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Tubulin alpha chain

Tubulin is the major constituent of microtubules, a cylinder consisting of laterally associated linear protofilaments composed of alpha- and beta-tubulin heterodimers. Microtubules grow by the addition of GTP-tubulin dimers to the microtubule end, where a stabilizing cap forms. Below the cap, tubulin dimers are in GDP-bound state, owing to GTPase activity of alpha-tubulin.

AlphaFold DB , UniProt , Accession A0A077Z355, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 468 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	39.3	Very low	36.4	Very low	243 Å²	243	170.4 Å²	170.4	100%	1.197	80%	0.804	S	S	*	*				0	106.5	0	-74.5	174.9	-162.9	0	0	107.2	Q3	M1-Q3 PolarHBondContact O-N 3.47Å
2	S	36.8	Very low	36.2	Very low	107 Å²	107	166.9 Å²	166.9	75%	0.748	80%	0.802	S	S	*	*			trans	-66.6	120.4	178	50	0	0	0	0	109.4	V4	S2-V4 PolarHBondContact O-N 3.46Å
3	Q	37.6	Very low	36.4	Very low	179 Å²	179	157.8 Å²	157.8	84%	0.836	76%	0.764	S	S	*	*			trans	-64.1	105.8	165.6	-73.1	-179.5	-10.7	0	0	107.4	M1 T5	M1-Q3 PolarHBondContact O-N 3.47Å; Q3-T5 PolarHBondContact O-N 2.93Å
4	V	37.1	Very low	36.9	Very low	114 Å²	114	155.4 Å²	155.4	69%	0.691	76%	0.764	S	S	*	*			trans	-76.7	87.3	169.5	-179.2	0	0	0	0	106	S2 T6	S2-V4 PolarHBondContact O-N 3.46Å; V4-T6 VanDerWaalsContact C-N 3.27Å; V4-T6 HydrophobicContact CG1-CG2 4.27Å; V4-T6 PolarHBondContact O-N 3.5Å
5	T	33.7	Very low	37.6	Very low	110 Å²	110	148.6 Å²	148.6	68%	0.675	74%	0.735	S	S	*	*			trans	-70.7	93	164.5	-45.1	0	0	0	0	106.3	Q3 Y7	Q3-T5 PolarHBondContact O-N 2.93Å; T5-Y7 PolarHBondContact O-N 3.48Å
6	T	35.6	Very low	38.5	Very low	114 Å²	114	144.1 Å²	144.1	70%	0.699	73%	0.729	S	S	*	*			trans	-62.6	99.3	170.3	19.2	0	0	0	0	107.9	V4 R8	V4-T6 VanDerWaalsContact C-N 3.27Å; V4-T6 HydrophobicContact CG1-CG2 4.27Å; V4-T6 PolarHBondContact O-N 3.5Å; T6-R8 VanDerWaalsContact C-N 3.31Å; T6-R8 PolarHBondContact O-N 3.07Å
7	Y	29.8	Very low	39.9	Very low	217 Å²	217	138.2 Å²	138.2	85%	0.851	70%	0.698	S	S	*	*			trans	-57.4	97.8	162.1	-111	-97	0	0	0	107.1	T5 Q9	T5-Y7 PolarHBondContact O-N 3.48Å; Y7-Q9 PolarHBondContact O-N 3.47Å
8	R	38.2	Very low	42.1	Very low	194 Å²	194	134.9 Å²	134.9	73%	0.732	68%	0.676	S	S	*	*			trans	-62.3	107.1	167.1	-80	-177.5	172.2	-179.6	-2.5	106.2	T6 R10	T6-R8 VanDerWaalsContact C-N 3.31Å; T6-R8 PolarHBondContact O-N 3.07Å; R8-R10 PolarHBondContact O-N 3.13Å
9	Q	32.9	Very low	44.6	Very low	179 Å²	179	127.9 Å²	127.9	84%	0.836	64%	0.641	S	S	*	*			trans	-52	129.3	168.7	-74.4	176.6	-24.2	0	0	107.7	Y7 R11	Y7-Q9 PolarHBondContact O-N 3.47Å; Q9-R11 PolarHBondContact O-N 3.13Å
10	R	35.3	Very low	47.1	Very low	250 Å²	250	121.6 Å²	121.6	94%	0.943	61%	0.609	S	S	*	*			trans	-50.6	107.8	175.3	-79.8	-178.1	171.5	-177.4	-4.5	108.1	R8	R8-R10 PolarHBondContact O-N 3.13Å
11	R	44	Very low	49.4	Very low	167 Å²	167	115.8 Å²	115.8	63%	0.63	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-70.7	133.4	179.8	-71.5	178.1	170.1	-161.4	-12.2	107.7	Q9 P13 D61	Q9-R11 PolarHBondContact O-N 3.13Å; R11-P13 WeakPolarHBondContact O-CD 3.32Å; R11-D61 IonicContact CZ-OD1 2.65Å; R11-D61 IonicContact NH1-OD1 3.73Å; R11-D61 PolarHBondContact NH1-OD1 2.98Å; R11-D61 IonicContact NH2-OD1 3.75Å; R11-D61 PolarHBondContact NH2-OD1 3.16Å
12	V	34.5	Very low	52.2	Low	129 Å²	129	104.3 Å²	104.3	78%	0.782	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-72.3	118.9	171.9	-177.1	0	0	0	0	106.5	T14	V12-T14 PolarHBondContact O-N 3.4Å
13	P	38.5	Very low	55.1	Low	48 Å²	48	99.2 Å²	99.2	31%	0.312	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-58.5	128.1	-178.5	-20.5	30.5	0	0	0	109.9	R11 Q17	R11-P13 WeakPolarHBondContact O-CD 3.32Å; P13-Q17 HydrophobicContact CB-CG 4.07Å; P13-Q17 HydrophobicContact CG-CG 4.14Å
14	T	43.3	Very low	58	Low	125 Å²	125	90.7 Å²	90.7	77%	0.767	45%	0.448	S	S	*	.	S	Bend	trans	-83.3	-21.8	178.1	51.4	0	0	0	0	112.2	V12 D65	V12-T14 PolarHBondContact O-N 3.4Å; T14-D65 WeakPolarHBondContact CA-OD2 3.32Å; T14-D65 PolarHBondContact N-OD2 3.01Å; T14-D65 PolarHBondContact OG1-OD2 3.04Å
15	V	48.1	Very low	60.9	Low	53 Å²	53	85.3 Å²	85.3	32%	0.321	42%	0.415	S	S	.	.	S	Bend	trans	-98.2	131.4	169.4	-174.2	0	0	0	0	109.2	Q17 D65	V15-Q17 PolarHBondContact O-N 3.36Å; V15-D65 HydrophobicContact CB-CB 4.06Å; V15-D65 HydrophobicContact CG2-CB 3.83Å; V15-D65 PolarHBondContact N-OD2 2.88Å
16	A	51.6	Low	63.9	Low	77 Å²	77	80.1 Å²	80.1	64%	0.636	38%	0.384	S	S	*	.			trans	-53.7	112.3	168.9	0	0	0	0	0	108.5	R18	A16-R18 WeakPolarHBondContact O-CG 3.33Å; A16-R18 PolarHBondContact O-N 3.12Å; A16-R18 VanDerWaalsContact O-N 3.11Å
17	Q	61.8	Low	66.7	Low	44 Å²	44	79.7 Å²	79.7	21%	0.206	37%	0.374	C	S	.	.			trans	-54.1	117	-174.8	-71.5	172.2	-39.2	0	0	109.9	P13 V15 E19 E68 S148 S149	P13-Q17 HydrophobicContact CB-CG 4.07Å; P13-Q17 HydrophobicContact CG-CG 4.14Å; V15-Q17 PolarHBondContact O-N 3.36Å; Q17-E19 HydrophobicContact CB-CG 4.48Å; Q17-E68 PolarHBondContact NE2-OE2 2.89Å; Q17-S148 PolarHBondContact OE1-OG 3.48Å; Q17-S149 WeakPolarHBondContact O-CB 3.45Å
18	R	79.3	Confident	69.8	Low	79 Å²	79	70.6 Å²	70.6	30%	0.298	34%	0.344	S	S	.	.			trans	-107	62.7	-176	-59	-166.5	-179.1	-177.2	-3.6	109.9	A16 S69 Q151 L260	A16-R18 WeakPolarHBondContact O-CG 3.33Å; A16-R18 PolarHBondContact O-N 3.12Å; A16-R18 VanDerWaalsContact O-N 3.11Å; R18-S69 WeakPolarHBondContact O-CB 3.32Å; R18-Q151 HydrophobicContact CB-CG 4.23Å; R18-Q151 VanDerWaalsContact CG-NE2 3.28Å; R18-L260 HydrophobicContact CB-CD2 4.27Å
19	E	90.9	Very high	72.6	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.009	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	138.5	-170.8	-66	147.4	123.1	0	0	111.6	Q17 S69 R82 C147 S148 S149 Q151	Q17-E19 HydrophobicContact CB-CG 4.48Å; E19-S69 WeakPolarHBondContact CA-O 3.42Å; E19-R82 IonicContact OE1-CZ 3.49Å; E19-R82 IonicContact OE1-NH1 3.89Å; E19-R82 IonicContact OE1-NH2 3.92Å; E19-R82 PolarHBondContact OE1-NH2 3.03Å; E19-C147 HydrophobicContact CB-CB 4.07Å; E19-C147 HydrophobicContact CG-CB 4.49Å; E19-C147 VanDerWaalsContact OE1-CA 3.29Å; E19-C147 WeakPolarHBondContact OE1-CA 3.46Å; E19-S148 VanDerWaalsContact CD-N 3.35Å; E19-S148 PolarHBondContact OE1-N 3.23Å; E19-S148 VanDerWaalsContact OE1-N 3.07Å; E19-S148 PolarHBondContact OE2-N 2.62Å; E19-S149 PolarHBondContact N-O 3.1Å; E19-S149 PolarHBondContact OE2-N 3.19Å; E19-Q151 PolarHBondContact O-N 3.15Å
20	V	93.4	Very high	75.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	138.6	-178.6	177.7	0	0	0	0	109.2	S69 Q151 V154 L260 L270	V20-S69 PolarHBondContact N-O 3.43Å; V20-Q151 HydrophobicContact CG2-CB 4.38Å; V20-V154 HydrophobicContact CG1-CB 4.26Å; V20-V154 HydrophobicContact CG1-CG2 3.46Å; V20-V154 VanDerWaalsContact CG1-CG2 3.46Å; V20-L260 HydrophobicContact CG2-CD1 3.8Å; V20-L270 HydrophobicContact CG1-CD1 4.23Å; V20-L270 HydrophobicContact CG2-CD1 3.56Å
21	I	95.8	Very high	78.6	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	120.6	176.1	-61.2	171.1	0	0	0	108.5	V23 F140 I143 A144 L150 G152 F153 V154	I21-V23 HydrophobicContact CG2-CG2 4.18Å; I21-F140 HydrophobicContact CG2-CD1 4.32Å; I21-F140 HydrophobicContact CG2-CE1 4.02Å; I21-I143 HydrophobicContact CD1-CB 3.95Å; I21-I143 HydrophobicContact CD1-CG2 3.59Å; I21-I143 HydrophobicContact CG1-CB 4.48Å; I21-I143 HydrophobicContact CG1-CG2 3.63Å; I21-I143 HydrophobicContact CG2-CD1 4.41Å; I21-I143 HydrophobicContact CG2-CG2 4.33Å; I21-A144 HydrophobicContact CD1-CB 4.28Å; I21-L150 HydrophobicContact CB-CD1 4.5Å; I21-L150 HydrophobicContact CD1-CD1 3.74Å; I21-L150 HydrophobicContact CD1-CD2 4.06Å; I21-L150 HydrophobicContact CG1-CD1 3.7Å; I21-G152 PolarHBondContact N-O 3.45Å; I21-G152 VanDerWaalsContact N-O 3.13Å; I21-F153 HydrophobicContact CB-CD1 3.95Å; I21-F153 HydrophobicContact CB-CE1 4.35Å; I21-F153 HydrophobicContact CD1-CD1 4.44Å; I21-F153 HydrophobicContact CD1-CE1 3.98Å; I21-F153 HydrophobicContact CG2-CD1 4.38Å; I21-F153 WeakPolarHBondContact O-CA 3.3Å; I21-V154 PolarHBondContact O-N 2.99Å
22	S	97.5	Very high	81.2	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.014	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	130	174	-57.8	0	0	0	0	110.5	R82 A83 M84 V154	S22-R82 PolarHBondContact N-O 3.31Å; S22-A83 CarbonylContact O-C 3.59Å; S22-A83 VanDerWaalsContact O-CA 3.27Å; S22-A83 WeakPolarHBondContact O-CA 3.06Å; S22-M84 PolarHBondContact O-N 2.87Å; S22-V154 CarbonylContact C-O 3.53Å; S22-V154 WeakPolarHBondContact CA-O 3.32Å
23	V	98.2	Very high	84.1	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	117.3	-174.7	-167.4	0	0	0	0	108.6	I21 V25 F140 V154 V155 F156 L171	I21-V23 HydrophobicContact CG2-CG2 4.18Å; V23-V25 HydrophobicContact CG1-CG2 3.74Å; V23-F140 HydrophobicContact CB-CZ 4.09Å; V23-F140 HydrophobicContact CG1-CE1 4.47Å; V23-F140 HydrophobicContact CG1-CE2 4.36Å; V23-F140 HydrophobicContact CG1-CZ 3.6Å; V23-F140 HydrophobicContact CG2-CE1 3.38Å; V23-F140 HydrophobicContact CG2-CZ 3.33Å; V23-V154 PolarHBondContact N-O 2.88Å; V23-V155 HydrophobicContact CB-CG2 4.4Å; V23-V155 HydrophobicContact CG2-CG2 4.49Å; V23-V155 CarbonylContact O-C 3.6Å; V23-V155 WeakPolarHBondContact O-CA 3.32Å; V23-F156 PolarHBondContact O-N 3.31Å; V23-L171 HydrophobicContact CG1-CD2 3.98Å
24	H	98.5	Very high	86.9	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	111.1	-176.3	-58.4	-75	0	0	0	108.7	G29 G33 W37 M84 F85 V86 F156	H24-G29 PolarHBondContact ND1-O 3.11Å; H24-G33 WeakPolarHBondContact CE1-CA 3.19Å; H24-G33 WeakPolarHBondContact ND1-CA 3.27Å; H24-W37 AromaticContact CD2-NE1 3.85Å; H24-W37 AromaticContact CE1-NE1 3.99Å; H24-W37 AromaticContact NE2-CD1 3.88Å; H24-W37 AromaticContact NE2-NE1 3.12Å; H24-W37 PolarHBondContact NE2-NE1 3Å; H24-W37 VanDerWaalsContact NE2-NE1 3.12Å; H24-M84 PolarHBondContact CD2-O 3.37Å; H24-M84 PolarHBondContact N-O 3.05Å; H24-F85 HydrophobicContact CB-CD1 3.64Å; H24-F85 HydrophobicContact CB-CE1 3.86Å; H24-F85 HydrophobicContact CB-CG 4.25Å; H24-F85 AromaticContact CD2-CE1 3.86Å; H24-F85 AromaticContact CD2-CZ 3.78Å; H24-F85 AromaticContact CG-CE1 3.84Å; H24-F85 WeakPolarHBondContact O-CA 3.5Å; H24-V86 PolarHBondContact O-N 2.98Å; H24-F156 AromaticContact CE1-CD2 3.14Å; H24-F156 WeakPolarHBondContact CE1-CD2 3.43Å; H24-F156 AromaticContact CE1-CE2 3.36Å; H24-F156 WeakPolarHBondContact CE1-CE2 3.46Å; H24-F156 AromaticContact CE1-CG 3.67Å; H24-F156 AromaticContact ND1-CD2 3.27Å; H24-F156 VanDerWaalsContact ND1-CD2 3.27Å; H24-F156 WeakPolarHBondContact ND1-CD2 3.34Å; H24-F156 AromaticContact ND1-CE2 3.97Å; H24-F156 AromaticContact ND1-CG 3.44Å; H24-F156 WeakPolarHBondContact ND1-CG 3.22Å
25	V	98.2	Very high	89.4	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.3	-169.8	-173.9	0	0	0	0	111.8	V23 G29 V86 F156 H157 T163 F167 T168 L171	V23-V25 HydrophobicContact CG1-CG2 3.74Å; V25-G29 PolarHBondContact O-N 2.99Å; V25-V86 WeakPolarHBondContact CA-O 3.33Å; V25-F156 PolarHBondContact N-O 3.06Å; V25-H157 HydrophobicContact CB-CB 4.39Å; V25-T163 HydrophobicContact CG1-CG2 3.94Å; V25-F167 HydrophobicContact CG1-CD1 3.71Å; V25-F167 HydrophobicContact CG1-CE1 4.39Å; V25-T168 WeakPolarHBondContact CB-OG1 3.37Å; V25-T168 WeakPolarHBondContact CG1-OG1 3.47Å; V25-L171 HydrophobicContact CG2-CD2 4.2Å
26	G	96.5	Very high	91.7	Very high	2 Å²	2	22 Å²	22	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	69.5	179.2	-179.5	0	0	0	0	0	113.5	A28 G29 C30 V86 D87	G26-A28 PolarHBondContact O-N 3.23Å; G26-G29 PolarHBondContact O-N 2.88Å; G26-C30 WeakPolarHBondContact O-CB 3.46Å; G26-C30 PolarHBondContact O-N 3.01Å; G26-C30 PolarHBondContact O-SG 2.94Å; G26-C30 VanDerWaalsContact O-SG 3.33Å; G26-V86 PolarHBondContact N-O 3.24Å; G26-D87 WeakPolarHBondContact CA-OD2 3.34Å
27	Q	95	Very high	93.9	Very high	104 Å²	104	18.3 Å²	18.3	49%	0.486	9%	0.087	S	C	.	.	H	α-helix	trans	-50.7	-51.9	-176.5	176.2	174.6	-31.6	0	0	114.2	Q31 D87 V92	Q27-Q31 WeakPolarHBondContact O-CB 3.17Å; Q27-Q31 WeakPolarHBondContact O-CG 3.31Å; Q27-Q31 PolarHBondContact O-N 2.77Å; Q27-Q31 VanDerWaalsContact O-N 3.11Å; Q27-D87 PolarHBondContact N-OD2 3.06Å; Q27-V92 HydrophobicContact CB-CG2 3.93Å; Q27-V92 HydrophobicContact CG-CG2 3.87Å
28	A	95	Very high	95.5	Very high	27 Å²	27	18.6 Å²	18.6	22%	0.223	9%	0.089	C	C	.	.	H	α-helix	trans	-65.6	-46.3	-177.7	0	0	0	0	0	111.8	G26 Q31 I32	G26-A28 PolarHBondContact O-N 3.23Å; A28-Q31 PolarHBondContact O-N 3.44Å; A28-I32 WeakPolarHBondContact O-CD1 3.41Å; A28-I32 VanDerWaalsContact O-CG1 3.27Å; A28-I32 WeakPolarHBondContact O-CG1 3.31Å; A28-I32 PolarHBondContact O-N 3.21Å
29	G	97.3	Very high	96.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.6	-49.4	179.6	0	0	0	0	0	111.9	H24 V25 G26 Q31 I32 G33 F156	H24-G29 PolarHBondContact ND1-O 3.11Å; V25-G29 PolarHBondContact O-N 2.99Å; G26-G29 PolarHBondContact O-N 2.88Å; G29-Q31 PolarHBondContact O-N 3.27Å; G29-I32 PolarHBondContact O-N 3.37Å; G29-G33 PolarHBondContact O-N 3.14Å; G29-F156 WeakPolarHBondContact CA-O 3.28Å
30	C	97.3	Very high	96.4	Very high	1 Å²	1	15 Å²	15	1%	0.007	8%	0.075	C	C	.	.	H	α-helix	trans	-61.6	-42.4	178.9	-68	0	0	0	0	113	G26 G33 E34 F85 V92	G26-C30 WeakPolarHBondContact O-CB 3.46Å; G26-C30 PolarHBondContact O-N 3.01Å; G26-C30 PolarHBondContact O-SG 2.94Å; G26-C30 VanDerWaalsContact O-SG 3.33Å; C30-G33 PolarHBondContact O-N 2.94Å; C30-E34 PolarHBondContact O-N 2.9Å; C30-F85 HydrophobicContact CB-CD1 4.05Å; C30-V92 HydrophobicContact CB-CB 4.46Å; C30-V92 HydrophobicContact CB-CG1 3.52Å
31	Q	96.3	Very high	96.5	Very high	43 Å²	43	15.2 Å²	15.2	20%	0.201	8%	0.077	C	C	.	.	H	α-helix	trans	-69.2	-37	179.4	-71.7	176.3	7.8	0	0	112.9	Q27 A28 G29 V92 N246	Q27-Q31 WeakPolarHBondContact O-CB 3.17Å; Q27-Q31 WeakPolarHBondContact O-CG 3.31Å; Q27-Q31 PolarHBondContact O-N 2.77Å; Q27-Q31 VanDerWaalsContact O-N 3.11Å; A28-Q31 PolarHBondContact O-N 3.44Å; G29-Q31 PolarHBondContact O-N 3.27Å; Q31-V92 HydrophobicContact CG-CG1 4.07Å; Q31-N246 WeakPolarHBondContact CB-ND2 3.47Å
32	I	97.5	Very high	96.3	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-65.4	-45.9	172	-68.5	164	0	0	0	109.4	A28 G29 E34 K35 C36 F156 I189 N246 V249	A28-I32 WeakPolarHBondContact O-CD1 3.41Å; A28-I32 VanDerWaalsContact O-CG1 3.27Å; A28-I32 WeakPolarHBondContact O-CG1 3.31Å; A28-I32 PolarHBondContact O-N 3.21Å; G29-I32 PolarHBondContact O-N 3.37Å; I32-E34 VanDerWaalsContact C-N 3.34Å; I32-E34 PolarHBondContact O-N 3.11Å; I32-K35 PolarHBondContact O-N 3.31Å; I32-K35 VanDerWaalsContact O-N 3.09Å; I32-C36 PolarHBondContact O-N 3.28Å; I32-C36 PolarHBondContact O-SG 2.98Å; I32-C36 VanDerWaalsContact O-SG 3.37Å; I32-F156 HydrophobicContact CG2-CD1 3.81Å; I32-F156 HydrophobicContact CG2-CE1 4.3Å; I32-I189 HydrophobicContact CD1-CD1 3.87Å; I32-I189 HydrophobicContact CD1-CG1 3.61Å; I32-N246 HydrophobicContact CG1-CB 4.41Å; I32-N246 WeakPolarHBondContact CG1-OD1 3.41Å; I32-V249 HydrophobicContact CD1-CG1 4.43Å; I32-V249 HydrophobicContact CG2-CB 4.45Å; I32-V249 HydrophobicContact CG2-CG1 3.72Å
33	G	97	Very high	96	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-54	-45.9	179.3	0	0	0	0	0	113.6	H24 G29 C30 K35 C36 W37	H24-G33 WeakPolarHBondContact CE1-CA 3.19Å; H24-G33 WeakPolarHBondContact ND1-CA 3.27Å; G29-G33 PolarHBondContact O-N 3.14Å; C30-G33 PolarHBondContact O-N 2.94Å; G33-K35 VanDerWaalsContact C-N 3.31Å; G33-K35 PolarHBondContact O-N 2.98Å; G33-C36 WeakPolarHBondContact O-CB 3.43Å; G33-C36 PolarHBondContact O-N 3.46Å; G33-W37 PolarHBondContact O-N 3.22Å
34	E	96	Very high	95.7	Very high	52 Å²	52	19.1 Å²	19.1	24%	0.243	10%	0.097	C	C	.	.	H	α-helix	trans	-54.5	-46.5	176.5	-173.2	-174	-142.6	0	0	111.8	C30 I32 W37 E38	C30-E34 PolarHBondContact O-N 2.9Å; I32-E34 VanDerWaalsContact C-N 3.34Å; I32-E34 PolarHBondContact O-N 3.11Å; E34-W37 PolarHBondContact O-N 3.42Å; E34-E38 WeakPolarHBondContact O-CB 3.43Å; E34-E38 PolarHBondContact O-N 2.88Å
35	K	96.3	Very high	95.3	Very high	25 Å²	25	21.3 Å²	21.3	11%	0.109	11%	0.107	C	C	.	.	H	α-helix	trans	-71.3	-34.9	-179.6	-54	-60.6	151.5	179.3	0	112.5	I32 G33 L39 D243 N246 A250	I32-K35 PolarHBondContact O-N 3.31Å; I32-K35 VanDerWaalsContact O-N 3.09Å; G33-K35 VanDerWaalsContact C-N 3.31Å; G33-K35 PolarHBondContact O-N 2.98Å; K35-L39 WeakPolarHBondContact O-CB 3.39Å; K35-L39 PolarHBondContact O-N 2.83Å; K35-L39 VanDerWaalsContact O-N 3.14Å; K35-D243 WeakPolarHBondContact CE-OD1 3.32Å; K35-D243 IonicContact NZ-OD1 2.68Å; K35-D243 PolarHBondContact NZ-OD1 3.47Å; K35-N246 HydrophobicContact CB-CB 4.38Å; K35-N246 HydrophobicContact CG-CB 3.8Å; K35-A250 HydrophobicContact CB-CB 4.12Å
36	C	96.8	Very high	95	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.007	11%	0.109	C	C	.	.	H	α-helix	trans	-62.6	-47.8	173.5	-69.9	0	0	0	0	111.4	I32 G33 L39 Y40	I32-C36 PolarHBondContact O-N 3.28Å; I32-C36 PolarHBondContact O-SG 2.98Å; I32-C36 VanDerWaalsContact O-SG 3.37Å; G33-C36 WeakPolarHBondContact O-CB 3.43Å; G33-C36 PolarHBondContact O-N 3.46Å; C36-L39 WeakPolarHBondContact O-CB 3.49Å; C36-L39 PolarHBondContact O-N 2.97Å; C36-Y40 WeakPolarHBondContact O-CD1 3.49Å; C36-Y40 PolarHBondContact O-N 3.47Å
37	W	96.6	Very high	94.8	Very high	1 Å²	1	23 Å²	23	0%	0.004	12%	0.116	C	C	.	.	H	α-helix	trans	-71.2	-35.9	-178.4	-73.5	113.3	0	0	0	113	H24 G33 E34 L39 Y40 C41 H70 F71 P81 A83 F85 L101 F105	H24-W37 AromaticContact CD2-NE1 3.85Å; H24-W37 AromaticContact CE1-NE1 3.99Å; H24-W37 AromaticContact NE2-CD1 3.88Å; H24-W37 AromaticContact NE2-NE1 3.12Å; H24-W37 PolarHBondContact NE2-NE1 3Å; H24-W37 VanDerWaalsContact NE2-NE1 3.12Å; G33-W37 PolarHBondContact O-N 3.22Å; E34-W37 PolarHBondContact O-N 3.42Å; W37-L39 VanDerWaalsContact C-N 3.29Å; W37-L39 PolarHBondContact O-N 2.85Å; W37-Y40 HydrophobicContact CD2-CD2 4.28Å; W37-Y40 AromaticContact CE3-CD2 3.71Å; W37-Y40 HydrophobicContact CE3-CD2 3.71Å; W37-Y40 HydrophobicContact CE3-CG 4.46Å; W37-Y40 HydrophobicContact CH2-CD2 4.28Å; W37-Y40 AromaticContact CZ3-CD2 3.71Å; W37-Y40 HydrophobicContact CZ3-CD2 3.71Å; W37-Y40 HydrophobicContact CZ3-CE2 4.43Å; W37-Y40 PolarHBondContact O-N 2.99Å; W37-C41 WeakPolarHBondContact O-CB 3.32Å; W37-C41 PolarHBondContact O-N 3.24Å; W37-C41 PolarHBondContact O-SG 2.94Å; W37-C41 VanDerWaalsContact O-SG 3.35Å; W37-H70 HydrophobicContact CH2-CB 4.1Å; W37-H70 WeakPolarHBondContact CH2-O 3.3Å; W37-H70 HydrophobicContact CZ3-CB 4.26Å; W37-F71 HydrophobicContact CE3-CE1 4.18Å; W37-F71 AromaticContact CE3-CZ 3.94Å; W37-F71 HydrophobicContact CE3-CZ 3.94Å; W37-F71 AromaticContact CZ3-CE1 3.98Å; W37-F71 HydrophobicContact CZ3-CE1 3.98Å; W37-F71 HydrophobicContact CZ3-CE2 4.07Å; W37-F71 AromaticContact CZ3-CZ 3.73Å; W37-F71 HydrophobicContact CZ3-CZ 3.73Å; W37-P81 HydrophobicContact CD2-CB 4.03Å; W37-P81 HydrophobicContact CD2-CG 4.23Å; W37-P81 HydrophobicContact CE3-CB 3.76Å; W37-P81 HydrophobicContact CE3-CG 3.82Å; W37-P81 HydrophobicContact CH2-CB 3.63Å; W37-P81 HydrophobicContact CZ2-CB 3.88Å; W37-P81 HydrophobicContact CZ3-CB 3.55Å; W37-P81 HydrophobicContact CZ3-CG 3.98Å; W37-A83 HydrophobicContact CH2-CB 4.4Å; W37-A83 HydrophobicContact CZ2-CB 3.46Å; W37-A83 VanDerWaalsContact CZ2-CB 3.46Å; W37-F85 AromaticContact CD1-CZ 3.84Å; W37-L101 HydrophobicContact CB-CD1 4.38Å; W37-F105 HydrophobicContact CB-CE1 4.06Å; W37-F105 HydrophobicContact CB-CZ 3.69Å; W37-F105 AromaticContact CD1-CE1 3.59Å; W37-F105 AromaticContact CD1-CZ 3.72Å; W37-F105 HydrophobicContact CD2-CE1 4.1Å; W37-F105 AromaticContact CG-CE1 3.65Å; W37-F105 HydrophobicContact CG-CE1 3.65Å; W37-F105 AromaticContact CG-CZ 3.74Å; W37-F105 HydrophobicContact CG-CZ 3.74Å; W37-F105 AromaticContact NE1-CE1 3.99Å
38	E	95.8	Very high	94.6	Very high	50 Å²	50	20.1 Å²	20.1	23%	0.234	11%	0.109	C	C	.	.	H	α-helix	trans	-57	-45.1	169.9	-172.9	-177.3	171	0	0	111.4	E34 C41 L42 L101 R247 V381	E34-E38 WeakPolarHBondContact O-CB 3.43Å; E34-E38 PolarHBondContact O-N 2.88Å; E38-C41 PolarHBondContact O-N 3.47Å; E38-L42 WeakPolarHBondContact O-CG 3.45Å; E38-L42 PolarHBondContact O-N 3.14Å; E38-L42 VanDerWaalsContact O-N 3.17Å; E38-L101 HydrophobicContact CB-CD1 4.03Å; E38-R247 VanDerWaalsContact CD-NH2 3.25Å; E38-R247 IonicContact OE1-CZ 3.54Å; E38-R247 IonicContact OE1-NH1 3.12Å; E38-R247 PolarHBondContact OE1-NH1 3.01Å; E38-R247 IonicContact OE1-NH2 3.49Å; E38-R247 PolarHBondContact OE1-NH2 3.2Å; E38-R247 IonicContact OE2-CZ 2.61Å; E38-R247 IonicContact OE2-NH1 3.54Å; E38-R247 PolarHBondContact OE2-NH1 3.16Å; E38-R247 IonicContact OE2-NH2 3.39Å; E38-R247 PolarHBondContact OE2-NH2 2.75Å; E38-V381 HydrophobicContact CG-CG1 4.41Å; E38-V381 WeakPolarHBondContact OE1-CG1 3.26Å
39	L	95.3	Very high	94.4	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-64.8	-45.1	176.1	178.1	58.4	0	0	0	111.8	K35 C36 W37 C41 L42 E43 A250 T379 V381	K35-L39 WeakPolarHBondContact O-CB 3.39Å; K35-L39 PolarHBondContact O-N 2.83Å; K35-L39 VanDerWaalsContact O-N 3.14Å; C36-L39 WeakPolarHBondContact O-CB 3.49Å; C36-L39 PolarHBondContact O-N 2.97Å; W37-L39 VanDerWaalsContact C-N 3.29Å; W37-L39 PolarHBondContact O-N 2.85Å; L39-C41 VanDerWaalsContact C-N 3.34Å; L39-C41 PolarHBondContact O-N 3.37Å; L39-L42 PolarHBondContact O-N 3.27Å; L39-E43 HydrophobicContact CD1-CG 4.08Å; L39-E43 HydrophobicContact CG-CG 4.35Å; L39-E43 WeakPolarHBondContact O-CG 3.36Å; L39-E43 PolarHBondContact O-N 3.1Å; L39-A250 HydrophobicContact CD2-CB 4.25Å; L39-A250 WeakPolarHBondContact CD2-O 3.25Å; L39-T379 HydrophobicContact CD1-CG2 4.4Å; L39-T379 VanDerWaalsContact CD1-O 3.23Å; L39-T379 WeakPolarHBondContact CD1-O 3.49Å; L39-V381 HydrophobicContact CB-CG2 4.31Å; L39-V381 HydrophobicContact CD1-CG2 3.97Å
40	Y	94.7	Very high	94.2	Very high	3 Å²	3	21.4 Å²	21.4	1%	0.012	11%	0.112	C	C	.	.	H	α-helix	trans	-61.4	-41.5	177.9	-70.4	-3.3	0	0	0	112.1	C36 W37 L42 E43 H44 H70 V253 T257	C36-Y40 WeakPolarHBondContact O-CD1 3.49Å; C36-Y40 PolarHBondContact O-N 3.47Å; W37-Y40 HydrophobicContact CD2-CD2 4.28Å; W37-Y40 AromaticContact CE3-CD2 3.71Å; W37-Y40 HydrophobicContact CE3-CD2 3.71Å; W37-Y40 HydrophobicContact CE3-CG 4.46Å; W37-Y40 HydrophobicContact CH2-CD2 4.28Å; W37-Y40 AromaticContact CZ3-CD2 3.71Å; W37-Y40 HydrophobicContact CZ3-CD2 3.71Å; W37-Y40 HydrophobicContact CZ3-CE2 4.43Å; W37-Y40 PolarHBondContact O-N 2.99Å; Y40-L42 VanDerWaalsContact C-N 3.31Å; Y40-L42 PolarHBondContact O-N 3.39Å; Y40-E43 PolarHBondContact O-N 3.44Å; Y40-H44 WeakPolarHBondContact O-CB 3.42Å; Y40-H44 PolarHBondContact O-CD2 3.35Å; Y40-H44 PolarHBondContact O-N 2.84Å; Y40-H70 AromaticContact CE2-CD2 3.81Å; Y40-V253 WeakPolarHBondContact OH-CG1 3.27Å; Y40-T257 WeakPolarHBondContact OH-CG2 3.41Å; Y40-T257 PolarHBondContact OH-OG1 3.35Å
41	C	94	Very high	93.9	Very high	6 Å²	6	25 Å²	25	4%	0.041	13%	0.129	C	C	.	.	H	α-helix	trans	-57.6	-45.1	174.3	-77.6	0	0	0	0	111.6	W37 E38 L39 H44 Q45 I46 L104	W37-C41 WeakPolarHBondContact O-CB 3.32Å; W37-C41 PolarHBondContact O-N 3.24Å; W37-C41 PolarHBondContact O-SG 2.94Å; W37-C41 VanDerWaalsContact O-SG 3.35Å; E38-C41 PolarHBondContact O-N 3.47Å; L39-C41 VanDerWaalsContact C-N 3.34Å; L39-C41 PolarHBondContact O-N 3.37Å; C41-H44 PolarHBondContact O-N 2.98Å; C41-Q45 WeakPolarHBondContact O-CA 3.42Å; C41-Q45 PolarHBondContact O-N 3.27Å; C41-I46 HydrophobicContact CB-CB 4.43Å; C41-I46 WeakPolarHBondContact CB-O 3.24Å; C41-I46 PolarHBondContact O-N 2.92Å; C41-L104 WeakPolarHBondContact SG-CD2 3.42Å
42	L	92.9	Very high	93.4	Very high	73 Å²	73	26.1 Å²	26.1	38%	0.382	13%	0.132	S	C	.	.	H	α-helix	trans	-65.6	-43.6	176.8	-68.1	171.8	0	0	0	112.4	E38 L39 Y40 H44 Q45 T379 V381	E38-L42 WeakPolarHBondContact O-CG 3.45Å; E38-L42 PolarHBondContact O-N 3.14Å; E38-L42 VanDerWaalsContact O-N 3.17Å; L39-L42 PolarHBondContact O-N 3.27Å; Y40-L42 VanDerWaalsContact C-N 3.31Å; Y40-L42 PolarHBondContact O-N 3.39Å; L42-H44 VanDerWaalsContact C-N 3.29Å; L42-H44 PolarHBondContact O-N 2.94Å; L42-Q45 PolarHBondContact O-N 3.07Å; L42-T379 HydrophobicContact CB-CG2 3.82Å; L42-V381 HydrophobicContact CD1-CB 4.15Å; L42-V381 HydrophobicContact CD1-CG1 3.92Å; L42-V381 HydrophobicContact CD1-CG2 3.97Å
43	E	91.8	Very high	92.8	Very high	4 Å²	4	32 Å²	32	2%	0.019	16%	0.157	C	C	.	.	H	α-helix	trans	-64.7	-33.8	179.5	-70.7	-176.2	137.6	0	0	112.8	L39 Y40 S254 R261 F262 R338 Q376 T379	L39-E43 HydrophobicContact CD1-CG 4.08Å; L39-E43 HydrophobicContact CG-CG 4.35Å; L39-E43 WeakPolarHBondContact O-CG 3.36Å; L39-E43 PolarHBondContact O-N 3.1Å; Y40-E43 PolarHBondContact O-N 3.44Å; E43-S254 PolarHBondContact OE1-OG 3.21Å; E43-S254 PolarHBondContact OE2-OG 3.48Å; E43-R261 IonicContact OE2-CZ 2.69Å; E43-R261 IonicContact OE2-NH1 3.88Å; E43-R261 PolarHBondContact OE2-NH1 2.67Å; E43-R261 IonicContact OE2-NH2 3.43Å; E43-R261 PolarHBondContact OE2-NH2 3.06Å; E43-F262 HydrophobicContact CB-CE2 4.48Å; E43-F262 HydrophobicContact CB-CZ 3.73Å; E43-F262 HydrophobicContact CG-CZ 4.43Å; E43-R338 IonicContact OE1-CZ 2.8Å; E43-R338 IonicContact OE1-NH1 3.31Å; E43-R338 IonicContact OE1-NH2 2.7Å; E43-R338 PolarHBondContact OE1-NH2 3.28Å; E43-Q376 PolarHBondContact O-NE2 2.91Å; E43-Q376 VanDerWaalsContact O-NE2 3.14Å; E43-T379 HydrophobicContact CG-CG2 4.36Å; E43-T379 WeakPolarHBondContact CG-OG1 3.23Å
44	H	90.3	Very high	91.7	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.028	18%	0.178	C	C	.	.	H	α-helix	trans	-97.6	1.2	-178.7	-72.8	-73.6	0	0	0	114	Y40 C41 L42 I46 W52 L67 F71 R261 F262	Y40-H44 WeakPolarHBondContact O-CB 3.42Å; Y40-H44 PolarHBondContact O-CD2 3.35Å; Y40-H44 PolarHBondContact O-N 2.84Å; C41-H44 PolarHBondContact O-N 2.98Å; L42-H44 VanDerWaalsContact C-N 3.29Å; L42-H44 PolarHBondContact O-N 2.94Å; H44-I46 VanDerWaalsContact C-N 3.3Å; H44-I46 HydrophobicContact CB-CD1 3.96Å; H44-I46 HydrophobicContact CB-CG1 4.23Å; H44-I46 PolarHBondContact O-N 3.05Å; H44-W52 VanDerWaalsContact O-CD1 3.32Å; H44-W52 PolarHBondContact O-NE1 3.43Å; H44-L67 HydrophobicContact CB-CD2 3.59Å; H44-F71 AromaticContact CD2-CE2 3.91Å; H44-R261 PolarHBondContact NE2-NH1 2.86Å; H44-R261 VanDerWaalsContact NE2-NH1 3.16Å; H44-F262 AromaticContact CE1-CE1 3.52Å; H44-F262 AromaticContact CE1-CZ 3.8Å; H44-F262 AromaticContact ND1-CE1 3.91Å; H44-F262 AromaticContact NE2-CE1 3.96Å; H44-F262 AromaticContact NE2-CZ 3.75Å
45	Q	89.9	Confident	90.4	Very high	47 Å²	47	38.6 Å²	38.6	22%	0.22	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	41.8	-179.8	-50.6	175.4	33.5	0	0	112.5	C41 L42 K53 P54 T55	C41-Q45 WeakPolarHBondContact O-CA 3.42Å; C41-Q45 PolarHBondContact O-N 3.27Å; L42-Q45 PolarHBondContact O-N 3.07Å; Q45-K53 PolarHBondContact O-N 3.46Å; Q45-P54 VanDerWaalsContact OE1-CA 3.24Å; Q45-T55 PolarHBondContact OE1-OG1 3.35Å; Q45-T55 VanDerWaalsContact OE1-OG1 3.11Å
46	I	92.2	Very high	88.5	Confident	9 Å²	9	42.8 Å²	42.8	5%	0.046	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-100.4	130.2	173.3	-65.3	165.9	0	0	0	107.9	C41 H44 L67 F71 M79 L104	C41-I46 HydrophobicContact CB-CB 4.43Å; C41-I46 WeakPolarHBondContact CB-O 3.24Å; C41-I46 PolarHBondContact O-N 2.92Å; H44-I46 VanDerWaalsContact C-N 3.3Å; H44-I46 HydrophobicContact CB-CD1 3.96Å; H44-I46 HydrophobicContact CB-CG1 4.23Å; H44-I46 PolarHBondContact O-N 3.05Å; I46-L67 HydrophobicContact CD1-CD2 3.54Å; I46-L67 HydrophobicContact CG1-CD2 4.35Å; I46-F71 HydrophobicContact CD1-CD1 3.89Å; I46-F71 HydrophobicContact CD1-CD2 4.14Å; I46-F71 HydrophobicContact CD1-CE1 3.69Å; I46-F71 HydrophobicContact CD1-CE2 3.98Å; I46-F71 HydrophobicContact CD1-CG 4.11Å; I46-F71 HydrophobicContact CD1-CZ 3.74Å; I46-M79 HydrophobicContact CD1-CB 3.74Å; I46-M79 HydrophobicContact CD1-CG 4.08Å; I46-M79 HydrophobicContact CG1-CB 4.31Å; I46-M79 HydrophobicContact CG1-CG 4.35Å; I46-M79 HydrophobicContact CG2-CB 4.49Å; I46-L104 HydrophobicContact CG2-CD1 4.15Å
47	D	92.4	Very high	86.2	Confident	30 Å²	30	48.2 Å²	48.2	16%	0.16	27%	0.27	C	S	.	.			trans	-77.2	172	173.5	71.6	19.6	0	0	0	112.6	D49 G50 H51 K53	D47-D49 PolarHBondContact O-N 3.29Å; D47-D49 VanDerWaalsContact O-N 3.09Å; D47-D49 WeakPolarHBondContact OD1-CA 3.47Å; D47-D49 PolarHBondContact OD1-N 3.16Å; D47-G50 PolarHBondContact O-N 2.64Å; D47-G50 PolarHBondContact OD1-N 3.17Å; D47-H51 PolarHBondContact N-O 3.09Å; D47-H51 IonicContact OD1-CG 3.71Å; D47-H51 PolarHBondContact OD1-N 3.45Å; D47-H51 IonicContact OD1-ND1 2.88Å; D47-H51 PolarHBondContact OD1-ND1 2.73Å; D47-H51 IonicContact OD2-ND1 4Å; D47-K53 HydrophobicContact CB-CD 4.47Å; D47-K53 WeakPolarHBondContact OD2-CE 3.03Å; D47-K53 IonicContact OD2-NZ 2.69Å; D47-K53 PolarHBondContact OD2-NZ 2.65Å
48	A	91.6	Very high	83.9	Confident	42 Å²	42	50.9 Å²	50.9	35%	0.347	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.2	-177.2	0	0	0	0	0	114.3	L101	A48-L101 HydrophobicContact CB-CD2 3.95Å
49	D	91.3	Very high	81.6	Confident	53 Å²	53	55.2 Å²	55.2	28%	0.283	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	3.7	176.6	-64.7	-60.3	0	0	0	112.2	D47 H51 Q78 R103	D47-D49 PolarHBondContact O-N 3.29Å; D47-D49 VanDerWaalsContact O-N 3.09Å; D47-D49 WeakPolarHBondContact OD1-CA 3.47Å; D47-D49 PolarHBondContact OD1-N 3.16Å; D49-H51 WeakPolarHBondContact CB-ND1 3.43Å; D49-Q78 PolarHBondContact O-NE2 3.44Å; D49-R103 WeakPolarHBondContact OD1-CD 3.47Å; D49-R103 IonicContact OD1-CZ 2.87Å; D49-R103 IonicContact OD1-NE 3.66Å; D49-R103 IonicContact OD1-NH1 3.51Å; D49-R103 PolarHBondContact OD1-NH1 3.47Å
50	G	91.6	Very high	79.3	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.01	33%	0.328	C	S	.	.	S	Bend	trans	83.3	9.7	-180	0	0	0	0	0	114.6	D47 Q78 M79	D47-G50 PolarHBondContact O-N 2.64Å; D47-G50 PolarHBondContact OD1-N 3.17Å; G50-Q78 CarbonylContact O-C 3.18Å; G50-Q78 WeakPolarHBondContact O-CA 3.4Å; G50-M79 PolarHBondContact O-N 3.37Å
51	H	91.6	Very high	77.1	Confident	77 Å²	77	61.3 Å²	61.3	36%	0.356	35%	0.352	S	S	.	.			trans	-84.5	127.7	177.6	-54.9	93.9	0	0	0	110.8	D47 D49 K53	D47-H51 PolarHBondContact N-O 3.09Å; D47-H51 IonicContact OD1-CG 3.71Å; D47-H51 PolarHBondContact OD1-N 3.45Å; D47-H51 IonicContact OD1-ND1 2.88Å; D47-H51 PolarHBondContact OD1-ND1 2.73Å; D47-H51 IonicContact OD2-ND1 4Å; D49-H51 WeakPolarHBondContact CB-ND1 3.43Å; H51-K53 PolarHBondContact O-N 3.17Å
52	W	86.3	Confident	75.1	Confident	67 Å²	67	64.6 Å²	64.6	25%	0.254	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-74.4	118.4	173.2	-174.4	42.8	0	0	0	110.7	H44 P54 L63 V64 L67 M79	H44-W52 VanDerWaalsContact O-CD1 3.32Å; H44-W52 PolarHBondContact O-NE1 3.43Å; W52-P54 HydrophobicContact CZ2-CB 4.4Å; W52-P54 HydrophobicContact CZ2-CG 4.46Å; W52-L63 HydrophobicContact CZ2-CB 4.44Å; W52-V64 HydrophobicContact CH2-CG2 3.35Å; W52-V64 HydrophobicContact CZ2-CG2 4.18Å; W52-V64 HydrophobicContact CZ3-CG2 3.64Å; W52-L67 HydrophobicContact CD2-CD1 4.34Å; W52-L67 HydrophobicContact CZ2-CD1 4.48Å; W52-M79 HydrophobicContact CB-CG 4.34Å
53	K	84.1	Confident	73.3	Confident	125 Å²	125	62.5 Å²	62.5	54%	0.543	36%	0.361	S	S	.	.			trans	-124.7	79.6	-177.7	-72.5	179.5	174.3	158.4	0	110.4	Q45 D47 H51 T55	Q45-K53 PolarHBondContact O-N 3.46Å; D47-K53 HydrophobicContact CB-CD 4.47Å; D47-K53 WeakPolarHBondContact OD2-CE 3.03Å; D47-K53 IonicContact OD2-NZ 2.69Å; D47-K53 PolarHBondContact OD2-NZ 2.65Å; H51-K53 PolarHBondContact O-N 3.17Å; K53-T55 PolarHBondContact O-N 3.28Å; K53-T55 VanDerWaalsContact O-N 3.12Å
54	P	75	Confident	71.6	Confident	66 Å²	66	64 Å²	64	43%	0.429	37%	0.371	S	S	.	.			trans	-63.2	117.8	177.5	25.6	-32.5	0	0	0	110.1	Q45 W52	Q45-P54 VanDerWaalsContact OE1-CA 3.24Å; W52-P54 HydrophobicContact CZ2-CB 4.4Å; W52-P54 HydrophobicContact CZ2-CG 4.46Å
55	T	68.3	Low	70.1	Confident	124 Å²	124	65.1 Å²	65.1	76%	0.761	38%	0.377	S	S	*	.			trans	-85.2	-24.5	175.6	40.1	0	0	0	0	112.2	Q45 K53	Q45-T55 PolarHBondContact OE1-OG1 3.35Å; Q45-T55 VanDerWaalsContact OE1-OG1 3.11Å; K53-T55 PolarHBondContact O-N 3.28Å; K53-T55 VanDerWaalsContact O-N 3.12Å
56	L	55.6	Low	69.1	Low	112 Å²	112	63.2 Å²	63.2	59%	0.586	37%	0.369	S	S	*	.	S	Bend	trans	-103	141.9	174.7	-69.1	162.8	0	0	0	109.7	T58	L56-T58 HydrophobicContact CB-CG2 3.9Å; L56-T58 HydrophobicContact CD1-CG2 4.38Å; L56-T58 PolarHBondContact O-N 3.23Å; L56-T58 PolarHBondContact O-OG1 2.64Å
57	A	47.9	Very low	68.6	Low	115 Å²	115	63 Å²	63	95%	0.95	37%	0.368	S	S	*	.			trans	-70.9	57.3	159.1	0	0	0	0	0	109.3
58	T	49.6	Very low	68.3	Low	58 Å²	58	64 Å²	64	36%	0.356	37%	0.371	S	S	.	.			trans	-72.1	136.6	168.7	29.5	0	0	0	0	108.1	L56 G60 L63	L56-T58 HydrophobicContact CB-CG2 3.9Å; L56-T58 HydrophobicContact CD1-CG2 4.38Å; L56-T58 PolarHBondContact O-N 3.23Å; L56-T58 PolarHBondContact O-OG1 2.64Å; T58-G60 VanDerWaalsContact O-CA 3.28Å; T58-G60 WeakPolarHBondContact O-CA 3.29Å; T58-G60 PolarHBondContact O-N 3.17Å; T58-L63 HydrophobicContact CG2-CD1 4.44Å; T58-L63 VanDerWaalsContact OG1-CD1 3.31Å; T58-L63 WeakPolarHBondContact OG1-CD1 3.46Å
59	D	47.1	Very low	68.2	Low	141 Å²	141	62.1 Å²	62.1	75%	0.754	36%	0.356	S	S	*	.			trans	-44.3	97	178	-74	-34	0	0	0	110.7	D61 T62	D59-D61 PolarHBondContact O-N 3Å; D59-T62 PolarHBondContact O-N 3.35Å; D59-T62 PolarHBondContact O-OG1 3.4Å; D59-T62 VanDerWaalsContact O-OG1 3.14Å
60	G	47.3	Very low	68.2	Low	34 Å²	34	59.6 Å²	59.6	35%	0.351	34%	0.342	S	S	.	.	H	α-helix	trans	-67.7	-7.2	-156.9	0	0	0	0	0	115.1	T58 V64	T58-G60 VanDerWaalsContact O-CA 3.28Å; T58-G60 WeakPolarHBondContact O-CA 3.29Å; T58-G60 PolarHBondContact O-N 3.17Å; G60-V64 WeakPolarHBondContact O-CG2 3.47Å
61	D	48.6	Very low	68.3	Low	98 Å²	98	59.5 Å²	59.5	52%	0.524	34%	0.342	S	S	.	.	H	α-helix	trans	-82.7	-28	-179.8	-69.4	-17.1	0	0	0	112.4	R11 D59	R11-D61 IonicContact CZ-OD1 2.65Å; R11-D61 IonicContact NH1-OD1 3.73Å; R11-D61 PolarHBondContact NH1-OD1 2.98Å; R11-D61 IonicContact NH2-OD1 3.75Å; R11-D61 PolarHBondContact NH2-OD1 3.16Å; D59-D61 PolarHBondContact O-N 3Å
62	T	51.1	Low	68.2	Low	74 Å²	74	57.6 Å²	57.6	45%	0.454	33%	0.333	S	S	.	.	H	α-helix	trans	-83.6	-28.3	-175	51.7	0	0	0	0	114.8	D59	D59-T62 PolarHBondContact O-N 3.35Å; D59-T62 PolarHBondContact O-OG1 3.4Å; D59-T62 VanDerWaalsContact O-OG1 3.14Å
63	L	55.6	Low	68.4	Low	30 Å²	30	59.9 Å²	59.9	16%	0.157	35%	0.346	C	S	.	.	H	α-helix	trans	-79.6	-25.4	177.8	-71.8	169.4	0	0	0	112.6	W52 T58 S66 L67	W52-L63 HydrophobicContact CZ2-CB 4.44Å; T58-L63 HydrophobicContact CG2-CD1 4.44Å; T58-L63 VanDerWaalsContact OG1-CD1 3.31Å; T58-L63 WeakPolarHBondContact OG1-CD1 3.46Å; L63-S66 PolarHBondContact O-OG 2.9Å; L63-S66 VanDerWaalsContact O-OG 3.1Å; L63-L67 WeakPolarHBondContact O-CD1 3.22Å; L63-L67 VanDerWaalsContact O-CG 3.31Å; L63-L67 WeakPolarHBondContact O-CG 3.21Å; L63-L67 PolarHBondContact O-N 3.47Å
64	V	55.2	Low	68.6	Low	35 Å²	35	55.6 Å²	55.6	21%	0.212	33%	0.332	C	S	.	.	H	α-helix	trans	-73.3	-48.1	-177.9	176.7	0	0	0	0	111.2	W52 G60 S66 L67	W52-V64 HydrophobicContact CH2-CG2 3.35Å; W52-V64 HydrophobicContact CZ2-CG2 4.18Å; W52-V64 HydrophobicContact CZ3-CG2 3.64Å; G60-V64 WeakPolarHBondContact O-CG2 3.47Å; V64-S66 PolarHBondContact O-N 2.68Å; V64-S66 VanDerWaalsContact O-N 3.12Å; V64-L67 WeakPolarHBondContact O-CB 3.5Å; V64-L67 PolarHBondContact O-N 2.79Å
65	D	58.9	Low	69.1	Low	29 Å²	29	58 Å²	58	16%	0.155	36%	0.357	C	S	.	.	H	α-helix	trans	-60.8	-26.1	177.8	-78.9	12.1	0	0	0	112.1	T14 V15	T14-D65 WeakPolarHBondContact CA-OD2 3.32Å; T14-D65 PolarHBondContact N-OD2 3.01Å; T14-D65 PolarHBondContact OG1-OD2 3.04Å; V15-D65 HydrophobicContact CB-CB 4.06Å; V15-D65 HydrophobicContact CG2-CB 3.83Å; V15-D65 PolarHBondContact N-OD2 2.88Å
66	S	70.7	Confident	70	Confident	8 Å²	8	57.1 Å²	57.1	6%	0.056	35%	0.352	C	S	.	.	H	α-helix	trans	-86.5	-24.3	-175.8	91.5	0	0	0	0	113.3	L63 V64 S69 R261	L63-S66 PolarHBondContact O-OG 2.9Å; L63-S66 VanDerWaalsContact O-OG 3.1Å; V64-S66 PolarHBondContact O-N 2.68Å; V64-S66 VanDerWaalsContact O-N 3.12Å; S66-S69 PolarHBondContact O-OG 3Å; S66-R261 WeakPolarHBondContact CB-O 3.28Å; S66-R261 PolarHBondContact OG-O 3.35Å
67	L	81.5	Confident	71.5	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-65.7	-41.2	173.4	-86.1	162.4	0	0	0	112.7	H44 I46 W52 L63 V64 S69 H70 F71 M79	H44-L67 HydrophobicContact CB-CD2 3.59Å; I46-L67 HydrophobicContact CD1-CD2 3.54Å; I46-L67 HydrophobicContact CG1-CD2 4.35Å; W52-L67 HydrophobicContact CD2-CD1 4.34Å; W52-L67 HydrophobicContact CZ2-CD1 4.48Å; L63-L67 WeakPolarHBondContact O-CD1 3.22Å; L63-L67 VanDerWaalsContact O-CG 3.31Å; L63-L67 WeakPolarHBondContact O-CG 3.21Å; L63-L67 PolarHBondContact O-N 3.47Å; V64-L67 WeakPolarHBondContact O-CB 3.5Å; V64-L67 PolarHBondContact O-N 2.79Å; L67-S69 PolarHBondContact O-N 3.5Å; L67-S69 VanDerWaalsContact O-N 3.11Å; L67-H70 PolarHBondContact O-N 3.05Å; L67-F71 HydrophobicContact CD2-CD2 4.05Å; L67-F71 HydrophobicContact CD2-CE2 4.48Å; L67-F71 WeakPolarHBondContact O-CB 3.21Å; L67-F71 PolarHBondContact O-N 2.7Å; L67-M79 HydrophobicContact CB-CE 4.04Å; L67-M79 HydrophobicContact CD2-CE 4.39Å
68	E	85.5	Confident	73.5	Confident	50 Å²	50	50.5 Å²	50.5	23%	0.234	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.9	-172.7	-66.2	-174.8	160.6	0	0	113.9	Q17 H70 F71 R82	Q17-E68 PolarHBondContact NE2-OE2 2.89Å; E68-H70 VanDerWaalsContact C-N 3.27Å; E68-H70 PolarHBondContact O-N 2.9Å; E68-F71 CarbonylContact C-O 3.57Å; E68-F71 VanDerWaalsContact CA-O 3.26Å; E68-F71 WeakPolarHBondContact CA-O 3.26Å; E68-R82 PolarHBondContact O-NE 3.32Å
69	S	88.3	Confident	75.6	Confident	3 Å²	3	48.4 Å²	48.4	2%	0.021	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-37.7	177	64.3	0	0	0	0	112.7	R18 E19 V20 S66 L67 L260	R18-S69 WeakPolarHBondContact O-CB 3.32Å; E19-S69 WeakPolarHBondContact CA-O 3.42Å; V20-S69 PolarHBondContact N-O 3.43Å; S66-S69 PolarHBondContact O-OG 3Å; L67-S69 PolarHBondContact O-N 3.5Å; L67-S69 VanDerWaalsContact O-N 3.11Å; S69-L260 PolarHBondContact OG-O 3.25Å
70	H	92.1	Very high	77.8	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-16.5	-175.2	-70.4	69.9	0	0	0	113.1	W37 Y40 L67 E68 R82 R261	W37-H70 HydrophobicContact CH2-CB 4.1Å; W37-H70 WeakPolarHBondContact CH2-O 3.3Å; W37-H70 HydrophobicContact CZ3-CB 4.26Å; Y40-H70 AromaticContact CE2-CD2 3.81Å; L67-H70 PolarHBondContact O-N 3.05Å; E68-H70 VanDerWaalsContact C-N 3.27Å; E68-H70 PolarHBondContact O-N 2.9Å; H70-R82 PolarHBondContact O-N 3Å; H70-R261 WeakPolarHBondContact CE1-CG 3.25Å; H70-R261 WeakPolarHBondContact ND1-CD 3.2Å; H70-R261 WeakPolarHBondContact ND1-CG 3.23Å
71	F	93	Very high	80.1	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	152	177.9	-62.7	-94.8	0	0	0	110.4	W37 H44 I46 L67 E68 M79 V80 P81 R82	W37-F71 HydrophobicContact CE3-CE1 4.18Å; W37-F71 AromaticContact CE3-CZ 3.94Å; W37-F71 HydrophobicContact CE3-CZ 3.94Å; W37-F71 AromaticContact CZ3-CE1 3.98Å; W37-F71 HydrophobicContact CZ3-CE1 3.98Å; W37-F71 HydrophobicContact CZ3-CE2 4.07Å; W37-F71 AromaticContact CZ3-CZ 3.73Å; W37-F71 HydrophobicContact CZ3-CZ 3.73Å; H44-F71 AromaticContact CD2-CE2 3.91Å; I46-F71 HydrophobicContact CD1-CD1 3.89Å; I46-F71 HydrophobicContact CD1-CD2 4.14Å; I46-F71 HydrophobicContact CD1-CE1 3.69Å; I46-F71 HydrophobicContact CD1-CE2 3.98Å; I46-F71 HydrophobicContact CD1-CG 4.11Å; I46-F71 HydrophobicContact CD1-CZ 3.74Å; L67-F71 HydrophobicContact CD2-CD2 4.05Å; L67-F71 HydrophobicContact CD2-CE2 4.48Å; L67-F71 WeakPolarHBondContact O-CB 3.21Å; L67-F71 PolarHBondContact O-N 2.7Å; E68-F71 CarbonylContact C-O 3.57Å; E68-F71 VanDerWaalsContact CA-O 3.26Å; E68-F71 WeakPolarHBondContact CA-O 3.26Å; F71-M79 HydrophobicContact CB-CB 4.26Å; F71-M79 HydrophobicContact CB-CE 3.68Å; F71-M79 HydrophobicContact CD1-CB 4.08Å; F71-M79 HydrophobicContact CG-CB 4.4Å; F71-V80 CarbonylContact C-O 3.31Å; F71-V80 VanDerWaalsContact CA-O 3.3Å; F71-V80 WeakPolarHBondContact CA-O 3.37Å; F71-P81 HydrophobicContact CD1-CG 4.08Å; F71-P81 HydrophobicContact CE1-CG 3.82Å; F71-R82 PolarHBondContact O-NE 3.43Å
72	Q	91.2	Very high	82.4	Confident	36 Å²	36	36.9 Å²	36.9	17%	0.168	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.5	167.5	64.1	-176.7	-3.4	0	0	108.6	V80 S146	Q72-V80 HydrophobicContact CG-CB 3.9Å; Q72-V80 HydrophobicContact CG-CG1 4.41Å; Q72-V80 WeakPolarHBondContact CG-O 3.33Å; Q72-V80 PolarHBondContact N-O 2.8Å; Q72-V80 PolarHBondContact O-N 3.38Å; Q72-S146 PolarHBondContact OE1-OG 3.07Å
