4.21Å; I214-I217 HydrophobicContact CG1-CD1 4.19Å; I214-I217 HydrophobicContact CG2-CD1 3.84Å; I217-K219 VanDerWaalsContact C-N 3.3Å; I217-K219 PolarHBondContact O-N 2.92Å; I217-V255 HydrophobicContact CG2-CG1 3.99Å
218	G	27.7	Very low	32.7	Very low	52 Å²	52	68.9 Å²	68.9	54%	0.536	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.3	171.5	0	0	0	0	0	116.9	R65 N216	R65-G218 VanDerWaalsContact NH1-CA 3.33Å; R65-G218 PolarHBondContact NH1-O 3.32Å; N216-G218 PolarHBondContact O-N 3.17Å
219	K	28.8	Very low	32.9	Very low	181 Å²	181	75.3 Å²	75.3	79%	0.787	39%	0.389	S	S	*	.	S	Bend	trans	-125.8	-3.5	-167.6	-66.5	-176.4	180	177.8	0	117.4	N216 I217	N216-K219 PolarHBondContact O-N 3.4Å; I217-K219 VanDerWaalsContact C-N 3.3Å; I217-K219 PolarHBondContact O-N 2.92Å
220	S	28.9	Very low	33.5	Very low	40 Å²	40	73.6 Å²	73.6	28%	0.28	38%	0.381	S	S	.	.			trans	-114.3	115.6	-172.5	-57.2	0	0	0	0	111.3	T212 L222	T212-S220 VanDerWaalsContact CG2-OG 3.23Å; T212-S220 WeakPolarHBondContact CG2-OG 3.24Å; T212-S220 PolarHBondContact OG1-OG 3.05Å; S220-L222 PolarHBondContact O-N 3.43Å
221	T	30.7	Very low	33.8	Very low	73 Å²	73	78 Å²	78	45%	0.448	40%	0.396	S	S	.	.			trans	-60.8	97.7	174.1	-27.3	0	0	0	0	109.6	F163 S223	F163-T221 WeakPolarHBondContact O-CB 3.49Å; F163-T221 PolarHBondContact O-OG1 3.25Å; F163-T221 VanDerWaalsContact O-OG1 3.11Å; T221-S223 PolarHBondContact O-N 2.58Å
222	L	34.1	Very low	34.3	Very low	64 Å²	64	77.1 Å²	77.1	34%	0.335	39%	0.394	S	S	.	.			trans	-70	108.5	173.7	-78.1	158.2	0	0	0	108.4	L209 S220 L224 V255	L209-L222 WeakPolarHBondContact O-CD2 3.07Å; S220-L222 PolarHBondContact O-N 3.43Å; L222-L224 PolarHBondContact O-N 3.45Å; L222-V255 HydrophobicContact CD1-CB 4.03Å; L222-V255 HydrophobicContact CD1-CG1 4.36Å; L222-V255 HydrophobicContact CD1-CG2 3.58Å
223	S	37.3	Very low	35.2	Very low	25 Å²	25	76.9 Å²	76.9	18%	0.175	39%	0.391	C	S	.	.			trans	-85.7	105.4	162.7	37.3	0	0	0	0	108.7	A162 L209 T221 V225	A162-S223 WeakPolarHBondContact CB-OG 3.29Å; L209-S223 WeakPolarHBondContact CD1-OG 3.43Å; T221-S223 PolarHBondContact O-N 2.58Å; S223-V225 PolarHBondContact O-N 3.1Å
224	L	42.5	Very low	35.7	Very low	72 Å²	72	78 Å²	78	38%	0.377	40%	0.396	S	S	.	.			trans	-90.1	97.6	177.4	-117.8	149.3	0	0	0	108.1	L222 R226 I253	L222-L224 PolarHBondContact O-N 3.45Å; L224-R226 PolarHBondContact O-N 3.42Å; L224-I253 HydrophobicContact CD1-CB 4.28Å; L224-I253 HydrophobicContact CD1-CG2 4.01Å; L224-I253 WeakPolarHBondContact CD1-O 3.21Å; L224-I253 HydrophobicContact CD2-CB 3.5Å; L224-I253 HydrophobicContact CD2-CD1 3.82Å; L224-I253 HydrophobicContact CD2-CG1 4.18Å; L224-I253 HydrophobicContact CD2-CG2 3.86Å
225	V	39.7	Very low	36.3	Very low	20 Å²	20	76.4 Å²	76.4	12%	0.121	39%	0.388	C	S	.	.			trans	-76.2	119.6	173.4	-179.4	0	0	0	0	107.5	V159 S223 A227	V159-V225 HydrophobicContact CG2-CG1 4.42Å; S223-V225 PolarHBondContact O-N 3.1Å; V225-A227 PolarHBondContact O-N 3.24Å
226	R	39.5	Very low	36.7	Very low	118 Å²	118	78.9 Å²	78.9	45%	0.445	39%	0.388	S	S	.	.			trans	-47.5	104	171.8	-93.1	175.8	131.7	137.2	2.3	110.5	A21 L224	A21-R226 VanDerWaalsContact O-CZ 3.25Å; A21-R226 PolarHBondContact O-NH1 3.04Å; A21-R226 PolarHBondContact O-NH2 3.12Å; L224-R226 PolarHBondContact O-N 3.42Å
227	A	36.2	Very low	37.1	Very low	17 Å²	17	83.4 Å²	83.4	14%	0.14	40%	0.4	C	S	.	.			trans	-110.7	115.7	171.3	0	0	0	0	0	107.7	A206 V225 R229	A206-A227 HydrophobicContact CB-CB 3.42Å; A206-A227 VanDerWaalsContact CB-CB 3.42Å; V225-A227 PolarHBondContact O-N 3.24Å; A227-R229 PolarHBondContact O-N 2.85Å
228	Q	36.8	Very low	37.5	Very low	173 Å²	173	83.9 Å²	83.9	81%	0.808	40%	0.399	S	S	*	.	S	Bend	trans	-59.7	-9.3	176.7	-70.9	-179.9	-27.5	0	0	113.5
229	R	34	Very low	38.5	Very low	190 Å²	190	90.4 Å²	90.4	72%	0.717	42%	0.416	S	S	*	.			trans	-147.8	108.3	175.5	-66.2	-175	170.5	151.2	-5.1	110.3	A227	A227-R229 PolarHBondContact O-N 2.85Å
230	V	43.3	Very low	39.4	Very low	13 Å²	13	83.5 Å²	83.5	8%	0.079	39%	0.386	C	S	.	.			trans	-85	111.9	168	-178.8	0	0	0	0	108.2	L208 V250 I253	L208-V230 HydrophobicContact CD1-CG1 3.54Å; V230-V250 HydrophobicContact CB-CG2 4.25Å; V230-V250 HydrophobicContact CG2-CB 4.33Å; V230-V250 HydrophobicContact CG2-CG1 4Å; V230-V250 HydrophobicContact CG2-CG2 4.13Å; V230-I253 HydrophobicContact CG2-CD1 3.21Å; V230-I253 HydrophobicContact CG2-CG1 4.25Å
231	K	35.2	Very low	40.4	Very low	139 Å²	139	84.8 Å²	84.8	60%	0.604	39%	0.389	S	S	*	.			trans	-98.1	-27.3	176.8	-73.4	-175.6	177.4	180	0	113.5	F244	K231-F244 HydrophobicContact CB-CE2 4.32Å; K231-F244 WeakPolarHBondContact O-CD2 3.19Å; K231-F244 VanDerWaalsContact O-CE2 3.24Å; K231-F244 WeakPolarHBondContact O-CE2 3.31Å
232	C	37.4	Very low	41.4	Very low	36 Å²	36	83.5 Å²	83.5	24%	0.243	39%	0.386	C	S	.	.			trans	-151.4	143.1	-171.6	60.1	0	0	0	0	112.6	L208 I234 L241 F244	L208-C232 WeakPolarHBondContact CD1-O 3.43Å; L208-C232 VanDerWaalsContact CD2-O 3.3Å; L208-C232 WeakPolarHBondContact CD2-O 3.28Å; C232-I234 HydrophobicContact CB-CG1 4.32Å; C232-L241 HydrophobicContact CB-CD1 3.59Å; C232-L241 HydrophobicContact CB-CG 4.42Å; C232-F244 HydrophobicContact CB-CD2 4.31Å
233	I	47.9	Very low	42.4	Very low	27 Å²	27	85.7 Å²	85.7	14%	0.138	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	109.7	167.6	-62	178.5	0	0	0	107.3	L208 V210 A242 Y243 L260 L272	L208-I233 HydrophobicContact CD2-CB 4.46Å; V210-I233 HydrophobicContact CG1-CG2 4.43Å; V210-I233 HydrophobicContact CG2-CG2 4.12Å; I233-A242 PolarHBondContact O-N 3.44Å; I233-Y243 HydrophobicContact CD1-CD1 4.11Å; I233-Y243 PolarHBondContact N-O 3.22Å; I233-L260 HydrophobicContact CD1-CD2 4.12Å; I233-L272 HydrophobicContact CD1-CD1 3.38Å
234	I	40.7	Very low	43.3	Very low	76 Å²	76	90.6 Å²	90.6	39%	0.39	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	120.5	-177.5	-55.4	174.8	0	0	0	108.4	V210 C232 R236	V210-I234 WeakPolarHBondContact CB-O 3.5Å; C232-I234 HydrophobicContact CB-CG1 4.32Å; I234-R236 PolarHBondContact O-N 2.79Å
235	N	45.4	Very low	44.2	Very low	44 Å²	44	88.3 Å²	88.3	24%	0.235	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	109	168.4	-175.3	-21.7	0	0	0	108.6	W237 R238 Q239 F240	N235-W237 PolarHBondContact O-N 3.34Å; N235-W237 PolarHBondContact OD1-N 2.93Å; N235-R238 PolarHBondContact O-N 3.39Å; N235-Q239 PolarHBondContact O-N 3.28Å; N235-F240 PolarHBondContact N-O 3.12Å
236	R	40	Very low	45	Very low	175 Å²	175	92.6 Å²	92.6	66%	0.66	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-26.7	-173.4	-160.2	178.2	175.8	-166.7	-2.3	113.6	I234 R238	I234-R236 PolarHBondContact O-N 2.79Å; R236-R238 PolarHBondContact O-N 2.73Å
237	W	38.6	Very low	46.3	Very low	176 Å²	176	88 Å²	88	67%	0.667	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-19.5	-179.8	-78.8	39.6	0	0	0	113	N211 N235	N211-W237 PolarHBondContact OD1-NE1 3.39Å; N235-W237 PolarHBondContact O-N 3.34Å; N235-W237 PolarHBondContact OD1-N 2.93Å
238	R	43.6	Very low	47.7	Very low	50 Å²	50	91.4 Å²	91.4	19%	0.189	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	1.9	-165.2	-72.8	-176.8	174.6	-112.5	3.8	113.8	N235 R236 F240 L292 N295 T296	N235-R238 PolarHBondContact O-N 3.39Å; R236-R238 PolarHBondContact O-N 2.73Å; R238-F240 HydrophobicContact CB-CB 4.38Å; R238-F240 WeakPolarHBondContact O-CB 3.27Å; R238-F240 PolarHBondContact O-N 3.34Å; R238-L292 HydrophobicContact CB-CD1 3.54Å; R238-L292 HydrophobicContact CB-CD2 4.39Å; R238-L292 HydrophobicContact CG-CD1 3.6Å; R238-L292 PolarHBondContact NH1-O 3.36Å; R238-N295 VanDerWaalsContact NH2-C 3.27Å; R238-N295 PolarHBondContact NH2-O 3.11Å; R238-T296 PolarHBondContact NH1-OG1 3.29Å
239	Q	47.9	Very low	49.3	Very low	190 Å²	190	89.2 Å²	89.2	89%	0.888	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.1	29.7	-172.5	-67.7	-171.3	-16.2	0	0	113.2	N235	N235-Q239 PolarHBondContact O-N 3.28Å
240	F	48.2	Very low	51.1	Low	36 Å²	36	80.5 Å²	80.5	16%	0.158	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.7	-173.5	176.1	-111.3	0	0	0	109.8	N235 R238 A242 L283 L284 K287 L289 L292	N235-F240 PolarHBondContact N-O 3.12Å; R238-F240 HydrophobicContact CB-CB 4.38Å; R238-F240 WeakPolarHBondContact O-CB 3.27Å; R238-F240 PolarHBondContact O-N 3.34Å; F240-A242 PolarHBondContact O-N 2.88Å; F240-A242 VanDerWaalsContact O-N 3.11Å; F240-L283 HydrophobicContact CZ-CD2 4.45Å; F240-L284 HydrophobicContact CE1-CD2 4.12Å; F240-L284 HydrophobicContact CZ-CD2 4.44Å; F240-K287 HydrophobicContact CE2-CD 4.14Å; F240-K287 HydrophobicContact CZ-CD 3.88Å; F240-L289 HydrophobicContact CD2-CD1 3.42Å; F240-L289 VanDerWaalsContact CD2-CD1 3.42Å; F240-L289 HydrophobicContact CE1-CD1 4.39Å; F240-L289 HydrophobicContact CE2-CD1 3.06Å; F240-L289 HydrophobicContact CG-CD1 4.26Å; F240-L289 HydrophobicContact CZ-CD1 3.6Å; F240-L292 HydrophobicContact CB-CD2 3.71Å; F240-L292 HydrophobicContact CD1-CD2 3.64Å; F240-L292 HydrophobicContact CE1-CD2 4.41Å; F240-L292 HydrophobicContact CG-CD2 3.71Å
241	L	48.9	Very low	52.5	Low	66 Å²	66	81.4 Å²	81.4	35%	0.346	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	97.4	170.2	-179.1	139	0	0	0	108.4	C232 Y243 F244	C232-L241 HydrophobicContact CB-CD1 3.59Å; C232-L241 HydrophobicContact CB-CG 4.42Å; L241-Y243 VanDerWaalsContact C-N 3.34Å; L241-F244 HydrophobicContact CD1-CB 4.3Å; L241-F244 HydrophobicContact CD1-CD2 4.37Å; L241-F244 HydrophobicContact CD2-CB 3.44Å; L241-F244 VanDerWaalsContact CD2-CB 3.44Å; L241-F244 HydrophobicContact CG-CB 4.32Å
242	A	51.3	Low	54.1	Low	46 Å²	46	75.6 Å²	75.6	38%	0.38	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	-37.9	-175.7	0	0	0	0	0	111.6	I233 F240	I233-A242 PolarHBondContact O-N 3.44Å; F240-A242 PolarHBondContact O-N 2.88Å; F240-A242 VanDerWaalsContact O-N 3.11Å
243	Y	56.4	Low	55.9	Low	111 Å²	111	74.7 Å²	74.7	44%	0.435	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	137.6	-179.4	-177.4	-103.8	0	0	0	111.1	I233 L241 A245 L272	I233-Y243 HydrophobicContact CD1-CD1 4.11Å; I233-Y243 PolarHBondContact N-O 3.22Å; L241-Y243 VanDerWaalsContact C-N 3.34Å; Y243-A245 HydrophobicContact CD1-CB 4.5Å; Y243-A245 HydrophobicContact CE1-CB 3.54Å; Y243-A245 HydrophobicContact CE2-CB 4.31Å; Y243-A245 VanDerWaalsContact CZ-CB 3.42Å; Y243-A245 WeakPolarHBondContact OH-CB 3.36Å; Y243-L272 HydrophobicContact CE1-CD2 4.21Å
244	F	56.5	Low	57.1	Low	127 Å²	127	73.7 Å²	73.7	56%	0.557	36%	0.357	S	S	*	.			trans	-137.1	115.1	172.8	177.1	-88.6	0	0	0	107.6	K231 C232 L241	K231-F244 HydrophobicContact CB-CE2 4.32Å; K231-F244 WeakPolarHBondContact O-CD2 3.19Å; K231-F244 VanDerWaalsContact O-CE2 3.24Å; K231-F244 WeakPolarHBondContact O-CE2 3.31Å; C232-F244 HydrophobicContact CB-CD2 4.31Å; L241-F244 HydrophobicContact CD1-CB 4.3Å; L241-F244 HydrophobicContact CD1-CD2 4.37Å; L241-F244 HydrophobicContact CD2-CB 3.44Å; L241-F244 VanDerWaalsContact CD2-CB 3.44Å; L241-F244 HydrophobicContact CG-CB 4.32Å
245	A	59.8	Low	58.6	Low	24 Å²	24	71.7 Å²	71.7	20%	0.198	35%	0.348	C	S	.	.			trans	-144.6	136.7	166.4	0	0	0	0	0	108	Y243 I247	Y243-A245 HydrophobicContact CD1-CB 4.5Å; Y243-A245 HydrophobicContact CE1-CB 3.54Å; Y243-A245 HydrophobicContact CE2-CB 4.31Å; Y243-A245 VanDerWaalsContact CZ-CB 3.42Å; Y243-A245 WeakPolarHBondContact OH-CB 3.36Å; A245-I247 PolarHBondContact O-N 3.09Å
246	P	58.6	Low	59.8	Low	111 Å²	111	69.7 Å²	69.7	72%	0.721	34%	0.338	S	S	*	.			trans	-70	112.2	172.7	28.5	-31.3	0	0	0	108.9
247	I	65.2	Low	61.6	Low	22 Å²	22	64 Å²	64	11%	0.113	32%	0.316	C	S	.	.			trans	-101.5	113.1	166.9	-58.9	172.7	0	0	0	106.5	A245 V250 I262 T264 Y270	A245-I247 PolarHBondContact O-N 3.09Å; I247-V250 HydrophobicContact CB-CG2 4.13Å; I247-V250 HydrophobicContact CG2-CG2 3.9Å; I247-I262 HydrophobicContact CD1-CD1 3.45Å; I247-I262 VanDerWaalsContact CD1-CD1 3.45Å; I247-I262 HydrophobicContact CD1-CG2 4.38Å; I247-I262 HydrophobicContact CG2-CG2 4.28Å; I247-T264 HydrophobicContact CG2-CG2 3.85Å; I247-Y270 HydrophobicContact CG2-CD2 4.39Å; I247-Y270 HydrophobicContact CG2-CE2 4.32Å
248	P	65.9	Low	63.1	Low	88 Å²	88	63.7 Å²	63.7	57%	0.571	32%	0.323	S	S	*	.	S	Bend	trans	-67.6	145.3	179	27.9	-32.5	0	0	0	110.4	V250	P248-V250 PolarHBondContact O-N 3.5Å
249	E	70.6	Confident	64.4	Low	126 Å²	126	62.6 Å²	62.6	59%	0.589	32%	0.322	S	S	*	.	S	Bend	trans	52.9	54	165	-57.6	175.8	178.1	0	0	114.5	Q251 T264 V265	E249-Q251 PolarHBondContact O-N 2.95Å; E249-T264 CarbonylContact O-C 3.56Å; E249-T264 WeakPolarHBondContact O-CA 3.25Å; E249-V265 HydrophobicContact CB-CB 3.99Å; E249-V265 HydrophobicContact CB-CG2 3.96Å; E249-V265 WeakPolarHBondContact O-CG2 3.3Å; E249-V265 PolarHBondContact O-N 3.4Å
250	V	71.3	Confident	65.6	Low	8 Å²	8	55.4 Å²	55.4	5%	0.048	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	121.8	174	179.1	0	0	0	0	109.5	V230 I247 P248 I253 I262	V230-V250 HydrophobicContact CB-CG2 4.25Å; V230-V250 HydrophobicContact CG2-CB 4.33Å; V230-V250 HydrophobicContact CG2-CG1 4Å; V230-V250 HydrophobicContact CG2-CG2 4.13Å; I247-V250 HydrophobicContact CB-CG2 4.13Å; I247-V250 HydrophobicContact CG2-CG2 3.9Å; P248-V250 PolarHBondContact O-N 3.5Å; V250-I253 HydrophobicContact CG1-CD1 4.2Å; V250-I253 HydrophobicContact CG1-CG1 3.76Å; V250-I262 HydrophobicContact CB-CG2 4.37Å; V250-I262 HydrophobicContact CG1-CG2 3.77Å; V250-I262 HydrophobicContact CG2-CG2 3.8Å
251	Q	72.9	Confident	67.1	Low	31 Å²	31	54.1 Å²	54.1	15%	0.145	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-46.3	179	-178.6	169.7	10	0	0	111.3	I20 E249 L263 T264 V265	I20-Q251 PolarHBondContact O-NE2 3.2Å; E249-Q251 PolarHBondContact O-N 2.95Å; Q251-L263 PolarHBondContact N-O 3.45Å; Q251-T264 PolarHBondContact OE1-O 3.29Å; Q251-V265 HydrophobicContact CB-CG2 4Å
252	D	70.1	Confident	68.5	Low	18 Å²	18	51.1 Å²	51.1	10%	0.096	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	165.5	176.6	-145.8	-13.7	0	0	0	112.1	C22 C23 L263	C22-D252 WeakPolarHBondContact CA-OD2 3.41Å; C23-D252 HydrophobicContact CB-CB 4.33Å; C23-D252 PolarHBondContact N-OD2 3.11Å; D252-L263 PolarHBondContact N-O 2.83Å; D252-L263 PolarHBondContact O-N 3.37Å
253	I	74.2	Confident	69.8	Low	16 Å²	16	48.9 Å²	48.9	8%	0.082	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	137.2	178.2	-50.1	165.2	0	0	0	107.7	L224 V230 V250 L260 F261 I262	L224-I253 HydrophobicContact CD1-CB 4.28Å; L224-I253 HydrophobicContact CD1-CG2 4.01Å; L224-I253 WeakPolarHBondContact CD1-O 3.21Å; L224-I253 HydrophobicContact CD2-CB 3.5Å; L224-I253 HydrophobicContact CD2-CD1 3.82Å; L224-I253 HydrophobicContact CD2-CG1 4.18Å; L224-I253 HydrophobicContact CD2-CG2 3.86Å; V230-I253 HydrophobicContact CG2-CD1 3.21Å; V230-I253 HydrophobicContact CG2-CG1 4.25Å; V250-I253 HydrophobicContact CG1-CD1 4.2Å; V250-I253 HydrophobicContact CG1-CG1 3.76Å; I253-L260 HydrophobicContact CG2-CD1 3.44Å; I253-L260 VanDerWaalsContact CG2-CD1 3.44Å; I253-L260 HydrophobicContact CG2-CG 4.09Å; I253-F261 CarbonylContact C-O 3.51Å; I253-F261 VanDerWaalsContact CA-O 3.24Å; I253-F261 WeakPolarHBondContact CA-O 3.2Å; I253-F261 VanDerWaalsContact CG2-O 3.26Å; I253-F261 WeakPolarHBondContact CG2-O 3.28Å; I253-I262 HydrophobicContact CG1-CG1 4.28Å; I253-I262 HydrophobicContact CG1-CG2 4.41Å; I253-I262 HydrophobicContact CG2-CG1 4.21Å
254	F	73.5	Confident	71	Confident	6 Å²	6	44 Å²	44	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	158.9	177.3	59.1	-89.8	0	0	0	110.7	C23 A25 V30 A256 F261 L269	C23-F254 HydrophobicContact CB-CB 4.46Å; C23-F254 HydrophobicContact CB-CD1 3.53Å; C23-F254 HydrophobicContact CB-CE1 4.08Å; C23-F254 HydrophobicContact CB-CG 4.24Å; A25-F254 HydrophobicContact CB-CB 4.46Å; A25-F254 HydrophobicContact CB-CD2 4.13Å; V30-F254 HydrophobicContact CB-CE2 4.27Å; V30-F254 HydrophobicContact CG1-CD2 3.96Å; V30-F254 HydrophobicContact CG1-CE1 4.32Å; V30-F254 HydrophobicContact CG1-CE2 3.5Å; V30-F254 HydrophobicContact CG1-CZ 3.7Å; V30-F254 HydrophobicContact CG2-CD2 4.2Å; V30-F254 HydrophobicContact CG2-CE2 3.71Å; F254-A256 HydrophobicContact CD2-CB 4Å; F254-A256 HydrophobicContact CE2-CB 4.07Å; F254-F261 HydrophobicContact CD1-CB 4.19Å; F254-F261 HydrophobicContact CD2-CB 3.83Å; F254-F261 HydrophobicContact CD2-CD2 4.12Å; F254-F261 HydrophobicContact CD2-CG 4.28Å; F254-F261 HydrophobicContact CE1-CB 3.8Å; F254-F261 HydrophobicContact CE2-CB 3.4Å; F254-F261 HydrophobicContact CE2-CD1 4.44Å; F254-F261 AromaticContact CE2-CD2 3.65Å; F254-F261 HydrophobicContact CE2-CD2 3.65Å; F254-F261 AromaticContact CE2-CG 3.59Å; F254-F261 HydrophobicContact CE2-CG 3.59Å; F254-F261 HydrophobicContact CG-CB 4.22Å; F254-F261 HydrophobicContact CZ-CB 3.39Å; F254-F261 HydrophobicContact CZ-CD1 4.43Å; F254-F261 HydrophobicContact CZ-CD2 4.38Å; F254-F261 AromaticContact CZ-CG 3.85Å; F254-F261 HydrophobicContact CZ-CG 3.85Å; F254-F261 PolarHBondContact N-O 2.9Å; F254-F261 PolarHBondContact O-N 3.33Å; F254-L269 HydrophobicContact CE1-CD1 3.99Å; F254-L269 HydrophobicContact CZ-CD1 4.03Å; F254-L269 HydrophobicContact CZ-CD2 4.49Å
255	V	71.7	Confident	72	Confident	35 Å²	35	42.2 Å²	42.2	21%	0.212	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	112.5	175.9	175.2	0	0	0	0	108.9	A25 I217 L222 S259 L260	A25-V255 WeakPolarHBondContact CB-O 3.19Å; I217-V255 HydrophobicContact CG2-CG1 3.99Å; L222-V255 HydrophobicContact CD1-CB 4.03Å; L222-V255 HydrophobicContact CD1-CG1 4.36Å; L222-V255 HydrophobicContact CD1-CG2 3.58Å; V255-S259 WeakPolarHBondContact CA-O 3.27Å; V255-L260 HydrophobicContact CG2-CB 4.5Å; V255-L260 HydrophobicContact CG2-CD1 3.45Å; V255-L260 VanDerWaalsContact CG2-CD1 3.45Å
256	A	71.4	Confident	72.8	Confident	2 Å²	2	43 Å²	43	2%	0.017	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	148.3	177.7	0	0	0	0	0	109	A25 V30 F254 E258 S259 F261	A25-A256 HydrophobicContact CB-CB 3.68Å; V30-A256 HydrophobicContact CG2-CB 3.4Å; V30-A256 VanDerWaalsContact CG2-CB 3.4Å; F254-A256 HydrophobicContact CD2-CB 4Å; F254-A256 HydrophobicContact CE2-CB 4.07Å; A256-E258 VanDerWaalsContact C-N 3.28Å; A256-E258 PolarHBondContact O-N 2.95Å; A256-E258 VanDerWaalsContact O-N 3.13Å; A256-S259 PolarHBondContact N-O 2.96Å; A256-S259 VanDerWaalsContact N-O 3.08Å; A256-S259 PolarHBondContact O-N 3.43Å; A256-F261 HydrophobicContact CB-CD2 4.08Å; A256-F261 HydrophobicContact CB-CE2 3.98Å; A256-F261 WeakPolarHBondContact O-CE2 3.45Å
257	W	77.8	Confident	73.7	Confident	54 Å²	54	38 Å²	38	21%	0.205	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	49.3	170.6	-39.1	-44.7	0	0	0	113.3	N28 V30 D43 Q44 W46 S259 F261	N28-W257 PolarHBondContact O-NE1 3.1Å; V30-W257 HydrophobicContact CG2-CH2 4.03Å; V30-W257 HydrophobicContact CG2-CZ2 3.77Å; D43-W257 VanDerWaalsContact C-CZ2 3.41Å; D43-W257 WeakPolarHBondContact O-CH2 3.13Å; D43-W257 WeakPolarHBondContact O-CZ2 3.41Å; Q44-W257 HydrophobicContact CG-CD2 4.05Å; Q44-W257 HydrophobicContact CG-CG 3.98Å; Q44-W257 HydrophobicContact CG-CZ2 4.29Å; Q44-W257 VanDerWaalsContact CG-NE1 3.3Å; W46-W257 AromaticContact CE2-CZ3 4Å; W46-W257 HydrophobicContact CH2-CH2 4.48Å; W46-W257 HydrophobicContact CH2-CZ3 4.13Å; W46-W257 HydrophobicContact CZ2-CH2 4.25Å; W46-W257 AromaticContact CZ2-CZ3 3.66Å; W46-W257 HydrophobicContact CZ2-CZ3 3.66Å; W257-S259 PolarHBondContact O-N 3.4Å; W257-S259 PolarHBondContact O-OG 3.24Å; W257-F261 HydrophobicContact CE3-CE2 4.01Å; W257-F261 AromaticContact CE3-CZ 3.77Å; W257-F261 HydrophobicContact CE3-CZ 3.77Å; W257-F261 HydrophobicContact CZ3-CE2 4.49Å; W257-F261 HydrophobicContact CZ3-CZ 4.02Å
258	E	69.4	Low	74.5	Confident	171 Å²	171	43.9 Å²	43.9	80%	0.799	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	11.8	179.7	-51.8	-176.2	164.8	0	0	115.5	A256	A256-E258 VanDerWaalsContact C-N 3.28Å; A256-E258 PolarHBondContact O-N 2.95Å; A256-E258 VanDerWaalsContact O-N 3.13Å
259	S	71.8	Confident	75.3	Confident	26 Å²	26	39.9 Å²	39.9	18%	0.182	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	150.9	-176.3	-61.6	0	0	0	0	111.9	V255 A256 W257	V255-S259 WeakPolarHBondContact CA-O 3.27Å; A256-S259 PolarHBondContact N-O 2.96Å; A256-S259 VanDerWaalsContact N-O 3.08Å; A256-S259 PolarHBondContact O-N 3.43Å; W257-S259 PolarHBondContact O-N 3.4Å; W257-S259 PolarHBondContact O-OG 3.24Å
260	L	73.2	Confident	75.7	Confident	39 Å²	39	36.6 Å²	36.6	20%	0.204	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	122	175.3	-179.5	70.9	0	0	0	109.1	I233 I253 V255 L272	I233-L260 HydrophobicContact CD1-CD2 4.12Å; I253-L260 HydrophobicContact CG2-CD1 3.44Å; I253-L260 VanDerWaalsContact CG2-CD1 3.44Å; I253-L260 HydrophobicContact CG2-CG 4.09Å; V255-L260 HydrophobicContact CG2-CB 4.5Å; V255-L260 HydrophobicContact CG2-CD1 3.45Å; V255-L260 VanDerWaalsContact CG2-CD1 3.45Å; L260-L272 HydrophobicContact CB-CB 4.23Å; L260-L272 HydrophobicContact CB-CD1 4.49Å; L260-L272 HydrophobicContact CD2-CD1 3.67Å; L260-L272 HydrophobicContact CG-CD1 4.2Å; L260-L272 PolarHBondContact O-N 3.13Å
261	F	78.5	Confident	76.3	Confident	9 Å²	9	37.7 Å²	37.7	4%	0.039	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	136.6	179	-68.9	-91.2	0	0	0	110.7	V2 W46 I253 F254 A256 W257 L269 Y270 C271	V2-F261 HydrophobicContact CG2-CD1 4.18Å; V2-F261 HydrophobicContact CG2-CE1 3.93Å; W46-F261 HydrophobicContact CH2-CE1 4.1Å; W46-F261 HydrophobicContact CZ2-CE1 4.07Å; I253-F261 CarbonylContact C-O 3.51Å; I253-F261 VanDerWaalsContact CA-O 3.24Å; I253-F261 WeakPolarHBondContact CA-O 3.2Å; I253-F261 VanDerWaalsContact CG2-O 3.26Å; I253-F261 WeakPolarHBondContact CG2-O 3.28Å; F254-F261 HydrophobicContact CD1-CB 4.19Å; F254-F261 HydrophobicContact CD2-CB 3.83Å; F254-F261 HydrophobicContact CD2-CD2 4.12Å; F254-F261 HydrophobicContact CD2-CG 4.28Å; F254-F261 HydrophobicContact CE1-CB 3.8Å; F254-F261 HydrophobicContact CE2-CB 3.4Å; F254-F261 HydrophobicContact CE2-CD1 4.44Å; F254-F261 AromaticContact CE2-CD2 3.65Å; F254-F261 HydrophobicContact CE2-CD2 3.65Å; F254-F261 AromaticContact CE2-CG 3.59Å; F254-F261 HydrophobicContact CE2-CG 3.59Å; F254-F261 HydrophobicContact CG-CB 4.22Å; F254-F261 HydrophobicContact CZ-CB 3.39Å; F254-F261 HydrophobicContact CZ-CD1 4.43Å; F254-F261 HydrophobicContact CZ-CD2 4.38Å; F254-F261 AromaticContact CZ-CG 3.85Å; F254-F261 HydrophobicContact CZ-CG 3.85Å; F254-F261 PolarHBondContact N-O 2.9Å; F254-F261 PolarHBondContact O-N 3.33Å; A256-F261 HydrophobicContact CB-CD2 4.08Å; A256-F261 HydrophobicContact CB-CE2 3.98Å; A256-F261 WeakPolarHBondContact O-CE2 3.45Å; W257-F261 HydrophobicContact CE3-CE2 4.01Å; W257-F261 AromaticContact CE3-CZ 3.77Å; W257-F261 HydrophobicContact CE3-CZ 3.77Å; W257-F261 HydrophobicContact CZ3-CE2 4.49Å; W257-F261 HydrophobicContact CZ3-CZ 4.02Å; F261-L269 HydrophobicContact CB-CD1 4.23Å; F261-L269 HydrophobicContact CD1-CD1 4.49Å; F261-L269 HydrophobicContact CD1-CD2 4.04Å; F261-L269 HydrophobicContact CD1-CG 4.12Å; F261-Y270 CarbonylContact C-O 3.6Å; F261-Y270 VanDerWaalsContact CA-O 3.28Å; F261-Y270 WeakPolarHBondContact CA-O 3.39Å; F261-C271 HydrophobicContact CD1-CB 3.89Å; F261-C271 HydrophobicContact CE1-CB 3.62Å; F261-C271 HydrophobicContact CZ-CB 4.31Å
262	I	78.6	Confident	76.3	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.015	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	118	177.9	-58.2	175.9	0	0	0	107.7	I247 V250 I253 Y270 L272	I247-I262 HydrophobicContact CD1-CD1 3.45Å; I247-I262 VanDerWaalsContact CD1-CD1 3.45Å; I247-I262 HydrophobicContact CD1-CG2 4.38Å; I247-I262 HydrophobicContact CG2-CG2 4.28Å; V250-I262 HydrophobicContact CB-CG2 4.37Å; V250-I262 HydrophobicContact CG1-CG2 3.77Å; V250-I262 HydrophobicContact CG2-CG2 3.8Å; I253-I262 HydrophobicContact CG1-CG1 4.28Å; I253-I262 HydrophobicContact CG1-CG2 4.41Å; I253-I262 HydrophobicContact CG2-CG1 4.21Å; I262-Y270 PolarHBondContact N-O 3.31Å; I262-Y270 PolarHBondContact O-N 3.29Å; I262-L272 HydrophobicContact CD1-CD1 3.55Å; I262-L272 HydrophobicContact CD1-CG 4.28Å; I262-L272 HydrophobicContact CG1-CD1 4.28Å
263	L	78.8	Confident	76.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	132.6	174.7	-179.5	70.7	0	0	0	109.4	L15 I20 Q251 D252 L269	L15-L263 HydrophobicContact CD1-CD1 4.17Å; I20-L263 HydrophobicContact CB-CD2 3.97Å; I20-L263 HydrophobicContact CD1-CD1 4.11Å; I20-L263 HydrophobicContact CD1-CD2 3.46Å; I20-L263 VanDerWaalsContact CD1-CD2 3.46Å; I20-L263 HydrophobicContact CD1-CG 4.37Å; I20-L263 HydrophobicContact CG1-CD2 4.28Å; I20-L263 HydrophobicContact CG2-CD2 3.6Å; Q251-L263 PolarHBondContact N-O 3.45Å; D252-L263 PolarHBondContact N-O 2.83Å; D252-L263 PolarHBondContact O-N 3.37Å; L263-L269 HydrophobicContact CB-CD1 4.04Å; L263-L269 HydrophobicContact CD1-CD1 4.14Å
264	T	80.8	Confident	76.2	Confident	7 Å²	7	49.1 Å²	49.1	4%	0.043	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	157.9	176.3	58.8	0	0	0	0	111.6	I247 E249 Q251 G266 G267 R268 Y270	I247-T264 HydrophobicContact CG2-CG2 3.85Å; E249-T264 CarbonylContact O-C 3.56Å; E249-T264 WeakPolarHBondContact O-CA 3.25Å; Q251-T264 PolarHBondContact OE1-O 3.29Å; T264-G266 PolarHBondContact O-N 3.22Å; T264-G266 VanDerWaalsContact O-N 3.17Å; T264-G267 PolarHBondContact O-N 3.19Å; T264-R268 PolarHBondContact N-O 3.13Å; T264-R268 WeakPolarHBondContact OG1-CA 3.5Å; T264-R268 VanDerWaalsContact OG1-CB 3.31Å; T264-R268 WeakPolarHBondContact OG1-CB 3.36Å; T264-R268 PolarHBondContact OG1-N 3.2Å; T264-R268 VanDerWaalsContact OG1-N 3.12Å; T264-R268 PolarHBondContact OG1-O 3.48Å; T264-Y270 HydrophobicContact CG2-CD2 3.96Å; T264-Y270 HydrophobicContact CG2-CE2 3.6Å
265	V	78.1	Confident	76.1	Confident	91 Å²	91	53.4 Å²	53.4	55%	0.552	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-29.5	178.2	177.4	0	0	0	0	112.3	E249 Q251 G267	E249-V265 HydrophobicContact CB-CB 3.99Å; E249-V265 HydrophobicContact CB-CG2 3.96Å; E249-V265 WeakPolarHBondContact O-CG2 3.3Å; E249-V265 PolarHBondContact O-N 3.4Å; Q251-V265 HydrophobicContact CB-CG2 4Å; V265-G267 PolarHBondContact O-N 3.45Å
266	G	76.4	Confident	76.3	Confident	41 Å²	41	55.9 Å²	55.9	42%	0.423	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	15.5	173.6	0	0	0	0	0	115	T264 R268	T264-G266 PolarHBondContact O-N 3.22Å; T264-G266 VanDerWaalsContact O-N 3.17Å; G266-R268 PolarHBondContact O-N 3.24Å
267	G	77.7	Confident	76.6	Confident	5 Å²	5	58.5 Å²	58.5	5%	0.052	29%	0.293	C	S	.	.	S	Bend	trans	70.4	9.1	179.1	0	0	0	0	0	115.4	T264 V265	T264-G267 PolarHBondContact O-N 3.19Å; V265-G267 PolarHBondContact O-N 3.45Å
268	R	81.2	Confident	76.6	Confident	145 Å²	145	63.3 Å²	63.3	55%	0.547	32%	0.315	S	S	.	.			trans	-80.8	135.5	175.8	-58.4	178.7	176.7	168.9	-1.2	110.6	T264 G266 Y270	T264-R268 PolarHBondContact N-O 3.13Å; T264-R268 WeakPolarHBondContact OG1-CA 3.5Å; T264-R268 VanDerWaalsContact OG1-CB 3.31Å; T264-R268 WeakPolarHBondContact OG1-CB 3.36Å; T264-R268 PolarHBondContact OG1-N 3.2Å; T264-R268 VanDerWaalsContact OG1-N 3.12Å; T264-R268 PolarHBondContact OG1-O 3.48Å; G266-R268 PolarHBondContact O-N 3.24Å; R268-Y270 HydrophobicContact CB-CE2 3.93Å
269	L	83.7	Confident	77.2	Confident	5 Å²	5	57.3 Å²	57.3	3%	0.026	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126	177.6	-164.6	66.5	0	0	0	112	M1 V2 W46 F254 F261 L263	M1-L269 WeakPolarHBondContact CA-O 3.44Å; V2-L269 HydrophobicContact CB-CB 4.44Å; V2-L269 HydrophobicContact CG2-CB 4.26Å; V2-L269 HydrophobicContact CG2-CD2 4.04Å; V2-L269 HydrophobicContact CG2-CG 4.02Å; V2-L269 PolarHBondContact N-O 3.44Å; W46-L269 HydrophobicContact CH2-CD2 3.2Å; W46-L269 HydrophobicContact CZ2-CD2 4.35Å; W46-L269 HydrophobicContact CZ3-CD2 3.45Å; W46-L269 VanDerWaalsContact CZ3-CD2 3.45Å; F254-L269 HydrophobicContact CE1-CD1 3.99Å; F254-L269 HydrophobicContact CZ-CD1 4.03Å; F254-L269 HydrophobicContact CZ-CD2 4.49Å; F261-L269 HydrophobicContact CB-CD1 4.23Å; F261-L269 HydrophobicContact CD1-CD1 4.49Å; F261-L269 HydrophobicContact CD1-CD2 4.04Å; F261-L269 HydrophobicContact CD1-CG 4.12Å; L263-L269 HydrophobicContact CB-CD1 4.04Å; L263-L269 HydrophobicContact CD1-CD1 4.14Å
270	Y	79.7	Confident	77.4	Confident	56 Å²	56	58.8 Å²	58.8	22%	0.22	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.2	177.1	-64.4	-97	0	0	0	109.6	I247 F261 I262 T264 R268	I247-Y270 HydrophobicContact CG2-CD2 4.39Å; I247-Y270 HydrophobicContact CG2-CE2 4.32Å; F261-Y270 CarbonylContact C-O 3.6Å; F261-Y270 VanDerWaalsContact CA-O 3.28Å; F261-Y270 WeakPolarHBondContact CA-O 3.39Å; I262-Y270 PolarHBondContact N-O 3.31Å; I262-Y270 PolarHBondContact O-N 3.29Å; T264-Y270 HydrophobicContact CG2-CD2 3.96Å; T264-Y270 HydrophobicContact CG2-CE2 3.6Å; R268-Y270 HydrophobicContact CB-CE2 3.93Å
271	C	82.3	Confident	77.6	Confident	31 Å²	31	57.8 Å²	57.8	21%	0.209	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	125	168.3	178.8	0	0	0	0	109.2	V2 F261	V2-C271 HydrophobicContact CG2-CB 3.77Å; F261-C271 HydrophobicContact CD1-CB 3.89Å; F261-C271 HydrophobicContact CE1-CB 3.62Å; F261-C271 HydrophobicContact CZ-CB 4.31Å
272	L	73.9	Confident	77.6	Confident	40 Å²	40	60 Å²	60	21%	0.209	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	113.4	171.5	-65.3	171.5	0	0	0	108.6	I233 Y243 L260 I262	I233-L272 HydrophobicContact CD1-CD1 3.38Å; Y243-L272 HydrophobicContact CE1-CD2 4.21Å; L260-L272 HydrophobicContact CB-CB 4.23Å; L260-L272 HydrophobicContact CB-CD1 4.49Å; L260-L272 HydrophobicContact CD2-CD1 3.67Å; L260-L272 HydrophobicContact CG-CD1 4.2Å; L260-L272 PolarHBondContact O-N 3.13Å; I262-L272 HydrophobicContact CD1-CD1 3.55Å; I262-L272 HydrophobicContact CD1-CG 4.28Å; I262-L272 HydrophobicContact CG1-CD1 4.28Å
273	K	71.2	Confident	77.6	Confident	171 Å²	171	62.4 Å²	62.4	74%	0.743	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-97.4	144.6	176.2	-64.5	-170.8	175.7	-171.2	0	110	M275	K273-M275 PolarHBondContact O-N 3.15Å