73	E	89.9	Confident	84.6	Confident	116 Å²	116	33.6 Å²	33.6	54%	0.542	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	122.9	173.7	-169	177.6	-174.4	0	0	109.3	M79	E73-M79 HydrophobicContact CB-SD 4.01Å; E73-M79 HydrophobicContact CG-SD 4.11Å
74	S	88.5	Confident	86.6	Confident	34 Å²	34	32.1 Å²	32.1	24%	0.238	20%	0.196	C	C	.	.			trans	-74.6	167	174.4	81.5	0	0	0	0	111	T76 G77 Q78	S74-T76 PolarHBondContact O-N 3.43Å; S74-T76 VanDerWaalsContact O-N 3.1Å; S74-T76 PolarHBondContact OG-N 2.7Å; S74-T76 PolarHBondContact OG-OG1 2.91Å; S74-G77 PolarHBondContact O-N 2.8Å; S74-Q78 WeakPolarHBondContact CB-O 3.33Å; S74-Q78 PolarHBondContact N-O 3.19Å; S74-Q78 WeakPolarHBondContact OG-CB 3.31Å; S74-Q78 PolarHBondContact OG-N 2.85Å; S74-Q78 VanDerWaalsContact OG-N 3.09Å; S74-Q78 PolarHBondContact OG-O 2.89Å
75	A	85.5	Confident	88.6	Confident	116 Å²	116	30.5 Å²	30.5	96%	0.959	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.2	174.3	0	0	0	0	0	113.9	G77	A75-G77 VanDerWaalsContact C-N 3.34Å
76	T	86.9	Confident	90.5	Very high	107 Å²	107	29.1 Å²	29.1	66%	0.656	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	0.5	176.4	55.4	0	0	0	0	113	S74 Q78	S74-T76 PolarHBondContact O-N 3.43Å; S74-T76 VanDerWaalsContact O-N 3.1Å; S74-T76 PolarHBondContact OG-N 2.7Å; S74-T76 PolarHBondContact OG-OG1 2.91Å; T76-Q78 VanDerWaalsContact C-N 3.34Å; T76-Q78 PolarHBondContact OG1-OE1 2.79Å
77	G	86.6	Confident	91.7	Very high	30 Å²	30	29 Å²	29	31%	0.309	18%	0.177	S	C	.	.	S	Bend	trans	79.3	14.5	-176.1	0	0	0	0	0	114	S74 A75	S74-G77 PolarHBondContact O-N 2.8Å; A75-G77 VanDerWaalsContact C-N 3.34Å
78	Q	91.2	Very high	92.5	Very high	58 Å²	58	28.8 Å²	28.8	27%	0.271	18%	0.176	S	C	.	.			trans	-83.6	134.6	173.8	-67.4	175.2	-47.6	0	0	109.9	D49 G50 S74 T76 V80	D49-Q78 PolarHBondContact O-NE2 3.44Å; G50-Q78 CarbonylContact O-C 3.18Å; G50-Q78 WeakPolarHBondContact O-CA 3.4Å; S74-Q78 WeakPolarHBondContact CB-O 3.33Å; S74-Q78 PolarHBondContact N-O 3.19Å; S74-Q78 WeakPolarHBondContact OG-CB 3.31Å; S74-Q78 PolarHBondContact OG-N 2.85Å; S74-Q78 VanDerWaalsContact OG-N 3.09Å; S74-Q78 PolarHBondContact OG-O 2.89Å; T76-Q78 VanDerWaalsContact C-N 3.34Å; T76-Q78 PolarHBondContact OG1-OE1 2.79Å; Q78-V80 PolarHBondContact O-N 3.01Å
79	M	92.4	Very high	92.9	Very high	13 Å²	13	29 Å²	29	6%	0.064	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	109.3	173.4	-57.3	-54.5	-63.1	0	0	109.1	I46 G50 W52 L67 F71 E73	I46-M79 HydrophobicContact CD1-CB 3.74Å; I46-M79 HydrophobicContact CD1-CG 4.08Å; I46-M79 HydrophobicContact CG1-CB 4.31Å; I46-M79 HydrophobicContact CG1-CG 4.35Å; I46-M79 HydrophobicContact CG2-CB 4.49Å; G50-M79 PolarHBondContact O-N 3.37Å; W52-M79 HydrophobicContact CB-CG 4.34Å; L67-M79 HydrophobicContact CB-CE 4.04Å; L67-M79 HydrophobicContact CD2-CE 4.39Å; F71-M79 HydrophobicContact CB-CB 4.26Å; F71-M79 HydrophobicContact CB-CE 3.68Å; F71-M79 HydrophobicContact CD1-CB 4.08Å; F71-M79 HydrophobicContact CG-CB 4.4Å; E73-M79 HydrophobicContact CB-SD 4.01Å; E73-M79 HydrophobicContact CG-SD 4.11Å
80	V	94.7	Very high	93.1	Very high	17 Å²	17	31.3 Å²	31.3	10%	0.103	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	127	-179	179.4	0	0	0	0	109.1	F71 Q72 Q78 H106	F71-V80 CarbonylContact C-O 3.31Å; F71-V80 VanDerWaalsContact CA-O 3.3Å; F71-V80 WeakPolarHBondContact CA-O 3.37Å; Q72-V80 HydrophobicContact CG-CB 3.9Å; Q72-V80 HydrophobicContact CG-CG1 4.41Å; Q72-V80 WeakPolarHBondContact CG-O 3.33Å; Q72-V80 PolarHBondContact N-O 2.8Å; Q72-V80 PolarHBondContact O-N 3.38Å; Q78-V80 PolarHBondContact O-N 3.01Å; V80-H106 HydrophobicContact CG1-CB 3.96Å
81	P	95.9	Very high	93.2	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	138.6	173.8	-31.2	39.6	0	0	0	113.3	W37 F71 A83 L104 F105	W37-P81 HydrophobicContact CD2-CB 4.03Å; W37-P81 HydrophobicContact CD2-CG 4.23Å; W37-P81 HydrophobicContact CE3-CB 3.76Å; W37-P81 HydrophobicContact CE3-CG 3.82Å; W37-P81 HydrophobicContact CH2-CB 3.63Å; W37-P81 HydrophobicContact CZ2-CB 3.88Å; W37-P81 HydrophobicContact CZ3-CB 3.55Å; W37-P81 HydrophobicContact CZ3-CG 3.98Å; F71-P81 HydrophobicContact CD1-CG 4.08Å; F71-P81 HydrophobicContact CE1-CG 3.82Å; P81-A83 HydrophobicContact CB-CB 3.74Å; P81-A83 PolarHBondContact O-N 3.25Å; P81-L104 WeakPolarHBondContact CD-O 3.49Å; P81-L104 HydrophobicContact CG-CD1 4.19Å; P81-L104 HydrophobicContact CG-CD2 3.73Å; P81-L104 HydrophobicContact CG-CG 3.61Å; P81-F105 HydrophobicContact CB-CD1 4.01Å; P81-F105 HydrophobicContact CB-CE1 4.02Å; P81-F105 HydrophobicContact CG-CD1 3.83Å; P81-F105 HydrophobicContact CG-CE1 3.77Å
82	R	95.5	Very high	93.2	Very high	13 Å²	13	34 Å²	34	5%	0.049	21%	0.21	C	C	.	.	S	Bend	trans	-77.6	62.4	163	-62	-177.7	-170.1	-87.9	7.1	109	E19 S22 E68 H70 F71 I143 S146 C147	E19-R82 IonicContact OE1-CZ 3.49Å; E19-R82 IonicContact OE1-NH1 3.89Å; E19-R82 IonicContact OE1-NH2 3.92Å; E19-R82 PolarHBondContact OE1-NH2 3.03Å; S22-R82 PolarHBondContact N-O 3.31Å; E68-R82 PolarHBondContact O-NE 3.32Å; H70-R82 PolarHBondContact O-N 3Å; F71-R82 PolarHBondContact O-NE 3.43Å; R82-I143 HydrophobicContact CB-CG2 4.35Å; R82-S146 PolarHBondContact NH1-O 2.96Å; R82-S146 VanDerWaalsContact NH1-O 3.08Å; R82-S146 PolarHBondContact NH1-OG 3.49Å; R82-S146 VanDerWaalsContact NH1-OG 3.16Å; R82-C147 PolarHBondContact NH1-SG 3.05Å
83	A	96.8	Very high	93.5	Very high	5 Å²	5	32.3 Å²	32.3	4%	0.041	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	143	-173.3	0	0	0	0	0	111	S22 W37 P81 F85 F105 F109	S22-A83 CarbonylContact O-C 3.59Å; S22-A83 VanDerWaalsContact O-CA 3.27Å; S22-A83 WeakPolarHBondContact O-CA 3.06Å; W37-A83 HydrophobicContact CH2-CB 4.4Å; W37-A83 HydrophobicContact CZ2-CB 3.46Å; W37-A83 VanDerWaalsContact CZ2-CB 3.46Å; P81-A83 HydrophobicContact CB-CB 3.74Å; P81-A83 PolarHBondContact O-N 3.25Å; A83-F85 HydrophobicContact CB-CE2 4.09Å; A83-F105 HydrophobicContact CB-CD1 4.29Å; A83-F105 HydrophobicContact CB-CE1 4.3Å; A83-F109 VanDerWaalsContact O-CB 3.32Å; A83-F109 WeakPolarHBondContact O-CB 3.5Å
84	M	97.5	Very high	93.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.9	167.6	-166.5	-176.1	-58.6	0	0	109.6	S22 H24 V86 F109 L111 V136 F140 I143	S22-M84 PolarHBondContact O-N 2.87Å; H24-M84 PolarHBondContact CD2-O 3.37Å; H24-M84 PolarHBondContact N-O 3.05Å; M84-V86 HydrophobicContact CG-CG2 3.7Å; M84-V86 HydrophobicContact SD-CG2 3.62Å; M84-F109 CarbonylContact C-O 3.55Å; M84-F109 VanDerWaalsContact CA-O 3.31Å; M84-F109 WeakPolarHBondContact CA-O 3.28Å; M84-F109 HydrophobicContact CB-CB 4.45Å; M84-F109 HydrophobicContact CG-CB 4.28Å; M84-F109 VanDerWaalsContact CG-O 3.25Å; M84-F109 WeakPolarHBondContact CG-O 3.31Å; M84-L111 HydrophobicContact CG-CD1 4.5Å; M84-L111 HydrophobicContact SD-CD1 3.97Å; M84-V136 HydrophobicContact SD-CG1 3.97Å; M84-F140 HydrophobicContact CE-CB 4.31Å; M84-F140 HydrophobicContact CE-CD1 3.96Å; M84-F140 HydrophobicContact CE-CD2 3.65Å; M84-F140 HydrophobicContact CE-CE1 4.17Å; M84-F140 HydrophobicContact CE-CE2 3.82Å; M84-F140 HydrophobicContact CE-CG 3.71Å; M84-F140 HydrophobicContact CE-CZ 4.1Å; M84-F140 HydrophobicContact SD-CD2 4.11Å; M84-F140 HydrophobicContact SD-CE2 3.8Å; M84-F140 HydrophobicContact SD-CZ 4.21Å; M84-I143 HydrophobicContact CB-CD1 4.46Å; M84-I143 HydrophobicContact CE-CD1 3.88Å
85	F	98.3	Very high	94	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	123.7	172.2	-68.8	-96.6	0	0	0	108.1	H24 C30 W37 A83 V96 F105 F109 M110 L111	H24-F85 HydrophobicContact CB-CD1 3.64Å; H24-F85 HydrophobicContact CB-CE1 3.86Å; H24-F85 HydrophobicContact CB-CG 4.25Å; H24-F85 AromaticContact CD2-CE1 3.86Å; H24-F85 AromaticContact CD2-CZ 3.78Å; H24-F85 AromaticContact CG-CE1 3.84Å; H24-F85 WeakPolarHBondContact O-CA 3.5Å; C30-F85 HydrophobicContact CB-CD1 4.05Å; W37-F85 AromaticContact CD1-CZ 3.84Å; A83-F85 HydrophobicContact CB-CE2 4.09Å; F85-V96 HydrophobicContact CD1-CG1 4.49Å; F85-V96 HydrophobicContact CD1-CG2 4.15Å; F85-V96 HydrophobicContact CE1-CG1 4.36Å; F85-V96 HydrophobicContact CE1-CG2 4.19Å; F85-V96 HydrophobicContact CE2-CG1 4.39Å; F85-V96 HydrophobicContact CZ-CG1 4.3Å; F85-F105 HydrophobicContact CD2-CD1 4.49Å; F85-F105 AromaticContact CE2-CD1 3.64Å; F85-F105 HydrophobicContact CE2-CD1 3.64Å; F85-F105 HydrophobicContact CE2-CD2 4.34Å; F85-F105 AromaticContact CE2-CE1 3.52Å; F85-F105 HydrophobicContact CE2-CE1 3.52Å; F85-F105 HydrophobicContact CE2-CE2 4.22Å; F85-F105 HydrophobicContact CE2-CG 4.05Å; F85-F105 AromaticContact CE2-CZ 3.82Å; F85-F105 HydrophobicContact CE2-CZ 3.82Å; F85-F105 HydrophobicContact CZ-CD1 4.43Å; F85-F105 AromaticContact CZ-CE1 3.89Å; F85-F105 HydrophobicContact CZ-CE1 3.89Å; F85-F105 HydrophobicContact CZ-CE2 4.26Å; F85-F105 AromaticContact CZ-CZ 3.78Å; F85-F105 HydrophobicContact CZ-CZ 3.78Å; F85-F109 PolarHBondContact N-O 2.88Å; F85-M110 HydrophobicContact CB-CG 4.47Å; F85-M110 HydrophobicContact CD2-CG 4.46Å; F85-M110 CarbonylContact O-C 3.51Å; F85-L111 PolarHBondContact O-N 3.4Å
86	V	97.9	Very high	94.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	126.2	-176.7	-169.4	0	0	0	0	109.8	H24 V25 G26 M84 L111 V136 F167	H24-V86 PolarHBondContact O-N 2.98Å; V25-V86 WeakPolarHBondContact CA-O 3.33Å; G26-V86 PolarHBondContact N-O 3.24Å; M84-V86 HydrophobicContact CG-CG2 3.7Å; M84-V86 HydrophobicContact SD-CG2 3.62Å; V86-L111 WeakPolarHBondContact CA-O 3.47Å; V86-L111 HydrophobicContact CG1-CB 4.46Å; V86-L111 HydrophobicContact CG2-CB 4.43Å; V86-L111 HydrophobicContact CG2-CD1 4.49Å; V86-V136 HydrophobicContact CG1-CG2 3.71Å; V86-V136 HydrophobicContact CG2-CG1 4.35Å; V86-V136 HydrophobicContact CG2-CG2 4.12Å; V86-F167 HydrophobicContact CB-CE1 4.28Å; V86-F167 HydrophobicContact CG1-CD1 4.24Å; V86-F167 HydrophobicContact CG1-CE1 3.52Å; V86-F167 HydrophobicContact CG1-CZ 4.1Å
87	D	97.5	Very high	94.7	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	153.6	165.2	-153.3	-20.5	0	0	0	110.2	G26 Q27 E89 V93 L111 S112 G113 T163	G26-D87 WeakPolarHBondContact CA-OD2 3.34Å; Q27-D87 PolarHBondContact N-OD2 3.06Å; D87-E89 VanDerWaalsContact C-N 3.27Å; D87-E89 WeakPolarHBondContact CB-O 3.38Å; D87-V93 HydrophobicContact CB-CG2 3.73Å; D87-L111 PolarHBondContact N-O 2.87Å; D87-L111 VanDerWaalsContact N-O 3.1Å; D87-S112 CarbonylContact O-C 3.53Å; D87-S112 VanDerWaalsContact O-CA 3.28Å; D87-S112 WeakPolarHBondContact O-CA 3.39Å; D87-G113 PolarHBondContact O-N 3.28Å; D87-T163 WeakPolarHBondContact OD1-CG2 3.23Å; D87-T163 PolarHBondContact OD1-OG1 3.42Å
88	L	96.7	Very high	95.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	-78.4	-18.6	179.2	-61	179.8	0	0	0	111.6	G113 K114 E115 A117 V128 M132 T163 F167	L88-G113 CarbonylContact O-C 2.93Å; L88-G113 WeakPolarHBondContact O-CA 3.39Å; L88-G113 PolarHBondContact O-N 3.39Å; L88-K114 PolarHBondContact O-N 3.16Å; L88-E115 CarbonylContact C-O 3.55Å; L88-E115 WeakPolarHBondContact CB-O 3.3Å; L88-E115 CarbonylContact O-C 3.43Å; L88-E115 PolarHBondContact O-N 2.98Å; L88-A117 HydrophobicContact CD1-CB 4.05Å; L88-V128 HydrophobicContact CB-CG1 4.04Å; L88-V128 HydrophobicContact CD1-CB 4.28Å; L88-V128 HydrophobicContact CD1-CG1 4.05Å; L88-V128 HydrophobicContact CD2-CG1 4.27Å; L88-V128 HydrophobicContact CG-CG1 4.32Å; L88-M132 HydrophobicContact CD2-CB 3.76Å; L88-M132 HydrophobicContact CD2-CG 3.62Å; L88-T163 HydrophobicContact CD1-CG2 4.28Å; L88-T163 HydrophobicContact CG-CG2 3.84Å; L88-F167 HydrophobicContact CD1-CB 4.25Å; L88-F167 HydrophobicContact CD2-CD2 4.24Å; L88-F167 HydrophobicContact CD2-CG 4.34Å
89	E	94.2	Very high	95.1	Very high	55 Å²	55	30.6 Å²	30.6	26%	0.257	17%	0.168	S	C	.	.	S	Bend	trans	-116.3	156	169.5	59.4	159.6	-147.6	0	0	112.3	D87 S91 D116	D87-E89 VanDerWaalsContact C-N 3.27Å; D87-E89 WeakPolarHBondContact CB-O 3.38Å; E89-S91 VanDerWaalsContact C-N 3.33Å; E89-S91 PolarHBondContact O-N 2.8Å; E89-S91 PolarHBondContact OE1-OG 3.35Å; E89-D116 HydrophobicContact CB-CB 4.04Å; E89-D116 HydrophobicContact CG-CB 4.2Å; E89-D116 WeakPolarHBondContact OE2-CB 3.21Å
90	P	93.8	Very high	94.9	Very high	52 Å²	52	37.1 Å²	37.1	34%	0.338	20%	0.203	S	C	.	.	S	Bend	trans	-75.3	-17	-174.1	28.4	-35.4	0	0	0	114.7	V92 V93 D94	P90-V92 PolarHBondContact O-N 2.68Å; P90-V93 PolarHBondContact O-N 2.88Å; P90-D94 WeakPolarHBondContact CB-OD2 3.49Å; P90-D94 VanDerWaalsContact O-CB 3.23Å; P90-D94 WeakPolarHBondContact O-CB 3.26Å; P90-D94 VanDerWaalsContact O-CG 3.3Å; P90-D94 PolarHBondContact O-N 2.92Å
91	S	93.4	Very high	94.7	Very high	51 Å²	51	37.2 Å²	37.2	36%	0.357	20%	0.203	S	C	.	.	H	α-helix	trans	-55.2	-47.1	-161.1	77.2	0	0	0	0	114.7	E89 K95	E89-S91 VanDerWaalsContact C-N 3.33Å; E89-S91 PolarHBondContact O-N 2.8Å; E89-S91 PolarHBondContact OE1-OG 3.35Å; S91-K95 WeakPolarHBondContact O-CG 3.47Å
92	V	94.2	Very high	94.4	Very high	5 Å²	5	39 Å²	39	3%	0.03	22%	0.216	C	C	.	.	H	α-helix	trans	-87.8	-36.2	-174.9	-174	0	0	0	0	111.5	Q27 C30 Q31 P90 D94 K95 V96	Q27-V92 HydrophobicContact CB-CG2 3.93Å; Q27-V92 HydrophobicContact CG-CG2 3.87Å; C30-V92 HydrophobicContact CB-CB 4.46Å; C30-V92 HydrophobicContact CB-CG1 3.52Å; Q31-V92 HydrophobicContact CG-CG1 4.07Å; P90-V92 PolarHBondContact O-N 2.68Å; V92-D94 VanDerWaalsContact C-N 3.33Å; V92-K95 WeakPolarHBondContact O-CB 3.1Å; V92-K95 PolarHBondContact O-N 2.92Å; V92-V96 PolarHBondContact O-N 2.76Å
93	V	96	Very high	94.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66	-38.4	176.1	179.9	0	0	0	0	110.5	D87 P90 K95 V96 R97 M110	D87-V93 HydrophobicContact CB-CG2 3.73Å; P90-V93 PolarHBondContact O-N 2.88Å; V93-K95 VanDerWaalsContact C-N 3.31Å; V93-K95 PolarHBondContact O-N 3.02Å; V93-V96 WeakPolarHBondContact O-CB 3.39Å; V93-V96 PolarHBondContact O-N 2.61Å; V93-V96 VanDerWaalsContact O-N 3.11Å; V93-R97 WeakPolarHBondContact O-CG 3.39Å; V93-R97 PolarHBondContact O-N 3.46Å; V93-M110 HydrophobicContact CG1-CB 3.88Å
94	D	95	Very high	94.2	Very high	64 Å²	64	46.7 Å²	46.7	34%	0.342	24%	0.244	S	C	.	.	H	α-helix	trans	-66.5	-31.7	175.6	-76.9	-10.6	0	0	0	112.6	P90 V92 V96 R97 C98	P90-D94 WeakPolarHBondContact CB-OD2 3.49Å; P90-D94 VanDerWaalsContact O-CB 3.23Å; P90-D94 WeakPolarHBondContact O-CB 3.26Å; P90-D94 VanDerWaalsContact O-CG 3.3Å; P90-D94 PolarHBondContact O-N 2.92Å; V92-D94 VanDerWaalsContact C-N 3.33Å; D94-V96 VanDerWaalsContact C-N 3.3Å; D94-V96 PolarHBondContact O-N 2.89Å; D94-R97 PolarHBondContact O-N 3.42Å; D94-R97 WeakPolarHBondContact OD1-CD 3.27Å; D94-R97 IonicContact OD1-CZ 2.68Å; D94-R97 IonicContact OD1-NE 3.67Å; D94-R97 IonicContact OD1-NH1 3.13Å; D94-R97 PolarHBondContact OD1-NH1 2.87Å; D94-C98 WeakPolarHBondContact O-CB 3.19Å; D94-C98 PolarHBondContact O-N 3.31Å; D94-C98 PolarHBondContact O-SG 3.01Å
95	K	94.4	Very high	94	Very high	135 Å²	135	47.2 Å²	47.2	59%	0.587	25%	0.246	S	C	*	.	H	α-helix	trans	-62.3	-39.1	170.8	-73.6	174.1	-178.5	175.8	0	111.7	S91 V92 V93 C98 G99	S91-K95 WeakPolarHBondContact O-CG 3.47Å; V92-K95 WeakPolarHBondContact O-CB 3.1Å; V92-K95 PolarHBondContact O-N 2.92Å; V93-K95 VanDerWaalsContact C-N 3.31Å; V93-K95 PolarHBondContact O-N 3.02Å; K95-C98 PolarHBondContact O-N 3.46Å; K95-G99 WeakPolarHBondContact O-CA 3.34Å; K95-G99 PolarHBondContact O-N 3.31Å
96	V	94.3	Very high	93.8	Very high	6 Å²	6	50.4 Å²	50.4	4%	0.036	26%	0.261	C	S	.	.	H	α-helix	trans	-66.3	-43.3	174.2	-179.2	0	0	0	0	110.4	F85 V92 V93 D94 C98 G99 F105 M110	F85-V96 HydrophobicContact CD1-CG1 4.49Å; F85-V96 HydrophobicContact CD1-CG2 4.15Å; F85-V96 HydrophobicContact CE1-CG1 4.36Å; F85-V96 HydrophobicContact CE1-CG2 4.19Å; F85-V96 HydrophobicContact CE2-CG1 4.39Å; F85-V96 HydrophobicContact CZ-CG1 4.3Å; V92-V96 PolarHBondContact O-N 2.76Å; V93-V96 WeakPolarHBondContact O-CB 3.39Å; V93-V96 PolarHBondContact O-N 2.61Å; V93-V96 VanDerWaalsContact O-N 3.11Å; D94-V96 VanDerWaalsContact C-N 3.3Å; D94-V96 PolarHBondContact O-N 2.89Å; V96-C98 VanDerWaalsContact C-N 3.28Å; V96-C98 PolarHBondContact O-N 3.35Å; V96-G99 PolarHBondContact O-N 3Å; V96-F105 HydrophobicContact CG1-CD2 3.65Å; V96-F105 HydrophobicContact CG1-CE2 3.73Å; V96-M110 HydrophobicContact CG1-SD 4.21Å
97	R	93.9	Very high	93.6	Very high	90 Å²	90	54.6 Å²	54.6	34%	0.34	29%	0.288	S	S	.	.	H	α-helix	trans	-62.6	-30.2	177.1	-70.5	174.7	178.7	163.5	-4.9	114	V93 D94 S102 M110 S112	V93-R97 WeakPolarHBondContact O-CG 3.39Å; V93-R97 PolarHBondContact O-N 3.46Å; D94-R97 PolarHBondContact O-N 3.42Å; D94-R97 WeakPolarHBondContact OD1-CD 3.27Å; D94-R97 IonicContact OD1-CZ 2.68Å; D94-R97 IonicContact OD1-NE 3.67Å; D94-R97 IonicContact OD1-NH1 3.13Å; D94-R97 PolarHBondContact OD1-NH1 2.87Å; R97-S102 WeakPolarHBondContact O-CB 3.21Å; R97-M110 HydrophobicContact CB-SD 4.48Å; R97-M110 HydrophobicContact CG-CB 4.39Å; R97-M110 HydrophobicContact CG-CE 3.83Å; R97-M110 HydrophobicContact CG-SD 3.52Å; R97-M110 VanDerWaalsContact CG-SD 3.52Å; R97-M110 PolarHBondContact NH2-O 3.3Å; R97-S112 PolarHBondContact NH1-OG 3.21Å; R97-S112 PolarHBondContact NH2-OG 2.84Å; R97-S112 VanDerWaalsContact NH2-OG 3.13Å
98	C	93.3	Very high	93.4	Very high	113 Å²	113	58.5 Å²	58.5	76%	0.764	31%	0.308	S	S	*	.	H	α-helix	trans	-103.2	-1.2	-179.8	-65	0	0	0	0	113.1	D94 K95 V96	D94-C98 WeakPolarHBondContact O-CB 3.19Å; D94-C98 PolarHBondContact O-N 3.31Å; D94-C98 PolarHBondContact O-SG 3.01Å; K95-C98 PolarHBondContact O-N 3.46Å; V96-C98 VanDerWaalsContact C-N 3.28Å; V96-C98 PolarHBondContact O-N 3.35Å
99	G	90.8	Very high	93.4	Very high	18 Å²	18	59.1 Å²	59.1	19%	0.186	31%	0.311	C	S	.	.	S	Bend	trans	-79.6	-178.3	-175.5	0	0	0	0	0	113.5	K95 V96 L101 S102	K95-G99 WeakPolarHBondContact O-CA 3.34Å; K95-G99 PolarHBondContact O-N 3.31Å; V96-G99 PolarHBondContact O-N 3Å; G99-L101 PolarHBondContact O-N 3.28Å; G99-S102 WeakPolarHBondContact O-CB 3.41Å; G99-S102 PolarHBondContact O-N 3.39Å; G99-S102 VanDerWaalsContact O-N 3.09Å; G99-S102 PolarHBondContact O-OG 2.95Å
100	N	89.7	Confident	93.5	Very high	150 Å²	150	57 Å²	57	80%	0.802	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-33.7	-179.1	-67.6	-17	0	0	0	112.6
101	L	90.3	Very high	93.7	Very high	19 Å²	19	55.9 Å²	55.9	10%	0.099	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	17.1	179.7	-57.9	179.5	0	0	0	112.9	W37 E38 A48 G99 R103 L104 F105	W37-L101 HydrophobicContact CB-CD1 4.38Å; E38-L101 HydrophobicContact CB-CD1 4.03Å; A48-L101 HydrophobicContact CB-CD2 3.95Å; G99-L101 PolarHBondContact O-N 3.28Å; L101-R103 PolarHBondContact O-N 3.24Å; L101-L104 HydrophobicContact CB-CB 4.25Å; L101-L104 HydrophobicContact CB-CD2 4.29Å; L101-L104 HydrophobicContact CD1-CD2 4.34Å; L101-L104 HydrophobicContact CD2-CD2 4.35Å; L101-L104 WeakPolarHBondContact O-CB 3.47Å; L101-L104 PolarHBondContact O-N 3.43Å; L101-F105 HydrophobicContact CB-CD2 4.4Å; L101-F105 HydrophobicContact CB-CE2 3.76Å; L101-F105 HydrophobicContact CB-CZ 4.48Å; L101-F105 HydrophobicContact CD1-CE2 4.49Å; L101-F105 VanDerWaalsContact O-CD2 3.31Å; L101-F105 WeakPolarHBondContact O-CD2 3.39Å
102	S	90.2	Very high	93.8	Very high	39 Å²	39	55 Å²	55	27%	0.273	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-37.5	-176.3	47.8	0	0	0	0	114.3	R97 G99	R97-S102 WeakPolarHBondContact O-CB 3.21Å; G99-S102 WeakPolarHBondContact O-CB 3.41Å; G99-S102 PolarHBondContact O-N 3.39Å; G99-S102 VanDerWaalsContact O-N 3.09Å; G99-S102 PolarHBondContact O-OG 2.95Å
103	R	91.8	Very high	93.7	Very high	177 Å²	177	55.2 Å²	55.2	67%	0.668	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-12.4	-179.3	-69.6	172.3	176.4	-179.9	2.3	114	D49 L101	D49-R103 WeakPolarHBondContact OD1-CD 3.47Å; D49-R103 IonicContact OD1-CZ 2.87Å; D49-R103 IonicContact OD1-NE 3.66Å; D49-R103 IonicContact OD1-NH1 3.51Å; D49-R103 PolarHBondContact OD1-NH1 3.47Å; L101-R103 PolarHBondContact O-N 3.24Å
104	L	94.4	Very high	93.5	Very high	2 Å²	2	64.9 Å²	64.9	1%	0.01	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-42.3	178.1	-176.6	70.6	0	0	0	111	C41 I46 P81 L101	C41-L104 WeakPolarHBondContact SG-CD2 3.42Å; I46-L104 HydrophobicContact CG2-CD1 4.15Å; P81-L104 WeakPolarHBondContact CD-O 3.49Å; P81-L104 HydrophobicContact CG-CD1 4.19Å; P81-L104 HydrophobicContact CG-CD2 3.73Å; P81-L104 HydrophobicContact CG-CG 3.61Å; L101-L104 HydrophobicContact CB-CB 4.25Å; L101-L104 HydrophobicContact CB-CD2 4.29Å; L101-L104 HydrophobicContact CD1-CD2 4.34Å; L101-L104 HydrophobicContact CD2-CD2 4.35Å; L101-L104 WeakPolarHBondContact O-CB 3.47Å; L101-L104 PolarHBondContact O-N 3.43Å
105	F	94.9	Very high	93.3	Very high	11 Å²	11	67.2 Å²	67.2	5%	0.048	34%	0.34	C	S	.	.	S	Bend	trans	-86.3	141.8	-172.7	-58.8	-66.1	0	0	0	112.8	W37 P81 A83 F85 V96 L101 P107 M110	W37-F105 HydrophobicContact CB-CE1 4.06Å; W37-F105 HydrophobicContact CB-CZ 3.69Å; W37-F105 AromaticContact CD1-CE1 3.59Å; W37-F105 AromaticContact CD1-CZ 3.72Å; W37-F105 HydrophobicContact CD2-CE1 4.1Å; W37-F105 AromaticContact CG-CE1 3.65Å; W37-F105 HydrophobicContact CG-CE1 3.65Å; W37-F105 AromaticContact CG-CZ 3.74Å; W37-F105 HydrophobicContact CG-CZ 3.74Å; W37-F105 AromaticContact NE1-CE1 3.99Å; P81-F105 HydrophobicContact CB-CD1 4.01Å; P81-F105 HydrophobicContact CB-CE1 4.02Å; P81-F105 HydrophobicContact CG-CD1 3.83Å; P81-F105 HydrophobicContact CG-CE1 3.77Å; A83-F105 HydrophobicContact CB-CD1 4.29Å; A83-F105 HydrophobicContact CB-CE1 4.3Å; F85-F105 HydrophobicContact CD2-CD1 4.49Å; F85-F105 AromaticContact CE2-CD1 3.64Å; F85-F105 HydrophobicContact CE2-CD1 3.64Å; F85-F105 HydrophobicContact CE2-CD2 4.34Å; F85-F105 AromaticContact CE2-CE1 3.52Å; F85-F105 HydrophobicContact CE2-CE1 3.52Å; F85-F105 HydrophobicContact CE2-CE2 4.22Å; F85-F105 HydrophobicContact CE2-CG 4.05Å; F85-F105 AromaticContact CE2-CZ 3.82Å; F85-F105 HydrophobicContact CE2-CZ 3.82Å; F85-F105 HydrophobicContact CZ-CD1 4.43Å; F85-F105 AromaticContact CZ-CE1 3.89Å; F85-F105 HydrophobicContact CZ-CE1 3.89Å; F85-F105 HydrophobicContact CZ-CE2 4.26Å; F85-F105 AromaticContact CZ-CZ 3.78Å; F85-F105 HydrophobicContact CZ-CZ 3.78Å; V96-F105 HydrophobicContact CG1-CD2 3.65Å; V96-F105 HydrophobicContact CG1-CE2 3.73Å; L101-F105 HydrophobicContact CB-CD2 4.4Å; L101-F105 HydrophobicContact CB-CE2 3.76Å; L101-F105 HydrophobicContact CB-CZ 4.48Å; L101-F105 HydrophobicContact CD1-CE2 4.49Å; L101-F105 VanDerWaalsContact O-CD2 3.31Å; L101-F105 WeakPolarHBondContact O-CD2 3.39Å; F105-P107 WeakPolarHBondContact O-CD 3.4Å; F105-M110 HydrophobicContact CB-CE 4.13Å; F105-M110 HydrophobicContact CB-CG 4.47Å; F105-M110 HydrophobicContact CB-SD 4Å
106	H	94	Very high	93.1	Very high	68 Å²	68	64.2 Å²	64.2	32%	0.315	33%	0.331	S	S	.	.			trans	-72.4	126.7	175.6	-164.3	-81.1	0	0	0	110.9	V80 D108 F109	V80-H106 HydrophobicContact CG1-CB 3.96Å; H106-D108 VanDerWaalsContact C-N 3.32Å; H106-D108 VanDerWaalsContact CE1-CG 3.45Å; H106-D108 IonicContact CE1-OD1 3.75Å; H106-D108 IonicContact CE1-OD2 2.83Å; H106-D108 PolarHBondContact CE1-OD2 3.12Å; H106-D108 WeakPolarHBondContact ND1-CB 3.5Å; H106-D108 PolarHBondContact ND1-N 2.96Å; H106-D108 PolarHBondContact O-N 2.87Å; H106-F109 HydrophobicContact CB-CD2 3.54Å; H106-F109 HydrophobicContact CB-CE2 3.84Å; H106-F109 HydrophobicContact CB-CG 4.32Å; H106-F109 AromaticContact CG-CE2 3.91Å; H106-F109 PolarHBondContact O-N 3.32Å; H106-F109 VanDerWaalsContact O-N 3.08Å
107	P	93.2	Very high	93	Very high	87 Å²	87	64.1 Å²	64.1	57%	0.565	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-55.7	-39.3	-177.6	-28.7	36.3	0	0	0	115	F105 F109 M110	F105-P107 WeakPolarHBondContact O-CD 3.4Å; P107-F109 PolarHBondContact O-N 3.12Å; P107-F109 VanDerWaalsContact O-N 3.12Å; P107-M110 HydrophobicContact CB-CE 4.48Å; P107-M110 PolarHBondContact O-N 3.14Å
108	D	93.7	Very high	92.9	Very high	86 Å²	86	62.8 Å²	62.8	46%	0.46	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-64.5	-16.7	-179.2	-63.1	3.3	0	0	0	114	H106 S139	H106-D108 VanDerWaalsContact C-N 3.32Å; H106-D108 VanDerWaalsContact CE1-CG 3.45Å; H106-D108 IonicContact CE1-OD1 3.75Å; H106-D108 IonicContact CE1-OD2 2.83Å; H106-D108 PolarHBondContact CE1-OD2 3.12Å; H106-D108 WeakPolarHBondContact ND1-CB 3.5Å; H106-D108 PolarHBondContact ND1-N 2.96Å; H106-D108 PolarHBondContact O-N 2.87Å; D108-S139 PolarHBondContact O-OG 2.87Å; D108-S139 VanDerWaalsContact O-OG 3.05Å
109	F	96.2	Very high	92.9	Very high	14 Å²	14	61 Å²	61	6%	0.061	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-104	7.7	179.4	-48.4	-36.6	0	0	0	112.3	A83 M84 F85 H106 P107 K142 I143	A83-F109 VanDerWaalsContact O-CB 3.32Å; A83-F109 WeakPolarHBondContact O-CB 3.5Å; M84-F109 CarbonylContact C-O 3.55Å; M84-F109 VanDerWaalsContact CA-O 3.31Å; M84-F109 WeakPolarHBondContact CA-O 3.28Å; M84-F109 HydrophobicContact CB-CB 4.45Å; M84-F109 HydrophobicContact CG-CB 4.28Å; M84-F109 VanDerWaalsContact CG-O 3.25Å; M84-F109 WeakPolarHBondContact CG-O 3.31Å; F85-F109 PolarHBondContact N-O 2.88Å; H106-F109 HydrophobicContact CB-CD2 3.54Å; H106-F109 HydrophobicContact CB-CE2 3.84Å; H106-F109 HydrophobicContact CB-CG 4.32Å; H106-F109 AromaticContact CG-CE2 3.91Å; H106-F109 PolarHBondContact O-N 3.32Å; H106-F109 VanDerWaalsContact O-N 3.08Å; P107-F109 PolarHBondContact O-N 3.12Å; P107-F109 VanDerWaalsContact O-N 3.12Å; F109-K142 HydrophobicContact CE1-CB 4.19Å; F109-K142 HydrophobicContact CZ-CB 4.5Å; F109-I143 HydrophobicContact CB-CD1 4.23Å; F109-I143 HydrophobicContact CD1-CD1 3.73Å; F109-I143 HydrophobicContact CD1-CG1 3.79Å; F109-I143 HydrophobicContact CD2-CD1 3.71Å; F109-I143 HydrophobicContact CD2-CG1 3.79Å; F109-I143 HydrophobicContact CE1-CD1 3.98Å; F109-I143 HydrophobicContact CE1-CG1 3.47Å; F109-I143 VanDerWaalsContact CE1-CG1 3.47Å; F109-I143 HydrophobicContact CE2-CD1 3.99Å; F109-I143 HydrophobicContact CE2-CG1 3.5Å; F109-I143 HydrophobicContact CG-CD1 3.61Å; F109-I143 HydrophobicContact CG-CG1 3.96Å; F109-I143 HydrophobicContact CZ-CD1 4.12Å; F109-I143 HydrophobicContact CZ-CG1 3.33Å
110	M	96.7	Very high	93.1	Very high	10 Å²	10	60.6 Å²	60.6	5%	0.049	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	92.7	169.2	-67.4	-172.9	-78	0	0	108.4	F85 V93 V96 R97 F105 P107	F85-M110 HydrophobicContact CB-CG 4.47Å; F85-M110 HydrophobicContact CD2-CG 4.46Å; F85-M110 CarbonylContact O-C 3.51Å; V93-M110 HydrophobicContact CG1-CB 3.88Å; V96-M110 HydrophobicContact CG1-SD 4.21Å; R97-M110 HydrophobicContact CB-SD 4.48Å; R97-M110 HydrophobicContact CG-CB 4.39Å; R97-M110 HydrophobicContact CG-CE 3.83Å; R97-M110 HydrophobicContact CG-SD 3.52Å; R97-M110 VanDerWaalsContact CG-SD 3.52Å; R97-M110 PolarHBondContact NH2-O 3.3Å; F105-M110 HydrophobicContact CB-CE 4.13Å; F105-M110 HydrophobicContact CB-CG 4.47Å; F105-M110 HydrophobicContact CB-SD 4Å; P107-M110 HydrophobicContact CB-CE 4.48Å; P107-M110 PolarHBondContact O-N 3.14Å
111	L	96.8	Very high	93.5	Very high	29 Å²	29	53.8 Å²	53.8	15%	0.152	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.9	-172.5	-63.5	167.4	0	0	0	110.2	M84 F85 V86 D87 M132 V136	M84-L111 HydrophobicContact CG-CD1 4.5Å; M84-L111 HydrophobicContact SD-CD1 3.97Å; F85-L111 PolarHBondContact O-N 3.4Å; V86-L111 WeakPolarHBondContact CA-O 3.47Å; V86-L111 HydrophobicContact CG1-CB 4.46Å; V86-L111 HydrophobicContact CG2-CB 4.43Å; V86-L111 HydrophobicContact CG2-CD1 4.49Å; D87-L111 PolarHBondContact N-O 2.87Å; D87-L111 VanDerWaalsContact N-O 3.1Å; L111-M132 HydrophobicContact CB-CE 4.3Å; L111-V136 HydrophobicContact CB-CG2 4.47Å; L111-V136 HydrophobicContact CD1-CB 4.2Å; L111-V136 HydrophobicContact CD1-CG2 3.57Å
112	S	95.6	Very high	93.9	Very high	32 Å²	32	52.9 Å²	52.9	22%	0.224	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	132	175.9	27	0	0	0	0	109.9	D87 R97	D87-S112 CarbonylContact O-C 3.53Å; D87-S112 VanDerWaalsContact O-CA 3.28Å; D87-S112 WeakPolarHBondContact O-CA 3.39Å; R97-S112 PolarHBondContact NH1-OG 3.21Å; R97-S112 PolarHBondContact NH2-OG 2.84Å; R97-S112 VanDerWaalsContact NH2-OG 3.13Å
113	G	93.1	Very high	94.2	Very high	9 Å²	9	53.4 Å²	53.4	9%	0.093	27%	0.269	C	S	.	.			trans	-76.7	-172.8	167.7	0	0	0	0	0	111.9	D87 L88	D87-G113 PolarHBondContact O-N 3.28Å; L88-G113 CarbonylContact O-C 2.93Å; L88-G113 WeakPolarHBondContact O-CA 3.39Å; L88-G113 PolarHBondContact O-N 3.39Å
114	K	91.4	Very high	94.5	Very high	204 Å²	204	45 Å²	45	89%	0.887	24%	0.238	S	C	*	.	S	Bend	trans	-108.6	-10.4	-179.3	-62.8	179.2	-177	173.8	0	113.4	L88	L88-K114 PolarHBondContact O-N 3.16Å
115	E	90.4	Very high	94.6	Very high	112 Å²	112	45.4 Å²	45.4	52%	0.523	24%	0.24	S	C	.	.	S	Bend	trans	-136	133	-170.9	-70.8	-175.2	-127.8	0	0	109.5	L88 R123 V128	L88-E115 CarbonylContact C-O 3.55Å; L88-E115 WeakPolarHBondContact CB-O 3.3Å; L88-E115 CarbonylContact O-C 3.43Å; L88-E115 PolarHBondContact O-N 2.98Å; E115-R123 IonicContact OE2-CZ 3.21Å; E115-R123 IonicContact OE2-NH2 2.9Å; E115-R123 PolarHBondContact OE2-NH2 2.81Å; E115-V128 HydrophobicContact CB-CG1 4.08Å; E115-V128 HydrophobicContact CB-CG2 4.24Å; E115-V128 WeakPolarHBondContact O-CG1 3.34Å
116	D	91.1	Very high	94.8	Very high	73 Å²	73	48.3 Å²	48.3	39%	0.39	25%	0.251	S	S	.	.			trans	-70.8	160.9	176.2	70.6	56.2	0	0	0	112	E89 A118 R123	E89-D116 HydrophobicContact CB-CB 4.04Å; E89-D116 HydrophobicContact CG-CB 4.2Å; E89-D116 WeakPolarHBondContact OE2-CB 3.21Å; D116-A118 VanDerWaalsContact C-N 3.29Å; D116-A118 VanDerWaalsContact OD1-CA 3.23Å; D116-A118 WeakPolarHBondContact OD1-CA 3.39Å; D116-A118 WeakPolarHBondContact OD1-CB 3.4Å; D116-A118 PolarHBondContact OD1-N 3.3Å; D116-R123 PolarHBondContact O-NE 2.74Å
117	A	91.5	Very high	94.9	Very high	4 Å²	4	47.2 Å²	47.2	3%	0.033	25%	0.249	C	C	.	.			trans	-83.6	-1	173.1	0	0	0	0	0	113.3	L88 N119 N120	L88-A117 HydrophobicContact CD1-CB 4.05Å; A117-N119 PolarHBondContact O-N 2.85Å; A117-N119 VanDerWaalsContact O-N 3.07Å; A117-N120 WeakPolarHBondContact O-CB 3.23Å; A117-N120 PolarHBondContact O-N 2.79Å
118	A	90.9	Very high	95	Very high	61 Å²	61	43.6 Å²	43.6	50%	0.504	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	35.8	-178	0	0	0	0	0	114.9	D116 N120	D116-A118 VanDerWaalsContact C-N 3.29Å; D116-A118 VanDerWaalsContact OD1-CA 3.23Å; D116-A118 WeakPolarHBondContact OD1-CA 3.39Å; D116-A118 WeakPolarHBondContact OD1-CB 3.4Å; D116-A118 PolarHBondContact OD1-N 3.3Å; A118-N120 PolarHBondContact O-N 3.07Å
119	N	93.4	Very high	95.1	Very high	76 Å²	76	39.5 Å²	39.5	41%	0.406	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	24.7	-171.4	-64.8	-52.4	0	0	0	114.8	A117 A198 V200 N204	A117-N119 PolarHBondContact O-N 2.85Å; A117-N119 VanDerWaalsContact O-N 3.07Å; N119-A198 HydrophobicContact CB-CB 3.78Å; N119-V200 HydrophobicContact CB-CG2 4.42Å; N119-V200 WeakPolarHBondContact O-CG2 2.97Å; N119-N204 PolarHBondContact O-ND2 2.88Å
120	N	96.2	Very high	95.1	Very high	10 Å²	10	45.4 Å²	45.4	5%	0.053	23%	0.229	C	C	.	.			trans	-110.2	117.8	-178.5	-175.6	-21.4	0	0	0	110.3	A117 A118 A122 R123 G124 W425 Y426	A117-N120 WeakPolarHBondContact O-CB 3.23Å; A117-N120 PolarHBondContact O-N 2.79Å; A118-N120 PolarHBondContact O-N 3.07Å; N120-A122 VanDerWaalsContact C-N 3.32Å; N120-A122 PolarHBondContact O-N 3Å; N120-A122 WeakPolarHBondContact OD1-CB 3.48Å; N120-A122 PolarHBondContact OD1-N 3.33Å; N120-R123 HydrophobicContact CB-CB 4.01Å; N120-R123 PolarHBondContact O-N 2.6Å; N120-G124 PolarHBondContact O-N 3.49Å; N120-G124 VanDerWaalsContact O-N 3.14Å; N120-W425 PolarHBondContact ND2-O 3.49Å; N120-Y426 WeakPolarHBondContact OD1-CD1 3.29Å
121	Y	98	Very high	95	Very high	7 Å²	7	49.9 Å²	49.9	3%	0.027	26%	0.257	C	S	.	.	H	α-helix	trans	-53.2	-47.5	174.7	172.4	-81.6	0	0	0	112	R123 G124 H125 Y126 G166 S169 N204 L207 T208 A211	Y121-R123 VanDerWaalsContact C-N 3.28Å; Y121-R123 PolarHBondContact O-N 3.05Å; Y121-G124 CarbonylContact O-C 3.56Å; Y121-G124 WeakPolarHBondContact O-CA 3.07Å; Y121-G124 PolarHBondContact O-N 3.5Å; Y121-H125 HydrophobicContact CD1-CB 4.37Å; Y121-H125 HydrophobicContact CE1-CB 3.96Å; Y121-H125 AromaticContact CZ-CD2 3.93Å; Y121-H125 WeakPolarHBondContact O-CB 3.47Å; Y121-H125 PolarHBondContact O-N 3.24Å; Y121-H125 PolarHBondContact OH-CD2 3.18Å; Y121-Y126 HydrophobicContact CE1-CE2 4.42Å; Y121-G166 WeakPolarHBondContact O-CA 3.41Å; Y121-S169 WeakPolarHBondContact CE2-OG 3.45Å; Y121-S169 WeakPolarHBondContact OH-CB 2.99Å; Y121-N204 VanDerWaalsContact CB-OD1 3.26Å; Y121-N204 WeakPolarHBondContact CB-OD1 3.18Å; Y121-N204 PolarHBondContact N-OD1 3.28Å; Y121-L207 HydrophobicContact CD1-CB 4Å; Y121-L207 HydrophobicContact CD1-CD1 3.79Å; Y121-L207 HydrophobicContact CD1-CG 4.47Å; Y121-L207 HydrophobicContact CD2-CB 3.8Å; Y121-L207 HydrophobicContact CE1-CB 4.03Å; Y121-L207 HydrophobicContact CE1-CD1 4.4Å; Y121-L207 HydrophobicContact CE2-CB 3.8Å; Y121-L207 HydrophobicContact CG-CB 3.93Å; Y121-L207 HydrophobicContact CG-CD1 3.99Å; Y121-T208 WeakPolarHBondContact CD2-OG1 3.34Å; Y121-T208 WeakPolarHBondContact CE2-OG1 3.4Å; Y121-A211 WeakPolarHBondContact OH-CB 3.48Å
122	A	97.9	Very high	95	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.8	-37.5	-174.5	0	0	0	0	0	111.4	N120 G124 H125 Y126 Y426 E429 M431	N120-A122 VanDerWaalsContact C-N 3.32Å; N120-A122 PolarHBondContact O-N 3Å; N120-A122 WeakPolarHBondContact OD1-CB 3.48Å; N120-A122 PolarHBondContact OD1-N 3.33Å; A122-G124 VanDerWaalsContact C-N 3.32Å; A122-G124 PolarHBondContact O-N 2.82Å; A122-H125 PolarHBondContact O-N 3.21Å; A122-Y126 HydrophobicContact CB-CD2 4.03Å; A122-Y126 WeakPolarHBondContact O-CB 3.27Å; A122-Y126 PolarHBondContact O-N 2.88Å; A122-Y426 HydrophobicContact CB-CD1 3.9Å; A122-Y426 HydrophobicContact CB-CG 4.25Å; A122-E429 HydrophobicContact CB-CB 3.84Å; A122-M431 HydrophobicContact CB-CB 3.83Å; A122-M431 HydrophobicContact CB-SD 4.1Å
123	R	97.2	Very high	95.1	Very high	50 Å²	50	48.4 Å²	48.4	19%	0.189	25%	0.246	C	C	.	.	I	π-helix	trans	-64.8	-39.1	173.6	-169.5	171.3	173.3	89.2	5.7	112.1	E115 D116 N120 Y121 H125 T127 V128 G129 E429	E115-R123 IonicContact OE2-CZ 3.21Å; E115-R123 IonicContact OE2-NH2 2.9Å; E115-R123 PolarHBondContact OE2-NH2 2.81Å; D116-R123 PolarHBondContact O-NE 2.74Å; N120-R123 HydrophobicContact CB-CB 4.01Å; N120-R123 PolarHBondContact O-N 2.6Å; Y121-R123 VanDerWaalsContact C-N 3.28Å; Y121-R123 PolarHBondContact O-N 3.05Å; R123-H125 VanDerWaalsContact C-N 3.32Å; R123-T127 WeakPolarHBondContact CA-OG1 3.45Å; R123-T127 PolarHBondContact O-OG1 2.8Å; R123-V128 HydrophobicContact CG-CB 4.28Å; R123-V128 HydrophobicContact CG-CG2 3.69Å; R123-V128 PolarHBondContact O-N 3.39Å; R123-G129 PolarHBondContact O-N 2.86Å; R123-E429 HydrophobicContact CB-CG 4.01Å; R123-E429 IonicContact NH1-OE1 3.76Å; R123-E429 PolarHBondContact NH1-OE1 2.8Å; R123-E429 VanDerWaalsContact NH1-OE1 3.16Å; R123-E429 IonicContact NH1-OE2 2.65Å
124	G	97.3	Very high	95.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.277	C	S	.	.	I	π-helix	trans	-69.3	-23	174.2	0	0	0	0	0	114.4	N120 Y121 A122 G129 G166 F167	N120-G124 PolarHBondContact O-N 3.49Å; N120-G124 VanDerWaalsContact O-N 3.14Å; Y121-G124 CarbonylContact O-C 3.56Å; Y121-G124 WeakPolarHBondContact O-CA 3.07Å; Y121-G124 PolarHBondContact O-N 3.5Å; A122-G124 VanDerWaalsContact C-N 3.32Å; A122-G124 PolarHBondContact O-N 2.82Å; G124-G129 VanDerWaalsContact O-CA 3.26Å; G124-G129 WeakPolarHBondContact O-CA 3.28Å; G124-G166 CarbonylContact O-C 3.59Å; G124-F167 WeakPolarHBondContact O-CA 3.29Å; G124-F167 VanDerWaalsContact O-CB 3.31Å; G124-F167 WeakPolarHBondContact O-CB 3.42Å; G124-F167 PolarHBondContact O-N 2.81Å; G124-F167 VanDerWaalsContact O-N 3.11Å
125	H	98.1	Very high	95.5	Very high	11 Å²	11	48.6 Å²	48.6	5%	0.051	25%	0.253	C	S	.	.	I	π-helix	trans	-105	-53.7	-176.2	-170.6	-71.3	0	0	0	112.5	Y121 A122 R123 G166 E173	Y121-H125 HydrophobicContact CD1-CB 4.37Å; Y121-H125 HydrophobicContact CE1-CB 3.96Å; Y121-H125 AromaticContact CZ-CD2 3.93Å; Y121-H125 WeakPolarHBondContact O-CB 3.47Å; Y121-H125 PolarHBondContact O-N 3.24Å; Y121-H125 PolarHBondContact OH-CD2 3.18Å; A122-H125 PolarHBondContact O-N 3.21Å; R123-H125 VanDerWaalsContact C-N 3.32Å; H125-G166 PolarHBondContact CD2-O 2.8Å; H125-E173 IonicContact CD2-OE1 2.75Å; H125-E173 IonicContact CE1-OE1 3.66Å; H125-E173 IonicContact CE1-OE2 3.97Å; H125-E173 IonicContact NE2-OE1 2.81Å; H125-E173 PolarHBondContact NE2-OE1 3.33Å; H125-E173 IonicContact NE2-OE2 3.94Å
126	Y	97.4	Very high	95.8	Very high	71 Å²	71	43.3 Å²	43.3	28%	0.278	23%	0.228	S	C	.	.	I	π-helix	trans	-90.7	-28.6	-168.8	-65.4	-70.1	0	0	0	114.7	Y121 A122 K130 E429 M431 E435	Y121-Y126 HydrophobicContact CE1-CE2 4.42Å; A122-Y126 HydrophobicContact CB-CD2 4.03Å; A122-Y126 WeakPolarHBondContact O-CB 3.27Å; A122-Y126 PolarHBondContact O-N 2.88Å; Y126-K130 WeakPolarHBondContact O-CD 3.18Å; Y126-E429 WeakPolarHBondContact CB-O 3.41Å; Y126-M431 HydrophobicContact CD2-CB 3.76Å; Y126-M431 HydrophobicContact CD2-CG 4.28Å; Y126-M431 HydrophobicContact CE2-CB 3.63Å; Y126-M431 HydrophobicContact CE2-CG 3.65Å; Y126-M431 HydrophobicContact CE2-SD 4.4Å; Y126-E435 PolarHBondContact OH-OE1 3.06Å; Y126-E435 PolarHBondContact OH-OE2 3.08Å
127	T	96.3	Very high	96.2	Very high	45 Å²	45	40.4 Å²	40.4	28%	0.276	21%	0.212	S	C	.	.	I	π-helix	trans	-115.9	-90.1	-173.6	62.2	0	0	0	0	112.9	R123 G129 K130 T131 E429	R123-T127 WeakPolarHBondContact CA-OG1 3.45Å; R123-T127 PolarHBondContact O-OG1 2.8Å; T127-G129 VanDerWaalsContact C-N 3.34Å; T127-G129 PolarHBondContact O-N 3.11Å; T127-K130 WeakPolarHBondContact O-CB 3.42Å; T127-K130 PolarHBondContact O-N 3.14Å; T127-K130 VanDerWaalsContact O-N 3.16Å; T127-T131 PolarHBondContact O-N 3.3Å; T127-E429 WeakPolarHBondContact CB-OE2 3.24Å; T127-E429 HydrophobicContact CG2-CB 4.09Å; T127-E429 WeakPolarHBondContact CG2-O 3.42Å; T127-E429 WeakPolarHBondContact CG2-OE2 3.44Å; T127-E429 PolarHBondContact OG1-OE2 2.94Å
128	V	95.9	Very high	96.5	Very high	12 Å²	12	43.8 Å²	43.8	7%	0.073	23%	0.227	C	C	.	.	H	α-helix	trans	-60.8	-44.8	-173.4	-178.7	0	0	0	0	110.5	L88 E115 R123 K130 T131 M132	L88-V128 HydrophobicContact CB-CG1 4.04Å; L88-V128 HydrophobicContact CD1-CB 4.28Å; L88-V128 HydrophobicContact CD1-CG1 4.05Å; L88-V128 HydrophobicContact CD2-CG1 4.27Å; L88-V128 HydrophobicContact CG-CG1 4.32Å; E115-V128 HydrophobicContact CB-CG1 4.08Å; E115-V128 HydrophobicContact CB-CG2 4.24Å; E115-V128 WeakPolarHBondContact O-CG1 3.34Å; R123-V128 HydrophobicContact CG-CB 4.28Å; R123-V128 HydrophobicContact CG-CG2 3.69Å; R123-V128 PolarHBondContact O-N 3.39Å; V128-K130 VanDerWaalsContact C-N 3.3Å; V128-K130 PolarHBondContact O-N 2.92Å; V128-T131 PolarHBondContact O-N 3.39Å; V128-T131 VanDerWaalsContact O-N 3.09Å; V128-T131 PolarHBondContact O-OG1 3.37Å; V128-M132 PolarHBondContact O-N 2.9Å
129	G	96.4	Very high	96.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.4	-34.3	178.7	0	0	0	0	0	114	R123 G124 T127 T131 M132 I133 F167	R123-G129 PolarHBondContact O-N 2.86Å; G124-G129 VanDerWaalsContact O-CA 3.26Å; G124-G129 WeakPolarHBondContact O-CA 3.28Å; T127-G129 VanDerWaalsContact C-N 3.34Å; T127-G129 PolarHBondContact O-N 3.11Å; G129-T131 PolarHBondContact O-N 3.12Å; G129-M132 PolarHBondContact O-N 2.78Å; G129-I133 PolarHBondContact O-N 2.85Å; G129-F167 WeakPolarHBondContact O-CE2 3.49Å
130	K	95.9	Very high	96.8	Very high	138 Å²	138	37.5 Å²	37.5	60%	0.6	19%	0.186	S	C	*	.	H	α-helix	trans	-61.3	-30	174	-168.7	172.4	-174.9	169.6	0	112.6	Y126 T127 V128 M132 I133	Y126-K130 WeakPolarHBondContact O-CD 3.18Å; T127-K130 WeakPolarHBondContact O-CB 3.42Å; T127-K130 PolarHBondContact O-N 3.14Å; T127-K130 VanDerWaalsContact O-N 3.16Å; V128-K130 VanDerWaalsContact C-N 3.3Å; V128-K130 PolarHBondContact O-N 2.92Å; K130-M132 VanDerWaalsContact C-N 3.31Å; K130-I133 WeakPolarHBondContact O-CG2 3.22Å
131	T	95.1	Very high	96.9	Very high	104 Å²	104	41.2 Å²	41.2	64%	0.638	20%	0.199	S	C	*	.	H	α-helix	trans	-75.1	-21.3	174.3	71.2	0	0	0	0	113.4	T127 V128 G129	T127-T131 PolarHBondContact O-N 3.3Å; V128-T131 PolarHBondContact O-N 3.39Å; V128-T131 VanDerWaalsContact O-N 3.09Å; V128-T131 PolarHBondContact O-OG1 3.37Å; G129-T131 PolarHBondContact O-N 3.12Å