274	E	69.9	Low	77.6	Confident	95 Å²	95	62.7 Å²	62.7	44%	0.444	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-61.8	135.1	171.5	-170.3	175.9	-164.6	0	0	110.3	I214 K280	I214-E274 VanDerWaalsContact CB-OE2 3.27Å; I214-E274 WeakPolarHBondContact CB-OE2 3.41Å; I214-E274 HydrophobicContact CD1-CB 3.88Å; I214-E274 HydrophobicContact CD1-CG 3.41Å; I214-E274 VanDerWaalsContact CD1-CG 3.41Å; I214-E274 WeakPolarHBondContact CD1-OE1 3.5Å; I214-E274 HydrophobicContact CG2-CB 4.44Å; I214-E274 WeakPolarHBondContact CG2-OE2 3.31Å; E274-K280 IonicContact OE1-NZ 3.02Å; E274-K280 PolarHBondContact OE1-NZ 2.93Å
275	M	72.4	Confident	77.4	Confident	95 Å²	95	63.6 Å²	63.6	47%	0.468	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-70.8	139.7	171.7	-66.2	-177	76.5	0	0	110.5	K273 L283	K273-M275 PolarHBondContact O-N 3.15Å; M275-L283 HydrophobicContact CE-CD1 4.42Å; M275-L283 HydrophobicContact SD-CD1 4.25Å
276	D	76.5	Confident	77.4	Confident	87 Å²	87	69.4 Å²	69.4	47%	0.465	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-57.1	154.3	173.2	70.1	-80.2	0	0	0	111.6	K278 S279 K280	D276-K278 PolarHBondContact O-N 2.96Å; D276-K278 WeakPolarHBondContact OD2-CA 3.25Å; D276-K278 VanDerWaalsContact OD2-CB 3.27Å; D276-K278 WeakPolarHBondContact OD2-CB 3.36Å; D276-K278 PolarHBondContact OD2-N 3.46Å; D276-K278 VanDerWaalsContact OD2-N 3.08Å; D276-S279 VanDerWaalsContact CG-OG 3.31Å; D276-S279 PolarHBondContact O-N 3.31Å; D276-S279 WeakPolarHBondContact OD1-CB 3.32Å; D276-S279 PolarHBondContact OD1-OG 3.4Å; D276-S279 PolarHBondContact OD2-N 3.1Å; D276-S279 PolarHBondContact OD2-OG 2.88Å; D276-K280 VanDerWaalsContact O-CB 3.31Å; D276-K280 WeakPolarHBondContact O-CB 3.47Å; D276-K280 PolarHBondContact O-N 3.26Å
277	L	76	Confident	77.5	Confident	57 Å²	57	72.4 Å²	72.4	30%	0.298	33%	0.333	S	S	.	.	H	α-helix	trans	-56.6	-37.8	-175.7	-178.3	63.4	0	0	0	112.2	L281 T296 M297 A300	L277-L281 HydrophobicContact CD1-CD1 4.25Å; L277-L281 HydrophobicContact CD1-CG 4.26Å; L277-L281 HydrophobicContact CG-CD1 4.07Å; L277-L281 HydrophobicContact CG-CG 4.49Å; L277-L281 WeakPolarHBondContact O-CB 3.04Å; L277-L281 WeakPolarHBondContact O-CG 3.48Å; L277-L281 PolarHBondContact O-N 2.82Å; L277-T296 HydrophobicContact CD1-CG2 3.86Å; L277-M297 HydrophobicContact CD1-SD 4.17Å; L277-M297 HydrophobicContact CD2-SD 3.95Å; L277-M297 HydrophobicContact CG-SD 4.27Å; L277-A300 HydrophobicContact CD1-CB 4.03Å; L277-A300 HydrophobicContact CD2-CB 3.79Å
278	K	79	Confident	77.4	Confident	155 Å²	155	75.8 Å²	75.8	67%	0.674	35%	0.35	S	S	*	.	H	α-helix	trans	-67.2	-50.7	-178.5	-177.4	-174.2	177.4	-175.5	0	110.7	D276 K280 L281 D282	D276-K278 PolarHBondContact O-N 2.96Å; D276-K278 WeakPolarHBondContact OD2-CA 3.25Å; D276-K278 VanDerWaalsContact OD2-CB 3.27Å; D276-K278 WeakPolarHBondContact OD2-CB 3.36Å; D276-K278 PolarHBondContact OD2-N 3.46Å; D276-K278 VanDerWaalsContact OD2-N 3.08Å; K278-K280 VanDerWaalsContact C-N 3.33Å; K278-K280 PolarHBondContact O-N 2.87Å; K278-L281 PolarHBondContact O-N 3.34Å; K278-D282 PolarHBondContact O-N 3.38Å
279	S	80.7	Confident	77.1	Confident	45 Å²	45	71.6 Å²	71.6	32%	0.315	34%	0.338	S	S	.	.	H	α-helix	trans	-63.8	-37.7	177.3	-58.4	0	0	0	0	112.5	D276 D282 L283	D276-S279 VanDerWaalsContact CG-OG 3.31Å; D276-S279 PolarHBondContact O-N 3.31Å; D276-S279 WeakPolarHBondContact OD1-CB 3.32Å; D276-S279 PolarHBondContact OD1-OG 3.4Å; D276-S279 PolarHBondContact OD2-N 3.1Å; D276-S279 PolarHBondContact OD2-OG 2.88Å; S279-D282 PolarHBondContact O-N 3.36Å; S279-L283 WeakPolarHBondContact O-CB 3.37Å; S279-L283 PolarHBondContact O-N 3.37Å
280	K	77.6	Confident	76.7	Confident	57 Å²	57	72 Å²	72	25%	0.248	34%	0.34	C	S	.	.	H	α-helix	trans	-59.7	-48.5	174.4	-174.3	-178.7	-69.7	171.1	0	110.7	E274 D276 K278 L283 L284 T296	E274-K280 IonicContact OE1-NZ 3.02Å; E274-K280 PolarHBondContact OE1-NZ 2.93Å; D276-K280 VanDerWaalsContact O-CB 3.31Å; D276-K280 WeakPolarHBondContact O-CB 3.47Å; D276-K280 PolarHBondContact O-N 3.26Å; K278-K280 VanDerWaalsContact C-N 3.33Å; K278-K280 PolarHBondContact O-N 2.87Å; K280-L283 PolarHBondContact O-N 3.31Å; K280-L284 HydrophobicContact CG-CD1 4.47Å; K280-L284 VanDerWaalsContact O-CG 3.28Å; K280-L284 WeakPolarHBondContact O-CG 3.3Å; K280-L284 PolarHBondContact O-N 3.06Å; K280-T296 HydrophobicContact CD-CG2 3.61Å; K280-T296 HydrophobicContact CG-CG2 4.42Å
281	L	77.1	Confident	76.5	Confident	19 Å²	19	74.4 Å²	74.4	10%	0.099	36%	0.356	C	S	.	.	H	α-helix	trans	-63.8	-43.9	176.8	-68.6	170.5	0	0	0	111.9	L277 K278 L283 L284 F285 A293 M297 I308	L277-L281 HydrophobicContact CD1-CD1 4.25Å; L277-L281 HydrophobicContact CD1-CG 4.26Å; L277-L281 HydrophobicContact CG-CD1 4.07Å; L277-L281 HydrophobicContact CG-CG 4.49Å; L277-L281 WeakPolarHBondContact O-CB 3.04Å; L277-L281 WeakPolarHBondContact O-CG 3.48Å; L277-L281 PolarHBondContact O-N 2.82Å; K278-L281 PolarHBondContact O-N 3.34Å; L281-L283 VanDerWaalsContact C-N 3.28Å; L281-L283 PolarHBondContact O-N 3.18Å; L281-L284 PolarHBondContact O-N 3Å; L281-L284 VanDerWaalsContact O-N 3.14Å; L281-F285 VanDerWaalsContact C-CD2 3.46Å; L281-F285 HydrophobicContact CB-CD2 4.28Å; L281-F285 HydrophobicContact CB-CE2 3.83Å; L281-F285 HydrophobicContact CB-CZ 4.31Å; L281-F285 WeakPolarHBondContact O-CB 3.3Å; L281-F285 WeakPolarHBondContact O-CD2 3.16Å; L281-F285 WeakPolarHBondContact O-CG 3.39Å; L281-F285 PolarHBondContact O-N 2.67Å; L281-A293 HydrophobicContact CD2-CB 3.96Å; L281-M297 HydrophobicContact CD1-CE 4.45Å; L281-M297 HydrophobicContact CD1-CG 4.15Å; L281-M297 HydrophobicContact CD1-SD 3.43Å; L281-M297 WeakPolarHBondContact CD1-SD 3.03Å; L281-M297 HydrophobicContact CD2-CG 3.93Å; L281-M297 HydrophobicContact CD2-SD 4.2Å; L281-M297 HydrophobicContact CG-SD 4.34Å; L281-I308 HydrophobicContact CD2-CD1 3.82Å
282	D	78.7	Confident	76.1	Confident	55 Å²	55	74.1 Å²	74.1	29%	0.294	35%	0.353	S	S	.	.	H	α-helix	trans	-60.2	-37.2	177.2	-76.4	-26.7	0	0	0	112.5	K278 S279 F285 R286 R311	K278-D282 PolarHBondContact O-N 3.38Å; S279-D282 PolarHBondContact O-N 3.36Å; D282-F285 PolarHBondContact O-N 2.97Å; D282-R286 WeakPolarHBondContact O-CB 3.29Å; D282-R286 VanDerWaalsContact O-CG 3.29Å; D282-R286 WeakPolarHBondContact O-CG 3.14Å; D282-R286 PolarHBondContact O-N 3.09Å; D282-R311 IonicContact OD1-NH1 3.59Å; D282-R311 PolarHBondContact OD1-NH1 2.97Å
283	L	77.7	Confident	76.2	Confident	53 Å²	53	72.2 Å²	72.2	28%	0.277	34%	0.343	S	S	.	.	H	α-helix	trans	-67	-45.3	173.1	-169.2	154.1	0	0	0	111.8	F240 M275 S279 K280 L281 F285 R286 K287	F240-L283 HydrophobicContact CZ-CD2 4.45Å; M275-L283 HydrophobicContact CE-CD1 4.42Å; M275-L283 HydrophobicContact SD-CD1 4.25Å; S279-L283 WeakPolarHBondContact O-CB 3.37Å; S279-L283 PolarHBondContact O-N 3.37Å; K280-L283 PolarHBondContact O-N 3.31Å; L281-L283 VanDerWaalsContact C-N 3.28Å; L281-L283 PolarHBondContact O-N 3.18Å; L283-F285 VanDerWaalsContact C-N 3.29Å; L283-F285 PolarHBondContact O-N 3.48Å; L283-R286 PolarHBondContact O-N 3.46Å; L283-K287 HydrophobicContact CD2-CD 3.79Å; L283-K287 HydrophobicContact CD2-CG 4.33Å; L283-K287 PolarHBondContact O-N 2.91Å
284	L	78.2	Confident	76.3	Confident	6 Å²	6	64.9 Å²	64.9	3%	0.031	31%	0.311	C	S	.	.	H	α-helix	trans	-61.8	-39	176.7	-66.4	176.4	0	0	0	111.5	F240 K280 L281 K287 N288 L289 L292 A293	F240-L284 HydrophobicContact CE1-CD2 4.12Å; F240-L284 HydrophobicContact CZ-CD2 4.44Å; K280-L284 HydrophobicContact CG-CD1 4.47Å; K280-L284 VanDerWaalsContact O-CG 3.28Å; K280-L284 WeakPolarHBondContact O-CG 3.3Å; K280-L284 PolarHBondContact O-N 3.06Å; L281-L284 PolarHBondContact O-N 3Å; L281-L284 VanDerWaalsContact O-N 3.14Å; L284-K287 CarbonylContact O-C 3.6Å; L284-K287 PolarHBondContact O-N 3.36Å; L284-N288 PolarHBondContact O-N 2.88Å; L284-N288 VanDerWaalsContact O-N 3.12Å; L284-L289 HydrophobicContact CD2-CB 4.16Å; L284-L289 HydrophobicContact CD2-CD1 4.18Å; L284-L289 PolarHBondContact O-N 3.32Å; L284-L292 HydrophobicContact CD1-CB 4.5Å; L284-L292 HydrophobicContact CD2-CB 4.35Å; L284-L292 HydrophobicContact CD2-CD2 3.73Å; L284-L292 HydrophobicContact CD2-CG 4.41Å; L284-A293 HydrophobicContact CB-CB 4.1Å; L284-A293 HydrophobicContact CD1-CB 4.09Å
285	F	76.9	Confident	76.5	Confident	26 Å²	26	64.4 Å²	64.4	11%	0.114	31%	0.312	C	S	.	.	H	α-helix	trans	-64.2	-45.9	174.5	-64.6	-39.1	0	0	0	112.1	L281 D282 L283 K287 N288 F290 A293 I308	L281-F285 VanDerWaalsContact C-CD2 3.46Å; L281-F285 HydrophobicContact CB-CD2 4.28Å; L281-F285 HydrophobicContact CB-CE2 3.83Å; L281-F285 HydrophobicContact CB-CZ 4.31Å; L281-F285 WeakPolarHBondContact O-CB 3.3Å; L281-F285 WeakPolarHBondContact O-CD2 3.16Å; L281-F285 WeakPolarHBondContact O-CG 3.39Å; L281-F285 PolarHBondContact O-N 2.67Å; D282-F285 PolarHBondContact O-N 2.97Å; L283-F285 VanDerWaalsContact C-N 3.29Å; L283-F285 PolarHBondContact O-N 3.48Å; F285-K287 PolarHBondContact O-N 3.37Å; F285-N288 PolarHBondContact O-N 3.42Å; F285-F290 AromaticContact CD1-CD1 3.93Å; F285-F290 HydrophobicContact CD1-CD1 3.93Å; F285-F290 AromaticContact CD1-CE1 3.51Å; F285-F290 HydrophobicContact CD1-CE1 3.51Å; F285-F290 HydrophobicContact CD1-CZ 4.47Å; F285-F290 HydrophobicContact CE1-CD1 4.21Å; F285-F290 HydrophobicContact CE1-CE1 4.13Å; F285-F290 HydrophobicContact CG-CE1 4.46Å; F285-A293 HydrophobicContact CD1-CB 4.49Å; F285-A293 HydrophobicContact CE1-CB 4.2Å; F285-I308 HydrophobicContact CE1-CB 4.12Å; F285-I308 HydrophobicContact CE1-CG1 3.67Å; F285-I308 HydrophobicContact CE1-CG2 4.02Å; F285-I308 HydrophobicContact CZ-CB 4.31Å; F285-I308 HydrophobicContact CZ-CD1 4.42Å; F285-I308 HydrophobicContact CZ-CG1 3.49Å; F285-I308 VanDerWaalsContact CZ-CG1 3.49Å
286	R	79.1	Confident	76.5	Confident	214 Å²	214	60.4 Å²	60.4	81%	0.808	29%	0.293	S	S	*	.	H	α-helix	trans	-60.8	-34	176.4	-75.3	175.6	-173.3	-178.4	3.5	112.4	D282 L283 N288	D282-R286 WeakPolarHBondContact O-CB 3.29Å; D282-R286 VanDerWaalsContact O-CG 3.29Å; D282-R286 WeakPolarHBondContact O-CG 3.14Å; D282-R286 PolarHBondContact O-N 3.09Å; L283-R286 PolarHBondContact O-N 3.46Å; R286-N288 VanDerWaalsContact C-N 3.33Å
287	K	78.4	Confident	76.3	Confident	104 Å²	104	56.4 Å²	56.4	45%	0.452	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	2.6	176.8	-68.4	-171	177.4	-176.6	0	114.2	F240 L283 L284 F285 L289	F240-K287 HydrophobicContact CE2-CD 4.14Å; F240-K287 HydrophobicContact CZ-CD 3.88Å; L283-K287 HydrophobicContact CD2-CD 3.79Å; L283-K287 HydrophobicContact CD2-CG 4.33Å; L283-K287 PolarHBondContact O-N 2.91Å; L284-K287 CarbonylContact O-C 3.6Å; L284-K287 PolarHBondContact O-N 3.36Å; F285-K287 PolarHBondContact O-N 3.37Å; K287-L289 VanDerWaalsContact C-N 3.3Å; K287-L289 HydrophobicContact CB-CD1 3.89Å; K287-L289 HydrophobicContact CB-CG 4.03Å; K287-L289 HydrophobicContact CD-CD1 4.38Å; K287-L289 PolarHBondContact O-N 3.3Å
288	N	75.1	Confident	76.1	Confident	75 Å²	75	58.1 Å²	58.1	40%	0.401	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	29.8	-176	-63	-51.6	0	0	0	115.4	L284 F285 R286 F290	L284-N288 PolarHBondContact O-N 2.88Å; L284-N288 VanDerWaalsContact O-N 3.12Å; F285-N288 PolarHBondContact O-N 3.42Å; R286-N288 VanDerWaalsContact C-N 3.33Å; N288-F290 HydrophobicContact CB-CE2 3.83Å; N288-F290 WeakPolarHBondContact O-CD2 3.34Å; N288-F290 PolarHBondContact O-N 2.87Å
289	L	75.5	Confident	75.7	Confident	57 Å²	57	54.1 Å²	54.1	30%	0.298	27%	0.265	S	S	.	.			trans	-97.7	65.1	-177.3	-62.6	171.4	0	0	0	111.9	F240 L284 K287 L292 A293	F240-L289 HydrophobicContact CD2-CD1 3.42Å; F240-L289 VanDerWaalsContact CD2-CD1 3.42Å; F240-L289 HydrophobicContact CE1-CD1 4.39Å; F240-L289 HydrophobicContact CE2-CD1 3.06Å; F240-L289 HydrophobicContact CG-CD1 4.26Å; F240-L289 HydrophobicContact CZ-CD1 3.6Å; L284-L289 HydrophobicContact CD2-CB 4.16Å; L284-L289 HydrophobicContact CD2-CD1 4.18Å; L284-L289 PolarHBondContact O-N 3.32Å; K287-L289 VanDerWaalsContact C-N 3.3Å; K287-L289 HydrophobicContact CB-CD1 3.89Å; K287-L289 HydrophobicContact CB-CG 4.03Å; K287-L289 HydrophobicContact CD-CD1 4.38Å; K287-L289 PolarHBondContact O-N 3.3Å; L289-L292 HydrophobicContact CB-CB 4.23Å; L289-L292 PolarHBondContact O-N 2.67Å; L289-A293 PolarHBondContact O-N 3.37Å
290	F	74.6	Confident	75.2	Confident	14 Å²	14	54.2 Å²	54.2	6%	0.061	27%	0.269	C	S	.	.	H	α-helix	trans	-69	-39.3	-171.9	-62.6	-76.7	0	0	0	114	F285 N288 L292 A293 I294 I308 R311 Q312 L315	F285-F290 AromaticContact CD1-CD1 3.93Å; F285-F290 HydrophobicContact CD1-CD1 3.93Å; F285-F290 AromaticContact CD1-CE1 3.51Å; F285-F290 HydrophobicContact CD1-CE1 3.51Å; F285-F290 HydrophobicContact CD1-CZ 4.47Å; F285-F290 HydrophobicContact CE1-CD1 4.21Å; F285-F290 HydrophobicContact CE1-CE1 4.13Å; F285-F290 HydrophobicContact CG-CE1 4.46Å; N288-F290 HydrophobicContact CB-CE2 3.83Å; N288-F290 WeakPolarHBondContact O-CD2 3.34Å; N288-F290 PolarHBondContact O-N 2.87Å; F290-L292 PolarHBondContact O-N 2.96Å; F290-A293 CarbonylContact O-C 3.44Å; F290-A293 WeakPolarHBondContact O-CA 3.46Å; F290-A293 WeakPolarHBondContact O-CB 3.4Å; F290-A293 PolarHBondContact O-N 2.96Å; F290-I294 WeakPolarHBondContact O-CG1 3.37Å; F290-I294 PolarHBondContact O-N 3.21Å; F290-I308 HydrophobicContact CD1-CG2 4.44Å; F290-R311 HydrophobicContact CE1-CB 4.39Å; F290-Q312 HydrophobicContact CB-CB 3.93Å; F290-Q312 HydrophobicContact CB-CG 3.61Å; F290-Q312 HydrophobicContact CD1-CB 3.74Å; F290-Q312 HydrophobicContact CD1-CG 4.24Å; F290-Q312 HydrophobicContact CD2-CB 4.35Å; F290-Q312 HydrophobicContact CD2-CG 4.02Å; F290-Q312 HydrophobicContact CG-CB 3.69Å; F290-Q312 HydrophobicContact CG-CG 3.65Å; F290-L315 HydrophobicContact CE1-CD1 3.71Å; F290-L315 HydrophobicContact CE2-CB 4.47Å; F290-L315 HydrophobicContact CE2-CD1 3.34Å; F290-L315 HydrophobicContact CZ-CD1 2.9Å; F290-L315 HydrophobicContact CZ-CG 4.32Å
291	D	76.5	Confident	74.7	Confident	107 Å²	107	60.7 Å²	60.7	57%	0.572	30%	0.297	S	S	*	.	H	α-helix	trans	-62.8	-37.2	178.8	-53.7	-40.9	0	0	0	110.5	I294 N295 Q312	D291-I294 PolarHBondContact O-N 3.2Å; D291-N295 WeakPolarHBondContact O-CB 3.5Å; D291-N295 VanDerWaalsContact O-CG 3.28Å; D291-N295 PolarHBondContact O-N 2.72Å; D291-N295 PolarHBondContact O-ND2 3.24Å; D291-Q312 PolarHBondContact OD1-NE2 3.31Å
292	L	73.6	Confident	74.3	Confident	25 Å²	25	61.6 Å²	61.6	13%	0.131	31%	0.305	C	S	.	.	H	α-helix	trans	-67.5	-38.2	172.7	-151.4	70.1	0	0	0	112.2	R238 F240 L284 L289 F290 N295 T296	R238-L292 HydrophobicContact CB-CD1 3.54Å; R238-L292 HydrophobicContact CB-CD2 4.39Å; R238-L292 HydrophobicContact CG-CD1 3.6Å; R238-L292 PolarHBondContact NH1-O 3.36Å; F240-L292 HydrophobicContact CB-CD2 3.71Å; F240-L292 HydrophobicContact CD1-CD2 3.64Å; F240-L292 HydrophobicContact CE1-CD2 4.41Å; F240-L292 HydrophobicContact CG-CD2 3.71Å; L284-L292 HydrophobicContact CD1-CB 4.5Å; L284-L292 HydrophobicContact CD2-CB 4.35Å; L284-L292 HydrophobicContact CD2-CD2 3.73Å; L284-L292 HydrophobicContact CD2-CG 4.41Å; L289-L292 HydrophobicContact CB-CB 4.23Å; L289-L292 PolarHBondContact O-N 2.67Å; F290-L292 PolarHBondContact O-N 2.96Å; L292-N295 PolarHBondContact O-N 3.02Å; L292-T296 WeakPolarHBondContact O-CB 3.49Å; L292-T296 PolarHBondContact O-N 3.15Å; L292-T296 PolarHBondContact O-OG1 3.06Å
293	A	75.4	Confident	73.7	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-63.3	-45.1	175.4	0	0	0	0	0	111.2	L281 L284 F285 L289 F290 T296 M297 I308	L281-A293 HydrophobicContact CD2-CB 3.96Å; L284-A293 HydrophobicContact CB-CB 4.1Å; L284-A293 HydrophobicContact CD1-CB 4.09Å; F285-A293 HydrophobicContact CD1-CB 4.49Å; F285-A293 HydrophobicContact CE1-CB 4.2Å; L289-A293 PolarHBondContact O-N 3.37Å; F290-A293 CarbonylContact O-C 3.44Å; F290-A293 WeakPolarHBondContact O-CA 3.46Å; F290-A293 WeakPolarHBondContact O-CB 3.4Å; F290-A293 PolarHBondContact O-N 2.96Å; A293-T296 WeakPolarHBondContact O-CB 3.38Å; A293-T296 PolarHBondContact O-N 3.01Å; A293-T296 VanDerWaalsContact O-N 3.16Å; A293-M297 PolarHBondContact O-N 3.49Å; A293-I308 HydrophobicContact CB-CD1 3.97Å; A293-I308 HydrophobicContact CB-CG1 4.49Å; A293-I308 HydrophobicContact CB-CG2 4.06Å; A293-I308 WeakPolarHBondContact O-CD1 3.5Å
294	I	73.5	Confident	73.3	Confident	16 Å²	16	69.2 Å²	69.2	8%	0.082	34%	0.337	C	S	.	.	H	α-helix	trans	-59.1	-51.6	175.5	-65.7	173.4	0	0	0	109.7	F290 D291 T296 M297 L298 I308 R309	F290-I294 WeakPolarHBondContact O-CG1 3.37Å; F290-I294 PolarHBondContact O-N 3.21Å; D291-I294 PolarHBondContact O-N 3.2Å; I294-T296 PolarHBondContact O-N 3.47Å; I294-M297 WeakPolarHBondContact O-CB 3.27Å; I294-M297 PolarHBondContact O-N 2.77Å; I294-L298 HydrophobicContact CG2-CD1 3.81Å; I294-L298 HydrophobicContact CG2-CG 4.22Å; I294-L298 WeakPolarHBondContact O-CG 3.36Å; I294-L298 PolarHBondContact O-N 3.46Å; I294-I308 HydrophobicContact CD1-CG2 4.34Å; I294-I308 HydrophobicContact CG1-CB 4.42Å; I294-I308 HydrophobicContact CG1-CG2 3.51Å; I294-R309 HydrophobicContact CD1-CG 4.22Å
295	N	74.3	Confident	73	Confident	85 Å²	85	71.3 Å²	71.3	46%	0.455	35%	0.347	S	S	.	.	H	α-helix	trans	-62.3	-30.5	178	-71.2	-16.6	0	0	0	112.5	R238 D291 L292 I299	R238-N295 VanDerWaalsContact NH2-C 3.27Å; R238-N295 PolarHBondContact NH2-O 3.11Å; D291-N295 WeakPolarHBondContact O-CB 3.5Å; D291-N295 VanDerWaalsContact O-CG 3.28Å; D291-N295 PolarHBondContact O-N 2.72Å; D291-N295 PolarHBondContact O-ND2 3.24Å; L292-N295 PolarHBondContact O-N 3.02Å; N295-I299 VanDerWaalsContact O-CG1 3.29Å; N295-I299 WeakPolarHBondContact O-CG1 3.33Å; N295-I299 PolarHBondContact O-N 2.91Å
296	T	72.1	Confident	72.8	Confident	12 Å²	12	76.2 Å²	76.2	7%	0.074	36%	0.364	C	S	.	.	H	α-helix	trans	-68.2	-41.2	174	-52.6	0	0	0	0	110.7	R238 L277 K280 L292 A293 I294 A300	R238-T296 PolarHBondContact NH1-OG1 3.29Å; L277-T296 HydrophobicContact CD1-CG2 3.86Å; K280-T296 HydrophobicContact CD-CG2 3.61Å; K280-T296 HydrophobicContact CG-CG2 4.42Å; L292-T296 WeakPolarHBondContact O-CB 3.49Å; L292-T296 PolarHBondContact O-N 3.15Å; L292-T296 PolarHBondContact O-OG1 3.06Å; A293-T296 WeakPolarHBondContact O-CB 3.38Å; A293-T296 PolarHBondContact O-N 3.01Å; A293-T296 VanDerWaalsContact O-N 3.16Å; I294-T296 PolarHBondContact O-N 3.47Å; T296-A300 WeakPolarHBondContact O-CB 3.39Å; T296-A300 PolarHBondContact O-N 2.9Å
297	M	72.6	Confident	72.6	Confident	3 Å²	3	70.1 Å²	70.1	2%	0.015	35%	0.347	C	S	.	.	H	α-helix	trans	-70.4	-39.1	179	-76	-60.9	-81.5	0	0	114.5	L277 L281 A293 I294 I299 A300 K301 S302 N304 I308	L277-M297 HydrophobicContact CD1-SD 4.17Å; L277-M297 HydrophobicContact CD2-SD 3.95Å; L277-M297 HydrophobicContact CG-SD 4.27Å; L281-M297 HydrophobicContact CD1-CE 4.45Å; L281-M297 HydrophobicContact CD1-CG 4.15Å; L281-M297 HydrophobicContact CD1-SD 3.43Å; L281-M297 WeakPolarHBondContact CD1-SD 3.03Å; L281-M297 HydrophobicContact CD2-CG 3.93Å; L281-M297 HydrophobicContact CD2-SD 4.2Å; L281-M297 HydrophobicContact CG-SD 4.34Å; A293-M297 PolarHBondContact O-N 3.49Å; I294-M297 WeakPolarHBondContact O-CB 3.27Å; I294-M297 PolarHBondContact O-N 2.77Å; M297-I299 VanDerWaalsContact C-N 3.32Å; M297-A300 CarbonylContact O-C 3.45Å; M297-A300 PolarHBondContact O-N 3.37Å; M297-K301 PolarHBondContact O-N 2.58Å; M297-S302 VanDerWaalsContact CE-OG 3.23Å; M297-S302 WeakPolarHBondContact CE-OG 3.16Å; M297-S302 PolarHBondContact O-N 3.47Å; M297-N304 HydrophobicContact CE-CB 3.49Å; M297-N304 VanDerWaalsContact CE-CB 3.49Å; M297-I308 HydrophobicContact CB-CD1 4Å; M297-I308 HydrophobicContact CG-CD1 3.11Å; M297-I308 HydrophobicContact CG-CG1 4.38Å; M297-I308 HydrophobicContact SD-CD1 4.42Å
298	L	71.3	Confident	72.5	Confident	93 Å²	93	65.2 Å²	65.2	49%	0.487	33%	0.326	S	S	.	.	H	α-helix	trans	-61.3	-43.9	176.7	-70.6	172	0	0	0	110.3	I294 K301	I294-L298 HydrophobicContact CG2-CD1 3.81Å; I294-L298 HydrophobicContact CG2-CG 4.22Å; I294-L298 WeakPolarHBondContact O-CG 3.36Å; I294-L298 PolarHBondContact O-N 3.46Å; L298-K301 PolarHBondContact O-N 2.91Å
299	I	70.5	Confident	72.7	Confident	70 Å²	70	64 Å²	64	36%	0.359	32%	0.316	S	S	.	.	H	α-helix	trans	-64	-44	174.5	-65.8	-178.6	0	0	0	111	N295 M297 K301	N295-I299 VanDerWaalsContact O-CG1 3.29Å; N295-I299 WeakPolarHBondContact O-CG1 3.33Å; N295-I299 PolarHBondContact O-N 2.91Å; M297-I299 VanDerWaalsContact C-N 3.32Å; I299-K301 PolarHBondContact O-N 2.67Å; I299-K301 VanDerWaalsContact O-N 3.13Å
300	A	70.1	Confident	72.9	Confident	48 Å²	48	63.1 Å²	63.1	40%	0.397	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-0.4	178.2	0	0	0	0	0	114.1	L277 T296 M297 S302	L277-A300 HydrophobicContact CD1-CB 4.03Å; L277-A300 HydrophobicContact CD2-CB 3.79Å; T296-A300 WeakPolarHBondContact O-CB 3.39Å; T296-A300 PolarHBondContact O-N 2.9Å; M297-A300 CarbonylContact O-C 3.45Å; M297-A300 PolarHBondContact O-N 3.37Å; A300-S302 PolarHBondContact O-N 3.45Å
301	K	68.6	Low	72.9	Confident	193 Å²	193	68 Å²	68	84%	0.839	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	31.2	-176.9	-61.2	-177.7	179.9	178	0	114	M297 L298 I299	M297-K301 PolarHBondContact O-N 2.58Å; L298-K301 PolarHBondContact O-N 2.91Å; I299-K301 PolarHBondContact O-N 2.67Å; I299-K301 VanDerWaalsContact O-N 3.13Å
302	S	68.2	Low	73.1	Confident	38 Å²	38	63.2 Å²	63.2	27%	0.266	30%	0.302	S	S	.	.			trans	-90.7	133.9	-174.5	179.4	0	0	0	0	111.7	M297 A300 N304	M297-S302 VanDerWaalsContact CE-OG 3.23Å; M297-S302 WeakPolarHBondContact CE-OG 3.16Å; M297-S302 PolarHBondContact O-N 3.47Å; A300-S302 PolarHBondContact O-N 3.45Å; S302-N304 PolarHBondContact O-N 3.12Å
303	K	65.4	Low	73.4	Confident	195 Å²	195	62 Å²	62	85%	0.848	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-2.2	-177.8	-63.5	-176.3	179.8	-179.1	0	114.5	E305	K303-E305 VanDerWaalsContact C-N 3.3Å; K303-E305 PolarHBondContact O-N 3.01Å
304	N	68.7	Low	73.6	Confident	72 Å²	72	63.9 Å²	63.9	39%	0.385	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	15.4	-175.1	-67.1	-27.5	0	0	0	114.4	M297 S302 R306 L307	M297-N304 HydrophobicContact CE-CB 3.49Å; M297-N304 VanDerWaalsContact CE-CB 3.49Å; S302-N304 PolarHBondContact O-N 3.12Å; N304-R306 PolarHBondContact O-N 3.13Å; N304-R306 VanDerWaalsContact O-N 3.11Å; N304-L307 HydrophobicContact CB-CD1 4.2Å; N304-L307 PolarHBondContact O-N 3.02Å
305	E	72.6	Confident	73.8	Confident	51 Å²	51	65.1 Å²	65.1	24%	0.238	31%	0.312	C	S	.	.	H	α-helix	trans	-49.9	-37.2	174.4	-177.1	174.2	-167.5	0	0	112.6	K303 L307 I308 R309	K303-E305 VanDerWaalsContact C-N 3.3Å; K303-E305 PolarHBondContact O-N 3.01Å; E305-L307 VanDerWaalsContact C-N 3.31Å; E305-L307 PolarHBondContact O-N 3.47Å; E305-I308 WeakPolarHBondContact O-CB 3.41Å; E305-I308 PolarHBondContact O-N 2.89Å; E305-I308 VanDerWaalsContact O-N 3.16Å; E305-R309 HydrophobicContact CG-CG 4.45Å; E305-R309 PolarHBondContact O-N 3.29Å; E305-R309 VanDerWaalsContact O-N 3.11Å; E305-R309 IonicContact OE1-CZ 2.65Å; E305-R309 IonicContact OE1-NE 3.75Å; E305-R309 PolarHBondContact OE1-NE 3.42Å; E305-R309 IonicContact OE1-NH2 3.45Å; E305-R309 PolarHBondContact OE1-NH2 3.18Å
306	R	73.7	Confident	74.2	Confident	129 Å²	129	63.2 Å²	63.2	49%	0.487	30%	0.3	S	S	.	.	H	α-helix	trans	-52.3	-41.8	175.7	57.8	-179.2	-180	167.3	0.3	114.2	N304 I308 R309 Q310	N304-R306 PolarHBondContact O-N 3.13Å; N304-R306 VanDerWaalsContact O-N 3.11Å; R306-I308 VanDerWaalsContact C-N 3.35Å; R306-I308 PolarHBondContact O-N 3.37Å; R306-R309 PolarHBondContact O-N 2.89Å; R306-Q310 WeakPolarHBondContact O-CB 3.22Å; R306-Q310 PolarHBondContact O-N 2.82Å
307	L	73.9	Confident	74.5	Confident	85 Å²	85	64.3 Å²	64.3	45%	0.445	30%	0.303	S	S	.	.	H	α-helix	trans	-70.9	-33.8	-177.5	-70	170.6	0	0	0	111.5	N304 E305 R311	N304-L307 HydrophobicContact CB-CD1 4.2Å; N304-L307 PolarHBondContact O-N 3.02Å; E305-L307 VanDerWaalsContact C-N 3.31Å; E305-L307 PolarHBondContact O-N 3.47Å; L307-R311 WeakPolarHBondContact O-CB 3.14Å; L307-R311 WeakPolarHBondContact O-CG 3.3Å; L307-R311 PolarHBondContact O-N 3.06Å
308	I	75.5	Confident	74.9	Confident	2 Å²	2	73.7 Å²	73.7	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-66.6	-50.2	175.1	-66.1	175.5	0	0	0	110	L281 F285 F290 A293 I294 M297 E305 R306 Q310 R311 Q312	L281-I308 HydrophobicContact CD2-CD1 3.82Å; F285-I308 HydrophobicContact CE1-CB 4.12Å; F285-I308 HydrophobicContact CE1-CG1 3.67Å; F285-I308 HydrophobicContact CE1-CG2 4.02Å; F285-I308 HydrophobicContact CZ-CB 4.31Å; F285-I308 HydrophobicContact CZ-CD1 4.42Å; F285-I308 HydrophobicContact CZ-CG1 3.49Å; F285-I308 VanDerWaalsContact CZ-CG1 3.49Å; F290-I308 HydrophobicContact CD1-CG2 4.44Å; A293-I308 HydrophobicContact CB-CD1 3.97Å; A293-I308 HydrophobicContact CB-CG1 4.49Å; A293-I308 HydrophobicContact CB-CG2 4.06Å; A293-I308 WeakPolarHBondContact O-CD1 3.5Å; I294-I308 HydrophobicContact CD1-CG2 4.34Å; I294-I308 HydrophobicContact CG1-CB 4.42Å; I294-I308 HydrophobicContact CG1-CG2 3.51Å; M297-I308 HydrophobicContact CB-CD1 4Å; M297-I308 HydrophobicContact CG-CD1 3.11Å; M297-I308 HydrophobicContact CG-CG1 4.38Å; M297-I308 HydrophobicContact SD-CD1 4.42Å; E305-I308 WeakPolarHBondContact O-CB 3.41Å; E305-I308 PolarHBondContact O-N 2.89Å; E305-I308 VanDerWaalsContact O-N 3.16Å; R306-I308 VanDerWaalsContact C-N 3.35Å; R306-I308 PolarHBondContact O-N 3.37Å; I308-Q310 VanDerWaalsContact C-N 3.3Å; I308-Q310 PolarHBondContact O-N 3.4Å; I308-R311 PolarHBondContact O-N 2.97Å; I308-R311 VanDerWaalsContact O-N 3.17Å; I308-Q312 WeakPolarHBondContact O-CB 3.43Å; I308-Q312 PolarHBondContact O-N 3.44Å
309	R	79.6	Confident	75.4	Confident	48 Å²	48	76 Å²	76	18%	0.181	35%	0.345	C	S	.	.	H	α-helix	trans	-62.3	-40	-178.9	-68.2	-175.4	-179.9	-157.1	-6.5	111.2	I294 E305 R306 Q312 A313 T332	I294-R309 HydrophobicContact CD1-CG 4.22Å; E305-R309 HydrophobicContact CG-CG 4.45Å; E305-R309 PolarHBondContact O-N 3.29Å; E305-R309 VanDerWaalsContact O-N 3.11Å; E305-R309 IonicContact OE1-CZ 2.65Å; E305-R309 IonicContact OE1-NE 3.75Å; E305-R309 PolarHBondContact OE1-NE 3.42Å; E305-R309 IonicContact OE1-NH2 3.45Å; E305-R309 PolarHBondContact OE1-NH2 3.18Å; R306-R309 PolarHBondContact O-N 2.89Å; R309-Q312 PolarHBondContact O-N 3.42Å; R309-A313 VanDerWaalsContact O-CB 3.31Å; R309-A313 WeakPolarHBondContact O-CB 3.39Å; R309-A313 PolarHBondContact O-N 3.31Å; R309-T332 HydrophobicContact CB-CG2 3.58Å
310	Q	79.2	Confident	75.8	Confident	40 Å²	40	74.3 Å²	74.3	19%	0.187	34%	0.344	C	S	.	.	H	α-helix	trans	-61.7	-45.9	173.1	-170.2	-175.4	12.6	0	0	112.3	R306 I308 A313 I314 L336	R306-Q310 WeakPolarHBondContact O-CB 3.22Å; R306-Q310 PolarHBondContact O-N 2.82Å; I308-Q310 VanDerWaalsContact C-N 3.3Å; I308-Q310 PolarHBondContact O-N 3.4Å; Q310-A313 PolarHBondContact O-N 3.02Å; Q310-I314 HydrophobicContact CG-CD1 4.22Å; Q310-I314 VanDerWaalsContact O-CG1 3.26Å; Q310-I314 WeakPolarHBondContact O-CG1 3.15Å; Q310-I314 PolarHBondContact O-N 3.04Å; Q310-L336 HydrophobicContact CG-CD2 4.38Å
311	R	76.5	Confident	76.3	Confident	117 Å²	117	74.8 Å²	74.8	44%	0.442	34%	0.34	S	S	.	.	H	α-helix	trans	-64.5	-40.4	176.7	-77.9	-176.5	176	-175.7	-0.7	112.1	D282 F290 L307 I308 I314 L315	D282-R311 IonicContact OD1-NH1 3.59Å; D282-R311 PolarHBondContact OD1-NH1 2.97Å; F290-R311 HydrophobicContact CE1-CB 4.39Å; L307-R311 WeakPolarHBondContact O-CB 3.14Å; L307-R311 WeakPolarHBondContact O-CG 3.3Å; L307-R311 PolarHBondContact O-N 3.06Å; I308-R311 PolarHBondContact O-N 2.97Å; I308-R311 VanDerWaalsContact O-N 3.17Å; R311-I314 PolarHBondContact O-N 3.28Å; R311-L315 PolarHBondContact O-N 3.16Å; R311-L315 VanDerWaalsContact O-N 3.08Å
312	Q	79.9	Confident	76.8	Confident	5 Å²	5	68 Å²	68	2%	0.023	31%	0.309	C	S	.	.	H	α-helix	trans	-62.2	-45.1	175.7	-173.7	176.4	15	0	0	111	F290 D291 I308 R309 I314 L315 F316 Q328	F290-Q312 HydrophobicContact CB-CB 3.93Å; F290-Q312 HydrophobicContact CB-CG 3.61Å; F290-Q312 HydrophobicContact CD1-CB 3.74Å; F290-Q312 HydrophobicContact CD1-CG 4.24Å; F290-Q312 HydrophobicContact CD2-CB 4.35Å; F290-Q312 HydrophobicContact CD2-CG 4.02Å; F290-Q312 HydrophobicContact CG-CB 3.69Å; F290-Q312 HydrophobicContact CG-CG 3.65Å; D291-Q312 PolarHBondContact OD1-NE2 3.31Å; I308-Q312 WeakPolarHBondContact O-CB 3.43Å; I308-Q312 PolarHBondContact O-N 3.44Å; R309-Q312 PolarHBondContact O-N 3.42Å; Q312-I314 PolarHBondContact O-N 2.95Å; Q312-L315 PolarHBondContact O-N 3.49Å; Q312-L315 VanDerWaalsContact O-N 3.17Å; Q312-F316 HydrophobicContact CG-CD2 3.82Å; Q312-F316 HydrophobicContact CG-CE2 3.52Å; Q312-F316 HydrophobicContact CG-CZ 4.47Å; Q312-F316 WeakPolarHBondContact O-CD2 3.35Å; Q312-F316 PolarHBondContact O-N 3.31Å; Q312-Q328 HydrophobicContact CG-CG 4.14Å
313	A	78.8	Confident	77.4	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.8	-43.2	177.5	0	0	0	0	0	112	R309 Q310 L315 F316 Y317 Q328 Y329	R309-A313 VanDerWaalsContact O-CB 3.31Å; R309-A313 WeakPolarHBondContact O-CB 3.39Å; R309-A313 PolarHBondContact O-N 3.31Å; Q310-A313 PolarHBondContact O-N 3.02Å; A313-L315 VanDerWaalsContact C-N 3.27Å; A313-L315 PolarHBondContact O-N 3.44Å; A313-F316 PolarHBondContact O-N 3.17Å; A313-Y317 WeakPolarHBondContact O-CB 3.41Å; A313-Y317 PolarHBondContact O-N 2.98Å; A313-Q328 HydrophobicContact CB-CB 3.84Å; A313-Y329 HydrophobicContact CB-CD1 3.93Å; A313-Y329 HydrophobicContact CB-CD2 3.65Å; A313-Y329 HydrophobicContact CB-CE1 3.76Å; A313-Y329 HydrophobicContact CB-CE2 3.47Å; A313-Y329 VanDerWaalsContact CB-CE2 3.47Å; A313-Y329 HydrophobicContact CB-CG 3.86Å