132	M	95.6	Very high	96.8	Very high	21 Å²	21	44.9 Å²	44.9	10%	0.103	22%	0.215	C	C	.	.	H	α-helix	trans	-98.1	-15.3	-176.7	-76.7	-66.6	-66.3	0	0	113.6	L88 L111 V128 G129 K130 E134 P135 V136 F167	L88-M132 HydrophobicContact CD2-CB 3.76Å; L88-M132 HydrophobicContact CD2-CG 3.62Å; L111-M132 HydrophobicContact CB-CE 4.3Å; V128-M132 PolarHBondContact O-N 2.9Å; G129-M132 PolarHBondContact O-N 2.78Å; K130-M132 VanDerWaalsContact C-N 3.31Å; M132-E134 PolarHBondContact O-N 3.01Å; M132-P135 WeakPolarHBondContact O-CD 3.47Å; M132-V136 WeakPolarHBondContact O-CB 3.38Å; M132-V136 WeakPolarHBondContact O-CG2 3.19Å; M132-V136 PolarHBondContact O-N 2.86Å; M132-F167 HydrophobicContact CB-CE2 4.15Å
133	I	97.3	Very high	96.7	Very high	9 Å²	9	44.9 Å²	44.9	5%	0.046	22%	0.215	C	C	.	.	H	α-helix	trans	-63.9	-42.5	-174.5	-165.7	59.3	0	0	0	112.8	G129 K130 V136 M137 F167 L170 L171 H174	G129-I133 PolarHBondContact O-N 2.85Å; K130-I133 WeakPolarHBondContact O-CG2 3.22Å; I133-V136 PolarHBondContact O-N 2.82Å; I133-M137 HydrophobicContact CD1-CG 4.12Å; I133-M137 HydrophobicContact CD1-SD 4.49Å; I133-M137 HydrophobicContact CG1-CG 4.14Å; I133-M137 WeakPolarHBondContact O-CB 3.13Å; I133-M137 VanDerWaalsContact O-CG 3.31Å; I133-M137 WeakPolarHBondContact O-CG 3.39Å; I133-M137 PolarHBondContact O-N 3.16Å; I133-F167 HydrophobicContact CB-CE2 4.36Å; I133-F167 HydrophobicContact CD1-CE2 4.11Å; I133-F167 HydrophobicContact CD1-CZ 4.25Å; I133-L170 HydrophobicContact CB-CD2 3.93Å; I133-L170 HydrophobicContact CD1-CD2 4.33Å; I133-L170 HydrophobicContact CD1-CG 4.26Å; I133-L170 HydrophobicContact CG1-CD2 4.13Å; I133-L170 HydrophobicContact CG1-CG 4.25Å; I133-L170 HydrophobicContact CG2-CD2 4.41Å; I133-L171 HydrophobicContact CD1-CB 4.34Å; I133-L171 HydrophobicContact CD1-CD1 4.16Å; I133-H174 HydrophobicContact CD1-CB 4.42Å
134	E	97	Very high	96.5	Very high	159 Å²	159	43.2 Å²	43.2	74%	0.743	21%	0.212	S	C	*	.	H	α-helix	trans	-62.1	-51.8	-179	-74.9	-178.4	-172.3	0	0	112.6	M132 V136 M137 E138	M132-E134 PolarHBondContact O-N 3.01Å; E134-V136 VanDerWaalsContact C-N 3.26Å; E134-V136 PolarHBondContact O-N 2.91Å; E134-M137 PolarHBondContact O-N 3.21Å; E134-E138 WeakPolarHBondContact O-CB 3.32Å; E134-E138 PolarHBondContact O-N 3.43Å
135	P	96.7	Very high	96.4	Very high	58 Å²	58	49.4 Å²	49.4	38%	0.377	24%	0.241	S	C	.	.	H	α-helix	trans	-56.7	-38.4	173.1	-26.4	32.3	0	0	0	113.8	M132 E138 S139	M132-P135 WeakPolarHBondContact O-CD 3.47Å; P135-E138 PolarHBondContact O-N 2.85Å; P135-S139 PolarHBondContact O-N 2.81Å
136	V	97.9	Very high	96.1	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66.8	-47.3	-180	167.7	0	0	0	0	110.5	M84 V86 L111 M132 I133 E134 E138 S139 F140 F167 L171	M84-V136 HydrophobicContact SD-CG1 3.97Å; V86-V136 HydrophobicContact CG1-CG2 3.71Å; V86-V136 HydrophobicContact CG2-CG1 4.35Å; V86-V136 HydrophobicContact CG2-CG2 4.12Å; L111-V136 HydrophobicContact CB-CG2 4.47Å; L111-V136 HydrophobicContact CD1-CB 4.2Å; L111-V136 HydrophobicContact CD1-CG2 3.57Å; M132-V136 WeakPolarHBondContact O-CB 3.38Å; M132-V136 WeakPolarHBondContact O-CG2 3.19Å; M132-V136 PolarHBondContact O-N 2.86Å; I133-V136 PolarHBondContact O-N 2.82Å; E134-V136 VanDerWaalsContact C-N 3.26Å; E134-V136 PolarHBondContact O-N 2.91Å; V136-E138 VanDerWaalsContact C-N 3.32Å; V136-E138 PolarHBondContact O-N 2.88Å; V136-S139 PolarHBondContact O-N 2.88Å; V136-F140 HydrophobicContact CG1-CD2 3.75Å; V136-F140 HydrophobicContact CG1-CE2 3.52Å; V136-F140 WeakPolarHBondContact O-CD2 3.37Å; V136-F140 PolarHBondContact O-N 2.68Å; V136-F167 HydrophobicContact CB-CZ 4.15Å; V136-F167 HydrophobicContact CG1-CZ 4.1Å; V136-F167 HydrophobicContact CG2-CE1 4.43Å; V136-F167 HydrophobicContact CG2-CZ 3.83Å; V136-L171 HydrophobicContact CG1-CD1 4.05Å
137	M	97.8	Very high	95.8	Very high	12 Å²	12	48.7 Å²	48.7	6%	0.059	25%	0.247	C	C	.	.	H	α-helix	trans	-64.1	-35.7	176.9	-69.3	-53.7	-63.3	0	0	112.4	I133 E134 F140 R141 L171 H174 L175 E178 Y179	I133-M137 HydrophobicContact CD1-CG 4.12Å; I133-M137 HydrophobicContact CD1-SD 4.49Å; I133-M137 HydrophobicContact CG1-CG 4.14Å; I133-M137 WeakPolarHBondContact O-CB 3.13Å; I133-M137 VanDerWaalsContact O-CG 3.31Å; I133-M137 WeakPolarHBondContact O-CG 3.39Å; I133-M137 PolarHBondContact O-N 3.16Å; E134-M137 PolarHBondContact O-N 3.21Å; M137-F140 WeakPolarHBondContact O-CB 3.47Å; M137-F140 PolarHBondContact O-N 2.81Å; M137-F140 HydrophobicContact SD-CD2 4.11Å; M137-R141 PolarHBondContact O-N 2.96Å; M137-L171 HydrophobicContact SD-CD1 3.86Å; M137-H174 HydrophobicContact CE-CB 4.02Å; M137-H174 HydrophobicContact CG-CB 4.22Å; M137-H174 HydrophobicContact SD-CB 3.76Å; M137-L175 HydrophobicContact CE-CD2 4.28Å; M137-L175 HydrophobicContact SD-CD2 4.34Å; M137-E178 HydrophobicContact CE-CB 4.41Å; M137-E178 HydrophobicContact CE-CG 4.23Å; M137-E178 WeakPolarHBondContact CE-OE2 3.48Å; M137-Y179 HydrophobicContact CE-CE2 4.1Å
138	E	97.5	Very high	95.5	Very high	75 Å²	75	50.8 Å²	50.8	35%	0.35	26%	0.264	S	S	.	.	H	α-helix	trans	-64.5	-41.3	172.6	174	55.5	-162.6	0	0	112.1	E134 P135 V136 F140 R141 K142	E134-E138 WeakPolarHBondContact O-CB 3.32Å; E134-E138 PolarHBondContact O-N 3.43Å; P135-E138 PolarHBondContact O-N 2.85Å; V136-E138 VanDerWaalsContact C-N 3.32Å; V136-E138 PolarHBondContact O-N 2.88Å; E138-F140 VanDerWaalsContact C-N 3.34Å; E138-R141 PolarHBondContact O-N 2.75Å; E138-R141 IonicContact OE1-CZ 3.82Å; E138-R141 IonicContact OE1-NE 3.5Å; E138-R141 IonicContact OE1-NH2 2.68Å; E138-R141 PolarHBondContact OE1-NH2 3.29Å; E138-R141 IonicContact OE2-CZ 3.8Å; E138-R141 IonicContact OE2-NE 2.67Å; E138-R141 PolarHBondContact OE2-NE 2.84Å; E138-R141 IonicContact OE2-NH2 2.74Å; E138-R141 PolarHBondContact OE2-NH2 2.88Å; E138-K142 WeakPolarHBondContact O-CG 3.45Å; E138-K142 PolarHBondContact O-N 2.78Å; E138-K142 VanDerWaalsContact O-N 3.14Å; E138-K142 WeakPolarHBondContact OE1-CE 3.32Å
139	S	96.5	Very high	95.2	Very high	6 Å²	6	53.2 Å²	53.2	4%	0.042	28%	0.282	C	S	.	.	H	α-helix	trans	-65.8	-35.8	172.3	-77.2	0	0	0	0	112.3	D108 P135 V136 K142 I143	D108-S139 PolarHBondContact O-OG 2.87Å; D108-S139 VanDerWaalsContact O-OG 3.05Å; P135-S139 PolarHBondContact O-N 2.81Å; V136-S139 PolarHBondContact O-N 2.88Å; S139-K142 PolarHBondContact O-N 3.25Å; S139-I143 WeakPolarHBondContact O-CG1 3.46Å; S139-I143 PolarHBondContact O-N 3.25Å; S139-I143 VanDerWaalsContact O-N 3.15Å
140	F	96.2	Very high	94.9	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61	-47.4	173.1	-89.8	-71.8	0	0	0	111.6	I21 V23 M84 V136 M137 E138 K142 I143 A144 F153 L171 L175	I21-F140 HydrophobicContact CG2-CD1 4.32Å; I21-F140 HydrophobicContact CG2-CE1 4.02Å; V23-F140 HydrophobicContact CB-CZ 4.09Å; V23-F140 HydrophobicContact CG1-CE1 4.47Å; V23-F140 HydrophobicContact CG1-CE2 4.36Å; V23-F140 HydrophobicContact CG1-CZ 3.6Å; V23-F140 HydrophobicContact CG2-CE1 3.38Å; V23-F140 HydrophobicContact CG2-CZ 3.33Å; M84-F140 HydrophobicContact CE-CB 4.31Å; M84-F140 HydrophobicContact CE-CD1 3.96Å; M84-F140 HydrophobicContact CE-CD2 3.65Å; M84-F140 HydrophobicContact CE-CE1 4.17Å; M84-F140 HydrophobicContact CE-CE2 3.82Å; M84-F140 HydrophobicContact CE-CG 3.71Å; M84-F140 HydrophobicContact CE-CZ 4.1Å; M84-F140 HydrophobicContact SD-CD2 4.11Å; M84-F140 HydrophobicContact SD-CE2 3.8Å; M84-F140 HydrophobicContact SD-CZ 4.21Å; V136-F140 HydrophobicContact CG1-CD2 3.75Å; V136-F140 HydrophobicContact CG1-CE2 3.52Å; V136-F140 WeakPolarHBondContact O-CD2 3.37Å; V136-F140 PolarHBondContact O-N 2.68Å; M137-F140 WeakPolarHBondContact O-CB 3.47Å; M137-F140 PolarHBondContact O-N 2.81Å; M137-F140 HydrophobicContact SD-CD2 4.11Å; E138-F140 VanDerWaalsContact C-N 3.34Å; F140-K142 VanDerWaalsContact C-N 3.29Å; F140-K142 PolarHBondContact O-N 3.48Å; F140-I143 PolarHBondContact O-N 3.28Å; F140-A144 VanDerWaalsContact O-CB 3.27Å; F140-A144 WeakPolarHBondContact O-CB 3.35Å; F140-A144 PolarHBondContact O-N 3.31Å; F140-F153 HydrophobicContact CD1-CD1 4.16Å; F140-F153 AromaticContact CD1-CE1 3.81Å; F140-F153 HydrophobicContact CD1-CE1 3.81Å; F140-F153 AromaticContact CE1-CD1 3.82Å; F140-F153 HydrophobicContact CE1-CD1 3.82Å; F140-F153 AromaticContact CE1-CE1 3.96Å; F140-F153 HydrophobicContact CE1-CE1 3.96Å; F140-L171 HydrophobicContact CD2-CD1 4.11Å; F140-L171 HydrophobicContact CE2-CD1 3.47Å; F140-L171 VanDerWaalsContact CE2-CD1 3.47Å; F140-L171 HydrophobicContact CE2-CD2 4.05Å; F140-L171 HydrophobicContact CE2-CG 4.35Å; F140-L171 HydrophobicContact CZ-CD1 4.14Å; F140-L171 HydrophobicContact CZ-CD2 4.15Å; F140-L175 HydrophobicContact CD1-CD2 4.15Å; F140-L175 HydrophobicContact CD2-CD2 4.4Å; F140-L175 HydrophobicContact CE1-CD2 4.19Å; F140-L175 HydrophobicContact CE2-CD2 4.48Å; F140-L175 HydrophobicContact CG-CD2 4.25Å; F140-L175 HydrophobicContact CZ-CD1 4.4Å; F140-L175 HydrophobicContact CZ-CD2 4.35Å
141	R	96.5	Very high	94.7	Very high	88 Å²	88	49 Å²	49	33%	0.332	26%	0.264	S	S	.	.	H	α-helix	trans	-55	-46.1	177.3	-170.7	-170.9	65.3	70.9	8.4	111	M137 E138 I143 A144 E145	M137-R141 PolarHBondContact O-N 2.96Å; E138-R141 PolarHBondContact O-N 2.75Å; E138-R141 IonicContact OE1-CZ 3.82Å; E138-R141 IonicContact OE1-NE 3.5Å; E138-R141 IonicContact OE1-NH2 2.68Å; E138-R141 PolarHBondContact OE1-NH2 3.29Å; E138-R141 IonicContact OE2-CZ 3.8Å; E138-R141 IonicContact OE2-NE 2.67Å; E138-R141 PolarHBondContact OE2-NE 2.84Å; E138-R141 IonicContact OE2-NH2 2.74Å; E138-R141 PolarHBondContact OE2-NH2 2.88Å; R141-I143 PolarHBondContact O-N 3.24Å; R141-A144 PolarHBondContact O-N 3.06Å; R141-E145 IonicContact CZ-OE1 3.48Å; R141-E145 IonicContact CZ-OE2 3.61Å; R141-E145 IonicContact NH1-OE1 3.3Å; R141-E145 PolarHBondContact NH1-OE1 3.45Å; R141-E145 IonicContact NH1-OE2 2.69Å; R141-E145 PolarHBondContact NH1-OE2 3.2Å; R141-E145 WeakPolarHBondContact O-CB 3.2Å; R141-E145 VanDerWaalsContact O-CG 3.29Å; R141-E145 WeakPolarHBondContact O-CG 3.49Å; R141-E145 PolarHBondContact O-N 3.16Å
142	K	96.4	Very high	94.6	Very high	84 Å²	84	44 Å²	44	37%	0.365	23%	0.234	S	C	.	.	H	α-helix	trans	-60.3	-44.2	177.7	-69.8	173.2	-176.5	174.7	0	113.4	F109 E138 S139 F140 S146	F109-K142 HydrophobicContact CE1-CB 4.19Å; F109-K142 HydrophobicContact CZ-CB 4.5Å; E138-K142 WeakPolarHBondContact O-CG 3.45Å; E138-K142 PolarHBondContact O-N 2.78Å; E138-K142 VanDerWaalsContact O-N 3.14Å; E138-K142 WeakPolarHBondContact OE1-CE 3.32Å; S139-K142 PolarHBondContact O-N 3.25Å; F140-K142 VanDerWaalsContact C-N 3.29Å; F140-K142 PolarHBondContact O-N 3.48Å; K142-S146 PolarHBondContact O-N 2.85Å
143	I	95	Very high	94.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-70.7	-40	177.8	-56.8	169.6	0	0	0	110.5	I21 R82 M84 F109 S139 F140 R141 E145 S146 C147	I21-I143 HydrophobicContact CD1-CB 3.95Å; I21-I143 HydrophobicContact CD1-CG2 3.59Å; I21-I143 HydrophobicContact CG1-CB 4.48Å; I21-I143 HydrophobicContact CG1-CG2 3.63Å; I21-I143 HydrophobicContact CG2-CD1 4.41Å; I21-I143 HydrophobicContact CG2-CG2 4.33Å; R82-I143 HydrophobicContact CB-CG2 4.35Å; M84-I143 HydrophobicContact CB-CD1 4.46Å; M84-I143 HydrophobicContact CE-CD1 3.88Å; F109-I143 HydrophobicContact CB-CD1 4.23Å; F109-I143 HydrophobicContact CD1-CD1 3.73Å; F109-I143 HydrophobicContact CD1-CG1 3.79Å; F109-I143 HydrophobicContact CD2-CD1 3.71Å; F109-I143 HydrophobicContact CD2-CG1 3.79Å; F109-I143 HydrophobicContact CE1-CD1 3.98Å; F109-I143 HydrophobicContact CE1-CG1 3.47Å; F109-I143 VanDerWaalsContact CE1-CG1 3.47Å; F109-I143 HydrophobicContact CE2-CD1 3.99Å; F109-I143 HydrophobicContact CE2-CG1 3.5Å; F109-I143 HydrophobicContact CG-CD1 3.61Å; F109-I143 HydrophobicContact CG-CG1 3.96Å; F109-I143 HydrophobicContact CZ-CD1 4.12Å; F109-I143 HydrophobicContact CZ-CG1 3.33Å; S139-I143 WeakPolarHBondContact O-CG1 3.46Å; S139-I143 PolarHBondContact O-N 3.25Å; S139-I143 VanDerWaalsContact O-N 3.15Å; F140-I143 PolarHBondContact O-N 3.28Å; R141-I143 PolarHBondContact O-N 3.24Å; I143-E145 VanDerWaalsContact C-N 3.34Å; I143-E145 PolarHBondContact O-N 3.41Å; I143-S146 PolarHBondContact O-N 3.34Å; I143-S146 PolarHBondContact O-OG 3.11Å; I143-C147 PolarHBondContact O-N 3.33Å; I143-C147 PolarHBondContact O-SG 3.39Å
144	A	94.1	Very high	94.5	Very high	15 Å²	15	42.8 Å²	42.8	12%	0.124	23%	0.228	C	C	.	.	H	α-helix	trans	-64.7	-39.1	179.7	0	0	0	0	0	111.9	I21 F140 R141 S146 C147 L150 Y179	I21-A144 HydrophobicContact CD1-CB 4.28Å; F140-A144 VanDerWaalsContact O-CB 3.27Å; F140-A144 WeakPolarHBondContact O-CB 3.35Å; F140-A144 PolarHBondContact O-N 3.31Å; R141-A144 PolarHBondContact O-N 3.06Å; A144-S146 VanDerWaalsContact C-N 3.27Å; A144-S146 PolarHBondContact O-N 3.39Å; A144-C147 WeakPolarHBondContact O-CB 3.35Å; A144-C147 PolarHBondContact O-N 3.15Å; A144-C147 VanDerWaalsContact O-N 3.12Å; A144-L150 HydrophobicContact CB-CD2 4Å; A144-Y179 HydrophobicContact CB-CE1 3.93Å
145	E	94.2	Very high	94.6	Very high	129 Å²	129	35.2 Å²	35.2	60%	0.603	19%	0.192	S	C	*	.	H	α-helix	trans	-68.1	-24.3	174.5	-75.2	174.2	178.4	0	0	113.4	R141 I143 C147	R141-E145 IonicContact CZ-OE1 3.48Å; R141-E145 IonicContact CZ-OE2 3.61Å; R141-E145 IonicContact NH1-OE1 3.3Å; R141-E145 PolarHBondContact NH1-OE1 3.45Å; R141-E145 IonicContact NH1-OE2 2.69Å; R141-E145 PolarHBondContact NH1-OE2 3.2Å; R141-E145 WeakPolarHBondContact O-CB 3.2Å; R141-E145 VanDerWaalsContact O-CG 3.29Å; R141-E145 WeakPolarHBondContact O-CG 3.49Å; R141-E145 PolarHBondContact O-N 3.16Å; I143-E145 VanDerWaalsContact C-N 3.34Å; I143-E145 PolarHBondContact O-N 3.41Å; E145-C147 VanDerWaalsContact C-N 3.25Å
146	S	91.6	Very high	94.7	Very high	50 Å²	50	32.6 Å²	32.6	35%	0.35	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-3.2	172.3	85.9	0	0	0	0	113.4	Q72 R82 K142 I143 A144	Q72-S146 PolarHBondContact OE1-OG 3.07Å; R82-S146 PolarHBondContact NH1-O 2.96Å; R82-S146 VanDerWaalsContact NH1-O 3.08Å; R82-S146 PolarHBondContact NH1-OG 3.49Å; R82-S146 VanDerWaalsContact NH1-OG 3.16Å; K142-S146 PolarHBondContact O-N 2.85Å; I143-S146 PolarHBondContact O-N 3.34Å; I143-S146 PolarHBondContact O-OG 3.11Å; A144-S146 VanDerWaalsContact C-N 3.27Å; A144-S146 PolarHBondContact O-N 3.39Å
147	C	91.9	Very high	94.7	Very high	17 Å²	17	32.6 Å²	32.6	12%	0.115	18%	0.175	C	C	.	.			trans	-93	133.2	174.3	-59.1	0	0	0	0	110.1	E19 R82 I143 A144 E145 L150	E19-C147 HydrophobicContact CB-CB 4.07Å; E19-C147 HydrophobicContact CG-CB 4.49Å; E19-C147 VanDerWaalsContact OE1-CA 3.29Å; E19-C147 WeakPolarHBondContact OE1-CA 3.46Å; R82-C147 PolarHBondContact NH1-SG 3.05Å; I143-C147 PolarHBondContact O-N 3.33Å; I143-C147 PolarHBondContact O-SG 3.39Å; A144-C147 WeakPolarHBondContact O-CB 3.35Å; A144-C147 PolarHBondContact O-N 3.15Å; A144-C147 VanDerWaalsContact O-N 3.12Å; E145-C147 VanDerWaalsContact C-N 3.25Å; C147-L150 HydrophobicContact CB-CB 4.01Å
148	S	90.1	Very high	94.6	Very high	90 Å²	90	32.8 Å²	32.8	63%	0.629	18%	0.178	S	C	*	.	S	Bend	trans	-71.2	-36.2	171.8	-61	0	0	0	0	112.3	Q17 E19	Q17-S148 PolarHBondContact OE1-OG 3.48Å; E19-S148 VanDerWaalsContact CD-N 3.35Å; E19-S148 PolarHBondContact OE1-N 3.23Å; E19-S148 VanDerWaalsContact OE1-N 3.07Å; E19-S148 PolarHBondContact OE2-N 2.62Å
149	S	88.7	Confident	94.5	Very high	63 Å²	63	29.4 Å²	29.4	44%	0.441	16%	0.162	S	C	.	.	S	Bend	trans	-154.4	77.3	-178.1	176	0	0	0	0	110.7	Q17 E19 Q151	Q17-S149 WeakPolarHBondContact O-CB 3.45Å; E19-S149 PolarHBondContact N-O 3.1Å; E19-S149 PolarHBondContact OE2-N 3.19Å; S149-Q151 PolarHBondContact O-N 2.98Å
150	L	92	Very high	94.3	Very high	11 Å²	11	29.2 Å²	29.2	6%	0.058	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	123.9	172.4	179.4	63.4	0	0	0	111.1	I21 A144 C147 G152 F153 Y179 K182	I21-L150 HydrophobicContact CB-CD1 4.5Å; I21-L150 HydrophobicContact CD1-CD1 3.74Å; I21-L150 HydrophobicContact CD1-CD2 4.06Å; I21-L150 HydrophobicContact CG1-CD1 3.7Å; A144-L150 HydrophobicContact CB-CD2 4Å; C147-L150 HydrophobicContact CB-CB 4.01Å; L150-G152 WeakPolarHBondContact CD1-O 3.26Å; L150-F153 HydrophobicContact CD2-CE1 4.13Å; L150-F153 HydrophobicContact CD2-CZ 3.88Å; L150-Y179 HydrophobicContact CD2-CD1 4.45Å; L150-K182 HydrophobicContact CG-CD 4.47Å; L150-K182 VanDerWaalsContact O-CD 3.31Å; L150-K182 WeakPolarHBondContact O-CD 3.29Å; L150-K182 VanDerWaalsContact O-CE 3.25Å; L150-K182 WeakPolarHBondContact O-CE 3.19Å; L150-K182 PolarHBondContact O-NZ 3.1Å
151	Q	90.3	Very high	94.1	Very high	38 Å²	38	29.9 Å²	29.9	18%	0.178	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-38.5	174	-68.8	-162.3	-23	0	0	112.7	R18 E19 V20 S149 A183 D269	R18-Q151 HydrophobicContact CB-CG 4.23Å; R18-Q151 VanDerWaalsContact CG-NE2 3.28Å; E19-Q151 PolarHBondContact O-N 3.15Å; V20-Q151 HydrophobicContact CG2-CB 4.38Å; S149-Q151 PolarHBondContact O-N 2.98Å; Q151-A183 PolarHBondContact O-N 3.02Å; Q151-A183 VanDerWaalsContact O-N 3.08Å; Q151-D269 PolarHBondContact NE2-OD1 2.71Å; Q151-D269 PolarHBondContact OE1-OD1 2.83Å
152	G	93.2	Very high	94	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.5	-174.7	-168.8	0	0	0	0	0	114.9	I21 L150 A183	I21-G152 PolarHBondContact N-O 3.45Å; I21-G152 VanDerWaalsContact N-O 3.13Å; L150-G152 WeakPolarHBondContact CD1-O 3.26Å; G152-A183 CarbonylContact C-O 3.54Å; G152-A183 WeakPolarHBondContact CA-O 3.18Å
153	F	95.5	Very high	94	Very high	1 Å²	1	22.4 Å²	22.4	0%	0.004	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.3	-179.5	-51.3	-82.3	0	0	0	109.4	I21 F140 L150 V155 L175 Y179 K182 A183 K184 L185	I21-F153 HydrophobicContact CB-CD1 3.95Å; I21-F153 HydrophobicContact CB-CE1 4.35Å; I21-F153 HydrophobicContact CD1-CD1 4.44Å; I21-F153 HydrophobicContact CD1-CE1 3.98Å; I21-F153 HydrophobicContact CG2-CD1 4.38Å; I21-F153 WeakPolarHBondContact O-CA 3.3Å; F140-F153 HydrophobicContact CD1-CD1 4.16Å; F140-F153 AromaticContact CD1-CE1 3.81Å; F140-F153 HydrophobicContact CD1-CE1 3.81Å; F140-F153 AromaticContact CE1-CD1 3.82Å; F140-F153 HydrophobicContact CE1-CD1 3.82Å; F140-F153 AromaticContact CE1-CE1 3.96Å; F140-F153 HydrophobicContact CE1-CE1 3.96Å; L150-F153 HydrophobicContact CD2-CE1 4.13Å; L150-F153 HydrophobicContact CD2-CZ 3.88Å; F153-V155 HydrophobicContact CB-CG2 4.35Å; F153-L175 HydrophobicContact CD1-CD2 4.37Å; F153-L175 HydrophobicContact CD2-CD1 4.34Å; F153-L175 HydrophobicContact CD2-CD2 4.48Å; F153-L175 HydrophobicContact CE1-CD2 4.01Å; F153-L175 HydrophobicContact CE2-CD2 4.12Å; F153-L175 HydrophobicContact CG-CD1 4.21Å; F153-L175 HydrophobicContact CZ-CD2 3.88Å; F153-Y179 HydrophobicContact CE2-CD2 4.29Å; F153-Y179 AromaticContact CE2-CG 3.93Å; F153-Y179 HydrophobicContact CE2-CG 3.93Å; F153-Y179 AromaticContact CZ-CD1 3.99Å; F153-Y179 HydrophobicContact CZ-CD1 3.99Å; F153-Y179 AromaticContact CZ-CD2 3.85Å; F153-Y179 HydrophobicContact CZ-CD2 3.85Å; F153-Y179 HydrophobicContact CZ-CE1 4.5Å; F153-Y179 HydrophobicContact CZ-CE2 4.4Å; F153-Y179 AromaticContact CZ-CG 3.64Å; F153-Y179 HydrophobicContact CZ-CG 3.64Å; F153-K182 HydrophobicContact CD2-CB 4.34Å; F153-K182 HydrophobicContact CE2-CB 3.85Å; F153-K182 HydrophobicContact CE2-CG 4.42Å; F153-A183 PolarHBondContact N-O 3.45Å; F153-K184 HydrophobicContact CD2-CG 4.11Å; F153-L185 PolarHBondContact O-N 3.06Å
154	V	96	Very high	94.1	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.012	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	107.8	171.2	180	0	0	0	0	107.6	V20 I21 S22 V23 F156 L185 F187	V20-V154 HydrophobicContact CG1-CB 4.26Å; V20-V154 HydrophobicContact CG1-CG2 3.46Å; V20-V154 VanDerWaalsContact CG1-CG2 3.46Å; I21-V154 PolarHBondContact O-N 2.99Å; S22-V154 CarbonylContact C-O 3.53Å; S22-V154 WeakPolarHBondContact CA-O 3.32Å; V23-V154 PolarHBondContact N-O 2.88Å; V154-F156 HydrophobicContact CB-CE2 4.17Å; V154-F156 HydrophobicContact CG1-CD2 4.25Å; V154-F156 HydrophobicContact CG1-CE1 4.49Å; V154-F156 HydrophobicContact CG1-CE2 3.41Å; V154-F156 VanDerWaalsContact CG1-CE2 3.41Å; V154-F156 HydrophobicContact CG1-CZ 3.56Å; V154-L185 CarbonylContact C-O 3.54Å; V154-L185 WeakPolarHBondContact CA-O 3.48Å; V154-L185 HydrophobicContact CG2-CB 4.48Å; V154-F187 HydrophobicContact CG1-CD2 3.38Å; V154-F187 HydrophobicContact CG1-CE2 3.4Å; V154-F187 VanDerWaalsContact CG1-CE2 3.4Å
155	V	98	Very high	94.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123.2	-171.6	-174.4	0	0	0	0	110.1	V23 F153 T168 L172 L185 Q186 F187	V23-V155 HydrophobicContact CB-CG2 4.4Å; V23-V155 HydrophobicContact CG2-CG2 4.49Å; V23-V155 CarbonylContact O-C 3.6Å; V23-V155 WeakPolarHBondContact O-CA 3.32Å; F153-V155 HydrophobicContact CB-CG2 4.35Å; V155-T168 HydrophobicContact CG1-CG2 3.81Å; V155-L172 HydrophobicContact CG2-CD2 4.24Å; V155-L185 PolarHBondContact N-O 3.11Å; V155-Q186 HydrophobicContact CB-CG 4.37Å; V155-Q186 CarbonylContact O-C 3.51Å; V155-Q186 VanDerWaalsContact O-CA 3.28Å; V155-Q186 WeakPolarHBondContact O-CA 3.42Å; V155-F187 PolarHBondContact O-N 3.14Å
156	F	98.5	Very high	94.4	Very high	3 Å²	3	15.8 Å²	15.8	1%	0.013	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	121.5	178.3	-59.9	-99.3	0	0	0	109.1	V23 H24 V25 G29 I32 V154 F187 V253	V23-F156 PolarHBondContact O-N 3.31Å; H24-F156 AromaticContact CE1-CD2 3.14Å; H24-F156 WeakPolarHBondContact CE1-CD2 3.43Å; H24-F156 AromaticContact CE1-CE2 3.36Å; H24-F156 WeakPolarHBondContact CE1-CE2 3.46Å; H24-F156 AromaticContact CE1-CG 3.67Å; H24-F156 AromaticContact ND1-CD2 3.27Å; H24-F156 VanDerWaalsContact ND1-CD2 3.27Å; H24-F156 WeakPolarHBondContact ND1-CD2 3.34Å; H24-F156 AromaticContact ND1-CE2 3.97Å; H24-F156 AromaticContact ND1-CG 3.44Å; H24-F156 WeakPolarHBondContact ND1-CG 3.22Å; V25-F156 PolarHBondContact N-O 3.06Å; G29-F156 WeakPolarHBondContact CA-O 3.28Å; I32-F156 HydrophobicContact CG2-CD1 3.81Å; I32-F156 HydrophobicContact CG2-CE1 4.3Å; V154-F156 HydrophobicContact CB-CE2 4.17Å; V154-F156 HydrophobicContact CG1-CD2 4.25Å; V154-F156 HydrophobicContact CG1-CE1 4.49Å; V154-F156 HydrophobicContact CG1-CE2 3.41Å; V154-F156 VanDerWaalsContact CG1-CE2 3.41Å; V154-F156 HydrophobicContact CG1-CZ 3.56Å; F156-F187 WeakPolarHBondContact CA-O 3.18Å; F156-F187 HydrophobicContact CD1-CB 3.56Å; F156-F187 HydrophobicContact CD1-CD2 4.21Å; F156-F187 HydrophobicContact CD1-CG 4.14Å; F156-F187 HydrophobicContact CE1-CB 3.77Å; F156-F187 AromaticContact CE1-CD2 3.62Å; F156-F187 HydrophobicContact CE1-CD2 3.62Å; F156-F187 HydrophobicContact CE1-CE2 4.41Å; F156-F187 AromaticContact CE1-CG 3.81Å; F156-F187 HydrophobicContact CE1-CG 3.81Å; F156-F187 HydrophobicContact CG-CB 4.3Å; F156-F187 AromaticContact CZ-CD2 3.8Å; F156-F187 HydrophobicContact CZ-CD2 3.8Å; F156-F187 HydrophobicContact CZ-CE2 4.34Å; F156-F187 HydrophobicContact CZ-CG 4.45Å; F156-V253 HydrophobicContact CE1-CB 4.41Å; F156-V253 HydrophobicContact CE1-CG1 3.77Å; F156-V253 HydrophobicContact CE1-CG2 3.73Å; F156-V253 HydrophobicContact CZ-CG1 3.73Å
157	H	98	Very high	94.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	-179.1	-176.3	75.8	122.9	0	0	0	111.9	V25 F159 G164 T168 Q186 F187 S188 I189	V25-H157 HydrophobicContact CB-CB 4.39Å; H157-F159 AromaticContact CE1-CD2 3.52Å; H157-F159 AromaticContact CE1-CE2 3.36Å; H157-F159 WeakPolarHBondContact CE1-CE2 3.48Å; H157-F159 AromaticContact NE2-CD2 3.89Å; H157-F159 AromaticContact NE2-CE2 3.47Å; H157-F159 WeakPolarHBondContact NE2-CE2 3.24Å; H157-G164 WeakPolarHBondContact CB-O 3.32Å; H157-G164 PolarHBondContact ND1-O 3.11Å; H157-T168 HydrophobicContact CB-CG2 4.15Å; H157-Q186 PolarHBondContact CE1-OE1 2.87Å; H157-Q186 PolarHBondContact NE2-OE1 3.11Å; H157-F187 PolarHBondContact N-O 3.03Å; H157-S188 PolarHBondContact CD2-OG 2.69Å; H157-S188 VanDerWaalsContact CD2-OG 3.26Å; H157-S188 PolarHBondContact NE2-OG 2.9Å; H157-S188 WeakPolarHBondContact O-CA 3.48Å; H157-I189 PolarHBondContact O-N 2.95Å
158	S	96.5	Very high	95	Very high	17 Å²	17	12.6 Å²	12.6	12%	0.119	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.3	171.3	178.2	0	0	0	0	110.8	G160 G164 S165 I189	S158-G160 PolarHBondContact O-N 3.18Å; S158-G160 PolarHBondContact OG-N 2.69Å; S158-G164 CarbonylContact O-C 3.5Å; S158-G164 VanDerWaalsContact O-O 3.13Å; S158-S165 PolarHBondContact O-N 3.45Å; S158-I189 WeakPolarHBondContact CA-O 3.03Å; S158-I189 PolarHBondContact OG-O 3.44Å
159	F	95.6	Very high	95.4	Very high	4 Å²	4	8.3 Å²	8.3	2%	0.018	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-20.5	176.4	-82.5	-128	0	0	0	112.2	H157 S165 I189 Y190 N204 A205 T208 T209 F285	H157-F159 AromaticContact CE1-CD2 3.52Å; H157-F159 AromaticContact CE1-CE2 3.36Å; H157-F159 WeakPolarHBondContact CE1-CE2 3.48Å; H157-F159 AromaticContact NE2-CD2 3.89Å; H157-F159 AromaticContact NE2-CE2 3.47Å; H157-F159 WeakPolarHBondContact NE2-CE2 3.24Å; F159-S165 WeakPolarHBondContact O-CB 3.44Å; F159-I189 PolarHBondContact N-O 3.28Å; F159-Y190 HydrophobicContact CB-CD2 4.16Å; F159-Y190 AromaticContact CD1-CD2 3.65Å; F159-Y190 HydrophobicContact CD1-CD2 3.65Å; F159-Y190 AromaticContact CD1-CE2 3.55Å; F159-Y190 HydrophobicContact CD1-CE2 3.55Å; F159-Y190 HydrophobicContact CD2-CD2 4.43Å; F159-Y190 HydrophobicContact CE1-CD2 4.11Å; F159-Y190 AromaticContact CE1-CE2 3.97Å; F159-Y190 HydrophobicContact CE1-CE2 3.97Å; F159-Y190 AromaticContact CG-CD2 3.83Å; F159-Y190 HydrophobicContact CG-CD2 3.83Å; F159-Y190 HydrophobicContact CG-CE2 4.18Å; F159-N204 CarbonylContact O-C 3.54Å; F159-N204 VanDerWaalsContact O-C 3.25Å; F159-N204 WeakPolarHBondContact O-CB 3.44Å; F159-A205 HydrophobicContact CB-CB 3.89Å; F159-A205 HydrophobicContact CD1-CB 4.48Å; F159-A205 VanDerWaalsContact O-CA 3.27Å; F159-A205 WeakPolarHBondContact O-CA 3.31Å; F159-A205 PolarHBondContact O-N 3.38Å; F159-A205 VanDerWaalsContact O-N 3.11Å; F159-T208 HydrophobicContact CD1-CG2 3.92Å; F159-T208 HydrophobicContact CD2-CG2 4.09Å; F159-T208 HydrophobicContact CE1-CG2 4.03Å; F159-T208 HydrophobicContact CE2-CG2 4.17Å; F159-T208 HydrophobicContact CG-CG2 3.96Å; F159-T208 HydrophobicContact CZ-CG2 4.15Å; F159-T209 WeakPolarHBondContact CE1-OG1 3.41Å; F159-F285 HydrophobicContact CZ-CE1 4.48Å
160	G	92	Very high	95.8	Very high	1 Å²	1	5.9 Å²	5.9	1%	0.01	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-22.9	-175.2	0	0	0	0	0	115.8	S158 N204	S158-G160 PolarHBondContact O-N 3.18Å; S158-G160 PolarHBondContact OG-N 2.69Å; G160-N204 PolarHBondContact O-ND2 2.81Å
161	G	92	Very high	96.1	Very high	15 Å²	15	5.4 Å²	5.4	16%	0.155	4%	0.035	C	C	.	.	S	Bend	trans	-90.8	154.2	-173.6	0	0	0	0	0	113	S165	G161-S165 WeakPolarHBondContact O-CB 3.47Å; G161-S165 PolarHBondContact O-N 3.41Å; G161-S165 PolarHBondContact O-OG 3.17Å
162	G	94.7	Very high	96.5	Very high	3 Å²	3	3.6 Å²	3.6	3%	0.031	3%	0.026	C	C	.	.	H	α-helix	trans	-62.6	-54.4	-177.9	0	0	0	0	0	113.4	S165 G166	G162-S165 PolarHBondContact O-OG 3.29Å; G162-G166 PolarHBondContact O-N 3.35Å
163	T	97.1	Very high	96.6	Very high	11 Å²	11	6.4 Å²	6.4	7%	0.067	4%	0.039	C	C	.	.	I	π-helix	trans	-64.4	-50.3	175.1	-50.1	0	0	0	0	111.6	V25 D87 L88 S165 F167 T168	V25-T163 HydrophobicContact CG1-CG2 3.94Å; D87-T163 WeakPolarHBondContact OD1-CG2 3.23Å; D87-T163 PolarHBondContact OD1-OG1 3.42Å; L88-T163 HydrophobicContact CD1-CG2 4.28Å; L88-T163 HydrophobicContact CG-CG2 3.84Å; T163-S165 PolarHBondContact O-N 2.94Å; T163-F167 HydrophobicContact CG2-CB 4.07Å; T163-F167 HydrophobicContact CG2-CD1 4.35Å; T163-F167 VanDerWaalsContact O-CB 3.27Å; T163-F167 WeakPolarHBondContact O-CB 3.3Å; T163-F167 PolarHBondContact O-N 3.18Å; T163-F167 VanDerWaalsContact O-N 3.14Å; T163-T168 PolarHBondContact O-N 2.93Å
164	G	96.3	Very high	96.7	Very high	5 Å²	5	9.3 Å²	9.3	5%	0.052	5%	0.053	C	C	.	.	I	π-helix	trans	-64.5	-21.7	-177.1	0	0	0	0	0	114.1	H157 S158 T168	H157-G164 WeakPolarHBondContact CB-O 3.32Å; H157-G164 PolarHBondContact ND1-O 3.11Å; S158-G164 CarbonylContact O-C 3.5Å; S158-G164 VanDerWaalsContact O-O 3.13Å; G164-T168 WeakPolarHBondContact O-CB 3.46Å; G164-T168 PolarHBondContact O-OG1 3.25Å
165	S	97	Very high	96.8	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.052	C	C	.	.	I	π-helix	trans	-97	-67	179	68.6	0	0	0	0	110.1	S158 F159 G161 G162 T163 S169 T208	S158-S165 PolarHBondContact O-N 3.45Å; F159-S165 WeakPolarHBondContact O-CB 3.44Å; G161-S165 WeakPolarHBondContact O-CB 3.47Å; G161-S165 PolarHBondContact O-N 3.41Å; G161-S165 PolarHBondContact O-OG 3.17Å; G162-S165 PolarHBondContact O-OG 3.29Å; T163-S165 PolarHBondContact O-N 2.94Å; S165-S169 WeakPolarHBondContact O-CB 3.46Å; S165-S169 PolarHBondContact O-N 3.46Å; S165-S169 PolarHBondContact O-OG 3.04Å; S165-T208 WeakPolarHBondContact CA-OG1 3.48Å; S165-T208 WeakPolarHBondContact CB-OG1 3.27Å; S165-T208 PolarHBondContact O-OG1 2.82Å; S165-T208 VanDerWaalsContact O-OG1 3.13Å
166	G	97.4	Very high	96.7	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.06	C	C	.	.	I	π-helix	trans	-66.6	-52.9	-174.1	0	0	0	0	0	113.6	Y121 G124 H125 G162 T168 S169 L170	Y121-G166 WeakPolarHBondContact O-CA 3.41Å; G124-G166 CarbonylContact O-C 3.59Å; H125-G166 PolarHBondContact CD2-O 2.8Å; G162-G166 PolarHBondContact O-N 3.35Å; G166-T168 PolarHBondContact O-N 2.78Å; G166-S169 PolarHBondContact O-N 2.94Å; G166-L170 PolarHBondContact O-N 3.23Å; G166-L170 VanDerWaalsContact O-N 3.07Å
167	F	98.2	Very high	96.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.094	C	C	.	.	I	π-helix	trans	-68.5	-37.5	-177.9	-180	-103.7	0	0	0	111.6	V25 V86 L88 G124 G129 M132 I133 V136 T163 S169 L170 L171	V25-F167 HydrophobicContact CG1-CD1 3.71Å; V25-F167 HydrophobicContact CG1-CE1 4.39Å; V86-F167 HydrophobicContact CB-CE1 4.28Å; V86-F167 HydrophobicContact CG1-CD1 4.24Å; V86-F167 HydrophobicContact CG1-CE1 3.52Å; V86-F167 HydrophobicContact CG1-CZ 4.1Å; L88-F167 HydrophobicContact CD1-CB 4.25Å; L88-F167 HydrophobicContact CD2-CD2 4.24Å; L88-F167 HydrophobicContact CD2-CG 4.34Å; G124-F167 WeakPolarHBondContact O-CA 3.29Å; G124-F167 VanDerWaalsContact O-CB 3.31Å; G124-F167 WeakPolarHBondContact O-CB 3.42Å; G124-F167 PolarHBondContact O-N 2.81Å; G124-F167 VanDerWaalsContact O-N 3.11Å; G129-F167 WeakPolarHBondContact O-CE2 3.49Å; M132-F167 HydrophobicContact CB-CE2 4.15Å; I133-F167 HydrophobicContact CB-CE2 4.36Å; I133-F167 HydrophobicContact CD1-CE2 4.11Å; I133-F167 HydrophobicContact CD1-CZ 4.25Å; V136-F167 HydrophobicContact CB-CZ 4.15Å; V136-F167 HydrophobicContact CG1-CZ 4.1Å; V136-F167 HydrophobicContact CG2-CE1 4.43Å; V136-F167 HydrophobicContact CG2-CZ 3.83Å; T163-F167 HydrophobicContact CG2-CB 4.07Å; T163-F167 HydrophobicContact CG2-CD1 4.35Å; T163-F167 VanDerWaalsContact O-CB 3.27Å; T163-F167 WeakPolarHBondContact O-CB 3.3Å; T163-F167 PolarHBondContact O-N 3.18Å; T163-F167 VanDerWaalsContact O-N 3.14Å; F167-S169 VanDerWaalsContact C-N 3.31Å; F167-S169 PolarHBondContact O-N 3.42Å; F167-L170 HydrophobicContact CD2-CD2 4.43Å; F167-L170 PolarHBondContact O-N 3.03Å; F167-L171 VanDerWaalsContact O-CB 3.31Å; F167-L171 WeakPolarHBondContact O-CB 3.21Å; F167-L171 PolarHBondContact O-N 3.3Å
168	T	98.2	Very high	96.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.8	-39.1	172.9	-60.1	0	0	0	0	112.1	V25 V155 H157 T163 G164 G166 L171 L172	V25-T168 WeakPolarHBondContact CB-OG1 3.37Å; V25-T168 WeakPolarHBondContact CG1-OG1 3.47Å; V155-T168 HydrophobicContact CG1-CG2 3.81Å; H157-T168 HydrophobicContact CB-CG2 4.15Å; T163-T168 PolarHBondContact O-N 2.93Å; G164-T168 WeakPolarHBondContact O-CB 3.46Å; G164-T168 PolarHBondContact O-OG1 3.25Å; G166-T168 PolarHBondContact O-N 2.78Å; T168-L171 WeakPolarHBondContact O-CB 3.1Å; T168-L171 PolarHBondContact O-N 3.35Å; T168-L172 HydrophobicContact CG2-CD1 4.02Å; T168-L172 HydrophobicContact CG2-CG 4.24Å; T168-L172 VanDerWaalsContact O-CG 3.27Å; T168-L172 WeakPolarHBondContact O-CG 3.32Å; T168-L172 PolarHBondContact O-N 3.19Å
169	S	97.8	Very high	96.4	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.007	12%	0.121	C	C	.	.	H	α-helix	trans	-63.8	-47.6	178.4	-57.4	0	0	0	0	111.1	Y121 S165 G166 F167 L171 L172 E173 T208	Y121-S169 WeakPolarHBondContact CE2-OG 3.45Å; Y121-S169 WeakPolarHBondContact OH-CB 2.99Å; S165-S169 WeakPolarHBondContact O-CB 3.46Å; S165-S169 PolarHBondContact O-N 3.46Å; S165-S169 PolarHBondContact O-OG 3.04Å; G166-S169 PolarHBondContact O-N 2.94Å; F167-S169 VanDerWaalsContact C-N 3.31Å; F167-S169 PolarHBondContact O-N 3.42Å; S169-L171 VanDerWaalsContact C-N 3.29Å; S169-L171 PolarHBondContact O-N 2.85Å; S169-L172 PolarHBondContact O-N 3.49Å; S169-E173 WeakPolarHBondContact O-CG 3.23Å; S169-E173 PolarHBondContact O-N 2.82Å; S169-E173 VanDerWaalsContact O-N 3.14Å; S169-T208 PolarHBondContact OG-OG1 2.95Å
170	L	97.8	Very high	96	Very high	12 Å²	12	22.9 Å²	22.9	6%	0.063	14%	0.144	C	C	.	.	H	α-helix	trans	-57.2	-42.4	172.8	-177.6	69.9	0	0	0	112.1	I133 G166 F167 E173 H174	I133-L170 HydrophobicContact CB-CD2 3.93Å; I133-L170 HydrophobicContact CD1-CD2 4.33Å; I133-L170 HydrophobicContact CD1-CG 4.26Å; I133-L170 HydrophobicContact CG1-CD2 4.13Å; I133-L170 HydrophobicContact CG1-CG 4.25Å; I133-L170 HydrophobicContact CG2-CD2 4.41Å; G166-L170 PolarHBondContact O-N 3.23Å; G166-L170 VanDerWaalsContact O-N 3.07Å; F167-L170 HydrophobicContact CD2-CD2 4.43Å; F167-L170 PolarHBondContact O-N 3.03Å; L170-E173 WeakPolarHBondContact O-CB 3.5Å; L170-E173 PolarHBondContact O-N 2.97Å; L170-H174 PolarHBondContact O-N 3.2Å; L170-H174 PolarHBondContact O-ND1 3.08Å
171	L	98	Very high	95.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.6	-44.2	178.3	174.1	61.7	0	0	0	112	V23 V25 I133 V136 M137 F140 F167 T168 S169 E173 H174 L175	V23-L171 HydrophobicContact CG1-CD2 3.98Å; V25-L171 HydrophobicContact CG2-CD2 4.2Å; I133-L171 HydrophobicContact CD1-CB 4.34Å; I133-L171 HydrophobicContact CD1-CD1 4.16Å; V136-L171 HydrophobicContact CG1-CD1 4.05Å; M137-L171 HydrophobicContact SD-CD1 3.86Å; F140-L171 HydrophobicContact CD2-CD1 4.11Å; F140-L171 HydrophobicContact CE2-CD1 3.47Å; F140-L171 VanDerWaalsContact CE2-CD1 3.47Å; F140-L171 HydrophobicContact CE2-CD2 4.05Å; F140-L171 HydrophobicContact CE2-CG 4.35Å; F140-L171 HydrophobicContact CZ-CD1 4.14Å; F140-L171 HydrophobicContact CZ-CD2 4.15Å; F167-L171 VanDerWaalsContact O-CB 3.31Å; F167-L171 WeakPolarHBondContact O-CB 3.21Å; F167-L171 PolarHBondContact O-N 3.3Å; T168-L171 WeakPolarHBondContact O-CB 3.1Å; T168-L171 PolarHBondContact O-N 3.35Å; S169-L171 VanDerWaalsContact C-N 3.29Å; S169-L171 PolarHBondContact O-N 2.85Å; L171-E173 VanDerWaalsContact C-N 3.3Å; L171-E173 PolarHBondContact O-N 2.97Å; L171-H174 PolarHBondContact O-N 2.87Å; L171-L175 HydrophobicContact CD1-CD1 4.12Å; L171-L175 HydrophobicContact CD1-CD2 4.43Å; L171-L175 HydrophobicContact CD1-CG 3.95Å; L171-L175 HydrophobicContact CG-CD1 3.96Å; L171-L175 HydrophobicContact CG-CG 4.23Å; L171-L175 WeakPolarHBondContact O-CG 3.43Å; L171-L175 PolarHBondContact O-N 3.01Å
172	L	97.8	Very high	95.9	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-64.1	-35.7	179.9	-72.1	170.2	0	0	0	112.3	V155 T168 S169 S176 H215	V155-L172 HydrophobicContact CG2-CD2 4.24Å; T168-L172 HydrophobicContact CG2-CD1 4.02Å; T168-L172 HydrophobicContact CG2-CG 4.24Å; T168-L172 VanDerWaalsContact O-CG 3.27Å; T168-L172 WeakPolarHBondContact O-CG 3.32Å; T168-L172 PolarHBondContact O-N 3.19Å; S169-L172 PolarHBondContact O-N 3.49Å; L172-S176 VanDerWaalsContact O-CB 3.31Å; L172-S176 WeakPolarHBondContact O-CB 3.38Å; L172-S176 PolarHBondContact O-N 3.18Å; L172-S176 PolarHBondContact O-OG 2.79Å; L172-H215 HydrophobicContact CB-CB 3.85Å
173	E	96.9	Very high	95.9	Very high	58 Å²	58	37.6 Å²	37.6	27%	0.271	20%	0.198	S	C	.	.	H	α-helix	trans	-59	-49.3	172	-69.4	164.9	-147	0	0	110.9	H125 S169 L170 L171 S176 A177	H125-E173 IonicContact CD2-OE1 2.75Å; H125-E173 IonicContact CE1-OE1 3.66Å; H125-E173 IonicContact CE1-OE2 3.97Å; H125-E173 IonicContact NE2-OE1 2.81Å; H125-E173 PolarHBondContact NE2-OE1 3.33Å; H125-E173 IonicContact NE2-OE2 3.94Å; S169-E173 WeakPolarHBondContact O-CG 3.23Å; S169-E173 PolarHBondContact O-N 2.82Å; S169-E173 VanDerWaalsContact O-N 3.14Å; L170-E173 WeakPolarHBondContact O-CB 3.5Å; L170-E173 PolarHBondContact O-N 2.97Å; L171-E173 VanDerWaalsContact C-N 3.3Å; L171-E173 PolarHBondContact O-N 2.97Å; E173-S176 PolarHBondContact O-N 3.41Å; E173-A177 PolarHBondContact O-N 3.12Å
174	H	97.4	Very high	95.8	Very high	63 Å²	63	37.4 Å²	37.4	29%	0.292	20%	0.196	S	C	.	.	H	α-helix	trans	-66.8	-42	179.6	-72.8	71.9	0	0	0	112.3	I133 M137 L170 L171 S176 A177 E178	I133-H174 HydrophobicContact CD1-CB 4.42Å; M137-H174 HydrophobicContact CE-CB 4.02Å; M137-H174 HydrophobicContact CG-CB 4.22Å; M137-H174 HydrophobicContact SD-CB 3.76Å; L170-H174 PolarHBondContact O-N 3.2Å; L170-H174 PolarHBondContact O-ND1 3.08Å; L171-H174 PolarHBondContact O-N 2.87Å; H174-S176 VanDerWaalsContact C-N 3.27Å; H174-S176 PolarHBondContact O-N 3.29Å; H174-A177 PolarHBondContact O-N 3.06Å; H174-E178 PolarHBondContact O-N 2.86Å
175	L	97	Very high	95.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.6	-35.5	174.6	-70.1	178.2	0	0	0	111.7	M137 F140 F153 L171 Y179 K184	M137-L175 HydrophobicContact CE-CD2 4.28Å; M137-L175 HydrophobicContact SD-CD2 4.34Å; F140-L175 HydrophobicContact CD1-CD2 4.15Å; F140-L175 HydrophobicContact CD2-CD2 4.4Å; F140-L175 HydrophobicContact CE1-CD2 4.19Å; F140-L175 HydrophobicContact CE2-CD2 4.48Å; F140-L175 HydrophobicContact CG-CD2 4.25Å; F140-L175 HydrophobicContact CZ-CD1 4.4Å; F140-L175 HydrophobicContact CZ-CD2 4.35Å; F153-L175 HydrophobicContact CD1-CD2 4.37Å; F153-L175 HydrophobicContact CD2-CD1 4.34Å; F153-L175 HydrophobicContact CD2-CD2 4.48Å; F153-L175 HydrophobicContact CE1-CD2 4.01Å; F153-L175 HydrophobicContact CE2-CD2 4.12Å; F153-L175 HydrophobicContact CG-CD1 4.21Å; F153-L175 HydrophobicContact CZ-CD2 3.88Å; L171-L175 HydrophobicContact CD1-CD1 4.12Å; L171-L175 HydrophobicContact CD1-CD2 4.43Å; L171-L175 HydrophobicContact CD1-CG 3.95Å; L171-L175 HydrophobicContact CG-CD1 3.96Å; L171-L175 HydrophobicContact CG-CG 4.23Å; L171-L175 WeakPolarHBondContact O-CG 3.43Å; L171-L175 PolarHBondContact O-N 3.01Å; L175-Y179 HydrophobicContact CD2-CD2 3.96Å; L175-Y179 HydrophobicContact CD2-CE2 4.31Å; L175-Y179 CarbonylContact O-C 3.25Å; L175-Y179 VanDerWaalsContact O-C 3.31Å; L175-Y179 VanDerWaalsContact O-CA 3.24Å; L175-Y179 WeakPolarHBondContact O-CA 3.2Å; L175-Y179 VanDerWaalsContact O-CB 3.3Å; L175-Y179 WeakPolarHBondContact O-CB 3.3Å; L175-Y179 PolarHBondContact O-N 3.07Å; L175-K184 HydrophobicContact CB-CD 4.26Å
176	S	95.7	Very high	95.7	Very high	24 Å²	24	37.4 Å²	37.4	17%	0.168	20%	0.195	C	C	.	.	H	α-helix	trans	-70.4	-36.9	175.6	-61.8	0	0	0	0	112.2	L172 E173 H174 G180 K184 H215	L172-S176 VanDerWaalsContact O-CB 3.31Å; L172-S176 WeakPolarHBondContact O-CB 3.38Å; L172-S176 PolarHBondContact O-N 3.18Å; L172-S176 PolarHBondContact O-OG 2.79Å; E173-S176 PolarHBondContact O-N 3.41Å; H174-S176 VanDerWaalsContact C-N 3.27Å; H174-S176 PolarHBondContact O-N 3.29Å; S176-G180 WeakPolarHBondContact O-CA 3.43Å; S176-G180 PolarHBondContact O-N 3.33Å; S176-K184 WeakPolarHBondContact OG-CE 3.44Å; S176-H215 WeakPolarHBondContact CB-ND1 3.48Å; S176-H215 WeakPolarHBondContact OG-CB 3.37Å; S176-H215 PolarHBondContact OG-ND1 3.09Å
177	A	96.3	Very high	95.7	Very high	88 Å²	88	37.9 Å²	37.9	73%	0.727	20%	0.197	S	C	*	.	H	α-helix	trans	-68.3	-45.8	177.3	0	0	0	0	0	112.5	E173 H174	E173-A177 PolarHBondContact O-N 3.12Å; H174-A177 PolarHBondContact O-N 3.06Å
178	E	96.1	Very high	95.6	Very high	112 Å²	112	38 Å²	38	52%	0.523	20%	0.198	S	C	.	.	H	α-helix	trans	-88.6	-34.4	-175.5	-67.7	-174.9	-160.7	0	0	113.5	M137 H174	M137-E178 HydrophobicContact CE-CB 4.41Å; M137-E178 HydrophobicContact CE-CG 4.23Å; M137-E178 WeakPolarHBondContact CE-OE2 3.48Å; H174-E178 PolarHBondContact O-N 2.86Å
179	Y	95	Very high	95.5	Very high	37 Å²	37	38.3 Å²	38.3	15%	0.145	20%	0.199	C	C	.	.	S	Bend	trans	-123.2	37.1	-173.2	-55.9	-88.1	0	0	0	112.1	M137 A144 L150 F153 L175 R181 K182	M137-Y179 HydrophobicContact CE-CE2 4.1Å; A144-Y179 HydrophobicContact CB-CE1 3.93Å; L150-Y179 HydrophobicContact CD2-CD1 4.45Å; F153-Y179 HydrophobicContact CE2-CD2 4.29Å; F153-Y179 AromaticContact CE2-CG 3.93Å; F153-Y179 HydrophobicContact CE2-CG 3.93Å; F153-Y179 AromaticContact CZ-CD1 3.99Å; F153-Y179 HydrophobicContact CZ-CD1 3.99Å; F153-Y179 AromaticContact CZ-CD2 3.85Å; F153-Y179 HydrophobicContact CZ-CD2 3.85Å; F153-Y179 HydrophobicContact CZ-CE1 4.5Å; F153-Y179 HydrophobicContact CZ-CE2 4.4Å; F153-Y179 AromaticContact CZ-CG 3.64Å; F153-Y179 HydrophobicContact CZ-CG 3.64Å; L175-Y179 HydrophobicContact CD2-CD2 3.96Å; L175-Y179 HydrophobicContact CD2-CE2 4.31Å; L175-Y179 CarbonylContact O-C 3.25Å; L175-Y179 VanDerWaalsContact O-C 3.31Å; L175-Y179 VanDerWaalsContact O-CA 3.24Å; L175-Y179 WeakPolarHBondContact O-CA 3.2Å; L175-Y179 VanDerWaalsContact O-CB 3.3Å; L175-Y179 WeakPolarHBondContact O-CB 3.3Å; L175-Y179 PolarHBondContact O-N 3.07Å; Y179-R181 PolarHBondContact O-N 3.16Å; Y179-K182 HydrophobicContact CD1-CG 4.48Å; Y179-K182 WeakPolarHBondContact O-CB 3.41Å; Y179-K182 PolarHBondContact O-N 3.31Å
180	G	88.1	Confident	95.3	Very high	50 Å²	50	38.5 Å²	38.5	52%	0.515	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-29.8	-170.1	0	0	0	0	0	116.6	S176	S176-G180 WeakPolarHBondContact O-CA 3.43Å; S176-G180 PolarHBondContact O-N 3.33Å
181	R	89.1	Confident	95	Very high	249 Å²	249	38.4 Å²	38.4	94%	0.94	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-6.8	177.7	-63.2	-175.3	-177.4	-177.3	0.8	114.9	Y179	Y179-R181 PolarHBondContact O-N 3.16Å
182	K	92.7	Very high	94.5	Very high	69 Å²	69	38.5 Å²	38.5	30%	0.3	20%	0.201	S	C	.	.	S	Bend	trans	-90.3	138.9	-177.1	-57.5	-56.7	-176.1	-176.7	0	109.8	L150 F153 Y179 K184	L150-K182 HydrophobicContact CG-CD 4.47Å; L150-K182 VanDerWaalsContact O-CD 3.31Å; L150-K182 WeakPolarHBondContact O-CD 3.29Å; L150-K182 VanDerWaalsContact O-CE 3.25Å; L150-K182 WeakPolarHBondContact O-CE 3.19Å; L150-K182 PolarHBondContact O-NZ 3.1Å; F153-K182 HydrophobicContact CD2-CB 4.34Å; F153-K182 HydrophobicContact CE2-CB 3.85Å; F153-K182 HydrophobicContact CE2-CG 4.42Å; Y179-K182 HydrophobicContact CD1-CG 4.48Å; Y179-K182 WeakPolarHBondContact O-CB 3.41Å; Y179-K182 PolarHBondContact O-N 3.31Å; K182-K184 PolarHBondContact O-NZ 2.85Å
183	A	93.2	Very high	93.7	Very high	9 Å²	9	39.8 Å²	39.8	7%	0.074	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	140.9	-179.5	0	0	0	0	0	111	Q151 G152 F153 D217	Q151-A183 PolarHBondContact O-N 3.02Å; Q151-A183 VanDerWaalsContact O-N 3.08Å; G152-A183 CarbonylContact C-O 3.54Å; G152-A183 WeakPolarHBondContact CA-O 3.18Å; F153-A183 PolarHBondContact N-O 3.45Å; A183-D217 WeakPolarHBondContact CA-OD2 3.31Å
184	K	95.1	Very high	93	Very high	7 Å²	7	45 Å²	45	3%	0.03	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	95.2	177.3	-72	164.2	-69.7	-68.8	0	108.2	F153 L175 S176 K182 H215 D217 C218	F153-K184 HydrophobicContact CD2-CG 4.11Å; L175-K184 HydrophobicContact CB-CD 4.26Å; S176-K184 WeakPolarHBondContact OG-CE 3.44Å; K182-K184 PolarHBondContact O-NZ 2.85Å; K184-H215 VanDerWaalsContact CD-O 3.29Å; K184-H215 WeakPolarHBondContact CD-O 3.43Å; K184-H215 VanDerWaalsContact CE-O 3.26Å; K184-H215 WeakPolarHBondContact CE-O 3.17Å; K184-D217 PolarHBondContact N-OD2 3.45Å; K184-D217 IonicContact NZ-OD2 2.82Å; K184-D217 PolarHBondContact O-N 3.3Å; K184-C218 PolarHBondContact O-N 3.18Å
185	L	95.2	Very high	92.1	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	135.5	178.3	-57.3	-177.3	0	0	0	109.5	F153 V154 V155 C218 F220 L270 F273	F153-L185 PolarHBondContact O-N 3.06Å; V154-L185 CarbonylContact C-O 3.54Å; V154-L185 WeakPolarHBondContact CA-O 3.48Å; V154-L185 HydrophobicContact CG2-CB 4.48Å; V155-L185 PolarHBondContact N-O 3.11Å; L185-C218 CarbonylContact C-O 3.58Å; L185-C218 WeakPolarHBondContact CA-O 3.34Å; L185-C218 HydrophobicContact CD2-CB 3.66Å; L185-F220 HydrophobicContact CB-CE2 4.23Å; L185-F220 HydrophobicContact CD1-CE2 4.39Å; L185-L270 HydrophobicContact CD1-CB 4.04Å; L185-L270 HydrophobicContact CD1-CD1 4.03Å; L185-L270 HydrophobicContact CD1-CD2 3.51Å; L185-L270 HydrophobicContact CD1-CG 4.04Å; L185-F273 HydrophobicContact CD1-CD2 4.28Å
186	Q	96.9	Very high	91.3	Very high	3 Å²	3	47.8 Å²	47.8	1%	0.014	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137.1	-179.1	-52.1	-171	64.9	0	0	111.1	V155 H157 S188 S216 C218 A219 F220	V155-Q186 HydrophobicContact CB-CG 4.37Å; V155-Q186 CarbonylContact O-C 3.51Å; V155-Q186 VanDerWaalsContact O-CA 3.28Å; V155-Q186 WeakPolarHBondContact O-CA 3.42Å; H157-Q186 PolarHBondContact CE1-OE1 2.87Å; H157-Q186 PolarHBondContact NE2-OE1 3.11Å; Q186-S188 WeakPolarHBondContact CB-OG 3.36Å; Q186-S216 PolarHBondContact NE2-OG 3.12Å; Q186-C218 PolarHBondContact N-O 3.08Å; Q186-A219 HydrophobicContact CB-CB 4.01Å; Q186-A219 CarbonylContact O-C 3.55Å; Q186-F220 VanDerWaalsContact O-CD2 3.31Å; Q186-F220 WeakPolarHBondContact O-CD2 3.28Å; Q186-F220 PolarHBondContact O-N 3.28Å
187	F	97.4	Very high	90.5	Very high	11 Å²	11	50.5 Å²	50.5	5%	0.048	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	106.7	166.1	-74.8	-80.6	0	0	0	107.8	V154 V155 F156 H157 F220 V253 I256	V154-F187 HydrophobicContact CG1-CD2 3.38Å; V154-F187 HydrophobicContact CG1-CE2 3.4Å; V154-F187 VanDerWaalsContact CG1-CE2 3.4Å; V155-F187 PolarHBondContact O-N 3.14Å; F156-F187 WeakPolarHBondContact CA-O 3.18Å; F156-F187 HydrophobicContact CD1-CB 3.56Å; F156-F187 HydrophobicContact CD1-CD2 4.21Å; F156-F187 HydrophobicContact CD1-CG 4.14Å; F156-F187 HydrophobicContact CE1-CB 3.77Å; F156-F187 AromaticContact CE1-CD2 3.62Å; F156-F187 HydrophobicContact CE1-CD2 3.62Å; F156-F187 HydrophobicContact CE1-CE2 4.41Å; F156-F187 AromaticContact CE1-CG 3.81Å; F156-F187 HydrophobicContact CE1-CG 3.81Å; F156-F187 HydrophobicContact CG-CB 4.3Å; F156-F187 AromaticContact CZ-CD2 3.8Å; F156-F187 HydrophobicContact CZ-CD2 3.8Å; F156-F187 HydrophobicContact CZ-CE2 4.34Å; F156-F187 HydrophobicContact CZ-CG 4.45Å; H157-F187 PolarHBondContact N-O 3.03Å; F187-F220 HydrophobicContact CD1-CB 3.91Å; F187-F220 AromaticContact CD1-CD2 3.86Å; F187-F220 HydrophobicContact CD1-CD2 3.86Å; F187-F220 HydrophobicContact CD1-CG 4.26Å; F187-F220 HydrophobicContact CD2-CD2 4.32Å; F187-F220 HydrophobicContact CE1-CB 4.06Å; F187-F220 AromaticContact CE1-CD2 3.49Å; F187-F220 HydrophobicContact CE1-CD2 3.49Å; F187-F220 VanDerWaalsContact CE1-CD2 3.49Å; F187-F220 HydrophobicContact CE1-CE2 4.23Å; F187-F220 AromaticContact CE1-CG 3.98Å; F187-F220 HydrophobicContact CE1-CG 3.98Å; F187-F220 AromaticContact CE2-CD2 3.99Å; F187-F220 HydrophobicContact CE2-CD2 3.99Å; F187-F220 HydrophobicContact CE2-CE2 4.24Å; F187-F220 HydrophobicContact CG-CD2 4.27Å; F187-F220 AromaticContact CZ-CD2 3.57Å; F187-F220 HydrophobicContact CZ-CD2 3.57Å; F187-F220 AromaticContact CZ-CE2 3.88Å; F187-F220 HydrophobicContact CZ-CE2 3.88Å; F187-F220 HydrophobicContact CZ-CG 4.45Å; F187-V253 HydrophobicContact CD1-CG2 3.6Å; F187-V253 HydrophobicContact CD2-CG2 4.31Å; F187-V253 HydrophobicContact CE1-CB 4.35Å; F187-V253 HydrophobicContact CE1-CG2 3.65Å; F187-V253 HydrophobicContact CE2-CG1 4.25Å; F187-V253 HydrophobicContact CE2-CG2 4.36Å; F187-V253 HydrophobicContact CG-CG2 3.93Å; F187-V253 HydrophobicContact CZ-CB 4.36Å; F187-V253 HydrophobicContact CZ-CG1 4.27Å; F187-V253 HydrophobicContact CZ-CG2 4.03Å; F187-I256 HydrophobicContact CE1-CD1 3.59Å; F187-I256 HydrophobicContact CZ-CB 4.05Å; F187-I256 HydrophobicContact CZ-CD1 3.92Å; F187-I256 HydrophobicContact CZ-CG2 3.83Å
188	S	95.9	Very high	90	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.014	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125.6	-160.5	-51.4	0	0	0	0	111.6	H157 Q186 F220 S222	H157-S188 PolarHBondContact CD2-OG 2.69Å; H157-S188 VanDerWaalsContact CD2-OG 3.26Å; H157-S188 PolarHBondContact NE2-OG 2.9Å; H157-S188 WeakPolarHBondContact O-CA 3.48Å; Q186-S188 WeakPolarHBondContact CB-OG 3.36Å; S188-F220 PolarHBondContact N-O 3.34Å; S188-S222 PolarHBondContact O-N 2.96Å
189	I	95.7	Very high	89.7	Confident	7 Å²	7	46 Å²	46	4%	0.036	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	116.5	169.5	-56	-57.7	0	0	0	109.4	I32 H157 S158 F159 S222 V249	I32-I189 HydrophobicContact CD1-CD1 3.87Å; I32-I189 HydrophobicContact CD1-CG1 3.61Å; H157-I189 PolarHBondContact O-N 2.95Å; S158-I189 WeakPolarHBondContact CA-O 3.03Å; S158-I189 PolarHBondContact OG-O 3.44Å; F159-I189 PolarHBondContact N-O 3.28Å; I189-S222 CarbonylContact C-O 3.47Å; I189-S222 WeakPolarHBondContact CA-O 3.37Å; I189-V249 HydrophobicContact CD1-CG2 4.47Å
190	Y	94.5	Very high	89.7	Confident	5 Å²	5	44.5 Å²	44.5	2%	0.02	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	151.9	-174	-163.2	-97.6	0	0	0	112	F159 A192 I221 S222 D223 A405 W406 L409	F159-Y190 HydrophobicContact CB-CD2 4.16Å; F159-Y190 AromaticContact CD1-CD2 3.65Å; F159-Y190 HydrophobicContact CD1-CD2 3.65Å; F159-Y190 AromaticContact CD1-CE2 3.55Å; F159-Y190 HydrophobicContact CD1-CE2 3.55Å; F159-Y190 HydrophobicContact CD2-CD2 4.43Å; F159-Y190 HydrophobicContact CE1-CD2 4.11Å; F159-Y190 AromaticContact CE1-CE2 3.97Å; F159-Y190 HydrophobicContact CE1-CE2 3.97Å; F159-Y190 AromaticContact CG-CD2 3.83Å; F159-Y190 HydrophobicContact CG-CD2 3.83Å; F159-Y190 HydrophobicContact CG-CE2 4.18Å; Y190-A192 PolarHBondContact O-N 2.9Å; Y190-I221 VanDerWaalsContact CB-CG2 3.46Å; Y190-I221 HydrophobicContact CD1-CG2 4.43Å; Y190-I221 HydrophobicContact CD2-CD1 4.44Å; Y190-I221 HydrophobicContact CD2-CG2 4.37Å; Y190-I221 HydrophobicContact CG-CG2 3.84Å; Y190-S222 PolarHBondContact N-O 3.5Å; Y190-D223 WeakPolarHBondContact O-CB 3.39Å; Y190-A405 HydrophobicContact CE1-CB 4.12Å; Y190-W406 HydrophobicContact CD2-CZ3 4.27Å; Y190-W406 HydrophobicContact CE1-CE3 4.32Å; Y190-W406 HydrophobicContact CE1-CZ3 4.11Å; Y190-W406 HydrophobicContact CE2-CE3 4.15Å; Y190-W406 AromaticContact CE2-CH2 3.93Å; Y190-W406 HydrophobicContact CE2-CH2 3.93Å; Y190-W406 AromaticContact CE2-CZ3 3.27Å; Y190-W406 HydrophobicContact CE2-CZ3 3.27Å; Y190-W406 AromaticContact CZ-CE3 3.58Å; Y190-W406 AromaticContact CZ-CZ3 3.17Å; Y190-W406 WeakPolarHBondContact OH-CZ3 3.38Å; Y190-L409 WeakPolarHBondContact OH-CD2 3.33Å
191	P	91.5	Very high	90.1	Very high	9 Å²	9	42.6 Å²	42.6	6%	0.058	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-53.9	126	179.4	-31.3	37.3	0	0	0	113.9	E201 A205 L409	P191-E201 HydrophobicContact CB-CG 4.08Å; P191-E201 WeakPolarHBondContact CB-OE2 3.21Å; P191-E201 HydrophobicContact CG-CG 3.84Å; P191-A205 HydrophobicContact CG-CB 3.4Å; P191-L409 HydrophobicContact CG-CD1 4.35Å
192	A	87.8	Confident	90.4	Very high	3 Å²	3	31 Å²	31	3%	0.025	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-82.8	158.9	175	0	0	0	0	0	111.8	Y190 V195 D223 E225 K412	Y190-A192 PolarHBondContact O-N 2.9Å; A192-V195 HydrophobicContact CB-CB 4.1Å; A192-D223 HydrophobicContact CB-CB 4.29Å; A192-E225 HydrophobicContact CB-CB 3.66Å; A192-K412 PolarHBondContact O-NZ 3.43Å
193	P	79.9	Confident	90.6	Very high	27 Å²	27	27.7 Å²	27.7	18%	0.175	16%	0.162	C	C	.	.	S	Bend	trans	-56.2	-51.8	175.3	-21.5	26.5	0	0	0	113.9	E225 K322 K412	P193-E225 VanDerWaalsContact CD-OE2 3.23Å; P193-E225 WeakPolarHBondContact CD-OE2 3.42Å; P193-K322 HydrophobicContact CG-CB 3.75Å; P193-K322 HydrophobicContact CG-CG 3.94Å; P193-K412 PolarHBondContact O-NZ 3.46Å
194	M	82.2	Confident	90.8	Very high	167 Å²	167	27.3 Å²	27.3	82%	0.823	16%	0.159	S	C	*	.	S	Bend	trans	-112.5	-17	-170.4	-62.3	-61.1	-178.9	0	0	114.1	E225	M194-E225 WeakPolarHBondContact CB-OE2 3.45Å; M194-E225 PolarHBondContact N-OE2 2.66Å
195	V	78.7	Confident	90.9	Very high	62 Å²	62	27 Å²	27	38%	0.376	16%	0.157	S	C	.	.			trans	-104.8	105.4	179.6	-175.3	0	0	0	0	108.9	A192 E225	A192-V195 HydrophobicContact CB-CB 4.1Å; V195-E225 HydrophobicContact CG2-CB 4.3Å; V195-E225 HydrophobicContact CG2-CG 4.37Å
196	S	80.8	Confident	91	Very high	61 Å²	61	26.9 Å²	26.9	43%	0.427	16%	0.157	S	C	.	.			trans	-119.6	128.1	177.3	-168.5	0	0	0	0	108.1	A198 E201	S196-A198 PolarHBondContact OG-O 2.68Å; S196-E201 PolarHBondContact OG-OE2 3.24Å
197	T	78	Confident	91	Very high	81 Å²	81	26.8 Å²	26.8	50%	0.497	16%	0.156	S	C	.	.	S	Bend	trans	-86.7	-23.4	179.7	58.4	0	0	0	0	112.5	E201	T197-E201 PolarHBondContact N-OE1 2.82Å
198	A	86.4	Confident	91	Very high	11 Å²	11	26.3 Å²	26.3	9%	0.091	16%	0.155	C	C	.	.	S	Bend	trans	-137.4	148.6	178.9	0	0	0	0	0	111.5	N119 S196 V200 E201	N119-A198 HydrophobicContact CB-CB 3.78Å; S196-A198 PolarHBondContact OG-O 2.68Å; A198-V200 HydrophobicContact CB-CG2 4.49Å; A198-V200 PolarHBondContact O-N 3.14Å; A198-E201 HydrophobicContact CB-CB 4.46Å; A198-E201 WeakPolarHBondContact O-CB 3.42Å; A198-E201 PolarHBondContact O-N 3.28Å
199	V	90	Very high	91	Very high	95 Å²	95	26.3 Å²	26.3	58%	0.576	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-26.4	177.4	-61.8	0	0	0	0	112.8	M416 F422	V199-M416 VanDerWaalsContact O-CE 3.23Å; V199-M416 WeakPolarHBondContact O-CE 3.34Å; V199-F422 HydrophobicContact CB-CE2 4.41Å; V199-F422 HydrophobicContact CB-CZ 4.45Å; V199-F422 HydrophobicContact CG2-CE1 4.23Å; V199-F422 HydrophobicContact CG2-CE2 4.01Å; V199-F422 HydrophobicContact CG2-CZ 3.79Å
200	V	94.8	Very high	91.1	Very high	5 Å²	5	28 Å²	28	3%	0.03	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	5.7	179.3	-59.6	0	0	0	0	113.6	N119 A198 P202 Y203 N204 F422 W425 Y426	N119-V200 HydrophobicContact CB-CG2 4.42Å; N119-V200 WeakPolarHBondContact O-CG2 2.97Å; A198-V200 HydrophobicContact CB-CG2 4.49Å; A198-V200 PolarHBondContact O-N 3.14Å; V200-P202 VanDerWaalsContact O-N 3.13Å; V200-Y203 PolarHBondContact O-N 2.91Å; V200-N204 PolarHBondContact O-N 3.41Å; V200-F422 HydrophobicContact CG1-CB 3.77Å; V200-F422 HydrophobicContact CG1-CD1 4.31Å; V200-F422 HydrophobicContact CG1-CD2 3.97Å; V200-F422 HydrophobicContact CG1-CG 3.76Å; V200-W425 HydrophobicContact CG1-CE3 4.34Å; V200-W425 HydrophobicContact CG1-CZ3 4.47Å; V200-Y426 HydrophobicContact CB-CE2 4.31Å; V200-Y426 VanDerWaalsContact CB-OH 3.3Å; V200-Y426 WeakPolarHBondContact CB-OH 3.36Å; V200-Y426 HydrophobicContact CG1-CE2 4.33Å; V200-Y426 WeakPolarHBondContact CG2-OH 3.47Å
201	E	95.4	Very high	91.1	Very high	9 Å²	9	28.4 Å²	28.4	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-47.7	-39.9	177.2	175.5	-178.5	-81.4	0	0	113.1	P191 S196 T197 A198 Y203 N204 A205	P191-E201 HydrophobicContact CB-CG 4.08Å; P191-E201 WeakPolarHBondContact CB-OE2 3.21Å; P191-E201 HydrophobicContact CG-CG 3.84Å; S196-E201 PolarHBondContact OG-OE2 3.24Å; T197-E201 PolarHBondContact N-OE1 2.82Å; A198-E201 HydrophobicContact CB-CB 4.46Å; A198-E201 WeakPolarHBondContact O-CB 3.42Å; A198-E201 PolarHBondContact O-N 3.28Å; E201-Y203 PolarHBondContact O-N 3.2Å; E201-N204 PolarHBondContact O-N 3.44Å; E201-A205 WeakPolarHBondContact O-CB 3.4Å; E201-A205 PolarHBondContact O-N 3.4Å
202	P	95.9	Very high	91.1	Very high	6 Å²	6	28.2 Å²	28.2	4%	0.039	17%	0.166	C	C	.	.	H	α-helix	trans	-62.4	-38.9	177.5	-26.8	37.6	0	0	0	114.6	V200 V206 L409 K412 M416	V200-P202 VanDerWaalsContact O-N 3.13Å; P202-V206 VanDerWaalsContact O-CG2 3.32Å; P202-V206 WeakPolarHBondContact O-CG2 2.94Å; P202-V206 PolarHBondContact O-N 2.91Å; P202-L409 HydrophobicContact CB-CD1 3.97Å; P202-K412 HydrophobicContact CB-CB 4.04Å; P202-K412 HydrophobicContact CG-CB 3.89Å; P202-K412 HydrophobicContact CG-CD 4.31Å; P202-M416 HydrophobicContact CB-SD 4.06Å; P202-M416 HydrophobicContact CG-SD 3.78Å
203	Y	97.4	Very high	91.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.9	-48.1	177.3	-71.2	-20.7	0	0	0	111.2	V200 E201 A205 V206 L207 F413 M416 Y417 A421 F422 V423 Y426 F436	V200-Y203 PolarHBondContact O-N 2.91Å; E201-Y203 PolarHBondContact O-N 3.2Å; Y203-A205 VanDerWaalsContact C-N 3.29Å; Y203-A205 PolarHBondContact O-N 3.11Å; Y203-V206 PolarHBondContact O-N 3.21Å; Y203-L207 WeakPolarHBondContact O-CB 2.92Å; Y203-L207 WeakPolarHBondContact O-CD1 3.35Å; Y203-L207 VanDerWaalsContact O-CG 3.24Å; Y203-L207 WeakPolarHBondContact O-CG 3.48Å; Y203-L207 PolarHBondContact O-N 2.67Å; Y203-F413 AromaticContact CD1-CD2 3.42Å; Y203-F413 HydrophobicContact CD1-CD2 3.42Å; Y203-F413 VanDerWaalsContact CD1-CD2 3.42Å; Y203-F413 AromaticContact CD1-CE2 3.42Å; Y203-F413 HydrophobicContact CD1-CE2 3.42Å; Y203-F413 VanDerWaalsContact CD1-CE2 3.42Å; Y203-F413 HydrophobicContact CD1-CG 4.11Å; Y203-F413 HydrophobicContact CD1-CZ 4.11Å; Y203-F413 HydrophobicContact CE1-CD2 4.02Å; Y203-F413 AromaticContact CE1-CE2 3.99Å; Y203-F413 HydrophobicContact CE1-CE2 3.99Å; Y203-F413 HydrophobicContact CE1-CG 4.31Å; Y203-F413 HydrophobicContact CE1-CZ 4.26Å; Y203-F413 HydrophobicContact CG-CD2 4.49Å; Y203-F413 HydrophobicContact CG-CE2 4.36Å; Y203-M416 HydrophobicContact CD2-CE 4.38Å; Y203-M416 HydrophobicContact CE1-CB 3.91Å; Y203-M416 HydrophobicContact CE2-CE 4.17Å; Y203-M416 PolarHBondContact OH-O 3.12Å; Y203-Y417 VanDerWaalsContact OH-CA 3.25Å; Y203-Y417 WeakPolarHBondContact OH-CA 3.25Å; Y203-Y417 PolarHBondContact OH-N 2.84Å; Y203-Y417 VanDerWaalsContact OH-N 3.16Å; Y203-A421 WeakPolarHBondContact CE2-O 3.49Å; Y203-A421 PolarHBondContact OH-O 2.85Å; Y203-F422 HydrophobicContact CE2-CB 4.34Å; Y203-V423 HydrophobicContact CE2-CG2 4.39Å; Y203-Y426 WeakPolarHBondContact CB-OH 3.4Å; Y203-Y426 HydrophobicContact CD2-CD2 4.33Å; Y203-Y426 AromaticContact CD2-CE2 3.72Å; Y203-Y426 HydrophobicContact CD2-CE2 3.72Å; Y203-Y426 AromaticContact CD2-CZ 3.98Å; Y203-F436 HydrophobicContact CD1-CD1 4.28Å; Y203-F436 HydrophobicContact CD1-CE1 4.03Å; Y203-F436 AromaticContact CD2-CE1 3.81Å; Y203-F436 HydrophobicContact CD2-CE1 3.81Å; Y203-F436 HydrophobicContact CD2-CZ 4.47Å; Y203-F436 HydrophobicContact CE1-CD1 4.43Å; Y203-F436 HydrophobicContact CE1-CE1 4.31Å; Y203-F436 HydrophobicContact CE2-CE1 4.09Å; Y203-F436 HydrophobicContact CG-CD1 4.44Å; Y203-F436 AromaticContact CG-CE1 3.76Å; Y203-F436 HydrophobicContact CG-CE1 3.76Å
204	N	97.5	Very high	91.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-56.1	-46.1	178.9	-67.2	-12.4	0	0	0	111.6	N119 Y121 F159 G160 V200 E201 L207 T208 Y426	N119-N204 PolarHBondContact O-ND2 2.88Å; Y121-N204 VanDerWaalsContact CB-OD1 3.26Å; Y121-N204 WeakPolarHBondContact CB-OD1 3.18Å; Y121-N204 PolarHBondContact N-OD1 3.28Å; F159-N204 CarbonylContact O-C 3.54Å; F159-N204 VanDerWaalsContact O-C 3.25Å; F159-N204 WeakPolarHBondContact O-CB 3.44Å; G160-N204 PolarHBondContact O-ND2 2.81Å; V200-N204 PolarHBondContact O-N 3.41Å; E201-N204 PolarHBondContact O-N 3.44Å; N204-L207 PolarHBondContact O-N 3.5Å; N204-T208 WeakPolarHBondContact O-CB 3.49Å; N204-T208 PolarHBondContact O-N 2.68Å; N204-T208 PolarHBondContact O-OG1 3.18Å; N204-Y426 PolarHBondContact OD1-OH 3.24Å
205	A	96.7	Very high	92.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-70.2	-36.6	-176.1	0	0	0	0	0	112.9	F159 P191 E201 Y203 T209 L409	F159-A205 HydrophobicContact CB-CB 3.89Å; F159-A205 HydrophobicContact CD1-CB 4.48Å; F159-A205 VanDerWaalsContact O-CA 3.27Å; F159-A205 WeakPolarHBondContact O-CA 3.31Å; F159-A205 PolarHBondContact O-N 3.38Å; F159-A205 VanDerWaalsContact O-N 3.11Å; P191-A205 HydrophobicContact CG-CB 3.4Å; E201-A205 WeakPolarHBondContact O-CB 3.4Å; E201-A205 PolarHBondContact O-N 3.4Å; Y203-A205 VanDerWaalsContact C-N 3.29Å; Y203-A205 PolarHBondContact O-N 3.11Å; A205-T209 WeakPolarHBondContact O-CB 3.44Å; A205-T209 PolarHBondContact O-N 3.46Å; A205-T209 PolarHBondContact O-OG1 3.21Å; A205-L409 HydrophobicContact CB-CD1 3.95Å; A205-L409 HydrophobicContact CB-CD2 3.66Å; A205-L409 HydrophobicContact CB-CG 4.5Å
206	V	97.3	Very high	93.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66.3	-46.6	175	172.4	0	0	0	0	110.3	P202 Y203 T209 H210 L409 F413 A439 L443	P202-V206 VanDerWaalsContact O-CG2 3.32Å; P202-V206 WeakPolarHBondContact O-CG2 2.94Å; P202-V206 PolarHBondContact O-N 2.91Å; Y203-V206 PolarHBondContact O-N 3.21Å; V206-T209 PolarHBondContact O-N 2.94Å; V206-H210 WeakPolarHBondContact O-CB 3.49Å; V206-H210 PolarHBondContact O-N 2.88Å; V206-L409 HydrophobicContact CG2-CD1 4.32Å; V206-L409 HydrophobicContact CG2-CD2 3.58Å; V206-L409 HydrophobicContact CG2-CG 3.68Å; V206-F413 HydrophobicContact CB-CD2 3.54Å; V206-F413 HydrophobicContact CB-CE2 3.77Å; V206-F413 HydrophobicContact CB-CG 4.43Å; V206-F413 HydrophobicContact CG1-CD2 3.87Å; V206-F413 HydrophobicContact CG1-CE2 3.78Å; V206-F413 HydrophobicContact CG1-CZ 4.39Å; V206-F413 HydrophobicContact CG2-CB 3.95Å; V206-F413 HydrophobicContact CG2-CD2 3.39Å; V206-F413 HydrophobicContact CG2-CE2 4.14Å; V206-F413 HydrophobicContact CG2-CG 3.89Å; V206-A439 HydrophobicContact CG1-CB 3.88Å; V206-L443 HydrophobicContact CG1-CD2 4.5Å; V206-L443 HydrophobicContact CG2-CD2 3.78Å
207	L	97.9	Very high	93.7	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-63.5	-43.3	179.5	-67.4	167.6	0	0	0	112.3	Y121 Y203 N204 T209 H210 A211 Y426 M431 F436 A439	Y121-L207 HydrophobicContact CD1-CB 4Å; Y121-L207 HydrophobicContact CD1-CD1 3.79Å; Y121-L207 HydrophobicContact CD1-CG 4.47Å; Y121-L207 HydrophobicContact CD2-CB 3.8Å; Y121-L207 HydrophobicContact CE1-CB 4.03Å; Y121-L207 HydrophobicContact CE1-CD1 4.4Å; Y121-L207 HydrophobicContact CE2-CB 3.8Å; Y121-L207 HydrophobicContact CG-CB 3.93Å; Y121-L207 HydrophobicContact CG-CD1 3.99Å; Y203-L207 WeakPolarHBondContact O-CB 2.92Å; Y203-L207 WeakPolarHBondContact O-CD1 3.35Å; Y203-L207 VanDerWaalsContact O-CG 3.24Å; Y203-L207 WeakPolarHBondContact O-CG 3.48Å; Y203-L207 PolarHBondContact O-N 2.67Å; N204-L207 PolarHBondContact O-N 3.5Å; L207-T209 PolarHBondContact O-N 3.14Å; L207-H210 PolarHBondContact O-N 2.96Å; L207-A211 PolarHBondContact O-N 3.12Å; L207-Y426 HydrophobicContact CD1-CD1 3.9Å; L207-Y426 HydrophobicContact CD1-CE1 3.79Å; L207-M431 HydrophobicContact CD1-CE 3.69Å; L207-M431 HydrophobicContact CD1-SD 3.94Å; L207-M431 HydrophobicContact CD2-CE 3.32Å; L207-M431 HydrophobicContact CD2-SD 4.48Å; L207-M431 HydrophobicContact CG-CE 4.16Å; L207-F436 HydrophobicContact CD1-CE1 4.31Å; L207-A439 HydrophobicContact CD2-CB 3.76Å
208	T	97.2	Very high	94.4	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.012	11%	0.111	C	C	.	.	H	α-helix	trans	-66.5	-35.9	174.6	-72.9	0	0	0	0	113.1	Y121 F159 S165 S169 N204 G212	Y121-T208 WeakPolarHBondContact CD2-OG1 3.34Å; Y121-T208 WeakPolarHBondContact CE2-OG1 3.4Å; F159-T208 HydrophobicContact CD1-CG2 3.92Å; F159-T208 HydrophobicContact CD2-CG2 4.09Å; F159-T208 HydrophobicContact CE1-CG2 4.03Å; F159-T208 HydrophobicContact CE2-CG2 4.17Å; F159-T208 HydrophobicContact CG-CG2 3.96Å; F159-T208 HydrophobicContact CZ-CG2 4.15Å; S165-T208 WeakPolarHBondContact CA-OG1 3.48Å; S165-T208 WeakPolarHBondContact CB-OG1 3.27Å; S165-T208 PolarHBondContact O-OG1 2.82Å; S165-T208 VanDerWaalsContact O-OG1 3.13Å; S169-T208 PolarHBondContact OG-OG1 2.95Å; N204-T208 WeakPolarHBondContact O-CB 3.49Å; N204-T208 PolarHBondContact O-N 2.68Å; N204-T208 PolarHBondContact O-OG1 3.18Å; T208-G212 WeakPolarHBondContact O-CA 3.5Å; T208-G212 PolarHBondContact O-N 3.47Å
209	T	96.3	Very high	94.9	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	11%	0.107	C	C	.	.	H	α-helix	trans	-61.7	-49.9	173.4	-53.5	0	0	0	0	109.3	F159 A205 V206 L207 G212 L213 F285 W406 L443 L446	F159-T209 WeakPolarHBondContact CE1-OG1 3.41Å; A205-T209 WeakPolarHBondContact O-CB 3.44Å; A205-T209 PolarHBondContact O-N 3.46Å; A205-T209 PolarHBondContact O-OG1 3.21Å; V206-T209 PolarHBondContact O-N 2.94Å; L207-T209 PolarHBondContact O-N 3.14Å; T209-G212 PolarHBondContact O-N 3.02Å; T209-L213 WeakPolarHBondContact O-CG 3.46Å; T209-L213 PolarHBondContact O-N 2.91Å; T209-F285 HydrophobicContact CG2-CZ 4.05Å; T209-W406 HydrophobicContact CG2-CZ3 4.35Å; T209-L443 HydrophobicContact CG2-CD1 4.08Å; T209-L446 HydrophobicContact CG2-CD2 4.18Å
210	H	96.3	Very high	95.1	Very high	44 Å²	44	14.8 Å²	14.8	20%	0.204	8%	0.08	C	C	.	.	H	α-helix	trans	-56.9	-52.8	178.8	169.8	72.5	0	0	0	112.9	V206 L207 G212 L213 A439 D442	V206-H210 WeakPolarHBondContact O-CB 3.49Å; V206-H210 PolarHBondContact O-N 2.88Å; L207-H210 PolarHBondContact O-N 2.96Å; H210-G212 VanDerWaalsContact C-N 3.34Å; H210-G212 PolarHBondContact O-N 3.35Å; H210-L213 PolarHBondContact O-N 3.27Å; H210-A439 HydrophobicContact CB-CB 3.47Å; H210-A439 VanDerWaalsContact CB-CB 3.47Å; H210-D442 IonicContact CE1-OD2 3.2Å; H210-D442 PolarHBondContact CE1-OD2 2.89Å; H210-D442 IonicContact ND1-OD2 2.97Å; H210-D442 PolarHBondContact ND1-OD2 2.94Å
211	A	94.7	Very high	95.1	Very high	12 Å²	12	14.6 Å²	14.6	10%	0.099	8%	0.079	C	C	.	.	H	α-helix	trans	-65.2	-37.9	178.9	0	0	0	0	0	112.3	Y121 L207 L213 H215	Y121-A211 WeakPolarHBondContact OH-CB 3.48Å; L207-A211 PolarHBondContact O-N 3.12Å; A211-L213 VanDerWaalsContact C-N 3.31Å; A211-L213 PolarHBondContact O-N 2.87Å; A211-H215 PolarHBondContact O-CD2 3.22Å; A211-H215 VanDerWaalsContact O-CD2 3.26Å
212	G	92.1	Very high	95.1	Very high	5 Å²	5	14.7 Å²	14.7	5%	0.052	8%	0.08	C	C	.	.	H	α-helix	trans	-68.6	-23.7	179.9	0	0	0	0	0	114.5	T208 T209 H210 N214 H215 S216	T208-G212 WeakPolarHBondContact O-CA 3.5Å; T208-G212 PolarHBondContact O-N 3.47Å; T209-G212 PolarHBondContact O-N 3.02Å; H210-G212 VanDerWaalsContact C-N 3.34Å; H210-G212 PolarHBondContact O-N 3.35Å; G212-N214 PolarHBondContact O-N 2.9Å; G212-N214 VanDerWaalsContact O-N 3.15Å; G212-H215 PolarHBondContact O-N 3.23Å; G212-H215 VanDerWaalsContact O-N 3.12Å; G212-S216 WeakPolarHBondContact O-CB 3.3Å; G212-S216 PolarHBondContact O-N 3.33Å
213	L	93.2	Very high	95	Very high	8 Å²	8	14.4 Å²	14.4	4%	0.042	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-35.2	-172.6	-86.1	171.8	0	0	0	113.8	T209 H210 A211 R282 F285 D442 L446	T209-L213 WeakPolarHBondContact O-CG 3.46Å; T209-L213 PolarHBondContact O-N 2.91Å; H210-L213 PolarHBondContact O-N 3.27Å; A211-L213 VanDerWaalsContact C-N 3.31Å; A211-L213 PolarHBondContact O-N 2.87Å; L213-R282 HydrophobicContact CD2-CB 4.41Å; L213-F285 HydrophobicContact CD2-CE2 3.89Å; L213-F285 HydrophobicContact CD2-CZ 4.09Å; L213-D442 HydrophobicContact CD1-CB 4.38Å; L213-L446 HydrophobicContact CD2-CD1 4.36Å; L213-L446 HydrophobicContact CD2-CD2 4.38Å
214	N	90.8	Very high	94.8	Very high	126 Å²	126	15.6 Å²	15.6	67%	0.674	9%	0.085	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-6.8	-176.7	-63.9	-46.4	0	0	0	113.7	G212	G212-N214 PolarHBondContact O-N 2.9Å; G212-N214 VanDerWaalsContact O-N 3.15Å
215	H	94.2	Very high	94.6	Very high	49 Å²	49	17.1 Å²	17.1	23%	0.227	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123	1.8	-170.2	-60.8	-50.2	0	0	0	113.5	L172 S176 K184 A211 G212	L172-H215 HydrophobicContact CB-CB 3.85Å; S176-H215 WeakPolarHBondContact CB-ND1 3.48Å; S176-H215 WeakPolarHBondContact OG-CB 3.37Å; S176-H215 PolarHBondContact OG-ND1 3.09Å; K184-H215 VanDerWaalsContact CD-O 3.29Å; K184-H215 WeakPolarHBondContact CD-O 3.43Å; K184-H215 VanDerWaalsContact CE-O 3.26Å; K184-H215 WeakPolarHBondContact CE-O 3.17Å; A211-H215 PolarHBondContact O-CD2 3.22Å; A211-H215 VanDerWaalsContact O-CD2 3.26Å; G212-H215 PolarHBondContact O-N 3.23Å; G212-H215 VanDerWaalsContact O-N 3.12Å
216	S	93	Very high	94.5	Very high	11 Å²	11	17.4 Å²	17.4	8%	0.077	9%	0.094	C	C	.	.			trans	-116.6	133.1	-180	-175.6	0	0	0	0	111.1	Q186 G212	Q186-S216 PolarHBondContact NE2-OG 3.12Å; G212-S216 WeakPolarHBondContact O-CB 3.3Å; G212-S216 PolarHBondContact O-N 3.33Å
217	D	93	Very high	94.5	Very high	31 Å²	31	17.5 Å²	17.5	17%	0.166	10%	0.095	C	C	.	.	S	Bend	trans	-86	-36.5	174.1	-65.1	-65.2	0	0	0	111.6	A183 K184 Q274	A183-D217 WeakPolarHBondContact CA-OD2 3.31Å; K184-D217 PolarHBondContact N-OD2 3.45Å; K184-D217 IonicContact NZ-OD2 2.82Å; K184-D217 PolarHBondContact O-N 3.3Å; D217-Q274 HydrophobicContact CB-CG 4.44Å; D217-Q274 PolarHBondContact OD1-NE2 2.9Å
218	C	93.4	Very high	94.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	129.8	177.2	178.8	0	0	0	0	110.5	K184 L185 Q186 F220 V278 P286	K184-C218 PolarHBondContact O-N 3.18Å; L185-C218 CarbonylContact C-O 3.58Å; L185-C218 WeakPolarHBondContact CA-O 3.34Å; L185-C218 HydrophobicContact CD2-CB 3.66Å; Q186-C218 PolarHBondContact N-O 3.08Å; C218-F220 WeakPolarHBondContact SG-CE1 3.45Å; C218-V278 HydrophobicContact CB-CG2 4.49Å; C218-P286 WeakPolarHBondContact SG-CG 3.37Å
219	A	95.3	Very high	94.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	105.6	-179.8	0	0	0	0	0	110.6	Q186 I221 H284 F285 P286	Q186-A219 HydrophobicContact CB-CB 4.01Å; Q186-A219 CarbonylContact O-C 3.55Å; A219-I221 PolarHBondContact O-N 3.11Å; A219-H284 PolarHBondContact N-O 3.49Å; A219-F285 HydrophobicContact CB-CD1 3.77Å; A219-F285 HydrophobicContact CB-CE1 3.98Å; A219-F285 WeakPolarHBondContact O-CA 3.47Å; A219-P286 WeakPolarHBondContact O-CD 3.48Å
220	F	95.7	Very high	94.2	Very high	1 Å²	1	24 Å²	24	0%	0.004	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	111.7	175.1	-52.6	-65.3	0	0	0	109.5	L185 Q186 F187 S188 C218 I256 F273 L277 P286 V288 V396	L185-F220 HydrophobicContact CB-CE2 4.23Å; L185-F220 HydrophobicContact CD1-CE2 4.39Å; Q186-F220 VanDerWaalsContact O-CD2 3.31Å; Q186-F220 WeakPolarHBondContact O-CD2 3.28Å; Q186-F220 PolarHBondContact O-N 3.28Å; F187-F220 HydrophobicContact CD1-CB 3.91Å; F187-F220 AromaticContact CD1-CD2 3.86Å; F187-F220 HydrophobicContact CD1-CD2 3.86Å; F187-F220 HydrophobicContact CD1-CG 4.26Å; F187-F220 HydrophobicContact CD2-CD2 4.32Å; F187-F220 HydrophobicContact CE1-CB 4.06Å; F187-F220 AromaticContact CE1-CD2 3.49Å; F187-F220 HydrophobicContact CE1-CD2 3.49Å; F187-F220 VanDerWaalsContact CE1-CD2 3.49Å; F187-F220 HydrophobicContact CE1-CE2 4.23Å; F187-F220 AromaticContact CE1-CG 3.98Å; F187-F220 HydrophobicContact CE1-CG 3.98Å; F187-F220 AromaticContact CE2-CD2 3.99Å; F187-F220 HydrophobicContact CE2-CD2 3.99Å; F187-F220 HydrophobicContact CE2-CE2 4.24Å; F187-F220 HydrophobicContact CG-CD2 4.27Å; F187-F220 AromaticContact CZ-CD2 3.57Å; F187-F220 HydrophobicContact CZ-CD2 3.57Å; F187-F220 AromaticContact CZ-CE2 3.88Å; F187-F220 HydrophobicContact CZ-CE2 3.88Å; F187-F220 HydrophobicContact CZ-CG 4.45Å; S188-F220 PolarHBondContact N-O 3.34Å; C218-F220 WeakPolarHBondContact SG-CE1 3.45Å; F220-I256 HydrophobicContact CD1-CD1 4.45Å; F220-I256 HydrophobicContact CE2-CG2 4.13Å; F220-I256 HydrophobicContact CG-CD1 4.42Å; F220-I256 HydrophobicContact CZ-CG2 4.17Å; F220-F273 HydrophobicContact CZ-CB 4.41Å; F220-F273 HydrophobicContact CZ-CD1 4.42Å; F220-F273 HydrophobicContact CZ-CD2 4.44Å; F220-F273 HydrophobicContact CZ-CG 4.18Å; F220-L277 HydrophobicContact CE1-CD1 4.47Å; F220-P286 HydrophobicContact CD1-CG 3.78Å; F220-P286 HydrophobicContact CE1-CG 3.96Å; F220-V288 HydrophobicContact CB-CG1 4.07Å; F220-V288 HydrophobicContact CD1-CG1 4.34Å; F220-V396 HydrophobicContact CD1-CG1 3.66Å; F220-V396 HydrophobicContact CE1-CG1 3.56Å
221	I	94.3	Very high	94.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	137.4	-175.8	-58.2	-165.3	0	0	0	110.4	Y190 A219 F285 P286 V321 I402 W406	Y190-I221 VanDerWaalsContact CB-CG2 3.46Å; Y190-I221 HydrophobicContact CD1-CG2 4.43Å; Y190-I221 HydrophobicContact CD2-CD1 4.44Å; Y190-I221 HydrophobicContact CD2-CG2 4.37Å; Y190-I221 HydrophobicContact CG-CG2 3.84Å; A219-I221 PolarHBondContact O-N 3.11Å; I221-F285 HydrophobicContact CD1-CB 3.67Å; I221-F285 HydrophobicContact CD1-CD1 3.68Å; I221-F285 HydrophobicContact CD1-CG 4.01Å; I221-F285 HydrophobicContact CG1-CB 4.24Å; I221-F285 HydrophobicContact CG1-CD1 4.23Å; I221-P286 PolarHBondContact N-O 3.04Å; I221-P286 VanDerWaalsContact N-O 3.08Å; I221-V321 HydrophobicContact CB-CG2 4.13Å; I221-V321 HydrophobicContact CG2-CG2 3.66Å; I221-V321 WeakPolarHBondContact O-CG2 3.42Å; I221-I402 HydrophobicContact CD1-CD1 4.49Å; I221-W406 HydrophobicContact CD1-CH2 3.32Å; I221-W406 HydrophobicContact CD1-CZ2 3.68Å; I221-W406 HydrophobicContact CD1-CZ3 4.41Å
222	S	94.9	Very high	94.3	Very high	11 Å²	11	26.3 Å²	26.3	8%	0.077	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	153.5	165.2	-60.6	0	0	0	0	110.3	S188 I189 Y190 V288 A320	S188-S222 PolarHBondContact O-N 2.96Å; I189-S222 CarbonylContact C-O 3.47Å; I189-S222 WeakPolarHBondContact CA-O 3.37Å; Y190-S222 PolarHBondContact N-O 3.5Å; S222-V288 VanDerWaalsContact OG-CG2 3.28Å; S222-V288 WeakPolarHBondContact OG-CG2 3.15Å; S222-A320 CarbonylContact C-O 3.53Å; S222-A320 VanDerWaalsContact CA-O 3.32Å; S222-A320 WeakPolarHBondContact CA-O 3.41Å
223	D	93.9	Very high	94.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	150.7	171.3	79.4	62.9	0	0	0	112.2	Y190 A192 E225 A226 I227 A320 V321 K322	Y190-D223 WeakPolarHBondContact O-CB 3.39Å; A192-D223 HydrophobicContact CB-CB 4.29Å; D223-E225 VanDerWaalsContact C-N 3.27Å; D223-E225 PolarHBondContact O-N 2.87Å; D223-E225 WeakPolarHBondContact OD1-CA 3.47Å; D223-E225 WeakPolarHBondContact OD1-CB 3.5Å; D223-E225 PolarHBondContact OD1-N 3.25Å; D223-A226 WeakPolarHBondContact OD1-CB 3.02Å; D223-A226 PolarHBondContact OD1-N 3.08Å; D223-I227 WeakPolarHBondContact O-CG1 3.49Å; D223-I227 PolarHBondContact O-N 2.96Å; D223-A320 PolarHBondContact N-O 3.49Å; D223-V321 VanDerWaalsContact OD2-CA 3.24Å; D223-V321 WeakPolarHBondContact OD2-CA 3.22Å; D223-K322 WeakPolarHBondContact OD2-CB 3.31Å; D223-K322 PolarHBondContact OD2-N 2.9Å
224	N	93	Very high	94.5	Very high	26 Å²	26	32 Å²	32	14%	0.139	15%	0.154	C	C	.	.	H	α-helix	trans	-65.8	-30.4	-174.8	-71.3	-32.5	0	0	0	112.7	Y228 L245	N224-Y228 WeakPolarHBondContact O-CB 3.32Å; N224-Y228 PolarHBondContact O-N 2.76Å; N224-L245 HydrophobicContact CB-CD2 3.91Å; N224-L245 WeakPolarHBondContact O-CD2 3.4Å
225	E	94.3	Very high	94.6	Very high	31 Å²	31	26.3 Å²	26.3	15%	0.145	12%	0.123	C	C	.	.	H	α-helix	trans	-73.8	-42.3	-176.2	-170.1	-170	131.9	0	0	111.2	A192 P193 M194 V195 D223 Y228 D229 K322	A192-E225 HydrophobicContact CB-CB 3.66Å; P193-E225 VanDerWaalsContact CD-OE2 3.23Å; P193-E225 WeakPolarHBondContact CD-OE2 3.42Å; M194-E225 WeakPolarHBondContact CB-OE2 3.45Å; M194-E225 PolarHBondContact N-OE2 2.66Å; V195-E225 HydrophobicContact CG2-CB 4.3Å; V195-E225 HydrophobicContact CG2-CG 4.37Å; D223-E225 VanDerWaalsContact C-N 3.27Å; D223-E225 PolarHBondContact O-N 2.87Å; D223-E225 WeakPolarHBondContact OD1-CA 3.47Å; D223-E225 WeakPolarHBondContact OD1-CB 3.5Å; D223-E225 PolarHBondContact OD1-N 3.25Å; E225-Y228 PolarHBondContact O-N 2.94Å; E225-D229 PolarHBondContact O-N 3.12Å; E225-K322 HydrophobicContact CB-CG 4.34Å; E225-K322 WeakPolarHBondContact OE1-CE 3.2Å; E225-K322 IonicContact OE1-NZ 2.84Å; E225-K322 PolarHBondContact OE1-NZ 3.38Å
226	A	94.9	Very high	94.6	Very high	6 Å²	6	28.4 Å²	28.4	5%	0.05	14%	0.136	C	C	.	.	H	α-helix	trans	-62.2	-46	173.9	0	0	0	0	0	111.7	D223 D229 L230 A320 K322	D223-A226 WeakPolarHBondContact OD1-CB 3.02Å; D223-A226 PolarHBondContact OD1-N 3.08Å; A226-D229 PolarHBondContact O-N 3.37Å; A226-L230 WeakPolarHBondContact O-CG 3.46Å; A226-L230 PolarHBondContact O-N 3.48Å; A226-A320 VanDerWaalsContact CB-C 3.47Å; A226-A320 WeakPolarHBondContact CB-O 3.11Å; A226-K322 HydrophobicContact CB-CD 4.39Å; A226-K322 HydrophobicContact CB-CG 4.18Å
227	I	95.6	Very high	94.6	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-68.2	-37.8	178.1	-57.6	165.7	0	0	0	111.1	D223 D229 L230 C231 L245 I248 V249 A320	D223-I227 WeakPolarHBondContact O-CG1 3.49Å; D223-I227 PolarHBondContact O-N 2.96Å; I227-D229 VanDerWaalsContact C-N 3.34Å; I227-D229 PolarHBondContact O-N 3.3Å; I227-L230 WeakPolarHBondContact O-CB 3.48Å; I227-L230 PolarHBondContact O-N 3.26Å; I227-C231 PolarHBondContact O-N 3.14Å; I227-C231 PolarHBondContact O-SG 2.66Å; I227-C231 VanDerWaalsContact O-SG 3.39Å; I227-L245 HydrophobicContact CB-CG 4.05Å; I227-L245 HydrophobicContact CG2-CB 3.94Å; I227-L245 HydrophobicContact CG2-CG 3.74Å; I227-I248 HydrophobicContact CG2-CB 3.89Å; I227-I248 HydrophobicContact CG2-CG1 4.16Å; I227-I248 HydrophobicContact CG2-CG2 4.14Å; I227-V249 HydrophobicContact CD1-CG2 3.61Å; I227-A320 HydrophobicContact CG1-CB 4.37Å
228	Y	95.4	Very high	94.7	Very high	77 Å²	77	35.2 Å²	35.2	30%	0.302	17%	0.166	S	C	.	.	H	α-helix	trans	-57.7	-47.4	173.5	-177.1	-79.9	0	0	0	111.5	N224 E225 L230 C231 K232 P240 L245	N224-Y228 WeakPolarHBondContact O-CB 3.32Å; N224-Y228 PolarHBondContact O-N 2.76Å; E225-Y228 PolarHBondContact O-N 2.94Å; Y228-L230 VanDerWaalsContact C-N 3.32Å; Y228-L230 PolarHBondContact O-N 2.78Å; Y228-C231 PolarHBondContact O-N 3.23Å; Y228-K232 HydrophobicContact CE1-CD 4.11Å; Y228-K232 WeakPolarHBondContact O-CB 3.3Å; Y228-K232 PolarHBondContact O-N 3.14Å; Y228-P240 HydrophobicContact CD1-CG 4.46Å; Y228-P240 HydrophobicContact CD2-CB 3.73Å; Y228-P240 HydrophobicContact CD2-CG 4.14Å; Y228-P240 HydrophobicContact CE1-CG 4.38Å; Y228-P240 HydrophobicContact CE2-CB 3.87Å; Y228-P240 HydrophobicContact CE2-CG 4.08Å; Y228-P240 WeakPolarHBondContact CE2-O 3.43Å; Y228-P240 HydrophobicContact CG-CB 4.26Å; Y228-P240 HydrophobicContact CG-CG 4.33Å; Y228-L245 HydrophobicContact CD2-CD1 4.38Å
229	D	95.6	Very high	94.7	Very high	58 Å²	58	42.8 Å²	42.8	31%	0.31	20%	0.201	S	C	.	.	H	α-helix	trans	-65	-35.1	177.9	-76.3	-14.5	0	0	0	112.7	E225 A226 I227 R233 K322	E225-D229 PolarHBondContact O-N 3.12Å; A226-D229 PolarHBondContact O-N 3.37Å; I227-D229 VanDerWaalsContact C-N 3.34Å; I227-D229 PolarHBondContact O-N 3.3Å; D229-R233 WeakPolarHBondContact O-CB 3.45Å; D229-R233 PolarHBondContact O-N 3.11Å; D229-K322 WeakPolarHBondContact OD2-CE 3.29Å; D229-K322 IonicContact OD2-NZ 3.52Å; D229-K322 PolarHBondContact OD2-NZ 3.46Å
230	L	95.6	Very high	94.7	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-60.4	-52	172.1	-77.3	168.2	0	0	0	111.1	A226 I227 Y228 K232 R233 N234 I293 E317	A226-L230 WeakPolarHBondContact O-CG 3.46Å; A226-L230 PolarHBondContact O-N 3.48Å; I227-L230 WeakPolarHBondContact O-CB 3.48Å; I227-L230 PolarHBondContact O-N 3.26Å; Y228-L230 VanDerWaalsContact C-N 3.32Å; Y228-L230 PolarHBondContact O-N 2.78Å; L230-K232 VanDerWaalsContact C-N 3.33Å; L230-K232 PolarHBondContact O-N 2.63Å; L230-R233 PolarHBondContact O-N 3.1Å; L230-N234 WeakPolarHBondContact O-CB 3.46Å; L230-N234 PolarHBondContact O-N 3.14Å; L230-I293 HydrophobicContact CB-CD1 4.49Å; L230-I293 HydrophobicContact CD1-CD1 4.22Å; L230-I293 HydrophobicContact CD2-CD1 4.2Å; L230-E317 WeakPolarHBondContact CD2-O 3.14Å
231	C	95.6	Very high	94.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.6	-46.2	177.8	-70	0	0	0	0	111.3	I227 Y228 L235 P240	I227-C231 PolarHBondContact O-N 3.14Å; I227-C231 PolarHBondContact O-SG 2.66Å; I227-C231 VanDerWaalsContact O-SG 3.39Å; Y228-C231 PolarHBondContact O-N 3.23Å; C231-L235 WeakPolarHBondContact O-CA 3.49Å; C231-L235 VanDerWaalsContact O-CB 3.25Å; C231-L235 WeakPolarHBondContact O-CB 3.2Å; C231-L235 PolarHBondContact O-N 2.94Å; C231-P240 HydrophobicContact CB-CB 3.74Å; C231-P240 HydrophobicContact CB-CG 3.64Å
232	K	95.9	Very high	94.6	Very high	105 Å²	105	51.9 Å²	51.9	46%	0.457	24%	0.243	S	C	.	.	H	α-helix	trans	-63	-47.3	-177.5	-175.9	169.9	-176.4	171.6	0	113	Y228 L230 I237 P240	Y228-K232 HydrophobicContact CE1-CD 4.11Å; Y228-K232 WeakPolarHBondContact O-CB 3.3Å; Y228-K232 PolarHBondContact O-N 3.14Å; L230-K232 VanDerWaalsContact C-N 3.33Å; L230-K232 PolarHBondContact O-N 2.63Å; K232-I237 VanDerWaalsContact CA-O 3.3Å; K232-I237 WeakPolarHBondContact CA-O 3.19Å; K232-P240 HydrophobicContact CB-CG 4.02Å
233	R	95.1	Very high	94.6	Very high	98 Å²	98	54.3 Å²	54.3	37%	0.37	26%	0.256	S	S	.	.	H	α-helix	trans	-78.5	-42	-175.2	175.1	176.3	27.9	87.8	0.9	113	D229 L230 E317	D229-R233 WeakPolarHBondContact O-CB 3.45Å; D229-R233 PolarHBondContact O-N 3.11Å; L230-R233 PolarHBondContact O-N 3.1Å; R233-E317 PolarHBondContact NH2-O 2.89Å
234	N	94.6	Very high	94.7	Very high	36 Å²	36	55.7 Å²	55.7	19%	0.193	26%	0.262	C	S	.	.	H	α-helix	trans	-94.2	-35.7	-169.8	-68.3	-4.3	0	0	0	112.4	L230 I293 K298	L230-N234 WeakPolarHBondContact O-CB 3.46Å; L230-N234 PolarHBondContact O-N 3.14Å; N234-I293 HydrophobicContact CB-CB 4.3Å; N234-I293 HydrophobicContact CB-CG2 3.84Å; N234-I293 VanDerWaalsContact CB-O 3.32Å; N234-I293 WeakPolarHBondContact CB-O 3.34Å; N234-K298 PolarHBondContact O-NZ 2.92Å