314	I	80.1	Confident	78.2	Confident	40 Å²	40	62.1 Å²	62.1	21%	0.205	29%	0.288	C	S	.	.	H	α-helix	trans	-61.1	-36.3	175.2	-68.3	165.4	0	0	0	111.5	Q310 R311 Q312 Y317 R318 Y329	Q310-I314 HydrophobicContact CG-CD1 4.22Å; Q310-I314 VanDerWaalsContact O-CG1 3.26Å; Q310-I314 WeakPolarHBondContact O-CG1 3.15Å; Q310-I314 PolarHBondContact O-N 3.04Å; R311-I314 PolarHBondContact O-N 3.28Å; Q312-I314 PolarHBondContact O-N 2.95Å; I314-Y317 WeakPolarHBondContact O-CB 3.5Å; I314-R318 WeakPolarHBondContact O-CG 3.33Å; I314-R318 PolarHBondContact O-N 3.22Å; I314-Y329 WeakPolarHBondContact CG1-OH 3.44Å
315	L	79	Confident	78.8	Confident	41 Å²	41	58.7 Å²	58.7	22%	0.215	27%	0.27	C	S	.	.	H	α-helix	trans	-75.7	-39	179.1	-77.9	162.5	0	0	0	113.1	F290 R311 Q312 A313 Y317 R318 K319	F290-L315 HydrophobicContact CE1-CD1 3.71Å; F290-L315 HydrophobicContact CE2-CB 4.47Å; F290-L315 HydrophobicContact CE2-CD1 3.34Å; F290-L315 HydrophobicContact CZ-CD1 2.9Å; F290-L315 HydrophobicContact CZ-CG 4.32Å; R311-L315 PolarHBondContact O-N 3.16Å; R311-L315 VanDerWaalsContact O-N 3.08Å; Q312-L315 PolarHBondContact O-N 3.49Å; Q312-L315 VanDerWaalsContact O-N 3.17Å; A313-L315 VanDerWaalsContact C-N 3.27Å; A313-L315 PolarHBondContact O-N 3.44Å; L315-Y317 VanDerWaalsContact C-N 3.28Å; L315-Y317 PolarHBondContact O-N 3.03Å; L315-R318 PolarHBondContact O-N 2.85Å; L315-K319 WeakPolarHBondContact O-CB 3.47Å; L315-K319 WeakPolarHBondContact O-CG 3.47Å; L315-K319 PolarHBondContact O-N 3.49Å
316	F	81.7	Confident	79.1	Confident	46 Å²	46	56.6 Å²	56.6	20%	0.202	26%	0.26	C	S	.	.	H	α-helix	trans	-60.4	-41.5	169.7	-78.8	-53.5	0	0	0	111.2	Q312 A313 R318 K319 G320 D321 N324 A325 Q328	Q312-F316 HydrophobicContact CG-CD2 3.82Å; Q312-F316 HydrophobicContact CG-CE2 3.52Å; Q312-F316 HydrophobicContact CG-CZ 4.47Å; Q312-F316 WeakPolarHBondContact O-CD2 3.35Å; Q312-F316 PolarHBondContact O-N 3.31Å; A313-F316 PolarHBondContact O-N 3.17Å; F316-R318 PolarHBondContact O-N 3.22Å; F316-K319 PolarHBondContact O-N 3.38Å; F316-K319 VanDerWaalsContact O-N 3.15Å; F316-G320 PolarHBondContact O-N 3.4Å; F316-D321 HydrophobicContact CD1-CB 4.22Å; F316-D321 PolarHBondContact O-N 3.12Å; F316-N324 HydrophobicContact CD1-CB 4.19Å; F316-N324 HydrophobicContact CD2-CB 4.27Å; F316-N324 HydrophobicContact CE1-CB 4.24Å; F316-N324 HydrophobicContact CE2-CB 4.3Å; F316-N324 HydrophobicContact CG-CB 4.22Å; F316-N324 HydrophobicContact CZ-CB 4.3Å; F316-A325 HydrophobicContact CB-CB 3.65Å; F316-Q328 HydrophobicContact CD2-CG 4.13Å; F316-Q328 HydrophobicContact CE2-CG 4.09Å
317	Y	78.7	Confident	79.6	Confident	35 Å²	35	55.2 Å²	55.2	14%	0.137	26%	0.258	C	S	.	.	H	α-helix	trans	-59.6	-46.9	174.1	-171.7	-94.7	0	0	0	112.2	A313 I314 L315 K319 G320 Y322 V345 E348 V349	A313-Y317 WeakPolarHBondContact O-CB 3.41Å; A313-Y317 PolarHBondContact O-N 2.98Å; I314-Y317 WeakPolarHBondContact O-CB 3.5Å; L315-Y317 VanDerWaalsContact C-N 3.28Å; L315-Y317 PolarHBondContact O-N 3.03Å; Y317-K319 VanDerWaalsContact C-N 3.26Å; Y317-K319 PolarHBondContact O-N 2.98Å; Y317-G320 PolarHBondContact O-N 3.18Å; Y317-G320 VanDerWaalsContact O-N 3.12Å; Y317-Y322 AromaticContact CD2-CD1 3.63Å; Y317-Y322 HydrophobicContact CD2-CD1 3.63Å; Y317-Y322 AromaticContact CD2-CE1 3.67Å; Y317-Y322 HydrophobicContact CD2-CE1 3.67Å; Y317-Y322 AromaticContact CE2-CD1 3.83Å; Y317-Y322 HydrophobicContact CE2-CD1 3.83Å; Y317-Y322 AromaticContact CE2-CE1 3.62Å; Y317-Y322 HydrophobicContact CE2-CE1 3.62Å; Y317-Y322 HydrophobicContact CG-CE1 4.32Å; Y317-V345 HydrophobicContact CD2-CG1 3.81Å; Y317-V345 HydrophobicContact CE2-CB 4.19Å; Y317-V345 HydrophobicContact CE2-CG1 3.52Å; Y317-V345 PolarHBondContact OH-O 3.18Å; Y317-E348 WeakPolarHBondContact OH-CB 3.12Å; Y317-E348 PolarHBondContact OH-OE2 3.01Å; Y317-V349 HydrophobicContact CE2-CG2 3.96Å; Y317-V349 WeakPolarHBondContact OH-CG2 3.5Å
318	R	81.3	Confident	80	Confident	200 Å²	200	52.2 Å²	52.2	76%	0.755	24%	0.241	S	C	*	.	H	α-helix	trans	-64.2	-27.5	175.5	-77.1	-179.8	175.1	-179.6	-2.2	113.9	I314 L315 F316 G320	I314-R318 WeakPolarHBondContact O-CG 3.33Å; I314-R318 PolarHBondContact O-N 3.22Å; L315-R318 PolarHBondContact O-N 2.85Å; F316-R318 PolarHBondContact O-N 3.22Å; R318-G320 VanDerWaalsContact C-N 3.32Å
319	K	81.7	Confident	80.3	Confident	142 Å²	142	52.3 Å²	52.3	62%	0.617	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-8.7	176.1	-74.4	179.4	177.2	-174.2	0	113.4	L315 F316 Y317 D321	L315-K319 WeakPolarHBondContact O-CB 3.47Å; L315-K319 WeakPolarHBondContact O-CG 3.47Å; L315-K319 PolarHBondContact O-N 3.49Å; F316-K319 PolarHBondContact O-N 3.38Å; F316-K319 VanDerWaalsContact O-N 3.15Å; Y317-K319 VanDerWaalsContact C-N 3.26Å; Y317-K319 PolarHBondContact O-N 2.98Å; K319-D321 VanDerWaalsContact C-N 3.31Å
320	G	78.4	Confident	80.5	Confident	34 Å²	34	51.8 Å²	51.8	35%	0.351	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	4.6	-174.6	0	0	0	0	0	114.7	F316 Y317 R318 Y322	F316-G320 PolarHBondContact O-N 3.4Å; Y317-G320 PolarHBondContact O-N 3.18Å; Y317-G320 VanDerWaalsContact O-N 3.12Å; R318-G320 VanDerWaalsContact C-N 3.32Å; G320-Y322 WeakPolarHBondContact O-CD2 3.28Å; G320-Y322 VanDerWaalsContact O-CE2 3.29Å; G320-Y322 WeakPolarHBondContact O-CE2 3.33Å; G320-Y322 PolarHBondContact O-N 3.38Å
321	D	80.8	Confident	80.5	Confident	57 Å²	57	55.5 Å²	55.5	31%	0.305	26%	0.261	S	S	.	.			trans	-89.6	76.6	175.9	-174	-6.8	0	0	0	110.1	F316 K319 N324 A325	F316-D321 HydrophobicContact CD1-CB 4.22Å; F316-D321 PolarHBondContact O-N 3.12Å; K319-D321 VanDerWaalsContact C-N 3.31Å; D321-N324 PolarHBondContact OD1-N 3.03Å; D321-N324 PolarHBondContact OD1-ND2 3.4Å; D321-N324 PolarHBondContact OD2-ND2 3.04Å; D321-A325 PolarHBondContact O-N 3.18Å; D321-A325 VanDerWaalsContact O-N 3.15Å
322	Y	79.7	Confident	80.6	Confident	50 Å²	50	50.1 Å²	50.1	20%	0.196	24%	0.241	C	C	.	.	H	α-helix	trans	-67.7	-41	-173.8	-56.6	-70.3	0	0	0	112.4	Y317 G320 N324 A325 F326 V349	Y317-Y322 AromaticContact CD2-CD1 3.63Å; Y317-Y322 HydrophobicContact CD2-CD1 3.63Å; Y317-Y322 AromaticContact CD2-CE1 3.67Å; Y317-Y322 HydrophobicContact CD2-CE1 3.67Å; Y317-Y322 AromaticContact CE2-CD1 3.83Å; Y317-Y322 HydrophobicContact CE2-CD1 3.83Å; Y317-Y322 AromaticContact CE2-CE1 3.62Å; Y317-Y322 HydrophobicContact CE2-CE1 3.62Å; Y317-Y322 HydrophobicContact CG-CE1 4.32Å; G320-Y322 WeakPolarHBondContact O-CD2 3.28Å; G320-Y322 VanDerWaalsContact O-CE2 3.29Å; G320-Y322 WeakPolarHBondContact O-CE2 3.33Å; G320-Y322 PolarHBondContact O-N 3.38Å; Y322-N324 VanDerWaalsContact C-N 3.33Å; Y322-N324 PolarHBondContact O-N 3.49Å; Y322-A325 WeakPolarHBondContact O-CA 2.94Å; Y322-A325 VanDerWaalsContact O-CB 3.28Å; Y322-A325 WeakPolarHBondContact O-CB 3.28Å; Y322-A325 PolarHBondContact O-N 3.08Å; Y322-F326 WeakPolarHBondContact O-CD2 3.43Å; Y322-F326 PolarHBondContact O-N 3.32Å; Y322-V349 HydrophobicContact CD1-CG1 4.5Å; Y322-V349 HydrophobicContact CD1-CG2 4.39Å; Y322-V349 HydrophobicContact CD2-CG1 4.49Å; Y322-V349 HydrophobicContact CE1-CG1 4.39Å; Y322-V349 HydrophobicContact CE1-CG2 3.77Å; Y322-V349 HydrophobicContact CE2-CG1 4.37Å
323	S	80.8	Confident	80.5	Confident	49 Å²	49	51.4 Å²	51.4	34%	0.343	25%	0.247	S	C	.	.	H	α-helix	trans	-60.3	-42.5	-176.8	-57.9	0	0	0	0	111.8	F326 K327	S323-F326 PolarHBondContact O-N 2.96Å; S323-K327 WeakPolarHBondContact O-CG 3.44Å; S323-K327 PolarHBondContact O-N 2.83Å
324	N	80.8	Confident	80.1	Confident	61 Å²	61	54.1 Å²	54.1	33%	0.326	28%	0.275	S	S	.	.	H	α-helix	trans	-73.5	-31	174.4	-70.8	-38	0	0	0	112.6	F316 D321 Y322 F326 K327 Q328	F316-N324 HydrophobicContact CD1-CB 4.19Å; F316-N324 HydrophobicContact CD2-CB 4.27Å; F316-N324 HydrophobicContact CE1-CB 4.24Å; F316-N324 HydrophobicContact CE2-CB 4.3Å; F316-N324 HydrophobicContact CG-CB 4.22Å; F316-N324 HydrophobicContact CZ-CB 4.3Å; D321-N324 PolarHBondContact OD1-N 3.03Å; D321-N324 PolarHBondContact OD1-ND2 3.4Å; D321-N324 PolarHBondContact OD2-ND2 3.04Å; Y322-N324 VanDerWaalsContact C-N 3.33Å; Y322-N324 PolarHBondContact O-N 3.49Å; N324-F326 VanDerWaalsContact C-N 3.31Å; N324-F326 PolarHBondContact O-N 3.31Å; N324-K327 PolarHBondContact O-N 3.31Å; N324-Q328 WeakPolarHBondContact O-CG 3.27Å; N324-Q328 PolarHBondContact O-N 3.17Å
325	A	82.8	Confident	79.6	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58.8	-44.1	170.9	0	0	0	0	0	111.4	F316 D321 Y322 Q328 Y329	F316-A325 HydrophobicContact CB-CB 3.65Å; D321-A325 PolarHBondContact O-N 3.18Å; D321-A325 VanDerWaalsContact O-N 3.15Å; Y322-A325 WeakPolarHBondContact O-CA 2.94Å; Y322-A325 VanDerWaalsContact O-CB 3.28Å; Y322-A325 WeakPolarHBondContact O-CB 3.28Å; Y322-A325 PolarHBondContact O-N 3.08Å; A325-Q328 PolarHBondContact O-N 2.79Å; A325-Q328 VanDerWaalsContact O-N 3.12Å; A325-Y329 WeakPolarHBondContact O-CD2 3.36Å; A325-Y329 PolarHBondContact O-N 3.19Å
326	F	78.8	Confident	79.4	Confident	7 Å²	7	54.4 Å²	54.4	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-65.7	-41.2	179.1	-76.1	-65.1	0	0	0	113.1	Y322 S323 N324 Q328 Y329 S330 V345 F346 N354 Y358	Y322-F326 WeakPolarHBondContact O-CD2 3.43Å; Y322-F326 PolarHBondContact O-N 3.32Å; S323-F326 PolarHBondContact O-N 2.96Å; N324-F326 VanDerWaalsContact C-N 3.31Å; N324-F326 PolarHBondContact O-N 3.31Å; F326-Q328 PolarHBondContact O-N 3.33Å; F326-Y329 PolarHBondContact O-N 3.15Å; F326-Y329 VanDerWaalsContact O-N 3.15Å; F326-S330 WeakPolarHBondContact O-CB 3.31Å; F326-S330 PolarHBondContact O-N 2.97Å; F326-S330 PolarHBondContact O-OG 3.5Å; F326-V345 HydrophobicContact CE1-CG1 3.69Å; F326-V345 HydrophobicContact CE2-CG1 4.2Å; F326-V345 HydrophobicContact CZ-CB 4.49Å; F326-V345 HydrophobicContact CZ-CG1 3.29Å; F326-F346 HydrophobicContact CD1-CE2 4.47Å; F326-F346 AromaticContact CD1-CZ 3.98Å; F326-F346 HydrophobicContact CD1-CZ 3.98Å; F326-F346 HydrophobicContact CE1-CD2 4.43Å; F326-F346 AromaticContact CE1-CE1 3.81Å; F326-F346 HydrophobicContact CE1-CE1 3.81Å; F326-F346 AromaticContact CE1-CE2 3.37Å; F326-F346 HydrophobicContact CE1-CE2 3.37Å; F326-F346 AromaticContact CE1-CZ 2.98Å; F326-F346 HydrophobicContact CE1-CZ 2.98Å; F326-F346 HydrophobicContact CE2-CE1 4.33Å; F326-F346 HydrophobicContact CE2-CZ 4.27Å; F326-F346 HydrophobicContact CZ-CD1 4.35Å; F326-F346 AromaticContact CZ-CE1 3.42Å; F326-F346 HydrophobicContact CZ-CE1 3.42Å; F326-F346 VanDerWaalsContact CZ-CE1 3.42Å; F326-F346 AromaticContact CZ-CE2 3.76Å; F326-F346 HydrophobicContact CZ-CE2 3.76Å; F326-F346 AromaticContact CZ-CZ 3.13Å; F326-F346 HydrophobicContact CZ-CZ 3.13Å; F326-N354 HydrophobicContact CD2-CB 3.43Å; F326-N354 VanDerWaalsContact CD2-CB 3.43Å; F326-N354 HydrophobicContact CE2-CB 3.3Å; F326-N354 WeakPolarHBondContact CE2-ND2 3.29Å; F326-N354 HydrophobicContact CG-CB 4.17Å; F326-N354 HydrophobicContact CZ-CB 3.93Å; F326-Y358 HydrophobicContact CD1-CG 4.49Å
327	K	83.6	Confident	78.9	Confident	101 Å²	101	58.7 Å²	58.7	44%	0.439	30%	0.302	S	S	.	.	H	α-helix	trans	-59.6	-25.5	172.4	-71	176.4	-176.8	174.8	0	113.5	S323 N324 S330 K331	S323-K327 WeakPolarHBondContact O-CG 3.44Å; S323-K327 PolarHBondContact O-N 2.83Å; N324-K327 PolarHBondContact O-N 3.31Å; K327-S330 PolarHBondContact O-OG 2.96Å; K327-S330 VanDerWaalsContact O-OG 3.1Å; K327-K331 WeakPolarHBondContact O-CE 3.34Å; K327-K331 WeakPolarHBondContact O-CG 3.46Å
328	Q	82	Confident	78.9	Confident	22 Å²	22	57.7 Å²	57.7	10%	0.103	30%	0.3	C	S	.	.	H	α-helix	trans	-84.9	-40	174.2	-62.9	-59.7	-18.1	0	0	111.7	Q312 A313 F316 N324 A325 F326 K331	Q312-Q328 HydrophobicContact CG-CG 4.14Å; A313-Q328 HydrophobicContact CB-CB 3.84Å; F316-Q328 HydrophobicContact CD2-CG 4.13Å; F316-Q328 HydrophobicContact CE2-CG 4.09Å; N324-Q328 WeakPolarHBondContact O-CG 3.27Å; N324-Q328 PolarHBondContact O-N 3.17Å; A325-Q328 PolarHBondContact O-N 2.79Å; A325-Q328 VanDerWaalsContact O-N 3.12Å; F326-Q328 PolarHBondContact O-N 3.33Å; Q328-K331 PolarHBondContact O-N 2.88Å
329	Y	82.5	Confident	78.6	Confident	3 Å²	3	49.9 Å²	49.9	1%	0.012	28%	0.276	C	S	.	.	H	α-helix	trans	-64.4	-39	175.1	-81.5	-57.2	0	0	0	113	A313 I314 A325 F326 K331 T332 L336 V341 V345	A313-Y329 HydrophobicContact CB-CD1 3.93Å; A313-Y329 HydrophobicContact CB-CD2 3.65Å; A313-Y329 HydrophobicContact CB-CE1 3.76Å; A313-Y329 HydrophobicContact CB-CE2 3.47Å; A313-Y329 VanDerWaalsContact CB-CE2 3.47Å; A313-Y329 HydrophobicContact CB-CG 3.86Å; I314-Y329 WeakPolarHBondContact CG1-OH 3.44Å; A325-Y329 WeakPolarHBondContact O-CD2 3.36Å; A325-Y329 PolarHBondContact O-N 3.19Å; F326-Y329 PolarHBondContact O-N 3.15Å; F326-Y329 VanDerWaalsContact O-N 3.15Å; Y329-K331 PolarHBondContact O-N 3.36Å; Y329-T332 WeakPolarHBondContact O-CA 3.31Å; Y329-T332 PolarHBondContact O-N 2.97Å; Y329-T332 PolarHBondContact O-OG1 2.99Å; Y329-L336 HydrophobicContact CD1-CD2 4.35Å; Y329-L336 HydrophobicContact CE1-CD2 4.22Å; Y329-V341 HydrophobicContact CD1-CG1 4.2Å; Y329-V341 HydrophobicContact CD1-CG2 3.91Å; Y329-V341 HydrophobicContact CD2-CG1 4.22Å; Y329-V341 HydrophobicContact CE1-CG2 4.21Å; Y329-V341 HydrophobicContact CG-CG1 4.01Å; Y329-V341 HydrophobicContact CG-CG2 4.49Å; Y329-V345 HydrophobicContact CE2-CG2 3.96Å
330	S	82.5	Confident	78.4	Confident	37 Å²	37	47.2 Å²	47.2	26%	0.259	26%	0.263	S	S	.	.	H	α-helix	trans	-58.5	-35	177.3	62.6	0	0	0	0	111.4	F326 K327 T332 I333	F326-S330 WeakPolarHBondContact O-CB 3.31Å; F326-S330 PolarHBondContact O-N 2.97Å; F326-S330 PolarHBondContact O-OG 3.5Å; K327-S330 PolarHBondContact O-OG 2.96Å; K327-S330 VanDerWaalsContact O-OG 3.1Å; S330-T332 PolarHBondContact O-N 2.93Å; S330-I333 WeakPolarHBondContact O-CB 3.41Å; S330-I333 WeakPolarHBondContact O-CD1 3.26Å; S330-I333 WeakPolarHBondContact O-CG1 3.45Å; S330-I333 PolarHBondContact O-N 3.38Å
331	K	80	Confident	78.2	Confident	118 Å²	118	45.6 Å²	45.6	51%	0.513	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	2.3	176.6	-47.5	173.6	-170.8	178.5	0	114.8	K327 Q328 Y329	K327-K331 WeakPolarHBondContact O-CE 3.34Å; K327-K331 WeakPolarHBondContact O-CG 3.46Å; Q328-K331 PolarHBondContact O-N 2.88Å; Y329-K331 PolarHBondContact O-N 3.36Å
332	T	79.5	Confident	78	Confident	5 Å²	5	44.1 Å²	44.1	3%	0.031	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-0.2	172.1	61.8	0	0	0	0	113	R309 Y329 S330 G334 S335 L336	R309-T332 HydrophobicContact CB-CG2 3.58Å; Y329-T332 WeakPolarHBondContact O-CA 3.31Å; Y329-T332 PolarHBondContact O-N 2.97Å; Y329-T332 PolarHBondContact O-OG1 2.99Å; S330-T332 PolarHBondContact O-N 2.93Å; T332-G334 PolarHBondContact O-N 3.01Å; T332-S335 PolarHBondContact O-N 2.88Å; T332-S335 VanDerWaalsContact O-N 3.08Å; T332-S335 PolarHBondContact O-OG 3.26Å; T332-L336 PolarHBondContact O-N 3.35Å
333	I	76.7	Confident	77.7	Confident	31 Å²	31	49.2 Å²	49.2	16%	0.159	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-56.3	135.5	178.9	-64.8	169.1	0	0	0	109.9	S330 Y358 A361 V362 A365 Q367	S330-I333 WeakPolarHBondContact O-CB 3.41Å; S330-I333 WeakPolarHBondContact O-CD1 3.26Å; S330-I333 WeakPolarHBondContact O-CG1 3.45Å; S330-I333 PolarHBondContact O-N 3.38Å; I333-Y358 HydrophobicContact CD1-CE2 4.25Å; I333-Y358 HydrophobicContact CG1-CE2 4.08Å; I333-A361 HydrophobicContact CD1-CB 3.73Å; I333-V362 HydrophobicContact CD1-CB 4.49Å; I333-V362 HydrophobicContact CD1-CG2 3.75Å; I333-V362 HydrophobicContact CG1-CG2 4.1Å; I333-V362 HydrophobicContact CG2-CG2 4.43Å; I333-A365 HydrophobicContact CB-CB 4.5Å; I333-A365 HydrophobicContact CG2-CB 3.6Å; I333-Q367 HydrophobicContact CG2-CB 4.38Å; I333-Q367 HydrophobicContact CG2-CG 4.32Å
334	G	71.5	Confident	77.1	Confident	57 Å²	57	51 Å²	51	59%	0.588	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	91	-16.4	-174.4	0	0	0	0	0	114.8	T332	T332-G334 PolarHBondContact O-N 3.01Å
335	S	69.8	Low	76.4	Confident	54 Å²	54	48.2 Å²	48.2	38%	0.378	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-28	178.1	73.3	0	0	0	0	114.4	T332	T332-S335 PolarHBondContact O-N 2.88Å; T332-S335 VanDerWaalsContact O-N 3.08Å; T332-S335 PolarHBondContact O-OG 3.26Å
336	L	73.4	Confident	75.5	Confident	34 Å²	34	49.5 Å²	49.5	18%	0.178	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-114.4	138.3	178	-169.2	72.3	0	0	0	108	Q310 Y329 T332 T338 Y340 V341	Q310-L336 HydrophobicContact CG-CD2 4.38Å; Y329-L336 HydrophobicContact CD1-CD2 4.35Å; Y329-L336 HydrophobicContact CE1-CD2 4.22Å; T332-L336 PolarHBondContact O-N 3.35Å; L336-T338 PolarHBondContact O-N 2.92Å; L336-Y340 HydrophobicContact CD1-CD1 4.34Å; L336-Y340 HydrophobicContact CD2-CD1 3.96Å; L336-Y340 HydrophobicContact CD2-CE1 4.5Å; L336-Y340 HydrophobicContact CG-CD1 4.32Å; L336-V341 HydrophobicContact CD2-CG2 3.58Å; L336-V341 HydrophobicContact CG-CG2 4.39Å
337	E	72.6	Confident	74.7	Confident	135 Å²	135	56.2 Å²	56.2	63%	0.631	29%	0.285	S	S	*	.			trans	-60.5	123.5	176.1	-67.8	-179.2	-173.8	0	0	110.4	S339 Y340	E337-S339 PolarHBondContact O-N 3.12Å; E337-S339 VanDerWaalsContact O-N 3.12Å; E337-S339 PolarHBondContact OE2-OG 3.21Å; E337-Y340 WeakPolarHBondContact O-CB 3.37Å; E337-Y340 PolarHBondContact O-N 3.42Å
338	T	77.1	Confident	73.5	Confident	15 Å²	15	58 Å²	58	9%	0.092	30%	0.295	C	S	.	.	H	α-helix	trans	-54	-33.7	176.2	-44.2	0	0	0	0	111.2	L336 Y340 V341 I342 Y358 V362 H372	L336-T338 PolarHBondContact O-N 2.92Å; T338-Y340 VanDerWaalsContact C-N 3.31Å; T338-Y340 PolarHBondContact O-N 3.32Å; T338-V341 PolarHBondContact O-N 2.65Å; T338-I342 HydrophobicContact CG2-CD1 3.85Å; T338-I342 HydrophobicContact CG2-CG1 4.4Å; T338-I342 VanDerWaalsContact O-CG1 3.3Å; T338-I342 WeakPolarHBondContact O-CG1 3.4Å; T338-I342 PolarHBondContact O-N 2.73Å; T338-Y358 HydrophobicContact CG2-CE1 3.62Å; T338-V362 HydrophobicContact CG2-CG1 4.23Å; T338-V362 HydrophobicContact CG2-CG2 3.74Å; T338-H372 VanDerWaalsContact CB-CE1 3.5Å; T338-H372 WeakPolarHBondContact CB-CE1 3.39Å; T338-H372 WeakPolarHBondContact CB-NE2 3.38Å; T338-H372 WeakPolarHBondContact CG2-NE2 3.4Å
339	S	75.5	Confident	72.5	Confident	36 Å²	36	58.1 Å²	58.1	25%	0.252	30%	0.296	S	S	.	.	H	α-helix	trans	-60.2	-34.7	176	78.9	0	0	0	0	113.4	E337 R343	E337-S339 PolarHBondContact O-N 3.12Å; E337-S339 VanDerWaalsContact O-N 3.12Å; E337-S339 PolarHBondContact OE2-OG 3.21Å; S339-R343 VanDerWaalsContact CB-NH2 3.33Å; S339-R343 VanDerWaalsContact O-CB 3.3Å; S339-R343 WeakPolarHBondContact O-CB 3.43Å; S339-R343 VanDerWaalsContact O-CG 3.3Å; S339-R343 WeakPolarHBondContact O-CG 3.37Å; S339-R343 PolarHBondContact O-N 3.34Å; S339-R343 PolarHBondContact O-NE 3.29Å; S339-R343 PolarHBondContact OG-NH2 3.15Å
340	Y	76.7	Confident	71.7	Confident	86 Å²	86	70 Å²	70	34%	0.337	34%	0.341	S	S	.	.	H	α-helix	trans	-69.7	-44	178	176.8	-92.3	0	0	0	110.8	L336 E337 T338 K344	L336-Y340 HydrophobicContact CD1-CD1 4.34Å; L336-Y340 HydrophobicContact CD2-CD1 3.96Å; L336-Y340 HydrophobicContact CD2-CE1 4.5Å; L336-Y340 HydrophobicContact CG-CD1 4.32Å; E337-Y340 WeakPolarHBondContact O-CB 3.37Å; E337-Y340 PolarHBondContact O-N 3.42Å; T338-Y340 VanDerWaalsContact C-N 3.31Å; T338-Y340 PolarHBondContact O-N 3.32Å; Y340-K344 HydrophobicContact CE1-CD 3.78Å; Y340-K344 HydrophobicContact CE2-CD 4.2Å; Y340-K344 WeakPolarHBondContact O-CB 3.32Å; Y340-K344 PolarHBondContact O-N 3.35Å; Y340-K344 WeakPolarHBondContact OH-CD 3.43Å; Y340-K344 PolarHBondContact OH-NZ 3.18Å
341	V	76.2	Confident	71.1	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-65.2	-46.2	177.9	-175.3	0	0	0	0	109.7	Y329 L336 T338 V345 Y358	Y329-V341 HydrophobicContact CD1-CG1 4.2Å; Y329-V341 HydrophobicContact CD1-CG2 3.91Å; Y329-V341 HydrophobicContact CD2-CG1 4.22Å; Y329-V341 HydrophobicContact CE1-CG2 4.21Å; Y329-V341 HydrophobicContact CG-CG1 4.01Å; Y329-V341 HydrophobicContact CG-CG2 4.49Å; L336-V341 HydrophobicContact CD2-CG2 3.58Å; L336-V341 HydrophobicContact CG-CG2 4.39Å; T338-V341 PolarHBondContact O-N 2.65Å; V341-V345 HydrophobicContact CG1-CG2 4.06Å; V341-V345 WeakPolarHBondContact O-CB 3.5Å; V341-V345 WeakPolarHBondContact O-CG2 3.48Å; V341-V345 PolarHBondContact O-N 3.41Å; V341-Y358 HydrophobicContact CB-CE1 4.06Å; V341-Y358 HydrophobicContact CG1-CD1 4.48Å; V341-Y358 HydrophobicContact CG1-CE1 3.92Å; V341-Y358 HydrophobicContact CG1-CE2 4.1Å; V341-Y358 WeakPolarHBondContact CG2-OH 3.4Å
342	I	76.5	Confident	70.9	Confident	26 Å²	26	71.3 Å²	71.3	13%	0.133	34%	0.341	C	S	.	.	I	π-helix	trans	-60.1	-51.9	179.9	-66	168.7	0	0	0	111.1	T338 F346 Y358 L359 L375	T338-I342 HydrophobicContact CG2-CD1 3.85Å; T338-I342 HydrophobicContact CG2-CG1 4.4Å; T338-I342 VanDerWaalsContact O-CG1 3.3Å; T338-I342 WeakPolarHBondContact O-CG1 3.4Å; T338-I342 PolarHBondContact O-N 2.73Å; I342-F346 WeakPolarHBondContact O-CB 3.39Å; I342-F346 PolarHBondContact O-N 2.89Å; I342-Y358 HydrophobicContact CG1-CE1 4.28Å; I342-L359 HydrophobicContact CD1-CD2 4.06Å; I342-L375 HydrophobicContact CD1-CD1 4.12Å; I342-L375 HydrophobicContact CG2-CD1 4.36Å
343	R	72.9	Confident	70.9	Confident	157 Å²	157	76 Å²	76	59%	0.592	37%	0.366	S	S	*	.	I	π-helix	trans	-63.7	-44.5	-178.7	-75.3	-177.2	-83.9	-148.8	2.8	112.7	S339 L347	S339-R343 VanDerWaalsContact CB-NH2 3.33Å; S339-R343 VanDerWaalsContact O-CB 3.3Å; S339-R343 WeakPolarHBondContact O-CB 3.43Å; S339-R343 VanDerWaalsContact O-CG 3.3Å; S339-R343 WeakPolarHBondContact O-CG 3.37Å; S339-R343 PolarHBondContact O-N 3.34Å; S339-R343 PolarHBondContact O-NE 3.29Å; S339-R343 PolarHBondContact OG-NH2 3.15Å; R343-L347 HydrophobicContact CB-CD1 4.47Å; R343-L347 WeakPolarHBondContact O-CD1 3.38Å
344	K	68.4	Low	70.9	Confident	86 Å²	86	75.1 Å²	75.1	37%	0.374	36%	0.362	S	S	.	.	I	π-helix	trans	-78.6	-29.9	-173.3	-164.2	177	-175.9	-173	0	113.4	Y340	Y340-K344 HydrophobicContact CE1-CD 3.78Å; Y340-K344 HydrophobicContact CE2-CD 4.2Å; Y340-K344 WeakPolarHBondContact O-CB 3.32Å; Y340-K344 PolarHBondContact O-N 3.35Å; Y340-K344 WeakPolarHBondContact OH-CD 3.43Å; Y340-K344 PolarHBondContact OH-NZ 3.18Å
345	V	64.8	Low	71.4	Confident	2 Å²	2	73.4 Å²	73.4	1%	0.012	34%	0.339	C	S	.	.	I	π-helix	trans	-103.2	-34.8	-169.3	-174.6	0	0	0	0	112	Y317 F326 Y329 V341	Y317-V345 HydrophobicContact CD2-CG1 3.81Å; Y317-V345 HydrophobicContact CE2-CB 4.19Å; Y317-V345 HydrophobicContact CE2-CG1 3.52Å; Y317-V345 PolarHBondContact OH-O 3.18Å; F326-V345 HydrophobicContact CE1-CG1 3.69Å; F326-V345 HydrophobicContact CE2-CG1 4.2Å; F326-V345 HydrophobicContact CZ-CB 4.49Å; F326-V345 HydrophobicContact CZ-CG1 3.29Å; Y329-V345 HydrophobicContact CE2-CG2 3.96Å; V341-V345 HydrophobicContact CG1-CG2 4.06Å; V341-V345 WeakPolarHBondContact O-CB 3.5Å; V341-V345 WeakPolarHBondContact O-CG2 3.48Å; V341-V345 PolarHBondContact O-N 3.41Å
346	F	64.8	Low	71.9	Confident	28 Å²	28	71 Å²	71	12%	0.123	32%	0.322	C	S	.	.	I	π-helix	trans	-102.7	-16.8	-169.6	-68.2	-81.2	0	0	0	115.3	F326 I342 E348 N354 L355 Y358	F326-F346 HydrophobicContact CD1-CE2 4.47Å; F326-F346 AromaticContact CD1-CZ 3.98Å; F326-F346 HydrophobicContact CD1-CZ 3.98Å; F326-F346 HydrophobicContact CE1-CD2 4.43Å; F326-F346 AromaticContact CE1-CE1 3.81Å; F326-F346 HydrophobicContact CE1-CE1 3.81Å; F326-F346 AromaticContact CE1-CE2 3.37Å; F326-F346 HydrophobicContact CE1-CE2 3.37Å; F326-F346 AromaticContact CE1-CZ 2.98Å; F326-F346 HydrophobicContact CE1-CZ 2.98Å; F326-F346 HydrophobicContact CE2-CE1 4.33Å; F326-F346 HydrophobicContact CE2-CZ 4.27Å; F326-F346 HydrophobicContact CZ-CD1 4.35Å; F326-F346 AromaticContact CZ-CE1 3.42Å; F326-F346 HydrophobicContact CZ-CE1 3.42Å; F326-F346 VanDerWaalsContact CZ-CE1 3.42Å; F326-F346 AromaticContact CZ-CE2 3.76Å; F326-F346 HydrophobicContact CZ-CE2 3.76Å; F326-F346 AromaticContact CZ-CZ 3.13Å; F326-F346 HydrophobicContact CZ-CZ 3.13Å; I342-F346 WeakPolarHBondContact O-CB 3.39Å; I342-F346 PolarHBondContact O-N 2.89Å; F346-E348 PolarHBondContact O-N 3.03Å; F346-N354 HydrophobicContact CE1-CB 4.31Å; F346-L355 HydrophobicContact CD1-CB 3.62Å; F346-L355 HydrophobicContact CD1-CD1 3.86Å; F346-L355 HydrophobicContact CD1-CD2 4.14Å; F346-L355 HydrophobicContact CD1-CG 4.06Å; F346-L355 HydrophobicContact CD2-CD1 3.7Å; F346-L355 HydrophobicContact CE1-CB 3.23Å; F346-L355 HydrophobicContact CE1-CD1 3.76Å; F346-L355 HydrophobicContact CE1-CG 3.97Å; F346-L355 VanDerWaalsContact CE1-N 3.28Å; F346-L355 HydrophobicContact CE2-CD1 3.49Å; F346-L355 VanDerWaalsContact CE2-CD1 3.49Å; F346-L355 HydrophobicContact CG-CB 4.43Å; F346-L355 HydrophobicContact CG-CD1 3.79Å; F346-L355 HydrophobicContact CG-CD2 4.36Å; F346-L355 HydrophobicContact CG-CG 4.41Å; F346-L355 HydrophobicContact CZ-CB 3.69Å; F346-L355 HydrophobicContact CZ-CD1 3.49Å; F346-L355 VanDerWaalsContact CZ-CD1 3.49Å; F346-L355 HydrophobicContact CZ-CG 4.15Å; F346-Y358 HydrophobicContact CE2-CD1 4.35Å
347	L	61.9	Low	72.3	Confident	147 Å²	147	73.7 Å²	73.7	77%	0.77	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-28.5	170.8	-73	173.8	0	0	0	111.8	R343	R343-L347 HydrophobicContact CB-CD1 4.47Å; R343-L347 WeakPolarHBondContact O-CD1 3.38Å
348	E	58.1	Low	72.8	Confident	140 Å²	140	67.4 Å²	67.4	65%	0.654	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-29.1	-176.8	-66.8	178.6	172.8	0	0	113.1	Y317 F346	Y317-E348 WeakPolarHBondContact OH-CB 3.12Å; Y317-E348 PolarHBondContact OH-OE2 3.01Å; F346-E348 PolarHBondContact O-N 3.03Å
349	V	60.5	Low	73	Confident	23 Å²	23	66.7 Å²	66.7	14%	0.139	30%	0.3	C	S	.	.			trans	-121.1	108.7	-168.3	-174.8	0	0	0	0	110.2	Y317 Y322 R351	Y317-V349 HydrophobicContact CE2-CG2 3.96Å; Y317-V349 WeakPolarHBondContact OH-CG2 3.5Å; Y322-V349 HydrophobicContact CD1-CG1 4.5Å; Y322-V349 HydrophobicContact CD1-CG2 4.39Å; Y322-V349 HydrophobicContact CD2-CG1 4.49Å; Y322-V349 HydrophobicContact CE1-CG1 4.39Å; Y322-V349 HydrophobicContact CE1-CG2 3.77Å; Y322-V349 HydrophobicContact CE2-CG1 4.37Å; V349-R351 HydrophobicContact CG1-CB 4.09Å; V349-R351 HydrophobicContact CG1-CG 3.75Å; V349-R351 PolarHBondContact O-N 3.29Å
350	R	66.5	Low	73.4	Confident	253 Å²	253	67.2 Å²	67.2	96%	0.955	30%	0.298	S	S	*	.			trans	-68.3	44.5	179.7	-61.8	-177.7	-178.1	179.5	0.6	114.3
351	R	69.5	Low	73.7	Confident	125 Å²	125	64.1 Å²	64.1	47%	0.472	29%	0.29	S	S	.	.			trans	-110.6	94.1	-178.3	-70.4	-174.8	-174.1	-154	5.4	110.6	V349 D353 N354	V349-R351 HydrophobicContact CG1-CB 4.09Å; V349-R351 HydrophobicContact CG1-CG 3.75Å; V349-R351 PolarHBondContact O-N 3.29Å; R351-D353 VanDerWaalsContact C-N 3.3Å; R351-D353 PolarHBondContact O-N 2.94Å; R351-N354 HydrophobicContact CB-CB 4.45Å
352	I	75.8	Confident	74	Confident	57 Å²	57	64.1 Å²	64.1	29%	0.292	29%	0.29	S	S	.	.	H	α-helix	trans	-64.1	-36.6	-179.7	-55.7	173.7	0	0	0	110.6	N354 L355 V356 C379 K382 Q383	I352-N354 PolarHBondContact O-N 2.91Å; I352-L355 WeakPolarHBondContact O-CA 3.19Å; I352-L355 WeakPolarHBondContact O-CB 3.43Å; I352-L355 PolarHBondContact O-N 3.15Å; I352-V356 HydrophobicContact CG2-CG2 4.24Å; I352-V356 WeakPolarHBondContact O-CG2 3.39Å; I352-V356 PolarHBondContact O-N 3.46Å; I352-C379 HydrophobicContact CG2-CB 3.68Å; I352-K382 HydrophobicContact CD1-CB 4.13Å; I352-K382 HydrophobicContact CD1-CD 4.04Å; I352-Q383 HydrophobicContact CG2-CG 4.13Å
353	D	79	Confident	74.1	Confident	104 Å²	104	66 Å²	66	56%	0.556	30%	0.298	S	S	*	.	H	α-helix	trans	-61.6	-44.6	-175.6	-52.3	-42.7	0	0	0	112.9	R351 L355 V356 E357 Q383	R351-D353 VanDerWaalsContact C-N 3.3Å; R351-D353 PolarHBondContact O-N 2.94Å; D353-L355 VanDerWaalsContact C-N 3.27Å; D353-L355 PolarHBondContact O-N 3.18Å; D353-V356 PolarHBondContact O-N 3.37Å; D353-E357 PolarHBondContact O-N 3.49Å; D353-E357 VanDerWaalsContact O-N 3.08Å; D353-Q383 PolarHBondContact OD1-NE2 3.48Å
354	N	77.1	Confident	74.6	Confident	13 Å²	13	66.6 Å²	66.6	7%	0.07	31%	0.307	C	S	.	.	H	α-helix	trans	-67.1	-29.8	176.9	-72.5	-13.9	0	0	0	112.4	F326 F346 R351 I352 Y358	F326-N354 HydrophobicContact CD2-CB 3.43Å; F326-N354 VanDerWaalsContact CD2-CB 3.43Å; F326-N354 HydrophobicContact CE2-CB 3.3Å; F326-N354 WeakPolarHBondContact CE2-ND2 3.29Å; F326-N354 HydrophobicContact CG-CB 4.17Å; F326-N354 HydrophobicContact CZ-CB 3.93Å; F346-N354 HydrophobicContact CE1-CB 4.31Å; R351-N354 HydrophobicContact CB-CB 4.45Å; I352-N354 PolarHBondContact O-N 2.91Å; N354-Y358 PolarHBondContact O-N 3.35Å
355	L	82.1	Confident	75.1	Confident	20 Å²	20	65.1 Å²	65.1	11%	0.105	31%	0.311	C	S	.	.	H	α-helix	trans	-69.8	-43.3	176.4	-175.4	51.7	0	0	0	110.6	F346 I352 D353 Y358 L359 C379	F346-L355 HydrophobicContact CD1-CB 3.62Å; F346-L355 HydrophobicContact CD1-CD1 3.86Å; F346-L355 HydrophobicContact CD1-CD2 4.14Å; F346-L355 HydrophobicContact CD1-CG 4.06Å; F346-L355 HydrophobicContact CD2-CD1 3.7Å; F346-L355 HydrophobicContact CE1-CB 3.23Å; F346-L355 HydrophobicContact CE1-CD1 3.76Å; F346-L355 HydrophobicContact CE1-CG 3.97Å; F346-L355 VanDerWaalsContact CE1-N 3.28Å; F346-L355 HydrophobicContact CE2-CD1 3.49Å; F346-L355 VanDerWaalsContact CE2-CD1 3.49Å; F346-L355 HydrophobicContact CG-CB 4.43Å; F346-L355 HydrophobicContact CG-CD1 3.79Å; F346-L355 HydrophobicContact CG-CD2 4.36Å; F346-L355 HydrophobicContact CG-CG 4.41Å; F346-L355 HydrophobicContact CZ-CB 3.69Å; F346-L355 HydrophobicContact CZ-CD1 3.49Å; F346-L355 VanDerWaalsContact CZ-CD1 3.49Å; F346-L355 HydrophobicContact CZ-CG 4.15Å; I352-L355 WeakPolarHBondContact O-CA 3.19Å; I352-L355 WeakPolarHBondContact O-CB 3.43Å; I352-L355 PolarHBondContact O-N 3.15Å; D353-L355 VanDerWaalsContact C-N 3.27Å; D353-L355 PolarHBondContact O-N 3.18Å; L355-Y358 PolarHBondContact O-N 3.29Å; L355-L359 HydrophobicContact CD1-CD1 3.82Å; L355-L359 HydrophobicContact CD1-CG 3.9Å; L355-L359 HydrophobicContact CG-CD1 3.78Å; L355-L359 HydrophobicContact CG-CG 4.29Å; L355-L359 WeakPolarHBondContact O-CB 3.49Å; L355-L359 VanDerWaalsContact O-CG 3.27Å; L355-L359 WeakPolarHBondContact O-CG 3.42Å; L355-L359 PolarHBondContact O-N 2.8Å; L355-C379 VanDerWaalsContact CD2-SG 3.59Å