235	L	94.3	Very high	94.8	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.031	26%	0.257	C	S	.	.	S	Bend	trans	-96.7	2.1	-178.4	-54.6	-176.5	0	0	0	113.9	C231 I237 I248 I293 T295 H385 L386	C231-L235 WeakPolarHBondContact O-CA 3.49Å; C231-L235 VanDerWaalsContact O-CB 3.25Å; C231-L235 WeakPolarHBondContact O-CB 3.2Å; C231-L235 PolarHBondContact O-N 2.94Å; L235-I237 HydrophobicContact CB-CD1 3.76Å; L235-I237 HydrophobicContact CB-CG1 3.85Å; L235-I237 HydrophobicContact CD1-CD1 4.1Å; L235-I237 PolarHBondContact O-N 3.29Å; L235-I248 HydrophobicContact CD1-CD1 4.16Å; L235-I293 HydrophobicContact CD1-CG2 4.28Å; L235-I293 HydrophobicContact CD2-CG2 3.66Å; L235-I293 HydrophobicContact CG-CG2 3.83Å; L235-T295 VanDerWaalsContact C-CG2 3.4Å; L235-T295 VanDerWaalsContact CA-CG2 3.45Å; L235-T295 HydrophobicContact CB-CG2 4.38Å; L235-T295 HydrophobicContact CD2-CG2 4.47Å; L235-T295 VanDerWaalsContact O-CG2 3.26Å; L235-T295 WeakPolarHBondContact O-CG2 3.29Å; L235-H385 HydrophobicContact CD1-CB 4.42Å; L235-L386 HydrophobicContact CD1-CD2 4.16Å; L235-L386 HydrophobicContact CD2-CD2 3.9Å
236	D	92.8	Very high	94.9	Very high	93 Å²	93	53.6 Å²	53.6	50%	0.497	25%	0.252	S	S	.	.			trans	55.3	31.7	-179.9	-50.4	-43.8	0	0	0	112.7	T295 K298	D236-T295 HydrophobicContact CB-CG2 4.47Å; D236-K298 IonicContact OD1-NZ 2.77Å; D236-K298 PolarHBondContact OD1-NZ 3.42Å; D236-K298 WeakPolarHBondContact OD2-CE 3.49Å; D236-K298 IonicContact OD2-NZ 2.94Å; D236-K298 PolarHBondContact OD2-NZ 2.99Å
237	I	94	Very high	95	Very high	16 Å²	16	54.4 Å²	54.4	8%	0.082	25%	0.254	C	S	.	.			trans	-91.4	113	178.1	-57.4	171.8	0	0	0	108.2	K232 L235 Q239 P240 H244 H385	K232-I237 VanDerWaalsContact CA-O 3.3Å; K232-I237 WeakPolarHBondContact CA-O 3.19Å; L235-I237 HydrophobicContact CB-CD1 3.76Å; L235-I237 HydrophobicContact CB-CG1 3.85Å; L235-I237 HydrophobicContact CD1-CD1 4.1Å; L235-I237 PolarHBondContact O-N 3.29Å; I237-Q239 PolarHBondContact O-N 3.08Å; I237-P240 HydrophobicContact CB-CG 4.13Å; I237-P240 HydrophobicContact CG2-CB 4.34Å; I237-P240 HydrophobicContact CG2-CG 3.97Å; I237-P240 VanDerWaalsContact O-CD 3.31Å; I237-P240 WeakPolarHBondContact O-CD 3.33Å; I237-H244 HydrophobicContact CD1-CB 4.35Å; I237-H385 HydrophobicContact CD1-CB 4.12Å
238	E	93.9	Very high	95	Very high	168 Å²	168	54.6 Å²	54.6	79%	0.785	26%	0.255	S	S	*	.	S	Bend	trans	-64.3	-40	-176.4	-66.6	-170.3	163.7	0	0	113.4
239	Q	94.4	Very high	95.1	Very high	159 Å²	159	51.4 Å²	51.4	74%	0.743	24%	0.243	S	C	*	.	S	Bend	trans	-128.9	80.1	178.4	-65.1	-173.2	-13.6	0	0	111	I237	I237-Q239 PolarHBondContact O-N 3.08Å
240	P	95.3	Very high	95.1	Very high	11 Å²	11	48.7 Å²	48.7	7%	0.071	23%	0.229	C	C	.	.			trans	-56.3	152	171.7	-23.2	32.6	0	0	0	111.6	Y228 C231 K232 I237 H244 L245	Y228-P240 HydrophobicContact CD1-CG 4.46Å; Y228-P240 HydrophobicContact CD2-CB 3.73Å; Y228-P240 HydrophobicContact CD2-CG 4.14Å; Y228-P240 HydrophobicContact CE1-CG 4.38Å; Y228-P240 HydrophobicContact CE2-CB 3.87Å; Y228-P240 HydrophobicContact CE2-CG 4.08Å; Y228-P240 WeakPolarHBondContact CE2-O 3.43Å; Y228-P240 HydrophobicContact CG-CB 4.26Å; Y228-P240 HydrophobicContact CG-CG 4.33Å; C231-P240 HydrophobicContact CB-CB 3.74Å; C231-P240 HydrophobicContact CB-CG 3.64Å; K232-P240 HydrophobicContact CB-CG 4.02Å; I237-P240 HydrophobicContact CB-CG 4.13Å; I237-P240 HydrophobicContact CG2-CB 4.34Å; I237-P240 HydrophobicContact CG2-CG 3.97Å; I237-P240 VanDerWaalsContact O-CD 3.31Å; I237-P240 WeakPolarHBondContact O-CD 3.33Å; P240-H244 HydrophobicContact CB-CB 4.48Å; P240-L245 HydrophobicContact CB-CD1 3.89Å
241	N	94.2	Very high	95.2	Very high	81 Å²	81	48.9 Å²	48.9	43%	0.433	23%	0.23	S	C	.	.			trans	-135.3	174	-179.7	67.9	31.4	0	0	0	108.2	D243 H244 L245	N241-D243 PolarHBondContact O-N 3.38Å; N241-D243 VanDerWaalsContact O-N 3.15Å; N241-D243 VanDerWaalsContact OD1-CB 3.3Å; N241-D243 WeakPolarHBondContact OD1-CB 3.19Å; N241-D243 PolarHBondContact OD1-N 3.16Å; N241-H244 VanDerWaalsContact CG-ND1 3.31Å; N241-H244 PolarHBondContact N-ND1 2.99Å; N241-H244 VanDerWaalsContact N-ND1 3.15Å; N241-H244 PolarHBondContact ND2-CE1 2.85Å; N241-H244 WeakPolarHBondContact O-CB 3.31Å; N241-H244 PolarHBondContact O-N 3.47Å; N241-H244 PolarHBondContact OD1-N 3.11Å; N241-H244 PolarHBondContact OD1-ND1 3.18Å; N241-H244 VanDerWaalsContact OD1-ND1 3.1Å; N241-L245 WeakPolarHBondContact O-CD1 3.35Å; N241-L245 PolarHBondContact O-N 3.31Å; N241-L245 VanDerWaalsContact O-N 3.07Å
242	Y	93.9	Very high	95.2	Very high	100 Å²	100	49.3 Å²	49.3	39%	0.392	23%	0.232	S	C	.	.	H	α-helix	trans	-60.2	-26.8	-175.8	-68.6	-65.8	0	0	0	114.3	L245 N246	Y242-L245 HydrophobicContact CD1-CD2 4.24Å; Y242-L245 PolarHBondContact O-N 3.33Å; Y242-N246 WeakPolarHBondContact O-CB 3.33Å; Y242-N246 PolarHBondContact O-N 3.02Å; Y242-N246 PolarHBondContact O-ND2 3.26Å; Y242-N246 PolarHBondContact O-OD1 3.18Å
243	D	94.7	Very high	95.2	Very high	62 Å²	62	44.3 Å²	44.3	33%	0.332	21%	0.211	S	C	.	.	H	α-helix	trans	-62.4	-52.1	172.8	-171.5	82.1	0	0	0	110.1	K35 N241 L245 N246 R247	K35-D243 WeakPolarHBondContact CE-OD1 3.32Å; K35-D243 IonicContact NZ-OD1 2.68Å; K35-D243 PolarHBondContact NZ-OD1 3.47Å; N241-D243 PolarHBondContact O-N 3.38Å; N241-D243 VanDerWaalsContact O-N 3.15Å; N241-D243 VanDerWaalsContact OD1-CB 3.3Å; N241-D243 WeakPolarHBondContact OD1-CB 3.19Å; N241-D243 PolarHBondContact OD1-N 3.16Å; D243-L245 VanDerWaalsContact C-N 3.33Å; D243-L245 PolarHBondContact O-N 3.02Å; D243-N246 PolarHBondContact O-N 2.74Å; D243-R247 VanDerWaalsContact O-CG 3.32Å; D243-R247 WeakPolarHBondContact O-CG 2.91Å; D243-R247 PolarHBondContact O-N 2.79Å; D243-R247 IonicContact OD2-NE 2.6Å
244	H	95.5	Very high	95.2	Very high	30 Å²	30	39.7 Å²	39.7	14%	0.139	19%	0.193	C	C	.	.	H	α-helix	trans	-56.6	-44.8	177	-56	122.1	0	0	0	112.5	I237 P240 N241 R247 I248 H385	I237-H244 HydrophobicContact CD1-CB 4.35Å; P240-H244 HydrophobicContact CB-CB 4.48Å; N241-H244 VanDerWaalsContact CG-ND1 3.31Å; N241-H244 PolarHBondContact N-ND1 2.99Å; N241-H244 VanDerWaalsContact N-ND1 3.15Å; N241-H244 PolarHBondContact ND2-CE1 2.85Å; N241-H244 WeakPolarHBondContact O-CB 3.31Å; N241-H244 PolarHBondContact O-N 3.47Å; N241-H244 PolarHBondContact OD1-N 3.11Å; N241-H244 PolarHBondContact OD1-ND1 3.18Å; N241-H244 VanDerWaalsContact OD1-ND1 3.1Å; H244-R247 WeakPolarHBondContact O-CB 3.47Å; H244-R247 PolarHBondContact O-N 3.42Å; H244-I248 PolarHBondContact O-N 3.08Å; H244-H385 AromaticContact NE2-NE2 3.94Å
245	L	95.6	Very high	95.2	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-62.7	-48.4	178.8	-84.5	59.5	0	0	0	110.8	N224 I227 Y228 P240 N241 Y242 D243 R247 I248 V249	N224-L245 HydrophobicContact CB-CD2 3.91Å; N224-L245 WeakPolarHBondContact O-CD2 3.4Å; I227-L245 HydrophobicContact CB-CG 4.05Å; I227-L245 HydrophobicContact CG2-CB 3.94Å; I227-L245 HydrophobicContact CG2-CG 3.74Å; Y228-L245 HydrophobicContact CD2-CD1 4.38Å; P240-L245 HydrophobicContact CB-CD1 3.89Å; N241-L245 WeakPolarHBondContact O-CD1 3.35Å; N241-L245 PolarHBondContact O-N 3.31Å; N241-L245 VanDerWaalsContact O-N 3.07Å; Y242-L245 HydrophobicContact CD1-CD2 4.24Å; Y242-L245 PolarHBondContact O-N 3.33Å; D243-L245 VanDerWaalsContact C-N 3.33Å; D243-L245 PolarHBondContact O-N 3.02Å; L245-R247 VanDerWaalsContact C-N 3.26Å; L245-R247 PolarHBondContact O-N 3.11Å; L245-I248 WeakPolarHBondContact O-CB 3.39Å; L245-I248 PolarHBondContact O-N 3.02Å; L245-V249 PolarHBondContact O-N 2.95Å; L245-V249 VanDerWaalsContact O-N 3.11Å
246	N	96.2	Very high	95.1	Very high	9 Å²	9	38 Å²	38	5%	0.048	18%	0.184	C	C	.	.	H	α-helix	trans	-65.6	-28.1	-179	-67.2	-13.7	0	0	0	112.2	Q31 I32 K35 Y242 D243 V249 A250	Q31-N246 WeakPolarHBondContact CB-ND2 3.47Å; I32-N246 HydrophobicContact CG1-CB 4.41Å; I32-N246 WeakPolarHBondContact CG1-OD1 3.41Å; K35-N246 HydrophobicContact CB-CB 4.38Å; K35-N246 HydrophobicContact CG-CB 3.8Å; Y242-N246 WeakPolarHBondContact O-CB 3.33Å; Y242-N246 PolarHBondContact O-N 3.02Å; Y242-N246 PolarHBondContact O-ND2 3.26Å; Y242-N246 PolarHBondContact O-OD1 3.18Å; D243-N246 PolarHBondContact O-N 2.74Å; N246-V249 PolarHBondContact O-N 3.29Å; N246-A250 WeakPolarHBondContact O-CB 3.31Å; N246-A250 PolarHBondContact O-N 3.33Å
247	R	96.4	Very high	95.1	Very high	23 Å²	23	33.6 Å²	33.6	9%	0.087	16%	0.161	C	C	.	.	H	α-helix	trans	-62.2	-40.5	170.5	-67.7	-58.1	-173.8	-177.8	5	112.5	E38 D243 H244 L245 A250 Q251	E38-R247 VanDerWaalsContact CD-NH2 3.25Å; E38-R247 IonicContact OE1-CZ 3.54Å; E38-R247 IonicContact OE1-NH1 3.12Å; E38-R247 PolarHBondContact OE1-NH1 3.01Å; E38-R247 IonicContact OE1-NH2 3.49Å; E38-R247 PolarHBondContact OE1-NH2 3.2Å; E38-R247 IonicContact OE2-CZ 2.61Å; E38-R247 IonicContact OE2-NH1 3.54Å; E38-R247 PolarHBondContact OE2-NH1 3.16Å; E38-R247 IonicContact OE2-NH2 3.39Å; E38-R247 PolarHBondContact OE2-NH2 2.75Å; D243-R247 VanDerWaalsContact O-CG 3.32Å; D243-R247 WeakPolarHBondContact O-CG 2.91Å; D243-R247 PolarHBondContact O-N 2.79Å; D243-R247 IonicContact OD2-NE 2.6Å; H244-R247 WeakPolarHBondContact O-CB 3.47Å; H244-R247 PolarHBondContact O-N 3.42Å; L245-R247 VanDerWaalsContact C-N 3.26Å; L245-R247 PolarHBondContact O-N 3.11Å; R247-A250 PolarHBondContact O-N 2.75Å; R247-Q251 WeakPolarHBondContact O-CG 3.46Å; R247-Q251 PolarHBondContact O-N 3.47Å
248	I	96.3	Very high	94.9	Very high	6 Å²	6	33 Å²	33	3%	0.031	16%	0.158	C	C	.	.	H	α-helix	trans	-67.2	-45	176.2	-59.3	-57.1	0	0	0	110.4	I227 L235 H244 L245 A250 Q251 V252 I293 L386	I227-I248 HydrophobicContact CG2-CB 3.89Å; I227-I248 HydrophobicContact CG2-CG1 4.16Å; I227-I248 HydrophobicContact CG2-CG2 4.14Å; L235-I248 HydrophobicContact CD1-CD1 4.16Å; H244-I248 PolarHBondContact O-N 3.08Å; L245-I248 WeakPolarHBondContact O-CB 3.39Å; L245-I248 PolarHBondContact O-N 3.02Å; I248-A250 VanDerWaalsContact C-N 3.29Å; I248-A250 PolarHBondContact O-N 3.26Å; I248-Q251 PolarHBondContact O-N 2.87Å; I248-Q251 VanDerWaalsContact O-N 3.16Å; I248-V252 PolarHBondContact O-N 3.09Å; I248-V252 VanDerWaalsContact O-N 3.11Å; I248-I293 HydrophobicContact CD1-CD1 4.33Å; I248-I293 HydrophobicContact CD1-CG1 4.44Å; I248-I293 HydrophobicContact CD1-CG2 4.06Å; I248-I293 HydrophobicContact CG2-CD1 4.03Å; I248-L386 HydrophobicContact CD1-CD1 4.45Å; I248-L386 HydrophobicContact CD1-CD2 3.98Å
249	V	96.9	Very high	94.5	Very high	9 Å²	9	25.6 Å²	25.6	6%	0.055	13%	0.125	C	C	.	.	H	α-helix	trans	-59.1	-42.9	176	-179.7	0	0	0	0	110.6	I32 I189 I227 L245 N246 Q251 V252 V253	I32-V249 HydrophobicContact CD1-CG1 4.43Å; I32-V249 HydrophobicContact CG2-CB 4.45Å; I32-V249 HydrophobicContact CG2-CG1 3.72Å; I189-V249 HydrophobicContact CD1-CG2 4.47Å; I227-V249 HydrophobicContact CD1-CG2 3.61Å; L245-V249 PolarHBondContact O-N 2.95Å; L245-V249 VanDerWaalsContact O-N 3.11Å; N246-V249 PolarHBondContact O-N 3.29Å; V249-Q251 VanDerWaalsContact C-N 3.31Å; V249-Q251 PolarHBondContact O-N 3.26Å; V249-V252 WeakPolarHBondContact O-CB 3.45Å; V249-V252 PolarHBondContact O-N 3.37Å; V249-V252 VanDerWaalsContact O-N 3.16Å; V249-V253 HydrophobicContact CG1-CG2 4.02Å; V249-V253 WeakPolarHBondContact O-CB 3.22Å; V249-V253 WeakPolarHBondContact O-CG2 3.4Å; V249-V253 PolarHBondContact O-N 3.34Å
250	A	97	Very high	94.1	Very high	2 Å²	2	18.7 Å²	18.7	2%	0.017	9%	0.093	C	C	.	.	H	α-helix	trans	-59.9	-37.7	177.2	0	0	0	0	0	113	K35 L39 N246 R247 I248 S254	K35-A250 HydrophobicContact CB-CB 4.12Å; L39-A250 HydrophobicContact CD2-CB 4.25Å; L39-A250 WeakPolarHBondContact CD2-O 3.25Å; N246-A250 WeakPolarHBondContact O-CB 3.31Å; N246-A250 PolarHBondContact O-N 3.33Å; R247-A250 PolarHBondContact O-N 2.75Å; I248-A250 VanDerWaalsContact C-N 3.29Å; I248-A250 PolarHBondContact O-N 3.26Å; A250-S254 VanDerWaalsContact O-CB 3.3Å; A250-S254 WeakPolarHBondContact O-CB 3.41Å; A250-S254 PolarHBondContact O-N 3.46Å
251	Q	96.5	Very high	93.7	Very high	9 Å²	9	18.1 Å²	18.1	4%	0.042	9%	0.09	C	C	.	.	H	α-helix	trans	-67.3	-40.2	175.2	-69.6	-67	-22.8	0	0	112.5	R247 I248 V249 S255 Y290 T379 L386	R247-Q251 WeakPolarHBondContact O-CG 3.46Å; R247-Q251 PolarHBondContact O-N 3.47Å; I248-Q251 PolarHBondContact O-N 2.87Å; I248-Q251 VanDerWaalsContact O-N 3.16Å; V249-Q251 VanDerWaalsContact C-N 3.31Å; V249-Q251 PolarHBondContact O-N 3.26Å; Q251-S255 WeakPolarHBondContact O-CB 3.35Å; Q251-S255 PolarHBondContact O-N 3.28Å; Q251-S255 PolarHBondContact O-OG 3.47Å; Q251-Y290 HydrophobicContact CB-CE1 4.11Å; Q251-Y290 HydrophobicContact CB-CE2 4.42Å; Q251-T379 PolarHBondContact NE2-O 2.87Å; Q251-L386 HydrophobicContact CG-CD1 3.85Å
252	V	96.2	Very high	93.2	Very high	9 Å²	9	14.6 Å²	14.6	6%	0.055	7%	0.071	C	C	.	.	H	α-helix	trans	-61.2	-51.1	173.6	168.7	0	0	0	0	110.4	I248 V249 S254 S255 I256 V288 Y290	I248-V252 PolarHBondContact O-N 3.09Å; I248-V252 VanDerWaalsContact O-N 3.11Å; V249-V252 WeakPolarHBondContact O-CB 3.45Å; V249-V252 PolarHBondContact O-N 3.37Å; V249-V252 VanDerWaalsContact O-N 3.16Å; V252-S254 PolarHBondContact O-N 2.92Å; V252-S255 WeakPolarHBondContact O-CB 3.35Å; V252-S255 PolarHBondContact O-N 2.92Å; V252-S255 VanDerWaalsContact O-N 3.1Å; V252-I256 HydrophobicContact CG1-CD1 3.73Å; V252-I256 WeakPolarHBondContact O-CG1 3.47Å; V252-I256 PolarHBondContact O-N 3.42Å; V252-V288 HydrophobicContact CG1-CB 3.95Å; V252-V288 HydrophobicContact CG1-CG1 4.11Å; V252-V288 HydrophobicContact CG1-CG2 3.96Å; V252-Y290 HydrophobicContact CG2-CD2 4.5Å; V252-Y290 HydrophobicContact CG2-CG 4.37Å
253	V	96.1	Very high	92.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.1	-46.3	179.7	173.9	0	0	0	0	110.5	Y40 F156 F187 V249 S255 I256 T257	Y40-V253 WeakPolarHBondContact OH-CG1 3.27Å; F156-V253 HydrophobicContact CE1-CB 4.41Å; F156-V253 HydrophobicContact CE1-CG1 3.77Å; F156-V253 HydrophobicContact CE1-CG2 3.73Å; F156-V253 HydrophobicContact CZ-CG1 3.73Å; F187-V253 HydrophobicContact CD1-CG2 3.6Å; F187-V253 HydrophobicContact CD2-CG2 4.31Å; F187-V253 HydrophobicContact CE1-CB 4.35Å; F187-V253 HydrophobicContact CE1-CG2 3.65Å; F187-V253 HydrophobicContact CE2-CG1 4.25Å; F187-V253 HydrophobicContact CE2-CG2 4.36Å; F187-V253 HydrophobicContact CG-CG2 3.93Å; F187-V253 HydrophobicContact CZ-CB 4.36Å; F187-V253 HydrophobicContact CZ-CG1 4.27Å; F187-V253 HydrophobicContact CZ-CG2 4.03Å; V249-V253 HydrophobicContact CG1-CG2 4.02Å; V249-V253 WeakPolarHBondContact O-CB 3.22Å; V249-V253 WeakPolarHBondContact O-CG2 3.4Å; V249-V253 PolarHBondContact O-N 3.34Å; V253-S255 VanDerWaalsContact C-N 3.25Å; V253-S255 PolarHBondContact O-N 2.92Å; V253-I256 PolarHBondContact O-N 3.33Å; V253-T257 HydrophobicContact CG1-CG2 4.47Å; V253-T257 WeakPolarHBondContact O-CG2 3.46Å; V253-T257 PolarHBondContact O-N 3.42Å; V253-T257 PolarHBondContact O-OG1 2.96Å; V253-T257 VanDerWaalsContact O-OG1 3.06Å
254	S	95	Very high	91.1	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-57.6	-39.8	175.6	170.1	0	0	0	0	112.2	E43 A250 V252 T257 A258 R261 R338	E43-S254 PolarHBondContact OE1-OG 3.21Å; E43-S254 PolarHBondContact OE2-OG 3.48Å; A250-S254 VanDerWaalsContact O-CB 3.3Å; A250-S254 WeakPolarHBondContact O-CB 3.41Å; A250-S254 PolarHBondContact O-N 3.46Å; V252-S254 PolarHBondContact O-N 2.92Å; S254-T257 PolarHBondContact O-OG1 3.27Å; S254-A258 WeakPolarHBondContact O-CA 3.46Å; S254-A258 WeakPolarHBondContact O-CB 3.2Å; S254-A258 PolarHBondContact O-N 3.38Å; S254-R261 PolarHBondContact O-NH2 2.88Å; S254-R261 PolarHBondContact OG-NH2 2.87Å; S254-R338 PolarHBondContact O-NH1 2.6Å; S254-R338 VanDerWaalsContact O-NH1 3.14Å; S254-R338 PolarHBondContact OG-NH1 3.25Å; S254-R338 VanDerWaalsContact OG-NH1 3.11Å
255	S	94.4	Very high	89.8	Confident	4 Å²	4	14.3 Å²	14.3	3%	0.028	9%	0.086	C	C	.	.	H	α-helix	trans	-70	-37.2	179.3	-60.2	0	0	0	0	112.5	Q251 V252 V253 A258 Y290	Q251-S255 WeakPolarHBondContact O-CB 3.35Å; Q251-S255 PolarHBondContact O-N 3.28Å; Q251-S255 PolarHBondContact O-OG 3.47Å; V252-S255 WeakPolarHBondContact O-CB 3.35Å; V252-S255 PolarHBondContact O-N 2.92Å; V252-S255 VanDerWaalsContact O-N 3.1Å; V253-S255 VanDerWaalsContact C-N 3.25Å; V253-S255 PolarHBondContact O-N 2.92Å; S255-A258 WeakPolarHBondContact O-CB 3.41Å; S255-Y290 VanDerWaalsContact OG-CE2 3.3Å; S255-Y290 WeakPolarHBondContact OG-CE2 3.31Å
256	I	93	Very high	88.8	Confident	2 Å²	2	16.8 Å²	16.8	1%	0.01	10%	0.099	C	C	.	.	H	α-helix	trans	-69.7	-38.8	177.1	-70.4	163.4	0	0	0	111.8	F187 F220 V252 V253 F273 V288 L336 V396	F187-I256 HydrophobicContact CE1-CD1 3.59Å; F187-I256 HydrophobicContact CZ-CB 4.05Å; F187-I256 HydrophobicContact CZ-CD1 3.92Å; F187-I256 HydrophobicContact CZ-CG2 3.83Å; F220-I256 HydrophobicContact CD1-CD1 4.45Å; F220-I256 HydrophobicContact CE2-CG2 4.13Å; F220-I256 HydrophobicContact CG-CD1 4.42Å; F220-I256 HydrophobicContact CZ-CG2 4.17Å; V252-I256 HydrophobicContact CG1-CD1 3.73Å; V252-I256 WeakPolarHBondContact O-CG1 3.47Å; V252-I256 PolarHBondContact O-N 3.42Å; V253-I256 PolarHBondContact O-N 3.33Å; I256-F273 HydrophobicContact CG2-CE1 4.48Å; I256-F273 HydrophobicContact CG2-CE2 3.89Å; I256-F273 HydrophobicContact CG2-CZ 3.78Å; I256-V288 HydrophobicContact CD1-CG1 4.28Å; I256-L336 HydrophobicContact CB-CD1 4.26Å; I256-L336 HydrophobicContact CG1-CD1 3.79Å; I256-V396 HydrophobicContact CD1-CG2 3.75Å; I256-V396 HydrophobicContact CG1-CG2 3.82Å
257	T	91.6	Very high	87.8	Confident	2 Å²	2	18.9 Å²	18.9	1%	0.012	11%	0.11	C	C	.	.	H	α-helix	trans	-89.1	-1.3	179	64.4	0	0	0	0	113.6	Y40 V253 S254 S259 L260 R261	Y40-T257 WeakPolarHBondContact OH-CG2 3.41Å; Y40-T257 PolarHBondContact OH-OG1 3.35Å; V253-T257 HydrophobicContact CG1-CG2 4.47Å; V253-T257 WeakPolarHBondContact O-CG2 3.46Å; V253-T257 PolarHBondContact O-N 3.42Å; V253-T257 PolarHBondContact O-OG1 2.96Å; V253-T257 VanDerWaalsContact O-OG1 3.06Å; S254-T257 PolarHBondContact O-OG1 3.27Å; T257-S259 VanDerWaalsContact C-N 3.29Å; T257-S259 PolarHBondContact O-N 3.34Å; T257-L260 WeakPolarHBondContact O-CB 3.36Å; T257-L260 PolarHBondContact O-N 3.03Å; T257-L260 VanDerWaalsContact O-N 3.11Å; T257-R261 PolarHBondContact O-N 3.43Å; T257-R261 PolarHBondContact OG1-NE 3.29Å; T257-R261 PolarHBondContact OG1-NH2 3Å
258	A	90.5	Very high	86.7	Confident	3 Å²	3	17.8 Å²	17.8	3%	0.025	11%	0.106	C	C	.	.	H	α-helix	trans	-57.4	-40.1	-173.8	0	0	0	0	0	112.9	S254 S255 L260 R261 F262	S254-A258 WeakPolarHBondContact O-CA 3.46Å; S254-A258 WeakPolarHBondContact O-CB 3.2Å; S254-A258 PolarHBondContact O-N 3.38Å; S255-A258 WeakPolarHBondContact O-CB 3.41Å; A258-L260 PolarHBondContact O-N 3Å; A258-R261 PolarHBondContact O-N 3.17Å; A258-R261 VanDerWaalsContact O-N 3.12Å; A258-F262 HydrophobicContact CB-CD2 4.33Å; A258-F262 WeakPolarHBondContact O-CB 3.46Å; A258-F262 PolarHBondContact O-N 3.11Å
259	S	85.7	Confident	85.9	Confident	13 Å²	13	18.8 Å²	18.8	9%	0.091	11%	0.112	C	C	.	.	H	α-helix	trans	-69.9	-16.5	-178	50.3	0	0	0	0	114.1	T257 V268	T257-S259 VanDerWaalsContact C-N 3.29Å; T257-S259 PolarHBondContact O-N 3.34Å; S259-V268 VanDerWaalsContact CB-O 3.31Å; S259-V268 WeakPolarHBondContact CB-O 3.35Å; S259-V268 PolarHBondContact OG-O 2.96Å
260	L	84.8	Confident	85	Confident	13 Å²	13	18.4 Å²	18.4	7%	0.068	11%	0.109	C	C	.	.	H	α-helix	trans	-86.6	-28.7	171.9	-58.4	177.7	0	0	0	111.9	R18 V20 S69 T257 A258 L270	R18-L260 HydrophobicContact CB-CD2 4.27Å; V20-L260 HydrophobicContact CG2-CD1 3.8Å; S69-L260 PolarHBondContact OG-O 3.25Å; T257-L260 WeakPolarHBondContact O-CB 3.36Å; T257-L260 PolarHBondContact O-N 3.03Å; T257-L260 VanDerWaalsContact O-N 3.11Å; A258-L260 PolarHBondContact O-N 3Å; L260-L270 HydrophobicContact CD1-CD1 4.06Å; L260-L270 HydrophobicContact CD1-CD2 3.59Å; L260-L270 HydrophobicContact CD1-CG 3.75Å; L260-L270 HydrophobicContact CD2-CD2 4.5Å; L260-L270 HydrophobicContact CD2-CG 4.25Å; L260-L270 HydrophobicContact CG-CD2 4.27Å; L260-L270 HydrophobicContact CG-CG 4.46Å
261	R	87.8	Confident	84.3	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-104.9	-17.3	-169.6	-67.3	-177	-54.5	107.2	-3.7	114	E43 H44 S66 H70 S254 T257 A258	E43-R261 IonicContact OE2-CZ 2.69Å; E43-R261 IonicContact OE2-NH1 3.88Å; E43-R261 PolarHBondContact OE2-NH1 2.67Å; E43-R261 IonicContact OE2-NH2 3.43Å; E43-R261 PolarHBondContact OE2-NH2 3.06Å; H44-R261 PolarHBondContact NE2-NH1 2.86Å; H44-R261 VanDerWaalsContact NE2-NH1 3.16Å; S66-R261 WeakPolarHBondContact CB-O 3.28Å; S66-R261 PolarHBondContact OG-O 3.35Å; H70-R261 WeakPolarHBondContact CE1-CG 3.25Å; H70-R261 WeakPolarHBondContact ND1-CD 3.2Å; H70-R261 WeakPolarHBondContact ND1-CG 3.23Å; S254-R261 PolarHBondContact O-NH2 2.88Å; S254-R261 PolarHBondContact OG-NH2 2.87Å; T257-R261 PolarHBondContact O-N 3.43Å; T257-R261 PolarHBondContact OG1-NE 3.29Å; T257-R261 PolarHBondContact OG1-NH2 3Å; A258-R261 PolarHBondContact O-N 3.17Å; A258-R261 VanDerWaalsContact O-N 3.12Å
262	F	84.3	Confident	83.7	Confident	7 Å²	7	23.2 Å²	23.2	3%	0.031	14%	0.136	C	C	.	.	S	Bend	trans	-138.5	146	-178.1	-55.7	-57.7	0	0	0	110.4	E43 H44 A258 Q376	E43-F262 HydrophobicContact CB-CE2 4.48Å; E43-F262 HydrophobicContact CB-CZ 3.73Å; E43-F262 HydrophobicContact CG-CZ 4.43Å; H44-F262 AromaticContact CE1-CE1 3.52Å; H44-F262 AromaticContact CE1-CZ 3.8Å; H44-F262 AromaticContact ND1-CE1 3.91Å; H44-F262 AromaticContact NE2-CE1 3.96Å; H44-F262 AromaticContact NE2-CZ 3.75Å; A258-F262 HydrophobicContact CB-CD2 4.33Å; A258-F262 WeakPolarHBondContact O-CB 3.46Å; A258-F262 PolarHBondContact O-N 3.11Å; F262-Q376 HydrophobicContact CB-CB 4.48Å; F262-Q376 HydrophobicContact CD1-CB 4.48Å; F262-Q376 HydrophobicContact CD2-CB 4.33Å; F262-Q376 VanDerWaalsContact CE1-CD 3.47Å; F262-Q376 HydrophobicContact CG-CB 4.16Å
263	N	73.4	Confident	83.3	Confident	76 Å²	76	22.9 Å²	22.9	41%	0.406	13%	0.134	S	C	.	.			trans	-72	140.8	170.4	-69.6	-42.2	0	0	0	110.4
264	G	69.5	Low	82.8	Confident	21 Å²	21	26.3 Å²	26.3	22%	0.216	15%	0.15	C	C	.	.			trans	-146.1	157.7	179.2	0	0	0	0	0	111.1	I266 N267 I373	G264-I266 PolarHBondContact O-N 2.89Å; G264-N267 PolarHBondContact N-OD1 3.03Å; G264-I373 CarbonylContact C-O 3.6Å; G264-I373 WeakPolarHBondContact CA-O 3.21Å
265	P	69.7	Low	82.4	Confident	88 Å²	88	31 Å²	31	57%	0.571	18%	0.179	S	C	*	.	S	Bend	trans	-58.2	-28.9	172.3	-24.5	34	0	0	0	112.9	I373	P265-I373 VanDerWaalsContact CD-O 3.26Å; P265-I373 WeakPolarHBondContact CD-O 3.27Å; P265-I373 HydrophobicContact CG-CG2 4.33Å
266	I	74.5	Confident	82.1	Confident	56 Å²	56	33.9 Å²	33.9	29%	0.287	19%	0.194	S	C	.	.	B	Isolated β-bridge	trans	-139.1	99.4	-180	-50.7	174.4	0	0	0	108.5	G264 V371 G372 I373	G264-I266 PolarHBondContact O-N 2.89Å; I266-V371 HydrophobicContact CD1-CG1 4.34Å; I266-V371 WeakPolarHBondContact CG2-O 3.4Å; I266-G372 WeakPolarHBondContact O-CA 3.39Å; I266-I373 HydrophobicContact CD1-CD1 4.04Å; I266-I373 HydrophobicContact CD1-CG1 4.29Å; I266-I373 PolarHBondContact O-N 2.97Å
267	N	73.5	Confident	81.9	Confident	53 Å²	53	33.9 Å²	33.9	28%	0.283	19%	0.194	S	C	.	.			trans	-89	138.7	174.4	-69.2	-21.2	0	0	0	110.2	G264	G264-N267 PolarHBondContact N-OD1 3.03Å
268	V	74.9	Confident	81.9	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.006	20%	0.199	C	C	.	.			trans	-106.9	125.9	174.4	-178.2	0	0	0	0	108.1	S259 E272 F273 L336	S259-V268 VanDerWaalsContact CB-O 3.31Å; S259-V268 WeakPolarHBondContact CB-O 3.35Å; S259-V268 PolarHBondContact OG-O 2.96Å; V268-E272 HydrophobicContact CG1-CB 3.75Å; V268-F273 HydrophobicContact CG1-CE1 4.24Å; V268-F273 HydrophobicContact CG1-CE2 4.4Å; V268-F273 HydrophobicContact CG1-CZ 4.11Å; V268-L336 HydrophobicContact CG2-CD2 4.05Å
269	D	78.6	Confident	81.8	Confident	26 Å²	26	36.8 Å²	36.8	14%	0.139	21%	0.212	C	C	.	.			trans	-77.1	159.6	173.8	-170.6	45.4	0	0	0	112.3	Q151 T271 E272	Q151-D269 PolarHBondContact NE2-OD1 2.71Å; Q151-D269 PolarHBondContact OE1-OD1 2.83Å; D269-T271 VanDerWaalsContact C-N 3.27Å; D269-T271 PolarHBondContact O-N 3.01Å; D269-T271 PolarHBondContact OD2-OG1 2.69Å; D269-E272 HydrophobicContact CB-CG 4.17Å; D269-E272 PolarHBondContact N-OE1 3.35Å; D269-E272 VanDerWaalsContact N-OE1 3.11Å; D269-E272 VanDerWaalsContact O-CB 3.3Å; D269-E272 WeakPolarHBondContact O-CB 3.28Å; D269-E272 PolarHBondContact O-N 3.22Å; D269-E272 VanDerWaalsContact O-N 3.08Å
270	L	78.7	Confident	82	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-61.7	-37.8	177.9	-70.2	-168.1	0	0	0	112.6	V20 L185 L260 E272 F273	V20-L270 HydrophobicContact CG1-CD1 4.23Å; V20-L270 HydrophobicContact CG2-CD1 3.56Å; L185-L270 HydrophobicContact CD1-CB 4.04Å; L185-L270 HydrophobicContact CD1-CD1 4.03Å; L185-L270 HydrophobicContact CD1-CD2 3.51Å; L185-L270 HydrophobicContact CD1-CG 4.04Å; L260-L270 HydrophobicContact CD1-CD1 4.06Å; L260-L270 HydrophobicContact CD1-CD2 3.59Å; L260-L270 HydrophobicContact CD1-CG 3.75Å; L260-L270 HydrophobicContact CD2-CD2 4.5Å; L260-L270 HydrophobicContact CD2-CG 4.25Å; L260-L270 HydrophobicContact CG-CD2 4.27Å; L260-L270 HydrophobicContact CG-CG 4.46Å; L270-E272 PolarHBondContact O-N 2.96Å; L270-F273 HydrophobicContact CD2-CD2 4.3Å; L270-F273 HydrophobicContact CD2-CE2 4.16Å; L270-F273 PolarHBondContact O-N 2.91Å
271	T	81.2	Confident	82.3	Confident	68 Å²	68	47.1 Å²	47.1	42%	0.417	26%	0.264	S	S	.	.	H	α-helix	trans	-65.2	-23.7	177.8	63	0	0	0	0	112.3	D269 F273 Q274 T275	D269-T271 VanDerWaalsContact C-N 3.27Å; D269-T271 PolarHBondContact O-N 3.01Å; D269-T271 PolarHBondContact OD2-OG1 2.69Å; T271-F273 VanDerWaalsContact C-N 3.3Å; T271-F273 PolarHBondContact O-N 2.86Å; T271-Q274 PolarHBondContact O-N 3.18Å; T271-T275 PolarHBondContact O-N 3.34Å; T271-T275 VanDerWaalsContact O-N 3.12Å; T271-T275 PolarHBondContact O-OG1 3.15Å
272	E	84.9	Confident	82.5	Confident	45 Å²	45	50.2 Å²	50.2	21%	0.21	28%	0.275	C	S	.	.	H	α-helix	trans	-71.2	-23.7	176.9	-75.3	-175.5	-117.9	0	0	113	V268 D269 L270 Q274 T275 N276 K370	V268-E272 HydrophobicContact CG1-CB 3.75Å; D269-E272 HydrophobicContact CB-CG 4.17Å; D269-E272 PolarHBondContact N-OE1 3.35Å; D269-E272 VanDerWaalsContact N-OE1 3.11Å; D269-E272 VanDerWaalsContact O-CB 3.3Å; D269-E272 WeakPolarHBondContact O-CB 3.28Å; D269-E272 PolarHBondContact O-N 3.22Å; D269-E272 VanDerWaalsContact O-N 3.08Å; L270-E272 PolarHBondContact O-N 2.96Å; E272-Q274 VanDerWaalsContact C-N 3.34Å; E272-T275 WeakPolarHBondContact CA-OG1 3.18Å; E272-N276 WeakPolarHBondContact CB-ND2 3.33Å; E272-N276 WeakPolarHBondContact O-CB 3.42Å; E272-N276 VanDerWaalsContact O-CG 3.28Å; E272-N276 PolarHBondContact O-N 2.74Å; E272-N276 PolarHBondContact O-ND2 3.38Å; E272-K370 WeakPolarHBondContact OE2-CE 3.45Å; E272-K370 IonicContact OE2-NZ 3.97Å; E272-K370 PolarHBondContact OE2-NZ 3.47Å
273	F	86.5	Confident	83	Confident	1 Å²	1	50 Å²	50	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-65.4	-43.1	172.1	-68.7	-63.3	0	0	0	110.7	L185 F220 I256 V268 L270 T271 L277 L336	L185-F273 HydrophobicContact CD1-CD2 4.28Å; F220-F273 HydrophobicContact CZ-CB 4.41Å; F220-F273 HydrophobicContact CZ-CD1 4.42Å; F220-F273 HydrophobicContact CZ-CD2 4.44Å; F220-F273 HydrophobicContact CZ-CG 4.18Å; I256-F273 HydrophobicContact CG2-CE1 4.48Å; I256-F273 HydrophobicContact CG2-CE2 3.89Å; I256-F273 HydrophobicContact CG2-CZ 3.78Å; V268-F273 HydrophobicContact CG1-CE1 4.24Å; V268-F273 HydrophobicContact CG1-CE2 4.4Å; V268-F273 HydrophobicContact CG1-CZ 4.11Å; L270-F273 HydrophobicContact CD2-CD2 4.3Å; L270-F273 HydrophobicContact CD2-CE2 4.16Å; L270-F273 PolarHBondContact O-N 2.91Å; T271-F273 VanDerWaalsContact C-N 3.3Å; T271-F273 PolarHBondContact O-N 2.86Å; F273-L277 HydrophobicContact CB-CD1 4.29Å; F273-L277 HydrophobicContact CD1-CD1 3.77Å; F273-L277 WeakPolarHBondContact O-CB 3.42Å; F273-L277 PolarHBondContact O-N 3.36Å; F273-L336 HydrophobicContact CE1-CD1 4.09Å; F273-L336 HydrophobicContact CZ-CD1 4.03Å
274	Q	86	Confident	84	Confident	72 Å²	72	46.4 Å²	46.4	34%	0.336	26%	0.255	S	S	.	.	H	α-helix	trans	-61.8	-53.9	174.9	-174.9	177.4	26.4	0	0	110.7	D217 T271 E272 N276 V278	D217-Q274 HydrophobicContact CB-CG 4.44Å; D217-Q274 PolarHBondContact OD1-NE2 2.9Å; T271-Q274 PolarHBondContact O-N 3.18Å; E272-Q274 VanDerWaalsContact C-N 3.34Å; Q274-N276 PolarHBondContact O-N 3.07Å; Q274-V278 WeakPolarHBondContact O-CB 3.43Å; Q274-V278 PolarHBondContact O-N 3.3Å; Q274-V278 VanDerWaalsContact O-N 3.09Å
275	T	87	Confident	85.3	Confident	100 Å²	100	45.6 Å²	45.6	61%	0.613	25%	0.246	S	C	*	.	H	α-helix	trans	-69	-29.9	-174.3	59.2	0	0	0	0	114.2	T271 E272	T271-T275 PolarHBondContact O-N 3.34Å; T271-T275 VanDerWaalsContact O-N 3.12Å; T271-T275 PolarHBondContact O-OG1 3.15Å; E272-T275 WeakPolarHBondContact CA-OG1 3.18Å
276	N	87.4	Confident	86.5	Confident	63 Å²	63	41.4 Å²	41.4	34%	0.337	22%	0.219	S	C	.	.	H	α-helix	trans	-96.9	-29.7	-176.5	-61.6	-57	0	0	0	114.1	E272 Q274 A332	E272-N276 WeakPolarHBondContact CB-ND2 3.33Å; E272-N276 WeakPolarHBondContact O-CB 3.42Å; E272-N276 VanDerWaalsContact O-CG 3.28Å; E272-N276 PolarHBondContact O-N 2.74Å; E272-N276 PolarHBondContact O-ND2 3.38Å; Q274-N276 PolarHBondContact O-N 3.07Å; N276-A332 WeakPolarHBondContact O-CB 3.5Å
277	L	89.2	Confident	87.4	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-100	-22.2	-177.6	-62.5	169.7	0	0	0	113.2	F220 F273 P279 P286 A332 C334 V396 N398	F220-L277 HydrophobicContact CE1-CD1 4.47Å; F273-L277 HydrophobicContact CB-CD1 4.29Å; F273-L277 HydrophobicContact CD1-CD1 3.77Å; F273-L277 WeakPolarHBondContact O-CB 3.42Å; F273-L277 PolarHBondContact O-N 3.36Å; L277-P279 VanDerWaalsContact O-CD 3.29Å; L277-P279 WeakPolarHBondContact O-CD 3.42Å; L277-P286 HydrophobicContact CD1-CB 4.45Å; L277-P286 HydrophobicContact CD1-CG 4.3Å; L277-A332 HydrophobicContact CD2-CB 4.17Å; L277-C334 HydrophobicContact CD1-CB 4.45Å; L277-C334 HydrophobicContact CD2-CB 3.94Å; L277-C334 HydrophobicContact CG-CB 4.45Å; L277-V396 HydrophobicContact CD1-CB 4.15Å; L277-V396 HydrophobicContact CD1-CG1 3.44Å; L277-V396 VanDerWaalsContact CD1-CG1 3.44Å; L277-V396 WeakPolarHBondContact CD2-O 3.21Å; L277-N398 VanDerWaalsContact O-CB 3.28Å; L277-N398 WeakPolarHBondContact O-CB 3.42Å; L277-N398 PolarHBondContact O-ND2 2.81Å
278	V	90.9	Very high	88.5	Confident	20 Å²	20	36.2 Å²	36.2	12%	0.121	19%	0.192	C	C	.	.			trans	-109.1	97.3	-171.2	-175.3	0	0	0	0	109.6	C218 Q274 Y280 H284	C218-V278 HydrophobicContact CB-CG2 4.49Å; Q274-V278 WeakPolarHBondContact O-CB 3.43Å; Q274-V278 PolarHBondContact O-N 3.3Å; Q274-V278 VanDerWaalsContact O-N 3.09Å; V278-Y280 WeakPolarHBondContact CG1-O 3.43Å; V278-H284 HydrophobicContact CB-CB 4.4Å; V278-H284 HydrophobicContact CG1-CB 3.7Å; V278-H284 HydrophobicContact CG2-CB 3.78Å
279	P	89.5	Confident	89.5	Confident	46 Å²	46	36.2 Å²	36.2	30%	0.299	19%	0.192	S	C	.	.	S	Bend	trans	-71.5	-32.5	-179.3	31.1	-38.4	0	0	0	112.7	L277 I283 I331 W364	L277-P279 VanDerWaalsContact O-CD 3.29Å; L277-P279 WeakPolarHBondContact O-CD 3.42Å; P279-I283 HydrophobicContact CG-CB 4.33Å; P279-I283 HydrophobicContact CG-CG2 4.11Å; P279-I331 HydrophobicContact CB-CG2 4.34Å; P279-I331 HydrophobicContact CG-CG2 3.85Å; P279-W364 HydrophobicContact CB-CH2 3.7Å; P279-W364 HydrophobicContact CB-CZ3 4.29Å; P279-W364 HydrophobicContact CG-CH2 4.29Å
280	Y	90.4	Very high	90.4	Very high	131 Å²	131	35.7 Å²	35.7	51%	0.514	19%	0.188	S	C	.	.	S	Bend	trans	-136.7	144	178.7	-60.9	-74.6	0	0	0	108.8	V278 R282 I283 V453	V278-Y280 WeakPolarHBondContact CG1-O 3.43Å; Y280-R282 PolarHBondContact O-N 2.83Å; Y280-I283 HydrophobicContact CD2-CD1 3.94Å; Y280-I283 PolarHBondContact O-N 3.06Å; Y280-V453 HydrophobicContact CD2-CG2 4.02Å; Y280-V453 HydrophobicContact CE2-CG2 3.79Å
281	P	89.9	Confident	91.3	Very high	112 Å²	112	35.7 Å²	35.7	73%	0.727	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-34.1	-175.3	-30.3	35.8	0	0	0	115.1	H284	P281-H284 PolarHBondContact O-ND1 3.03Å
282	R	93.2	Very high	92	Very high	65 Å²	65	32.8 Å²	32.8	25%	0.245	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-24.1	178.5	-68.9	176.6	66.1	99.3	-0.9	113.8	L213 Y280 H284 D442 L446 D449	L213-R282 HydrophobicContact CD2-CB 4.41Å; Y280-R282 PolarHBondContact O-N 2.83Å; R282-H284 VanDerWaalsContact C-N 3.35Å; R282-H284 PolarHBondContact O-N 3.12Å; R282-D442 IonicContact CZ-OD1 3.78Å; R282-D442 IonicContact NH1-OD1 3.87Å; R282-D442 PolarHBondContact NH1-OD1 3.23Å; R282-D442 PolarHBondContact NH2-O 3.15Å; R282-D442 IonicContact NH2-OD1 2.79Å; R282-D442 PolarHBondContact NH2-OD1 2.75Å; R282-L446 HydrophobicContact CB-CD1 4.2Å; R282-L446 WeakPolarHBondContact O-CD1 3.18Å; R282-D449 WeakPolarHBondContact CD-OD2 3.46Å; R282-D449 IonicContact CZ-OD2 3.75Å; R282-D449 IonicContact NE-OD2 3.85Å; R282-D449 PolarHBondContact NE-OD2 3.31Å
283	I	93.9	Very high	92.5	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.015	16%	0.163	C	C	.	.			trans	-96.2	62.8	-174.5	-56.8	-175.7	0	0	0	109.1	P279 Y280 I331 N398 D449 Y450 V453	P279-I283 HydrophobicContact CG-CB 4.33Å; P279-I283 HydrophobicContact CG-CG2 4.11Å; Y280-I283 HydrophobicContact CD2-CD1 3.94Å; Y280-I283 PolarHBondContact O-N 3.06Å; I283-I331 HydrophobicContact CG2-CD1 4.05Å; I283-N398 PolarHBondContact O-ND2 2.77Å; I283-D449 HydrophobicContact CD1-CB 4.11Å; I283-D449 HydrophobicContact CG1-CB 4.21Å; I283-Y450 HydrophobicContact CB-CE1 4.46Å; I283-Y450 HydrophobicContact CB-CE2 4.37Å; I283-Y450 HydrophobicContact CG1-CD2 4.45Å; I283-Y450 HydrophobicContact CG1-CE2 4.34Å; I283-Y450 HydrophobicContact CG2-CD1 3.85Å; I283-Y450 HydrophobicContact CG2-CE1 3.29Å; I283-Y450 HydrophobicContact CG2-CE2 4Å; I283-Y450 HydrophobicContact CG2-CG 4.43Å; I283-V453 HydrophobicContact CD1-CB 4.29Å; I283-V453 HydrophobicContact CD1-CG2 3.49Å; I283-V453 VanDerWaalsContact CD1-CG2 3.49Å
284	H	94.5	Very high	92.8	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.17	C	C	.	.			trans	-116.7	26.4	-172.6	64.7	-106.3	0	0	0	114.4	A219 V278 P281 R282 P286	A219-H284 PolarHBondContact N-O 3.49Å; V278-H284 HydrophobicContact CB-CB 4.4Å; V278-H284 HydrophobicContact CG1-CB 3.7Å; V278-H284 HydrophobicContact CG2-CB 3.78Å; P281-H284 PolarHBondContact O-ND1 3.03Å; R282-H284 VanDerWaalsContact C-N 3.35Å; R282-H284 PolarHBondContact O-N 3.12Å; H284-P286 WeakPolarHBondContact O-CD 3.47Å
285	F	96.1	Very high	93.1	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.013	16%	0.157	C	C	.	.			trans	-110.6	68.7	-175.6	-60.1	-77	0	0	0	113.2	F159 T209 L213 A219 I221 W406 L446 Y450	F159-F285 HydrophobicContact CZ-CE1 4.48Å; T209-F285 HydrophobicContact CG2-CZ 4.05Å; L213-F285 HydrophobicContact CD2-CE2 3.89Å; L213-F285 HydrophobicContact CD2-CZ 4.09Å; A219-F285 HydrophobicContact CB-CD1 3.77Å; A219-F285 HydrophobicContact CB-CE1 3.98Å; A219-F285 WeakPolarHBondContact O-CA 3.47Å; I221-F285 HydrophobicContact CD1-CB 3.67Å; I221-F285 HydrophobicContact CD1-CD1 3.68Å; I221-F285 HydrophobicContact CD1-CG 4.01Å; I221-F285 HydrophobicContact CG1-CB 4.24Å; I221-F285 HydrophobicContact CG1-CD1 4.23Å; F285-W406 HydrophobicContact CB-CH2 4.33Å; F285-W406 HydrophobicContact CB-CZ2 3.72Å; F285-W406 AromaticContact CD1-CH2 3.95Å; F285-W406 HydrophobicContact CD1-CH2 3.95Å; F285-W406 HydrophobicContact CD1-CZ2 4.14Å; F285-W406 HydrophobicContact CD2-CH2 4.3Å; F285-W406 AromaticContact CD2-CZ2 3.84Å; F285-W406 HydrophobicContact CD2-CZ2 3.84Å; F285-W406 HydrophobicContact CE1-CH2 4.3Å; F285-W406 HydrophobicContact CE2-CZ2 4.49Å; F285-W406 AromaticContact CG-CH2 3.93Å; F285-W406 HydrophobicContact CG-CH2 3.93Å; F285-W406 AromaticContact CG-CZ2 3.63Å; F285-W406 HydrophobicContact CG-CZ2 3.63Å; F285-L446 HydrophobicContact CD2-CD2 4.09Å; F285-L446 HydrophobicContact CE2-CD1 4.35Å; F285-L446 HydrophobicContact CE2-CD2 3.63Å; F285-L446 HydrophobicContact CZ-CD2 4.45Å; F285-Y450 HydrophobicContact CD2-CE2 4.4Å; F285-Y450 PolarHBondContact N-OH 3.36Å
286	P	95.2	Very high	93.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.143	C	C	.	.			trans	-68.9	145.9	177	24.1	-28.8	0	0	0	112.9	C218 A219 F220 I221 L277 H284 V396 C397	C218-P286 WeakPolarHBondContact SG-CG 3.37Å; A219-P286 WeakPolarHBondContact O-CD 3.48Å; F220-P286 HydrophobicContact CD1-CG 3.78Å; F220-P286 HydrophobicContact CE1-CG 3.96Å; I221-P286 PolarHBondContact N-O 3.04Å; I221-P286 VanDerWaalsContact N-O 3.08Å; L277-P286 HydrophobicContact CD1-CB 4.45Å; L277-P286 HydrophobicContact CD1-CG 4.3Å; H284-P286 WeakPolarHBondContact O-CD 3.47Å; P286-V396 HydrophobicContact CB-CG1 3.71Å; P286-V396 HydrophobicContact CG-CG1 4.02Å; P286-C397 CarbonylContact C-O 3.51Å; P286-C397 WeakPolarHBondContact CA-O 3.27Å; P286-C397 WeakPolarHBondContact CB-O 3.32Å
287	V	94.9	Very high	93.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	144.2	173.8	179.4	0	0	0	0	109.4	Q319 V321 C397 T399 I402	V287-Q319 HydrophobicContact CG1-CB 4.31Å; V287-V321 HydrophobicContact CG1-CB 3.96Å; V287-V321 HydrophobicContact CG1-CG2 3.96Å; V287-V321 HydrophobicContact CG2-CB 4.36Å; V287-V321 HydrophobicContact CG2-CG2 4.27Å; V287-C397 PolarHBondContact N-O 2.75Å; V287-C397 PolarHBondContact O-N 2.79Å; V287-T399 HydrophobicContact CB-CG2 4.49Å; V287-T399 HydrophobicContact CG2-CG2 4.12Å; V287-I402 HydrophobicContact CG2-CD1 3.78Å; V287-I402 HydrophobicContact CG2-CG1 4.42Å
288	V	95.8	Very high	93.2	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	148.7	-179.1	-58.1	0	0	0	0	112.2	F220 S222 V252 I256 A320 M395 V396	F220-V288 HydrophobicContact CB-CG1 4.07Å; F220-V288 HydrophobicContact CD1-CG1 4.34Å; S222-V288 VanDerWaalsContact OG-CG2 3.28Å; S222-V288 WeakPolarHBondContact OG-CG2 3.15Å; V252-V288 HydrophobicContact CG1-CB 3.95Å; V252-V288 HydrophobicContact CG1-CG1 4.11Å; V252-V288 HydrophobicContact CG1-CG2 3.96Å; I256-V288 HydrophobicContact CD1-CG1 4.28Å; V288-A320 HydrophobicContact CG2-CB 3.49Å; V288-A320 VanDerWaalsContact CG2-CB 3.49Å; V288-A320 WeakPolarHBondContact O-CB 3.18Å; V288-A320 PolarHBondContact O-N 2.97Å; V288-M395 CarbonylContact C-O 3.49Å; V288-M395 WeakPolarHBondContact CA-O 3.33Å; V288-V396 HydrophobicContact CG1-CG2 4.3Å
289	S	96.6	Very high	93	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.007	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	144.4	170.2	-176.9	0	0	0	0	109.5	C313 S318 C394 M395	S289-C313 WeakPolarHBondContact OG-CA 2.99Å; S289-C313 PolarHBondContact OG-O 3.33Å; S289-S318 WeakPolarHBondContact CB-O 3.49Å; S289-S318 WeakPolarHBondContact OG-CB 3.44Å; S289-S318 PolarHBondContact OG-O 2.95Å; S289-C394 CarbonylContact O-C 3.59Å; S289-C394 WeakPolarHBondContact O-CA 3.18Å; S289-M395 PolarHBondContact N-O 2.66Å; S289-M395 PolarHBondContact O-N 2.81Å
290	Y	97.2	Very high	92.8	Very high	14 Å²	14	39.5 Å²	39.5	6%	0.055	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	133.4	-178.3	-172.6	-99.5	0	0	0	110.9	Q251 V252 S255 I293 P378 A392 C394	Q251-Y290 HydrophobicContact CB-CE1 4.11Å; Q251-Y290 HydrophobicContact CB-CE2 4.42Å; V252-Y290 HydrophobicContact CG2-CD2 4.5Å; V252-Y290 HydrophobicContact CG2-CG 4.37Å; S255-Y290 VanDerWaalsContact OG-CE2 3.3Å; S255-Y290 WeakPolarHBondContact OG-CE2 3.31Å; Y290-I293 HydrophobicContact CD1-CD1 4.46Å; Y290-I293 HydrophobicContact CD1-CG1 3.84Å; Y290-P378 WeakPolarHBondContact OH-CB 3.49Å; Y290-P378 VanDerWaalsContact OH-CG 3.29Å; Y290-P378 WeakPolarHBondContact OH-CG 3.49Å; Y290-A392 HydrophobicContact CE2-CB 4.17Å; Y290-A392 WeakPolarHBondContact OH-CB 3.27Å; Y290-C394 HydrophobicContact CD2-CB 3.92Å; Y290-C394 HydrophobicContact CE2-CB 4.44Å
291	A	97.1	Very high	92.6	Very high	2 Å²	2	40.7 Å²	40.7	2%	0.017	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	143.3	177.8	0	0	0	0	0	112.3	I309 M312 A392 V393	A291-I309 HydrophobicContact CB-CB 4.37Å; A291-I309 WeakPolarHBondContact CB-O 3.35Å; A291-M312 HydrophobicContact CB-CB 3.76Å; A291-M312 HydrophobicContact CB-SD 4.49Å; A291-A392 CarbonylContact O-C 3.54Å; A291-A392 VanDerWaalsContact O-CA 3.27Å; A291-A392 WeakPolarHBondContact O-CA 3.43Å; A291-A392 WeakPolarHBondContact O-CB 3.28Å; A291-V393 HydrophobicContact CB-CG1 4.28Å; A291-V393 PolarHBondContact N-O 2.86Å; A291-V393 PolarHBondContact O-N 2.79Å