356	V	80.7	Confident	75.7	Confident	4 Å²	4	68 Å²	68	2%	0.024	34%	0.341	C	S	.	.	H	α-helix	trans	-59.6	-49.9	175.9	171	0	0	0	0	110.3	I352 D353 Y358 L359 E360 L376 C379 Y380	I352-V356 HydrophobicContact CG2-CG2 4.24Å; I352-V356 WeakPolarHBondContact O-CG2 3.39Å; I352-V356 PolarHBondContact O-N 3.46Å; D353-V356 PolarHBondContact O-N 3.37Å; V356-Y358 VanDerWaalsContact C-N 3.31Å; V356-Y358 PolarHBondContact O-N 2.96Å; V356-L359 PolarHBondContact O-N 3.29Å; V356-E360 HydrophobicContact CG1-CG 4.17Å; V356-E360 WeakPolarHBondContact CG1-OE1 3.41Å; V356-E360 WeakPolarHBondContact O-CB 3.01Å; V356-E360 VanDerWaalsContact O-CG 3.28Å; V356-E360 WeakPolarHBondContact O-CG 2.9Å; V356-E360 PolarHBondContact O-N 2.82Å; V356-L376 HydrophobicContact CG1-CD1 4.24Å; V356-L376 HydrophobicContact CG2-CD1 4.39Å; V356-C379 HydrophobicContact CG2-CB 3.59Å; V356-Y380 HydrophobicContact CG1-CD1 4.35Å; V356-Y380 HydrophobicContact CG1-CE1 3.55Å; V356-Y380 HydrophobicContact CG2-CD1 4.44Å; V356-Y380 HydrophobicContact CG2-CE1 4.38Å
357	E	82.2	Confident	76.2	Confident	91 Å²	91	71.5 Å²	71.5	43%	0.425	36%	0.358	S	S	.	.	H	α-helix	trans	-60	-40.4	179.4	-169.7	-179.2	173.9	0	0	112.2	D353 A361	D353-E357 PolarHBondContact O-N 3.49Å; D353-E357 VanDerWaalsContact O-N 3.08Å; E357-A361 WeakPolarHBondContact O-CB 3.43Å; E357-A361 PolarHBondContact O-N 2.93Å; E357-A361 VanDerWaalsContact O-N 3.1Å
358	Y	82.6	Confident	76.6	Confident	3 Å²	3	65.9 Å²	65.9	1%	0.012	34%	0.336	C	S	.	.	H	α-helix	trans	-67.9	-45.4	176.9	179.7	-108.1	0	0	0	112.5	F326 I333 T338 V341 I342 F346 N354 L355 V356 A361 V362	F326-Y358 HydrophobicContact CD1-CG 4.49Å; I333-Y358 HydrophobicContact CD1-CE2 4.25Å; I333-Y358 HydrophobicContact CG1-CE2 4.08Å; T338-Y358 HydrophobicContact CG2-CE1 3.62Å; V341-Y358 HydrophobicContact CB-CE1 4.06Å; V341-Y358 HydrophobicContact CG1-CD1 4.48Å; V341-Y358 HydrophobicContact CG1-CE1 3.92Å; V341-Y358 HydrophobicContact CG1-CE2 4.1Å; V341-Y358 WeakPolarHBondContact CG2-OH 3.4Å; I342-Y358 HydrophobicContact CG1-CE1 4.28Å; F346-Y358 HydrophobicContact CE2-CD1 4.35Å; N354-Y358 PolarHBondContact O-N 3.35Å; L355-Y358 PolarHBondContact O-N 3.29Å; V356-Y358 VanDerWaalsContact C-N 3.31Å; V356-Y358 PolarHBondContact O-N 2.96Å; Y358-A361 PolarHBondContact O-N 3.3Å; Y358-V362 HydrophobicContact CD1-CG2 4.36Å; Y358-V362 HydrophobicContact CE1-CG2 3.99Å; Y358-V362 HydrophobicContact CE2-CG2 4.36Å; Y358-V362 VanDerWaalsContact O-CG2 3.31Å; Y358-V362 WeakPolarHBondContact O-CG2 3.35Å; Y358-V362 PolarHBondContact O-N 3.12Å
359	L	82.1	Confident	77.3	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-66.9	-40.9	179.1	-71.6	174.7	0	0	0	111.5	I342 L355 V356 A361 V362 F363 H372 L375 L376	I342-L359 HydrophobicContact CD1-CD2 4.06Å; L355-L359 HydrophobicContact CD1-CD1 3.82Å; L355-L359 HydrophobicContact CD1-CG 3.9Å; L355-L359 HydrophobicContact CG-CD1 3.78Å; L355-L359 HydrophobicContact CG-CG 4.29Å; L355-L359 WeakPolarHBondContact O-CB 3.49Å; L355-L359 VanDerWaalsContact O-CG 3.27Å; L355-L359 WeakPolarHBondContact O-CG 3.42Å; L355-L359 PolarHBondContact O-N 2.8Å; V356-L359 PolarHBondContact O-N 3.29Å; L359-A361 VanDerWaalsContact C-N 3.3Å; L359-A361 PolarHBondContact O-N 3.43Å; L359-V362 WeakPolarHBondContact O-CB 3.46Å; L359-V362 PolarHBondContact O-N 3.1Å; L359-V362 VanDerWaalsContact O-N 3.11Å; L359-F363 VanDerWaalsContact O-CD2 3.27Å; L359-F363 WeakPolarHBondContact O-CD2 3.07Å; L359-F363 PolarHBondContact O-N 3.41Å; L359-H372 HydrophobicContact CD2-CB 4.15Å; L359-L375 HydrophobicContact CD1-CB 4.04Å; L359-L376 HydrophobicContact CB-CB 4.33Å; L359-L376 HydrophobicContact CB-CD1 3.95Å; L359-L376 HydrophobicContact CD1-CB 3.98Å; L359-L376 HydrophobicContact CD1-CD1 4.34Å
360	E	82.6	Confident	77.7	Confident	46 Å²	46	65.9 Å²	65.9	22%	0.215	34%	0.344	C	S	.	.	H	α-helix	trans	-56.2	-44.7	172	-75.5	178	178.8	0	0	110.7	V356 V362 F363 Q364 Y380 K388	V356-E360 HydrophobicContact CG1-CG 4.17Å; V356-E360 WeakPolarHBondContact CG1-OE1 3.41Å; V356-E360 WeakPolarHBondContact O-CB 3.01Å; V356-E360 VanDerWaalsContact O-CG 3.28Å; V356-E360 WeakPolarHBondContact O-CG 2.9Å; V356-E360 PolarHBondContact O-N 2.82Å; E360-V362 VanDerWaalsContact C-N 3.34Å; E360-V362 PolarHBondContact O-N 3.26Å; E360-F363 PolarHBondContact O-N 3Å; E360-Q364 WeakPolarHBondContact O-CG 3.24Å; E360-Q364 PolarHBondContact O-N 3.34Å; E360-Y380 WeakPolarHBondContact CG-OH 3.11Å; E360-Y380 PolarHBondContact OE1-OH 3.41Å; E360-K388 IonicContact OE1-NZ 2.58Å; E360-K388 PolarHBondContact OE1-NZ 3.5Å; E360-K388 IonicContact OE2-NZ 3.65Å
361	A	82.8	Confident	78	Confident	21 Å²	21	60.3 Å²	60.3	17%	0.174	33%	0.329	C	S	.	.	H	α-helix	trans	-64.8	-34.2	175.9	0	0	0	0	0	113.3	I333 E357 Y358 L359 Q364 A365	I333-A361 HydrophobicContact CD1-CB 3.73Å; E357-A361 WeakPolarHBondContact O-CB 3.43Å; E357-A361 PolarHBondContact O-N 2.93Å; E357-A361 VanDerWaalsContact O-N 3.1Å; Y358-A361 PolarHBondContact O-N 3.3Å; L359-A361 VanDerWaalsContact C-N 3.3Å; L359-A361 PolarHBondContact O-N 3.43Å; A361-Q364 PolarHBondContact O-N 2.99Å; A361-A365 WeakPolarHBondContact O-CB 3.43Å; A361-A365 PolarHBondContact O-N 3.11Å
362	V	84.1	Confident	78.3	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.9	-41.5	175.3	170.6	0	0	0	0	111.2	I333 T338 Y358 L359 E360 A365 G366 Q367	I333-V362 HydrophobicContact CD1-CB 4.49Å; I333-V362 HydrophobicContact CD1-CG2 3.75Å; I333-V362 HydrophobicContact CG1-CG2 4.1Å; I333-V362 HydrophobicContact CG2-CG2 4.43Å; T338-V362 HydrophobicContact CG2-CG1 4.23Å; T338-V362 HydrophobicContact CG2-CG2 3.74Å; Y358-V362 HydrophobicContact CD1-CG2 4.36Å; Y358-V362 HydrophobicContact CE1-CG2 3.99Å; Y358-V362 HydrophobicContact CE2-CG2 4.36Å; Y358-V362 VanDerWaalsContact O-CG2 3.31Å; Y358-V362 WeakPolarHBondContact O-CG2 3.35Å; Y358-V362 PolarHBondContact O-N 3.12Å; L359-V362 WeakPolarHBondContact O-CB 3.46Å; L359-V362 PolarHBondContact O-N 3.1Å; L359-V362 VanDerWaalsContact O-N 3.11Å; E360-V362 VanDerWaalsContact C-N 3.34Å; E360-V362 PolarHBondContact O-N 3.26Å; V362-A365 PolarHBondContact O-N 3.02Å; V362-G366 PolarHBondContact O-N 3.21Å; V362-Q367 HydrophobicContact CG1-CB 4.23Å; V362-Q367 WeakPolarHBondContact CG1-O 3.28Å; V362-Q367 PolarHBondContact O-N 3.08Å; V362-Q367 VanDerWaalsContact O-N 3.14Å
363	F	78.4	Confident	78.1	Confident	66 Å²	66	52.5 Å²	52.5	29%	0.289	30%	0.298	S	S	.	.	H	α-helix	trans	-66.9	-42.4	174.9	-84.3	-74.4	0	0	0	112	L359 E360 A365 G366 H372 A373 L376	L359-F363 VanDerWaalsContact O-CD2 3.27Å; L359-F363 WeakPolarHBondContact O-CD2 3.07Å; L359-F363 PolarHBondContact O-N 3.41Å; E360-F363 PolarHBondContact O-N 3Å; F363-A365 PolarHBondContact O-N 3.41Å; F363-G366 PolarHBondContact O-N 3.12Å; F363-H372 HydrophobicContact CE2-CB 4.03Å; F363-H372 HydrophobicContact CZ-CB 4.14Å; F363-A373 HydrophobicContact CE1-CB 4.49Å; F363-A373 HydrophobicContact CZ-CB 3.73Å; F363-L376 HydrophobicContact CD2-CD2 3.76Å; F363-L376 HydrophobicContact CE2-CB 4.41Å; F363-L376 HydrophobicContact CE2-CD2 3.84Å
364	Q	81.9	Confident	77.7	Confident	169 Å²	169	49.9 Å²	49.9	79%	0.79	28%	0.283	S	S	*	.	H	α-helix	trans	-60.8	-30.7	174.5	-73.3	176.2	3.2	0	0	112.9	E360 A361 G366	E360-Q364 WeakPolarHBondContact O-CG 3.24Å; E360-Q364 PolarHBondContact O-N 3.34Å; A361-Q364 PolarHBondContact O-N 2.99Å; Q364-G366 VanDerWaalsContact C-N 3.31Å
365	A	80.1	Confident	77.8	Confident	56 Å²	56	52.2 Å²	52.2	46%	0.463	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-0.9	175.6	0	0	0	0	0	114.2	I333 A361 V362 F363 Q367	I333-A365 HydrophobicContact CB-CB 4.5Å; I333-A365 HydrophobicContact CG2-CB 3.6Å; A361-A365 WeakPolarHBondContact O-CB 3.43Å; A361-A365 PolarHBondContact O-N 3.11Å; V362-A365 PolarHBondContact O-N 3.02Å; F363-A365 PolarHBondContact O-N 3.41Å; A365-Q367 VanDerWaalsContact C-N 3.31Å; A365-Q367 PolarHBondContact O-N 3.39Å
366	G	76.8	Confident	77.6	Confident	62 Å²	62	51.3 Å²	51.3	64%	0.639	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	17.6	-179.8	0	0	0	0	0	115.1	V362 F363 Q364	V362-G366 PolarHBondContact O-N 3.21Å; F363-G366 PolarHBondContact O-N 3.12Å; Q364-G366 VanDerWaalsContact C-N 3.31Å
367	Q	76.2	Confident	77.2	Confident	102 Å²	102	51.6 Å²	51.6	48%	0.477	29%	0.292	S	S	.	.			trans	-105.6	20.2	-179.9	-63.5	-70.8	-49.6	0	0	112.1	I333 V362 A365 H372	I333-Q367 HydrophobicContact CG2-CB 4.38Å; I333-Q367 HydrophobicContact CG2-CG 4.32Å; V362-Q367 HydrophobicContact CG1-CB 4.23Å; V362-Q367 WeakPolarHBondContact CG1-O 3.28Å; V362-Q367 PolarHBondContact O-N 3.08Å; V362-Q367 VanDerWaalsContact O-N 3.14Å; A365-Q367 VanDerWaalsContact C-N 3.31Å; A365-Q367 PolarHBondContact O-N 3.39Å; Q367-H372 PolarHBondContact O-ND1 3.1Å
368	G	69.8	Low	76.8	Confident	29 Å²	29	50.9 Å²	50.9	30%	0.299	29%	0.291	S	S	.	.			trans	-75.3	125.4	179.3	0	0	0	0	0	111.7
369	N	73	Confident	76.5	Confident	99 Å²	99	51.2 Å²	51.2	53%	0.529	29%	0.294	S	S	.	.			trans	-103.9	167.1	172.8	-69.1	6.8	0	0	0	109.5	E371 H372 A373	N369-E371 PolarHBondContact O-N 3.48Å; N369-H372 PolarHBondContact N-ND1 3.42Å; N369-H372 WeakPolarHBondContact O-CB 3.46Å; N369-H372 PolarHBondContact O-N 3.23Å; N369-A373 PolarHBondContact O-N 3.04Å
370	S	67.7	Low	76.3	Confident	63 Å²	63	51.7 Å²	51.7	44%	0.441	30%	0.296	S	S	.	.	H	α-helix	trans	-52.8	-38.9	174	52.1	0	0	0	0	112.9	A373 N374 Q398	S370-A373 WeakPolarHBondContact O-CB 3.45Å; S370-A373 PolarHBondContact O-N 3.06Å; S370-N374 VanDerWaalsContact O-CG 3.28Å; S370-N374 PolarHBondContact O-N 2.95Å; S370-N374 PolarHBondContact O-ND2 3.33Å; S370-Q398 VanDerWaalsContact CB-NE2 3.34Å
371	E	73.6	Confident	75.7	Confident	136 Å²	136	51.3 Å²	51.3	64%	0.636	30%	0.298	S	S	*	.	H	α-helix	trans	-63.9	-41.2	175.3	-64.7	-175.1	172.9	0	0	112.7	N369 A373 N374 L375	N369-E371 PolarHBondContact O-N 3.48Å; E371-A373 VanDerWaalsContact C-N 3.31Å; E371-A373 PolarHBondContact O-N 3.17Å; E371-N374 PolarHBondContact O-N 3.27Å; E371-L375 WeakPolarHBondContact O-CB 3.31Å; E371-L375 WeakPolarHBondContact O-CG 3.17Å; E371-L375 PolarHBondContact O-N 2.87Å
372	H	75.3	Confident	75.2	Confident	14 Å²	14	58.3 Å²	58.3	7%	0.065	33%	0.325	C	S	.	.	H	α-helix	trans	-65.1	-38	176.3	-59.2	148.8	0	0	0	111.1	T338 L359 F363 Q367 N369 L375 L376	T338-H372 VanDerWaalsContact CB-CE1 3.5Å; T338-H372 WeakPolarHBondContact CB-CE1 3.39Å; T338-H372 WeakPolarHBondContact CB-NE2 3.38Å; T338-H372 WeakPolarHBondContact CG2-NE2 3.4Å; L359-H372 HydrophobicContact CD2-CB 4.15Å; F363-H372 HydrophobicContact CE2-CB 4.03Å; F363-H372 HydrophobicContact CZ-CB 4.14Å; Q367-H372 PolarHBondContact O-ND1 3.1Å; N369-H372 PolarHBondContact N-ND1 3.42Å; N369-H372 WeakPolarHBondContact O-CB 3.46Å; N369-H372 PolarHBondContact O-N 3.23Å; H372-L375 PolarHBondContact O-N 3.38Å; H372-L376 WeakPolarHBondContact O-CB 3.46Å; H372-L376 PolarHBondContact O-N 2.82Å
373	A	72	Confident	74.7	Confident	5 Å²	5	60.5 Å²	60.5	4%	0.041	34%	0.335	C	S	.	.	H	α-helix	trans	-62.6	-49.3	175.7	0	0	0	0	0	111.4	F363 N369 S370 E371 L375 L376 L377 L394	F363-A373 HydrophobicContact CE1-CB 4.49Å; F363-A373 HydrophobicContact CZ-CB 3.73Å; N369-A373 PolarHBondContact O-N 3.04Å; S370-A373 WeakPolarHBondContact O-CB 3.45Å; S370-A373 PolarHBondContact O-N 3.06Å; E371-A373 VanDerWaalsContact C-N 3.31Å; E371-A373 PolarHBondContact O-N 3.17Å; A373-L375 VanDerWaalsContact C-N 3.32Å; A373-L375 PolarHBondContact O-N 3.47Å; A373-L376 PolarHBondContact O-N 3.17Å; A373-L377 VanDerWaalsContact O-CB 3.31Å; A373-L377 WeakPolarHBondContact O-CB 3.48Å; A373-L377 PolarHBondContact O-N 3.03Å; A373-L394 HydrophobicContact CB-CD2 3.26Å
374	N	71.7	Confident	74.3	Confident	48 Å²	48	59.5 Å²	59.5	26%	0.257	34%	0.344	S	S	.	.	H	α-helix	trans	-60.5	-41.7	176.7	-71.4	-25.8	0	0	0	111.9	S370 E371 N378 L402	S370-N374 VanDerWaalsContact O-CG 3.28Å; S370-N374 PolarHBondContact O-N 2.95Å; S370-N374 PolarHBondContact O-ND2 3.33Å; E371-N374 PolarHBondContact O-N 3.27Å; N374-N378 WeakPolarHBondContact O-CB 3.43Å; N374-N378 VanDerWaalsContact O-CG 3.26Å; N374-N378 PolarHBondContact O-N 2.68Å; N374-N378 PolarHBondContact O-ND2 3.38Å; N374-L402 WeakPolarHBondContact OD1-CD1 3.17Å
375	L	78.5	Confident	73.6	Confident	63 Å²	63	57 Å²	57	33%	0.33	33%	0.327	S	S	.	.	H	α-helix	trans	-64.8	-46.1	176.2	-75.3	168.9	0	0	0	112	I342 L359 E371 H372 A373 L377 N378 C379	I342-L375 HydrophobicContact CD1-CD1 4.12Å; I342-L375 HydrophobicContact CG2-CD1 4.36Å; L359-L375 HydrophobicContact CD1-CB 4.04Å; E371-L375 WeakPolarHBondContact O-CB 3.31Å; E371-L375 WeakPolarHBondContact O-CG 3.17Å; E371-L375 PolarHBondContact O-N 2.87Å; H372-L375 PolarHBondContact O-N 3.38Å; A373-L375 VanDerWaalsContact C-N 3.32Å; A373-L375 PolarHBondContact O-N 3.47Å; L375-L377 VanDerWaalsContact C-N 3.32Å; L375-L377 PolarHBondContact O-N 3.42Å; L375-N378 PolarHBondContact O-N 3.31Å; L375-C379 PolarHBondContact O-N 3.3Å; L375-C379 PolarHBondContact O-SG 3.24Å
376	L	78.2	Confident	72.9	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-62.4	-42.4	179	-178.3	59.1	0	0	0	111.1	V356 L359 F363 H372 A373 C379 Y380 L392	V356-L376 HydrophobicContact CG1-CD1 4.24Å; V356-L376 HydrophobicContact CG2-CD1 4.39Å; L359-L376 HydrophobicContact CB-CB 4.33Å; L359-L376 HydrophobicContact CB-CD1 3.95Å; L359-L376 HydrophobicContact CD1-CB 3.98Å; L359-L376 HydrophobicContact CD1-CD1 4.34Å; F363-L376 HydrophobicContact CD2-CD2 3.76Å; F363-L376 HydrophobicContact CE2-CB 4.41Å; F363-L376 HydrophobicContact CE2-CD2 3.84Å; H372-L376 WeakPolarHBondContact O-CB 3.46Å; H372-L376 PolarHBondContact O-N 2.82Å; A373-L376 PolarHBondContact O-N 3.17Å; L376-C379 WeakPolarHBondContact O-CB 3.23Å; L376-C379 PolarHBondContact O-N 2.9Å; L376-C379 VanDerWaalsContact O-N 3.13Å; L376-Y380 HydrophobicContact CD1-CD2 4.5Å; L376-Y380 HydrophobicContact CD1-CE1 4.01Å; L376-Y380 HydrophobicContact CD1-CE2 4Å; L376-Y380 HydrophobicContact CD2-CE2 4.12Å; L376-Y380 HydrophobicContact CG-CD2 4.2Å; L376-Y380 HydrophobicContact CG-CE2 3.78Å; L376-Y380 PolarHBondContact O-N 3Å; L376-L392 HydrophobicContact CD2-CD1 4Å; L376-L392 HydrophobicContact CD2-CD2 3.81Å; L376-L392 HydrophobicContact CG-CD1 4.22Å
377	L	71.4	Confident	72.5	Confident	9 Å²	9	63.1 Å²	63.1	5%	0.047	33%	0.331	C	S	.	.	H	α-helix	trans	-65.4	-42.1	178.8	-170.6	68.6	0	0	0	112.4	A373 L375 C379 Y380 S381 I389 L394 L402	A373-L377 VanDerWaalsContact O-CB 3.31Å; A373-L377 WeakPolarHBondContact O-CB 3.48Å; A373-L377 PolarHBondContact O-N 3.03Å; L375-L377 VanDerWaalsContact C-N 3.32Å; L375-L377 PolarHBondContact O-N 3.42Å; L377-C379 PolarHBondContact O-N 2.95Å; L377-Y380 PolarHBondContact O-N 3.36Å; L377-S381 WeakPolarHBondContact O-CB 3.27Å; L377-S381 PolarHBondContact O-N 3.28Å; L377-I389 HydrophobicContact CD1-CB 4.33Å; L377-I389 HydrophobicContact CD1-CD1 4.36Å; L377-I389 HydrophobicContact CD1-CG1 4.13Å; L377-I389 HydrophobicContact CD1-CG2 3.32Å; L377-L394 HydrophobicContact CD1-CD1 4.35Å; L377-L394 HydrophobicContact CD2-CD1 3.98Å; L377-L402 HydrophobicContact CD2-CB 3.24Å; L377-L402 HydrophobicContact CD2-CD1 3.18Å; L377-L402 HydrophobicContact CD2-CD2 4.02Å; L377-L402 HydrophobicContact CD2-CG 3.59Å; L377-L402 HydrophobicContact CG-CD1 4.49Å
378	N	74.2	Confident	72	Confident	76 Å²	76	61 Å²	61	41%	0.406	32%	0.321	S	S	.	.	H	α-helix	trans	-61.1	-35.2	172.5	-75.7	-29.2	0	0	0	111.9	N374 L375 K382	N374-N378 WeakPolarHBondContact O-CB 3.43Å; N374-N378 VanDerWaalsContact O-CG 3.26Å; N374-N378 PolarHBondContact O-N 2.68Å; N374-N378 PolarHBondContact O-ND2 3.38Å; L375-N378 PolarHBondContact O-N 3.31Å; N378-K382 WeakPolarHBondContact O-CG 3.45Å; N378-K382 PolarHBondContact O-N 3.45Å
379	C	76.6	Confident	71.7	Confident	11 Å²	11	60.4 Å²	60.4	7%	0.074	31%	0.31	C	S	.	.	H	α-helix	trans	-68.2	-45.1	175.3	-65.4	0	0	0	0	112	I352 L355 V356 L375 L376 L377 K382 Q383	I352-C379 HydrophobicContact CG2-CB 3.68Å; L355-C379 VanDerWaalsContact CD2-SG 3.59Å; V356-C379 HydrophobicContact CG2-CB 3.59Å; L375-C379 PolarHBondContact O-N 3.3Å; L375-C379 PolarHBondContact O-SG 3.24Å; L376-C379 WeakPolarHBondContact O-CB 3.23Å; L376-C379 PolarHBondContact O-N 2.9Å; L376-C379 VanDerWaalsContact O-N 3.13Å; L377-C379 PolarHBondContact O-N 2.95Å; C379-K382 PolarHBondContact O-N 3.5Å; C379-Q383 PolarHBondContact O-N 2.77Å
380	Y	76.9	Confident	71.1	Confident	10 Å²	10	60.6 Å²	60.6	4%	0.039	31%	0.311	C	S	.	.	H	α-helix	trans	-64.6	-39.2	176.4	-71.6	-27.8	0	0	0	113.1	V356 E360 L376 L377 K382 Q383 G384 R385 K388 I389 L392	V356-Y380 HydrophobicContact CG1-CD1 4.35Å; V356-Y380 HydrophobicContact CG1-CE1 3.55Å; V356-Y380 HydrophobicContact CG2-CD1 4.44Å; V356-Y380 HydrophobicContact CG2-CE1 4.38Å; E360-Y380 WeakPolarHBondContact CG-OH 3.11Å; E360-Y380 PolarHBondContact OE1-OH 3.41Å; L376-Y380 HydrophobicContact CD1-CD2 4.5Å; L376-Y380 HydrophobicContact CD1-CE1 4.01Å; L376-Y380 HydrophobicContact CD1-CE2 4Å; L376-Y380 HydrophobicContact CD2-CE2 4.12Å; L376-Y380 HydrophobicContact CG-CD2 4.2Å; L376-Y380 HydrophobicContact CG-CE2 3.78Å; L376-Y380 PolarHBondContact O-N 3Å; L377-Y380 PolarHBondContact O-N 3.36Å; Y380-K382 VanDerWaalsContact C-N 3.31Å; Y380-K382 PolarHBondContact O-N 3.39Å; Y380-Q383 CarbonylContact O-C 3.59Å; Y380-Q383 PolarHBondContact O-N 3.08Å; Y380-Q383 VanDerWaalsContact O-N 3.15Å; Y380-G384 PolarHBondContact O-N 3.39Å; Y380-R385 PolarHBondContact O-N 2.87Å; Y380-K388 HydrophobicContact CD1-CB 4.45Å; Y380-K388 HydrophobicContact CD2-CB 4.25Å; Y380-K388 HydrophobicContact CE1-CB 4.11Å; Y380-K388 HydrophobicContact CE1-CD 3.72Å; Y380-K388 HydrophobicContact CE2-CB 3.86Å; Y380-I389 HydrophobicContact CD2-CG1 4.07Å; Y380-I389 HydrophobicContact CG-CG1 4.31Å; Y380-L392 HydrophobicContact CD2-CD1 3.68Å; Y380-L392 HydrophobicContact CE2-CD1 3.43Å; Y380-L392 VanDerWaalsContact CE2-CD1 3.43Å; Y380-L392 HydrophobicContact CE2-CG 4.06Å
381	S	69.9	Low	70.9	Confident	37 Å²	37	65 Å²	65	26%	0.259	33%	0.325	S	S	.	.	H	α-helix	trans	-58.6	-43.6	174.5	-175.9	0	0	0	0	111.3	L377 Q383 G384 C406	L377-S381 WeakPolarHBondContact O-CB 3.27Å; L377-S381 PolarHBondContact O-N 3.28Å; S381-Q383 PolarHBondContact O-N 3.35Å; S381-G384 PolarHBondContact O-N 3.14Å; S381-C406 PolarHBondContact OG-SG 3.24Å
382	K	73.7	Confident	70.4	Confident	168 Å²	168	60.1 Å²	60.1	73%	0.73	30%	0.303	S	S	*	.	H	α-helix	trans	-68.9	-27.2	175.5	-73.8	-176.5	178.2	-175.7	0	114.4	I352 N378 C379 Y380	I352-K382 HydrophobicContact CD1-CB 4.13Å; I352-K382 HydrophobicContact CD1-CD 4.04Å; N378-K382 WeakPolarHBondContact O-CG 3.45Å; N378-K382 PolarHBondContact O-N 3.45Å; C379-K382 PolarHBondContact O-N 3.5Å; Y380-K382 VanDerWaalsContact C-N 3.31Å; Y380-K382 PolarHBondContact O-N 3.39Å
383	Q	73.8	Confident	69.6	Low	46 Å²	46	69 Å²	69	22%	0.215	34%	0.344	C	S	.	.	H	α-helix	trans	-89.3	-6.9	178.3	-75.7	-179.6	-8.6	0	0	113.7	I352 D353 C379 Y380 S381 R385	I352-Q383 HydrophobicContact CG2-CG 4.13Å; D353-Q383 PolarHBondContact OD1-NE2 3.48Å; C379-Q383 PolarHBondContact O-N 2.77Å; Y380-Q383 CarbonylContact O-C 3.59Å; Y380-Q383 PolarHBondContact O-N 3.08Å; Y380-Q383 VanDerWaalsContact O-N 3.15Å; S381-Q383 PolarHBondContact O-N 3.35Å; Q383-R385 HydrophobicContact CB-CG 4.2Å; Q383-R385 PolarHBondContact O-N 3.36Å
384	G	68.5	Low	69	Low	46 Å²	46	69.9 Å²	69.9	47%	0.474	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	67	14.8	-176.9	0	0	0	0	0	114.8	Y380 S381 K386	Y380-G384 PolarHBondContact O-N 3.39Å; S381-G384 PolarHBondContact O-N 3.14Å; G384-K386 PolarHBondContact O-N 2.99Å
385	R	68.8	Low	68.3	Low	116 Å²	116	71.3 Å²	71.3	44%	0.438	36%	0.36	S	S	.	.			trans	-81.3	77.2	-178.5	-72.7	-174.2	175.4	179.8	-1.5	111.3	Y380 Q383 D387 K388 I389	Y380-R385 PolarHBondContact O-N 2.87Å; Q383-R385 HydrophobicContact CB-CG 4.2Å; Q383-R385 PolarHBondContact O-N 3.36Å; R385-D387 PolarHBondContact O-N 3.31Å; R385-K388 HydrophobicContact CB-CB 4.47Å; R385-K388 PolarHBondContact O-N 2.83Å; R385-I389 WeakPolarHBondContact O-CG1 3.48Å
386	K	64.5	Low	67.3	Low	125 Å²	125	73.3 Å²	73.3	54%	0.543	37%	0.367	S	S	.	.	H	α-helix	trans	-58.8	-45.4	-177.8	-63.4	-178.6	-174.5	178.2	0	112.6	G384 K388 I389 D390 Y408	G384-K386 PolarHBondContact O-N 2.99Å; K386-K388 VanDerWaalsContact C-N 3.29Å; K386-K388 PolarHBondContact O-N 3.36Å; K386-I389 WeakPolarHBondContact O-CB 3.18Å; K386-I389 PolarHBondContact O-N 3.39Å; K386-D390 PolarHBondContact O-N 3.02Å; K386-Y408 HydrophobicContact CD-CE1 4.39Å
387	D	67.8	Low	66.3	Low	121 Å²	121	79.1 Å²	79.1	65%	0.647	40%	0.397	S	S	*	.	H	α-helix	trans	-60.3	-35.8	-175.1	-42.3	-29.7	0	0	0	113.3	R385 I389 D390	R385-D387 PolarHBondContact O-N 3.31Å; D387-I389 VanDerWaalsContact C-N 3.3Å; D387-I389 PolarHBondContact O-N 3.38Å; D387-D390 PolarHBondContact O-N 3.01Å
388	K	65.3	Low	65.7	Low	59 Å²	59	81.1 Å²	81.1	26%	0.257	41%	0.407	S	S	.	.	H	α-helix	trans	-73.6	-24.3	178.9	-71.6	-158.1	176.6	-157.7	0	112.7	E360 Y380 R385 K386 Q391	E360-K388 IonicContact OE1-NZ 2.58Å; E360-K388 PolarHBondContact OE1-NZ 3.5Å; E360-K388 IonicContact OE2-NZ 3.65Å; Y380-K388 HydrophobicContact CD1-CB 4.45Å; Y380-K388 HydrophobicContact CD2-CB 4.25Å; Y380-K388 HydrophobicContact CE1-CB 4.11Å; Y380-K388 HydrophobicContact CE1-CD 3.72Å; Y380-K388 HydrophobicContact CE2-CB 3.86Å; R385-K388 HydrophobicContact CB-CB 4.47Å; R385-K388 PolarHBondContact O-N 2.83Å; K386-K388 VanDerWaalsContact C-N 3.29Å; K386-K388 PolarHBondContact O-N 3.36Å; K388-Q391 PolarHBondContact O-N 3.43Å
389	I	64.6	Low	65	Low	15 Å²	15	78.1 Å²	78.1	8%	0.077	39%	0.392	C	S	.	.	H	α-helix	trans	-71.5	-37.6	175.5	-54	173.9	0	0	0	109.3	L377 Y380 R385 K386 D387 Q391 L392 R411	L377-I389 HydrophobicContact CD1-CB 4.33Å; L377-I389 HydrophobicContact CD1-CD1 4.36Å; L377-I389 HydrophobicContact CD1-CG1 4.13Å; L377-I389 HydrophobicContact CD1-CG2 3.32Å; Y380-I389 HydrophobicContact CD2-CG1 4.07Å; Y380-I389 HydrophobicContact CG-CG1 4.31Å; R385-I389 WeakPolarHBondContact O-CG1 3.48Å; K386-I389 WeakPolarHBondContact O-CB 3.18Å; K386-I389 PolarHBondContact O-N 3.39Å; D387-I389 VanDerWaalsContact C-N 3.3Å; D387-I389 PolarHBondContact O-N 3.38Å; I389-Q391 PolarHBondContact O-N 2.79Å; I389-L392 PolarHBondContact O-N 3.14Å; I389-R411 VanDerWaalsContact C-NH2 3.32Å; I389-R411 PolarHBondContact O-NH2 3.02Å
390	D	60.5	Low	64.2	Low	104 Å²	104	78 Å²	78	56%	0.556	39%	0.393	S	S	*	.	H	α-helix	trans	-61.3	-30.4	176.2	-65.6	-33.8	0	0	0	113	K386 D387 R411	K386-D390 PolarHBondContact O-N 3.02Å; D387-D390 PolarHBondContact O-N 3.01Å; D390-R411 VanDerWaalsContact N-NH1 3.19Å; D390-R411 IonicContact OD1-CZ 3.35Å; D390-R411 IonicContact OD1-NE 2.95Å; D390-R411 IonicContact OD1-NH1 2.9Å; D390-R411 PolarHBondContact OD1-NH1 3.38Å; D390-R411 IonicContact OD1-NH2 3.04Å
391	Q	64.3	Low	63.6	Low	154 Å²	154	81.4 Å²	81.4	72%	0.72	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-16.7	179	-65.3	175.5	8.3	0	0	113.9	K388 I389 Q393	K388-Q391 PolarHBondContact O-N 3.43Å; I389-Q391 PolarHBondContact O-N 2.79Å; Q391-Q393 PolarHBondContact O-N 3.02Å
392	L	61.8	Low	62.9	Low	34 Å²	34	80.1 Å²	80.1	18%	0.178	40%	0.399	C	S	.	.			trans	-81	106	178.8	-75.7	174.3	0	0	0	110.7	L376 Y380 I389 L394	L376-L392 HydrophobicContact CD2-CD1 4Å; L376-L392 HydrophobicContact CD2-CD2 3.81Å; L376-L392 HydrophobicContact CG-CD1 4.22Å; Y380-L392 HydrophobicContact CD2-CD1 3.68Å; Y380-L392 HydrophobicContact CE2-CD1 3.43Å; Y380-L392 VanDerWaalsContact CE2-CD1 3.43Å; Y380-L392 HydrophobicContact CE2-CG 4.06Å; I389-L392 PolarHBondContact O-N 3.14Å; L392-L394 VanDerWaalsContact C-N 3.34Å; L392-L394 HydrophobicContact CB-CG 4.3Å; L392-L394 PolarHBondContact O-N 3.11Å
393	Q	59.7	Low	62.4	Low	200 Å²	200	72.7 Å²	72.7	94%	0.935	37%	0.367	S	S	*	.			trans	-70.8	87.8	167.7	-69.7	-178.6	-13.3	0	0	109.9	Q391	Q391-Q393 PolarHBondContact O-N 3.02Å
394	L	58.2	Low	62	Low	25 Å²	25	75.3 Å²	75.3	13%	0.131	38%	0.378	C	S	.	.			trans	-92.9	149	174.2	-70.1	171.6	0	0	0	111.1	A373 L377 L392 F396 A399	A373-L394 HydrophobicContact CB-CD2 3.26Å; L377-L394 HydrophobicContact CD1-CD1 4.35Å; L377-L394 HydrophobicContact CD2-CD1 3.98Å; L392-L394 VanDerWaalsContact C-N 3.34Å; L392-L394 HydrophobicContact CB-CG 4.3Å; L392-L394 PolarHBondContact O-N 3.11Å; L394-F396 PolarHBondContact O-N 3.43Å; L394-A399 HydrophobicContact CB-CB 4.41Å
395	P	57.6	Low	61.7	Low	78 Å²	78	81.7 Å²	81.7	51%	0.506	39%	0.388	S	S	.	.			trans	-54.4	132.9	166.7	-21.3	32	0	0	0	110.4	D397 Q398 A399	P395-D397 VanDerWaalsContact C-N 3.3Å; P395-D397 PolarHBondContact O-N 3.01Å; P395-D397 VanDerWaalsContact O-N 3.17Å; P395-Q398 PolarHBondContact O-N 3.34Å; P395-A399 PolarHBondContact O-N 2.95Å
396	F	56.5	Low	61.2	Low	105 Å²	105	77.7 Å²	77.7	46%	0.461	38%	0.377	S	S	.	.	H	α-helix	trans	-55.5	-39.5	-165.2	-59.9	-66.7	0	0	0	114.2	L394 Q398 A399 A400 V415 D419 I420	L394-F396 PolarHBondContact O-N 3.43Å; F396-Q398 VanDerWaalsContact C-N 3.29Å; F396-Q398 PolarHBondContact O-N 3.36Å; F396-A399 PolarHBondContact O-N 2.91Å; F396-A399 VanDerWaalsContact O-N 3.16Å; F396-A400 PolarHBondContact O-N 3.38Å; F396-V415 HydrophobicContact CB-CG1 4.46Å; F396-D419 HydrophobicContact CB-CB 4.5Å; F396-D419 HydrophobicContact CD1-CB 3.21Å; F396-D419 WeakPolarHBondContact CD1-OD2 3.23Å; F396-D419 HydrophobicContact CD2-CB 4.34Å; F396-D419 HydrophobicContact CE1-CB 3.29Å; F396-D419 WeakPolarHBondContact CE1-OD2 3.36Å; F396-D419 HydrophobicContact CE2-CB 4.39Å; F396-D419 HydrophobicContact CG-CB 3.78Å; F396-D419 HydrophobicContact CZ-CB 3.9Å; F396-I420 HydrophobicContact CB-CD1 4.19Å; F396-I420 HydrophobicContact CB-CG1 3.69Å
397	D	57.2	Low	61	Low	122 Å²	122	73.9 Å²	73.9	65%	0.652	37%	0.374	S	S	*	.	H	α-helix	trans	-60.1	-38	179.6	-57.9	-24.6	0	0	0	112.7	P395 E401	P395-D397 VanDerWaalsContact C-N 3.3Å; P395-D397 PolarHBondContact O-N 3.01Å; P395-D397 VanDerWaalsContact O-N 3.17Å; D397-E401 PolarHBondContact O-N 3.03Å
398	Q	60.3	Low	60.9	Low	51 Å²	51	71.2 Å²	71.2	24%	0.238	36%	0.355	C	S	.	.	H	α-helix	trans	-74.1	-38.7	178.6	-69.9	173.6	16	0	0	110.7	S370 P395 F396 A400 L402	S370-Q398 VanDerWaalsContact CB-NE2 3.34Å; P395-Q398 PolarHBondContact O-N 3.34Å; F396-Q398 VanDerWaalsContact C-N 3.29Å; F396-Q398 PolarHBondContact O-N 3.36Å; Q398-A400 VanDerWaalsContact C-N 3.34Å; Q398-A400 PolarHBondContact O-N 3.16Å; Q398-L402 HydrophobicContact CB-CD1 4.17Å; Q398-L402 VanDerWaalsContact O-CB 3.28Å; Q398-L402 WeakPolarHBondContact O-CB 3.29Å; Q398-L402 WeakPolarHBondContact O-CD1 3.3Å; Q398-L402 WeakPolarHBondContact O-CG 3.37Å; Q398-L402 PolarHBondContact O-N 3.11Å; Q398-L402 VanDerWaalsContact O-N 3.09Å
399	A	57.7	Low	60.8	Low	13 Å²	13	69.5 Å²	69.5	11%	0.107	35%	0.35	C	S	.	.	H	α-helix	trans	-62.3	-39.8	177.3	0	0	0	0	0	112.1	L394 P395 F396 T403 V415	L394-A399 HydrophobicContact CB-CB 4.41Å; P395-A399 PolarHBondContact O-N 2.95Å; F396-A399 PolarHBondContact O-N 2.91Å; F396-A399 VanDerWaalsContact O-N 3.16Å; A399-T403 WeakPolarHBondContact O-CB 3.49Å; A399-T403 VanDerWaalsContact O-CG2 3.31Å; A399-T403 WeakPolarHBondContact O-CG2 3.46Å; A399-T403 PolarHBondContact O-N 3.44Å; A399-T403 PolarHBondContact O-OG1 2.96Å; A399-V415 HydrophobicContact CB-CG1 4.13Å; A399-V415 HydrophobicContact CB-CG2 4.26Å
400	A	61.4	Low	60.9	Low	10 Å²	10	73.7 Å²	73.7	8%	0.083	37%	0.369	C	S	.	.	H	α-helix	trans	-66.8	-48.8	178.7	0	0	0	0	0	112.9	F396 Q398 L402 T403 K404 C412 V415 L416 I420	F396-A400 PolarHBondContact O-N 3.38Å; Q398-A400 VanDerWaalsContact C-N 3.34Å; Q398-A400 PolarHBondContact O-N 3.16Å; A400-L402 VanDerWaalsContact C-N 3.29Å; A400-L402 PolarHBondContact O-N 3.45Å; A400-T403 WeakPolarHBondContact CA-OG1 3.31Å; A400-T403 PolarHBondContact O-OG1 3.16Å; A400-K404 VanDerWaalsContact O-CB 3.31Å; A400-K404 WeakPolarHBondContact O-CB 2.93Å; A400-K404 PolarHBondContact O-N 2.97Å; A400-C412 PolarHBondContact O-SG 3.28Å; A400-V415 HydrophobicContact CB-CG1 4.06Å; A400-L416 HydrophobicContact CB-CD2 4.03Å; A400-L416 HydrophobicContact CB-CG 4.24Å; A400-I420 HydrophobicContact CB-CD1 3.71Å
401	E	63.7	Low	61.1	Low	80 Å²	80	71.9 Å²	71.9	37%	0.374	36%	0.355	S	S	.	.	H	α-helix	trans	-64.5	-34.4	179.2	178.5	60.1	-164.9	0	0	112	D397 K404 R405	D397-E401 PolarHBondContact O-N 3.03Å; E401-K404 WeakPolarHBondContact O-CB 3.42Å; E401-R405 WeakPolarHBondContact O-CG 3.27Å; E401-R405 PolarHBondContact O-N 2.85Å; E401-R405 VanDerWaalsContact O-N 3.09Å; E401-R405 IonicContact OE1-CZ 3.07Å; E401-R405 IonicContact OE1-NE 3.44Å; E401-R405 PolarHBondContact OE1-NE 3.48Å; E401-R405 IonicContact OE1-NH2 3.12Å; E401-R405 PolarHBondContact OE1-NH2 2.9Å
402	L	56.1	Low	61.2	Low	11 Å²	11	64.6 Å²	64.6	6%	0.058	32%	0.321	C	S	.	.	H	α-helix	trans	-81.1	-36.6	-177.8	-67.5	156.5	0	0	0	112.8	N374 L377 Q398 A400 K404 R405 C406	N374-L402 WeakPolarHBondContact OD1-CD1 3.17Å; L377-L402 HydrophobicContact CD2-CB 3.24Å; L377-L402 HydrophobicContact CD2-CD1 3.18Å; L377-L402 HydrophobicContact CD2-CD2 4.02Å; L377-L402 HydrophobicContact CD2-CG 3.59Å; L377-L402 HydrophobicContact CG-CD1 4.49Å; Q398-L402 HydrophobicContact CB-CD1 4.17Å; Q398-L402 VanDerWaalsContact O-CB 3.28Å; Q398-L402 WeakPolarHBondContact O-CB 3.29Å; Q398-L402 WeakPolarHBondContact O-CD1 3.3Å; Q398-L402 WeakPolarHBondContact O-CG 3.37Å; Q398-L402 PolarHBondContact O-N 3.11Å; Q398-L402 VanDerWaalsContact O-N 3.09Å; A400-L402 VanDerWaalsContact C-N 3.29Å; A400-L402 PolarHBondContact O-N 3.45Å; L402-K404 VanDerWaalsContact C-N 3.26Å; L402-K404 PolarHBondContact O-N 2.63Å; L402-R405 PolarHBondContact O-N 2.91Å; L402-C406 VanDerWaalsContact O-CB 3.32Å; L402-C406 WeakPolarHBondContact O-CB 3.45Å; L402-C406 PolarHBondContact O-N 3.03Å; L402-C406 PolarHBondContact O-SG 2.61Å
403	T	62.7	Low	61.5	Low	11 Å²	11	63 Å²	63	7%	0.067	31%	0.312	C	S	.	.	H	α-helix	trans	-65.5	-33.4	171.4	45.8	0	0	0	0	111.6	A399 A400 G407 Y408 R411 C412	A399-T403 WeakPolarHBondContact O-CB 3.49Å; A399-T403 VanDerWaalsContact O-CG2 3.31Å; A399-T403 WeakPolarHBondContact O-CG2 3.46Å; A399-T403 PolarHBondContact O-N 3.44Å; A399-T403 PolarHBondContact O-OG1 2.96Å; A400-T403 WeakPolarHBondContact CA-OG1 3.31Å; A400-T403 PolarHBondContact O-OG1 3.16Å; T403-G407 PolarHBondContact O-N 2.96Å; T403-Y408 PolarHBondContact O-N 3.25Å; T403-Y408 VanDerWaalsContact O-N 3.15Å; T403-R411 HydrophobicContact CG2-CB 4.1Å; T403-R411 HydrophobicContact CG2-CG 3.96Å; T403-C412 WeakPolarHBondContact OG1-CA 3.18Å; T403-C412 VanDerWaalsContact OG1-CB 3.27Å; T403-C412 WeakPolarHBondContact OG1-CB 3.27Å
404	K	64.7	Low	61.8	Low	102 Å²	102	55.4 Å²	55.4	44%	0.443	28%	0.283	S	S	.	.	H	α-helix	trans	-61.5	-44.3	169	177.7	170.3	-175	-176.2	0	112.6	A400 E401 L402 Y429	A400-K404 VanDerWaalsContact O-CB 3.31Å; A400-K404 WeakPolarHBondContact O-CB 2.93Å; A400-K404 PolarHBondContact O-N 2.97Å; E401-K404 WeakPolarHBondContact O-CB 3.42Å; L402-K404 VanDerWaalsContact C-N 3.26Å; L402-K404 PolarHBondContact O-N 2.63Å; K404-Y429 HydrophobicContact CB-CE2 4.06Å; K404-Y429 HydrophobicContact CD-CD2 4.15Å; K404-Y429 HydrophobicContact CD-CE2 4.24Å; K404-Y429 HydrophobicContact CG-CD2 4.08Å; K404-Y429 HydrophobicContact CG-CE2 3.65Å
405	R	62.6	Low	62.3	Low	179 Å²	179	54.7 Å²	54.7	68%	0.675	28%	0.28	S	S	*	.	H	α-helix	trans	-71.9	-32.5	177	-72.7	178	-171.2	-165.6	1.4	114.1	E401 L402 G407	E401-R405 WeakPolarHBondContact O-CG 3.27Å; E401-R405 PolarHBondContact O-N 2.85Å; E401-R405 VanDerWaalsContact O-N 3.09Å; E401-R405 IonicContact OE1-CZ 3.07Å; E401-R405 IonicContact OE1-NE 3.44Å; E401-R405 PolarHBondContact OE1-NE 3.48Å; E401-R405 IonicContact OE1-NH2 3.12Å; E401-R405 PolarHBondContact OE1-NH2 2.9Å; L402-R405 PolarHBondContact O-N 2.91Å; R405-G407 VanDerWaalsContact C-N 3.35Å
406	C	57.3	Low	62.8	Low	32 Å²	32	51.3 Å²	51.3	22%	0.216	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-0.3	-175.4	-63	0	0	0	0	113.7	S381 L402 Y408	S381-C406 PolarHBondContact OG-SG 3.24Å; L402-C406 VanDerWaalsContact O-CB 3.32Å; L402-C406 WeakPolarHBondContact O-CB 3.45Å; L402-C406 PolarHBondContact O-N 3.03Å; L402-C406 PolarHBondContact O-SG 2.61Å; C406-Y408 HydrophobicContact CB-CD2 3.54Å; C406-Y408 HydrophobicContact CB-CE2 3.67Å
407	G	61.9	Low	63.2	Low	45 Å²	45	46.8 Å²	46.8	46%	0.464	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	31.7	176.7	0	0	0	0	0	114.2	T403 R405 P409	T403-G407 PolarHBondContact O-N 2.96Å; R405-G407 VanDerWaalsContact C-N 3.35Å; G407-P409 WeakPolarHBondContact O-CD 2.95Å
408	Y	65.5	Low	63.7	Low	66 Å²	66	43.9 Å²	43.9	26%	0.259	23%	0.228	S	C	.	.			trans	-107.1	83.8	176.3	-64.8	-64.7	0	0	0	110.6	K386 T403 C406 C412	K386-Y408 HydrophobicContact CD-CE1 4.39Å; T403-Y408 PolarHBondContact O-N 3.25Å; T403-Y408 VanDerWaalsContact O-N 3.15Å; C406-Y408 HydrophobicContact CB-CD2 3.54Å; C406-Y408 HydrophobicContact CB-CE2 3.67Å; Y408-C412 WeakPolarHBondContact O-CB 3.31Å; Y408-C412 PolarHBondContact O-N 2.6Å; Y408-C412 VanDerWaalsContact O-N 3.1Å
409	P	63.2	Low	63.7	Low	22 Å²	22	44.9 Å²	44.9	14%	0.143	23%	0.234	C	C	.	.	H	α-helix	trans	-68.5	-41	-169.4	27.5	-35.6	0	0	0	113.4	G407 R411 C412 L413 Y429 L433	G407-P409 WeakPolarHBondContact O-CD 2.95Å; P409-R411 VanDerWaalsContact C-N 3.35Å; P409-R411 PolarHBondContact O-N 3.43Å; P409-C412 PolarHBondContact O-N 3.3Å; P409-L413 WeakPolarHBondContact O-CB 3.18Å; P409-L413 VanDerWaalsContact O-CG 3.28Å; P409-L413 WeakPolarHBondContact O-CG 3.23Å; P409-L413 PolarHBondContact O-N 3.08Å; P409-Y429 HydrophobicContact CB-CE1 4.14Å; P409-L433 HydrophobicContact CB-CD1 4.06Å; P409-L433 HydrophobicContact CB-CD2 3.69Å
410	E	65.2	Low	64.1	Low	103 Å²	103	46.6 Å²	46.6	48%	0.481	24%	0.241	S	C	.	.	H	α-helix	trans	-61.4	-42.4	-179.6	-65.7	179.3	178.7	0	0	112.1	A414 M446	E410-A414 VanDerWaalsContact O-CB 3.27Å; E410-A414 WeakPolarHBondContact O-CB 3.45Å; E410-A414 PolarHBondContact O-N 3Å; E410-M446 WeakPolarHBondContact O-CE 3.41Å
411	R	64.7	Low	64.4	Low	67 Å²	67	53 Å²	53	25%	0.253	27%	0.268	S	S	.	.	H	α-helix	trans	-73.7	-38.2	178.7	-168	174	174.7	169.3	2.7	112.4	I389 D390 T403 P409 L413 A414 V415	I389-R411 VanDerWaalsContact C-NH2 3.32Å; I389-R411 PolarHBondContact O-NH2 3.02Å; D390-R411 VanDerWaalsContact N-NH1 3.19Å; D390-R411 IonicContact OD1-CZ 3.35Å; D390-R411 IonicContact OD1-NE 2.95Å; D390-R411 IonicContact OD1-NH1 2.9Å; D390-R411 PolarHBondContact OD1-NH1 3.38Å; D390-R411 IonicContact OD1-NH2 3.04Å; T403-R411 HydrophobicContact CG2-CB 4.1Å; T403-R411 HydrophobicContact CG2-CG 3.96Å; P409-R411 VanDerWaalsContact C-N 3.35Å; P409-R411 PolarHBondContact O-N 3.43Å; R411-L413 VanDerWaalsContact C-N 3.3Å; R411-L413 PolarHBondContact O-N 3.19Å; R411-A414 PolarHBondContact O-N 3.18Å; R411-V415 HydrophobicContact CG-CG2 4.49Å; R411-V415 VanDerWaalsContact O-CG2 3.3Å; R411-V415 WeakPolarHBondContact O-CG2 3.2Å; R411-V415 PolarHBondContact O-N 2.89Å
412	C	68	Low	64.8	Low	1 Å²	1	51.4 Å²	51.4	1%	0.007	26%	0.261	C	S	.	.	H	α-helix	trans	-57.8	-47.6	175	-171.5	0	0	0	0	110.8	A400 T403 Y408 P409 V415 L416 Y429	A400-C412 PolarHBondContact O-SG 3.28Å; T403-C412 WeakPolarHBondContact OG1-CA 3.18Å; T403-C412 VanDerWaalsContact OG1-CB 3.27Å; T403-C412 WeakPolarHBondContact OG1-CB 3.27Å; Y408-C412 WeakPolarHBondContact O-CB 3.31Å; Y408-C412 PolarHBondContact O-N 2.6Å; Y408-C412 VanDerWaalsContact O-N 3.1Å; P409-C412 PolarHBondContact O-N 3.3Å; C412-V415 PolarHBondContact O-N 2.87Å; C412-L416 WeakPolarHBondContact O-CB 3.26Å; C412-L416 VanDerWaalsContact O-CG 3.25Å; C412-L416 WeakPolarHBondContact O-CG 3.46Å; C412-L416 PolarHBondContact O-N 3.28Å; C412-Y429 HydrophobicContact CB-CD1 4.23Å; C412-Y429 HydrophobicContact CB-CE1 3.61Å
413	L	66.7	Low	65.4	Low	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-69.8	-35.1	178	-67.3	167.8	0	0	0	112.2	P409 R411 L416 M417 A426 Y429 I430 C442 M446	P409-L413 WeakPolarHBondContact O-CB 3.18Å; P409-L413 VanDerWaalsContact O-CG 3.28Å; P409-L413 WeakPolarHBondContact O-CG 3.23Å; P409-L413 PolarHBondContact O-N 3.08Å; R411-L413 VanDerWaalsContact C-N 3.3Å; R411-L413 PolarHBondContact O-N 3.19Å; L413-L416 PolarHBondContact O-N 2.9Å; L413-M417 WeakPolarHBondContact O-CB 3.28Å; L413-M417 WeakPolarHBondContact O-CG 3.39Å; L413-M417 PolarHBondContact O-N 3.45Å; L413-A426 HydrophobicContact CD2-CB 3.79Å; L413-A426 VanDerWaalsContact CD2-O 3.25Å; L413-A426 WeakPolarHBondContact CD2-O 3.24Å; L413-Y429 HydrophobicContact CD2-CD1 3.89Å; L413-Y429 HydrophobicContact CG-CD1 3.98Å; L413-Y429 HydrophobicContact CG-CE1 4.38Å; L413-I430 HydrophobicContact CD1-CD1 4.18Å; L413-I430 HydrophobicContact CD1-CG1 3.64Å; L413-I430 HydrophobicContact CD2-CD1 4.03Å; L413-I430 HydrophobicContact CD2-CG1 3.58Å; L413-I430 HydrophobicContact CG-CG1 4.26Å; L413-C442 HydrophobicContact CD1-CB 3.55Å; L413-M446 HydrophobicContact CB-CE 3.22Å; L413-M446 HydrophobicContact CB-SD 3.24Å; L413-M446 WeakPolarHBondContact CB-SD 3.37Å; L413-M446 HydrophobicContact CD1-CE 4.31Å; L413-M446 HydrophobicContact CD1-SD 3.48Å; L413-M446 WeakPolarHBondContact CD1-SD 3.12Å; L413-M446 HydrophobicContact CG-CE 4.38Å; L413-M446 HydrophobicContact CG-SD 3.95Å
414	A	67.3	Low	65.7	Low	40 Å²	40	57.7 Å²	57.7	33%	0.331	29%	0.287	S	S	.	.	H	α-helix	trans	-61.9	-43.6	173.3	0	0	0	0	0	111.6	E410 R411 S418 M446	E410-A414 VanDerWaalsContact O-CB 3.27Å; E410-A414 WeakPolarHBondContact O-CB 3.45Å; E410-A414 PolarHBondContact O-N 3Å; R411-A414 PolarHBondContact O-N 3.18Å; A414-S418 WeakPolarHBondContact O-CA 3.34Å; A414-S418 WeakPolarHBondContact O-CB 3.44Å; A414-S418 PolarHBondContact O-N 2.84Å; A414-M446 HydrophobicContact CB-CE 4.39Å
415	V	67.9	Low	66	Low	11 Å²	11	57.5 Å²	57.5	7%	0.067	29%	0.288	C	S	.	.	I	π-helix	trans	-65.8	-46.6	176.2	173.4	0	0	0	0	110.9	F396 A399 A400 R411 C412 M417 D419 I420	F396-V415 HydrophobicContact CB-CG1 4.46Å; A399-V415 HydrophobicContact CB-CG1 4.13Å; A399-V415 HydrophobicContact CB-CG2 4.26Å; A400-V415 HydrophobicContact CB-CG1 4.06Å; R411-V415 HydrophobicContact CG-CG2 4.49Å; R411-V415 VanDerWaalsContact O-CG2 3.3Å; R411-V415 WeakPolarHBondContact O-CG2 3.2Å; R411-V415 PolarHBondContact O-N 2.89Å; C412-V415 PolarHBondContact O-N 2.87Å; V415-M417 VanDerWaalsContact C-N 3.32Å; V415-M417 PolarHBondContact O-N 3.18Å; V415-D419 PolarHBondContact O-N 2.98Å; V415-I420 HydrophobicContact CG1-CD1 3.88Å; V415-I420 HydrophobicContact CG1-CG1 4.24Å; V415-I420 PolarHBondContact O-N 3.11Å
416	L	67.8	Low	66.3	Low	7 Å²	7	49 Å²	49	4%	0.037	26%	0.256	C	S	.	.	I	π-helix	trans	-62.4	-37.8	179.6	-73	166.1	0	0	0	112.3	A400 C412 L413 I420 K421 D422 Q425 A426	A400-L416 HydrophobicContact CB-CD2 4.03Å; A400-L416 HydrophobicContact CB-CG 4.24Å; C412-L416 WeakPolarHBondContact O-CB 3.26Å; C412-L416 VanDerWaalsContact O-CG 3.25Å; C412-L416 WeakPolarHBondContact O-CG 3.46Å; C412-L416 PolarHBondContact O-N 3.28Å; L413-L416 PolarHBondContact O-N 2.9Å; L416-I420 HydrophobicContact CD2-CD1 4.06Å; L416-K421 CarbonylContact O-C 3.56Å; L416-K421 WeakPolarHBondContact O-CA 3.41Å; L416-K421 PolarHBondContact O-N 3.29Å; L416-D422 PolarHBondContact O-N 3.17Å; L416-Q425 HydrophobicContact CD2-CB 4.03Å; L416-A426 HydrophobicContact CB-CB 3.92Å; L416-A426 HydrophobicContact CD1-CB 4.37Å
417	M	64.5	Low	66.7	Low	9 Å²	9	48.2 Å²	48.2	4%	0.044	25%	0.249	C	C	.	.	I	π-helix	trans	-92.9	-39.7	-174.8	-66.2	175.6	53.9	0	0	114.8	L413 V415 F423 A426 M446 K449 L450	L413-M417 WeakPolarHBondContact O-CB 3.28Å; L413-M417 WeakPolarHBondContact O-CG 3.39Å; L413-M417 PolarHBondContact O-N 3.45Å; V415-M417 VanDerWaalsContact C-N 3.32Å; V415-M417 PolarHBondContact O-N 3.18Å; M417-F423 HydrophobicContact CB-CD1 4.47Å; M417-F423 HydrophobicContact CB-CE1 4.21Å; M417-F423 HydrophobicContact CG-CD1 4.18Å; M417-F423 HydrophobicContact CG-CE1 4.4Å; M417-A426 HydrophobicContact CG-CB 3.79Å; M417-A426 HydrophobicContact SD-CB 4.48Å; M417-M446 HydrophobicContact CE-CB 3.84Å; M417-M446 HydrophobicContact CE-CG 4.16Å; M417-M446 HydrophobicContact SD-CB 3.66Å; M417-M446 HydrophobicContact SD-CG 3.68Å; M417-M446 HydrophobicContact SD-SD 4.3Å; M417-K449 HydrophobicContact CE-CB 3.4Å; M417-K449 HydrophobicContact CE-CD 4.41Å; M417-L450 HydrophobicContact CE-CB 4.44Å; M417-L450 HydrophobicContact CE-CD1 4.39Å; M417-L450 HydrophobicContact CE-CD2 3.68Å; M417-L450 HydrophobicContact CE-CG 3.48Å; M417-L450 VanDerWaalsContact CE-CG 3.48Å; M417-L450 HydrophobicContact CG-CD2 4.39Å; M417-L450 HydrophobicContact SD-CD1 4.38Å; M417-L450 HydrophobicContact SD-CD2 3.92Å; M417-L450 HydrophobicContact SD-CG 3.98Å
418	S	68	Low	67.1	Low	62 Å²	62	50.8 Å²	50.8	43%	0.434	25%	0.249	S	C	.	.	I	π-helix	trans	-76.4	-50.9	-179.5	-179.8	0	0	0	0	110.6	A414	A414-S418 WeakPolarHBondContact O-CA 3.34Å; A414-S418 WeakPolarHBondContact O-CB 3.44Å; A414-S418 PolarHBondContact O-N 2.84Å
419	D	61	Low	67.2	Low	71 Å²	71	48.6 Å²	48.6	38%	0.38	24%	0.241	S	C	.	.	I	π-helix	trans	-104.3	-45.2	-160.3	-55.6	-24	0	0	0	111.8	F396 V415	F396-D419 HydrophobicContact CB-CB 4.5Å; F396-D419 HydrophobicContact CD1-CB 3.21Å; F396-D419 WeakPolarHBondContact CD1-OD2 3.23Å; F396-D419 HydrophobicContact CD2-CB 4.34Å; F396-D419 HydrophobicContact CE1-CB 3.29Å; F396-D419 WeakPolarHBondContact CE1-OD2 3.36Å; F396-D419 HydrophobicContact CE2-CB 4.39Å; F396-D419 HydrophobicContact CG-CB 3.78Å; F396-D419 HydrophobicContact CZ-CB 3.9Å; V415-D419 PolarHBondContact O-N 2.98Å
420	I	65.1	Low	67.4	Low	49 Å²	49	47.6 Å²	47.6	25%	0.251	23%	0.234	S	C	.	.	S	Bend	trans	-81	-28.8	177.7	-56.4	175.7	0	0	0	110.9	F396 A400 V415 L416 D422	F396-I420 HydrophobicContact CB-CD1 4.19Å; F396-I420 HydrophobicContact CB-CG1 3.69Å; A400-I420 HydrophobicContact CB-CD1 3.71Å; V415-I420 HydrophobicContact CG1-CD1 3.88Å; V415-I420 HydrophobicContact CG1-CG1 4.24Å; V415-I420 PolarHBondContact O-N 3.11Å; L416-I420 HydrophobicContact CD2-CD1 4.06Å; I420-D422 HydrophobicContact CG2-CB 3.7Å; I420-D422 PolarHBondContact O-N 3.34Å
421	K	68.5	Low	67.4	Low	146 Å²	146	44 Å²	44	64%	0.635	23%	0.225	S	C	*	.			trans	54.6	25.6	-171.8	-54.7	-177.3	179.7	-178.7	0	113.3	L416 F423	L416-K421 CarbonylContact O-C 3.56Å; L416-K421 WeakPolarHBondContact O-CA 3.41Å; L416-K421 PolarHBondContact O-N 3.29Å; K421-F423 HydrophobicContact CB-CE2 4.11Å; K421-F423 HydrophobicContact CB-CZ 4.32Å; K421-F423 VanDerWaalsContact O-CD2 3.27Å; K421-F423 WeakPolarHBondContact O-CD2 3.36Å; K421-F423 WeakPolarHBondContact O-CE2 3.35Å; K421-F423 PolarHBondContact O-N 3.45Å
422	D	71.7	Confident	67.7	Low	46 Å²	46	45 Å²	45	25%	0.246	24%	0.239	C	C	.	.			trans	-90	80	173.7	-170.2	-15.7	0	0	0	109.2	L416 I420 K424 Q425 A426	L416-D422 PolarHBondContact O-N 3.17Å; I420-D422 HydrophobicContact CG2-CB 3.7Å; I420-D422 PolarHBondContact O-N 3.34Å; D422-K424 PolarHBondContact O-N 2.6Å; D422-K424 PolarHBondContact OD1-N 3.01Å; D422-Q425 HydrophobicContact CB-CB 4.36Å; D422-Q425 PolarHBondContact O-N 3.21Å; D422-Q425 PolarHBondContact OD1-N 3.04Å; D422-Q425 VanDerWaalsContact OD2-CD 3.32Å; D422-Q425 VanDerWaalsContact OD2-CG 3.23Å; D422-Q425 WeakPolarHBondContact OD2-CG 3.4Å; D422-Q425 PolarHBondContact OD2-NE2 3.21Å; D422-A426 PolarHBondContact O-N 3Å; D422-A426 VanDerWaalsContact O-N 3.1Å
423	F	68.7	Low	67.7	Low	33 Å²	33	45.8 Å²	45.8	15%	0.145	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-29.4	179.3	-57.2	-70.9	0	0	0	112	M417 K421 A426 I427 L450 T453 A454 L457	M417-F423 HydrophobicContact CB-CD1 4.47Å; M417-F423 HydrophobicContact CB-CE1 4.21Å; M417-F423 HydrophobicContact CG-CD1 4.18Å; M417-F423 HydrophobicContact CG-CE1 4.4Å; K421-F423 HydrophobicContact CB-CE2 4.11Å; K421-F423 HydrophobicContact CB-CZ 4.32Å; K421-F423 VanDerWaalsContact O-CD2 3.27Å; K421-F423 WeakPolarHBondContact O-CD2 3.36Å; K421-F423 WeakPolarHBondContact O-CE2 3.35Å; K421-F423 PolarHBondContact O-N 3.45Å; F423-A426 PolarHBondContact O-N 3.13Å; F423-I427 WeakPolarHBondContact O-CB 3.05Å; F423-I427 WeakPolarHBondContact O-CD1 3.29Å; F423-I427 WeakPolarHBondContact O-CG1 3.15Å; F423-I427 PolarHBondContact O-N 3.25Å; F423-L450 HydrophobicContact CB-CD2 4.46Å; F423-L450 HydrophobicContact CD1-CD2 3.86Å; F423-T453 VanDerWaalsContact CE1-OG1 3.28Å; F423-T453 WeakPolarHBondContact CE1-OG1 3.23Å; F423-T453 HydrophobicContact CZ-CG2 4.27Å; F423-T453 VanDerWaalsContact CZ-OG1 3.25Å; F423-T453 WeakPolarHBondContact CZ-OG1 3.42Å; F423-A454 HydrophobicContact CB-CB 3.8Å; F423-A454 HydrophobicContact CD1-CB 4.25Å; F423-A454 HydrophobicContact CD2-CB 4.02Å; F423-A454 HydrophobicContact CG-CB 3.75Å; F423-L457 HydrophobicContact CB-CD1 4.09Å
424	K	69	Low	67.4	Low	120 Å²	120	50.6 Å²	50.6	52%	0.522	28%	0.283	S	S	.	.	H	α-helix	trans	-67.9	-44.5	179.5	-172.9	175.6	-175.9	170.9	0	111.3	D422 I427 Q428	D422-K424 PolarHBondContact O-N 2.6Å; D422-K424 PolarHBondContact OD1-N 3.01Å; K424-I427 PolarHBondContact O-N 3.05Å; K424-Q428 WeakPolarHBondContact O-CG 3.22Å; K424-Q428 PolarHBondContact O-N 2.93Å
425	Q	70.7	Confident	67.2	Low	99 Å²	99	51.4 Å²	51.4	46%	0.463	28%	0.283	S	S	.	.	H	α-helix	trans	-68.7	-37.9	174.3	-79.5	-166.6	55	0	0	112.8	L416 D422 I427 Q428 Y429	L416-Q425 HydrophobicContact CD2-CB 4.03Å; D422-Q425 HydrophobicContact CB-CB 4.36Å; D422-Q425 PolarHBondContact O-N 3.21Å; D422-Q425 PolarHBondContact OD1-N 3.04Å; D422-Q425 VanDerWaalsContact OD2-CD 3.32Å; D422-Q425 VanDerWaalsContact OD2-CG 3.23Å; D422-Q425 WeakPolarHBondContact OD2-CG 3.4Å; D422-Q425 PolarHBondContact OD2-NE2 3.21Å; Q425-I427 VanDerWaalsContact C-N 3.31Å; Q425-I427 PolarHBondContact O-N 3.39Å; Q425-Q428 PolarHBondContact O-N 3.35Å; Q425-Y429 VanDerWaalsContact O-CB 3.29Å; Q425-Y429 WeakPolarHBondContact O-CB 3.35Å; Q425-Y429 PolarHBondContact O-N 3.17Å
426	A	69	Low	66.9	Low	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-56.2	-49.8	173.9	0	0	0	0	0	110.8	L413 L416 M417 D422 F423 Y429 I430	L413-A426 HydrophobicContact CD2-CB 3.79Å; L413-A426 VanDerWaalsContact CD2-O 3.25Å; L413-A426 WeakPolarHBondContact CD2-O 3.24Å; L416-A426 HydrophobicContact CB-CB 3.92Å; L416-A426 HydrophobicContact CD1-CB 4.37Å; M417-A426 HydrophobicContact CG-CB 3.79Å; M417-A426 HydrophobicContact SD-CB 4.48Å; D422-A426 PolarHBondContact O-N 3Å; D422-A426 VanDerWaalsContact O-N 3.1Å; F423-A426 PolarHBondContact O-N 3.13Å; A426-Y429 WeakPolarHBondContact O-CB 3.42Å; A426-Y429 PolarHBondContact O-N 3.26Å; A426-I430 WeakPolarHBondContact O-CG1 3.05Å; A426-I430 PolarHBondContact O-N 2.83Å
427	I	66.2	Low	66.6	Low	15 Å²	15	56 Å²	56	8%	0.077	31%	0.31	C	S	.	.	H	α-helix	trans	-59.4	-50.2	177.1	-81.2	172.5	0	0	0	112	F423 K424 Q425 Y429 I430 G431 L450 L457 F461	F423-I427 WeakPolarHBondContact O-CB 3.05Å; F423-I427 WeakPolarHBondContact O-CD1 3.29Å; F423-I427 WeakPolarHBondContact O-CG1 3.15Å; F423-I427 PolarHBondContact O-N 3.25Å; K424-I427 PolarHBondContact O-N 3.05Å; Q425-I427 VanDerWaalsContact C-N 3.31Å; Q425-I427 PolarHBondContact O-N 3.39Å; I427-Y429 PolarHBondContact O-N 3.37Å; I427-I430 PolarHBondContact O-N 2.8Å; I427-G431 PolarHBondContact O-N 3.1Å; I427-G431 VanDerWaalsContact O-N 3.12Å; I427-L450 HydrophobicContact CG1-CD2 4.48Å; I427-L457 HydrophobicContact CD1-CB 3.58Å; I427-F461 HydrophobicContact CB-CD2 4.33Å; I427-F461 HydrophobicContact CB-CG 4.39Å; I427-F461 HydrophobicContact CD1-CB 4.45Å; I427-F461 HydrophobicContact CG1-CB 4.39Å; I427-F461 HydrophobicContact CG1-CG 4.47Å; I427-F461 HydrophobicContact CG2-CB 3.47Å; I427-F461 VanDerWaalsContact CG2-CB 3.47Å; I427-F461 HydrophobicContact CG2-CD1 4.42Å; I427-F461 HydrophobicContact CG2-CD2 3.24Å; I427-F461 HydrophobicContact CG2-CE2 4.01Å; I427-F461 HydrophobicContact CG2-CG 3.46Å; I427-F461 VanDerWaalsContact CG2-CG 3.46Å; I427-F461 WeakPolarHBondContact O-CE2 3.15Å; I427-F461 WeakPolarHBondContact O-CZ 3.11Å
428	Q	69.7	Low	66.5	Low	100 Å²	100	62.1 Å²	62.1	47%	0.467	33%	0.333	S	S	.	.	H	α-helix	trans	-59.4	-37.6	176.5	-74.4	178.9	1.2	0	0	112.1	K424 Q425 G431 T432	K424-Q428 WeakPolarHBondContact O-CG 3.22Å; K424-Q428 PolarHBondContact O-N 2.93Å; Q425-Q428 PolarHBondContact O-N 3.35Å; Q428-G431 PolarHBondContact O-N 2.9Å; Q428-T432 WeakPolarHBondContact O-CG2 3.47Å; Q428-T432 PolarHBondContact O-N 2.8Å
429	Y	68.7	Low	66.3	Low	20 Å²	20	61 Å²	61	8%	0.078	32%	0.321	C	S	.	.	H	α-helix	trans	-68.9	-41.7	178.5	-179.7	-112.3	0	0	0	112.4	K404 P409 C412 L413 Q425 A426 I427 G431 T432 L433	K404-Y429 HydrophobicContact CB-CE2 4.06Å; K404-Y429 HydrophobicContact CD-CD2 4.15Å; K404-Y429 HydrophobicContact CD-CE2 4.24Å; K404-Y429 HydrophobicContact CG-CD2 4.08Å; K404-Y429 HydrophobicContact CG-CE2 3.65Å; P409-Y429 HydrophobicContact CB-CE1 4.14Å; C412-Y429 HydrophobicContact CB-CD1 4.23Å; C412-Y429 HydrophobicContact CB-CE1 3.61Å; L413-Y429 HydrophobicContact CD2-CD1 3.89Å; L413-Y429 HydrophobicContact CG-CD1 3.98Å; L413-Y429 HydrophobicContact CG-CE1 4.38Å; Q425-Y429 VanDerWaalsContact O-CB 3.29Å; Q425-Y429 WeakPolarHBondContact O-CB 3.35Å; Q425-Y429 PolarHBondContact O-N 3.17Å; A426-Y429 WeakPolarHBondContact O-CB 3.42Å; A426-Y429 PolarHBondContact O-N 3.26Å; I427-Y429 PolarHBondContact O-N 3.37Å; Y429-G431 PolarHBondContact O-N 3.12Å; Y429-T432 WeakPolarHBondContact CA-OG1 3.33Å; Y429-T432 WeakPolarHBondContact CD2-OG1 3.25Å; Y429-T432 PolarHBondContact O-N 2.92Å; Y429-T432 PolarHBondContact O-OG1 2.96Å; Y429-L433 HydrophobicContact CE1-CD2 4.15Å; Y429-L433 PolarHBondContact O-N 3.05Å
430	I	68.3	Low	66.2	Low	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-54.8	-43.4	171.4	-62.3	168.7	0	0	0	109.6	L413 A426 I427 T432 L433 Q439 L443 L450 F461	L413-I430 HydrophobicContact CD1-CD1 4.18Å; L413-I430 HydrophobicContact CD1-CG1 3.64Å; L413-I430 HydrophobicContact CD2-CD1 4.03Å; L413-I430 HydrophobicContact CD2-CG1 3.58Å; L413-I430 HydrophobicContact CG-CG1 4.26Å; A426-I430 WeakPolarHBondContact O-CG1 3.05Å; A426-I430 PolarHBondContact O-N 2.83Å; I427-I430 PolarHBondContact O-N 2.8Å; I430-T432 PolarHBondContact O-N 2.89Å; I430-L433 HydrophobicContact CG2-CD1 4.46Å; I430-L433 WeakPolarHBondContact O-CB 3.5Å; I430-L433 PolarHBondContact O-N 2.81Å; I430-L433 VanDerWaalsContact O-N 3.08Å; I430-Q439 HydrophobicContact CG2-CB 4.24Å; I430-Q439 HydrophobicContact CG2-CG 4.26Å; I430-L443 HydrophobicContact CD1-CD2 4.28Å; I430-L443 HydrophobicContact CG2-CG 4.35Å; I430-L450 HydrophobicContact CD1-CD1 4.37Å; I430-F461 HydrophobicContact CB-CE1 4.01Å; I430-F461 HydrophobicContact CB-CZ 3.63Å; I430-F461 HydrophobicContact CG2-CE1 3.69Å; I430-F461 HydrophobicContact CG2-CZ 3.57Å
431	G	64.7	Low	66.1	Low	28 Å²	28	61.2 Å²	61.2	29%	0.289	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.4	177.4	0	0	0	0	0	115.1	I427 Q428 Y429	I427-G431 PolarHBondContact O-N 3.1Å; I427-G431 VanDerWaalsContact O-N 3.12Å; Q428-G431 PolarHBondContact O-N 2.9Å; Y429-G431 PolarHBondContact O-N 3.12Å
432	T	70	Confident	65.9	Low	88 Å²	88	54.3 Å²	54.3	54%	0.54	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-6.1	174.3	59.8	0	0	0	0	113.7	Q428 Y429 I430 A434	Q428-T432 WeakPolarHBondContact O-CG2 3.47Å; Q428-T432 PolarHBondContact O-N 2.8Å; Y429-T432 WeakPolarHBondContact CA-OG1 3.33Å; Y429-T432 WeakPolarHBondContact CD2-OG1 3.25Å; Y429-T432 PolarHBondContact O-N 2.92Å; Y429-T432 PolarHBondContact O-OG1 2.96Å; I430-T432 PolarHBondContact O-N 2.89Å; T432-A434 PolarHBondContact O-N 3.02Å
433	L	68.3	Low	65.5	Low	18 Å²	18	53 Å²	53	9%	0.094	29%	0.285	C	S	.	.			trans	-70.6	128.2	178.4	-63.1	172.9	0	0	0	110.2	P409 Y429 I430 T435 Q439	P409-L433 HydrophobicContact CB-CD1 4.06Å; P409-L433 HydrophobicContact CB-CD2 3.69Å; Y429-L433 HydrophobicContact CE1-CD2 4.15Å; Y429-L433 PolarHBondContact O-N 3.05Å; I430-L433 HydrophobicContact CG2-CD1 4.46Å; I430-L433 WeakPolarHBondContact O-CB 3.5Å; I430-L433 PolarHBondContact O-N 2.81Å; I430-L433 VanDerWaalsContact O-N 3.08Å; L433-T435 VanDerWaalsContact C-N 3.32Å; L433-T435 PolarHBondContact O-N 3.28Å; L433-Q439 HydrophobicContact CB-CG 3.92Å; L433-Q439 PolarHBondContact O-NE2 3.38Å
434	A	61.2	Low	65.2	Low	101 Å²	101	54.5 Å²	54.5	84%	0.835	30%	0.3	S	S	*	.	S	Bend	trans	-68.3	-20.4	-168.2	0	0	0	0	0	115.8	T432	T432-A434 PolarHBondContact O-N 3.02Å
435	T	63.2	Low	64.9	Low	57 Å²	57	51.9 Å²	51.9	35%	0.35	30%	0.297	S	S	.	.			trans	-125.8	132.2	-172.5	53.3	0	0	0	0	110.5	L433 D437 R438 Q439	L433-T435 VanDerWaalsContact C-N 3.32Å; L433-T435 PolarHBondContact O-N 3.28Å; T435-D437 PolarHBondContact O-N 3.33Å; T435-R438 PolarHBondContact O-N 2.79Å; T435-R438 VanDerWaalsContact OG1-CB 3.32Å; T435-R438 WeakPolarHBondContact OG1-CB 3.46Å; T435-R438 VanDerWaalsContact OG1-CD 3.3Å; T435-R438 WeakPolarHBondContact OG1-CD 3.36Å; T435-R438 WeakPolarHBondContact OG1-CG 3.34Å; T435-Q439 PolarHBondContact O-N 2.83Å; T435-Q439 VanDerWaalsContact O-N 3.16Å
436	A	59.8	Low	64.5	Low	21 Å²	21	47.8 Å²	47.8	17%	0.174	28%	0.277	C	S	.	.	H	α-helix	trans	-56.4	-32.7	178.3	0	0	0	0	0	112.8	Q439 S440 N470	A436-Q439 WeakPolarHBondContact O-CB 3.36Å; A436-Q439 PolarHBondContact O-N 3.29Å; A436-S440 PolarHBondContact O-N 3.26Å; A436-S440 PolarHBondContact O-OG 2.84Å; A436-N470 VanDerWaalsContact CB-ND2 3.34Å; A436-N470 WeakPolarHBondContact CB-ND2 3.34Å
437	D	61.8	Low	64.2	Low	92 Å²	92	47.8 Å²	47.8	49%	0.492	28%	0.278	S	S	.	.	H	α-helix	trans	-67.1	-37.9	177.5	-54.7	-34.9	0	0	0	112.4	T435 Q439 S440 M441	T435-D437 PolarHBondContact O-N 3.33Å; D437-Q439 VanDerWaalsContact C-N 3.34Å; D437-S440 WeakPolarHBondContact CA-OG 3.38Å; D437-S440 PolarHBondContact O-N 3.39Å; D437-S440 PolarHBondContact O-OG 3.39Å; D437-M441 WeakPolarHBondContact O-CB 3.18Å; D437-M441 VanDerWaalsContact O-CG 3.25Å; D437-M441 WeakPolarHBondContact O-CG 3.48Å; D437-M441 PolarHBondContact O-N 2.9Å
438	R	62.9	Low	64.1	Low	138 Å²	138	53 Å²	53	52%	0.521	30%	0.3	S	S	.	.	H	α-helix	trans	-70	-35.4	174.5	-72.4	-179.2	-176.3	177.1	1.9	111.6	T435 C442	T435-R438 PolarHBondContact O-N 2.79Å; T435-R438 VanDerWaalsContact OG1-CB 3.32Å; T435-R438 WeakPolarHBondContact OG1-CB 3.46Å; T435-R438 VanDerWaalsContact OG1-CD 3.3Å; T435-R438 WeakPolarHBondContact OG1-CD 3.36Å; T435-R438 WeakPolarHBondContact OG1-CG 3.34Å; R438-C442 WeakPolarHBondContact O-CB 3.32Å; R438-C442 PolarHBondContact O-N 3.46Å; R438-C442 PolarHBondContact O-SG 2.95Å
439	Q	64	Low	63.9	Low	39 Å²	39	53.8 Å²	53.8	18%	0.182	30%	0.302	C	S	.	.	H	α-helix	trans	-64.2	-46.1	174.1	-65.1	177.5	-5.8	0	0	110.5	I430 L433 T435 A436 D437 C442 L443	I430-Q439 HydrophobicContact CG2-CB 4.24Å; I430-Q439 HydrophobicContact CG2-CG 4.26Å; L433-Q439 HydrophobicContact CB-CG 3.92Å; L433-Q439 PolarHBondContact O-NE2 3.38Å; T435-Q439 PolarHBondContact O-N 2.83Å; T435-Q439 VanDerWaalsContact O-N 3.16Å; A436-Q439 WeakPolarHBondContact O-CB 3.36Å; A436-Q439 PolarHBondContact O-N 3.29Å; D437-Q439 VanDerWaalsContact C-N 3.34Å; Q439-C442 PolarHBondContact O-N 3.21Å; Q439-L443 VanDerWaalsContact O-CB 3.31Å; Q439-L443 WeakPolarHBondContact O-CB 3.01Å; Q439-L443 WeakPolarHBondContact O-CD1 3.43Å; Q439-L443 VanDerWaalsContact O-CG 3.24Å; Q439-L443 WeakPolarHBondContact O-CG 3.42Å; Q439-L443 PolarHBondContact O-N 2.82Å
440	S	59.3	Low	63.6	Low	20 Å²	20	52.9 Å²	52.9	14%	0.14	30%	0.298	C	S	.	.	H	α-helix	trans	-67.2	-41.4	179.5	71.6	0	0	0	0	112.2	A436 D437 L443 S444	A436-S440 PolarHBondContact O-N 3.26Å; A436-S440 PolarHBondContact O-OG 2.84Å; D437-S440 WeakPolarHBondContact CA-OG 3.38Å; D437-S440 PolarHBondContact O-N 3.39Å; D437-S440 PolarHBondContact O-OG 3.39Å; S440-L443 PolarHBondContact O-N 2.81Å; S440-S444 WeakPolarHBondContact O-CB 3.29Å; S440-S444 PolarHBondContact O-N 3.08Å; S440-S444 PolarHBondContact O-OG 3.37Å
441	M	63	Low	63.3	Low	105 Å²	105	53.4 Å²	53.4	52%	0.517	30%	0.302	S	S	.	.	H	α-helix	trans	-59.8	-48.2	173.7	-76.3	-177	69.5	0	0	111.6	D437 S444 S445	D437-M441 WeakPolarHBondContact O-CB 3.18Å; D437-M441 VanDerWaalsContact O-CG 3.25Å; D437-M441 WeakPolarHBondContact O-CG 3.48Å; D437-M441 PolarHBondContact O-N 2.9Å; M441-S444 PolarHBondContact O-N 2.76Å; M441-S444 PolarHBondContact O-OG 2.98Å; M441-S445 PolarHBondContact O-N 3.03Å; M441-S445 VanDerWaalsContact O-N 3.12Å
442	C	63.7	Low	63.2	Low	1 Å²	1	55.7 Å²	55.7	1%	0.007	32%	0.318	C	S	.	.	H	α-helix	trans	-63.2	-43.5	177.4	-67.8	0	0	0	0	111.3	L413 R438 Q439 S444 S445 M446	L413-C442 HydrophobicContact CD1-CB 3.55Å; R438-C442 WeakPolarHBondContact O-CB 3.32Å; R438-C442 PolarHBondContact O-N 3.46Å; R438-C442 PolarHBondContact O-SG 2.95Å; Q439-C442 PolarHBondContact O-N 3.21Å; C442-S444 VanDerWaalsContact C-N 3.32Å; C442-S444 PolarHBondContact O-N 3.13Å; C442-S445 PolarHBondContact O-N 3.17Å; C442-S445 PolarHBondContact O-OG 3.26Å; C442-M446 HydrophobicContact CB-SD 4.35Å; C442-M446 VanDerWaalsContact O-CB 3.24Å; C442-M446 WeakPolarHBondContact O-CB 3.33Å; C442-M446 PolarHBondContact O-N 2.89Å
443	L	64	Low	62.8	Low	17 Å²	17	55.8 Å²	55.8	9%	0.089	32%	0.318	C	S	.	.	H	α-helix	trans	-65.3	-33.7	176.2	-75.4	163.9	0	0	0	112.3	I430 Q439 S440 G447 F461 F473	I430-L443 HydrophobicContact CD1-CD2 4.28Å; I430-L443 HydrophobicContact CG2-CG 4.35Å; Q439-L443 VanDerWaalsContact O-CB 3.31Å; Q439-L443 WeakPolarHBondContact O-CB 3.01Å; Q439-L443 WeakPolarHBondContact O-CD1 3.43Å; Q439-L443 VanDerWaalsContact O-CG 3.24Å; Q439-L443 WeakPolarHBondContact O-CG 3.42Å; Q439-L443 PolarHBondContact O-N 2.82Å; S440-L443 PolarHBondContact O-N 2.81Å; L443-G447 WeakPolarHBondContact O-CA 3.46Å; L443-G447 PolarHBondContact O-N 2.82Å; L443-F461 HydrophobicContact CD2-CE1 4.37Å; L443-F473 HydrophobicContact CD1-CE2 3.52Å; L443-F473 HydrophobicContact CD1-CZ 4Å
444	S	62.6	Low	62.4	Low	66 Å²	66	55.4 Å²	55.4	46%	0.462	32%	0.318	S	S	.	.	H	α-helix	trans	-69.3	-38.6	177.4	74.4	0	0	0	0	112.4	S440 M441 C442	S440-S444 WeakPolarHBondContact O-CB 3.29Å; S440-S444 PolarHBondContact O-N 3.08Å; S440-S444 PolarHBondContact O-OG 3.37Å; M441-S444 PolarHBondContact O-N 2.76Å; M441-S444 PolarHBondContact O-OG 2.98Å; C442-S444 VanDerWaalsContact C-N 3.32Å; C442-S444 PolarHBondContact O-N 3.13Å
445	S	62.5	Low	62.4	Low	65 Å²	65	55.7 Å²	55.7	46%	0.455	30%	0.302	S	S	.	.	H	α-helix	trans	-80.7	-31.6	179.6	82.9	0	0	0	0	112.8	M441 C442	M441-S445 PolarHBondContact O-N 3.03Å; M441-S445 VanDerWaalsContact O-N 3.12Å; C442-S445 PolarHBondContact O-N 3.17Å; C442-S445 PolarHBondContact O-OG 3.26Å
446	M	62.6	Low	62.4	Low	12 Å²	12	61.1 Å²	61.1	6%	0.059	32%	0.323	C	S	.	.	H	α-helix	trans	-105.9	-16.8	-174.2	-73.1	141.7	176.6	0	0	114.7	E410 L413 A414 M417 C442 K448 K449 L450	E410-M446 WeakPolarHBondContact O-CE 3.41Å; L413-M446 HydrophobicContact CB-CE 3.22Å; L413-M446 HydrophobicContact CB-SD 3.24Å; L413-M446 WeakPolarHBondContact CB-SD 3.37Å; L413-M446 HydrophobicContact CD1-CE 4.31Å; L413-M446 HydrophobicContact CD1-SD 3.48Å; L413-M446 WeakPolarHBondContact CD1-SD 3.12Å; L413-M446 HydrophobicContact CG-CE 4.38Å; L413-M446 HydrophobicContact CG-SD 3.95Å; A414-M446 HydrophobicContact CB-CE 4.39Å; M417-M446 HydrophobicContact CE-CB 3.84Å; M417-M446 HydrophobicContact CE-CG 4.16Å; M417-M446 HydrophobicContact SD-CB 3.66Å; M417-M446 HydrophobicContact SD-CG 3.68Å; M417-M446 HydrophobicContact SD-SD 4.3Å; C442-M446 HydrophobicContact CB-SD 4.35Å; C442-M446 VanDerWaalsContact O-CB 3.24Å; C442-M446 WeakPolarHBondContact O-CB 3.33Å; C442-M446 PolarHBondContact O-N 2.89Å; M446-K448 PolarHBondContact O-N 3.46Å; M446-K449 WeakPolarHBondContact O-CA 3.21Å; M446-K449 PolarHBondContact O-N 2.87Å; M446-L450 HydrophobicContact CB-CD1 4.42Å; M446-L450 PolarHBondContact O-N 3.07Å