292	P	95.7	Very high	92.1	Very high	7 Å²	7	40.4 Å²	40.4	5%	0.045	20%	0.195	C	C	.	.			cis	-83.6	145.4	-2.9	35.1	-34.1	0	0	0	111.8	I294 L304 I309 M312 V389	P292-I294 HydrophobicContact CB-CD1 4.16Å; P292-I294 HydrophobicContact CB-CG1 4.13Å; P292-I294 HydrophobicContact CB-CG2 4.09Å; P292-I294 HydrophobicContact CG-CD1 4.18Å; P292-I294 HydrophobicContact CG-CG1 4.33Å; P292-L304 HydrophobicContact CB-CD1 3.48Å; P292-L304 VanDerWaalsContact CB-CD1 3.48Å; P292-L304 HydrophobicContact CG-CD1 3.96Å; P292-I309 HydrophobicContact CB-CG2 4.4Å; P292-I309 HydrophobicContact CG-CG2 4.28Å; P292-M312 HydrophobicContact CB-SD 4.49Å; P292-V389 HydrophobicContact CG-CB 4.44Å; P292-V389 HydrophobicContact CG-CG1 3.96Å
293	I	94.8	Very high	91.7	Very high	9 Å²	9	46.4 Å²	46.4	5%	0.046	22%	0.223	C	C	.	.			trans	-104.2	105.1	161	-63.7	170.5	0	0	0	104.8	L230 N234 L235 I248 Y290 L386	L230-I293 HydrophobicContact CB-CD1 4.49Å; L230-I293 HydrophobicContact CD1-CD1 4.22Å; L230-I293 HydrophobicContact CD2-CD1 4.2Å; N234-I293 HydrophobicContact CB-CB 4.3Å; N234-I293 HydrophobicContact CB-CG2 3.84Å; N234-I293 VanDerWaalsContact CB-O 3.32Å; N234-I293 WeakPolarHBondContact CB-O 3.34Å; L235-I293 HydrophobicContact CD1-CG2 4.28Å; L235-I293 HydrophobicContact CD2-CG2 3.66Å; L235-I293 HydrophobicContact CG-CG2 3.83Å; I248-I293 HydrophobicContact CD1-CD1 4.33Å; I248-I293 HydrophobicContact CD1-CG1 4.44Å; I248-I293 HydrophobicContact CD1-CG2 4.06Å; I248-I293 HydrophobicContact CG2-CD1 4.03Å; Y290-I293 HydrophobicContact CD1-CD1 4.46Å; Y290-I293 HydrophobicContact CD1-CG1 3.84Å; I293-L386 HydrophobicContact CG2-CD2 4.28Å
294	I	94	Very high	91.6	Very high	29 Å²	29	47.2 Å²	47.2	15%	0.149	23%	0.228	C	C	.	.			trans	-145	150.7	-174.6	55.8	175.1	0	0	0	111.4	P292 A299 L304 A387 V389	P292-I294 HydrophobicContact CB-CD1 4.16Å; P292-I294 HydrophobicContact CB-CG1 4.13Å; P292-I294 HydrophobicContact CB-CG2 4.09Å; P292-I294 HydrophobicContact CG-CD1 4.18Å; P292-I294 HydrophobicContact CG-CG1 4.33Å; I294-A299 HydrophobicContact CD1-CB 3.65Å; I294-A299 HydrophobicContact CG1-CB 4.3Å; I294-L304 HydrophobicContact CD1-CD1 4.17Å; I294-A387 HydrophobicContact CG1-CB 4.16Å; I294-A387 PolarHBondContact O-N 3.2Å; I294-V389 HydrophobicContact CD1-CG1 4.1Å; I294-V389 HydrophobicContact CG1-CG1 4.27Å
295	T	92.9	Very high	91.7	Very high	11 Å²	11	50.2 Å²	50.2	7%	0.067	25%	0.246	C	C	.	.			trans	-74.9	158.5	173	57.6	0	0	0	0	112.2	L235 D236 S297 K298 A299	L235-T295 VanDerWaalsContact C-CG2 3.4Å; L235-T295 VanDerWaalsContact CA-CG2 3.45Å; L235-T295 HydrophobicContact CB-CG2 4.38Å; L235-T295 HydrophobicContact CD2-CG2 4.47Å; L235-T295 VanDerWaalsContact O-CG2 3.26Å; L235-T295 WeakPolarHBondContact O-CG2 3.29Å; D236-T295 HydrophobicContact CB-CG2 4.47Å; T295-S297 VanDerWaalsContact C-N 3.26Å; T295-S297 PolarHBondContact O-N 2.94Å; T295-S297 PolarHBondContact OG1-OG 2.86Å; T295-S297 VanDerWaalsContact OG1-OG 3.11Å; T295-K298 PolarHBondContact O-N 2.9Å; T295-K298 WeakPolarHBondContact OG1-CD 3.46Å; T295-K298 VanDerWaalsContact OG1-CG 3.31Å; T295-K298 WeakPolarHBondContact OG1-CG 3.4Å; T295-K298 PolarHBondContact OG1-N 3.5Å; T295-A299 PolarHBondContact O-N 3.24Å
296	E	87.4	Confident	91.7	Very high	70 Å²	70	50.1 Å²	50.1	33%	0.327	25%	0.245	S	C	.	.	H	α-helix	trans	-58.2	-37	176.5	-172.2	174.5	168.7	0	0	112.8	R300 R380	E296-R300 WeakPolarHBondContact O-CG 3.39Å; E296-R300 PolarHBondContact O-N 2.88Å; E296-R300 IonicContact OE1-CZ 3.6Å; E296-R300 IonicContact OE1-NE 3.8Å; E296-R300 IonicContact OE1-NH2 3.67Å; E296-R300 PolarHBondContact OE1-NH2 3.4Å; E296-R380 IonicContact OE2-CZ 3.89Å; E296-R380 IonicContact OE2-NH1 2.68Å; E296-R380 IonicContact OE2-NH2 3.15Å; E296-R380 PolarHBondContact OE2-NH2 3.3Å
297	S	87.8	Confident	91.8	Very high	74 Å²	74	54.5 Å²	54.5	52%	0.517	27%	0.265	S	S	.	.	H	α-helix	trans	-65.3	-43	177.6	55.9	0	0	0	0	112.1	T295	T295-S297 VanDerWaalsContact C-N 3.26Å; T295-S297 PolarHBondContact O-N 2.94Å; T295-S297 PolarHBondContact OG1-OG 2.86Å; T295-S297 VanDerWaalsContact OG1-OG 3.11Å
298	K	88.6	Confident	91.8	Very high	79 Å²	79	57.5 Å²	57.5	34%	0.343	28%	0.279	S	S	.	.	H	α-helix	trans	-68.9	-40.2	178.3	-69.6	173.4	-170.9	164.1	0	111.7	N234 D236 T295 R300 L301 E302	N234-K298 PolarHBondContact O-NZ 2.92Å; D236-K298 IonicContact OD1-NZ 2.77Å; D236-K298 PolarHBondContact OD1-NZ 3.42Å; D236-K298 WeakPolarHBondContact OD2-CE 3.49Å; D236-K298 IonicContact OD2-NZ 2.94Å; D236-K298 PolarHBondContact OD2-NZ 2.99Å; T295-K298 PolarHBondContact O-N 2.9Å; T295-K298 WeakPolarHBondContact OG1-CD 3.46Å; T295-K298 VanDerWaalsContact OG1-CG 3.31Å; T295-K298 WeakPolarHBondContact OG1-CG 3.4Å; T295-K298 PolarHBondContact OG1-N 3.5Å; K298-R300 VanDerWaalsContact C-N 3.26Å; K298-R300 PolarHBondContact O-N 2.9Å; K298-L301 PolarHBondContact O-N 2.8Å; K298-L301 VanDerWaalsContact O-N 3.11Å; K298-E302 PolarHBondContact O-N 2.93Å
299	A	88	Confident	91.9	Very high	25 Å²	25	57.5 Å²	57.5	21%	0.207	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-26.5	-179.7	0	0	0	0	0	114.1	I294 T295 L301 A387	I294-A299 HydrophobicContact CD1-CB 3.65Å; I294-A299 HydrophobicContact CG1-CB 4.3Å; T295-A299 PolarHBondContact O-N 3.24Å; A299-L301 VanDerWaalsContact C-N 3.3Å; A299-A387 HydrophobicContact CB-CB 3.32Å
300	R	85.8	Confident	92	Very high	193 Å²	193	57.4 Å²	57.4	73%	0.728	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-22.3	175.7	-70.5	175.6	-174.4	-169.6	3.1	113.3	E296 K298	E296-R300 WeakPolarHBondContact O-CG 3.39Å; E296-R300 PolarHBondContact O-N 2.88Å; E296-R300 IonicContact OE1-CZ 3.6Å; E296-R300 IonicContact OE1-NE 3.8Å; E296-R300 IonicContact OE1-NH2 3.67Å; E296-R300 PolarHBondContact OE1-NH2 3.4Å; K298-R300 VanDerWaalsContact C-N 3.26Å; K298-R300 PolarHBondContact O-N 2.9Å
301	L	85.5	Confident	91.9	Very high	155 Å²	155	58.7 Å²	58.7	81%	0.812	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-34.7	-174	-63.6	174.6	0	0	0	112.9	K298 A299	K298-L301 PolarHBondContact O-N 2.8Å; K298-L301 VanDerWaalsContact O-N 3.11Å; A299-L301 VanDerWaalsContact C-N 3.3Å
302	E	79	Confident	91.9	Very high	107 Å²	107	61.1 Å²	61.1	50%	0.5	30%	0.297	S	S	.	.			trans	-136.9	131.4	-176.8	-170.9	179.4	177.4	0	0	111.6	K298 L304 Q308	K298-E302 PolarHBondContact O-N 2.93Å; E302-L304 HydrophobicContact CG-CD2 4.42Å; E302-Q308 PolarHBondContact OE1-NE2 2.82Å
303	K	84.2	Confident	91.9	Very high	190 Å²	190	60.8 Å²	60.8	83%	0.826	30%	0.295	S	S	*	.			trans	-90.1	111.1	168.4	-69.9	-172	178.1	-174.9	0	109.5
304	L	92.6	Very high	91.9	Very high	21 Å²	21	60.9 Å²	60.9	11%	0.11	30%	0.296	C	S	.	.			trans	-74.5	136	179.9	-63.1	171.3	0	0	0	111.6	P292 I294 E302 Q308 I309 M312 R391	P292-L304 HydrophobicContact CB-CD1 3.48Å; P292-L304 VanDerWaalsContact CB-CD1 3.48Å; P292-L304 HydrophobicContact CG-CD1 3.96Å; I294-L304 HydrophobicContact CD1-CD1 4.17Å; E302-L304 HydrophobicContact CG-CD2 4.42Å; L304-Q308 HydrophobicContact CD2-CB 4.39Å; L304-I309 HydrophobicContact CB-CG2 3.74Å; L304-I309 HydrophobicContact CD1-CG2 4.22Å; L304-M312 HydrophobicContact CD1-CE 3.94Å; L304-M312 HydrophobicContact CD1-SD 4.32Å; L304-M312 HydrophobicContact CD2-CE 3.75Å; L304-R391 WeakPolarHBondContact O-CD 3.07Å; L304-R391 PolarHBondContact O-NH1 2.91Å
305	T	95.7	Very high	91.9	Very high	63 Å²	63	64 Å²	64	39%	0.387	31%	0.308	S	S	.	.			trans	-84.4	157.8	175.7	61.3	0	0	0	0	111.6	K307 Q308 I309	T305-K307 PolarHBondContact O-N 3.32Å; T305-Q308 PolarHBondContact O-N 2.69Å; T305-Q308 VanDerWaalsContact OG1-CG 3.31Å; T305-Q308 WeakPolarHBondContact OG1-CG 3.43Å; T305-Q308 PolarHBondContact OG1-N 2.85Å; T305-Q308 PolarHBondContact OG1-OE1 3.27Å; T305-I309 PolarHBondContact O-N 3.4Å
306	T	96.9	Very high	92	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.006	32%	0.315	C	S	.	.	H	α-helix	trans	-50.6	-38.6	172.6	-54.9	0	0	0	0	112.1	I309 T310 Y337 V341 E345 V346	T306-I309 VanDerWaalsContact O-CG1 3.23Å; T306-I309 WeakPolarHBondContact O-CG1 3.24Å; T306-T310 WeakPolarHBondContact O-CB 3.01Å; T306-T310 PolarHBondContact O-N 3.25Å; T306-T310 VanDerWaalsContact O-N 3.17Å; T306-T310 PolarHBondContact O-OG1 2.76Å; T306-Y337 HydrophobicContact CG2-CD1 4.2Å; T306-Y337 HydrophobicContact CG2-CE1 3.69Å; T306-V341 HydrophobicContact CG2-CG1 3.8Å; T306-E345 WeakPolarHBondContact CB-OE2 3.49Å; T306-E345 HydrophobicContact CG2-CB 4.05Å; T306-E345 PolarHBondContact OG1-OE2 2.79Å; T306-V346 HydrophobicContact CG2-CG2 4.15Å
307	K	96.8	Very high	92.2	Very high	93 Å²	93	66 Å²	66	40%	0.404	32%	0.319	S	S	.	.	H	α-helix	trans	-64.3	-52.2	175.5	-173.5	-175.7	177.8	-173.1	0	112	T305 I309 T310 D311 A349 H352	T305-K307 PolarHBondContact O-N 3.32Å; K307-I309 PolarHBondContact O-N 3.11Å; K307-T310 WeakPolarHBondContact O-CB 3.07Å; K307-T310 PolarHBondContact O-N 3.37Å; K307-T310 VanDerWaalsContact O-N 3.16Å; K307-D311 PolarHBondContact O-N 3.34Å; K307-A349 HydrophobicContact CB-CB 4.44Å; K307-H352 WeakPolarHBondContact CE-CD2 3.26Å; K307-H352 VanDerWaalsContact CE-NE2 3.33Å; K307-H352 WeakPolarHBondContact CE-NE2 3.29Å; K307-H352 PolarHBondContact NZ-CE1 3.46Å; K307-H352 PolarHBondContact NZ-ND1 3.12Å
308	Q	96.4	Very high	92.5	Very high	63 Å²	63	63 Å²	63	29%	0.294	30%	0.298	S	S	.	.	H	α-helix	trans	-60.9	-43.3	-178.5	-74.3	166.3	-56.9	0	0	112.6	E302 L304 T305 T310 D311 M312	E302-Q308 PolarHBondContact OE1-NE2 2.82Å; L304-Q308 HydrophobicContact CD2-CB 4.39Å; T305-Q308 PolarHBondContact O-N 2.69Å; T305-Q308 VanDerWaalsContact OG1-CG 3.31Å; T305-Q308 WeakPolarHBondContact OG1-CG 3.43Å; T305-Q308 PolarHBondContact OG1-N 2.85Å; T305-Q308 PolarHBondContact OG1-OE1 3.27Å; Q308-T310 VanDerWaalsContact C-N 3.28Å; Q308-T310 PolarHBondContact O-N 3.13Å; Q308-D311 PolarHBondContact O-N 3.22Å; Q308-M312 VanDerWaalsContact O-CG 3.29Å; Q308-M312 WeakPolarHBondContact O-CG 3.49Å; Q308-M312 PolarHBondContact O-N 3.22Å
309	I	97.2	Very high	92.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-67	-33.3	178.5	64.4	176.4	0	0	0	111.4	A291 P292 L304 T305 T306 K307 M312 C313 Y337 R391 V393	A291-I309 HydrophobicContact CB-CB 4.37Å; A291-I309 WeakPolarHBondContact CB-O 3.35Å; P292-I309 HydrophobicContact CB-CG2 4.4Å; P292-I309 HydrophobicContact CG-CG2 4.28Å; L304-I309 HydrophobicContact CB-CG2 3.74Å; L304-I309 HydrophobicContact CD1-CG2 4.22Å; T305-I309 PolarHBondContact O-N 3.4Å; T306-I309 VanDerWaalsContact O-CG1 3.23Å; T306-I309 WeakPolarHBondContact O-CG1 3.24Å; K307-I309 PolarHBondContact O-N 3.11Å; I309-M312 WeakPolarHBondContact O-CB 3.43Å; I309-M312 PolarHBondContact O-N 3.26Å; I309-C313 PolarHBondContact O-N 3.5Å; I309-Y337 HydrophobicContact CD1-CD1 4.48Å; I309-R391 HydrophobicContact CD1-CB 4.46Å; I309-R391 HydrophobicContact CD1-CG 4.12Å; I309-V393 HydrophobicContact CB-CG1 4Å; I309-V393 HydrophobicContact CD1-CB 4.25Å; I309-V393 HydrophobicContact CD1-CG1 4Å; I309-V393 HydrophobicContact CG1-CB 4.49Å; I309-V393 HydrophobicContact CG1-CG1 3.77Å
310	T	97.5	Very high	93.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67.6	-46.2	175.5	-56.2	0	0	0	0	110.1	T306 K307 Q308 M312 C313 F314 L335 Y337 A349 I353	T306-T310 WeakPolarHBondContact O-CB 3.01Å; T306-T310 PolarHBondContact O-N 3.25Å; T306-T310 VanDerWaalsContact O-N 3.17Å; T306-T310 PolarHBondContact O-OG1 2.76Å; K307-T310 WeakPolarHBondContact O-CB 3.07Å; K307-T310 PolarHBondContact O-N 3.37Å; K307-T310 VanDerWaalsContact O-N 3.16Å; Q308-T310 VanDerWaalsContact C-N 3.28Å; Q308-T310 PolarHBondContact O-N 3.13Å; T310-M312 PolarHBondContact O-N 2.69Å; T310-C313 PolarHBondContact O-N 2.98Å; T310-C313 VanDerWaalsContact O-N 3.09Å; T310-F314 HydrophobicContact CG2-CE2 4.33Å; T310-F314 WeakPolarHBondContact O-CD2 3.46Å; T310-L335 HydrophobicContact CG2-CD1 4.21Å; T310-Y337 PolarHBondContact OG1-OH 2.8Å; T310-A349 HydrophobicContact CG2-CB 4.16Å; T310-I353 HydrophobicContact CG2-CD1 4.38Å; T310-I353 HydrophobicContact CG2-CG1 3.9Å
311	D	96.3	Very high	93.5	Very high	41 Å²	41	49.5 Å²	49.5	22%	0.219	24%	0.242	C	C	.	.	H	α-helix	trans	-58.4	-37	175.7	-67.3	-22.9	0	0	0	112	K307 Q308 C313 F314 H352 I353	K307-D311 PolarHBondContact O-N 3.34Å; Q308-D311 PolarHBondContact O-N 3.22Å; D311-C313 VanDerWaalsContact C-N 3.35Å; D311-C313 PolarHBondContact O-N 2.91Å; D311-F314 PolarHBondContact O-N 2.94Å; D311-H352 IonicContact OD1-CD2 3.24Å; D311-H352 PolarHBondContact OD1-CD2 3.08Å; D311-H352 VanDerWaalsContact OD1-CD2 3.24Å; D311-H352 IonicContact OD1-NE2 3.88Å; D311-H352 IonicContact OD2-CD2 3.57Å; D311-H352 IonicContact OD2-NE2 3.65Å; D311-I353 WeakPolarHBondContact OD1-CD1 3.34Å
312	M	96.2	Very high	93.8	Very high	52 Å²	52	44.8 Å²	44.8	26%	0.256	22%	0.215	S	C	.	.	H	α-helix	trans	-60.5	-41	175.6	-72	173.3	-175.6	0	0	112.3	A291 P292 L304 Q308 I309 T310 F314 K315 S318	A291-M312 HydrophobicContact CB-CB 3.76Å; A291-M312 HydrophobicContact CB-SD 4.49Å; P292-M312 HydrophobicContact CB-SD 4.49Å; L304-M312 HydrophobicContact CD1-CE 3.94Å; L304-M312 HydrophobicContact CD1-SD 4.32Å; L304-M312 HydrophobicContact CD2-CE 3.75Å; Q308-M312 VanDerWaalsContact O-CG 3.29Å; Q308-M312 WeakPolarHBondContact O-CG 3.49Å; Q308-M312 PolarHBondContact O-N 3.22Å; I309-M312 WeakPolarHBondContact O-CB 3.43Å; I309-M312 PolarHBondContact O-N 3.26Å; T310-M312 PolarHBondContact O-N 2.69Å; M312-F314 PolarHBondContact O-N 2.91Å; M312-K315 WeakPolarHBondContact O-CB 3.42Å; M312-K315 PolarHBondContact O-N 3.2Å; M312-K315 VanDerWaalsContact O-N 3.16Å; M312-S318 WeakPolarHBondContact O-CB 3.37Å; M312-S318 PolarHBondContact O-OG 3.32Å
313	C	96.7	Very high	94.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.6	-26	-179.4	-79.7	0	0	0	0	114.1	S289 I309 T310 D311 K315 Q319 M395	S289-C313 WeakPolarHBondContact OG-CA 2.99Å; S289-C313 PolarHBondContact OG-O 3.33Å; I309-C313 PolarHBondContact O-N 3.5Å; T310-C313 PolarHBondContact O-N 2.98Å; T310-C313 VanDerWaalsContact O-N 3.09Å; D311-C313 VanDerWaalsContact C-N 3.35Å; D311-C313 PolarHBondContact O-N 2.91Å; C313-K315 VanDerWaalsContact C-N 3.34Å; C313-Q319 PolarHBondContact O-NE2 2.86Å; C313-M395 HydrophobicContact CB-CB 3.83Å; C313-M395 HydrophobicContact CB-CE 4.29Å; C313-M395 HydrophobicContact CB-SD 4.17Å; C313-M395 WeakPolarHBondContact O-CE 3.31Å
314	F	95.2	Very high	94.6	Very high	12 Å²	12	32.7 Å²	32.7	5%	0.053	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-3	178.9	-77.3	-88.5	0	0	0	113.7	T310 D311 M312 Y330 L335 I353 I359 F361 F369 M395	T310-F314 HydrophobicContact CG2-CE2 4.33Å; T310-F314 WeakPolarHBondContact O-CD2 3.46Å; D311-F314 PolarHBondContact O-N 2.94Å; M312-F314 PolarHBondContact O-N 2.91Å; F314-Y330 HydrophobicContact CD1-CE1 4.26Å; F314-Y330 AromaticContact CD1-CE2 3.96Å; F314-Y330 HydrophobicContact CD1-CE2 3.96Å; F314-Y330 AromaticContact CD1-CZ 3.68Å; F314-Y330 HydrophobicContact CE1-CD1 4.49Å; F314-Y330 HydrophobicContact CE1-CE1 4.1Å; F314-Y330 HydrophobicContact CE1-CE2 4.17Å; F314-Y330 AromaticContact CE1-CZ 3.92Å; F314-L335 HydrophobicContact CE2-CD2 4.33Å; F314-I353 HydrophobicContact CB-CD1 4.35Å; F314-I353 HydrophobicContact CD1-CG2 4.22Å; F314-I353 HydrophobicContact CD2-CD1 3.54Å; F314-I353 HydrophobicContact CD2-CG1 3.99Å; F314-I353 HydrophobicContact CD2-CG2 4.11Å; F314-I353 HydrophobicContact CE1-CG2 3.98Å; F314-I353 HydrophobicContact CE2-CD1 4.09Å; F314-I353 HydrophobicContact CE2-CG1 4.01Å; F314-I353 HydrophobicContact CE2-CG2 3.88Å; F314-I353 HydrophobicContact CG-CD1 4.02Å; F314-I353 HydrophobicContact CG-CG2 4.3Å; F314-I353 HydrophobicContact CZ-CG2 3.82Å; F314-I359 HydrophobicContact CB-CD1 3.67Å; F314-I359 HydrophobicContact CD1-CD1 3.79Å; F314-I359 HydrophobicContact CD1-CG1 4.35Å; F314-I359 HydrophobicContact CD1-CG2 3.79Å; F314-I359 HydrophobicContact CE1-CG2 3.96Å; F314-I359 HydrophobicContact CG-CD1 3.79Å; F314-F361 HydrophobicContact CE1-CZ 4.32Å; F314-F369 HydrophobicContact CE1-CZ 4.5Å; F314-F369 HydrophobicContact CE2-CE1 4.2Å; F314-F369 AromaticContact CZ-CE1 3.62Å; F314-F369 HydrophobicContact CZ-CE1 3.62Å; F314-F369 AromaticContact CZ-CZ 3.86Å; F314-F369 HydrophobicContact CZ-CZ 3.86Å; F314-M395 HydrophobicContact CD1-SD 4.21Å; F314-M395 HydrophobicContact CD2-SD 4Å; F314-M395 HydrophobicContact CE1-SD 3.77Å; F314-M395 HydrophobicContact CE2-SD 3.53Å; F314-M395 VanDerWaalsContact CE2-SD 3.53Å; F314-M395 HydrophobicContact CG-SD 4.31Å; F314-M395 HydrophobicContact CZ-SD 3.38Å; F314-M395 WeakPolarHBondContact CZ-SD 3.22Å
315	K	94.1	Very high	94.5	Very high	94 Å²	94	31.9 Å²	31.9	41%	0.409	16%	0.159	S	C	.	.	S	Bend	trans	-75.3	139.8	176.2	-60.7	-172.6	179.7	-176.2	0	110.7	M312 C313 E317 S318 Q319	M312-K315 WeakPolarHBondContact O-CB 3.42Å; M312-K315 PolarHBondContact O-N 3.2Å; M312-K315 VanDerWaalsContact O-N 3.16Å; C313-K315 VanDerWaalsContact C-N 3.34Å; K315-E317 HydrophobicContact CB-CG 4.22Å; K315-E317 WeakPolarHBondContact CD-OE1 3.27Å; K315-E317 PolarHBondContact O-N 3.35Å; K315-S318 WeakPolarHBondContact O-CB 3.48Å; K315-S318 PolarHBondContact O-N 2.62Å; K315-Q319 PolarHBondContact O-NE2 3.02Å
316	P	93.1	Very high	94.2	Very high	34 Å²	34	36.1 Å²	36.1	22%	0.221	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-54.1	-41	176	-26.7	34.2	0	0	0	112.9	S318 Q319 P325 R326	P316-S318 PolarHBondContact O-N 2.74Å; P316-S318 VanDerWaalsContact O-N 3.17Å; P316-Q319 WeakPolarHBondContact O-CG 3.36Å; P316-Q319 PolarHBondContact O-N 2.52Å; P316-P325 HydrophobicContact CB-CG 4.36Å; P316-P325 HydrophobicContact CG-CG 4.24Å; P316-R326 HydrophobicContact CG-CG 4.13Å
317	E	92.7	Very high	93.8	Very high	89 Å²	89	42.5 Å²	42.5	42%	0.416	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-69.9	-9.1	179.2	65.2	-91.6	-156.2	0	0	114.1	L230 R233 K315	L230-E317 WeakPolarHBondContact CD2-O 3.14Å; R233-E317 PolarHBondContact NH2-O 2.89Å; K315-E317 HydrophobicContact CB-CG 4.22Å; K315-E317 WeakPolarHBondContact CD-OE1 3.27Å; K315-E317 PolarHBondContact O-N 3.35Å
318	S	94.3	Very high	93.6	Very high	10 Å²	10	38.5 Å²	38.5	7%	0.07	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-95.3	-7.1	177	-59.9	0	0	0	0	113.3	S289 M312 K315 P316	S289-S318 WeakPolarHBondContact CB-O 3.49Å; S289-S318 WeakPolarHBondContact OG-CB 3.44Å; S289-S318 PolarHBondContact OG-O 2.95Å; M312-S318 WeakPolarHBondContact O-CB 3.37Å; M312-S318 PolarHBondContact O-OG 3.32Å; K315-S318 WeakPolarHBondContact O-CB 3.48Å; K315-S318 PolarHBondContact O-N 2.62Å; P316-S318 PolarHBondContact O-N 2.74Å; P316-S318 VanDerWaalsContact O-N 3.17Å
319	Q	94.5	Very high	93.4	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.028	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-73	138.5	179.3	-54.8	-46.9	-57.7	0	0	110.1	V287 C313 K315 P316 V321 P325	V287-Q319 HydrophobicContact CG1-CB 4.31Å; C313-Q319 PolarHBondContact O-NE2 2.86Å; K315-Q319 PolarHBondContact O-NE2 3.02Å; P316-Q319 WeakPolarHBondContact O-CG 3.36Å; P316-Q319 PolarHBondContact O-N 2.52Å; Q319-V321 PolarHBondContact O-N 3.18Å; Q319-P325 HydrophobicContact CG-CG 4.05Å
320	A	94.3	Very high	93.2	Very high	7 Å²	7	37.4 Å²	37.4	6%	0.058	18%	0.18	C	C	.	.	S	Bend	trans	-79.6	5.9	174.3	0	0	0	0	0	113	S222 D223 A226 I227 V288	S222-A320 CarbonylContact C-O 3.53Å; S222-A320 VanDerWaalsContact CA-O 3.32Å; S222-A320 WeakPolarHBondContact CA-O 3.41Å; D223-A320 PolarHBondContact N-O 3.49Å; A226-A320 VanDerWaalsContact CB-C 3.47Å; A226-A320 WeakPolarHBondContact CB-O 3.11Å; I227-A320 HydrophobicContact CG1-CB 4.37Å; V288-A320 HydrophobicContact CG2-CB 3.49Å; V288-A320 VanDerWaalsContact CG2-CB 3.49Å; V288-A320 WeakPolarHBondContact O-CB 3.18Å; V288-A320 PolarHBondContact O-N 2.97Å
321	V	93.4	Very high	93	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.012	18%	0.18	C	C	.	.	S	Bend	trans	-130.8	140.4	174.9	179.8	0	0	0	0	109.6	I221 D223 V287 Q319 C323 I402	I221-V321 HydrophobicContact CB-CG2 4.13Å; I221-V321 HydrophobicContact CG2-CG2 3.66Å; I221-V321 WeakPolarHBondContact O-CG2 3.42Å; D223-V321 VanDerWaalsContact OD2-CA 3.24Å; D223-V321 WeakPolarHBondContact OD2-CA 3.22Å; V287-V321 HydrophobicContact CG1-CB 3.96Å; V287-V321 HydrophobicContact CG1-CG2 3.96Å; V287-V321 HydrophobicContact CG2-CB 4.36Å; V287-V321 HydrophobicContact CG2-CG2 4.27Å; Q319-V321 PolarHBondContact O-N 3.18Å; V321-C323 PolarHBondContact O-N 3.43Å; V321-I402 HydrophobicContact CG1-CD1 3.97Å
322	K	91.7	Very high	92.9	Very high	56 Å²	56	36 Å²	36	24%	0.243	17%	0.173	C	C	.	.	S	Bend	trans	-70.9	76.1	171.4	-70	-66.7	-174.2	154.3	0	110.5	P193 D223 E225 A226 D229 R408	P193-K322 HydrophobicContact CG-CB 3.75Å; P193-K322 HydrophobicContact CG-CG 3.94Å; D223-K322 WeakPolarHBondContact OD2-CB 3.31Å; D223-K322 PolarHBondContact OD2-N 2.9Å; E225-K322 HydrophobicContact CB-CG 4.34Å; E225-K322 WeakPolarHBondContact OE1-CE 3.2Å; E225-K322 IonicContact OE1-NZ 2.84Å; E225-K322 PolarHBondContact OE1-NZ 3.38Å; A226-K322 HydrophobicContact CB-CD 4.39Å; A226-K322 HydrophobicContact CB-CG 4.18Å; D229-K322 WeakPolarHBondContact OD2-CE 3.29Å; D229-K322 IonicContact OD2-NZ 3.52Å; D229-K322 PolarHBondContact OD2-NZ 3.46Å; K322-R408 PolarHBondContact O-NH1 2.87Å
323	C	89.7	Confident	92.8	Very high	10 Å²	10	33.5 Å²	33.5	7%	0.068	16%	0.162	C	C	.	.			trans	-143.7	143.6	166.1	58.1	0	0	0	0	108.7	V321 P325 A401 E404	V321-C323 PolarHBondContact O-N 3.43Å; C323-P325 VanDerWaalsContact O-CD 3.3Å; C323-P325 WeakPolarHBondContact O-CD 3.26Å; C323-A401 HydrophobicContact CB-CB 4.41Å; C323-A401 WeakPolarHBondContact CB-O 3.31Å; C323-E404 WeakPolarHBondContact CA-OE2 3.5Å
324	D	90.5	Very high	92.6	Very high	32 Å²	32	33.6 Å²	33.6	17%	0.171	16%	0.162	C	C	.	.			trans	-88.6	109.6	174.3	-172.2	-12.9	0	0	0	110.5	R326 I327 A401 E404	D324-R326 PolarHBondContact O-N 3.2Å; D324-R326 VanDerWaalsContact OD1-CB 3.24Å; D324-R326 WeakPolarHBondContact OD1-CB 3.13Å; D324-R326 VanDerWaalsContact OD1-CG 3.32Å; D324-R326 WeakPolarHBondContact OD1-CG 3.3Å; D324-R326 IonicContact OD1-CZ 3.03Å; D324-R326 PolarHBondContact OD1-N 3.26Å; D324-R326 IonicContact OD1-NE 2.96Å; D324-R326 PolarHBondContact OD1-NE 3.12Å; D324-R326 IonicContact OD1-NH2 3.5Å; D324-R326 IonicContact OD2-CZ 3.9Å; D324-R326 VanDerWaalsContact OD2-CZ 3.26Å; D324-R326 IonicContact OD2-NE 2.91Å; D324-R326 PolarHBondContact OD2-NE 3.49Å; D324-R326 IonicContact OD2-NH2 2.95Å; D324-R326 PolarHBondContact OD2-NH2 3.07Å; D324-I327 HydrophobicContact CB-CD1 3.72Å; D324-I327 HydrophobicContact CB-CG1 3.89Å; D324-I327 PolarHBondContact O-N 3.21Å; D324-A401 WeakPolarHBondContact O-CB 3.35Å; D324-E404 PolarHBondContact N-OE2 3.25Å
325	P	90.4	Very high	92.6	Very high	5 Å²	5	33 Å²	33	3%	0.032	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-61.9	-19.1	-178.8	25.9	-34.2	0	0	0	113.2	P316 Q319 C323 I327 G328 Y330	P316-P325 HydrophobicContact CB-CG 4.36Å; P316-P325 HydrophobicContact CG-CG 4.24Å; Q319-P325 HydrophobicContact CG-CG 4.05Å; C323-P325 VanDerWaalsContact O-CD 3.3Å; C323-P325 WeakPolarHBondContact O-CD 3.26Å; P325-I327 VanDerWaalsContact C-N 3.27Å; P325-I327 PolarHBondContact O-N 3.33Å; P325-G328 PolarHBondContact O-N 2.95Å; P325-Y330 HydrophobicContact CB-CE1 4.46Å; P325-Y330 HydrophobicContact CB-CE2 4.32Å; P325-Y330 VanDerWaalsContact CB-OH 3.26Å; P325-Y330 WeakPolarHBondContact CB-OH 3.46Å
326	R	89.9	Confident	92.7	Very high	151 Å²	151	29 Å²	29	57%	0.57	14%	0.143	S	C	*	.	G	3₁₀ helix	trans	-72.5	-20.9	178.5	-57.4	171.6	-65.8	-172.5	0.5	113.1	P316 D324 G328	P316-R326 HydrophobicContact CG-CG 4.13Å; D324-R326 PolarHBondContact O-N 3.2Å; D324-R326 VanDerWaalsContact OD1-CB 3.24Å; D324-R326 WeakPolarHBondContact OD1-CB 3.13Å; D324-R326 VanDerWaalsContact OD1-CG 3.32Å; D324-R326 WeakPolarHBondContact OD1-CG 3.3Å; D324-R326 IonicContact OD1-CZ 3.03Å; D324-R326 PolarHBondContact OD1-N 3.26Å; D324-R326 IonicContact OD1-NE 2.96Å; D324-R326 PolarHBondContact OD1-NE 3.12Å; D324-R326 IonicContact OD1-NH2 3.5Å; D324-R326 IonicContact OD2-CZ 3.9Å; D324-R326 VanDerWaalsContact OD2-CZ 3.26Å; D324-R326 IonicContact OD2-NE 2.91Å; D324-R326 PolarHBondContact OD2-NE 3.49Å; D324-R326 IonicContact OD2-NH2 2.95Å; D324-R326 PolarHBondContact OD2-NH2 3.07Å; R326-G328 VanDerWaalsContact C-N 3.31Å
327	I	89.2	Confident	92.9	Very high	136 Å²	136	27.5 Å²	27.5	70%	0.697	13%	0.132	S	C	*	.	G	3₁₀ helix	trans	-84.3	-13.7	178.6	-56.3	177.8	0	0	0	110.6	D324 P325	D324-I327 HydrophobicContact CB-CD1 3.72Å; D324-I327 HydrophobicContact CB-CG1 3.89Å; D324-I327 PolarHBondContact O-N 3.21Å; P325-I327 VanDerWaalsContact C-N 3.27Å; P325-I327 PolarHBondContact O-N 3.33Å
328	G	91.3	Very high	92.9	Very high	8 Å²	8	23.3 Å²	23.3	8%	0.082	11%	0.113	C	C	.	.	S	Bend	trans	-113.4	-169.9	177	0	0	0	0	0	113.6	P325 R326 T400	P325-G328 PolarHBondContact O-N 2.95Å; R326-G328 VanDerWaalsContact C-N 3.31Å; G328-T400 VanDerWaalsContact CA-OG1 3.31Å; G328-T400 WeakPolarHBondContact CA-OG1 3.34Å
329	K	92.9	Very high	92.9	Very high	36 Å²	36	23.2 Å²	23.2	16%	0.157	11%	0.113	C	C	.	.			trans	-120.9	139.9	169.3	-65.4	-173.8	176.5	-173.6	0	108.7	N360 V362 T399 T400 E456	K329-N360 CarbonylContact C-O 3.59Å; K329-N360 WeakPolarHBondContact CA-O 3.43Å; K329-N360 HydrophobicContact CG-CB 4.12Å; K329-V362 HydrophobicContact CB-CG1 3.94Å; K329-V362 HydrophobicContact CD-CG1 4.44Å; K329-T399 WeakPolarHBondContact O-CA 3.35Å; K329-T399 PolarHBondContact O-OG1 3.38Å; K329-T400 PolarHBondContact N-OG1 2.96Å; K329-T400 PolarHBondContact O-N 3.37Å; K329-T400 PolarHBondContact O-OG1 3.42Å; K329-E456 IonicContact NZ-OE1 2.82Å; K329-E456 PolarHBondContact NZ-OE1 3.17Å
330	Y	93.8	Very high	92.8	Very high	4 Å²	4	27 Å²	27	2%	0.016	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	126	169.7	-69	-83.3	0	0	0	109.5	F314 P325 C333 I359 N360 F361 V362 M395 C397	F314-Y330 HydrophobicContact CD1-CE1 4.26Å; F314-Y330 AromaticContact CD1-CE2 3.96Å; F314-Y330 HydrophobicContact CD1-CE2 3.96Å; F314-Y330 AromaticContact CD1-CZ 3.68Å; F314-Y330 HydrophobicContact CE1-CD1 4.49Å; F314-Y330 HydrophobicContact CE1-CE1 4.1Å; F314-Y330 HydrophobicContact CE1-CE2 4.17Å; F314-Y330 AromaticContact CE1-CZ 3.92Å; P325-Y330 HydrophobicContact CB-CE1 4.46Å; P325-Y330 HydrophobicContact CB-CE2 4.32Å; P325-Y330 VanDerWaalsContact CB-OH 3.26Å; P325-Y330 WeakPolarHBondContact CB-OH 3.46Å; Y330-C333 VanDerWaalsContact CD1-SG 3.52Å; Y330-I359 HydrophobicContact CD2-CG2 3.81Å; Y330-I359 HydrophobicContact CE2-CG2 3.73Å; Y330-N360 WeakPolarHBondContact CD2-O 3.49Å; Y330-N360 PolarHBondContact N-O 3.34Å; Y330-F361 HydrophobicContact CG-CE1 4.25Å; Y330-F361 HydrophobicContact CG-CZ 4.42Å; Y330-F361 CarbonylContact O-C 3.54Å; Y330-F361 VanDerWaalsContact O-CA 3.28Å; Y330-F361 WeakPolarHBondContact O-CA 3.27Å; Y330-V362 PolarHBondContact O-N 3.13Å; Y330-M395 HydrophobicContact CE1-CE 4.37Å; Y330-C397 HydrophobicContact CD1-CB 3.97Å; Y330-C397 HydrophobicContact CE1-CB 4.14Å
331	I	93.5	Very high	92.8	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-48.2	177.8	-56.8	163.1	0	0	0	109.7	P279 I283 V362 W364 S365 N398 T400 Y450 V453	P279-I331 HydrophobicContact CB-CG2 4.34Å; P279-I331 HydrophobicContact CG-CG2 3.85Å; I283-I331 HydrophobicContact CG2-CD1 4.05Å; I331-V362 HydrophobicContact CG1-CG1 4.13Å; I331-V362 HydrophobicContact CG2-CG2 4.37Å; I331-W364 HydrophobicContact CG2-CH2 3.52Å; I331-W364 HydrophobicContact CG2-CZ2 3.98Å; I331-W364 HydrophobicContact CG2-CZ3 4.47Å; I331-S365 WeakPolarHBondContact O-CB 3.45Å; I331-S365 PolarHBondContact O-OG 2.65Å; I331-S365 VanDerWaalsContact O-OG 3.07Å; I331-N398 HydrophobicContact CB-CB 4.3Å; I331-N398 WeakPolarHBondContact CB-O 3.07Å; I331-N398 HydrophobicContact CD1-CB 4.5Å; I331-N398 PolarHBondContact N-O 3.09Å; I331-T400 HydrophobicContact CD1-CG2 3.99Å; I331-T400 HydrophobicContact CG1-CG2 4.1Å; I331-Y450 HydrophobicContact CD1-CD1 4.27Å; I331-Y450 HydrophobicContact CD1-CE1 4.21Å; I331-V453 HydrophobicContact CD1-CG1 3.55Å; I331-V453 HydrophobicContact CG1-CG1 3.66Å
332	A	92.6	Very high	92.8	Very high	9 Å²	9	30.7 Å²	30.7	7%	0.074	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	143.8	177.1	0	0	0	0	0	110.2	N276 L277 C397 N398	N276-A332 WeakPolarHBondContact O-CB 3.5Å; L277-A332 HydrophobicContact CD2-CB 4.17Å; A332-C397 CarbonylContact O-C 3.58Å; A332-C397 VanDerWaalsContact O-CA 3.22Å; A332-C397 WeakPolarHBondContact O-CA 3.43Å; A332-N398 PolarHBondContact N-O 3.1Å; A332-N398 PolarHBondContact O-N 3Å
333	C	94	Very high	92.9	Very high	1 Å²	1	31 Å²	31	1%	0.007	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.5	177.5	-65.7	0	0	0	0	109.8	Y330 G368 F369 K370 V396 C397	Y330-C333 VanDerWaalsContact CD1-SG 3.52Å; C333-G368 WeakPolarHBondContact CB-O 3.44Å; C333-G368 PolarHBondContact N-O 3.38Å; C333-F369 HydrophobicContact CB-CD1 3.97Å; C333-F369 HydrophobicContact CB-CE1 4.04Å; C333-F369 CarbonylContact O-C 3.03Å; C333-F369 VanDerWaalsContact O-CA 3.24Å; C333-F369 WeakPolarHBondContact O-CA 3.37Å; C333-K370 PolarHBondContact O-N 3Å; C333-V396 CarbonylContact C-O 3.43Å; C333-C397 HydrophobicContact CB-CB 4.4Å
334	C	93.9	Very high	93.2	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.014	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.6	168.9	-169.1	0	0	0	0	108.7	L277 L336 K370 M395 V396	L277-C334 HydrophobicContact CD1-CB 4.45Å; L277-C334 HydrophobicContact CD2-CB 3.94Å; L277-C334 HydrophobicContact CG-CB 4.45Å; C334-L336 VanDerWaalsContact SG-CD2 3.55Å; C334-K370 CarbonylContact C-O 3.49Å; C334-K370 VanDerWaalsContact CA-O 3.32Å; C334-K370 WeakPolarHBondContact CA-O 3.41Å; C334-K370 HydrophobicContact CB-CB 4.35Å; C334-M395 CarbonylContact O-C 3.39Å; C334-M395 WeakPolarHBondContact O-CA 3.46Å; C334-V396 HydrophobicContact CB-CB 4.35Å; C334-V396 PolarHBondContact N-O 3.38Å; C334-V396 PolarHBondContact O-N 3.41Å
335	L	95.4	Very high	93.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	110.2	178.1	-64	173	0	0	0	109.2	T310 F314 Y337 I350 F369 K370 V371 G372 V393 M395	T310-L335 HydrophobicContact CG2-CD1 4.21Å; F314-L335 HydrophobicContact CE2-CD2 4.33Å; L335-Y337 HydrophobicContact CB-CD2 4.26Å; L335-Y337 HydrophobicContact CB-CE2 3.58Å; L335-Y337 HydrophobicContact CD1-CE2 4.3Å; L335-I350 HydrophobicContact CD1-CD1 4.19Å; L335-I350 HydrophobicContact CD1-CG1 3.84Å; L335-F369 HydrophobicContact CD1-CD1 3.67Å; L335-F369 HydrophobicContact CD1-CE1 3.84Å; L335-F369 HydrophobicContact CG-CD1 4.17Å; L335-F369 HydrophobicContact CG-CE1 4.44Å; L335-K370 PolarHBondContact N-O 3.07Å; L335-V371 CarbonylContact O-C 3.48Å; L335-V371 WeakPolarHBondContact O-CA 3.45Å; L335-G372 PolarHBondContact O-N 3.19Å; L335-V393 HydrophobicContact CB-CG2 4.2Å; L335-V393 HydrophobicContact CD2-CG2 4.1Å; L335-M395 HydrophobicContact CD2-CB 3.85Å; L335-M395 HydrophobicContact CD2-CG 3.77Å; L335-M395 HydrophobicContact CD2-SD 4.19Å
336	L	95.5	Very high	93.7	Very high	9 Å²	9	42.6 Å²	42.6	5%	0.047	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	97.8	-177.2	-56.4	177.4	0	0	0	109.4	I256 V268 F273 C334 V393 C394 V396	I256-L336 HydrophobicContact CB-CD1 4.26Å; I256-L336 HydrophobicContact CG1-CD1 3.79Å; V268-L336 HydrophobicContact CG2-CD2 4.05Å; F273-L336 HydrophobicContact CE1-CD1 4.09Å; F273-L336 HydrophobicContact CZ-CD1 4.03Å; C334-L336 VanDerWaalsContact SG-CD2 3.55Å; L336-V393 WeakPolarHBondContact O-CA 3.31Å; L336-C394 HydrophobicContact CB-CB 4.26Å; L336-C394 WeakPolarHBondContact CB-O 3.37Å; L336-C394 PolarHBondContact N-O 2.77Å; L336-C394 PolarHBondContact O-N 2.92Å; L336-V396 HydrophobicContact CD1-CG2 4.4Å
337	Y	96.7	Very high	94	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	142.5	-179.6	-65.9	-88.3	0	0	0	111.8	T306 I309 T310 L335 V341 V346 V371 G372 S374 A392 V393	T306-Y337 HydrophobicContact CG2-CD1 4.2Å; T306-Y337 HydrophobicContact CG2-CE1 3.69Å; I309-Y337 HydrophobicContact CD1-CD1 4.48Å; T310-Y337 PolarHBondContact OG1-OH 2.8Å; L335-Y337 HydrophobicContact CB-CD2 4.26Å; L335-Y337 HydrophobicContact CB-CE2 3.58Å; L335-Y337 HydrophobicContact CD1-CE2 4.3Å; Y337-V341 HydrophobicContact CD1-CG1 3.84Å; Y337-V341 HydrophobicContact CD1-CG2 4.08Å; Y337-V341 HydrophobicContact CG-CG1 3.88Å; Y337-V341 HydrophobicContact CG-CG2 4.46Å; Y337-V346 HydrophobicContact CD1-CG2 4.46Å; Y337-V346 HydrophobicContact CD2-CG1 4.16Å; Y337-V346 HydrophobicContact CD2-CG2 3.81Å; Y337-V346 HydrophobicContact CE1-CG2 4.35Å; Y337-V346 HydrophobicContact CE2-CB 4.14Å; Y337-V346 HydrophobicContact CE2-CG1 3.41Å; Y337-V346 VanDerWaalsContact CE2-CG1 3.41Å; Y337-V346 HydrophobicContact CE2-CG2 3.68Å; Y337-V346 HydrophobicContact CG-CG2 4.2Å; Y337-V371 HydrophobicContact CD2-CG1 4.16Å; Y337-V371 HydrophobicContact CE2-CG1 4.33Å; Y337-G372 PolarHBondContact N-O 3.47Å; Y337-S374 PolarHBondContact O-N 3.01Å; Y337-A392 CarbonylContact C-O 3.48Å; Y337-A392 WeakPolarHBondContact CA-O 3.4Å; Y337-V393 HydrophobicContact CD1-CB 3.64Å; Y337-V393 HydrophobicContact CD1-CG2 3.8Å; Y337-V393 HydrophobicContact CD2-CG2 4.34Å; Y337-V393 HydrophobicContact CE1-CB 3.66Å; Y337-V393 HydrophobicContact CE1-CG1 4.34Å; Y337-V393 HydrophobicContact CE1-CG2 3.62Å; Y337-V393 HydrophobicContact CE2-CG2 4.18Å; Y337-V393 HydrophobicContact CG-CB 4.35Å; Y337-V393 HydrophobicContact CG-CG2 4.17Å
338	R	94.2	Very high	94.3	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	137.2	175.4	-65	-69.6	-62.9	-102.9	-12.1	109.5	E43 S254 S374 Q376 P377 P378 R391 A392	E43-R338 IonicContact OE1-CZ 2.8Å; E43-R338 IonicContact OE1-NH1 3.31Å; E43-R338 IonicContact OE1-NH2 2.7Å; E43-R338 PolarHBondContact OE1-NH2 3.28Å; S254-R338 PolarHBondContact O-NH1 2.6Å; S254-R338 VanDerWaalsContact O-NH1 3.14Å; S254-R338 PolarHBondContact OG-NH1 3.25Å; S254-R338 VanDerWaalsContact OG-NH1 3.11Å; R338-S374 CarbonylContact C-O 3.45Å; R338-S374 WeakPolarHBondContact CA-O 3.22Å; R338-Q376 PolarHBondContact NE-O 2.85Å; R338-P377 PolarHBondContact NH2-O 3.47Å; R338-P378 HydrophobicContact CB-CG 3.88Å; R338-P378 HydrophobicContact CG-CG 4.44Å; R338-R391 CarbonylContact O-C 3.6Å; R338-R391 WeakPolarHBondContact O-CA 3.38Å; R338-A392 PolarHBondContact N-O 2.85Å; R338-A392 PolarHBondContact O-N 2.84Å
339	G	93.2	Very high	94.6	Very high	7 Å²	7	35.7 Å²	35.7	7%	0.072	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.2	-145.2	169.6	0	0	0	0	0	115.3	V341 S374 Q376 S390	G339-V341 VanDerWaalsContact C-N 3.3Å; G339-V341 PolarHBondContact O-N 3.11Å; G339-S374 PolarHBondContact N-O 3.44Å; G339-Q376 PolarHBondContact N-O 3.27Å; G339-S390 WeakPolarHBondContact CA-O 3.43Å
340	D	92.7	Very high	94.7	Very high	86 Å²	86	34.6 Å²	34.6	46%	0.46	18%	0.182	S	C	.	.	S	Bend	trans	-69.8	84.4	178.4	149.2	22.9	0	0	0	109.6	S390 R391	D340-S390 PolarHBondContact N-O 3.22Å; D340-R391 PolarHBondContact O-NE 3.14Å; D340-R391 PolarHBondContact O-NH2 3.35Å; D340-R391 IonicContact OD1-CZ 2.67Å; D340-R391 IonicContact OD1-NH2 3.06Å; D340-R391 PolarHBondContact OD1-NH2 3.11Å; D340-R391 IonicContact OD2-CZ 2.83Å; D340-R391 IonicContact OD2-NE 3.67Å; D340-R391 IonicContact OD2-NH2 3.26Å; D340-R391 PolarHBondContact OD2-NH2 3.14Å
341	V	94	Very high	94.7	Very high	12 Å²	12	39.7 Å²	39.7	7%	0.073	21%	0.207	C	C	.	.			trans	-141.1	127.6	176.2	179.3	0	0	0	0	109.1	T306 Y337 G339 V346 R391	T306-V341 HydrophobicContact CG2-CG1 3.8Å; Y337-V341 HydrophobicContact CD1-CG1 3.84Å; Y337-V341 HydrophobicContact CD1-CG2 4.08Å; Y337-V341 HydrophobicContact CG-CG1 3.88Å; Y337-V341 HydrophobicContact CG-CG2 4.46Å; G339-V341 VanDerWaalsContact C-N 3.3Å; G339-V341 PolarHBondContact O-N 3.11Å; V341-V346 HydrophobicContact CG1-CG2 3.35Å; V341-R391 HydrophobicContact CG2-CB 3.78Å
342	V	93.1	Very high	94.7	Very high	74 Å²	74	41.8 Å²	41.8	45%	0.448	22%	0.216	S	C	.	.			trans	-108.5	144	177.3	-64	0	0	0	0	111.3	R344 E345 V346	V342-R344 PolarHBondContact O-N 3.47Å; V342-E345 HydrophobicContact CG2-CB 4.07Å; V342-E345 HydrophobicContact CG2-CG 3.59Å; V342-E345 WeakPolarHBondContact O-CB 3.42Å; V342-E345 PolarHBondContact O-N 3.09Å; V342-V346 PolarHBondContact O-N 3.28Å
343	T	93.7	Very high	94.8	Very high	63 Å²	63	41.4 Å²	41.4	39%	0.387	21%	0.213	S	C	.	.	H	α-helix	trans	-53.9	-33.6	-175.9	-47.1	0	0	0	0	113.5	E345 V346 N347	T343-E345 PolarHBondContact O-N 3.33Å; T343-V346 PolarHBondContact O-N 3.01Å; T343-N347 PolarHBondContact O-N 3.17Å; T343-N347 PolarHBondContact O-ND2 3.19Å
344	R	96.1	Very high	94.6	Very high	216 Å²	216	46.1 Å²	46.1	82%	0.815	23%	0.233	S	C	*	.	H	α-helix	trans	-61	-42.9	176.5	-177.9	-179.1	176.4	-175.2	-0.7	112.4	V342 A348	V342-R344 PolarHBondContact O-N 3.47Å; R344-A348 PolarHBondContact O-N 3.06Å; R344-A348 VanDerWaalsContact O-N 3.1Å
345	E	96.2	Very high	94.5	Very high	75 Å²	75	52.6 Å²	52.6	35%	0.35	27%	0.267	S	S	.	.	H	α-helix	trans	-70.9	-38.1	179.7	-71.1	177.9	-175	0	0	111.5	T306 V342 T343 A348 A349	T306-E345 WeakPolarHBondContact CB-OE2 3.49Å; T306-E345 HydrophobicContact CG2-CB 4.05Å; T306-E345 PolarHBondContact OG1-OE2 2.79Å; V342-E345 HydrophobicContact CG2-CB 4.07Å; V342-E345 HydrophobicContact CG2-CG 3.59Å; V342-E345 WeakPolarHBondContact O-CB 3.42Å; V342-E345 PolarHBondContact O-N 3.09Å; T343-E345 PolarHBondContact O-N 3.33Å; E345-A348 PolarHBondContact O-N 3.43Å; E345-A349 WeakPolarHBondContact O-CB 3.49Å; E345-A349 PolarHBondContact O-N 3.45Å
346	V	96.2	Very high	94.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60	-48.6	174.6	177.1	0	0	0	0	110.7	T306 Y337 V341 V342 T343 A348 A349 I350 V371 I373	T306-V346 HydrophobicContact CG2-CG2 4.15Å; Y337-V346 HydrophobicContact CD1-CG2 4.46Å; Y337-V346 HydrophobicContact CD2-CG1 4.16Å; Y337-V346 HydrophobicContact CD2-CG2 3.81Å; Y337-V346 HydrophobicContact CE1-CG2 4.35Å; Y337-V346 HydrophobicContact CE2-CB 4.14Å; Y337-V346 HydrophobicContact CE2-CG1 3.41Å; Y337-V346 VanDerWaalsContact CE2-CG1 3.41Å; Y337-V346 HydrophobicContact CE2-CG2 3.68Å; Y337-V346 HydrophobicContact CG-CG2 4.2Å; V341-V346 HydrophobicContact CG1-CG2 3.35Å; V342-V346 PolarHBondContact O-N 3.28Å; T343-V346 PolarHBondContact O-N 3.01Å; V346-A348 VanDerWaalsContact C-N 3.31Å; V346-A348 PolarHBondContact O-N 2.68Å; V346-A349 WeakPolarHBondContact O-CB 3.16Å; V346-A349 PolarHBondContact O-N 2.88Å; V346-A349 VanDerWaalsContact O-N 3.14Å; V346-I350 HydrophobicContact CG1-CD1 3.78Å; V346-I350 HydrophobicContact CG1-CG1 4.39Å; V346-I350 WeakPolarHBondContact O-CG1 3.44Å; V346-I350 PolarHBondContact O-N 2.89Å; V346-V371 HydrophobicContact CG1-CB 4.45Å; V346-V371 HydrophobicContact CG1-CG1 3.76Å; V346-V371 HydrophobicContact CG1-CG2 3.77Å; V346-I373 HydrophobicContact CG2-CD1 4.08Å
347	N	95	Very high	93.8	Very high	89 Å²	89	68.1 Å²	68.1	48%	0.476	33%	0.329	S	S	.	.	H	α-helix	trans	-59.9	-42	177.1	-73.4	-29.6	0	0	0	111.7	T343 I350 Q351	T343-N347 PolarHBondContact O-N 3.17Å; T343-N347 PolarHBondContact O-ND2 3.19Å; N347-I350 PolarHBondContact O-N 3.27Å; N347-Q351 VanDerWaalsContact O-CG 3.27Å; N347-Q351 WeakPolarHBondContact O-CG 3.44Å; N347-Q351 PolarHBondContact O-N 3.26Å
348	A	96.7	Very high	93.2	Very high	61 Å²	61	69.9 Å²	69.9	50%	0.504	35%	0.347	S	S	.	.	H	α-helix	trans	-64.1	-38.7	175.7	0	0	0	0	0	112.6	R344 E345 V346 H352	R344-A348 PolarHBondContact O-N 3.06Å; R344-A348 VanDerWaalsContact O-N 3.1Å; E345-A348 PolarHBondContact O-N 3.43Å; V346-A348 VanDerWaalsContact C-N 3.31Å; V346-A348 PolarHBondContact O-N 2.68Å; A348-H352 WeakPolarHBondContact O-CB 3.35Å; A348-H352 PolarHBondContact O-N 2.72Å
349	A	96.8	Very high	93	Very high	0 Å²	0	71 Å²	71	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-65.3	-45.2	175.4	0	0	0	0	0	111.5	K307 T310 E345 V346 Q351 H352 I353	K307-A349 HydrophobicContact CB-CB 4.44Å; T310-A349 HydrophobicContact CG2-CB 4.16Å; E345-A349 WeakPolarHBondContact O-CB 3.49Å; E345-A349 PolarHBondContact O-N 3.45Å; V346-A349 WeakPolarHBondContact O-CB 3.16Å; V346-A349 PolarHBondContact O-N 2.88Å; V346-A349 VanDerWaalsContact O-N 3.14Å; A349-Q351 PolarHBondContact O-N 3.43Å; A349-H352 WeakPolarHBondContact O-CB 3.19Å; A349-H352 PolarHBondContact O-N 2.73Å; A349-H352 VanDerWaalsContact O-N 3.12Å; A349-I353 WeakPolarHBondContact O-CG1 3.42Å; A349-I353 PolarHBondContact O-N 2.8Å