447	G	62.7	Low	62.4	Low	1 Å²	1	62.6 Å²	62.6	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-53.9	-39.2	178.7	0	0	0	0	0	111.9	L443 K449 L450 C451	L443-G447 WeakPolarHBondContact O-CA 3.46Å; L443-G447 PolarHBondContact O-N 2.82Å; G447-K449 VanDerWaalsContact C-N 3.35Å; G447-K449 PolarHBondContact O-N 3.31Å; G447-L450 PolarHBondContact O-N 3.45Å; G447-C451 VanDerWaalsContact O-CB 3.29Å; G447-C451 WeakPolarHBondContact O-CB 3.37Å; G447-C451 PolarHBondContact O-N 3.11Å
448	K	63.9	Low	62.4	Low	124 Å²	124	58.8 Å²	58.8	54%	0.539	31%	0.308	S	S	.	.	H	α-helix	trans	-55.8	-44.9	172.8	-70	-176.2	177.8	-174.1	0	113.4	M446 A452 D484	M446-K448 PolarHBondContact O-N 3.46Å; K448-A452 WeakPolarHBondContact O-CB 3.28Å; K448-A452 PolarHBondContact O-N 2.83Å; K448-D484 WeakPolarHBondContact CE-OD2 3.4Å; K448-D484 WeakPolarHBondContact CG-OD2 3.44Å
449	K	64.2	Low	62.4	Low	117 Å²	117	54.1 Å²	54.1	51%	0.509	29%	0.293	S	S	.	.	H	α-helix	trans	-75.8	-40.5	179.7	-76.9	-178.4	-179.4	179.2	0	111.5	M417 M446 G447 A452 T453	M417-K449 HydrophobicContact CE-CB 3.4Å; M417-K449 HydrophobicContact CE-CD 4.41Å; M446-K449 WeakPolarHBondContact O-CA 3.21Å; M446-K449 PolarHBondContact O-N 2.87Å; G447-K449 VanDerWaalsContact C-N 3.35Å; G447-K449 PolarHBondContact O-N 3.31Å; K449-A452 PolarHBondContact O-N 3.08Å; K449-T453 PolarHBondContact O-N 3.34Å; K449-T453 PolarHBondContact O-OG1 2.68Å
450	L	63.6	Low	62.2	Low	1 Å²	1	57.4 Å²	57.4	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-64.9	-43.4	178	-69.9	167.9	0	0	0	111.7	M417 F423 I427 I430 M446 G447 A452 T453 A454 L458	M417-L450 HydrophobicContact CE-CB 4.44Å; M417-L450 HydrophobicContact CE-CD1 4.39Å; M417-L450 HydrophobicContact CE-CD2 3.68Å; M417-L450 HydrophobicContact CE-CG 3.48Å; M417-L450 VanDerWaalsContact CE-CG 3.48Å; M417-L450 HydrophobicContact CG-CD2 4.39Å; M417-L450 HydrophobicContact SD-CD1 4.38Å; M417-L450 HydrophobicContact SD-CD2 3.92Å; M417-L450 HydrophobicContact SD-CG 3.98Å; F423-L450 HydrophobicContact CB-CD2 4.46Å; F423-L450 HydrophobicContact CD1-CD2 3.86Å; I427-L450 HydrophobicContact CG1-CD2 4.48Å; I430-L450 HydrophobicContact CD1-CD1 4.37Å; M446-L450 HydrophobicContact CB-CD1 4.42Å; M446-L450 PolarHBondContact O-N 3.07Å; G447-L450 PolarHBondContact O-N 3.45Å; L450-A452 VanDerWaalsContact C-N 3.28Å; L450-A452 PolarHBondContact O-N 3.04Å; L450-T453 PolarHBondContact O-N 2.78Å; L450-A454 CarbonylContact O-C 3.54Å; L450-A454 PolarHBondContact O-N 2.95Å; L450-L458 HydrophobicContact CB-CD1 3.37Å; L450-L458 HydrophobicContact CD1-CD1 4.03Å; L450-L458 HydrophobicContact CG-CD1 4.28Å
451	C	61.9	Low	62.2	Low	11 Å²	11	57.6 Å²	57.6	7%	0.074	31%	0.306	C	S	.	.	H	α-helix	trans	-60.5	-35.9	174.1	-83.4	0	0	0	0	112.7	G447 E455 W480	G447-C451 VanDerWaalsContact O-CB 3.29Å; G447-C451 WeakPolarHBondContact O-CB 3.37Å; G447-C451 PolarHBondContact O-N 3.11Å; C451-E455 WeakPolarHBondContact O-CG 3.45Å; C451-W480 WeakPolarHBondContact SG-CH2 3.12Å
452	A	62.1	Low	62.1	Low	76 Å²	76	52.9 Å²	52.9	63%	0.628	28%	0.284	S	S	*	.	H	α-helix	trans	-77.5	-18.4	-178.1	0	0	0	0	0	114.4	K448 K449 L450	K448-A452 WeakPolarHBondContact O-CB 3.28Å; K448-A452 PolarHBondContact O-N 2.83Å; K449-A452 PolarHBondContact O-N 3.08Å; L450-A452 VanDerWaalsContact C-N 3.28Å; L450-A452 PolarHBondContact O-N 3.04Å
453	T	61.5	Low	61.9	Low	89 Å²	89	54.6 Å²	54.6	55%	0.546	29%	0.291	S	S	.	.	H	α-helix	trans	-130.7	-20.1	-169	44.8	0	0	0	0	115.6	F423 K449 L450	F423-T453 VanDerWaalsContact CE1-OG1 3.28Å; F423-T453 WeakPolarHBondContact CE1-OG1 3.23Å; F423-T453 HydrophobicContact CZ-CG2 4.27Å; F423-T453 VanDerWaalsContact CZ-OG1 3.25Å; F423-T453 WeakPolarHBondContact CZ-OG1 3.42Å; K449-T453 PolarHBondContact O-N 3.34Å; K449-T453 PolarHBondContact O-OG1 2.68Å; L450-T453 PolarHBondContact O-N 2.78Å
454	A	60.5	Low	61.3	Low	10 Å²	10	59.5 Å²	59.5	8%	0.083	32%	0.317	C	S	.	.			trans	-145	55.3	-172.5	0	0	0	0	0	111.2	F423 L450 E456 L457 L458	F423-A454 HydrophobicContact CB-CB 3.8Å; F423-A454 HydrophobicContact CD1-CB 4.25Å; F423-A454 HydrophobicContact CD2-CB 4.02Å; F423-A454 HydrophobicContact CG-CB 3.75Å; L450-A454 CarbonylContact O-C 3.54Å; L450-A454 PolarHBondContact O-N 2.95Å; A454-E456 PolarHBondContact O-N 3.43Å; A454-L457 HydrophobicContact CB-CB 4.31Å; A454-L457 HydrophobicContact CB-CD1 4.15Å; A454-L457 PolarHBondContact O-N 3.41Å; A454-L458 PolarHBondContact O-N 3.44Å
455	E	61.5	Low	60.9	Low	108 Å²	108	64.8 Å²	64.8	51%	0.505	33%	0.327	S	S	.	.	H	α-helix	trans	-53.5	-46.1	-176.8	-69.6	-178.2	-168.2	0	0	113.2	C451 Y491	C451-E455 WeakPolarHBondContact O-CG 3.45Å; E455-Y491 VanDerWaalsContact CB-OH 3.29Å; E455-Y491 WeakPolarHBondContact CB-OH 3.44Å; E455-Y491 VanDerWaalsContact CD-OH 3.25Å; E455-Y491 VanDerWaalsContact CG-OH 3.22Å; E455-Y491 WeakPolarHBondContact CG-OH 3.41Å; E455-Y491 PolarHBondContact OE2-OH 2.75Å; E455-Y491 VanDerWaalsContact OE2-OH 3.11Å
456	E	61.9	Low	60.5	Low	170 Å²	170	62.8 Å²	62.8	79%	0.794	31%	0.313	S	S	*	.	H	α-helix	trans	-71	-34.6	-177.6	-63.4	179.9	170.7	0	0	113.2	A454 L459 E460	A454-E456 PolarHBondContact O-N 3.43Å; E456-L459 WeakPolarHBondContact O-CB 3.3Å; E456-L459 PolarHBondContact O-N 3.21Å; E456-E460 PolarHBondContact O-N 2.92Å
457	L	60.4	Low	60	Low	53 Å²	53	63.6 Å²	63.6	28%	0.277	32%	0.321	S	S	.	.	H	α-helix	trans	-75.7	-29.8	-177.9	-69.4	168.7	0	0	0	111.8	F423 I427 A454 L459 E460 F461	F423-L457 HydrophobicContact CB-CD1 4.09Å; I427-L457 HydrophobicContact CD1-CB 3.58Å; A454-L457 HydrophobicContact CB-CB 4.31Å; A454-L457 HydrophobicContact CB-CD1 4.15Å; A454-L457 PolarHBondContact O-N 3.41Å; L457-L459 VanDerWaalsContact C-N 3.32Å; L457-E460 PolarHBondContact O-N 2.91Å; L457-F461 WeakPolarHBondContact O-CB 3.44Å; L457-F461 PolarHBondContact O-N 3.06Å
458	L	62	Low	59.6	Low	12 Å²	12	73 Å²	73	6%	0.063	36%	0.362	C	S	.	.	H	α-helix	trans	-65.3	-39.5	175.4	-161.1	117.2	0	0	0	110.9	L450 A454 F461 V462 W480	L450-L458 HydrophobicContact CB-CD1 3.37Å; L450-L458 HydrophobicContact CD1-CD1 4.03Å; L450-L458 HydrophobicContact CG-CD1 4.28Å; A454-L458 PolarHBondContact O-N 3.44Å; L458-F461 PolarHBondContact O-N 3.16Å; L458-V462 HydrophobicContact CD2-CG2 4.38Å; L458-V462 HydrophobicContact CG-CG2 4.49Å; L458-V462 WeakPolarHBondContact O-CB 3.24Å; L458-V462 VanDerWaalsContact O-CG2 3.22Å; L458-V462 WeakPolarHBondContact O-CG2 3.43Å; L458-V462 PolarHBondContact O-N 2.78Å; L458-W480 HydrophobicContact CD2-CH2 4.41Å
459	L	61.8	Low	59.2	Low	39 Å²	39	76.1 Å²	76.1	20%	0.204	38%	0.378	C	S	.	.	H	α-helix	trans	-58.9	-54.7	170	-98.4	129.4	0	0	0	111.1	E456 L457 F461 V462 F463 Y491 E494	E456-L459 WeakPolarHBondContact O-CB 3.3Å; E456-L459 PolarHBondContact O-N 3.21Å; L457-L459 VanDerWaalsContact C-N 3.32Å; L459-F461 PolarHBondContact O-N 2.66Å; L459-F461 VanDerWaalsContact O-N 3.17Å; L459-V462 PolarHBondContact O-N 2.98Å; L459-F463 HydrophobicContact CB-CD2 4.06Å; L459-F463 HydrophobicContact CB-CE2 4.27Å; L459-F463 HydrophobicContact CD2-CD2 3.54Å; L459-F463 HydrophobicContact CD2-CE2 3.25Å; L459-F463 HydrophobicContact CD2-CZ 4.36Å; L459-F463 HydrophobicContact CG-CD2 4.02Å; L459-F463 HydrophobicContact CG-CE2 3.74Å; L459-F463 VanDerWaalsContact O-CB 3.27Å; L459-F463 WeakPolarHBondContact O-CB 3.27Å; L459-F463 WeakPolarHBondContact O-CD2 3.49Å; L459-F463 WeakPolarHBondContact O-CG 3.49Å; L459-F463 PolarHBondContact O-N 3.29Å; L459-Y491 HydrophobicContact CD1-CD1 3.67Å; L459-Y491 HydrophobicContact CD1-CE1 3.49Å; L459-Y491 VanDerWaalsContact CD1-CE1 3.49Å; L459-Y491 HydrophobicContact CG-CD1 4.39Å; L459-E494 WeakPolarHBondContact CD2-OE2 3.48Å
460	E	60.8	Low	59.1	Low	108 Å²	108	73.4 Å²	73.4	51%	0.505	37%	0.369	S	S	.	.	H	α-helix	trans	-51.6	-43.8	175.9	-106	-157.7	120.8	0	0	111.7	E456 L457 L464	E456-E460 PolarHBondContact O-N 2.92Å; L457-E460 PolarHBondContact O-N 2.91Å; E460-L464 HydrophobicContact CB-CD1 3.91Å; E460-L464 HydrophobicContact CG-CD1 3.49Å; E460-L464 VanDerWaalsContact CG-CD1 3.49Å; E460-L464 WeakPolarHBondContact O-CB 3.45Å; E460-L464 WeakPolarHBondContact O-CG 3.43Å; E460-L464 PolarHBondContact O-N 2.91Å; E460-L464 VanDerWaalsContact OE1-CD1 3.25Å; E460-L464 WeakPolarHBondContact OE1-CD1 3.17Å
461	F	59.8	Low	59.2	Low	24 Å²	24	80.6 Å²	80.6	11%	0.105	40%	0.4	C	S	.	.	H	α-helix	trans	-69.4	-48.7	-177.1	-174.2	-120.6	0	0	0	114.1	I427 I430 L443 L457 L458 L459 F463	I427-F461 HydrophobicContact CB-CD2 4.33Å; I427-F461 HydrophobicContact CB-CG 4.39Å; I427-F461 HydrophobicContact CD1-CB 4.45Å; I427-F461 HydrophobicContact CG1-CB 4.39Å; I427-F461 HydrophobicContact CG1-CG 4.47Å; I427-F461 HydrophobicContact CG2-CB 3.47Å; I427-F461 VanDerWaalsContact CG2-CB 3.47Å; I427-F461 HydrophobicContact CG2-CD1 4.42Å; I427-F461 HydrophobicContact CG2-CD2 3.24Å; I427-F461 HydrophobicContact CG2-CE2 4.01Å; I427-F461 HydrophobicContact CG2-CG 3.46Å; I427-F461 VanDerWaalsContact CG2-CG 3.46Å; I427-F461 WeakPolarHBondContact O-CE2 3.15Å; I427-F461 WeakPolarHBondContact O-CZ 3.11Å; I430-F461 HydrophobicContact CB-CE1 4.01Å; I430-F461 HydrophobicContact CB-CZ 3.63Å; I430-F461 HydrophobicContact CG2-CE1 3.69Å; I430-F461 HydrophobicContact CG2-CZ 3.57Å; L443-F461 HydrophobicContact CD2-CE1 4.37Å; L457-F461 WeakPolarHBondContact O-CB 3.44Å; L457-F461 PolarHBondContact O-N 3.06Å; L458-F461 PolarHBondContact O-N 3.16Å; L459-F461 PolarHBondContact O-N 2.66Å; L459-F461 VanDerWaalsContact O-N 3.17Å; F461-F463 VanDerWaalsContact C-N 3.27Å; F461-F463 PolarHBondContact O-N 3.07Å
462	V	61	Low	59.4	Low	6 Å²	6	86.3 Å²	86.3	4%	0.036	43%	0.426	C	S	.	.	H	α-helix	trans	-63	-39.9	-179.9	172.2	0	0	0	0	109.3	L458 L459 S466 W474 L477	L458-V462 HydrophobicContact CD2-CG2 4.38Å; L458-V462 HydrophobicContact CG-CG2 4.49Å; L458-V462 WeakPolarHBondContact O-CB 3.24Å; L458-V462 VanDerWaalsContact O-CG2 3.22Å; L458-V462 WeakPolarHBondContact O-CG2 3.43Å; L458-V462 PolarHBondContact O-N 2.78Å; L459-V462 PolarHBondContact O-N 2.98Å; V462-S466 PolarHBondContact O-OG 2.94Å; V462-W474 HydrophobicContact CG1-CH2 4.33Å; V462-W474 HydrophobicContact CG1-CZ3 4.3Å; V462-L477 HydrophobicContact CG1-CD2 3.77Å; V462-L477 HydrophobicContact CG2-CD1 4.5Å
463	F	58	Low	59.7	Low	38 Å²	38	83.1 Å²	83.1	17%	0.167	40%	0.398	C	S	.	.	H	α-helix	trans	-90.4	-30.8	-172.8	-64.1	-62.2	0	0	0	115.5	L459 F461 W474 E494 A495 H498	L459-F463 HydrophobicContact CB-CD2 4.06Å; L459-F463 HydrophobicContact CB-CE2 4.27Å; L459-F463 HydrophobicContact CD2-CD2 3.54Å; L459-F463 HydrophobicContact CD2-CE2 3.25Å; L459-F463 HydrophobicContact CD2-CZ 4.36Å; L459-F463 HydrophobicContact CG-CD2 4.02Å; L459-F463 HydrophobicContact CG-CE2 3.74Å; L459-F463 VanDerWaalsContact O-CB 3.27Å; L459-F463 WeakPolarHBondContact O-CB 3.27Å; L459-F463 WeakPolarHBondContact O-CD2 3.49Å; L459-F463 WeakPolarHBondContact O-CG 3.49Å; L459-F463 PolarHBondContact O-N 3.29Å; F461-F463 VanDerWaalsContact C-N 3.27Å; F461-F463 PolarHBondContact O-N 3.07Å; F463-W474 HydrophobicContact CE1-CH2 4.3Å; F463-E494 HydrophobicContact CE2-CB 4.43Å; F463-E494 HydrophobicContact CZ-CB 4Å; F463-A495 HydrophobicContact CZ-CB 4.41Å; F463-H498 HydrophobicContact CD1-CB 3.94Å; F463-H498 AromaticContact CD1-CD2 3.12Å; F463-H498 WeakPolarHBondContact CD1-CD2 3.29Å; F463-H498 AromaticContact CD1-CE1 3.9Å; F463-H498 AromaticContact CD1-CG 3.37Å; F463-H498 AromaticContact CD1-ND1 3.86Å; F463-H498 AromaticContact CD1-NE2 3.48Å; F463-H498 WeakPolarHBondContact CD1-NE2 3.35Å; F463-H498 HydrophobicContact CE1-CB 3.69Å; F463-H498 AromaticContact CE1-CD2 3.01Å; F463-H498 WeakPolarHBondContact CE1-CD2 3.35Å; F463-H498 AromaticContact CE1-CG 3.43Å; F463-H498 VanDerWaalsContact CE1-CG 3.43Å; F463-H498 AromaticContact CE1-NE2 3.81Å; F463-H498 AromaticContact CG-NE2 3.97Å; F463-H498 AromaticContact CZ-CD2 3.85Å
464	L	52.6	Low	60.2	Low	120 Å²	120	79 Å²	79	63%	0.628	37%	0.372	S	S	*	.	H	α-helix	trans	-86.2	-22	-174.8	-76.8	160.8	0	0	0	115.7	E460	E460-L464 HydrophobicContact CB-CD1 3.91Å; E460-L464 HydrophobicContact CG-CD1 3.49Å; E460-L464 VanDerWaalsContact CG-CD1 3.49Å; E460-L464 WeakPolarHBondContact O-CB 3.45Å; E460-L464 WeakPolarHBondContact O-CG 3.43Å; E460-L464 PolarHBondContact O-N 2.91Å; E460-L464 VanDerWaalsContact OE1-CD1 3.25Å; E460-L464 WeakPolarHBondContact OE1-CD1 3.17Å
465	R	53.7	Low	60.8	Low	177 Å²	177	79.2 Å²	79.2	67%	0.668	38%	0.375	S	S	*	.	H	α-helix	trans	-126.9	-24.9	-173.5	-85	-173.2	172.2	-179.3	-2	116.5
466	S	54.4	Low	61.2	Low	23 Å²	23	79 Å²	79	16%	0.161	37%	0.371	C	S	.	.	S	Bend	trans	-94.8	-16.5	-172.9	82.2	0	0	0	0	114.9	V462 K468 F473	V462-S466 PolarHBondContact O-OG 2.94Å; S466-K468 VanDerWaalsContact C-N 3.27Å; S466-K468 PolarHBondContact O-N 2.94Å; S466-K468 VanDerWaalsContact O-N 3.09Å; S466-F473 WeakPolarHBondContact OG-CE1 3.41Å
467	A	51.7	Low	61.7	Low	28 Å²	28	71.3 Å²	71.3	23%	0.231	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-6.2	-165.2	0	0	0	0	0	116.2	W474	A467-W474 HydrophobicContact CB-CZ2 4.09Å
468	K	54.2	Low	62.4	Low	200 Å²	200	68.8 Å²	68.8	87%	0.87	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	-17.5	-175.6	-77	-172.7	176	-179.1	0	116.6	S466	S466-K468 VanDerWaalsContact C-N 3.27Å; S466-K468 PolarHBondContact O-N 2.94Å; S466-K468 VanDerWaalsContact O-N 3.09Å
469	E	56.8	Low	63.1	Low	189 Å²	189	73.5 Å²	73.5	88%	0.883	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129	-11.1	-162.5	-67.6	-174.4	173.2	0	0	116.6
470	N	61.8	Low	63.6	Low	60 Å²	60	73.2 Å²	73.2	32%	0.321	34%	0.338	S	S	.	.			trans	-142.1	105	-176	-154.3	-26.6	0	0	0	115.4	A436 H472 F473	A436-N470 VanDerWaalsContact CB-ND2 3.34Å; A436-N470 WeakPolarHBondContact CB-ND2 3.34Å; N470-H472 VanDerWaalsContact C-N 3.26Å; N470-H472 PolarHBondContact O-N 2.88Å; N470-H472 WeakPolarHBondContact OD1-CB 3.34Å; N470-H472 PolarHBondContact OD1-N 3.01Å; N470-H472 VanDerWaalsContact OD1-N 3.08Å; N470-F473 HydrophobicContact CB-CB 4.23Å; N470-F473 WeakPolarHBondContact O-CB 3.47Å; N470-F473 PolarHBondContact O-N 2.96Å
471	K	64.9	Low	64.3	Low	151 Å²	151	68.5 Å²	68.5	66%	0.657	32%	0.316	S	S	*	.	H	α-helix	trans	-62.7	-31.3	175.3	-60.5	-170.8	176.2	-180	0	112.7	W474 G475 A504	K471-W474 PolarHBondContact O-N 3.35Å; K471-G475 PolarHBondContact O-N 3.34Å; K471-A504 WeakPolarHBondContact CG-O 3.29Å
472	H	66.3	Low	65.1	Low	132 Å²	132	67.4 Å²	67.4	61%	0.611	31%	0.311	S	S	*	.	H	α-helix	trans	-67.8	-36.7	-179.4	-63.4	-77.6	0	0	0	112	N470 W474 G475 Y476	N470-H472 VanDerWaalsContact C-N 3.26Å; N470-H472 PolarHBondContact O-N 2.88Å; N470-H472 WeakPolarHBondContact OD1-CB 3.34Å; N470-H472 PolarHBondContact OD1-N 3.01Å; N470-H472 VanDerWaalsContact OD1-N 3.08Å; H472-W474 VanDerWaalsContact C-N 3.32Å; H472-W474 PolarHBondContact O-N 3.13Å; H472-G475 PolarHBondContact O-N 3.21Å; H472-G475 VanDerWaalsContact O-N 3.11Å; H472-Y476 HydrophobicContact CB-CE2 4.26Å; H472-Y476 WeakPolarHBondContact O-CD2 3.21Å; H472-Y476 PolarHBondContact O-N 3.01Å; H472-Y476 VanDerWaalsContact O-N 3.08Å
473	F	68.2	Low	65.8	Low	9 Å²	9	72.7 Å²	72.7	4%	0.039	34%	0.339	C	S	.	.	H	α-helix	trans	-55.7	-47	178.2	176.4	-97.1	0	0	0	111.8	L443 S466 N470 G475 Y476 L477	L443-F473 HydrophobicContact CD1-CE2 3.52Å; L443-F473 HydrophobicContact CD1-CZ 4Å; S466-F473 WeakPolarHBondContact OG-CE1 3.41Å; N470-F473 HydrophobicContact CB-CB 4.23Å; N470-F473 WeakPolarHBondContact O-CB 3.47Å; N470-F473 PolarHBondContact O-N 2.96Å; F473-G475 VanDerWaalsContact C-N 3.32Å; F473-G475 PolarHBondContact O-N 2.91Å; F473-Y476 PolarHBondContact O-N 3.03Å; F473-L477 HydrophobicContact CE1-CD2 4.27Å; F473-L477 WeakPolarHBondContact O-CB 3.4Å; F473-L477 PolarHBondContact O-N 2.81Å
474	W	71.8	Confident	66.4	Low	2 Å²	2	71.5 Å²	71.5	1%	0.008	34%	0.335	C	S	.	.	H	α-helix	trans	-64.1	-37.1	178.4	-67.1	108.6	0	0	0	112.6	V462 F463 A467 K471 H472 Y476 L477 L478 A495 H498 I499 A504 M505	V462-W474 HydrophobicContact CG1-CH2 4.33Å; V462-W474 HydrophobicContact CG1-CZ3 4.3Å; F463-W474 HydrophobicContact CE1-CH2 4.3Å; A467-W474 HydrophobicContact CB-CZ2 4.09Å; K471-W474 PolarHBondContact O-N 3.35Å; H472-W474 VanDerWaalsContact C-N 3.32Å; H472-W474 PolarHBondContact O-N 3.13Å; W474-Y476 VanDerWaalsContact C-N 3.35Å; W474-Y476 PolarHBondContact O-N 3.49Å; W474-L477 HydrophobicContact CE3-CD2 3.72Å; W474-L477 HydrophobicContact CZ3-CD2 3.68Å; W474-L477 PolarHBondContact O-N 2.89Å; W474-L478 WeakPolarHBondContact O-CB 3.29Å; W474-L478 VanDerWaalsContact O-CG 3.32Å; W474-L478 WeakPolarHBondContact O-CG 3.43Å; W474-L478 PolarHBondContact O-N 3.4Å; W474-A495 HydrophobicContact CZ3-CB 4.28Å; W474-H498 HydrophobicContact CH2-CB 4.3Å; W474-I499 HydrophobicContact CD2-CD1 4.24Å; W474-I499 HydrophobicContact CD2-CG1 3.75Å; W474-I499 HydrophobicContact CE3-CD1 3.68Å; W474-I499 HydrophobicContact CE3-CG1 3.53Å; W474-I499 HydrophobicContact CG-CG1 4.29Å; W474-I499 HydrophobicContact CH2-CG1 4.38Å; W474-I499 HydrophobicContact CZ3-CD1 4.17Å; W474-I499 HydrophobicContact CZ3-CG1 3.87Å; W474-A504 HydrophobicContact CG-CB 4.38Å; W474-M505 HydrophobicContact CB-CE 3.25Å; W474-M505 HydrophobicContact CB-CG 4.44Å; W474-M505 HydrophobicContact CB-SD 4.01Å; W474-M505 HydrophobicContact CG-CE 4.3Å
475	G	73.4	Confident	67.3	Low	14 Å²	14	69.7 Å²	69.7	14%	0.144	33%	0.33	C	S	.	.	H	α-helix	trans	-60.7	-42.1	174.2	0	0	0	0	0	112.8	K471 H472 F473 K479	K471-G475 PolarHBondContact O-N 3.34Å; H472-G475 PolarHBondContact O-N 3.21Å; H472-G475 VanDerWaalsContact O-N 3.11Å; F473-G475 VanDerWaalsContact C-N 3.32Å; F473-G475 PolarHBondContact O-N 2.91Å; G475-K479 WeakPolarHBondContact O-CG 3.08Å; G475-K479 PolarHBondContact O-N 2.79Å; G475-K479 VanDerWaalsContact O-N 3.14Å
476	Y	69.6	Low	68	Low	104 Å²	104	65.7 Å²	65.7	41%	0.408	33%	0.325	S	S	.	.	H	α-helix	trans	-70.2	-40.4	174.8	-70.6	-70.8	0	0	0	112.7	H472 F473 W474 K479 W480	H472-Y476 HydrophobicContact CB-CE2 4.26Å; H472-Y476 WeakPolarHBondContact O-CD2 3.21Å; H472-Y476 PolarHBondContact O-N 3.01Å; H472-Y476 VanDerWaalsContact O-N 3.08Å; F473-Y476 PolarHBondContact O-N 3.03Å; W474-Y476 VanDerWaalsContact C-N 3.35Å; W474-Y476 PolarHBondContact O-N 3.49Å; Y476-K479 PolarHBondContact O-N 2.58Å; Y476-W480 PolarHBondContact O-N 3.04Å
477	L	72.4	Confident	68.7	Low	9 Å²	9	65.2 Å²	65.2	5%	0.047	32%	0.321	C	S	.	.	H	α-helix	trans	-62.1	-47	177.9	-173.1	75.6	0	0	0	111.4	V462 F473 W474 K479 W480 F481	V462-L477 HydrophobicContact CG1-CD2 3.77Å; V462-L477 HydrophobicContact CG2-CD1 4.5Å; F473-L477 HydrophobicContact CE1-CD2 4.27Å; F473-L477 WeakPolarHBondContact O-CB 3.4Å; F473-L477 PolarHBondContact O-N 2.81Å; W474-L477 HydrophobicContact CE3-CD2 3.72Å; W474-L477 HydrophobicContact CZ3-CD2 3.68Å; W474-L477 PolarHBondContact O-N 2.89Å; L477-K479 VanDerWaalsContact C-N 3.34Å; L477-K479 PolarHBondContact O-N 3.05Å; L477-W480 HydrophobicContact CD1-CE3 3.96Å; L477-W480 HydrophobicContact CD1-CZ3 4.2Å; L477-W480 WeakPolarHBondContact O-CB 3.21Å; L477-W480 PolarHBondContact O-N 3.16Å; L477-F481 HydrophobicContact CD1-CE1 4.34Å; L477-F481 HydrophobicContact CD1-CE2 4.43Å; L477-F481 HydrophobicContact CD1-CZ 4.01Å; L477-F481 HydrophobicContact CD2-CE2 3.79Å; L477-F481 HydrophobicContact CD2-CZ 3.95Å; L477-F481 HydrophobicContact CG-CD2 4.31Å; L477-F481 HydrophobicContact CG-CE1 4.43Å; L477-F481 HydrophobicContact CG-CE2 3.7Å; L477-F481 HydrophobicContact CG-CZ 3.78Å; L477-F481 WeakPolarHBondContact O-CG 3.04Å; L477-F481 PolarHBondContact O-N 2.87Å
478	L	76.5	Confident	69.7	Low	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.7	-37.1	176.6	-69.1	-174.2	0	0	0	112	W474 W480 F481 A482 I499 M505 V510 I513 L514	W474-L478 WeakPolarHBondContact O-CB 3.29Å; W474-L478 VanDerWaalsContact O-CG 3.32Å; W474-L478 WeakPolarHBondContact O-CG 3.43Å; W474-L478 PolarHBondContact O-N 3.4Å; L478-W480 VanDerWaalsContact C-N 3.31Å; L478-W480 PolarHBondContact O-N 3.31Å; L478-F481 HydrophobicContact CD2-CD2 4.06Å; L478-F481 PolarHBondContact O-N 3.04Å; L478-A482 WeakPolarHBondContact O-CB 3.49Å; L478-A482 PolarHBondContact O-N 3.24Å; L478-I499 HydrophobicContact CD1-CD1 4.08Å; L478-I499 HydrophobicContact CD2-CD1 3.88Å; L478-I499 HydrophobicContact CG-CD1 4.14Å; L478-M505 HydrophobicContact CD1-CE 3.27Å; L478-M505 HydrophobicContact CD1-SD 4.38Å; L478-M505 HydrophobicContact CG-CE 3.98Å; L478-V510 HydrophobicContact CD1-CB 4.08Å; L478-V510 HydrophobicContact CD1-CG1 3.84Å; L478-V510 HydrophobicContact CD1-CG2 3.93Å; L478-I513 VanDerWaalsContact C-CG2 3.42Å; L478-I513 HydrophobicContact CB-CB 4.27Å; L478-I513 HydrophobicContact CB-CG2 3.52Å; L478-I513 HydrophobicContact CD1-CD1 4.49Å; L478-L514 HydrophobicContact CB-CD2 4.33Å; L478-L514 HydrophobicContact CD2-CD1 4.25Å; L478-L514 HydrophobicContact CD2-CD2 4.04Å; L478-L514 HydrophobicContact CD2-CG 4.3Å
479	K	76.6	Confident	70.6	Confident	111 Å²	111	60.4 Å²	60.4	48%	0.483	30%	0.304	S	S	.	.	H	α-helix	trans	-63.1	-38.5	173.1	-81.9	-179.4	178.7	-179.5	0	111.7	G475 Y476 L477 A482 N483 I513	G475-K479 WeakPolarHBondContact O-CG 3.08Å; G475-K479 PolarHBondContact O-N 2.79Å; G475-K479 VanDerWaalsContact O-N 3.14Å; Y476-K479 PolarHBondContact O-N 2.58Å; L477-K479 VanDerWaalsContact C-N 3.34Å; L477-K479 PolarHBondContact O-N 3.05Å; K479-A482 PolarHBondContact O-N 2.98Å; K479-N483 WeakPolarHBondContact O-CB 3.43Å; K479-N483 PolarHBondContact O-N 3.04Å; K479-N483 VanDerWaalsContact O-N 3.09Å; K479-N483 PolarHBondContact O-ND2 2.84Å; K479-I513 HydrophobicContact CB-CG2 4.3Å; K479-I513 HydrophobicContact CG-CG2 3.71Å
480	W	72	Confident	71.5	Confident	33 Å²	33	56.4 Å²	56.4	13%	0.125	29%	0.285	C	S	.	.	H	α-helix	trans	-65.6	-46.6	174.4	172.5	60.3	0	0	0	111.5	C451 L458 Y476 L477 L478 A482 N483 D484 V487	C451-W480 WeakPolarHBondContact SG-CH2 3.12Å; L458-W480 HydrophobicContact CD2-CH2 4.41Å; Y476-W480 PolarHBondContact O-N 3.04Å; L477-W480 HydrophobicContact CD1-CE3 3.96Å; L477-W480 HydrophobicContact CD1-CZ3 4.2Å; L477-W480 WeakPolarHBondContact O-CB 3.21Å; L477-W480 PolarHBondContact O-N 3.16Å; L478-W480 VanDerWaalsContact C-N 3.31Å; L478-W480 PolarHBondContact O-N 3.31Å; W480-A482 VanDerWaalsContact C-N 3.26Å; W480-A482 PolarHBondContact O-N 2.82Å; W480-N483 PolarHBondContact O-N 3.11Å; W480-N483 VanDerWaalsContact O-N 3.17Å; W480-D484 PolarHBondContact NE1-OD2 2.84Å; W480-D484 VanDerWaalsContact NE1-OD2 3.11Å; W480-D484 WeakPolarHBondContact O-CB 3.32Å; W480-D484 PolarHBondContact O-N 3.15Å; W480-V487 HydrophobicContact CH2-CG2 4.41Å; W480-V487 HydrophobicContact CZ2-CG2 4.22Å
481	F	75.7	Confident	71.9	Confident	8 Å²	8	55 Å²	55	4%	0.035	28%	0.275	C	S	.	.	H	α-helix	trans	-57.9	-37.6	173.1	-65.8	-28.3	0	0	0	112.9	L477 L478 V487 V492 A495 L514	L477-F481 HydrophobicContact CD1-CE1 4.34Å; L477-F481 HydrophobicContact CD1-CE2 4.43Å; L477-F481 HydrophobicContact CD1-CZ 4.01Å; L477-F481 HydrophobicContact CD2-CE2 3.79Å; L477-F481 HydrophobicContact CD2-CZ 3.95Å; L477-F481 HydrophobicContact CG-CD2 4.31Å; L477-F481 HydrophobicContact CG-CE1 4.43Å; L477-F481 HydrophobicContact CG-CE2 3.7Å; L477-F481 HydrophobicContact CG-CZ 3.78Å; L477-F481 WeakPolarHBondContact O-CG 3.04Å; L477-F481 PolarHBondContact O-N 2.87Å; L478-F481 HydrophobicContact CD2-CD2 4.06Å; L478-F481 PolarHBondContact O-N 3.04Å; F481-V487 HydrophobicContact CD1-CB 4.42Å; F481-V487 HydrophobicContact CD1-CG1 3.54Å; F481-V487 HydrophobicContact CD1-CG2 4.1Å; F481-V487 HydrophobicContact CE1-CG1 3.97Å; F481-V487 HydrophobicContact CG-CG1 4.26Å; F481-V492 HydrophobicContact CB-CG2 4.15Å; F481-V492 HydrophobicContact CD2-CG2 4.26Å; F481-V492 HydrophobicContact CG-CG2 4.18Å; F481-A495 HydrophobicContact CE2-CB 3.66Å; F481-A495 HydrophobicContact CZ-CB 4.36Å; F481-L514 HydrophobicContact CB-CD2 4.41Å
482	A	75.8	Confident	72.5	Confident	2 Å²	2	47.8 Å²	47.8	2%	0.017	24%	0.244	C	C	.	.	H	α-helix	trans	-70.4	-32.2	178.8	0	0	0	0	0	113.1	L478 K479 W480 I513 S517	L478-A482 WeakPolarHBondContact O-CB 3.49Å; L478-A482 PolarHBondContact O-N 3.24Å; K479-A482 PolarHBondContact O-N 2.98Å; W480-A482 VanDerWaalsContact C-N 3.26Å; W480-A482 PolarHBondContact O-N 2.82Å; A482-I513 VanDerWaalsContact CB-O 3.31Å; A482-I513 WeakPolarHBondContact CB-O 3.31Å; A482-S517 WeakPolarHBondContact O-CA 3.46Å; A482-S517 VanDerWaalsContact O-CB 3.23Å; A482-S517 WeakPolarHBondContact O-CB 3.43Å; A482-S517 PolarHBondContact O-OG 2.64Å
483	N	76.3	Confident	73	Confident	117 Å²	117	43.8 Å²	43.8	63%	0.626	23%	0.226	S	C	*	.	H	α-helix	trans	-92.8	-21.3	-173.5	-72.2	-17.3	0	0	0	114.4	K479 W480	K479-N483 WeakPolarHBondContact O-CB 3.43Å; K479-N483 PolarHBondContact O-N 3.04Å; K479-N483 VanDerWaalsContact O-N 3.09Å; K479-N483 PolarHBondContact O-ND2 2.84Å; W480-N483 PolarHBondContact O-N 3.11Å; W480-N483 VanDerWaalsContact O-N 3.17Å
484	D	70.6	Confident	73.2	Confident	12 Å²	12	45.4 Å²	45.4	6%	0.064	23%	0.234	C	C	.	.			trans	-106.3	113	-171.4	-155.2	-15.3	0	0	0	112.1	K448 W480 T486 V487	K448-D484 WeakPolarHBondContact CE-OD2 3.4Å; K448-D484 WeakPolarHBondContact CG-OD2 3.44Å; W480-D484 PolarHBondContact NE1-OD2 2.84Å; W480-D484 VanDerWaalsContact NE1-OD2 3.11Å; W480-D484 WeakPolarHBondContact O-CB 3.32Å; W480-D484 PolarHBondContact O-N 3.15Å; D484-T486 PolarHBondContact O-N 3.28Å; D484-T486 PolarHBondContact OD1-OG1 3.36Å; D484-V487 HydrophobicContact CB-CG2 4.02Å; D484-V487 PolarHBondContact O-N 2.72Å
485	P	70.2	Confident	73.4	Confident	83 Å²	83	45.3 Å²	45.3	54%	0.539	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-11.1	-176.8	26.4	-34.3	0	0	0	114.4	V487 H519	P485-V487 VanDerWaalsContact C-N 3.32Å; P485-H519 HydrophobicContact CB-CB 4.41Å
486	T	69.2	Low	73.7	Confident	92 Å²	92	44.9 Å²	44.9	56%	0.564	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-3.3	-178.1	62.8	0	0	0	0	113.8	D484	D484-T486 PolarHBondContact O-N 3.28Å; D484-T486 PolarHBondContact OD1-OG1 3.36Å
487	V	69.1	Low	74	Confident	13 Å²	13	46.7 Å²	46.7	8%	0.079	23%	0.234	C	C	.	.	S	Bend	trans	-79.2	123.8	-177	177.2	0	0	0	0	109.7	W480 F481 D484 P485 Y491 V492	W480-V487 HydrophobicContact CH2-CG2 4.41Å; W480-V487 HydrophobicContact CZ2-CG2 4.22Å; F481-V487 HydrophobicContact CD1-CB 4.42Å; F481-V487 HydrophobicContact CD1-CG1 3.54Å; F481-V487 HydrophobicContact CD1-CG2 4.1Å; F481-V487 HydrophobicContact CE1-CG1 3.97Å; F481-V487 HydrophobicContact CG-CG1 4.26Å; D484-V487 HydrophobicContact CB-CG2 4.02Å; D484-V487 PolarHBondContact O-N 2.72Å; P485-V487 VanDerWaalsContact C-N 3.32Å; V487-Y491 HydrophobicContact CG1-CD2 4.29Å; V487-V492 HydrophobicContact CG1-CG2 4.06Å
488	S	72.7	Confident	74.1	Confident	55 Å²	55	49.8 Å²	49.8	39%	0.385	25%	0.248	S	C	.	.			trans	-64.7	136.9	172.6	176.8	0	0	0	0	111.4	H490 Y491	S488-H490 PolarHBondContact O-N 2.84Å; S488-H490 VanDerWaalsContact O-N 3.12Å; S488-H490 PolarHBondContact OG-N 2.83Å; S488-Y491 VanDerWaalsContact CB-CE2 3.42Å; S488-Y491 WeakPolarHBondContact O-CD2 3.35Å; S488-Y491 PolarHBondContact O-N 2.87Å
489	E	73.4	Confident	74.1	Confident	73 Å²	73	49.9 Å²	49.9	34%	0.341	25%	0.249	S	C	.	.	H	α-helix	trans	-53.8	-30.7	174.3	-62.2	-163.6	153.9	0	0	112.6	Y491 V492 I493 T521 C524	E489-Y491 VanDerWaalsContact C-N 3.31Å; E489-Y491 PolarHBondContact O-N 2.81Å; E489-V492 PolarHBondContact O-N 3.44Å; E489-I493 WeakPolarHBondContact O-CG1 3.49Å; E489-I493 PolarHBondContact O-N 2.74Å; E489-T521 VanDerWaalsContact CD-OG1 3.27Å; E489-T521 VanDerWaalsContact OE1-CB 3.32Å; E489-T521 WeakPolarHBondContact OE1-CB 3.27Å; E489-T521 WeakPolarHBondContact OE1-CG2 3.44Å; E489-T521 PolarHBondContact OE1-OG1 2.91Å; E489-T521 PolarHBondContact OE2-OG1 2.78Å; E489-C524 WeakPolarHBondContact CB-SG 3.32Å; E489-C524 WeakPolarHBondContact CG-SG 3.25Å; E489-C524 PolarHBondContact OE1-SG 2.9Å
490	H	74.7	Confident	74.1	Confident	105 Å²	105	46.1 Å²	46.1	49%	0.486	23%	0.233	S	C	.	.	H	α-helix	trans	-56.9	-42.7	177	-173.1	-86.9	0	0	0	112.4	S488 V492 I493 E494	S488-H490 PolarHBondContact O-N 2.84Å; S488-H490 VanDerWaalsContact O-N 3.12Å; S488-H490 PolarHBondContact OG-N 2.83Å; H490-V492 VanDerWaalsContact C-N 3.34Å; H490-V492 PolarHBondContact O-N 2.82Å; H490-I493 PolarHBondContact O-N 3.46Å; H490-E494 IonicContact CE1-OE1 3.68Å; H490-E494 PolarHBondContact CE1-OE1 3.36Å; H490-E494 IonicContact CE1-OE2 2.73Å; H490-E494 PolarHBondContact CE1-OE2 3.24Å; H490-E494 IonicContact ND1-OE2 2.88Å; H490-E494 PolarHBondContact ND1-OE2 3.46Å; H490-E494 VanDerWaalsContact ND1-OE2 3.12Å; H490-E494 PolarHBondContact O-N 2.8Å
491	Y	71.6	Confident	74.2	Confident	29 Å²	29	50.4 Å²	50.4	11%	0.114	26%	0.258	C	S	.	.	H	α-helix	trans	-68.2	-36.7	-179.3	-55.5	-53.4	0	0	0	111.9	E455 L459 V487 S488 E489 I493 E494 A495	E455-Y491 VanDerWaalsContact CB-OH 3.29Å; E455-Y491 WeakPolarHBondContact CB-OH 3.44Å; E455-Y491 VanDerWaalsContact CD-OH 3.25Å; E455-Y491 VanDerWaalsContact CG-OH 3.22Å; E455-Y491 WeakPolarHBondContact CG-OH 3.41Å; E455-Y491 PolarHBondContact OE2-OH 2.75Å; E455-Y491 VanDerWaalsContact OE2-OH 3.11Å; L459-Y491 HydrophobicContact CD1-CD1 3.67Å; L459-Y491 HydrophobicContact CD1-CE1 3.49Å; L459-Y491 VanDerWaalsContact CD1-CE1 3.49Å; L459-Y491 HydrophobicContact CG-CD1 4.39Å; V487-Y491 HydrophobicContact CG1-CD2 4.29Å; S488-Y491 VanDerWaalsContact CB-CE2 3.42Å; S488-Y491 WeakPolarHBondContact O-CD2 3.35Å; S488-Y491 PolarHBondContact O-N 2.87Å; E489-Y491 VanDerWaalsContact C-N 3.31Å; E489-Y491 PolarHBondContact O-N 2.81Å; Y491-I493 VanDerWaalsContact C-N 3.34Å; Y491-E494 PolarHBondContact O-N 2.79Å; Y491-A495 VanDerWaalsContact O-CB 3.23Å; Y491-A495 WeakPolarHBondContact O-CB 3.43Å; Y491-A495 PolarHBondContact O-N 3.22Å