350	I	95.2	Very high	92.9	Very high	12 Å²	12	74.7 Å²	74.7	6%	0.062	37%	0.371	C	S	.	.	H	α-helix	trans	-62.2	-44.3	177	-68.4	168.3	0	0	0	111.3	L335 V346 N347 H352 I353 K354 F369 V371	L335-I350 HydrophobicContact CD1-CD1 4.19Å; L335-I350 HydrophobicContact CD1-CG1 3.84Å; V346-I350 HydrophobicContact CG1-CD1 3.78Å; V346-I350 HydrophobicContact CG1-CG1 4.39Å; V346-I350 WeakPolarHBondContact O-CG1 3.44Å; V346-I350 PolarHBondContact O-N 2.89Å; N347-I350 PolarHBondContact O-N 3.27Å; I350-H352 PolarHBondContact O-N 2.77Å; I350-I353 PolarHBondContact O-N 3.03Å; I350-K354 HydrophobicContact CG2-CD 4.31Å; I350-K354 WeakPolarHBondContact O-CG 3.38Å; I350-K354 PolarHBondContact O-N 3.29Å; I350-F369 HydrophobicContact CD1-CB 4.26Å; I350-F369 HydrophobicContact CD1-CD1 4.38Å; I350-F369 HydrophobicContact CD1-CG 4.44Å; I350-F369 HydrophobicContact CG1-CD1 4.13Å; I350-F369 HydrophobicContact CG1-CE1 4.45Å; I350-F369 HydrophobicContact CG1-CG 4.41Å; I350-F369 HydrophobicContact CG2-CB 4.34Å; I350-F369 HydrophobicContact CG2-CD1 4.27Å; I350-F369 HydrophobicContact CG2-CD2 3.76Å; I350-F369 HydrophobicContact CG2-CE1 4.5Å; I350-F369 HydrophobicContact CG2-CE2 4.05Å; I350-F369 HydrophobicContact CG2-CG 3.87Å; I350-F369 HydrophobicContact CG2-CZ 4.39Å; I350-V371 HydrophobicContact CD1-CG2 3.53Å
351	Q	93.7	Very high	92.8	Very high	112 Å²	112	72.5 Å²	72.5	52%	0.523	36%	0.357	S	S	.	.	H	α-helix	trans	-61.2	-36.8	175.6	-68.8	-59	-26.3	0	0	111.5	N347 A349 L355	N347-Q351 VanDerWaalsContact O-CG 3.27Å; N347-Q351 WeakPolarHBondContact O-CG 3.44Å; N347-Q351 PolarHBondContact O-N 3.26Å; A349-Q351 PolarHBondContact O-N 3.43Å; Q351-L355 VanDerWaalsContact O-CG 3.32Å; Q351-L355 WeakPolarHBondContact O-CG 3.06Å; Q351-L355 PolarHBondContact O-N 3.11Å
352	H	94.7	Very high	92.6	Very high	46 Å²	46	72.2 Å²	72.2	21%	0.213	36%	0.355	C	S	.	.	H	α-helix	trans	-64.1	-45.9	174.3	-177.2	62.7	0	0	0	112.6	K307 D311 A348 A349 I350 K354 L355 Q356	K307-H352 WeakPolarHBondContact CE-CD2 3.26Å; K307-H352 VanDerWaalsContact CE-NE2 3.33Å; K307-H352 WeakPolarHBondContact CE-NE2 3.29Å; K307-H352 PolarHBondContact NZ-CE1 3.46Å; K307-H352 PolarHBondContact NZ-ND1 3.12Å; D311-H352 IonicContact OD1-CD2 3.24Å; D311-H352 PolarHBondContact OD1-CD2 3.08Å; D311-H352 VanDerWaalsContact OD1-CD2 3.24Å; D311-H352 IonicContact OD1-NE2 3.88Å; D311-H352 IonicContact OD2-CD2 3.57Å; D311-H352 IonicContact OD2-NE2 3.65Å; A348-H352 WeakPolarHBondContact O-CB 3.35Å; A348-H352 PolarHBondContact O-N 2.72Å; A349-H352 WeakPolarHBondContact O-CB 3.19Å; A349-H352 PolarHBondContact O-N 2.73Å; A349-H352 VanDerWaalsContact O-N 3.12Å; I350-H352 PolarHBondContact O-N 2.77Å; H352-K354 VanDerWaalsContact C-N 3.34Å; H352-K354 PolarHBondContact O-N 3.47Å; H352-L355 PolarHBondContact O-N 2.98Å; H352-L355 VanDerWaalsContact O-N 3.13Å; H352-Q356 PolarHBondContact CE1-NE2 3.26Å; H352-Q356 PolarHBondContact NE2-NE2 3.14Å; H352-Q356 PolarHBondContact O-N 3.24Å
353	I	93.8	Very high	92.2	Very high	1 Å²	1	73.8 Å²	73.8	1%	0.005	36%	0.361	C	S	.	.	H	α-helix	trans	-59.5	-44.3	177.5	-69.5	-61.4	0	0	0	111.5	T310 D311 F314 A349 I350 L355 Q356 I359 F369	T310-I353 HydrophobicContact CG2-CD1 4.38Å; T310-I353 HydrophobicContact CG2-CG1 3.9Å; D311-I353 WeakPolarHBondContact OD1-CD1 3.34Å; F314-I353 HydrophobicContact CB-CD1 4.35Å; F314-I353 HydrophobicContact CD1-CG2 4.22Å; F314-I353 HydrophobicContact CD2-CD1 3.54Å; F314-I353 HydrophobicContact CD2-CG1 3.99Å; F314-I353 HydrophobicContact CD2-CG2 4.11Å; F314-I353 HydrophobicContact CE1-CG2 3.98Å; F314-I353 HydrophobicContact CE2-CD1 4.09Å; F314-I353 HydrophobicContact CE2-CG1 4.01Å; F314-I353 HydrophobicContact CE2-CG2 3.88Å; F314-I353 HydrophobicContact CG-CD1 4.02Å; F314-I353 HydrophobicContact CG-CG2 4.3Å; F314-I353 HydrophobicContact CZ-CG2 3.82Å; A349-I353 WeakPolarHBondContact O-CG1 3.42Å; A349-I353 PolarHBondContact O-N 2.8Å; I350-I353 PolarHBondContact O-N 3.03Å; I353-L355 PolarHBondContact O-N 3.3Å; I353-L355 VanDerWaalsContact O-N 3.13Å; I353-Q356 WeakPolarHBondContact O-CB 3.46Å; I353-Q356 PolarHBondContact O-N 3.33Å; I353-Q356 VanDerWaalsContact O-N 3.07Å; I353-I359 HydrophobicContact CD1-CD1 3.99Å; I353-I359 HydrophobicContact CG2-CD1 3.76Å; I353-I359 HydrophobicContact CG2-CG2 4.1Å; I353-F369 HydrophobicContact CB-CZ 4.41Å; I353-F369 HydrophobicContact CG2-CE1 4.42Å; I353-F369 HydrophobicContact CG2-CZ 3.69Å
354	K	90.9	Very high	91.6	Very high	99 Å²	99	75.7 Å²	75.7	43%	0.43	36%	0.362	S	S	.	.	H	α-helix	trans	-60.6	-21.8	177.6	-73.4	-177.4	173.6	-166.7	0	113.8	I350 H352 F369	I350-K354 HydrophobicContact CG2-CD 4.31Å; I350-K354 WeakPolarHBondContact O-CG 3.38Å; I350-K354 PolarHBondContact O-N 3.29Å; H352-K354 VanDerWaalsContact C-N 3.34Å; H352-K354 PolarHBondContact O-N 3.47Å; K354-F369 HydrophobicContact CG-CE2 4.05Å
355	L	91.1	Very high	90.6	Very high	138 Å²	138	66.7 Å²	66.7	72%	0.723	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-7.1	179.2	-67.5	173.8	0	0	0	113.6	Q351 H352 I353 R357	Q351-L355 VanDerWaalsContact O-CG 3.32Å; Q351-L355 WeakPolarHBondContact O-CG 3.06Å; Q351-L355 PolarHBondContact O-N 3.11Å; H352-L355 PolarHBondContact O-N 2.98Å; H352-L355 VanDerWaalsContact O-N 3.13Å; I353-L355 PolarHBondContact O-N 3.3Å; I353-L355 VanDerWaalsContact O-N 3.13Å; L355-R357 PolarHBondContact O-N 3.17Å
356	Q	91.1	Very high	88.6	Confident	83 Å²	83	68.3 Å²	68.3	39%	0.388	35%	0.349	S	S	.	.			trans	-74.5	125.4	-177.3	-71.6	-64.6	-31.4	0	0	111.8	H352 I353 G358 I359	H352-Q356 PolarHBondContact CE1-NE2 3.26Å; H352-Q356 PolarHBondContact NE2-NE2 3.14Å; H352-Q356 PolarHBondContact O-N 3.24Å; I353-Q356 WeakPolarHBondContact O-CB 3.46Å; I353-Q356 PolarHBondContact O-N 3.33Å; I353-Q356 VanDerWaalsContact O-N 3.07Å; Q356-G358 PolarHBondContact O-N 3.21Å; Q356-I359 HydrophobicContact CB-CD1 3.86Å; Q356-I359 HydrophobicContact CB-CG1 4.1Å; Q356-I359 HydrophobicContact CG-CD1 4.26Å; Q356-I359 PolarHBondContact O-N 3.39Å
357	R	84.9	Confident	87	Confident	253 Å²	253	73.7 Å²	73.7	96%	0.955	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	92.5	173.7	-63.1	-177.5	-178.7	-171	-0.6	109	L355	L355-R357 PolarHBondContact O-N 3.17Å
358	G	84.5	Confident	86.2	Confident	38 Å²	38	69.8 Å²	69.8	39%	0.392	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	143.7	-7.5	-178.9	0	0	0	0	0	114.4	Q356	Q356-G358 PolarHBondContact O-N 3.21Å
359	I	89.7	Confident	85.8	Confident	27 Å²	27	68.3 Å²	68.3	14%	0.138	35%	0.345	C	S	.	.			trans	-108.4	99.7	174.3	-56.2	179.2	0	0	0	107.2	F314 Y330 I353 Q356 F361	F314-I359 HydrophobicContact CB-CD1 3.67Å; F314-I359 HydrophobicContact CD1-CD1 3.79Å; F314-I359 HydrophobicContact CD1-CG1 4.35Å; F314-I359 HydrophobicContact CD1-CG2 3.79Å; F314-I359 HydrophobicContact CE1-CG2 3.96Å; F314-I359 HydrophobicContact CG-CD1 3.79Å; Y330-I359 HydrophobicContact CD2-CG2 3.81Å; Y330-I359 HydrophobicContact CE2-CG2 3.73Å; I353-I359 HydrophobicContact CD1-CD1 3.99Å; I353-I359 HydrophobicContact CG2-CD1 3.76Å; I353-I359 HydrophobicContact CG2-CG2 4.1Å; Q356-I359 HydrophobicContact CB-CD1 3.86Å; Q356-I359 HydrophobicContact CB-CG1 4.1Å; Q356-I359 HydrophobicContact CG-CD1 4.26Å; Q356-I359 PolarHBondContact O-N 3.39Å; I359-F361 HydrophobicContact CG2-CD2 4.3Å; I359-F361 HydrophobicContact CG2-CE2 3.5Å; I359-F361 VanDerWaalsContact CG2-CE2 3.5Å; I359-F361 HydrophobicContact CG2-CZ 4.03Å
360	N	90.4	Very high	85.5	Confident	83 Å²	83	71.4 Å²	71.4	44%	0.444	36%	0.358	S	S	.	.			trans	-100.9	130.9	-176	-59.9	-37.5	0	0	0	109.9	K329 Y330	K329-N360 CarbonylContact C-O 3.59Å; K329-N360 WeakPolarHBondContact CA-O 3.43Å; K329-N360 HydrophobicContact CG-CB 4.12Å; Y330-N360 WeakPolarHBondContact CD2-O 3.49Å; Y330-N360 PolarHBondContact N-O 3.34Å
361	F	91.2	Very high	85.4	Confident	41 Å²	41	71.9 Å²	71.9	18%	0.18	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-105.5	159.6	172.9	-71	-94.5	0	0	0	110	F314 Y330 I359 F369	F314-F361 HydrophobicContact CE1-CZ 4.32Å; Y330-F361 HydrophobicContact CG-CE1 4.25Å; Y330-F361 HydrophobicContact CG-CZ 4.42Å; Y330-F361 CarbonylContact O-C 3.54Å; Y330-F361 VanDerWaalsContact O-CA 3.28Å; Y330-F361 WeakPolarHBondContact O-CA 3.27Å; I359-F361 HydrophobicContact CG2-CD2 4.3Å; I359-F361 HydrophobicContact CG2-CE2 3.5Å; I359-F361 VanDerWaalsContact CG2-CE2 3.5Å; I359-F361 HydrophobicContact CG2-CZ 4.03Å; F361-F369 HydrophobicContact CE1-CD2 4.42Å; F361-F369 AromaticContact CE1-CE2 3.77Å; F361-F369 HydrophobicContact CE1-CE2 3.77Å; F361-F369 HydrophobicContact CE1-CZ 4.02Å; F361-F369 AromaticContact CE2-CE2 3.91Å; F361-F369 HydrophobicContact CE2-CE2 3.91Å; F361-F369 HydrophobicContact CE2-CZ 4.08Å; F361-F369 HydrophobicContact CZ-CD2 4.35Å; F361-F369 HydrophobicContact CZ-CE1 4.34Å; F361-F369 AromaticContact CZ-CE2 3.31Å; F361-F369 HydrophobicContact CZ-CE2 3.31Å; F361-F369 AromaticContact CZ-CZ 3.32Å; F361-F369 HydrophobicContact CZ-CZ 3.32Å
362	V	90.2	Very high	85.4	Confident	5 Å²	5	66.8 Å²	66.8	3%	0.03	34%	0.339	C	S	.	.			trans	-70.1	140.1	167.8	-59.4	0	0	0	0	110.4	K329 Y330 I331 W364 S365 V453	K329-V362 HydrophobicContact CB-CG1 3.94Å; K329-V362 HydrophobicContact CD-CG1 4.44Å; Y330-V362 PolarHBondContact O-N 3.13Å; I331-V362 HydrophobicContact CG1-CG1 4.13Å; I331-V362 HydrophobicContact CG2-CG2 4.37Å; V362-W364 VanDerWaalsContact C-N 3.32Å; V362-W364 HydrophobicContact CB-CD2 4.43Å; V362-W364 HydrophobicContact CB-CZ2 4.26Å; V362-W364 HydrophobicContact CG1-CZ2 4.49Å; V362-W364 HydrophobicContact CG2-CD2 3.91Å; V362-W364 HydrophobicContact CG2-CE3 4.29Å; V362-W364 HydrophobicContact CG2-CG 4.47Å; V362-W364 HydrophobicContact CG2-CH2 4.1Å; V362-W364 HydrophobicContact CG2-CZ2 3.71Å; V362-W364 HydrophobicContact CG2-CZ3 4.37Å; V362-W364 PolarHBondContact O-N 2.93Å; V362-S365 VanDerWaalsContact CG2-CB 3.48Å; V362-S365 PolarHBondContact O-N 2.71Å; V362-V453 HydrophobicContact CG1-CG1 4.38Å
363	D	84	Confident	85.2	Confident	107 Å²	107	64.8 Å²	64.8	57%	0.572	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-28.6	-170.6	-58	-50.7	0	0	0	113.6	S365 E456	D363-S365 VanDerWaalsContact C-N 3.28Å; D363-S365 PolarHBondContact O-N 2.79Å; D363-E456 WeakPolarHBondContact OD2-CG 3.19Å
364	W	82.1	Confident	85.1	Confident	104 Å²	104	65 Å²	65	39%	0.394	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-5	-177.7	55.6	-103.5	0	0	0	113.4	P279 I331 V362 P366 V453	P279-W364 HydrophobicContact CB-CH2 3.7Å; P279-W364 HydrophobicContact CB-CZ3 4.29Å; P279-W364 HydrophobicContact CG-CH2 4.29Å; I331-W364 HydrophobicContact CG2-CH2 3.52Å; I331-W364 HydrophobicContact CG2-CZ2 3.98Å; I331-W364 HydrophobicContact CG2-CZ3 4.47Å; V362-W364 VanDerWaalsContact C-N 3.32Å; V362-W364 HydrophobicContact CB-CD2 4.43Å; V362-W364 HydrophobicContact CB-CZ2 4.26Å; V362-W364 HydrophobicContact CG1-CZ2 4.49Å; V362-W364 HydrophobicContact CG2-CD2 3.91Å; V362-W364 HydrophobicContact CG2-CE3 4.29Å; V362-W364 HydrophobicContact CG2-CG 4.47Å; V362-W364 HydrophobicContact CG2-CH2 4.1Å; V362-W364 HydrophobicContact CG2-CZ2 3.71Å; V362-W364 HydrophobicContact CG2-CZ3 4.37Å; V362-W364 PolarHBondContact O-N 2.93Å; W364-P366 VanDerWaalsContact C-CD 3.46Å; W364-P366 WeakPolarHBondContact O-CD 3.33Å; W364-V453 HydrophobicContact CZ2-CG1 3.86Å
365	S	73.8	Confident	85	Confident	26 Å²	26	63.9 Å²	63.9	18%	0.182	34%	0.336	C	S	.	.			trans	-103	82.9	176.7	-172.3	0	0	0	0	110.4	I331 V362 D363 T367	I331-S365 WeakPolarHBondContact O-CB 3.45Å; I331-S365 PolarHBondContact O-OG 2.65Å; I331-S365 VanDerWaalsContact O-OG 3.07Å; V362-S365 VanDerWaalsContact CG2-CB 3.48Å; V362-S365 PolarHBondContact O-N 2.71Å; D363-S365 VanDerWaalsContact C-N 3.28Å; D363-S365 PolarHBondContact O-N 2.79Å; S365-T367 PolarHBondContact O-N 2.97Å
366	P	55.8	Low	84.9	Confident	110 Å²	110	59.4 Å²	59.4	71%	0.714	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-26.8	-173.9	24	-34.6	0	0	0	113.2	W364	W364-P366 VanDerWaalsContact C-CD 3.46Å; W364-P366 WeakPolarHBondContact O-CD 3.33Å
367	T	62	Low	85	Confident	113 Å²	113	58.2 Å²	58.2	69%	0.693	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	58.2	-179	56.9	0	0	0	0	110.4	S365 F369	S365-T367 PolarHBondContact O-N 2.97Å; T367-F369 PolarHBondContact O-N 2.67Å
368	G	76.8	Confident	85.4	Confident	6 Å²	6	46.8 Å²	46.8	6%	0.062	27%	0.27	C	S	.	.			trans	-62.5	4.9	-179.2	0	0	0	0	0	116.2	C333	C333-G368 WeakPolarHBondContact CB-O 3.44Å; C333-G368 PolarHBondContact N-O 3.38Å
369	F	89.5	Confident	85.9	Confident	31 Å²	31	46.8 Å²	46.8	14%	0.136	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.9	178.9	-72.5	-90.4	0	0	0	112	F314 C333 L335 I350 I353 K354 F361 T367	F314-F369 HydrophobicContact CE1-CZ 4.5Å; F314-F369 HydrophobicContact CE2-CE1 4.2Å; F314-F369 AromaticContact CZ-CE1 3.62Å; F314-F369 HydrophobicContact CZ-CE1 3.62Å; F314-F369 AromaticContact CZ-CZ 3.86Å; F314-F369 HydrophobicContact CZ-CZ 3.86Å; C333-F369 HydrophobicContact CB-CD1 3.97Å; C333-F369 HydrophobicContact CB-CE1 4.04Å; C333-F369 CarbonylContact O-C 3.03Å; C333-F369 VanDerWaalsContact O-CA 3.24Å; C333-F369 WeakPolarHBondContact O-CA 3.37Å; L335-F369 HydrophobicContact CD1-CD1 3.67Å; L335-F369 HydrophobicContact CD1-CE1 3.84Å; L335-F369 HydrophobicContact CG-CD1 4.17Å; L335-F369 HydrophobicContact CG-CE1 4.44Å; I350-F369 HydrophobicContact CD1-CB 4.26Å; I350-F369 HydrophobicContact CD1-CD1 4.38Å; I350-F369 HydrophobicContact CD1-CG 4.44Å; I350-F369 HydrophobicContact CG1-CD1 4.13Å; I350-F369 HydrophobicContact CG1-CE1 4.45Å; I350-F369 HydrophobicContact CG1-CG 4.41Å; I350-F369 HydrophobicContact CG2-CB 4.34Å; I350-F369 HydrophobicContact CG2-CD1 4.27Å; I350-F369 HydrophobicContact CG2-CD2 3.76Å; I350-F369 HydrophobicContact CG2-CE1 4.5Å; I350-F369 HydrophobicContact CG2-CE2 4.05Å; I350-F369 HydrophobicContact CG2-CG 3.87Å; I350-F369 HydrophobicContact CG2-CZ 4.39Å; I353-F369 HydrophobicContact CB-CZ 4.41Å; I353-F369 HydrophobicContact CG2-CE1 4.42Å; I353-F369 HydrophobicContact CG2-CZ 3.69Å; K354-F369 HydrophobicContact CG-CE2 4.05Å; F361-F369 HydrophobicContact CE1-CD2 4.42Å; F361-F369 AromaticContact CE1-CE2 3.77Å; F361-F369 HydrophobicContact CE1-CE2 3.77Å; F361-F369 HydrophobicContact CE1-CZ 4.02Å; F361-F369 AromaticContact CE2-CE2 3.91Å; F361-F369 HydrophobicContact CE2-CE2 3.91Å; F361-F369 HydrophobicContact CE2-CZ 4.08Å; F361-F369 HydrophobicContact CZ-CD2 4.35Å; F361-F369 HydrophobicContact CZ-CE1 4.34Å; F361-F369 AromaticContact CZ-CE2 3.31Å; F361-F369 HydrophobicContact CZ-CE2 3.31Å; F361-F369 AromaticContact CZ-CZ 3.32Å; F361-F369 HydrophobicContact CZ-CZ 3.32Å; T367-F369 PolarHBondContact O-N 2.67Å
370	K	91.1	Very high	85.8	Confident	64 Å²	64	48.6 Å²	48.6	28%	0.278	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	143.8	161.2	-175.5	69.1	176.7	-160.5	0	108.8	E272 C333 C334 L335	E272-K370 WeakPolarHBondContact OE2-CE 3.45Å; E272-K370 IonicContact OE2-NZ 3.97Å; E272-K370 PolarHBondContact OE2-NZ 3.47Å; C333-K370 PolarHBondContact O-N 3Å; C334-K370 CarbonylContact C-O 3.49Å; C334-K370 VanDerWaalsContact CA-O 3.32Å; C334-K370 WeakPolarHBondContact CA-O 3.41Å; C334-K370 HydrophobicContact CB-CB 4.35Å; L335-K370 PolarHBondContact N-O 3.07Å
371	V	92.5	Very high	85.9	Confident	23 Å²	23	44.8 Å²	44.8	14%	0.139	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	135	-179.1	175.3	0	0	0	0	109.2	I266 L335 Y337 V346 I350 I373	I266-V371 HydrophobicContact CD1-CG1 4.34Å; I266-V371 WeakPolarHBondContact CG2-O 3.4Å; L335-V371 CarbonylContact O-C 3.48Å; L335-V371 WeakPolarHBondContact O-CA 3.45Å; Y337-V371 HydrophobicContact CD2-CG1 4.16Å; Y337-V371 HydrophobicContact CE2-CG1 4.33Å; V346-V371 HydrophobicContact CG1-CB 4.45Å; V346-V371 HydrophobicContact CG1-CG1 3.76Å; V346-V371 HydrophobicContact CG1-CG2 3.77Å; I350-V371 HydrophobicContact CD1-CG2 3.53Å; V371-I373 HydrophobicContact CG1-CD1 4.24Å; V371-I373 HydrophobicContact CG1-CG1 3.85Å
372	G	92.3	Very high	85.8	Confident	5 Å²	5	47 Å²	47	5%	0.052	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	142.5	163	0	0	0	0	0	109.6	I266 L335 Y337	I266-G372 WeakPolarHBondContact O-CA 3.39Å; L335-G372 PolarHBondContact O-N 3.19Å; Y337-G372 PolarHBondContact N-O 3.47Å
373	I	92.5	Very high	85.5	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.021	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	120.4	177.1	-55.1	177.6	0	0	0	107.7	G264 P265 I266 V346 V371	G264-I373 CarbonylContact C-O 3.6Å; G264-I373 WeakPolarHBondContact CA-O 3.21Å; P265-I373 VanDerWaalsContact CD-O 3.26Å; P265-I373 WeakPolarHBondContact CD-O 3.27Å; P265-I373 HydrophobicContact CG-CG2 4.33Å; I266-I373 HydrophobicContact CD1-CD1 4.04Å; I266-I373 HydrophobicContact CD1-CG1 4.29Å; I266-I373 PolarHBondContact O-N 2.97Å; V346-I373 HydrophobicContact CG2-CD1 4.08Å; V371-I373 HydrophobicContact CG1-CD1 4.24Å; V371-I373 HydrophobicContact CG1-CG1 3.85Å
374	S	90.7	Very high	85.7	Confident	4 Å²	4	50.6 Å²	50.6	3%	0.028	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130.9	169.5	170.8	0	0	0	0	109.7	Y337 R338 G339 Q376	Y337-S374 PolarHBondContact O-N 3.01Å; R338-S374 CarbonylContact C-O 3.45Å; R338-S374 WeakPolarHBondContact CA-O 3.22Å; G339-S374 PolarHBondContact N-O 3.44Å; S374-Q376 PolarHBondContact O-N 3.25Å
375	S	88.5	Confident	86.1	Confident	76 Å²	76	50.1 Å²	50.1	53%	0.531	28%	0.281	S	S	.	.	S	Bend	trans	-67.9	-19	-176.9	-55.5	0	0	0	0	113	P377	S375-P377 WeakPolarHBondContact O-CD 3.46Å
376	Q	89.6	Confident	86.9	Confident	44 Å²	44	49.5 Å²	49.5	21%	0.206	28%	0.275	C	S	.	.	S	Bend	trans	-79.6	120.5	-179.8	-176.4	153.1	-18.9	0	0	110.2	E43 F262 R338 G339 S374	E43-Q376 PolarHBondContact O-NE2 2.91Å; E43-Q376 VanDerWaalsContact O-NE2 3.14Å; F262-Q376 HydrophobicContact CB-CB 4.48Å; F262-Q376 HydrophobicContact CD1-CB 4.48Å; F262-Q376 HydrophobicContact CD2-CB 4.33Å; F262-Q376 VanDerWaalsContact CE1-CD 3.47Å; F262-Q376 HydrophobicContact CG-CB 4.16Å; R338-Q376 PolarHBondContact NE-O 2.85Å; G339-Q376 PolarHBondContact N-O 3.27Å; S374-Q376 PolarHBondContact O-N 3.25Å
377	P	92.9	Very high	88.7	Confident	59 Å²	59	44.7 Å²	44.7	38%	0.383	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-63.4	161.7	173.8	28.1	-34.4	0	0	0	110.8	R338 S375 T379	R338-P377 PolarHBondContact NH2-O 3.47Å; S375-P377 WeakPolarHBondContact O-CD 3.46Å; P377-T379 PolarHBondContact O-N 3.23Å
378	P	93.8	Very high	90	Very high	13 Å²	13	44.2 Å²	44.2	8%	0.084	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-60.9	136.1	172	-18	30.8	0	0	0	110.8	Y290 R338 V389 A392	Y290-P378 WeakPolarHBondContact OH-CB 3.49Å; Y290-P378 VanDerWaalsContact OH-CG 3.29Å; Y290-P378 WeakPolarHBondContact OH-CG 3.49Å; R338-P378 HydrophobicContact CB-CG 3.88Å; R338-P378 HydrophobicContact CG-CG 4.44Å; P378-V389 HydrophobicContact CB-CG2 4.38Å; P378-V389 HydrophobicContact CG-CG2 3.97Å; P378-A392 HydrophobicContact CG-CB 3.44Å; P378-A392 VanDerWaalsContact CG-CB 3.44Å
379	T	93.8	Very high	90.8	Very high	37 Å²	37	45.2 Å²	45.2	23%	0.227	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-85.8	132.7	173.9	-65.8	0	0	0	0	110.2	L39 L42 E43 Q251 P377	L39-T379 HydrophobicContact CD1-CG2 4.4Å; L39-T379 VanDerWaalsContact CD1-O 3.23Å; L39-T379 WeakPolarHBondContact CD1-O 3.49Å; L42-T379 HydrophobicContact CB-CG2 3.82Å; E43-T379 HydrophobicContact CG-CG2 4.36Å; E43-T379 WeakPolarHBondContact CG-OG1 3.23Å; Q251-T379 PolarHBondContact NE2-O 2.87Å; P377-T379 PolarHBondContact O-N 3.23Å
380	R	89.3	Confident	91	Very high	66 Å²	66	47 Å²	47	25%	0.249	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-80.7	133.2	172.2	178.9	-174.6	177.5	-164.3	3	110	E296 L386 D388	E296-R380 IonicContact OE2-CZ 3.89Å; E296-R380 IonicContact OE2-NH1 2.68Å; E296-R380 IonicContact OE2-NH2 3.15Å; E296-R380 PolarHBondContact OE2-NH2 3.3Å; R380-L386 WeakPolarHBondContact CD-O 3.37Å; R380-L386 PolarHBondContact NE-O 3Å; R380-D388 WeakPolarHBondContact CB-OD1 3.39Å; R380-D388 VanDerWaalsContact CD-CG 3.49Å; R380-D388 VanDerWaalsContact CD-OD1 3.23Å; R380-D388 WeakPolarHBondContact CD-OD1 3.3Å; R380-D388 WeakPolarHBondContact CD-OD2 3.5Å; R380-D388 IonicContact NH1-OD2 2.9Å; R380-D388 PolarHBondContact NH1-OD2 2.79Å; R380-D388 VanDerWaalsContact NH1-OD2 3.12Å
381	V	91.4	Very high	91.2	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.018	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-84.8	132.6	165.5	-171.6	0	0	0	0	108.7	E38 L39 L42 E383 S384	E38-V381 HydrophobicContact CG-CG1 4.41Å; E38-V381 WeakPolarHBondContact OE1-CG1 3.26Å; L39-V381 HydrophobicContact CB-CG2 4.31Å; L39-V381 HydrophobicContact CD1-CG2 3.97Å; L42-V381 HydrophobicContact CD1-CB 4.15Å; L42-V381 HydrophobicContact CD1-CG1 3.92Å; L42-V381 HydrophobicContact CD1-CG2 3.97Å; V381-E383 PolarHBondContact O-N 3.16Å; V381-S384 WeakPolarHBondContact O-CB 3.47Å; V381-S384 PolarHBondContact O-N 2.99Å; V381-S384 PolarHBondContact O-OG 3.03Å
382	P	88.3	Confident	91.4	Very high	88 Å²	88	44.6 Å²	44.6	57%	0.571	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49	142.2	172.8	-27.8	35.9	0	0	0	111.7	S384	P382-S384 PolarHBondContact O-N 3.12Å
383	E	85.3	Confident	91.6	Very high	180 Å²	180	44.3 Å²	44.3	84%	0.841	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	7.9	178.3	-54.4	178.9	177.2	0	0	115.7	V381 H385	V381-E383 PolarHBondContact O-N 3.16Å; E383-H385 PolarHBondContact O-CD2 2.88Å; E383-H385 PolarHBondContact O-N 2.83Å; E383-H385 VanDerWaalsContact O-N 3.12Å
384	S	88	Confident	91.8	Very high	6 Å²	6	44.1 Å²	44.1	4%	0.042	24%	0.242	C	C	.	.	S	Bend	trans	-74.5	3.9	-180	63	0	0	0	0	115.9	V381 P382 L386	V381-S384 WeakPolarHBondContact O-CB 3.47Å; V381-S384 PolarHBondContact O-N 2.99Å; V381-S384 PolarHBondContact O-OG 3.03Å; P382-S384 PolarHBondContact O-N 3.12Å; S384-L386 PolarHBondContact O-N 3.42Å
385	H	89.7	Confident	92.1	Very high	95 Å²	95	44 Å²	44	44%	0.44	24%	0.241	S	C	.	.	S	Bend	trans	60.5	-10.8	-171	-64.7	-107.9	0	0	0	116	L235 I237 H244 E383	L235-H385 HydrophobicContact CD1-CB 4.42Å; I237-H385 HydrophobicContact CD1-CB 4.12Å; H244-H385 AromaticContact NE2-NE2 3.94Å; E383-H385 PolarHBondContact O-CD2 2.88Å; E383-H385 PolarHBondContact O-N 2.83Å; E383-H385 VanDerWaalsContact O-N 3.12Å
386	L	91.9	Very high	92.4	Very high	13 Å²	13	40.3 Å²	40.3	7%	0.068	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-75.1	140.7	174.5	-66.4	166.7	0	0	0	110.8	L235 I248 Q251 I293 R380 S384	L235-L386 HydrophobicContact CD1-CD2 4.16Å; L235-L386 HydrophobicContact CD2-CD2 3.9Å; I248-L386 HydrophobicContact CD1-CD1 4.45Å; I248-L386 HydrophobicContact CD1-CD2 3.98Å; Q251-L386 HydrophobicContact CG-CD1 3.85Å; I293-L386 HydrophobicContact CG2-CD2 4.28Å; R380-L386 WeakPolarHBondContact CD-O 3.37Å; R380-L386 PolarHBondContact NE-O 3Å; S384-L386 PolarHBondContact O-N 3.42Å
387	A	91.9	Very high	92.7	Very high	9 Å²	9	38.2 Å²	38.2	7%	0.074	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-75.9	156.1	171.3	0	0	0	0	0	112.6	I294 A299 V389	I294-A387 HydrophobicContact CG1-CB 4.16Å; I294-A387 PolarHBondContact O-N 3.2Å; A299-A387 HydrophobicContact CB-CB 3.32Å; A387-V389 HydrophobicContact CB-CG1 4.42Å; A387-V389 PolarHBondContact O-N 3.32Å
388	D	90.8	Very high	92.7	Very high	103 Å²	103	35.4 Å²	35.4	55%	0.551	19%	0.188	S	C	*	.	P	Polyproline II helix	trans	-67.4	127.7	161.2	-66.3	-59.3	0	0	0	109.6	R380	R380-D388 WeakPolarHBondContact CB-OD1 3.39Å; R380-D388 VanDerWaalsContact CD-CG 3.49Å; R380-D388 VanDerWaalsContact CD-OD1 3.23Å; R380-D388 WeakPolarHBondContact CD-OD1 3.3Å; R380-D388 WeakPolarHBondContact CD-OD2 3.5Å; R380-D388 IonicContact NH1-OD2 2.9Å; R380-D388 PolarHBondContact NH1-OD2 2.79Å; R380-D388 VanDerWaalsContact NH1-OD2 3.12Å
389	V	93.4	Very high	92.8	Very high	27 Å²	27	34.9 Å²	34.9	16%	0.164	18%	0.184	C	C	.	.			trans	-128.4	134.5	-178.9	-62.9	0	0	0	0	110.1	P292 I294 P378 A387 R391 A392	P292-V389 HydrophobicContact CG-CB 4.44Å; P292-V389 HydrophobicContact CG-CG1 3.96Å; I294-V389 HydrophobicContact CD1-CG1 4.1Å; I294-V389 HydrophobicContact CG1-CG1 4.27Å; P378-V389 HydrophobicContact CB-CG2 4.38Å; P378-V389 HydrophobicContact CG-CG2 3.97Å; A387-V389 HydrophobicContact CB-CG1 4.42Å; A387-V389 PolarHBondContact O-N 3.32Å; V389-R391 PolarHBondContact O-N 2.88Å; V389-A392 HydrophobicContact CG2-CB 4.45Å
390	S	93	Very high	92.8	Very high	68 Å²	68	34 Å²	34	48%	0.476	18%	0.178	S	C	.	.	S	Bend	trans	-76.4	-16.3	178.2	64.1	0	0	0	0	112.8	G339 D340	G339-S390 WeakPolarHBondContact CA-O 3.43Å; D340-S390 PolarHBondContact N-O 3.22Å
391	R	95.3	Very high	93.1	Very high	36 Å²	36	31.1 Å²	31.1	14%	0.136	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	148	178.4	61.5	179.2	67.7	111.4	-6	112	L304 I309 R338 D340 V341 V389	L304-R391 WeakPolarHBondContact O-CD 3.07Å; L304-R391 PolarHBondContact O-NH1 2.91Å; I309-R391 HydrophobicContact CD1-CB 4.46Å; I309-R391 HydrophobicContact CD1-CG 4.12Å; R338-R391 CarbonylContact O-C 3.6Å; R338-R391 WeakPolarHBondContact O-CA 3.38Å; D340-R391 PolarHBondContact O-NE 3.14Å; D340-R391 PolarHBondContact O-NH2 3.35Å; D340-R391 IonicContact OD1-CZ 2.67Å; D340-R391 IonicContact OD1-NH2 3.06Å; D340-R391 PolarHBondContact OD1-NH2 3.11Å; D340-R391 IonicContact OD2-CZ 2.83Å; D340-R391 IonicContact OD2-NE 3.67Å; D340-R391 IonicContact OD2-NH2 3.26Å; D340-R391 PolarHBondContact OD2-NH2 3.14Å; V341-R391 HydrophobicContact CG2-CB 3.78Å; V389-R391 PolarHBondContact O-N 2.88Å
392	A	96.7	Very high	93.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	168	170.1	0	0	0	0	0	110.6	Y290 A291 Y337 R338 P378 V389	Y290-A392 HydrophobicContact CE2-CB 4.17Å; Y290-A392 WeakPolarHBondContact OH-CB 3.27Å; A291-A392 CarbonylContact O-C 3.54Å; A291-A392 VanDerWaalsContact O-CA 3.27Å; A291-A392 WeakPolarHBondContact O-CA 3.43Å; A291-A392 WeakPolarHBondContact O-CB 3.28Å; Y337-A392 CarbonylContact C-O 3.48Å; Y337-A392 WeakPolarHBondContact CA-O 3.4Å; R338-A392 PolarHBondContact N-O 2.85Å; R338-A392 PolarHBondContact O-N 2.84Å; P378-A392 HydrophobicContact CG-CB 3.44Å; P378-A392 VanDerWaalsContact CG-CB 3.44Å; V389-A392 HydrophobicContact CG2-CB 4.45Å
393	V	97.4	Very high	93.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	131.3	173.5	60.2	0	0	0	0	109.4	A291 I309 L335 L336 Y337	A291-V393 HydrophobicContact CB-CG1 4.28Å; A291-V393 PolarHBondContact N-O 2.86Å; A291-V393 PolarHBondContact O-N 2.79Å; I309-V393 HydrophobicContact CB-CG1 4Å; I309-V393 HydrophobicContact CD1-CB 4.25Å; I309-V393 HydrophobicContact CD1-CG1 4Å; I309-V393 HydrophobicContact CG1-CB 4.49Å; I309-V393 HydrophobicContact CG1-CG1 3.77Å; L335-V393 HydrophobicContact CB-CG2 4.2Å; L335-V393 HydrophobicContact CD2-CG2 4.1Å; L336-V393 WeakPolarHBondContact O-CA 3.31Å; Y337-V393 HydrophobicContact CD1-CB 3.64Å; Y337-V393 HydrophobicContact CD1-CG2 3.8Å; Y337-V393 HydrophobicContact CD2-CG2 4.34Å; Y337-V393 HydrophobicContact CE1-CB 3.66Å; Y337-V393 HydrophobicContact CE1-CG1 4.34Å; Y337-V393 HydrophobicContact CE1-CG2 3.62Å; Y337-V393 HydrophobicContact CE2-CG2 4.18Å; Y337-V393 HydrophobicContact CG-CB 4.35Å; Y337-V393 HydrophobicContact CG-CG2 4.17Å
394	C	97.1	Very high	94	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	118.3	165.4	-176.6	0	0	0	0	108	S289 Y290 L336	S289-C394 CarbonylContact O-C 3.59Å; S289-C394 WeakPolarHBondContact O-CA 3.18Å; Y290-C394 HydrophobicContact CD2-CB 3.92Å; Y290-C394 HydrophobicContact CE2-CB 4.44Å; L336-C394 HydrophobicContact CB-CB 4.26Å; L336-C394 WeakPolarHBondContact CB-O 3.37Å; L336-C394 PolarHBondContact N-O 2.77Å; L336-C394 PolarHBondContact O-N 2.92Å
395	M	96.3	Very high	94.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.2	171.2	-176	177.3	75.7	0	0	109.3	V288 S289 C313 F314 Y330 C334 L335 C397	V288-M395 CarbonylContact C-O 3.49Å; V288-M395 WeakPolarHBondContact CA-O 3.33Å; S289-M395 PolarHBondContact N-O 2.66Å; S289-M395 PolarHBondContact O-N 2.81Å; C313-M395 HydrophobicContact CB-CB 3.83Å; C313-M395 HydrophobicContact CB-CE 4.29Å; C313-M395 HydrophobicContact CB-SD 4.17Å; C313-M395 WeakPolarHBondContact O-CE 3.31Å; F314-M395 HydrophobicContact CD1-SD 4.21Å; F314-M395 HydrophobicContact CD2-SD 4Å; F314-M395 HydrophobicContact CE1-SD 3.77Å; F314-M395 HydrophobicContact CE2-SD 3.53Å; F314-M395 VanDerWaalsContact CE2-SD 3.53Å; F314-M395 HydrophobicContact CG-SD 4.31Å; F314-M395 HydrophobicContact CZ-SD 3.38Å; F314-M395 WeakPolarHBondContact CZ-SD 3.22Å; Y330-M395 HydrophobicContact CE1-CE 4.37Å; C334-M395 CarbonylContact O-C 3.39Å; C334-M395 WeakPolarHBondContact O-CA 3.46Å; L335-M395 HydrophobicContact CD2-CB 3.85Å; L335-M395 HydrophobicContact CD2-CG 3.77Å; L335-M395 HydrophobicContact CD2-SD 4.19Å; M395-C397 HydrophobicContact CE-CB 4.36Å; M395-C397 HydrophobicContact CG-CB 4.33Å
396	V	95.1	Very high	94.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	119.4	168.7	-176.4	0	0	0	0	106.8	F220 I256 L277 P286 V288 C333 C334 L336	F220-V396 HydrophobicContact CD1-CG1 3.66Å; F220-V396 HydrophobicContact CE1-CG1 3.56Å; I256-V396 HydrophobicContact CD1-CG2 3.75Å; I256-V396 HydrophobicContact CG1-CG2 3.82Å; L277-V396 HydrophobicContact CD1-CB 4.15Å; L277-V396 HydrophobicContact CD1-CG1 3.44Å; L277-V396 VanDerWaalsContact CD1-CG1 3.44Å; L277-V396 WeakPolarHBondContact CD2-O 3.21Å; P286-V396 HydrophobicContact CB-CG1 3.71Å; P286-V396 HydrophobicContact CG-CG1 4.02Å; V288-V396 HydrophobicContact CG1-CG2 4.3Å; C333-V396 CarbonylContact C-O 3.43Å; C334-V396 HydrophobicContact CB-CB 4.35Å; C334-V396 PolarHBondContact N-O 3.38Å; C334-V396 PolarHBondContact O-N 3.41Å; L336-V396 HydrophobicContact CD1-CG2 4.4Å
397	C	94.4	Very high	94.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	135.3	-174.6	68.6	0	0	0	0	112.2	P286 V287 Y330 A332 C333 M395	P286-C397 CarbonylContact C-O 3.51Å; P286-C397 WeakPolarHBondContact CA-O 3.27Å; P286-C397 WeakPolarHBondContact CB-O 3.32Å; V287-C397 PolarHBondContact N-O 2.75Å; V287-C397 PolarHBondContact O-N 2.79Å; Y330-C397 HydrophobicContact CD1-CB 3.97Å; Y330-C397 HydrophobicContact CE1-CB 4.14Å; A332-C397 CarbonylContact O-C 3.58Å; A332-C397 VanDerWaalsContact O-CA 3.22Å; A332-C397 WeakPolarHBondContact O-CA 3.43Å; C333-C397 HydrophobicContact CB-CB 4.4Å; M395-C397 HydrophobicContact CE-CB 4.36Å; M395-C397 HydrophobicContact CG-CB 4.33Å
398	N	94.3	Very high	94.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	122.5	166.2	-159.6	-9.4	0	0	0	107.8	L277 I283 I331 A332 Y450	L277-N398 VanDerWaalsContact O-CB 3.28Å; L277-N398 WeakPolarHBondContact O-CB 3.42Å; L277-N398 PolarHBondContact O-ND2 2.81Å; I283-N398 PolarHBondContact O-ND2 2.77Å; I331-N398 HydrophobicContact CB-CB 4.3Å; I331-N398 WeakPolarHBondContact CB-O 3.07Å; I331-N398 HydrophobicContact CD1-CB 4.5Å; I331-N398 PolarHBondContact N-O 3.09Å; A332-N398 PolarHBondContact N-O 3.1Å; A332-N398 PolarHBondContact O-N 3Å; N398-Y450 WeakPolarHBondContact OD1-CE1 3.42Å; N398-Y450 PolarHBondContact OD1-OH 3.34Å
399	T	94.4	Very high	94.9	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.012	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	140.1	-172.7	176.9	0	0	0	0	109.9	V287 K329 A401 I402	V287-T399 HydrophobicContact CB-CG2 4.49Å; V287-T399 HydrophobicContact CG2-CG2 4.12Å; K329-T399 WeakPolarHBondContact O-CA 3.35Å; K329-T399 PolarHBondContact O-OG1 3.38Å; T399-A401 HydrophobicContact CG2-CB 4.15Å; T399-A401 PolarHBondContact O-N 3.36Å; T399-A401 WeakPolarHBondContact OG1-CB 3.47Å; T399-A401 PolarHBondContact OG1-N 2.84Å; T399-I402 WeakPolarHBondContact O-CG2 3.23Å; T399-I402 PolarHBondContact O-N 3.09Å
400	T	95	Very high	95	Very high	17 Å²	17	19.3 Å²	19.3	10%	0.104	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-68.6	-12.8	175.2	65	0	0	0	0	112.8	G328 K329 I331 I402 V403 Y450 V453	G328-T400 VanDerWaalsContact CA-OG1 3.31Å; G328-T400 WeakPolarHBondContact CA-OG1 3.34Å; K329-T400 PolarHBondContact N-OG1 2.96Å; K329-T400 PolarHBondContact O-N 3.37Å; K329-T400 PolarHBondContact O-OG1 3.42Å; I331-T400 HydrophobicContact CD1-CG2 3.99Å; I331-T400 HydrophobicContact CG1-CG2 4.1Å; T400-I402 PolarHBondContact O-N 2.95Å; T400-V403 WeakPolarHBondContact O-CB 3.42Å; T400-V403 VanDerWaalsContact O-CG2 3.28Å; T400-V403 WeakPolarHBondContact O-CG2 3.47Å; T400-V403 PolarHBondContact O-N 3.25Å; T400-Y450 VanDerWaalsContact CG2-O 3.27Å; T400-Y450 WeakPolarHBondContact CG2-O 3.42Å; T400-V453 HydrophobicContact CG2-CG1 4.02Å
401	A	94.9	Very high	95.1	Very high	7 Å²	7	23.1 Å²	23.1	6%	0.058	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-61.7	-22.5	174.5	0	0	0	0	0	113.2	C323 D324 T399 V403 E404	C323-A401 HydrophobicContact CB-CB 4.41Å; C323-A401 WeakPolarHBondContact CB-O 3.31Å; D324-A401 WeakPolarHBondContact O-CB 3.35Å; T399-A401 HydrophobicContact CG2-CB 4.15Å; T399-A401 PolarHBondContact O-N 3.36Å; T399-A401 WeakPolarHBondContact OG1-CB 3.47Å; T399-A401 PolarHBondContact OG1-N 2.84Å; A401-V403 PolarHBondContact O-N 2.91Å; A401-V403 VanDerWaalsContact O-N 3.12Å; A401-E404 WeakPolarHBondContact O-CB 3.16Å; A401-E404 PolarHBondContact O-N 2.79Å; A401-E404 VanDerWaalsContact O-N 3.14Å
402	I	95	Very high	95.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-61.4	-20.8	178.4	-164.7	57.8	0	0	0	113	I221 V287 V321 T399 T400 E404 A405 W406 Y450	I221-I402 HydrophobicContact CD1-CD1 4.49Å; V287-I402 HydrophobicContact CG2-CD1 3.78Å; V287-I402 HydrophobicContact CG2-CG1 4.42Å; V321-I402 HydrophobicContact CG1-CD1 3.97Å; T399-I402 WeakPolarHBondContact O-CG2 3.23Å; T399-I402 PolarHBondContact O-N 3.09Å; T400-I402 PolarHBondContact O-N 2.95Å; I402-E404 PolarHBondContact O-N 2.96Å; I402-E404 VanDerWaalsContact O-N 3.11Å; I402-A405 HydrophobicContact CD1-CB 3.99Å; I402-A405 WeakPolarHBondContact O-CB 3.46Å; I402-A405 PolarHBondContact O-N 3.19Å; I402-W406 HydrophobicContact CG1-CZ2 3.73Å; I402-W406 PolarHBondContact O-N 3.48Å; I402-Y450 HydrophobicContact CG2-CD1 3.82Å; I402-Y450 HydrophobicContact CG2-CD2 4.32Å; I402-Y450 HydrophobicContact CG2-CE1 3.43Å; I402-Y450 VanDerWaalsContact CG2-CE1 3.43Å; I402-Y450 HydrophobicContact CG2-CE2 4.01Å; I402-Y450 HydrophobicContact CG2-CG 4.24Å
403	V	95.2	Very high	95	Very high	6 Å²	6	24.4 Å²	24.4	4%	0.036	11%	0.107	C	C	.	.	H	α-helix	trans	-53.8	-30.8	173.7	174.4	0	0	0	0	112.7	T400 A401 A405 W406 R407 E447 Y450 E451	T400-V403 WeakPolarHBondContact O-CB 3.42Å; T400-V403 VanDerWaalsContact O-CG2 3.28Å; T400-V403 WeakPolarHBondContact O-CG2 3.47Å; T400-V403 PolarHBondContact O-N 3.25Å; A401-V403 PolarHBondContact O-N 2.91Å; A401-V403 VanDerWaalsContact O-N 3.12Å; V403-A405 VanDerWaalsContact C-N 3.28Å; V403-A405 PolarHBondContact O-N 2.88Å; V403-W406 PolarHBondContact O-N 2.96Å; V403-R407 HydrophobicContact CG1-CG 4.03Å; V403-R407 WeakPolarHBondContact O-CB 3.43Å; V403-R407 WeakPolarHBondContact O-CG 3.23Å; V403-R407 PolarHBondContact O-N 3.22Å; V403-E447 HydrophobicContact CG1-CB 4.46Å; V403-E447 HydrophobicContact CG1-CG 4.49Å; V403-Y450 HydrophobicContact CG2-CG 3.91Å; V403-E451 HydrophobicContact CG1-CG 4.43Å
404	E	93.7	Very high	95	Very high	84 Å²	84	26.2 Å²	26.2	39%	0.393	12%	0.122	S	C	.	.	H	α-helix	trans	-60.3	-39.2	175	-169.6	-173.7	167.7	0	0	112.1	C323 D324 A401 I402 R408	C323-E404 WeakPolarHBondContact CA-OE2 3.5Å; D324-E404 PolarHBondContact N-OE2 3.25Å; A401-E404 WeakPolarHBondContact O-CB 3.16Å; A401-E404 PolarHBondContact O-N 2.79Å; A401-E404 VanDerWaalsContact O-N 3.14Å; I402-E404 PolarHBondContact O-N 2.96Å; I402-E404 VanDerWaalsContact O-N 3.11Å; E404-R408 VanDerWaalsContact O-CB 3.32Å; E404-R408 WeakPolarHBondContact O-CB 3.48Å; E404-R408 PolarHBondContact O-N 3.24Å; E404-R408 VanDerWaalsContact O-N 3.16Å
405	A	94	Very high	94.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67.2	-44.2	177.5	0	0	0	0	0	111.1	Y190 I402 V403 R408 L409	Y190-A405 HydrophobicContact CE1-CB 4.12Å; I402-A405 HydrophobicContact CD1-CB 3.99Å; I402-A405 WeakPolarHBondContact O-CB 3.46Å; I402-A405 PolarHBondContact O-N 3.19Å; V403-A405 VanDerWaalsContact C-N 3.28Å; V403-A405 PolarHBondContact O-N 2.88Å; A405-R408 PolarHBondContact O-N 3.21Å; A405-L409 PolarHBondContact O-N 2.91Å
406	W	95	Very high	94.8	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.6	-54.4	177.1	-52.5	143	0	0	0	111.8	Y190 T209 I221 F285 I402 V403 R408 L409 N410 L443 E447 Y450	Y190-W406 HydrophobicContact CD2-CZ3 4.27Å; Y190-W406 HydrophobicContact CE1-CE3 4.32Å; Y190-W406 HydrophobicContact CE1-CZ3 4.11Å; Y190-W406 HydrophobicContact CE2-CE3 4.15Å; Y190-W406 AromaticContact CE2-CH2 3.93Å; Y190-W406 HydrophobicContact CE2-CH2 3.93Å; Y190-W406 AromaticContact CE2-CZ3 3.27Å; Y190-W406 HydrophobicContact CE2-CZ3 3.27Å; Y190-W406 AromaticContact CZ-CE3 3.58Å; Y190-W406 AromaticContact CZ-CZ3 3.17Å; Y190-W406 WeakPolarHBondContact OH-CZ3 3.38Å; T209-W406 HydrophobicContact CG2-CZ3 4.35Å; I221-W406 HydrophobicContact CD1-CH2 3.32Å; I221-W406 HydrophobicContact CD1-CZ2 3.68Å; I221-W406 HydrophobicContact CD1-CZ3 4.41Å; F285-W406 HydrophobicContact CB-CH2 4.33Å; F285-W406 HydrophobicContact CB-CZ2 3.72Å; F285-W406 AromaticContact CD1-CH2 3.95Å; F285-W406 HydrophobicContact CD1-CH2 3.95Å; F285-W406 HydrophobicContact CD1-CZ2 4.14Å; F285-W406 HydrophobicContact CD2-CH2 4.3Å; F285-W406 AromaticContact CD2-CZ2 3.84Å; F285-W406 HydrophobicContact CD2-CZ2 3.84Å; F285-W406 HydrophobicContact CE1-CH2 4.3Å; F285-W406 HydrophobicContact CE2-CZ2 4.49Å; F285-W406 AromaticContact CG-CH2 3.93Å; F285-W406 HydrophobicContact CG-CH2 3.93Å; F285-W406 AromaticContact CG-CZ2 3.63Å; F285-W406 HydrophobicContact CG-CZ2 3.63Å; I402-W406 HydrophobicContact CG1-CZ2 3.73Å; I402-W406 PolarHBondContact O-N 3.48Å; V403-W406 PolarHBondContact O-N 2.96Å; W406-R408 VanDerWaalsContact C-N 3.25Å; W406-R408 PolarHBondContact O-N 3.38Å; W406-L409 WeakPolarHBondContact O-CB 3.48Å; W406-L409 PolarHBondContact O-N 2.84Å; W406-N410 WeakPolarHBondContact O-CB 2.94Å; W406-N410 PolarHBondContact O-N 2.85Å; W406-L443 HydrophobicContact CB-CD1 4.07Å; W406-L443 HydrophobicContact CD2-CD1 4.13Å; W406-L443 HydrophobicContact CE3-CD1 3.82Å; W406-L443 HydrophobicContact CG-CD1 4.2Å; W406-E447 HydrophobicContact CB-CG 3.61Å; W406-Y450 AromaticContact NE1-CE2 3.81Å
407	R	95.2	Very high	94.9	Very high	125 Å²	125	35.1 Å²	35.1	47%	0.472	17%	0.165	S	C	.	.	H	α-helix	trans	-55.4	-41.3	179.1	-76.4	172.6	178.2	165.9	-4.6	112.4	V403 N410 K411 E447 E451	V403-R407 HydrophobicContact CG1-CG 4.03Å; V403-R407 WeakPolarHBondContact O-CB 3.43Å; V403-R407 WeakPolarHBondContact O-CG 3.23Å; V403-R407 PolarHBondContact O-N 3.22Å; R407-N410 PolarHBondContact O-N 2.69Å; R407-K411 VanDerWaalsContact O-CB 3.3Å; R407-K411 WeakPolarHBondContact O-CB 2.87Å; R407-K411 PolarHBondContact O-N 2.82Å; R407-E447 HydrophobicContact CG-CG 4.27Å; R407-E447 WeakPolarHBondContact CG-OE2 3.46Å; R407-E451 IonicContact CZ-OE1 3.42Å; R407-E451 IonicContact NE-OE1 3.46Å; R407-E451 PolarHBondContact NE-OE1 3.47Å; R407-E451 VanDerWaalsContact NH2-CD 3.33Å; R407-E451 IonicContact NH2-OE1 2.74Å; R407-E451 PolarHBondContact NH2-OE1 3.04Å
408	R	93.9	Very high	94.9	Very high	47 Å²	47	39.2 Å²	39.2	18%	0.177	20%	0.199	C	C	.	.	H	α-helix	trans	-65.1	-45.1	178.2	-179.2	176	62.4	-118.2	3.4	111.3	K322 E404 A405 W406 K412	K322-R408 PolarHBondContact O-NH1 2.87Å; E404-R408 VanDerWaalsContact O-CB 3.32Å; E404-R408 WeakPolarHBondContact O-CB 3.48Å; E404-R408 PolarHBondContact O-N 3.24Å; E404-R408 VanDerWaalsContact O-N 3.16Å; A405-R408 PolarHBondContact O-N 3.21Å; W406-R408 VanDerWaalsContact C-N 3.25Å; W406-R408 PolarHBondContact O-N 3.38Å; R408-K412 WeakPolarHBondContact O-CG 3.31Å; R408-K412 PolarHBondContact O-N 2.82Å