492	V	76.4	Confident	74.1	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.5	-43.8	176.2	-176.6	0	0	0	0	109.5	F481 V487 E489 H490 A495 L496 L514 L520 C524	F481-V492 HydrophobicContact CB-CG2 4.15Å; F481-V492 HydrophobicContact CD2-CG2 4.26Å; F481-V492 HydrophobicContact CG-CG2 4.18Å; V487-V492 HydrophobicContact CG1-CG2 4.06Å; E489-V492 PolarHBondContact O-N 3.44Å; H490-V492 VanDerWaalsContact C-N 3.34Å; H490-V492 PolarHBondContact O-N 2.82Å; V492-A495 PolarHBondContact O-N 2.72Å; V492-L496 HydrophobicContact CG1-CD1 3.97Å; V492-L496 HydrophobicContact CG1-CG 4.39Å; V492-L496 WeakPolarHBondContact O-CB 3.17Å; V492-L496 WeakPolarHBondContact O-CG 3.33Å; V492-L496 PolarHBondContact O-N 3.43Å; V492-L514 HydrophobicContact CG1-CD1 4.01Å; V492-L514 HydrophobicContact CG1-CD2 4.3Å; V492-L520 HydrophobicContact CG2-CD2 3.85Å; V492-C524 HydrophobicContact CG1-CB 4.41Å
493	I	76.5	Confident	74	Confident	49 Å²	49	59.5 Å²	59.5	25%	0.251	31%	0.309	S	S	.	.	H	α-helix	trans	-62.6	-45.4	177.9	-65.4	164.4	0	0	0	111.5	E489 H490 Y491 L496 R497	E489-I493 WeakPolarHBondContact O-CG1 3.49Å; E489-I493 PolarHBondContact O-N 2.74Å; H490-I493 PolarHBondContact O-N 3.46Å; Y491-I493 VanDerWaalsContact C-N 3.34Å; I493-L496 PolarHBondContact O-N 2.84Å; I493-R497 WeakPolarHBondContact O-CG 3.43Å; I493-R497 PolarHBondContact O-N 3.28Å
494	E	73.7	Confident	73.7	Confident	43 Å²	43	54.5 Å²	54.5	20%	0.201	28%	0.284	C	S	.	.	H	α-helix	trans	-66.7	-42.4	177.4	-75.7	-175.8	134.2	0	0	112.4	L459 F463 H490 Y491 L496 R497 H498	L459-E494 WeakPolarHBondContact CD2-OE2 3.48Å; F463-E494 HydrophobicContact CE2-CB 4.43Å; F463-E494 HydrophobicContact CZ-CB 4Å; H490-E494 IonicContact CE1-OE1 3.68Å; H490-E494 PolarHBondContact CE1-OE1 3.36Å; H490-E494 IonicContact CE1-OE2 2.73Å; H490-E494 PolarHBondContact CE1-OE2 3.24Å; H490-E494 IonicContact ND1-OE2 2.88Å; H490-E494 PolarHBondContact ND1-OE2 3.46Å; H490-E494 VanDerWaalsContact ND1-OE2 3.12Å; H490-E494 PolarHBondContact O-N 2.8Å; Y491-E494 PolarHBondContact O-N 2.79Å; E494-L496 VanDerWaalsContact C-N 3.29Å; E494-L496 PolarHBondContact O-N 2.95Å; E494-R497 WeakPolarHBondContact O-CB 3.22Å; E494-R497 PolarHBondContact O-N 3.43Å; E494-H498 PolarHBondContact O-CD2 3.22Å; E494-H498 VanDerWaalsContact O-CD2 3.29Å; E494-H498 PolarHBondContact O-N 2.98Å
495	A	75.5	Confident	73.9	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.8	-42.6	174.1	0	0	0	0	0	111.4	F463 W474 F481 Y491 V492 H498 I499	F463-A495 HydrophobicContact CZ-CB 4.41Å; W474-A495 HydrophobicContact CZ3-CB 4.28Å; F481-A495 HydrophobicContact CE2-CB 3.66Å; F481-A495 HydrophobicContact CZ-CB 4.36Å; Y491-A495 VanDerWaalsContact O-CB 3.23Å; Y491-A495 WeakPolarHBondContact O-CB 3.43Å; Y491-A495 PolarHBondContact O-N 3.22Å; V492-A495 PolarHBondContact O-N 2.72Å; A495-H498 PolarHBondContact O-N 2.8Å; A495-I499 WeakPolarHBondContact O-CB 3.12Å; A495-I499 WeakPolarHBondContact O-CD1 3.28Å; A495-I499 VanDerWaalsContact O-CG1 3.22Å; A495-I499 WeakPolarHBondContact O-CG1 3.47Å; A495-I499 PolarHBondContact O-N 2.89Å
496	L	78.8	Confident	74.3	Confident	4 Å²	4	57.4 Å²	57.4	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-64.3	-40.7	176.1	-72.4	172.4	0	0	0	112.7	V492 I493 E494 H498 I499 Q500 V510 L514 I525 F528	V492-L496 HydrophobicContact CG1-CD1 3.97Å; V492-L496 HydrophobicContact CG1-CG 4.39Å; V492-L496 WeakPolarHBondContact O-CB 3.17Å; V492-L496 WeakPolarHBondContact O-CG 3.33Å; V492-L496 PolarHBondContact O-N 3.43Å; I493-L496 PolarHBondContact O-N 2.84Å; E494-L496 VanDerWaalsContact C-N 3.29Å; E494-L496 PolarHBondContact O-N 2.95Å; L496-H498 VanDerWaalsContact C-N 3.33Å; L496-H498 PolarHBondContact O-N 3.27Å; L496-I499 PolarHBondContact O-N 2.8Å; L496-Q500 VanDerWaalsContact O-CB 3.25Å; L496-Q500 WeakPolarHBondContact O-CB 3.49Å; L496-Q500 PolarHBondContact O-N 3.06Å; L496-V510 HydrophobicContact CD2-CG1 3.27Å; L496-L514 HydrophobicContact CD1-CD1 3.99Å; L496-L514 HydrophobicContact CD2-CD1 3.82Å; L496-L514 HydrophobicContact CG-CD1 4.25Å; L496-I525 HydrophobicContact CD1-CG2 3.96Å; L496-F528 HydrophobicContact CB-CB 4.32Å; L496-F528 HydrophobicContact CB-CD2 4.14Å; L496-F528 HydrophobicContact CB-CG 4.38Å; L496-F528 HydrophobicContact CD1-CB 4.14Å; L496-F528 HydrophobicContact CD1-CG 4.49Å; L496-F528 HydrophobicContact CD2-CB 4.47Å; L496-F528 HydrophobicContact CD2-CD1 4.1Å; L496-F528 HydrophobicContact CD2-CD2 4.02Å; L496-F528 HydrophobicContact CD2-CE1 4.31Å; L496-F528 HydrophobicContact CD2-CE2 4.25Å; L496-F528 HydrophobicContact CD2-CG 3.95Å; L496-F528 HydrophobicContact CD2-CZ 4.4Å
497	R	77.3	Confident	74.6	Confident	142 Å²	142	55.3 Å²	55.3	54%	0.536	28%	0.278	S	S	.	.	H	α-helix	trans	-57.8	-46.4	173.5	-75.4	176.5	-180	176.2	1.3	111.2	I493 E494 Q500 D501	I493-R497 WeakPolarHBondContact O-CG 3.43Å; I493-R497 PolarHBondContact O-N 3.28Å; E494-R497 WeakPolarHBondContact O-CB 3.22Å; E494-R497 PolarHBondContact O-N 3.43Å; R497-Q500 WeakPolarHBondContact O-CB 3.49Å; R497-Q500 PolarHBondContact O-N 3.26Å; R497-D501 WeakPolarHBondContact O-CB 3.23Å; R497-D501 VanDerWaalsContact O-CG 3.24Å; R497-D501 PolarHBondContact O-N 2.93Å
498	H	73.8	Confident	75	Confident	74 Å²	74	56.9 Å²	56.9	34%	0.343	29%	0.285	S	S	.	.	H	α-helix	trans	-70	-39.5	178.6	-80.4	-80.4	0	0	0	113.6	F463 W474 E494 A495 L496 Q500 D501 A502	F463-H498 HydrophobicContact CD1-CB 3.94Å; F463-H498 AromaticContact CD1-CD2 3.12Å; F463-H498 WeakPolarHBondContact CD1-CD2 3.29Å; F463-H498 AromaticContact CD1-CE1 3.9Å; F463-H498 AromaticContact CD1-CG 3.37Å; F463-H498 AromaticContact CD1-ND1 3.86Å; F463-H498 AromaticContact CD1-NE2 3.48Å; F463-H498 WeakPolarHBondContact CD1-NE2 3.35Å; F463-H498 HydrophobicContact CE1-CB 3.69Å; F463-H498 AromaticContact CE1-CD2 3.01Å; F463-H498 WeakPolarHBondContact CE1-CD2 3.35Å; F463-H498 AromaticContact CE1-CG 3.43Å; F463-H498 VanDerWaalsContact CE1-CG 3.43Å; F463-H498 AromaticContact CE1-NE2 3.81Å; F463-H498 AromaticContact CG-NE2 3.97Å; F463-H498 AromaticContact CZ-CD2 3.85Å; W474-H498 HydrophobicContact CH2-CB 4.3Å; E494-H498 PolarHBondContact O-CD2 3.22Å; E494-H498 VanDerWaalsContact O-CD2 3.29Å; E494-H498 PolarHBondContact O-N 2.98Å; A495-H498 PolarHBondContact O-N 2.8Å; L496-H498 VanDerWaalsContact C-N 3.33Å; L496-H498 PolarHBondContact O-N 3.27Å; H498-Q500 PolarHBondContact O-N 3.49Å; H498-D501 PolarHBondContact O-N 3.21Å; H498-A502 WeakPolarHBondContact O-CB 3.3Å; H498-A502 PolarHBondContact O-N 2.86Å
499	I	76.5	Confident	75.2	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-58.9	-39.2	173.2	-71	163.2	0	0	0	110.1	W474 L478 A495 L496 Q503 A504 M505 V510	W474-I499 HydrophobicContact CD2-CD1 4.24Å; W474-I499 HydrophobicContact CD2-CG1 3.75Å; W474-I499 HydrophobicContact CE3-CD1 3.68Å; W474-I499 HydrophobicContact CE3-CG1 3.53Å; W474-I499 HydrophobicContact CG-CG1 4.29Å; W474-I499 HydrophobicContact CH2-CG1 4.38Å; W474-I499 HydrophobicContact CZ3-CD1 4.17Å; W474-I499 HydrophobicContact CZ3-CG1 3.87Å; L478-I499 HydrophobicContact CD1-CD1 4.08Å; L478-I499 HydrophobicContact CD2-CD1 3.88Å; L478-I499 HydrophobicContact CG-CD1 4.14Å; A495-I499 WeakPolarHBondContact O-CB 3.12Å; A495-I499 WeakPolarHBondContact O-CD1 3.28Å; A495-I499 VanDerWaalsContact O-CG1 3.22Å; A495-I499 WeakPolarHBondContact O-CG1 3.47Å; A495-I499 PolarHBondContact O-N 2.89Å; L496-I499 PolarHBondContact O-N 2.8Å; I499-Q503 WeakPolarHBondContact O-CA 3.43Å; I499-Q503 PolarHBondContact O-N 3.43Å; I499-A504 PolarHBondContact O-N 2.79Å; I499-M505 HydrophobicContact CD1-CE 3.88Å; I499-M505 HydrophobicContact CG1-CE 4.41Å; I499-M505 HydrophobicContact CG2-CB 4.23Å; I499-M505 HydrophobicContact CG2-CE 4.41Å; I499-V510 HydrophobicContact CG2-CG2 4.02Å
500	Q	76.2	Confident	75.5	Confident	33 Å²	33	55.4 Å²	55.4	15%	0.154	27%	0.274	C	S	.	.	H	α-helix	trans	-70	-45.6	178.3	-172	-166.6	-60.5	0	0	112.5	L496 R497 H498 Q503 F528 I531	L496-Q500 VanDerWaalsContact O-CB 3.25Å; L496-Q500 WeakPolarHBondContact O-CB 3.49Å; L496-Q500 PolarHBondContact O-N 3.06Å; R497-Q500 WeakPolarHBondContact O-CB 3.49Å; R497-Q500 PolarHBondContact O-N 3.26Å; H498-Q500 PolarHBondContact O-N 3.49Å; Q500-Q503 PolarHBondContact O-N 2.8Å; Q500-F528 HydrophobicContact CB-CD2 4.32Å; Q500-F528 HydrophobicContact CB-CE2 4.22Å; Q500-I531 HydrophobicContact CG-CG2 4.47Å
501	D	75.2	Confident	75.6	Confident	122 Å²	122	50.4 Å²	50.4	65%	0.652	25%	0.251	S	S	*	.	H	α-helix	trans	-67.9	-37	179.8	-70.9	-14.7	0	0	0	111.7	R497 H498	R497-D501 WeakPolarHBondContact O-CB 3.23Å; R497-D501 VanDerWaalsContact O-CG 3.24Å; R497-D501 PolarHBondContact O-N 2.93Å; H498-D501 PolarHBondContact O-N 3.21Å
502	A	73	Confident	75.8	Confident	52 Å²	52	53.2 Å²	53.2	43%	0.43	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-6.3	178.6	0	0	0	0	0	114	H498 A504	H498-A502 WeakPolarHBondContact O-CB 3.3Å; H498-A502 PolarHBondContact O-N 2.86Å; A502-A504 HydrophobicContact CB-CB 4.29Å; A502-A504 PolarHBondContact O-N 3.1Å
503	Q	73.7	Confident	75.9	Confident	150 Å²	150	54.1 Å²	54.1	70%	0.701	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	39.4	-171.2	-61.5	-175.1	-15.8	0	0	113	I499 Q500 M505	I499-Q503 WeakPolarHBondContact O-CA 3.43Å; I499-Q503 PolarHBondContact O-N 3.43Å; Q500-Q503 PolarHBondContact O-N 2.8Å; Q503-M505 PolarHBondContact O-N 2.82Å
504	A	70.8	Confident	76	Confident	12 Å²	12	51.9 Å²	51.9	10%	0.099	26%	0.258	C	S	.	.			trans	-75.4	-24.6	-166.8	0	0	0	0	0	114.1	K471 W474 I499 A502	K471-A504 WeakPolarHBondContact CG-O 3.29Å; W474-A504 HydrophobicContact CG-CB 4.38Å; I499-A504 PolarHBondContact O-N 2.79Å; A502-A504 HydrophobicContact CB-CB 4.29Å; A502-A504 PolarHBondContact O-N 3.1Å
505	M	74.3	Confident	75.9	Confident	21 Å²	21	49.9 Å²	49.9	10%	0.103	25%	0.249	C	C	.	.	S	Bend	trans	-140.7	152.5	178.5	-89.4	-172.9	-60.9	0	0	112.4	W474 L478 I499 Q503 M509 V510	W474-M505 HydrophobicContact CB-CE 3.25Å; W474-M505 HydrophobicContact CB-CG 4.44Å; W474-M505 HydrophobicContact CB-SD 4.01Å; W474-M505 HydrophobicContact CG-CE 4.3Å; L478-M505 HydrophobicContact CD1-CE 3.27Å; L478-M505 HydrophobicContact CD1-SD 4.38Å; L478-M505 HydrophobicContact CG-CE 3.98Å; I499-M505 HydrophobicContact CD1-CE 3.88Å; I499-M505 HydrophobicContact CG1-CE 4.41Å; I499-M505 HydrophobicContact CG2-CB 4.23Å; I499-M505 HydrophobicContact CG2-CE 4.41Å; Q503-M505 PolarHBondContact O-N 2.82Å; M505-M509 HydrophobicContact SD-SD 4.41Å; M505-V510 HydrophobicContact CB-CG2 3.81Å; M505-V510 HydrophobicContact CE-CG2 3.87Å
506	E	78.4	Confident	75.9	Confident	135 Å²	135	53.5 Å²	53.5	63%	0.631	27%	0.274	S	S	*	.			trans	-55	125.1	166.4	-93.6	-93.1	150	0	0	109.7	M508 M509 V510	E506-M508 PolarHBondContact O-N 2.85Å; E506-M508 VanDerWaalsContact O-N 3.12Å; E506-M509 HydrophobicContact CB-CB 4.11Å; E506-M509 WeakPolarHBondContact O-CB 2.81Å; E506-M509 PolarHBondContact O-N 3.19Å; E506-V510 PolarHBondContact O-N 2.83Å
507	P	76	Confident	75.7	Confident	47 Å²	47	53.9 Å²	53.9	31%	0.305	28%	0.277	S	S	.	.	H	α-helix	trans	-58	-31.1	-175.9	-23.6	31	0	0	0	114.1	V510 V511 F528 I532	P507-V510 PolarHBondContact O-N 3.32Å; P507-V511 WeakPolarHBondContact O-CG2 3.16Å; P507-V511 PolarHBondContact O-N 3.18Å; P507-V511 VanDerWaalsContact O-N 3.15Å; P507-F528 HydrophobicContact CB-CE1 4.43Å; P507-F528 HydrophobicContact CB-CZ 4.24Å; P507-I532 HydrophobicContact CB-CD1 3.41Å; P507-I532 VanDerWaalsContact CB-CD1 3.41Å; P507-I532 HydrophobicContact CB-CG1 3.65Å; P507-I532 HydrophobicContact CB-CG2 4.17Å; P507-I532 HydrophobicContact CG-CD1 4.45Å; P507-I532 HydrophobicContact CG-CG1 4.22Å
508	M	75.7	Confident	75.4	Confident	47 Å²	47	55.6 Å²	55.6	23%	0.232	29%	0.291	C	S	.	.	H	α-helix	trans	-65.6	-39.6	175.2	-172.4	61.4	151.7	0	0	112.2	E506 V510 V511 Q512 P545	E506-M508 PolarHBondContact O-N 2.85Å; E506-M508 VanDerWaalsContact O-N 3.12Å; M508-V510 VanDerWaalsContact C-N 3.32Å; M508-V510 PolarHBondContact O-N 2.96Å; M508-V511 PolarHBondContact O-N 3.14Å; M508-Q512 WeakPolarHBondContact O-CB 3.15Å; M508-Q512 VanDerWaalsContact O-CG 3.26Å; M508-Q512 WeakPolarHBondContact O-CG 3.44Å; M508-Q512 PolarHBondContact O-N 3.48Å; M508-P545 HydrophobicContact CE-CB 3.72Å; M508-P545 WeakPolarHBondContact CE-O 3.44Å
509	M	77.3	Confident	75.5	Confident	97 Å²	97	56.9 Å²	56.9	48%	0.478	30%	0.297	S	S	.	.	H	α-helix	trans	-64.8	-39.1	178.4	-172	171.9	-76.5	0	0	111	M505 E506 Q512 I513	M505-M509 HydrophobicContact SD-SD 4.41Å; E506-M509 HydrophobicContact CB-CB 4.11Å; E506-M509 WeakPolarHBondContact O-CB 2.81Å; E506-M509 PolarHBondContact O-N 3.19Å; M509-Q512 PolarHBondContact O-N 3.11Å; M509-I513 HydrophobicContact CG-CD1 3.91Å; M509-I513 WeakPolarHBondContact O-CD1 3.45Å; M509-I513 WeakPolarHBondContact O-CG1 3.46Å; M509-I513 PolarHBondContact O-N 3.36Å
510	V	80.2	Confident	75.3	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.7	-48.2	175.9	174.1	0	0	0	0	111.2	L478 L496 I499 M505 E506 P507 M508 Q512 I513 L514 F528	L478-V510 HydrophobicContact CD1-CB 4.08Å; L478-V510 HydrophobicContact CD1-CG1 3.84Å; L478-V510 HydrophobicContact CD1-CG2 3.93Å; L496-V510 HydrophobicContact CD2-CG1 3.27Å; I499-V510 HydrophobicContact CG2-CG2 4.02Å; M505-V510 HydrophobicContact CB-CG2 3.81Å; M505-V510 HydrophobicContact CE-CG2 3.87Å; E506-V510 PolarHBondContact O-N 2.83Å; P507-V510 PolarHBondContact O-N 3.32Å; M508-V510 VanDerWaalsContact C-N 3.32Å; M508-V510 PolarHBondContact O-N 2.96Å; V510-Q512 VanDerWaalsContact C-N 3.34Å; V510-Q512 PolarHBondContact O-N 3.36Å; V510-I513 PolarHBondContact O-N 2.99Å; V510-L514 HydrophobicContact CG1-CD1 4.11Å; V510-L514 PolarHBondContact O-N 3.07Å; V510-F528 HydrophobicContact CB-CE1 3.63Å; V510-F528 HydrophobicContact CB-CZ 3.78Å; V510-F528 HydrophobicContact CG1-CD1 4.04Å; V510-F528 HydrophobicContact CG1-CE1 3.32Å; V510-F528 HydrophobicContact CG1-CE2 4.49Å; V510-F528 HydrophobicContact CG1-CZ 3.62Å; V510-F528 HydrophobicContact CG2-CE1 4.28Å; V510-F528 HydrophobicContact CG2-CZ 3.88Å
511	V	77	Confident	75.2	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-66.6	-36.4	179.6	175.4	0	0	0	0	111.4	P507 M508 G515 F528 T546 Y549 L550	P507-V511 WeakPolarHBondContact O-CG2 3.16Å; P507-V511 PolarHBondContact O-N 3.18Å; P507-V511 VanDerWaalsContact O-N 3.15Å; M508-V511 PolarHBondContact O-N 3.14Å; V511-G515 WeakPolarHBondContact O-CA 3.25Å; V511-G515 PolarHBondContact O-N 3.38Å; V511-F528 HydrophobicContact CG2-CD1 4.39Å; V511-F528 HydrophobicContact CG2-CE1 4.21Å; V511-T546 HydrophobicContact CG1-CG2 4.46Å; V511-T546 HydrophobicContact CG2-CG2 4.14Å; V511-Y549 HydrophobicContact CG1-CD1 3.73Å; V511-Y549 HydrophobicContact CG1-CE1 4.05Å; V511-L550 HydrophobicContact CG1-CD2 4.32Å
512	Q	75.9	Confident	75	Confident	88 Å²	88	53.6 Å²	53.6	41%	0.411	28%	0.283	S	S	.	.	H	α-helix	trans	-64.2	-46.1	174.9	-77.9	175.8	-16.8	0	0	112.3	M508 M509 V510 G515 S516 Y549	M508-Q512 WeakPolarHBondContact O-CB 3.15Å; M508-Q512 VanDerWaalsContact O-CG 3.26Å; M508-Q512 WeakPolarHBondContact O-CG 3.44Å; M508-Q512 PolarHBondContact O-N 3.48Å; M509-Q512 PolarHBondContact O-N 3.11Å; V510-Q512 VanDerWaalsContact C-N 3.34Å; V510-Q512 PolarHBondContact O-N 3.36Å; Q512-G515 PolarHBondContact O-N 2.87Å; Q512-S516 PolarHBondContact O-N 3.34Å; Q512-Y549 HydrophobicContact CG-CD2 4.26Å; Q512-Y549 HydrophobicContact CG-CE2 3.81Å; Q512-Y549 PolarHBondContact O-OH 3.03Å
513	I	77.6	Confident	74.9	Confident	19 Å²	19	53.3 Å²	53.3	10%	0.097	28%	0.277	C	S	.	.	H	α-helix	trans	-67.5	-45.6	-179.2	-66	164.3	0	0	0	111.2	L478 K479 A482 M509 V510 G515 S516	L478-I513 VanDerWaalsContact C-CG2 3.42Å; L478-I513 HydrophobicContact CB-CB 4.27Å; L478-I513 HydrophobicContact CB-CG2 3.52Å; L478-I513 HydrophobicContact CD1-CD1 4.49Å; K479-I513 HydrophobicContact CB-CG2 4.3Å; K479-I513 HydrophobicContact CG-CG2 3.71Å; A482-I513 VanDerWaalsContact CB-O 3.31Å; A482-I513 WeakPolarHBondContact CB-O 3.31Å; M509-I513 HydrophobicContact CG-CD1 3.91Å; M509-I513 WeakPolarHBondContact O-CD1 3.45Å; M509-I513 WeakPolarHBondContact O-CG1 3.46Å; M509-I513 PolarHBondContact O-N 3.36Å; V510-I513 PolarHBondContact O-N 2.99Å; I513-G515 VanDerWaalsContact C-N 3.33Å; I513-S516 PolarHBondContact O-OG 2.87Å
514	L	78.3	Confident	74.9	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-73.7	-29.4	179.4	-66.4	179.1	0	0	0	112	L478 F481 V492 L496 V510 S516 S517 L520 I525	L478-L514 HydrophobicContact CB-CD2 4.33Å; L478-L514 HydrophobicContact CD2-CD1 4.25Å; L478-L514 HydrophobicContact CD2-CD2 4.04Å; L478-L514 HydrophobicContact CD2-CG 4.3Å; F481-L514 HydrophobicContact CB-CD2 4.41Å; V492-L514 HydrophobicContact CG1-CD1 4.01Å; V492-L514 HydrophobicContact CG1-CD2 4.3Å; L496-L514 HydrophobicContact CD1-CD1 3.99Å; L496-L514 HydrophobicContact CD2-CD1 3.82Å; L496-L514 HydrophobicContact CG-CD1 4.25Å; V510-L514 HydrophobicContact CG1-CD1 4.11Å; V510-L514 PolarHBondContact O-N 3.07Å; L514-S516 VanDerWaalsContact C-N 3.25Å; L514-S516 PolarHBondContact O-N 2.84Å; L514-S517 WeakPolarHBondContact O-CB 3.41Å; L514-S517 PolarHBondContact O-N 3.45Å; L514-S517 VanDerWaalsContact O-N 3.09Å; L514-L520 HydrophobicContact CB-CD1 4.5Å; L514-L520 HydrophobicContact CD2-CD1 3.67Å; L514-I525 HydrophobicContact CB-CG2 4.2Å; L514-I525 HydrophobicContact CD1-CG2 3.6Å
515	G	72	Confident	75	Confident	2 Å²	2	45.8 Å²	45.8	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-71.2	-13.2	177	0	0	0	0	0	115.2	V511 Q512 I513 S517 F555	V511-G515 WeakPolarHBondContact O-CA 3.25Å; V511-G515 PolarHBondContact O-N 3.38Å; Q512-G515 PolarHBondContact O-N 2.87Å; I513-G515 VanDerWaalsContact C-N 3.33Å; G515-S517 VanDerWaalsContact C-N 3.26Å; G515-F555 VanDerWaalsContact CA-CE2 3.42Å
516	S	76	Confident	74.9	Confident	76 Å²	76	49.8 Å²	49.8	53%	0.531	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-8.6	168.6	63.7	0	0	0	0	113.3	Q512 I513 L514	Q512-S516 PolarHBondContact O-N 3.34Å; I513-S516 PolarHBondContact O-OG 2.87Å; L514-S516 VanDerWaalsContact C-N 3.25Å; L514-S516 PolarHBondContact O-N 2.84Å
517	S	74.3	Confident	74.6	Confident	11 Å²	11	46.4 Å²	46.4	8%	0.077	24%	0.243	C	C	.	.			trans	-70.3	142.1	178.6	-169.9	0	0	0	0	112.1	A482 L514 G515 H519 L520	A482-S517 WeakPolarHBondContact O-CA 3.46Å; A482-S517 VanDerWaalsContact O-CB 3.23Å; A482-S517 WeakPolarHBondContact O-CB 3.43Å; A482-S517 PolarHBondContact O-OG 2.64Å; L514-S517 WeakPolarHBondContact O-CB 3.41Å; L514-S517 PolarHBondContact O-N 3.45Å; L514-S517 VanDerWaalsContact O-N 3.09Å; G515-S517 VanDerWaalsContact C-N 3.26Å; S517-H519 PolarHBondContact OG-N 2.79Å; S517-H519 VanDerWaalsContact OG-N 3.13Å; S517-L520 PolarHBondContact OG-N 2.77Å
518	Q	72.1	Confident	74.6	Confident	178 Å²	178	44.6 Å²	44.6	83%	0.832	23%	0.23	S	C	*	.	S	Bend	trans	-95.7	-1.1	168.8	-62.3	-175.7	6.3	0	0	112.8
519	H	74.2	Confident	74.3	Confident	102 Å²	102	42.3 Å²	42.3	47%	0.472	22%	0.219	S	C	.	.	S	Bend	trans	-122.3	-24	-168.4	-54.7	-50	0	0	0	114.1	P485 S517	P485-H519 HydrophobicContact CB-CB 4.41Å; S517-H519 PolarHBondContact OG-N 2.79Å; S517-H519 VanDerWaalsContact OG-N 3.13Å
520	L	73.1	Confident	74	Confident	24 Å²	24	41 Å²	41	13%	0.126	21%	0.213	C	C	.	.			trans	-82.1	132.9	179.2	-64	173.9	0	0	0	111.3	V492 L514 S517	V492-L520 HydrophobicContact CG2-CD2 3.85Å; L514-L520 HydrophobicContact CB-CD1 4.5Å; L514-L520 HydrophobicContact CD2-CD1 3.67Å; S517-L520 PolarHBondContact OG-N 2.77Å
521	T	73.1	Confident	73.5	Confident	59 Å²	59	43.4 Å²	43.4	36%	0.362	23%	0.226	S	C	.	.			trans	-77.6	155.8	173.8	63.1	0	0	0	0	111.6	E489 S523 C524	E489-T521 VanDerWaalsContact CD-OG1 3.27Å; E489-T521 VanDerWaalsContact OE1-CB 3.32Å; E489-T521 WeakPolarHBondContact OE1-CB 3.27Å; E489-T521 WeakPolarHBondContact OE1-CG2 3.44Å; E489-T521 PolarHBondContact OE1-OG1 2.91Å; E489-T521 PolarHBondContact OE2-OG1 2.78Å; T521-S523 PolarHBondContact O-N 3.26Å; T521-C524 VanDerWaalsContact O-CB 3.32Å; T521-C524 WeakPolarHBondContact O-CB 3.4Å; T521-C524 PolarHBondContact O-N 2.72Å; T521-C524 PolarHBondContact OG1-SG 2.92Å
522	F	72.1	Confident	73.2	Confident	5 Å²	5	44 Å²	44	2%	0.022	23%	0.229	C	C	.	.	H	α-helix	trans	-58.7	-29.3	170.9	-176.9	-102	0	0	0	112	C524 I525 R526 L550 F555 D560 V561 T564	F522-C524 PolarHBondContact O-N 2.96Å; F522-C524 VanDerWaalsContact O-N 3.13Å; F522-I525 HydrophobicContact CD2-CD1 3.74Å; F522-I525 HydrophobicContact CD2-CG1 3.87Å; F522-I525 HydrophobicContact CE2-CD1 4.04Å; F522-I525 HydrophobicContact CE2-CG1 4.26Å; F522-I525 HydrophobicContact CG-CG1 4.38Å; F522-I525 VanDerWaalsContact O-CG1 3.26Å; F522-I525 WeakPolarHBondContact O-CG1 3.49Å; F522-I525 PolarHBondContact O-N 3.41Å; F522-R526 HydrophobicContact CD1-CB 4.16Å; F522-R526 HydrophobicContact CD1-CG 4.42Å; F522-R526 HydrophobicContact CE1-CB 4.01Å; F522-R526 HydrophobicContact CE1-CG 3.96Å; F522-R526 PolarHBondContact O-N 2.91Å; F522-L550 HydrophobicContact CD2-CD2 4.25Å; F522-L550 HydrophobicContact CE2-CD1 4.02Å; F522-L550 HydrophobicContact CE2-CD2 3.71Å; F522-L550 HydrophobicContact CE2-CG 4.47Å; F522-L550 HydrophobicContact CZ-CD1 4.46Å; F522-F555 HydrophobicContact CB-CD1 3.75Å; F522-F555 HydrophobicContact CB-CE1 4.36Å; F522-F555 HydrophobicContact CD2-CB 3.97Å; F522-F555 AromaticContact CD2-CD1 3.8Å; F522-F555 HydrophobicContact CD2-CD1 3.8Å; F522-F555 HydrophobicContact CD2-CE1 4.43Å; F522-F555 AromaticContact CD2-CG 3.88Å; F522-F555 HydrophobicContact CD2-CG 3.88Å; F522-F555 HydrophobicContact CG-CD1 4.28Å; F522-D560 HydrophobicContact CD1-CB 4Å; F522-V561 HydrophobicContact CB-CG2 3.67Å; F522-V561 HydrophobicContact CD1-CG2 3.61Å; F522-V561 HydrophobicContact CD2-CG2 3.58Å; F522-V561 HydrophobicContact CE1-CG2 4.05Å; F522-V561 HydrophobicContact CE2-CG1 4.38Å; F522-V561 HydrophobicContact CE2-CG2 4.05Å; F522-V561 HydrophobicContact CG-CG2 3.33Å; F522-V561 HydrophobicContact CZ-CG1 4.47Å; F522-V561 HydrophobicContact CZ-CG2 4.25Å; F522-T564 HydrophobicContact CE1-CG2 4.27Å; F522-T564 HydrophobicContact CZ-CG2 4.24Å
523	S	71.4	Confident	72.7	Confident	46 Å²	46	40.3 Å²	40.3	32%	0.322	21%	0.212	S	C	.	.	H	α-helix	trans	-55.7	-31.8	179	-42.7	0	0	0	0	112	T521 D560	T521-S523 PolarHBondContact O-N 3.26Å; S523-D560 PolarHBondContact OG-OD2 2.85Å
524	C	72.9	Confident	72.2	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.014	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-43.6	175.2	-61.1	0	0	0	0	113.5	E489 V492 T521 F522	E489-C524 WeakPolarHBondContact CB-SG 3.32Å; E489-C524 WeakPolarHBondContact CG-SG 3.25Å; E489-C524 PolarHBondContact OE1-SG 2.9Å; V492-C524 HydrophobicContact CG1-CB 4.41Å; T521-C524 VanDerWaalsContact O-CB 3.32Å; T521-C524 WeakPolarHBondContact O-CB 3.4Å; T521-C524 PolarHBondContact O-N 2.72Å; T521-C524 PolarHBondContact OG1-SG 2.92Å; F522-C524 PolarHBondContact O-N 2.96Å; F522-C524 VanDerWaalsContact O-N 3.13Å
525	I	73.6	Confident	71.6	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-93.5	-12.9	-177	54.3	165.5	0	0	0	112.4	L496 L514 F522 V527 F528 T529 L550 F555	L496-I525 HydrophobicContact CD1-CG2 3.96Å; L514-I525 HydrophobicContact CB-CG2 4.2Å; L514-I525 HydrophobicContact CD1-CG2 3.6Å; F522-I525 HydrophobicContact CD2-CD1 3.74Å; F522-I525 HydrophobicContact CD2-CG1 3.87Å; F522-I525 HydrophobicContact CE2-CD1 4.04Å; F522-I525 HydrophobicContact CE2-CG1 4.26Å; F522-I525 HydrophobicContact CG-CG1 4.38Å; F522-I525 VanDerWaalsContact O-CG1 3.26Å; F522-I525 WeakPolarHBondContact O-CG1 3.49Å; F522-I525 PolarHBondContact O-N 3.41Å; I525-V527 VanDerWaalsContact C-N 3.32Å; I525-V527 PolarHBondContact O-N 2.9Å; I525-F528 WeakPolarHBondContact O-CB 3.49Å; I525-F528 PolarHBondContact O-N 2.56Å; I525-T529 WeakPolarHBondContact O-CB 3.24Å; I525-T529 PolarHBondContact O-N 3.35Å; I525-T529 PolarHBondContact O-OG1 2.81Å; I525-L550 HydrophobicContact CD1-CD2 4.33Å; I525-F555 HydrophobicContact CD1-CD1 4.19Å; I525-F555 HydrophobicContact CD1-CD2 4.12Å; I525-F555 HydrophobicContact CD1-CE1 3.63Å; I525-F555 HydrophobicContact CD1-CE2 3.53Å; I525-F555 HydrophobicContact CD1-CG 4.41Å; I525-F555 HydrophobicContact CD1-CZ 3.27Å; I525-F555 HydrophobicContact CG1-CE1 4.24Å; I525-F555 HydrophobicContact CG1-CZ 4.23Å
526	R	72.1	Confident	71.1	Confident	104 Å²	104	55.9 Å²	55.9	39%	0.392	28%	0.281	S	S	.	.	H	α-helix	trans	-49.8	-48.2	-174.8	-173.8	178.5	70.7	107.4	-0.4	113.2	F522 T529 L530	F522-R526 HydrophobicContact CD1-CB 4.16Å; F522-R526 HydrophobicContact CD1-CG 4.42Å; F522-R526 HydrophobicContact CE1-CB 4.01Å; F522-R526 HydrophobicContact CE1-CG 3.96Å; F522-R526 PolarHBondContact O-N 2.91Å; R526-T529 PolarHBondContact O-N 3.15Å; R526-L530 HydrophobicContact CG-CD1 4.09Å; R526-L530 WeakPolarHBondContact O-CB 3.46Å; R526-L530 VanDerWaalsContact O-CG 3.23Å; R526-L530 WeakPolarHBondContact O-CG 3.05Å; R526-L530 PolarHBondContact O-N 2.88Å
527	V	72.2	Confident	70	Confident	64 Å²	64	58 Å²	58	39%	0.388	29%	0.291	S	S	.	.	H	α-helix	trans	-65.6	-44.7	-179.5	176.9	0	0	0	0	111	I525 L530 I531	I525-V527 VanDerWaalsContact C-N 3.32Å; I525-V527 PolarHBondContact O-N 2.9Å; V527-L530 PolarHBondContact O-N 3.23Å; V527-I531 HydrophobicContact CG1-CD1 3.85Å; V527-I531 WeakPolarHBondContact O-CD1 3.4Å; V527-I531 VanDerWaalsContact O-CG1 3.28Å; V527-I531 WeakPolarHBondContact O-CG1 3.01Å; V527-I531 PolarHBondContact O-N 3.35Å; V527-I531 VanDerWaalsContact O-N 3.12Å
528	F	74.6	Confident	69	Low	9 Å²	9	62.3 Å²	62.3	4%	0.039	32%	0.316	C	S	.	.	H	α-helix	trans	-61.4	-47.1	177.4	-178.4	-104.8	0	0	0	111.2	L496 Q500 P507 V510 V511 I525 I531 I532	L496-F528 HydrophobicContact CB-CB 4.32Å; L496-F528 HydrophobicContact CB-CD2 4.14Å; L496-F528 HydrophobicContact CB-CG 4.38Å; L496-F528 HydrophobicContact CD1-CB 4.14Å; L496-F528 HydrophobicContact CD1-CG 4.49Å; L496-F528 HydrophobicContact CD2-CB 4.47Å; L496-F528 HydrophobicContact CD2-CD1 4.1Å; L496-F528 HydrophobicContact CD2-CD2 4.02Å; L496-F528 HydrophobicContact CD2-CE1 4.31Å; L496-F528 HydrophobicContact CD2-CE2 4.25Å; L496-F528 HydrophobicContact CD2-CG 3.95Å; L496-F528 HydrophobicContact CD2-CZ 4.4Å; Q500-F528 HydrophobicContact CB-CD2 4.32Å; Q500-F528 HydrophobicContact CB-CE2 4.22Å; P507-F528 HydrophobicContact CB-CE1 4.43Å; P507-F528 HydrophobicContact CB-CZ 4.24Å; V510-F528 HydrophobicContact CB-CE1 3.63Å; V510-F528 HydrophobicContact CB-CZ 3.78Å; V510-F528 HydrophobicContact CG1-CD1 4.04Å; V510-F528 HydrophobicContact CG1-CE1 3.32Å; V510-F528 HydrophobicContact CG1-CE2 4.49Å; V510-F528 HydrophobicContact CG1-CZ 3.62Å; V510-F528 HydrophobicContact CG2-CE1 4.28Å; V510-F528 HydrophobicContact CG2-CZ 3.88Å; V511-F528 HydrophobicContact CG2-CD1 4.39Å; V511-F528 HydrophobicContact CG2-CE1 4.21Å; I525-F528 WeakPolarHBondContact O-CB 3.49Å; I525-F528 PolarHBondContact O-N 2.56Å; F528-I531 PolarHBondContact O-N 2.81Å; F528-I532 HydrophobicContact CD1-CD1 3.5Å; F528-I532 HydrophobicContact CE1-CD1 3.33Å; F528-I532 HydrophobicContact CE1-CG1 4.5Å; F528-I532 HydrophobicContact CE2-CD1 4.45Å; F528-I532 HydrophobicContact CG-CD1 4.16Å; F528-I532 HydrophobicContact CZ-CD1 3.84Å; F528-I532 WeakPolarHBondContact O-CD1 3.42Å; F528-I532 VanDerWaalsContact O-CG1 3.27Å; F528-I532 WeakPolarHBondContact O-CG1 3.44Å; F528-I532 PolarHBondContact O-N 2.81Å; F528-I532 VanDerWaalsContact O-N 3.1Å
529	T	70.4	Confident	67.8	Low	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-61.4	-45.9	176.9	-50.8	0	0	0	0	112	I525 R526 I531 I532 M533 T546 L550	I525-T529 WeakPolarHBondContact O-CB 3.24Å; I525-T529 PolarHBondContact O-N 3.35Å; I525-T529 PolarHBondContact O-OG1 2.81Å; R526-T529 PolarHBondContact O-N 3.15Å; T529-I531 VanDerWaalsContact C-N 3.29Å; T529-I531 PolarHBondContact O-N 3.33Å; T529-I532 PolarHBondContact O-N 2.88Å; T529-M533 HydrophobicContact CG2-CG 4.35Å; T529-M533 HydrophobicContact CG2-SD 3.56Å; T529-M533 VanDerWaalsContact CG2-SD 3.56Å; T529-M533 WeakPolarHBondContact O-CB 3.39Å; T529-M533 WeakPolarHBondContact O-CG 3.28Å; T529-M533 PolarHBondContact O-N 2.74Å; T529-T546 HydrophobicContact CG2-CG2 4.31Å; T529-L550 HydrophobicContact CG2-CD1 3.47Å; T529-L550 VanDerWaalsContact CG2-CD1 3.47Å
530	L	70.4	Confident	66.3	Low	68 Å²	68	60.4 Å²	60.4	36%	0.356	32%	0.323	S	S	.	.	H	α-helix	trans	-58.4	-41.1	177.5	-79.5	170.8	0	0	0	112	R526 V527 M533 D534 T564	R526-L530 HydrophobicContact CG-CD1 4.09Å; R526-L530 WeakPolarHBondContact O-CB 3.46Å; R526-L530 VanDerWaalsContact O-CG 3.23Å; R526-L530 WeakPolarHBondContact O-CG 3.05Å; R526-L530 PolarHBondContact O-N 2.88Å; V527-L530 PolarHBondContact O-N 3.23Å; L530-M533 PolarHBondContact O-N 2.74Å; L530-D534 WeakPolarHBondContact O-CB 3.42Å; L530-D534 PolarHBondContact O-N 3.25Å; L530-T564 HydrophobicContact CD2-CG2 3.83Å; L530-T564 HydrophobicContact CG-CG2 4.25Å
531	I	71.3	Confident	65.2	Low	51 Å²	51	66.2 Å²	66.2	26%	0.262	36%	0.359	S	S	.	.	H	α-helix	trans	-70.3	-35.8	-179.9	-66.6	164.8	0	0	0	111.5	Q500 V527 F528 T529 D534 R535	Q500-I531 HydrophobicContact CG-CG2 4.47Å; V527-I531 HydrophobicContact CG1-CD1 3.85Å; V527-I531 WeakPolarHBondContact O-CD1 3.4Å; V527-I531 VanDerWaalsContact O-CG1 3.28Å; V527-I531 WeakPolarHBondContact O-CG1 3.01Å; V527-I531 PolarHBondContact O-N 3.35Å; V527-I531 VanDerWaalsContact O-N 3.12Å; F528-I531 PolarHBondContact O-N 2.81Å; T529-I531 VanDerWaalsContact C-N 3.29Å; T529-I531 PolarHBondContact O-N 3.33Å; I531-D534 PolarHBondContact O-N 3.49Å; I531-R535 WeakPolarHBondContact O-CG 3.37Å; I531-R535 PolarHBondContact O-N 2.8Å; I531-R535 VanDerWaalsContact O-N 3.13Å
532	I	69.8	Low	64.4	Low	13 Å²	13	69 Å²	69	7%	0.067	38%	0.376	C	S	.	.	H	α-helix	trans	-64.8	-44.2	173.2	-64.3	156.5	0	0	0	110.5	P507 F528 T529 D534 R535 Q536	P507-I532 HydrophobicContact CB-CD1 3.41Å; P507-I532 VanDerWaalsContact CB-CD1 3.41Å; P507-I532 HydrophobicContact CB-CG1 3.65Å; P507-I532 HydrophobicContact CB-CG2 4.17Å; P507-I532 HydrophobicContact CG-CD1 4.45Å; P507-I532 HydrophobicContact CG-CG1 4.22Å; F528-I532 HydrophobicContact CD1-CD1 3.5Å; F528-I532 HydrophobicContact CE1-CD1 3.33Å; F528-I532 HydrophobicContact CE1-CG1 4.5Å; F528-I532 HydrophobicContact CE2-CD1 4.45Å; F528-I532 HydrophobicContact CG-CD1 4.16Å; F528-I532 HydrophobicContact CZ-CD1 3.84Å; F528-I532 WeakPolarHBondContact O-CD1 3.42Å; F528-I532 VanDerWaalsContact O-CG1 3.27Å; F528-I532 WeakPolarHBondContact O-CG1 3.44Å; F528-I532 PolarHBondContact O-N 2.81Å; F528-I532 VanDerWaalsContact O-N 3.1Å; T529-I532 PolarHBondContact O-N 2.88Å; I532-D534 VanDerWaalsContact C-N 3.29Å; I532-D534 PolarHBondContact O-N 2.8Å; I532-R535 PolarHBondContact O-N 3.22Å; I532-Q536 WeakPolarHBondContact O-CG 3.4Å; I532-Q536 PolarHBondContact O-N 2.89Å
533	M	65.4	Low	63.6	Low	11 Å²	11	73.3 Å²	73.3	5%	0.054	40%	0.398	C	S	.	.	H	α-helix	trans	-65.7	-32.2	179.5	-69.9	167.6	76	0	0	112.1	T529 L530 V547 Y568	T529-M533 HydrophobicContact CG2-CG 4.35Å; T529-M533 HydrophobicContact CG2-SD 3.56Å; T529-M533 VanDerWaalsContact CG2-SD 3.56Å; T529-M533 WeakPolarHBondContact O-CB 3.39Å; T529-M533 WeakPolarHBondContact O-CG 3.28Å; T529-M533 PolarHBondContact O-N 2.74Å; L530-M533 PolarHBondContact O-N 2.74Å; M533-V547 HydrophobicContact CE-CG2 3.77Å; M533-V547 HydrophobicContact CG-CG2 4.49Å; M533-V547 HydrophobicContact SD-CG2 4.36Å; M533-Y568 HydrophobicContact CB-CD2 3.95Å; M533-Y568 HydrophobicContact CB-CE2 3.81Å; M533-Y568 HydrophobicContact CE-CD1 3.66Å; M533-Y568 HydrophobicContact CE-CD2 3.08Å; M533-Y568 HydrophobicContact CE-CE1 4.22Å; M533-Y568 HydrophobicContact CE-CE2 3.7Å; M533-Y568 HydrophobicContact CE-CG 3.02Å; M533-Y568 HydrophobicContact CG-CD2 4.29Å; M533-Y568 HydrophobicContact CG-CE2 4.15Å; M533-Y568 HydrophobicContact SD-CD2 4.46Å
534	D	67.5	Low	63.2	Low	120 Å²	120	71.4 Å²	71.4	64%	0.642	38%	0.384	S	S	*	.	H	α-helix	trans	-74.6	-30.6	175.6	-152.7	53.5	0	0	0	112.5	L530 I531 I532	L530-D534 WeakPolarHBondContact O-CB 3.42Å; L530-D534 PolarHBondContact O-N 3.25Å; I531-D534 PolarHBondContact O-N 3.49Å; I532-D534 VanDerWaalsContact C-N 3.29Å; I532-D534 PolarHBondContact O-N 2.8Å
535	R	66	Low	62.9	Low	151 Å²	151	75 Å²	75	57%	0.57	41%	0.408	S	S	*	.	H	α-helix	trans	-79.4	-26.6	175.9	-73.8	-178.7	178.3	176.6	2	113.7	I531 I532 T537	I531-R535 WeakPolarHBondContact O-CG 3.37Å; I531-R535 PolarHBondContact O-N 2.8Å; I531-R535 VanDerWaalsContact O-N 3.13Å; I532-R535 PolarHBondContact O-N 3.22Å; R535-T537 PolarHBondContact O-N 2.54Å
536	Q	60.5	Low	62.4	Low	78 Å²	78	75 Å²	75	36%	0.364	41%	0.408	S	S	.	.	S	Bend	trans	-85.2	86.3	175.8	-70.9	-177.7	-12.9	0	0	108.8	I532 V538 S544	I532-Q536 WeakPolarHBondContact O-CG 3.4Å; I532-Q536 PolarHBondContact O-N 2.89Å; Q536-V538 PolarHBondContact O-N 2.71Å; Q536-S544 VanDerWaalsContact OE1-CB 3.26Å; Q536-S544 PolarHBondContact OE1-OG 3.1Å
537	T	52.5	Low	62.1	Low	121 Å²	121	70 Å²	70	74%	0.742	39%	0.389	S	S	*	.			trans	-53.6	122.8	174.3	37.3	0	0	0	0	110.3	R535 S539	R535-T537 PolarHBondContact O-N 2.54Å; T537-S539 VanDerWaalsContact C-N 3.35Å; T537-S539 PolarHBondContact O-N 3.46Å
538	V	53	Low	61.8	Low	100 Å²	100	72.2 Å²	72.2	61%	0.606	40%	0.395	S	S	*	.			trans	-60.5	96.1	174.8	-179.4	0	0	0	0	107.4	Q536	Q536-V538 PolarHBondContact O-N 2.71Å
539	S	47.3	Very low	61.5	Low	94 Å²	94	73.3 Å²	73.3	66%	0.657	40%	0.399	S	S	*	.			trans	-104.5	121.6	161.9	42.8	0	0	0	0	106.6	T537	T537-S539 VanDerWaalsContact C-N 3.35Å; T537-S539 PolarHBondContact O-N 3.46Å
540	D	43.2	Very low	61.3	Low	146 Å²	146	73.4 Å²	73.4	78%	0.781	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	2.1	115.8	176.1	-60.7	-33.7	0	0	0	117.4	V542	D540-V542 PolarHBondContact O-N 2.86Å
541	V	51.1	Low	60.9	Low	146 Å²	146	72.8 Å²	72.8	89%	0.885	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	-4.3	154.7	-170.2	0	0	0	0	117.4
542	V	54.5	Low	60.5	Low	118 Å²	118	77.5 Å²	77.5	72%	0.715	42%	0.419	S	S	*	.			trans	-105.5	108.3	179.4	-170.3	0	0	0	0	112.4	D540 S544	D540-V542 PolarHBondContact O-N 2.86Å; V542-S544 PolarHBondContact O-N 2.78Å
543	I	56.5	Low	60.1	Low	95 Å²	95	80.1 Å²	80.1	49%	0.487	43%	0.431	S	S	.	.			trans	-59.2	125	168.6	-58.8	177.2	0	0	0	108.2	V547	I543-V547 HydrophobicContact CG2-CB 3.73Å; I543-V547 HydrophobicContact CG2-CG1 3.57Å
544	S	62.9	Low	59.6	Low	6 Å²	6	83.7 Å²	83.7	4%	0.042	46%	0.457	C	S	.	.			trans	-48.3	132.5	174.8	167.9	0	0	0	0	110.8	Q536 V542 T546 V547 H548	Q536-S544 VanDerWaalsContact OE1-CB 3.26Å; Q536-S544 PolarHBondContact OE1-OG 3.1Å; V542-S544 PolarHBondContact O-N 2.78Å; S544-T546 PolarHBondContact O-N 2.97Å; S544-T546 VanDerWaalsContact O-N 3.07Å; S544-T546 WeakPolarHBondContact OG-CB 3.45Å; S544-T546 PolarHBondContact OG-N 2.79Å; S544-V547 WeakPolarHBondContact O-CA 3.27Å; S544-V547 WeakPolarHBondContact O-CB 3.44Å; S544-V547 PolarHBondContact O-N 3.38Å; S544-H548 PolarHBondContact O-N 2.84Å
545	P	66.2	Low	59.1	Low	77 Å²	77	78.8 Å²	78.8	50%	0.5	43%	0.43	S	S	.	.	H	α-helix	trans	-52	-32.5	175.1	-27.9	34.7	0	0	0	113	M508 H548 Y549	M508-P545 HydrophobicContact CE-CB 3.72Å; M508-P545 WeakPolarHBondContact CE-O 3.44Å; P545-H548 PolarHBondContact O-N 3.2Å; P545-Y549 WeakPolarHBondContact O-CB 3.28Å; P545-Y549 PolarHBondContact O-N 2.9Å
546	T	64.3	Low	58.4	Low	3 Å²	3	76.1 Å²	76.1	2%	0.018	42%	0.424	C	S	.	.	H	α-helix	trans	-64	-43.6	174.4	-47.1	0	0	0	0	111.4	V511 T529 S544 Y549 L550	V511-T546 HydrophobicContact CG1-CG2 4.46Å; V511-T546 HydrophobicContact CG2-CG2 4.14Å; T529-T546 HydrophobicContact CG2-CG2 4.31Å; S544-T546 PolarHBondContact O-N 2.97Å; S544-T546 VanDerWaalsContact O-N 3.07Å; S544-T546 WeakPolarHBondContact OG-CB 3.45Å; S544-T546 PolarHBondContact OG-N 2.79Å; T546-Y549 PolarHBondContact O-N 3.32Å; T546-L550 HydrophobicContact CG2-CD1 4.39Å; T546-L550 WeakPolarHBondContact O-CB 3.43Å; T546-L550 VanDerWaalsContact O-CG 3.27Å; T546-L550 WeakPolarHBondContact O-CG 3.25Å; T546-L550 PolarHBondContact O-N 2.95Å
547	V	64	Low	58	Low	0 Å²	0	81.5 Å²	81.5	0%	0	45%	0.449	C	S	.	.	H	α-helix	trans	-66.5	-42.5	175.9	174.2	0	0	0	0	110.3	M533 I543 S544 Y549 L550 C551 L565 Y568 F569	M533-V547 HydrophobicContact CE-CG2 3.77Å; M533-V547 HydrophobicContact CG-CG2 4.49Å; M533-V547 HydrophobicContact SD-CG2 4.36Å; I543-V547 HydrophobicContact CG2-CB 3.73Å; I543-V547 HydrophobicContact CG2-CG1 3.57Å; S544-V547 WeakPolarHBondContact O-CA 3.27Å; S544-V547 WeakPolarHBondContact O-CB 3.44Å; S544-V547 PolarHBondContact O-N 3.38Å; V547-Y549 VanDerWaalsContact C-N 3.33Å; V547-Y549 PolarHBondContact O-N 3.1Å; V547-L550 PolarHBondContact O-N 3.15Å; V547-C551 WeakPolarHBondContact O-CB 3.24Å; V547-C551 PolarHBondContact O-N 2.8Å; V547-C551 PolarHBondContact O-SG 3Å; V547-L565 HydrophobicContact CG1-CD2 3.79Å; V547-Y568 HydrophobicContact CG2-CD1 4.12Å; V547-Y568 HydrophobicContact CG2-CE1 3.8Å; V547-F569 HydrophobicContact CG1-CZ 4.24Å
548	H	66.7	Low	58.3	Low	109 Å²	109	77.3 Å²	77.3	51%	0.505	42%	0.424	S	S	.	.	H	α-helix	trans	-60.9	-40.5	174.6	-172.2	80.6	0	0	0	112.4	S544 P545 C551 K552	S544-H548 PolarHBondContact O-N 2.84Å; P545-H548 PolarHBondContact O-N 3.2Å; H548-C551 CarbonylContact O-C 3.54Å; H548-C551 WeakPolarHBondContact O-CB 3.37Å; H548-C551 PolarHBondContact O-N 2.88Å; H548-K552 WeakPolarHBondContact O-CB 3.24Å; H548-K552 PolarHBondContact O-N 2.61Å; H548-K552 VanDerWaalsContact O-N 3.16Å
549	Y	67.3	Low	58.6	Low	32 Å²	32	79.7 Å²	79.7	13%	0.125	43%	0.434	C	S	.	.	H	α-helix	trans	-66.4	-47.1	176.8	-173.5	-92.7	0	0	0	111.9	V511 Q512 P545 T546 V547 C551 K552 H553	V511-Y549 HydrophobicContact CG1-CD1 3.73Å; V511-Y549 HydrophobicContact CG1-CE1 4.05Å; Q512-Y549 HydrophobicContact CG-CD2 4.26Å; Q512-Y549 HydrophobicContact CG-CE2 3.81Å; Q512-Y549 PolarHBondContact O-OH 3.03Å; P545-Y549 WeakPolarHBondContact O-CB 3.28Å; P545-Y549 PolarHBondContact O-N 2.9Å; T546-Y549 PolarHBondContact O-N 3.32Å; V547-Y549 VanDerWaalsContact C-N 3.33Å; V547-Y549 PolarHBondContact O-N 3.1Å; Y549-C551 PolarHBondContact O-N 3.02Å; Y549-K552 PolarHBondContact O-N 3.37Å; Y549-H553 HydrophobicContact CD1-CB 4.46Å; Y549-H553 AromaticContact CD2-CD2 3.33Å; Y549-H553 WeakPolarHBondContact CD2-CD2 3.26Å; Y549-H553 AromaticContact CD2-NE2 3.68Å; Y549-H553 HydrophobicContact CE1-CB 4.12Å; Y549-H553 AromaticContact CE1-CD2 3.98Å; Y549-H553 AromaticContact CE2-CD2 3.19Å; Y549-H553 WeakPolarHBondContact CE2-CD2 3.25Å; Y549-H553 AromaticContact CE2-CG 3.89Å; Y549-H553 AromaticContact CE2-NE2 3.35Å; Y549-H553 VanDerWaalsContact CE2-NE2 3.35Å; Y549-H553 WeakPolarHBondContact CE2-NE2 3.35Å; Y549-H553 AromaticContact CG-CD2 3.77Å; Y549-H553 AromaticContact CZ-CD2 3.54Å; Y549-H553 AromaticContact CZ-CG 3.77Å; Y549-H553 PolarHBondContact O-CD2 2.83Å; Y549-H553 PolarHBondContact O-N 3.15Å
550	L	66.3	Low	59.3	Low	2 Å²	2	78.5 Å²	78.5	1%	0.01	42%	0.42	C	S	.	.	H	α-helix	trans	-59.8	-35.9	173.4	-69.9	172.8	0	0	0	111.2	V511 F522 I525 T529 T546 V547 K552 F555 H556	V511-L550 HydrophobicContact CG1-CD2 4.32Å; F522-L550 HydrophobicContact CD2-CD2 4.25Å; F522-L550 HydrophobicContact CE2-CD1 4.02Å; F522-L550 HydrophobicContact CE2-CD2 3.71Å; F522-L550 HydrophobicContact CE2-CG 4.47Å; F522-L550 HydrophobicContact CZ-CD1 4.46Å; I525-L550 HydrophobicContact CD1-CD2 4.33Å; T529-L550 HydrophobicContact CG2-CD1 3.47Å; T529-L550 VanDerWaalsContact CG2-CD1 3.47Å; T546-L550 HydrophobicContact CG2-CD1 4.39Å; T546-L550 WeakPolarHBondContact O-CB 3.43Å; T546-L550 VanDerWaalsContact O-CG 3.27Å; T546-L550 WeakPolarHBondContact O-CG 3.25Å; T546-L550 PolarHBondContact O-N 2.95Å; V547-L550 PolarHBondContact O-N 3.15Å; L550-K552 PolarHBondContact O-N 2.79Å; L550-F555 HydrophobicContact CD2-CB 4.34Å; L550-F555 HydrophobicContact CD2-CD2 3.64Å; L550-F555 HydrophobicContact CD2-CE2 4.26Å; L550-F555 HydrophobicContact CD2-CG 4.22Å; L550-H556 PolarHBondContact O-CD2 3.1Å; L550-H556 VanDerWaalsContact O-CD2 3.24Å; L550-H556 PolarHBondContact O-NE2 3.03Å
551	C	62.1	Low	60.2	Low	55 Å²	55	71.6 Å²	71.6	37%	0.372	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-14.5	173.2	-79	0	0	0	0	114.8	V547 H548 Y549 H556	V547-C551 WeakPolarHBondContact O-CB 3.24Å; V547-C551 PolarHBondContact O-N 2.8Å; V547-C551 PolarHBondContact O-SG 3Å; H548-C551 CarbonylContact O-C 3.54Å; H548-C551 WeakPolarHBondContact O-CB 3.37Å; H548-C551 PolarHBondContact O-N 2.88Å; Y549-C551 PolarHBondContact O-N 3.02Å; C551-H556 WeakPolarHBondContact CA-NE2 2.82Å; C551-H556 PolarHBondContact O-CD2 2.93Å; C551-H556 PolarHBondContact O-NE2 3.21Å
552	K	63.7	Low	60.7	Low	150 Å²	150	67.3 Å²	67.3	65%	0.652	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	-22.3	-174.4	-166.5	175.5	-178.8	178.7	0	114	H548 Y549 L550	H548-K552 WeakPolarHBondContact O-CB 3.24Å; H548-K552 PolarHBondContact O-N 2.61Å; H548-K552 VanDerWaalsContact O-N 3.16Å; Y549-K552 PolarHBondContact O-N 3.37Å; L550-K552 PolarHBondContact O-N 2.79Å
553	H	62.2	Low	61.2	Low	68 Å²	68	63.4 Å²	63.4	32%	0.315	35%	0.346	S	S	.	.	S	Bend	trans	-113.2	168	-171.2	-70.8	-79.6	0	0	0	113.3	Y549 F555 H556	Y549-H553 HydrophobicContact CD1-CB 4.46Å; Y549-H553 AromaticContact CD2-CD2 3.33Å; Y549-H553 WeakPolarHBondContact CD2-CD2 3.26Å; Y549-H553 AromaticContact CD2-NE2 3.68Å; Y549-H553 HydrophobicContact CE1-CB 4.12Å; Y549-H553 AromaticContact CE1-CD2 3.98Å; Y549-H553 AromaticContact CE2-CD2 3.19Å; Y549-H553 WeakPolarHBondContact CE2-CD2 3.25Å; Y549-H553 AromaticContact CE2-CG 3.89Å; Y549-H553 AromaticContact CE2-NE2 3.35Å; Y549-H553 VanDerWaalsContact CE2-NE2 3.35Å; Y549-H553 WeakPolarHBondContact CE2-NE2 3.35Å; Y549-H553 AromaticContact CG-CD2 3.77Å; Y549-H553 AromaticContact CZ-CD2 3.54Å; Y549-H553 AromaticContact CZ-CG 3.77Å; Y549-H553 PolarHBondContact O-CD2 2.83Å; Y549-H553 PolarHBondContact O-N 3.15Å; H553-F555 PolarHBondContact O-N 2.82Å; H553-H556 PolarHBondContact O-CD2 2.69Å; H553-H556 PolarHBondContact O-N 3.34Å
554	S	54.5	Low	61.6	Low	87 Å²	87	59.4 Å²	59.4	61%	0.608	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-45.9	-12.9	-163.8	-25	0	0	0	0	118	H556	S554-H556 PolarHBondContact O-N 3.06Å
555	F	55.8	Low	61.6	Low	16 Å²	16	60 Å²	60	7%	0.07	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-67.6	-15.7	177.5	-67.3	-65.1	0	0	0	113.4	G515 F522 I525 L550 H553 Q557 S558 V561	G515-F555 VanDerWaalsContact CA-CE2 3.42Å; F522-F555 HydrophobicContact CB-CD1 3.75Å; F522-F555 HydrophobicContact CB-CE1 4.36Å; F522-F555 HydrophobicContact CD2-CB 3.97Å; F522-F555 AromaticContact CD2-CD1 3.8Å; F522-F555 HydrophobicContact CD2-CD1 3.8Å; F522-F555 HydrophobicContact CD2-CE1 4.43Å; F522-F555 AromaticContact CD2-CG 3.88Å; F522-F555 HydrophobicContact CD2-CG 3.88Å; F522-F555 HydrophobicContact CG-CD1 4.28Å; I525-F555 HydrophobicContact CD1-CD1 4.19Å; I525-F555 HydrophobicContact CD1-CD2 4.12Å; I525-F555 HydrophobicContact CD1-CE1 3.63Å; I525-F555 HydrophobicContact CD1-CE2 3.53Å; I525-F555 HydrophobicContact CD1-CG 4.41Å; I525-F555 HydrophobicContact CD1-CZ 3.27Å; I525-F555 HydrophobicContact CG1-CE1 4.24Å; I525-F555 HydrophobicContact CG1-CZ 4.23Å; L550-F555 HydrophobicContact CD2-CB 4.34Å; L550-F555 HydrophobicContact CD2-CD2 3.64Å; L550-F555 HydrophobicContact CD2-CE2 4.26Å; L550-F555 HydrophobicContact CD2-CG 4.22Å; H553-F555 PolarHBondContact O-N 2.82Å; F555-Q557 PolarHBondContact O-N 2.76Å; F555-S558 PolarHBondContact O-N 2.87Å; F555-S558 VanDerWaalsContact O-N 3.17Å; F555-V561 HydrophobicContact CB-CG2 4.04Å; F555-V561 WeakPolarHBondContact O-CG2 3.49Å
556	H	52	Low	61.4	Low	95 Å²	95	60.9 Å²	60.9	44%	0.44	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-54.7	-23.6	178.7	-90.2	-63.6	0	0	0	116.8	L550 C551 H553 S554 S558	L550-H556 PolarHBondContact O-CD2 3.1Å; L550-H556 VanDerWaalsContact O-CD2 3.24Å; L550-H556 PolarHBondContact O-NE2 3.03Å; C551-H556 WeakPolarHBondContact CA-NE2 2.82Å; C551-H556 PolarHBondContact O-CD2 2.93Å; C551-H556 PolarHBondContact O-NE2 3.21Å; H553-H556 PolarHBondContact O-CD2 2.69Å; H553-H556 PolarHBondContact O-N 3.34Å; S554-H556 PolarHBondContact O-N 3.06Å; H556-S558 PolarHBondContact O-N 2.81Å
557	Q	52.1	Low	61.4	Low	191 Å²	191	65.8 Å²	65.8	89%	0.893	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-83.2	0.4	-176	-65.2	-175.6	-4.1	0	0	113.3	F555	F555-Q557 PolarHBondContact O-N 2.76Å
558	S	58.2	Low	61.4	Low	33 Å²	33	67.6 Å²	67.6	23%	0.231	37%	0.366	C	S	.	.			trans	-102.9	125.4	-179.7	153.7	0	0	0	0	110.8	F555 H556 D560 V561	F555-S558 PolarHBondContact O-N 2.87Å; F555-S558 VanDerWaalsContact O-N 3.17Å; H556-S558 PolarHBondContact O-N 2.81Å; S558-D560 PolarHBondContact O-N 2.79Å; S558-D560 VanDerWaalsContact O-N 3.13Å; S558-D560 WeakPolarHBondContact OG-CB 3.34Å; S558-D560 PolarHBondContact OG-N 3.05Å; S558-V561 WeakPolarHBondContact O-CB 3.37Å; S558-V561 PolarHBondContact O-N 2.94Å
559	D	59.7	Low	61.2	Low	150 Å²	150	66.5 Å²	66.5	80%	0.802	36%	0.36	S	S	*	.	H	α-helix	trans	-54.7	-29.5	176	-71.6	-27	0	0	0	112.5	V561 A562 G563	D559-V561 VanDerWaalsContact C-N 3.25Å; D559-V561 PolarHBondContact O-N 3.13Å; D559-A562 PolarHBondContact O-N 2.88Å; D559-G563 PolarHBondContact O-N 3.18Å; D559-G563 VanDerWaalsContact O-N 3.08Å
560	D	62.9	Low	60.8	Low	69 Å²	69	66.3 Å²	66.3	37%	0.369	37%	0.365	S	S	.	.	H	α-helix	trans	-63.2	-30.1	176.9	-76.4	-14.2	0	0	0	112.7	F522 S523 S558 T564	F522-D560 HydrophobicContact CD1-CB 4Å; S523-D560 PolarHBondContact OG-OD2 2.85Å; S558-D560 PolarHBondContact O-N 2.79Å; S558-D560 VanDerWaalsContact O-N 3.13Å; S558-D560 WeakPolarHBondContact OG-CB 3.34Å; S558-D560 PolarHBondContact OG-N 3.05Å; D560-T564 VanDerWaalsContact O-CB 3.32Å; D560-T564 WeakPolarHBondContact O-CB 3.34Å; D560-T564 PolarHBondContact O-N 2.89Å; D560-T564 PolarHBondContact O-OG1 2.84Å
561	V	62.1	Low	60.3	Low	2 Å²	2	73.5 Å²	73.5	1%	0.012	40%	0.397	C	S	.	.	H	α-helix	trans	-74.8	-44.2	-179.5	-170.8	0	0	0	0	110.4	F522 F555 S558 D559 G563 T564 L565	F522-V561 HydrophobicContact CB-CG2 3.67Å; F522-V561 HydrophobicContact CD1-CG2 3.61Å; F522-V561 HydrophobicContact CD2-CG2 3.58Å; F522-V561 HydrophobicContact CE1-CG2 4.05Å; F522-V561 HydrophobicContact CE2-CG1 4.38Å; F522-V561 HydrophobicContact CE2-CG2 4.05Å; F522-V561 HydrophobicContact CG-CG2 3.33Å; F522-V561 HydrophobicContact CZ-CG1 4.47Å; F522-V561 HydrophobicContact CZ-CG2 4.25Å; F555-V561 HydrophobicContact CB-CG2 4.04Å; F555-V561 WeakPolarHBondContact O-CG2 3.49Å; S558-V561 WeakPolarHBondContact O-CB 3.37Å; S558-V561 PolarHBondContact O-N 2.94Å; D559-V561 VanDerWaalsContact C-N 3.25Å; D559-V561 PolarHBondContact O-N 3.13Å; V561-G563 VanDerWaalsContact C-N 3.32Å; V561-G563 PolarHBondContact O-N 2.73Å; V561-T564 PolarHBondContact O-N 3.11Å; V561-L565 HydrophobicContact CG1-CD1 3.86Å; V561-L565 HydrophobicContact CG1-CG 4.21Å; V561-L565 WeakPolarHBondContact O-CB 3.01Å; V561-L565 VanDerWaalsContact O-CG 3.27Å; V561-L565 WeakPolarHBondContact O-CG 3.29Å; V561-L565 PolarHBondContact O-N 2.8Å
562	A	61.2	Low	59.9	Low	56 Å²	56	72.3 Å²	72.3	46%	0.463	39%	0.394	S	S	.	.	H	α-helix	trans	-57.4	-47.7	173.4	0	0	0	0	0	110.2	D559 T564 L565 V566	D559-A562 PolarHBondContact O-N 2.88Å; A562-T564 PolarHBondContact O-N 2.89Å; A562-L565 PolarHBondContact O-N 2.81Å; A562-V566 VanDerWaalsContact O-CB 3.26Å; A562-V566 WeakPolarHBondContact O-CB 3.37Å; A562-V566 WeakPolarHBondContact O-CG2 3.08Å; A562-V566 PolarHBondContact O-N 3.15Å
563	G	64.4	Low	58.9	Low	35 Å²	35	71.5 Å²	71.5	36%	0.361	40%	0.396	S	S	.	.	H	α-helix	trans	-62.2	-38.8	176.7	0	0	0	0	0	113.9	D559 V561 N567	D559-G563 PolarHBondContact O-N 3.18Å; D559-G563 VanDerWaalsContact O-N 3.08Å; V561-G563 VanDerWaalsContact C-N 3.32Å; V561-G563 PolarHBondContact O-N 2.73Å; G563-N567 WeakPolarHBondContact O-CB 3.42Å; G563-N567 PolarHBondContact O-N 2.84Å; G563-N567 PolarHBondContact O-ND2 2.88Å
564	T	64.3	Low	57.8	Low	11 Å²	11	76.9 Å²	76.9	7%	0.067	42%	0.419	C	S	.	.	H	α-helix	trans	-72.3	-41.3	179.7	-56.9	0	0	0	0	112	F522 L530 D560 V561 A562 N567 Y568	F522-T564 HydrophobicContact CE1-CG2 4.27Å; F522-T564 HydrophobicContact CZ-CG2 4.24Å; L530-T564 HydrophobicContact CD2-CG2 3.83Å; L530-T564 HydrophobicContact CG-CG2 4.25Å; D560-T564 VanDerWaalsContact O-CB 3.32Å; D560-T564 WeakPolarHBondContact O-CB 3.34Å; D560-T564 PolarHBondContact O-N 2.89Å; D560-T564 PolarHBondContact O-OG1 2.84Å; V561-T564 PolarHBondContact O-N 3.11Å; A562-T564 PolarHBondContact O-N 2.89Å; T564-N567 PolarHBondContact O-N 2.79Å; T564-Y568 PolarHBondContact O-N 2.86Å
565	L	63.2	Low	57	Low	19 Å²	19	79.3 Å²	79.3	10%	0.099	42%	0.424	C	S	.	.	H	α-helix	trans	-65.9	-44.1	173.8	-71	174.4	0	0	0	111	V547 V561 A562 N567 Y568 F569	V547-L565 HydrophobicContact CG1-CD2 3.79Å; V561-L565 HydrophobicContact CG1-CD1 3.86Å; V561-L565 HydrophobicContact CG1-CG 4.21Å; V561-L565 WeakPolarHBondContact O-CB 3.01Å; V561-L565 VanDerWaalsContact O-CG 3.27Å; V561-L565 WeakPolarHBondContact O-CG 3.29Å; V561-L565 PolarHBondContact O-N 2.8Å; A562-L565 PolarHBondContact O-N 2.81Å; L565-N567 VanDerWaalsContact C-N 3.32Å; L565-N567 PolarHBondContact O-N 3.38Å; L565-Y568 PolarHBondContact O-N 2.83Å; L565-Y568 VanDerWaalsContact O-N 3.14Å; L565-F569 HydrophobicContact CB-CD2 4.24Å; L565-F569 HydrophobicContact CB-CE2 4.22Å; L565-F569 HydrophobicContact CD2-CE2 4.33Å; L565-F569 WeakPolarHBondContact O-CB 3.41Å; L565-F569 WeakPolarHBondContact O-CD2 3.27Å; L565-F569 PolarHBondContact O-N 3.17Å
566	V	63.1	Low	55.8	Low	95 Å²	95	85.9 Å²	85.9	58%	0.576	46%	0.46	S	S	*	.	H	α-helix	trans	-58.7	-43.9	175	167.9	0	0	0	0	110.7	A562 Y568 A570	A562-V566 VanDerWaalsContact O-CB 3.26Å; A562-V566 WeakPolarHBondContact O-CB 3.37Å; A562-V566 WeakPolarHBondContact O-CG2 3.08Å; A562-V566 PolarHBondContact O-N 3.15Å; V566-Y568 VanDerWaalsContact C-N 3.35Å; V566-Y568 PolarHBondContact O-N 2.81Å; V566-A570 WeakPolarHBondContact O-CA 3.4Å; V566-A570 WeakPolarHBondContact O-CB 3.45Å; V566-A570 PolarHBondContact O-N 2.96Å
567	N	63.6	Low	54.8	Low	107 Å²	107	90 Å²	90	57%	0.572	48%	0.479	S	S	*	.	H	α-helix	trans	-64.9	-36.2	175.7	-85.5	-33.4	0	0	0	113.1	G563 T564 L565 K571	G563-N567 WeakPolarHBondContact O-CB 3.42Å; G563-N567 PolarHBondContact O-N 2.84Å; G563-N567 PolarHBondContact O-ND2 2.88Å; T564-N567 PolarHBondContact O-N 2.79Å; L565-N567 VanDerWaalsContact C-N 3.32Å; L565-N567 PolarHBondContact O-N 3.38Å; N567-K571 WeakPolarHBondContact O-CB 2.96Å; N567-K571 WeakPolarHBondContact O-CG 3.39Å; N567-K571 PolarHBondContact O-N 3.27Å
568	Y	63.2	Low	53.8	Low	38 Å²	38	87.2 Å²	87.2	15%	0.149	48%	0.477	C	S	.	.	H	α-helix	trans	-69.3	-48.8	176.2	-177.6	-108	0	0	0	112.5	M533 V547 T564 L565 V566 A570 K571 G572	M533-Y568 HydrophobicContact CB-CD2 3.95Å; M533-Y568 HydrophobicContact CB-CE2 3.81Å; M533-Y568 HydrophobicContact CE-CD1 3.66Å; M533-Y568 HydrophobicContact CE-CD2 3.08Å; M533-Y568 HydrophobicContact CE-CE1 4.22Å; M533-Y568 HydrophobicContact CE-CE2 3.7Å; M533-Y568 HydrophobicContact CE-CG 3.02Å; M533-Y568 HydrophobicContact CG-CD2 4.29Å; M533-Y568 HydrophobicContact CG-CE2 4.15Å; M533-Y568 HydrophobicContact SD-CD2 4.46Å; V547-Y568 HydrophobicContact CG2-CD1 4.12Å; V547-Y568 HydrophobicContact CG2-CE1 3.8Å; T564-Y568 PolarHBondContact O-N 2.86Å; L565-Y568 PolarHBondContact O-N 2.83Å; L565-Y568 VanDerWaalsContact O-N 3.14Å; V566-Y568 VanDerWaalsContact C-N 3.35Å; V566-Y568 PolarHBondContact O-N 2.81Å; Y568-A570 VanDerWaalsContact C-N 3.31Å; Y568-A570 PolarHBondContact O-N 2.96Å; Y568-K571 PolarHBondContact O-N 2.81Å; Y568-G572 PolarHBondContact O-N 3.12Å
569	F	62.5	Low	52.6	Low	85 Å²	85	92.3 Å²	92.3	37%	0.373	51%	0.508	S	S	.	.	H	α-helix	trans	-63.4	-38.8	175.2	-73.2	-63.6	0	0	0	110.7	V547 L565 G572 L573	V547-F569 HydrophobicContact CG1-CZ 4.24Å; L565-F569 HydrophobicContact CB-CD2 4.24Å; L565-F569 HydrophobicContact CB-CE2 4.22Å; L565-F569 HydrophobicContact CD2-CE2 4.33Å; L565-F569 WeakPolarHBondContact O-CB 3.41Å; L565-F569 WeakPolarHBondContact O-CD2 3.27Å; L565-F569 PolarHBondContact O-N 3.17Å; F569-G572 CarbonylContact O-C 3.47Å; F569-G572 PolarHBondContact O-N 3.32Å; F569-G572 VanDerWaalsContact O-N 3.15Å; F569-L573 HydrophobicContact CB-CD1 4.08Å; F569-L573 WeakPolarHBondContact O-CB 3.5Å; F569-L573 WeakPolarHBondContact O-CD1 3.46Å; F569-L573 WeakPolarHBondContact O-CG 3.41Å; F569-L573 PolarHBondContact O-N 3.02Å
570	A	59.2	Low	51.1	Low	29 Å²	29	89.6 Å²	89.6	24%	0.24	51%	0.506	C	S	.	.	H	α-helix	trans	-60.7	-46.2	173	0	0	0	0	0	111.3	V566 Y568 G572 L573 F574	V566-A570 WeakPolarHBondContact O-CA 3.4Å; V566-A570 WeakPolarHBondContact O-CB 3.45Å; V566-A570 PolarHBondContact O-N 2.96Å; Y568-A570 VanDerWaalsContact C-N 3.31Å; Y568-A570 PolarHBondContact O-N 2.96Å; A570-G572 PolarHBondContact O-N 2.86Å; A570-L573 PolarHBondContact O-N 2.84Å; A570-F574 HydrophobicContact CB-CE2 4.34Å; A570-F574 WeakPolarHBondContact O-CD2 3.34Å; A570-F574 PolarHBondContact O-N 3.47Å
571	K	56.9	Low	49.5	Very low	153 Å²	153	96.5 Å²	96.5	67%	0.665	53%	0.533	S	S	*	.	H	α-helix	trans	-60.6	-28.3	174.8	-80	-177.3	174.2	-170.5	0	113.5	N567 Y568	N567-K571 WeakPolarHBondContact O-CB 2.96Å; N567-K571 WeakPolarHBondContact O-CG 3.39Å; N567-K571 PolarHBondContact O-N 3.27Å; Y568-K571 PolarHBondContact O-N 2.81Å
572	G	53.1	Low	48	Very low	30 Å²	30	107.3 Å²	107.3	31%	0.309	57%	0.574	S	S	.	*	H	α-helix	trans	-89.4	-24.4	175.8	0	0	0	0	0	115.5	Y568 F569 A570	Y568-G572 PolarHBondContact O-N 3.12Å; F569-G572 CarbonylContact O-C 3.47Å; F569-G572 PolarHBondContact O-N 3.32Å; F569-G572 VanDerWaalsContact O-N 3.15Å; A570-G572 PolarHBondContact O-N 2.86Å
573	L	42.2	Very low	46.5	Very low	133 Å²	133	111.1 Å²	111.1	70%	0.696	59%	0.594	S	S	*	*	H	α-helix	trans	-90.3	-9.6	-177.4	-81.5	156.5	0	0	0	113.9	F569 A570 L575	F569-L573 HydrophobicContact CB-CD1 4.08Å; F569-L573 WeakPolarHBondContact O-CB 3.5Å; F569-L573 WeakPolarHBondContact O-CD1 3.46Å; F569-L573 WeakPolarHBondContact O-CG 3.41Å; F569-L573 PolarHBondContact O-N 3.02Å; A570-L573 PolarHBondContact O-N 2.84Å; L573-L575 PolarHBondContact O-N 2.98Å
574	F	40.2	Very low	44.8	Very low	181 Å²	181	114 Å²	114	79%	0.794	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	14.5	174.9	-81.8	-68.4	0	0	0	114.1	A570	A570-F574 HydrophobicContact CB-CE2 4.34Å; A570-F574 WeakPolarHBondContact O-CD2 3.34Å; A570-F574 PolarHBondContact O-N 3.47Å
575	L	37.2	Very low	43.3	Very low	137 Å²	137	122.1 Å²	122.1	72%	0.717	65%	0.646	S	S	*	*	S	Bend	trans	-108.6	101	165.1	-69.2	163.9	0	0	0	107.7	L573	L573-L575 PolarHBondContact O-N 2.98Å
576	D	30.6	Very low	41.6	Very low	155 Å²	155	129.2 Å²	129.2	83%	0.829	68%	0.682	S	S	*	*	S	Bend	trans	64.4	107.8	169.7	-60.2	-23.8	0	0	0	120.5
577	E	31.9	Very low	40.2	Very low	182 Å²	182	130.2 Å²	130.2	85%	0.85	69%	0.69	S	S	*	*			trans	44.2	129.8	156.7	-66.1	-167.3	161.5	0	0	122.6	T579	E577-T579 PolarHBondContact O-N 2.83Å
578	P	29.6	Very low	38.6	Very low	131 Å²	131	130 Å²	130	85%	0.851	70%	0.697	S	S	*	*			trans	-87.2	115.2	-174.4	34.9	-30.3	0	0	0	111.9
579	T	33.2	Very low	37.2	Very low	141 Å²	141	134.6 Å²	134.6	87%	0.865	73%	0.729	S	S	*	*			trans	-116.5	127.2	161.7	47.3	0	0	0	0	111	E577	E577-T579 PolarHBondContact O-N 2.83Å
580	A	28.8	Very low	35.7	Very low	93 Å²	93	136 Å²	136	77%	0.769	75%	0.75	S	S	*	*			trans	-66.7	141.6	-167	0	0	0	0	0	114
581	F	29.8	Very low	34.4	Very low	214 Å²	214	141.4 Å²	141.4	94%	0.939	78%	0.779	S	S	*	*			trans	-142.4	130.3	155.2	-110.2	-85.9	0	0	0	112.7
582	R	28.9	Very low	33.2	Very low	228 Å²	228	138.1 Å²	138.1	86%	0.86	78%	0.781	S	S	*	*			trans	-78.6	146.5	-176.7	-69.4	175.7	173.3	174.6	-2.4	111.3	S584	R582-S584 PolarHBondContact O-N 3.42Å
583	P	30.1	Very low	32.3	Very low	136 Å²	136	142.6 Å²	142.6	88%	0.883	81%	0.805	S	S	*	*			trans	-89	107.7	173.4	32.6	-27	0	0	0	110.4
584	S	29.2	Very low	31.9	Very low	96 Å²	96	143.1 Å²	143.1	67%	0.671	81%	0.813	S	S	*	*			trans	-153	118.1	161.1	56.7	0	0	0	0	108.7	R582	R582-S584 PolarHBondContact O-N 3.42Å
585	E	33.6	Very low	31.5	Very low	182 Å²	182	142.1 Å²	142.1	85%	0.85	82%	0.815	S	S	*	*			trans	139.6	89.7	156.7	-76.7	172.3	-163.1	0	0	110.8
586	I	27.2	Very low	31.4	Very low	168 Å²	168	143.2 Å²	143.2	86%	0.862	82%	0.821	S	S	*	*			trans	-91	122.2	158.1	-61	166.9	0	0	0	106.1
587	P	33.6	Very low	31.5	Very low	115 Å²	115	140.5 Å²	140.5	75%	0.747	81%	0.812	S	S	*	*			trans	-107.3	112.8	156.8	9.9	10.7	0	0	0	109.3
588	S	29	Very low	31.6	Very low	102 Å²	102	140.8 Å²	140.8	71%	0.713	81%	0.811	S	S	*	*			trans	-63.6	125.7	160.4	53.3	0	0	0	0	110.2
589	T	33.6	Very low	31.8	Very low	135 Å²	135	142.2 Å²	142.2	83%	0.828	81%	0.811	S	S	*	*			trans	-173.8	133.1	137.4	20.2	0	0	0	0	114.2
590	S	32.2	Very low	32.1	Very low	115 Å²	115	142.8 Å²	142.8	80%	0.804	81%	0.809	S	S	*	*			trans	61.3	111.9	149.4	79.6	0	0	0	0	121.8
591	V	31.6	Very low	32.4	Very low	142 Å²	142	141.5 Å²	141.5	86%	0.861	81%	0.805	S	S	*	*			trans	-53.4	135.1	160	177.2	0	0	0	0	112.6
592	A	31.2	Very low	32.7	Very low	84 Å²	84	138.9 Å²	138.9	69%	0.694	80%	0.801	S	S	*	*			trans	-124.5	137.4	152.4	0	0	0	0	0	108.1
593	P	34.3	Very low	33.1	Very low	125 Å²	125	134.1 Å²	134.1	81%	0.812	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-80.5	131.3	-173.1	31.9	-30.9	0	0	0	110.6
594	V	34.7	Very low	33.3	Very low	144 Å²	144	134.2 Å²	134.2	87%	0.873	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-92.2	130	171.4	177.6	0	0	0	0	108.8
595	L	32	Very low	33.7	Very low	159 Å²	159	139.1 Å²	139.1	83%	0.832	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-51.4	136.2	-178	-68.9	140.6	0	0	0	113.6	P597	L595-P597 WeakPolarHBondContact O-CD 3.35Å
596	N	33.6	Very low	33.9	Very low	160 Å²	160	143.4 Å²	143.4	86%	0.856	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-80	124.4	167	-122	2.1	0	0	0	108.9
597	P	32.4	Very low	34.2	Very low	98 Å²	98	142.2 Å²	142.2	64%	0.636	81%	0.814	S	S	*	*			trans	-111	66.8	175.7	37.7	-25.4	0	0	0	110.4	L595	L595-P597 WeakPolarHBondContact O-CD 3.35Å
598	F	35	Very low	34.2	Very low	189 Å²	189	143.6 Å²	143.6	83%	0.829	82%	0.817	S	S	*	*			trans	-160.4	81.2	165.7	-76.6	-68.3	0	0	0	108.8
599	D	34.7	Very low	34.5	Very low	160 Å²	160	145.9 Å²	145.9	86%	0.856	82%	0.823	S	S	*	*			trans	-127	82.2	165.8	-160.4	19.1	0	0	0	105.8
600	D	38.7	Very low	34.6	Very low	154 Å²	154	146.6 Å²	146.6	82%	0.824	82%	0.823	S	S	*	*			trans	-93.9	105.2	168.3	-80.3	-34.2	0	0	0	106.8
601	G	35	Very low	34.7	Very low	66 Å²	66	148.6 Å²	148.6	68%	0.68	82%	0.824	S	S	*	*			trans	-72.1	146.3	166.3	0	0	0	0	0	111
602	D	35.8	Very low	34.9	Very low	159 Å²	159	149 Å²	149	85%	0.85	82%	0.822	S	S	*	*			trans	-143.2	93	154.2	-131.7	-0.8	0	0	0	108.4
603	D	37.4	Very low	35.2	Very low	127 Å²	127	153.6 Å²	153.6	68%	0.679	83%	0.831	S	S	*	*			trans	39	102.4	133.9	-67.6	-10.4	0	0	0	119.9	Y605	D603-Y605 HydrophobicContact CB-CD2 4.31Å
604	T	33.5	Very low	35.2	Very low	139 Å²	139	155.8 Å²	155.8	85%	0.853	83%	0.832	S	S	*	*			trans	-76.1	123.9	141.5	45.8	0	0	0	0	110.9
605	Y	39.5	Very low	35.3	Very low	198 Å²	198	156.8 Å²	156.8	78%	0.776	83%	0.829	S	S	*	*			trans	-130.2	120.8	154.8	-85.5	-86	0	0	0	108.9	D603	D603-Y605 HydrophobicContact CB-CD2 4.31Å
606	E	35.9	Very low	35.6	Very low	273 Å²	273	156.6 Å²	156.6	100%	1.276	83%	0.829	S	S	*	*			trans	59.2	0	170.7	-66.7	-170.9	162.4	0	0	120.8

Retrieved 606 of 606 residues in 1739.5 ms (Link to these results)

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