409	L	94.6	Very high	95	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-61.2	-49.3	175.8	178.1	64.2	0	0	0	110.6	Y190 P191 P202 A205 V206 A405 W406 K411 K412 F413 L443	Y190-L409 WeakPolarHBondContact OH-CD2 3.33Å; P191-L409 HydrophobicContact CG-CD1 4.35Å; P202-L409 HydrophobicContact CB-CD1 3.97Å; A205-L409 HydrophobicContact CB-CD1 3.95Å; A205-L409 HydrophobicContact CB-CD2 3.66Å; A205-L409 HydrophobicContact CB-CG 4.5Å; V206-L409 HydrophobicContact CG2-CD1 4.32Å; V206-L409 HydrophobicContact CG2-CD2 3.58Å; V206-L409 HydrophobicContact CG2-CG 3.68Å; A405-L409 PolarHBondContact O-N 2.91Å; W406-L409 WeakPolarHBondContact O-CB 3.48Å; W406-L409 PolarHBondContact O-N 2.84Å; L409-K411 VanDerWaalsContact C-N 3.31Å; L409-K411 PolarHBondContact O-N 3.24Å; L409-K412 WeakPolarHBondContact O-CB 3.09Å; L409-K412 PolarHBondContact O-N 3.21Å; L409-K412 VanDerWaalsContact O-N 3.07Å; L409-F413 WeakPolarHBondContact O-CB 3.4Å; L409-F413 PolarHBondContact O-N 2.89Å; L409-L443 HydrophobicContact CD2-CD2 4.03Å; L409-L443 HydrophobicContact CG-CD2 4.35Å
410	N	94.9	Very high	95.1	Very high	8 Å²	8	54.1 Å²	54.1	4%	0.043	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-38.4	-176	-138.2	-13.5	0	0	0	111.9	W406 R407 F413 A414 R440 L443 L444 E447	W406-N410 WeakPolarHBondContact O-CB 2.94Å; W406-N410 PolarHBondContact O-N 2.85Å; R407-N410 PolarHBondContact O-N 2.69Å; N410-F413 PolarHBondContact O-N 2.72Å; N410-A414 VanDerWaalsContact O-CB 3.31Å; N410-A414 WeakPolarHBondContact O-CB 3.3Å; N410-A414 PolarHBondContact O-N 2.55Å; N410-R440 WeakPolarHBondContact OD1-CG 3.42Å; N410-L443 HydrophobicContact CB-CD2 4.03Å; N410-L444 WeakPolarHBondContact ND2-CD2 3.28Å; N410-L444 VanDerWaalsContact ND2-CG 3.29Å; N410-L444 WeakPolarHBondContact ND2-CG 3.47Å; N410-E447 WeakPolarHBondContact CB-OE1 3.46Å; N410-E447 PolarHBondContact ND2-OE1 3.14Å
411	K	95.2	Very high	95.1	Very high	149 Å²	149	54.7 Å²	54.7	65%	0.648	27%	0.267	S	S	*	.	H	α-helix	trans	-61.2	-46.4	171.7	-176.9	178.3	179.9	178.6	0	112.3	R407 L409 A414 L415	R407-K411 VanDerWaalsContact O-CB 3.3Å; R407-K411 WeakPolarHBondContact O-CB 2.87Å; R407-K411 PolarHBondContact O-N 2.82Å; L409-K411 VanDerWaalsContact C-N 3.31Å; L409-K411 PolarHBondContact O-N 3.24Å; K411-A414 PolarHBondContact O-N 2.87Å; K411-L415 HydrophobicContact CG-CD1 4.32Å; K411-L415 VanDerWaalsContact O-CG 3.27Å; K411-L415 WeakPolarHBondContact O-CG 3.24Å; K411-L415 PolarHBondContact O-N 2.81Å; K411-L415 VanDerWaalsContact O-N 3.12Å
412	K	94.5	Very high	95.2	Very high	62 Å²	62	57.3 Å²	57.3	27%	0.27	28%	0.277	S	S	.	.	H	α-helix	trans	-62	-46.3	177.2	-72.5	-179.5	178.9	-176.7	0	110.5	A192 P193 P202 R408 L409 L415 M416	A192-K412 PolarHBondContact O-NZ 3.43Å; P193-K412 PolarHBondContact O-NZ 3.46Å; P202-K412 HydrophobicContact CB-CB 4.04Å; P202-K412 HydrophobicContact CG-CB 3.89Å; P202-K412 HydrophobicContact CG-CD 4.31Å; R408-K412 WeakPolarHBondContact O-CG 3.31Å; R408-K412 PolarHBondContact O-N 2.82Å; L409-K412 WeakPolarHBondContact O-CB 3.09Å; L409-K412 PolarHBondContact O-N 3.21Å; L409-K412 VanDerWaalsContact O-N 3.07Å; K412-L415 PolarHBondContact O-N 2.89Å; K412-M416 WeakPolarHBondContact O-CG 3.39Å; K412-M416 PolarHBondContact O-N 3.26Å
413	F	95.8	Very high	95.3	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-55.6	-53.5	175.7	-178.6	-76.1	0	0	0	111.5	Y203 V206 L409 N410 L415 M416 Y417 F436 R440	Y203-F413 AromaticContact CD1-CD2 3.42Å; Y203-F413 HydrophobicContact CD1-CD2 3.42Å; Y203-F413 VanDerWaalsContact CD1-CD2 3.42Å; Y203-F413 AromaticContact CD1-CE2 3.42Å; Y203-F413 HydrophobicContact CD1-CE2 3.42Å; Y203-F413 VanDerWaalsContact CD1-CE2 3.42Å; Y203-F413 HydrophobicContact CD1-CG 4.11Å; Y203-F413 HydrophobicContact CD1-CZ 4.11Å; Y203-F413 HydrophobicContact CE1-CD2 4.02Å; Y203-F413 AromaticContact CE1-CE2 3.99Å; Y203-F413 HydrophobicContact CE1-CE2 3.99Å; Y203-F413 HydrophobicContact CE1-CG 4.31Å; Y203-F413 HydrophobicContact CE1-CZ 4.26Å; Y203-F413 HydrophobicContact CG-CD2 4.49Å; Y203-F413 HydrophobicContact CG-CE2 4.36Å; V206-F413 HydrophobicContact CB-CD2 3.54Å; V206-F413 HydrophobicContact CB-CE2 3.77Å; V206-F413 HydrophobicContact CB-CG 4.43Å; V206-F413 HydrophobicContact CG1-CD2 3.87Å; V206-F413 HydrophobicContact CG1-CE2 3.78Å; V206-F413 HydrophobicContact CG1-CZ 4.39Å; V206-F413 HydrophobicContact CG2-CB 3.95Å; V206-F413 HydrophobicContact CG2-CD2 3.39Å; V206-F413 HydrophobicContact CG2-CE2 4.14Å; V206-F413 HydrophobicContact CG2-CG 3.89Å; L409-F413 WeakPolarHBondContact O-CB 3.4Å; L409-F413 PolarHBondContact O-N 2.89Å; N410-F413 PolarHBondContact O-N 2.72Å; F413-L415 VanDerWaalsContact C-N 3.32Å; F413-L415 PolarHBondContact O-N 3.07Å; F413-M416 PolarHBondContact O-N 3.34Å; F413-M416 VanDerWaalsContact O-N 3.11Å; F413-Y417 HydrophobicContact CE1-CG 4.12Å; F413-Y417 WeakPolarHBondContact O-CB 3.31Å; F413-Y417 PolarHBondContact O-N 2.9Å; F413-F436 HydrophobicContact CE2-CD1 4.02Å; F413-F436 HydrophobicContact CZ-CB 4.07Å; F413-F436 AromaticContact CZ-CD1 3.75Å; F413-F436 HydrophobicContact CZ-CD1 3.75Å; F413-F436 HydrophobicContact CZ-CG 4.43Å; F413-F436 VanDerWaalsContact CZ-O 3.31Å; F413-F436 WeakPolarHBondContact CZ-O 3.14Å; F413-R440 HydrophobicContact CD1-CB 4.14Å; F413-R440 HydrophobicContact CD1-CG 3.87Å; F413-R440 HydrophobicContact CE1-CB 3.7Å; F413-R440 HydrophobicContact CE1-CG 3.89Å; F413-R440 HydrophobicContact CZ-CB 4.18Å
414	A	95.6	Very high	95.3	Very high	39 Å²	39	63.2 Å²	63.2	32%	0.322	30%	0.304	S	S	.	.	H	α-helix	trans	-60.9	-39.8	-176.8	0	0	0	0	0	112.4	N410 K411 M416 Y417 A418	N410-A414 VanDerWaalsContact O-CB 3.31Å; N410-A414 WeakPolarHBondContact O-CB 3.3Å; N410-A414 PolarHBondContact O-N 2.55Å; K411-A414 PolarHBondContact O-N 2.87Å; A414-M416 VanDerWaalsContact C-N 3.34Å; A414-M416 PolarHBondContact O-N 3.16Å; A414-Y417 PolarHBondContact O-N 3.45Å; A414-A418 VanDerWaalsContact O-CB 3.22Å; A414-A418 WeakPolarHBondContact O-CB 3.38Å; A414-A418 PolarHBondContact O-N 3.42Å
415	L	95	Very high	95.5	Very high	111 Å²	111	64.8 Å²	64.8	58%	0.581	31%	0.306	S	S	*	.	H	α-helix	trans	-62.6	-39.3	176.2	-73.4	171.3	0	0	0	112.6	K411 K412 F413	K411-L415 HydrophobicContact CG-CD1 4.32Å; K411-L415 VanDerWaalsContact O-CG 3.27Å; K411-L415 WeakPolarHBondContact O-CG 3.24Å; K411-L415 PolarHBondContact O-N 2.81Å; K411-L415 VanDerWaalsContact O-N 3.12Å; K412-L415 PolarHBondContact O-N 2.89Å; F413-L415 VanDerWaalsContact C-N 3.32Å; F413-L415 PolarHBondContact O-N 3.07Å
416	M	95	Very high	95.7	Very high	32 Å²	32	64.8 Å²	64.8	16%	0.158	31%	0.306	C	S	.	.	H	α-helix	trans	-72	-46.2	177.1	-67.7	177.5	62.4	0	0	111.4	V199 P202 Y203 K412 F413 A414 K419 R420 A421 F422	V199-M416 VanDerWaalsContact O-CE 3.23Å; V199-M416 WeakPolarHBondContact O-CE 3.34Å; P202-M416 HydrophobicContact CB-SD 4.06Å; P202-M416 HydrophobicContact CG-SD 3.78Å; Y203-M416 HydrophobicContact CD2-CE 4.38Å; Y203-M416 HydrophobicContact CE1-CB 3.91Å; Y203-M416 HydrophobicContact CE2-CE 4.17Å; Y203-M416 PolarHBondContact OH-O 3.12Å; K412-M416 WeakPolarHBondContact O-CG 3.39Å; K412-M416 PolarHBondContact O-N 3.26Å; F413-M416 PolarHBondContact O-N 3.34Å; F413-M416 VanDerWaalsContact O-N 3.11Å; A414-M416 VanDerWaalsContact C-N 3.34Å; A414-M416 PolarHBondContact O-N 3.16Å; M416-K419 PolarHBondContact O-N 2.88Å; M416-K419 VanDerWaalsContact O-N 3.14Å; M416-R420 PolarHBondContact O-N 3.37Å; M416-A421 PolarHBondContact O-N 2.74Å; M416-A421 VanDerWaalsContact O-N 3.08Å; M416-F422 HydrophobicContact CE-CD2 3.85Å; M416-F422 HydrophobicContact CE-CE2 4.32Å
417	Y	96.4	Very high	95.8	Very high	43 Å²	43	67.5 Å²	67.5	17%	0.169	32%	0.323	C	S	.	.	H	α-helix	trans	-67.4	-38.2	-176.2	-169.6	-109.5	0	0	0	112.3	Y203 F413 A414 K419 R420 V423 F436	Y203-Y417 VanDerWaalsContact OH-CA 3.25Å; Y203-Y417 WeakPolarHBondContact OH-CA 3.25Å; Y203-Y417 PolarHBondContact OH-N 2.84Å; Y203-Y417 VanDerWaalsContact OH-N 3.16Å; F413-Y417 HydrophobicContact CE1-CG 4.12Å; F413-Y417 WeakPolarHBondContact O-CB 3.31Å; F413-Y417 PolarHBondContact O-N 2.9Å; A414-Y417 PolarHBondContact O-N 3.45Å; Y417-K419 PolarHBondContact O-N 3.18Å; Y417-K419 VanDerWaalsContact O-N 3.14Å; Y417-R420 WeakPolarHBondContact O-CA 3.38Å; Y417-R420 PolarHBondContact O-N 3.16Å; Y417-V423 HydrophobicContact CD2-CG2 3.87Å; Y417-V423 HydrophobicContact CE2-CG2 4.09Å; Y417-F436 HydrophobicContact CD2-CB 4.07Å; Y417-F436 HydrophobicContact CD2-CD1 4.27Å; Y417-F436 HydrophobicContact CD2-CG 4.24Å; Y417-F436 HydrophobicContact CE2-CB 3.47Å; Y417-F436 VanDerWaalsContact CE2-CB 3.47Å; Y417-F436 HydrophobicContact CE2-CD1 4.3Å; Y417-F436 HydrophobicContact CE2-CD2 4.33Å; Y417-F436 AromaticContact CE2-CG 3.82Å; Y417-F436 HydrophobicContact CE2-CG 3.82Å
418	A	95.9	Very high	95.9	Very high	87 Å²	87	64.7 Å²	64.7	72%	0.719	33%	0.333	S	S	*	.	H	α-helix	trans	-58.2	-28.4	174.3	0	0	0	0	0	113	A414	A414-A418 VanDerWaalsContact O-CB 3.22Å; A414-A418 WeakPolarHBondContact O-CB 3.38Å; A414-A418 PolarHBondContact O-N 3.42Å
419	K	96.3	Very high	96	Very high	176 Å²	176	64.4 Å²	64.4	77%	0.765	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	1.5	175.4	-64.8	-176.2	179.1	-178.3	0	113.3	M416 Y417 A421	M416-K419 PolarHBondContact O-N 2.88Å; M416-K419 VanDerWaalsContact O-N 3.14Å; Y417-K419 PolarHBondContact O-N 3.18Å; Y417-K419 VanDerWaalsContact O-N 3.14Å; K419-A421 HydrophobicContact CB-CB 4.47Å; K419-A421 PolarHBondContact O-N 2.96Å; K419-A421 VanDerWaalsContact O-N 3.08Å
420	R	95.9	Very high	96	Very high	138 Å²	138	66.8 Å²	66.8	52%	0.521	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	28.4	-169.8	-55.2	179.8	67.1	81.7	3.6	112.7	M416 Y417 F422 V423 E433	M416-R420 PolarHBondContact O-N 3.37Å; Y417-R420 WeakPolarHBondContact O-CA 3.38Å; Y417-R420 PolarHBondContact O-N 3.16Å; R420-F422 PolarHBondContact O-N 2.89Å; R420-V423 HydrophobicContact CB-CG2 4.38Å; R420-V423 PolarHBondContact O-N 3.08Å; R420-E433 IonicContact CZ-OE1 3.41Å; R420-E433 IonicContact CZ-OE2 3.71Å; R420-E433 IonicContact NH1-OE1 3.16Å; R420-E433 PolarHBondContact NH1-OE1 3.01Å; R420-E433 IonicContact NH1-OE2 2.84Å; R420-E433 IonicContact NH2-OE1 3.84Å; R420-E433 PolarHBondContact NH2-OE1 3.16Å; R420-E433 IonicContact NH2-OE2 3.85Å; R420-E433 PolarHBondContact NH2-OE2 2.63Å
421	A	95.9	Very high	96.2	Very high	29 Å²	29	66.5 Å²	66.5	24%	0.24	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	128.7	-177.8	0	0	0	0	0	108.8	Y203 M416 K419 V423	Y203-A421 WeakPolarHBondContact CE2-O 3.49Å; Y203-A421 PolarHBondContact OH-O 2.85Å; M416-A421 PolarHBondContact O-N 2.74Å; M416-A421 VanDerWaalsContact O-N 3.08Å; K419-A421 HydrophobicContact CB-CB 4.47Å; K419-A421 PolarHBondContact O-N 2.96Å; K419-A421 VanDerWaalsContact O-N 3.08Å; A421-V423 PolarHBondContact O-N 3.34Å
422	F	96.2	Very high	96.2	Very high	62 Å²	62	65.9 Å²	65.9	27%	0.272	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	0.6	179	-48	-74.5	0	0	0	117.1	V199 V200 Y203 M416 R420 H424 W425	V199-F422 HydrophobicContact CB-CE2 4.41Å; V199-F422 HydrophobicContact CB-CZ 4.45Å; V199-F422 HydrophobicContact CG2-CE1 4.23Å; V199-F422 HydrophobicContact CG2-CE2 4.01Å; V199-F422 HydrophobicContact CG2-CZ 3.79Å; V200-F422 HydrophobicContact CG1-CB 3.77Å; V200-F422 HydrophobicContact CG1-CD1 4.31Å; V200-F422 HydrophobicContact CG1-CD2 3.97Å; V200-F422 HydrophobicContact CG1-CG 3.76Å; Y203-F422 HydrophobicContact CE2-CB 4.34Å; M416-F422 HydrophobicContact CE-CD2 3.85Å; M416-F422 HydrophobicContact CE-CE2 4.32Å; R420-F422 PolarHBondContact O-N 2.89Å; F422-H424 PolarHBondContact O-N 3.29Å; F422-W425 HydrophobicContact CB-CD2 4.3Å; F422-W425 HydrophobicContact CB-CE3 4.34Å; F422-W425 AromaticContact CD1-CD2 3.84Å; F422-W425 HydrophobicContact CD1-CD2 3.84Å; F422-W425 AromaticContact CD1-CE2 3.76Å; F422-W425 AromaticContact CD1-CE3 3.76Å; F422-W425 HydrophobicContact CD1-CE3 3.76Å; F422-W425 AromaticContact CD1-CH2 3.6Å; F422-W425 HydrophobicContact CD1-CH2 3.6Å; F422-W425 AromaticContact CD1-CZ2 3.65Å; F422-W425 HydrophobicContact CD1-CZ2 3.65Å; F422-W425 AromaticContact CD1-CZ3 3.65Å; F422-W425 HydrophobicContact CD1-CZ3 3.65Å; F422-W425 AromaticContact CE1-CH2 3.63Å; F422-W425 HydrophobicContact CE1-CH2 3.63Å; F422-W425 AromaticContact CE1-CZ2 3.86Å; F422-W425 HydrophobicContact CE1-CZ2 3.86Å; F422-W425 HydrophobicContact CE1-CZ3 4.01Å; F422-W425 HydrophobicContact CG-CE3 4.42Å; F422-W425 VanDerWaalsContact O-CB 3.29Å; F422-W425 WeakPolarHBondContact O-CB 3.34Å; F422-W425 PolarHBondContact O-N 3.01Å
423	V	96.6	Very high	96.3	Very high	3 Å²	3	66 Å²	66	2%	0.018	36%	0.359	C	S	.	.	H	α-helix	trans	-55.5	-41.3	-178.6	174.4	0	0	0	0	111.8	Y203 Y417 R420 A421 W425 Y426 V427 E433 F436	Y203-V423 HydrophobicContact CE2-CG2 4.39Å; Y417-V423 HydrophobicContact CD2-CG2 3.87Å; Y417-V423 HydrophobicContact CE2-CG2 4.09Å; R420-V423 HydrophobicContact CB-CG2 4.38Å; R420-V423 PolarHBondContact O-N 3.08Å; A421-V423 PolarHBondContact O-N 3.34Å; V423-W425 PolarHBondContact O-N 2.75Å; V423-W425 VanDerWaalsContact O-N 3.16Å; V423-Y426 PolarHBondContact O-N 2.98Å; V423-V427 HydrophobicContact CG1-CG2 4.1Å; V423-V427 PolarHBondContact O-N 3.23Å; V423-V427 VanDerWaalsContact O-N 3.12Å; V423-E433 HydrophobicContact CG1-CG 4.17Å; V423-F436 HydrophobicContact CG1-CE2 4.12Å
424	H	96.4	Very high	96.3	Very high	127 Å²	127	68.2 Å²	68.2	59%	0.588	38%	0.377	S	S	*	.	H	α-helix	trans	-61.9	-20.5	177.6	66.1	-75.5	0	0	0	114.2	F422 Y426 G428	F422-H424 PolarHBondContact O-N 3.29Å; H424-Y426 VanDerWaalsContact C-N 3.32Å; H424-G428 PolarHBondContact O-N 3Å
425	W	96.6	Very high	96.4	Very high	117 Å²	117	67.8 Å²	67.8	44%	0.443	37%	0.368	S	S	.	.	H	α-helix	trans	-72.2	-28.3	174.5	-64.7	2.4	0	0	0	112	N120 V200 F422 V423 E429	N120-W425 PolarHBondContact ND2-O 3.49Å; V200-W425 HydrophobicContact CG1-CE3 4.34Å; V200-W425 HydrophobicContact CG1-CZ3 4.47Å; F422-W425 HydrophobicContact CB-CD2 4.3Å; F422-W425 HydrophobicContact CB-CE3 4.34Å; F422-W425 AromaticContact CD1-CD2 3.84Å; F422-W425 HydrophobicContact CD1-CD2 3.84Å; F422-W425 AromaticContact CD1-CE2 3.76Å; F422-W425 AromaticContact CD1-CE3 3.76Å; F422-W425 HydrophobicContact CD1-CE3 3.76Å; F422-W425 AromaticContact CD1-CH2 3.6Å; F422-W425 HydrophobicContact CD1-CH2 3.6Å; F422-W425 AromaticContact CD1-CZ2 3.65Å; F422-W425 HydrophobicContact CD1-CZ2 3.65Å; F422-W425 AromaticContact CD1-CZ3 3.65Å; F422-W425 HydrophobicContact CD1-CZ3 3.65Å; F422-W425 AromaticContact CE1-CH2 3.63Å; F422-W425 HydrophobicContact CE1-CH2 3.63Å; F422-W425 AromaticContact CE1-CZ2 3.86Å; F422-W425 HydrophobicContact CE1-CZ2 3.86Å; F422-W425 HydrophobicContact CE1-CZ3 4.01Å; F422-W425 HydrophobicContact CG-CE3 4.42Å; F422-W425 VanDerWaalsContact O-CB 3.29Å; F422-W425 WeakPolarHBondContact O-CB 3.34Å; F422-W425 PolarHBondContact O-N 3.01Å; V423-W425 PolarHBondContact O-N 2.75Å; V423-W425 VanDerWaalsContact O-N 3.16Å; W425-E429 WeakPolarHBondContact O-CG 3.37Å
426	Y	98.2	Very high	96.5	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-87.8	-46.1	179.6	-69.7	-113.9	0	0	0	110.2	N120 A122 V200 Y203 N204 L207 V423 H424 G428 E429 M431 F436	N120-Y426 WeakPolarHBondContact OD1-CD1 3.29Å; A122-Y426 HydrophobicContact CB-CD1 3.9Å; A122-Y426 HydrophobicContact CB-CG 4.25Å; V200-Y426 HydrophobicContact CB-CE2 4.31Å; V200-Y426 VanDerWaalsContact CB-OH 3.3Å; V200-Y426 WeakPolarHBondContact CB-OH 3.36Å; V200-Y426 HydrophobicContact CG1-CE2 4.33Å; V200-Y426 WeakPolarHBondContact CG2-OH 3.47Å; Y203-Y426 WeakPolarHBondContact CB-OH 3.4Å; Y203-Y426 HydrophobicContact CD2-CD2 4.33Å; Y203-Y426 AromaticContact CD2-CE2 3.72Å; Y203-Y426 HydrophobicContact CD2-CE2 3.72Å; Y203-Y426 AromaticContact CD2-CZ 3.98Å; N204-Y426 PolarHBondContact OD1-OH 3.24Å; L207-Y426 HydrophobicContact CD1-CD1 3.9Å; L207-Y426 HydrophobicContact CD1-CE1 3.79Å; V423-Y426 PolarHBondContact O-N 2.98Å; H424-Y426 VanDerWaalsContact C-N 3.32Å; Y426-G428 VanDerWaalsContact C-N 3.25Å; Y426-G428 PolarHBondContact O-N 3.22Å; Y426-E429 WeakPolarHBondContact O-CB 3.4Å; Y426-E429 PolarHBondContact O-N 3.37Å; Y426-M431 HydrophobicContact CD1-SD 3.87Å; Y426-M431 HydrophobicContact CG-SD 4.39Å; Y426-M431 WeakPolarHBondContact O-CB 3.49Å; Y426-M431 PolarHBondContact O-N 3.1Å; Y426-F436 VanDerWaalsContact CB-CZ 3.47Å; Y426-F436 HydrophobicContact CD1-CE1 4.32Å; Y426-F436 AromaticContact CD1-CZ 3.79Å; Y426-F436 HydrophobicContact CD1-CZ 3.79Å; Y426-F436 AromaticContact CD2-CZ 3.9Å; Y426-F436 HydrophobicContact CD2-CZ 3.9Å; Y426-F436 HydrophobicContact CG-CE1 4.3Å; Y426-F436 HydrophobicContact CG-CE2 4.28Å; Y426-F436 AromaticContact CG-CZ 3.46Å; Y426-F436 HydrophobicContact CG-CZ 3.46Å; Y426-F436 VanDerWaalsContact CG-CZ 3.46Å
427	V	97.4	Very high	96.6	Very high	58 Å²	58	62.4 Å²	62.4	35%	0.352	35%	0.345	S	S	.	.	H	α-helix	trans	-62.7	-34.9	176.7	179.6	0	0	0	0	111.6	V423 E429 G430 M431 E433	V423-V427 HydrophobicContact CG1-CG2 4.1Å; V423-V427 PolarHBondContact O-N 3.23Å; V423-V427 VanDerWaalsContact O-N 3.12Å; V427-E429 PolarHBondContact O-N 2.97Å; V427-G430 PolarHBondContact O-N 3.29Å; V427-M431 WeakPolarHBondContact CA-O 3.31Å; V427-E433 HydrophobicContact CG2-CB 4.13Å
428	G	96.5	Very high	96.6	Very high	66 Å²	66	65.5 Å²	65.5	68%	0.68	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.5	174.1	0	0	0	0	0	114.4	H424 Y426 G430	H424-G428 PolarHBondContact O-N 3Å; Y426-G428 VanDerWaalsContact C-N 3.25Å; Y426-G428 PolarHBondContact O-N 3.22Å; G428-G430 VanDerWaalsContact C-N 3.33Å
429	E	96.8	Very high	96.7	Very high	40 Å²	40	61.4 Å²	61.4	19%	0.187	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	6.9	174.7	-61.5	-75.2	170.7	0	0	111.8	A122 R123 Y126 T127 W425 Y426 V427	A122-E429 HydrophobicContact CB-CB 3.84Å; R123-E429 HydrophobicContact CB-CG 4.01Å; R123-E429 IonicContact NH1-OE1 3.76Å; R123-E429 PolarHBondContact NH1-OE1 2.8Å; R123-E429 VanDerWaalsContact NH1-OE1 3.16Å; R123-E429 IonicContact NH1-OE2 2.65Å; Y126-E429 WeakPolarHBondContact CB-O 3.41Å; T127-E429 WeakPolarHBondContact CB-OE2 3.24Å; T127-E429 HydrophobicContact CG2-CB 4.09Å; T127-E429 WeakPolarHBondContact CG2-O 3.42Å; T127-E429 WeakPolarHBondContact CG2-OE2 3.44Å; T127-E429 PolarHBondContact OG1-OE2 2.94Å; W425-E429 WeakPolarHBondContact O-CG 3.37Å; Y426-E429 WeakPolarHBondContact O-CB 3.4Å; Y426-E429 PolarHBondContact O-N 3.37Å; V427-E429 PolarHBondContact O-N 2.97Å
430	G	95.3	Very high	96.7	Very high	55 Å²	55	56.3 Å²	56.3	57%	0.567	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.9	2.1	174.8	0	0	0	0	0	115.6	V427 G428	V427-G430 PolarHBondContact O-N 3.29Å; G428-G430 VanDerWaalsContact C-N 3.33Å
431	M	97.6	Very high	96.7	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.015	30%	0.298	C	S	.	.			trans	-69.5	139.1	171.8	-176.6	-177.3	160.8	0	0	110.8	A122 Y126 L207 Y426 V427 E435 F436	A122-M431 HydrophobicContact CB-CB 3.83Å; A122-M431 HydrophobicContact CB-SD 4.1Å; Y126-M431 HydrophobicContact CD2-CB 3.76Å; Y126-M431 HydrophobicContact CD2-CG 4.28Å; Y126-M431 HydrophobicContact CE2-CB 3.63Å; Y126-M431 HydrophobicContact CE2-CG 3.65Å; Y126-M431 HydrophobicContact CE2-SD 4.4Å; L207-M431 HydrophobicContact CD1-CE 3.69Å; L207-M431 HydrophobicContact CD1-SD 3.94Å; L207-M431 HydrophobicContact CD2-CE 3.32Å; L207-M431 HydrophobicContact CD2-SD 4.48Å; L207-M431 HydrophobicContact CG-CE 4.16Å; Y426-M431 HydrophobicContact CD1-SD 3.87Å; Y426-M431 HydrophobicContact CG-SD 4.39Å; Y426-M431 WeakPolarHBondContact O-CB 3.49Å; Y426-M431 PolarHBondContact O-N 3.1Å; V427-M431 WeakPolarHBondContact CA-O 3.31Å; M431-E435 HydrophobicContact CE-CB 3.49Å; M431-E435 VanDerWaalsContact CE-CB 3.49Å; M431-E435 HydrophobicContact CE-CG 4.49Å; M431-E435 HydrophobicContact CG-CB 4.44Å; M431-E435 WeakPolarHBondContact CG-OE1 3.39Å; M431-F436 HydrophobicContact CE-CD1 4.45Å; M431-F436 HydrophobicContact CE-CD2 3.66Å; M431-F436 HydrophobicContact CE-CE1 4.45Å; M431-F436 HydrophobicContact CE-CE2 3.67Å; M431-F436 HydrophobicContact CE-CG 4.09Å; M431-F436 HydrophobicContact CE-CZ 4.1Å; M431-F436 HydrophobicContact SD-CE2 4.05Å; M431-F436 HydrophobicContact SD-CZ 4.31Å
432	E	97	Very high	96.8	Very high	136 Å²	136	53.9 Å²	53.9	64%	0.636	30%	0.296	S	S	*	.			trans	-76.8	141.4	176.2	-63.2	-170	176.3	0	0	111.1	A434 E435	E432-A434 PolarHBondContact O-N 2.8Å; E432-E435 HydrophobicContact CB-CG 4.23Å; E432-E435 PolarHBondContact N-OE1 3.12Å; E432-E435 WeakPolarHBondContact O-CB 3.2Å; E432-E435 PolarHBondContact O-N 2.72Å
433	E	95.4	Very high	96.8	Very high	64 Å²	64	51 Å²	51	30%	0.299	28%	0.284	S	S	.	.	H	α-helix	trans	-65.3	-26.9	-179.1	-169.6	176	154.6	0	0	112.5	R420 V423 V427 E435 F436	R420-E433 IonicContact CZ-OE1 3.41Å; R420-E433 IonicContact CZ-OE2 3.71Å; R420-E433 IonicContact NH1-OE1 3.16Å; R420-E433 PolarHBondContact NH1-OE1 3.01Å; R420-E433 IonicContact NH1-OE2 2.84Å; R420-E433 IonicContact NH2-OE1 3.84Å; R420-E433 PolarHBondContact NH2-OE1 3.16Å; R420-E433 IonicContact NH2-OE2 3.85Å; R420-E433 PolarHBondContact NH2-OE2 2.63Å; V423-E433 HydrophobicContact CG1-CG 4.17Å; V427-E433 HydrophobicContact CG2-CB 4.13Å; E433-E435 VanDerWaalsContact C-N 3.27Å; E433-E435 PolarHBondContact O-N 2.89Å; E433-F436 PolarHBondContact O-N 2.92Å
434	A	96.6	Very high	96.8	Very high	47 Å²	47	54.1 Å²	54.1	39%	0.388	30%	0.3	S	S	.	.	H	α-helix	trans	-62.2	-33.9	178.4	0	0	0	0	0	112.5	E432 F436 A437 E438	E432-A434 PolarHBondContact O-N 2.8Å; A434-F436 PolarHBondContact O-N 2.91Å; A434-F436 VanDerWaalsContact O-N 3.17Å; A434-A437 WeakPolarHBondContact O-CB 3.48Å; A434-A437 PolarHBondContact O-N 3.22Å; A434-E438 PolarHBondContact O-N 3.21Å
435	E	97.4	Very high	96.8	Very high	30 Å²	30	49.8 Å²	49.8	14%	0.14	29%	0.286	C	S	.	.	H	α-helix	trans	-59.6	-30.3	-179.9	-65.5	176.6	-121	0	0	112.6	Y126 M431 E432 E433 A437 A439	Y126-E435 PolarHBondContact OH-OE1 3.06Å; Y126-E435 PolarHBondContact OH-OE2 3.08Å; M431-E435 HydrophobicContact CE-CB 3.49Å; M431-E435 VanDerWaalsContact CE-CB 3.49Å; M431-E435 HydrophobicContact CE-CG 4.49Å; M431-E435 HydrophobicContact CG-CB 4.44Å; M431-E435 WeakPolarHBondContact CG-OE1 3.39Å; E432-E435 HydrophobicContact CB-CG 4.23Å; E432-E435 PolarHBondContact N-OE1 3.12Å; E432-E435 WeakPolarHBondContact O-CB 3.2Å; E432-E435 PolarHBondContact O-N 2.72Å; E433-E435 VanDerWaalsContact C-N 3.27Å; E433-E435 PolarHBondContact O-N 2.89Å; E435-A437 VanDerWaalsContact C-N 3.35Å; E435-A439 WeakPolarHBondContact O-CB 3.44Å; E435-A439 PolarHBondContact O-N 3.03Å
436	F	97.7	Very high	96.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.8	-42.8	173.6	-78.1	-84.4	0	0	0	112.1	Y203 L207 F413 Y417 V423 Y426 M431 E433 A434 R440	Y203-F436 HydrophobicContact CD1-CD1 4.28Å; Y203-F436 HydrophobicContact CD1-CE1 4.03Å; Y203-F436 AromaticContact CD2-CE1 3.81Å; Y203-F436 HydrophobicContact CD2-CE1 3.81Å; Y203-F436 HydrophobicContact CD2-CZ 4.47Å; Y203-F436 HydrophobicContact CE1-CD1 4.43Å; Y203-F436 HydrophobicContact CE1-CE1 4.31Å; Y203-F436 HydrophobicContact CE2-CE1 4.09Å; Y203-F436 HydrophobicContact CG-CD1 4.44Å; Y203-F436 AromaticContact CG-CE1 3.76Å; Y203-F436 HydrophobicContact CG-CE1 3.76Å; L207-F436 HydrophobicContact CD1-CE1 4.31Å; F413-F436 HydrophobicContact CE2-CD1 4.02Å; F413-F436 HydrophobicContact CZ-CB 4.07Å; F413-F436 AromaticContact CZ-CD1 3.75Å; F413-F436 HydrophobicContact CZ-CD1 3.75Å; F413-F436 HydrophobicContact CZ-CG 4.43Å; F413-F436 VanDerWaalsContact CZ-O 3.31Å; F413-F436 WeakPolarHBondContact CZ-O 3.14Å; Y417-F436 HydrophobicContact CD2-CB 4.07Å; Y417-F436 HydrophobicContact CD2-CD1 4.27Å; Y417-F436 HydrophobicContact CD2-CG 4.24Å; Y417-F436 HydrophobicContact CE2-CB 3.47Å; Y417-F436 VanDerWaalsContact CE2-CB 3.47Å; Y417-F436 HydrophobicContact CE2-CD1 4.3Å; Y417-F436 HydrophobicContact CE2-CD2 4.33Å; Y417-F436 AromaticContact CE2-CG 3.82Å; Y417-F436 HydrophobicContact CE2-CG 3.82Å; V423-F436 HydrophobicContact CG1-CE2 4.12Å; Y426-F436 VanDerWaalsContact CB-CZ 3.47Å; Y426-F436 HydrophobicContact CD1-CE1 4.32Å; Y426-F436 AromaticContact CD1-CZ 3.79Å; Y426-F436 HydrophobicContact CD1-CZ 3.79Å; Y426-F436 AromaticContact CD2-CZ 3.9Å; Y426-F436 HydrophobicContact CD2-CZ 3.9Å; Y426-F436 HydrophobicContact CG-CE1 4.3Å; Y426-F436 HydrophobicContact CG-CE2 4.28Å; Y426-F436 AromaticContact CG-CZ 3.46Å; Y426-F436 HydrophobicContact CG-CZ 3.46Å; Y426-F436 VanDerWaalsContact CG-CZ 3.46Å; M431-F436 HydrophobicContact CE-CD1 4.45Å; M431-F436 HydrophobicContact CE-CD2 3.66Å; M431-F436 HydrophobicContact CE-CE1 4.45Å; M431-F436 HydrophobicContact CE-CE2 3.67Å; M431-F436 HydrophobicContact CE-CG 4.09Å; M431-F436 HydrophobicContact CE-CZ 4.1Å; M431-F436 HydrophobicContact SD-CE2 4.05Å; M431-F436 HydrophobicContact SD-CZ 4.31Å; E433-F436 PolarHBondContact O-N 2.92Å; A434-F436 PolarHBondContact O-N 2.91Å; A434-F436 VanDerWaalsContact O-N 3.17Å; F436-R440 WeakPolarHBondContact O-CB 3.17Å; F436-R440 PolarHBondContact O-N 3.06Å
437	A	96	Very high	96.6	Very high	30 Å²	30	45 Å²	45	25%	0.248	27%	0.269	C	S	.	.	H	α-helix	trans	-71.2	-43.9	-179.5	0	0	0	0	0	110.3	A434 E435 R440 D441	A434-A437 WeakPolarHBondContact O-CB 3.48Å; A434-A437 PolarHBondContact O-N 3.22Å; E435-A437 VanDerWaalsContact C-N 3.35Å; A437-R440 PolarHBondContact O-N 3.25Å; A437-D441 WeakPolarHBondContact O-CB 3.33Å; A437-D441 PolarHBondContact O-N 2.81Å
438	E	97.1	Very high	96.6	Very high	108 Å²	108	48.1 Å²	48.1	51%	0.505	28%	0.278	S	S	.	.	H	α-helix	trans	-59.6	-50.2	177.1	-68.1	174.5	-166.4	0	0	111.6	A434 R440 D441 D442	A434-E438 PolarHBondContact O-N 3.21Å; E438-R440 VanDerWaalsContact C-N 3.31Å; E438-R440 PolarHBondContact O-N 3.25Å; E438-D441 PolarHBondContact O-N 3.25Å; E438-D442 WeakPolarHBondContact O-CB 3.26Å; E438-D442 PolarHBondContact O-N 3.13Å
439	A	97.2	Very high	96.5	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.008	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-37.7	179.8	0	0	0	0	0	112.9	V206 L207 H210 E435 L443	V206-A439 HydrophobicContact CG1-CB 3.88Å; L207-A439 HydrophobicContact CD2-CB 3.76Å; H210-A439 HydrophobicContact CB-CB 3.47Å; H210-A439 VanDerWaalsContact CB-CB 3.47Å; E435-A439 WeakPolarHBondContact O-CB 3.44Å; E435-A439 PolarHBondContact O-N 3.03Å; A439-L443 PolarHBondContact O-N 3.48Å; A439-L443 VanDerWaalsContact O-N 3.08Å
440	R	96.5	Very high	96.4	Very high	68 Å²	68	45.2 Å²	45.2	26%	0.257	25%	0.248	S	C	.	.	H	α-helix	trans	-65.8	-45.8	174.9	-173.5	-161.3	66.2	-167.3	-4.9	111.5	N410 F413 F436 A437 E438 D442 L443 L444	N410-R440 WeakPolarHBondContact OD1-CG 3.42Å; F413-R440 HydrophobicContact CD1-CB 4.14Å; F413-R440 HydrophobicContact CD1-CG 3.87Å; F413-R440 HydrophobicContact CE1-CB 3.7Å; F413-R440 HydrophobicContact CE1-CG 3.89Å; F413-R440 HydrophobicContact CZ-CB 4.18Å; F436-R440 WeakPolarHBondContact O-CB 3.17Å; F436-R440 PolarHBondContact O-N 3.06Å; A437-R440 PolarHBondContact O-N 3.25Å; E438-R440 VanDerWaalsContact C-N 3.31Å; E438-R440 PolarHBondContact O-N 3.25Å; R440-D442 VanDerWaalsContact C-N 3.29Å; R440-D442 PolarHBondContact O-N 2.81Å; R440-L443 PolarHBondContact O-N 3.23Å; R440-L444 WeakPolarHBondContact O-CG 3.38Å; R440-L444 PolarHBondContact O-N 3.44Å
441	D	96.8	Very high	96.3	Very high	78 Å²	78	46.3 Å²	46.3	42%	0.417	24%	0.238	S	C	.	.	H	α-helix	trans	-68.1	-33.9	-178.1	-68.4	-4.4	0	0	0	110.7	A437 E438 L444 A445	A437-D441 WeakPolarHBondContact O-CB 3.33Å; A437-D441 PolarHBondContact O-N 2.81Å; E438-D441 PolarHBondContact O-N 3.25Å; D441-L444 WeakPolarHBondContact O-CB 3.25Å; D441-L444 PolarHBondContact O-N 3.42Å; D441-A445 PolarHBondContact O-N 2.84Å
442	D	96.6	Very high	96.1	Very high	38 Å²	38	52.7 Å²	52.7	20%	0.203	27%	0.268	C	S	.	.	H	α-helix	trans	-64.5	-41.6	170.8	-109.6	-32	0	0	0	112.9	H210 L213 R282 E438 R440 L444 A445 L446	H210-D442 IonicContact CE1-OD2 3.2Å; H210-D442 PolarHBondContact CE1-OD2 2.89Å; H210-D442 IonicContact ND1-OD2 2.97Å; H210-D442 PolarHBondContact ND1-OD2 2.94Å; L213-D442 HydrophobicContact CD1-CB 4.38Å; R282-D442 IonicContact CZ-OD1 3.78Å; R282-D442 IonicContact NH1-OD1 3.87Å; R282-D442 PolarHBondContact NH1-OD1 3.23Å; R282-D442 PolarHBondContact NH2-O 3.15Å; R282-D442 IonicContact NH2-OD1 2.79Å; R282-D442 PolarHBondContact NH2-OD1 2.75Å; E438-D442 WeakPolarHBondContact O-CB 3.26Å; E438-D442 PolarHBondContact O-N 3.13Å; R440-D442 VanDerWaalsContact C-N 3.29Å; R440-D442 PolarHBondContact O-N 2.81Å; D442-L444 VanDerWaalsContact C-N 3.32Å; D442-A445 WeakPolarHBondContact O-CB 3.42Å; D442-A445 PolarHBondContact O-N 3.32Å; D442-L446 PolarHBondContact O-N 3.24Å
443	L	96.4	Very high	95.7	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-65.6	-37.7	175	-175.1	61.6	0	0	0	111.4	V206 T209 W406 L409 N410 A439 R440 A445 L446 E447	V206-L443 HydrophobicContact CG1-CD2 4.5Å; V206-L443 HydrophobicContact CG2-CD2 3.78Å; T209-L443 HydrophobicContact CG2-CD1 4.08Å; W406-L443 HydrophobicContact CB-CD1 4.07Å; W406-L443 HydrophobicContact CD2-CD1 4.13Å; W406-L443 HydrophobicContact CE3-CD1 3.82Å; W406-L443 HydrophobicContact CG-CD1 4.2Å; L409-L443 HydrophobicContact CD2-CD2 4.03Å; L409-L443 HydrophobicContact CG-CD2 4.35Å; N410-L443 HydrophobicContact CB-CD2 4.03Å; A439-L443 PolarHBondContact O-N 3.48Å; A439-L443 VanDerWaalsContact O-N 3.08Å; R440-L443 PolarHBondContact O-N 3.23Å; L443-A445 VanDerWaalsContact C-N 3.33Å; L443-L446 HydrophobicContact CD1-CD2 4.1Å; L443-L446 WeakPolarHBondContact O-CB 3Å; L443-L446 PolarHBondContact O-N 3.39Å; L443-E447 WeakPolarHBondContact O-CG 3.27Å; L443-E447 PolarHBondContact O-N 3.23Å
444	L	96.7	Very high	95.3	Very high	69 Å²	69	44.6 Å²	44.6	36%	0.361	24%	0.235	S	C	.	.	H	α-helix	trans	-64.1	-38.1	172.6	-72.6	172.4	0	0	0	112.1	N410 R440 D441 D442 E447 K448	N410-L444 WeakPolarHBondContact ND2-CD2 3.28Å; N410-L444 VanDerWaalsContact ND2-CG 3.29Å; N410-L444 WeakPolarHBondContact ND2-CG 3.47Å; R440-L444 WeakPolarHBondContact O-CG 3.38Å; R440-L444 PolarHBondContact O-N 3.44Å; D441-L444 WeakPolarHBondContact O-CB 3.25Å; D441-L444 PolarHBondContact O-N 3.42Å; D442-L444 VanDerWaalsContact C-N 3.32Å; L444-E447 PolarHBondContact O-N 2.88Å; L444-K448 WeakPolarHBondContact O-CG 3.31Å; L444-K448 PolarHBondContact O-N 3.43Å
445	A	96.7	Very high	94.7	Very high	35 Å²	35	47 Å²	47	29%	0.289	25%	0.245	S	C	.	.	H	α-helix	trans	-65.2	-42.1	173.4	0	0	0	0	0	110.9	D441 D442 L443 E447 K448 D449	D441-A445 PolarHBondContact O-N 2.84Å; D442-A445 WeakPolarHBondContact O-CB 3.42Å; D442-A445 PolarHBondContact O-N 3.32Å; L443-A445 VanDerWaalsContact C-N 3.33Å; A445-E447 VanDerWaalsContact C-N 3.33Å; A445-E447 PolarHBondContact O-N 3.15Å; A445-K448 WeakPolarHBondContact O-CB 3.34Å; A445-K448 PolarHBondContact O-N 3.49Å; A445-K448 VanDerWaalsContact O-N 3.11Å; A445-D449 VanDerWaalsContact O-CG 3.23Å; A445-D449 PolarHBondContact O-N 3.48Å
446	L	96.2	Very high	93.3	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.6	-40.6	175.2	-177.4	64.8	0	0	0	112.4	T209 L213 R282 F285 D442 L443 K448 D449 Y450	T209-L446 HydrophobicContact CG2-CD2 4.18Å; L213-L446 HydrophobicContact CD2-CD1 4.36Å; L213-L446 HydrophobicContact CD2-CD2 4.38Å; R282-L446 HydrophobicContact CB-CD1 4.2Å; R282-L446 WeakPolarHBondContact O-CD1 3.18Å; F285-L446 HydrophobicContact CD2-CD2 4.09Å; F285-L446 HydrophobicContact CE2-CD1 4.35Å; F285-L446 HydrophobicContact CE2-CD2 3.63Å; F285-L446 HydrophobicContact CZ-CD2 4.45Å; D442-L446 PolarHBondContact O-N 3.24Å; L443-L446 HydrophobicContact CD1-CD2 4.1Å; L443-L446 WeakPolarHBondContact O-CB 3Å; L443-L446 PolarHBondContact O-N 3.39Å; L446-K448 VanDerWaalsContact C-N 3.29Å; L446-K448 PolarHBondContact O-N 2.95Å; L446-D449 PolarHBondContact O-N 3.21Å; L446-Y450 HydrophobicContact CD1-CD2 3.97Å; L446-Y450 HydrophobicContact CD1-CE2 3.8Å; L446-Y450 HydrophobicContact CG-CD2 4.11Å; L446-Y450 HydrophobicContact CG-CE2 4.14Å; L446-Y450 WeakPolarHBondContact O-CD2 3.45Å; L446-Y450 PolarHBondContact O-N 2.9Å; L446-Y450 VanDerWaalsContact O-N 3.17Å
447	E	95.8	Very high	91.3	Very high	18 Å²	18	54.7 Å²	54.7	8%	0.084	29%	0.288	C	S	.	.	H	α-helix	trans	-55.6	-46.2	173.1	-73.7	172.3	-145.1	0	0	111.3	V403 W406 R407 N410 L443 L444 A445 Y450 E451	V403-E447 HydrophobicContact CG1-CB 4.46Å; V403-E447 HydrophobicContact CG1-CG 4.49Å; W406-E447 HydrophobicContact CB-CG 3.61Å; R407-E447 HydrophobicContact CG-CG 4.27Å; R407-E447 WeakPolarHBondContact CG-OE2 3.46Å; N410-E447 WeakPolarHBondContact CB-OE1 3.46Å; N410-E447 PolarHBondContact ND2-OE1 3.14Å; L443-E447 WeakPolarHBondContact O-CG 3.27Å; L443-E447 PolarHBondContact O-N 3.23Å; L444-E447 PolarHBondContact O-N 2.88Å; A445-E447 VanDerWaalsContact C-N 3.33Å; A445-E447 PolarHBondContact O-N 3.15Å; E447-Y450 PolarHBondContact O-N 3.36Å; E447-E451 WeakPolarHBondContact O-CG 3.39Å; E447-E451 PolarHBondContact O-N 3.09Å
448	K	96	Very high	88.9	Confident	123 Å²	123	64 Å²	64	54%	0.535	32%	0.316	S	S	.	.	H	α-helix	trans	-66	-42.4	177.5	-66.9	174.8	-177.2	176.9	0	112.4	L444 A445 L446 Y450 E451 E452	L444-K448 WeakPolarHBondContact O-CG 3.31Å; L444-K448 PolarHBondContact O-N 3.43Å; A445-K448 WeakPolarHBondContact O-CB 3.34Å; A445-K448 PolarHBondContact O-N 3.49Å; A445-K448 VanDerWaalsContact O-N 3.11Å; L446-K448 VanDerWaalsContact C-N 3.29Å; L446-K448 PolarHBondContact O-N 2.95Å; K448-Y450 PolarHBondContact O-N 3.31Å; K448-E451 WeakPolarHBondContact O-CB 3.38Å; K448-E451 PolarHBondContact O-N 2.82Å; K448-E452 WeakPolarHBondContact O-CB 3.36Å; K448-E452 WeakPolarHBondContact O-CG 3.38Å; K448-E452 PolarHBondContact O-N 3.22Å
449	D	95.3	Very high	86.6	Confident	44 Å²	44	68.8 Å²	68.8	24%	0.235	33%	0.331	C	S	.	.	H	α-helix	trans	-54.4	-44.5	177.8	-65.7	-25.5	0	0	0	110.7	R282 I283 A445 L446 V453	R282-D449 WeakPolarHBondContact CD-OD2 3.46Å; R282-D449 IonicContact CZ-OD2 3.75Å; R282-D449 IonicContact NE-OD2 3.85Å; R282-D449 PolarHBondContact NE-OD2 3.31Å; I283-D449 HydrophobicContact CD1-CB 4.11Å; I283-D449 HydrophobicContact CG1-CB 4.21Å; A445-D449 VanDerWaalsContact O-CG 3.23Å; A445-D449 PolarHBondContact O-N 3.48Å; L446-D449 PolarHBondContact O-N 3.21Å; D449-V453 WeakPolarHBondContact O-CG2 3.47Å; D449-V453 PolarHBondContact O-N 3.31Å
450	Y	94.9	Very high	83.9	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-71.4	-35.6	176.4	-88.3	-80.9	0	0	0	113.7	I283 F285 I331 N398 T400 I402 V403 W406 L446 E447 K448 G454	I283-Y450 HydrophobicContact CB-CE1 4.46Å; I283-Y450 HydrophobicContact CB-CE2 4.37Å; I283-Y450 HydrophobicContact CG1-CD2 4.45Å; I283-Y450 HydrophobicContact CG1-CE2 4.34Å; I283-Y450 HydrophobicContact CG2-CD1 3.85Å; I283-Y450 HydrophobicContact CG2-CE1 3.29Å; I283-Y450 HydrophobicContact CG2-CE2 4Å; I283-Y450 HydrophobicContact CG2-CG 4.43Å; F285-Y450 HydrophobicContact CD2-CE2 4.4Å; F285-Y450 PolarHBondContact N-OH 3.36Å; I331-Y450 HydrophobicContact CD1-CD1 4.27Å; I331-Y450 HydrophobicContact CD1-CE1 4.21Å; N398-Y450 WeakPolarHBondContact OD1-CE1 3.42Å; N398-Y450 PolarHBondContact OD1-OH 3.34Å; T400-Y450 VanDerWaalsContact CG2-O 3.27Å; T400-Y450 WeakPolarHBondContact CG2-O 3.42Å; I402-Y450 HydrophobicContact CG2-CD1 3.82Å; I402-Y450 HydrophobicContact CG2-CD2 4.32Å; I402-Y450 HydrophobicContact CG2-CE1 3.43Å; I402-Y450 VanDerWaalsContact CG2-CE1 3.43Å; I402-Y450 HydrophobicContact CG2-CE2 4.01Å; I402-Y450 HydrophobicContact CG2-CG 4.24Å; V403-Y450 HydrophobicContact CG2-CG 3.91Å; W406-Y450 AromaticContact NE1-CE2 3.81Å; L446-Y450 HydrophobicContact CD1-CD2 3.97Å; L446-Y450 HydrophobicContact CD1-CE2 3.8Å; L446-Y450 HydrophobicContact CG-CD2 4.11Å; L446-Y450 HydrophobicContact CG-CE2 4.14Å; L446-Y450 WeakPolarHBondContact O-CD2 3.45Å; L446-Y450 PolarHBondContact O-N 2.9Å; L446-Y450 VanDerWaalsContact O-N 3.17Å; E447-Y450 PolarHBondContact O-N 3.36Å; K448-Y450 PolarHBondContact O-N 3.31Å; Y450-G454 PolarHBondContact O-N 3.02Å
451	E	93.1	Very high	81.1	Confident	78 Å²	78	77 Å²	77	36%	0.364	39%	0.387	S	S	.	.	H	α-helix	trans	-63.2	-48.8	174.5	-74.7	170.7	-161.8	0	0	111.1	V403 R407 E447 K448 V453 G454 V455	V403-E451 HydrophobicContact CG1-CG 4.43Å; R407-E451 IonicContact CZ-OE1 3.42Å; R407-E451 IonicContact NE-OE1 3.46Å; R407-E451 PolarHBondContact NE-OE1 3.47Å; R407-E451 VanDerWaalsContact NH2-CD 3.33Å; R407-E451 IonicContact NH2-OE1 2.74Å; R407-E451 PolarHBondContact NH2-OE1 3.04Å; E447-E451 WeakPolarHBondContact O-CG 3.39Å; E447-E451 PolarHBondContact O-N 3.09Å; K448-E451 WeakPolarHBondContact O-CB 3.38Å; K448-E451 PolarHBondContact O-N 2.82Å; E451-V453 VanDerWaalsContact C-N 3.31Å; E451-V453 PolarHBondContact O-N 3.27Å; E451-G454 WeakPolarHBondContact O-CA 3.18Å; E451-G454 PolarHBondContact O-N 3.16Å; E451-V455 WeakPolarHBondContact O-CG2 3.29Å; E451-V455 PolarHBondContact O-N 3.37Å; E451-V455 VanDerWaalsContact O-N 3.16Å
452	E	92.1	Very high	78.3	Confident	137 Å²	137	78.2 Å²	78.2	64%	0.64	40%	0.402	S	S	*	.	H	α-helix	trans	-59.8	-41.2	179.7	-73	179.6	-171.9	0	0	111.6	K448 G454 V455	K448-E452 WeakPolarHBondContact O-CB 3.36Å; K448-E452 WeakPolarHBondContact O-CG 3.38Å; K448-E452 PolarHBondContact O-N 3.22Å; E452-G454 PolarHBondContact O-N 2.97Å; E452-V455 PolarHBondContact O-N 3.49Å; E452-V455 VanDerWaalsContact O-N 3.14Å
453	V	89.9	Confident	75.5	Confident	12 Å²	12	80.8 Å²	80.8	7%	0.073	42%	0.423	C	S	.	.	H	α-helix	trans	-60.2	-32.7	173.6	157.4	0	0	0	0	113	Y280 I283 I331 V362 W364 T400 D449 E451	Y280-V453 HydrophobicContact CD2-CG2 4.02Å; Y280-V453 HydrophobicContact CE2-CG2 3.79Å; I283-V453 HydrophobicContact CD1-CB 4.29Å; I283-V453 HydrophobicContact CD1-CG2 3.49Å; I283-V453 VanDerWaalsContact CD1-CG2 3.49Å; I331-V453 HydrophobicContact CD1-CG1 3.55Å; I331-V453 HydrophobicContact CG1-CG1 3.66Å; V362-V453 HydrophobicContact CG1-CG1 4.38Å; W364-V453 HydrophobicContact CZ2-CG1 3.86Å; T400-V453 HydrophobicContact CG2-CG1 4.02Å; D449-V453 WeakPolarHBondContact O-CG2 3.47Å; D449-V453 PolarHBondContact O-N 3.31Å; E451-V453 VanDerWaalsContact C-N 3.31Å; E451-V453 PolarHBondContact O-N 3.27Å
454	G	86.5	Confident	72.7	Confident	18 Å²	18	88.2 Å²	88.2	19%	0.186	46%	0.463	C	S	.	.	H	α-helix	trans	-79.1	-19.8	177.9	0	0	0	0	0	114.3	Y450 E451 E452	Y450-G454 PolarHBondContact O-N 3.02Å; E451-G454 WeakPolarHBondContact O-CA 3.18Å; E451-G454 PolarHBondContact O-N 3.16Å; E452-G454 PolarHBondContact O-N 2.97Å
455	V	84.4	Confident	69.9	Low	98 Å²	98	91.4 Å²	91.4	59%	0.594	48%	0.48	S	S	*	.	S	Bend	trans	-76.4	129.6	178.2	176.5	0	0	0	0	109.1	E451 E452	E451-V455 WeakPolarHBondContact O-CG2 3.29Å; E451-V455 PolarHBondContact O-N 3.37Å; E451-V455 VanDerWaalsContact O-N 3.16Å; E452-V455 PolarHBondContact O-N 3.49Å; E452-V455 VanDerWaalsContact O-N 3.14Å
456	E	67.1	Low	67.4	Low	114 Å²	114	93.3 Å²	93.3	53%	0.533	50%	0.503	S	S	.	.			trans	-65.2	127.5	172.5	-59.4	179	-174.5	0	0	107.9	K329 D363 R458	K329-E456 IonicContact NZ-OE1 2.82Å; K329-E456 PolarHBondContact NZ-OE1 3.17Å; D363-E456 WeakPolarHBondContact OD2-CG 3.19Å; E456-R458 PolarHBondContact O-N 3.05Å
457	P	56.6	Low	64.7	Low	78 Å²	78	101.1 Å²	101.1	51%	0.506	54%	0.539	S	S	.	.			trans	-57.8	113.6	170.8	19.2	-24.8	0	0	0	106.7	Y459	P457-Y459 VanDerWaalsContact C-N 3.32Å; P457-Y459 PolarHBondContact O-N 2.67Å
458	R	46.1	Very low	62.2	Low	224 Å²	224	114 Å²	114	85%	0.845	59%	0.589	S	S	*	*			trans	-57.7	105.1	168.5	-74.8	-177	178.1	178.4	0.1	105.2	E456 E460	E456-R458 PolarHBondContact O-N 3.05Å; R458-E460 PolarHBondContact O-N 3.49Å
459	Y	47.3	Very low	60.6	Low	209 Å²	209	113.6 Å²	113.6	82%	0.82	59%	0.592	S	S	*	*			trans	-62.8	89.5	162.1	-84.2	-90.2	0	0	0	106.4	P457 G461	P457-Y459 VanDerWaalsContact C-N 3.32Å; P457-Y459 PolarHBondContact O-N 2.67Å; Y459-G461 PolarHBondContact O-N 3.36Å
460	E	41.5	Very low	58.7	Low	188 Å²	188	117.3 Å²	117.3	88%	0.879	61%	0.611	S	S	*	*			trans	-69.3	78.6	156.2	-72.9	-171.3	177.8	0	0	106.2	R458	R458-E460 PolarHBondContact O-N 3.49Å
461	G	36.7	Very low	56.7	Low	54 Å²	54	123.8 Å²	123.8	56%	0.557	65%	0.645	S	S	*	*			trans	179.8	36.2	-167.9	0	0	0	0	0	115.2	Y459	Y459-G461 PolarHBondContact O-N 3.36Å
462	S	38.9	Very low	54.6	Low	104 Å²	104	126.5 Å²	126.5	73%	0.727	66%	0.661	S	S	*	*			trans	-137	59	148	72.4	0	0	0	0	108.5	D464	S462-D464 PolarHBondContact O-N 2.65Å
463	S	37.5	Very low	52.2	Low	92 Å²	92	125.8 Å²	125.8	64%	0.643	66%	0.663	S	S	*	*			trans	-63.1	83.2	144.2	48.3	0	0	0	0	106.5	D465	S463-D465 PolarHBondContact O-N 2.83Å
464	D	38	Very low	49.7	Very low	158 Å²	158	133.4 Å²	133.4	85%	0.845	70%	0.702	S	S	*	*			trans	-69.7	72.2	152.6	-98.4	-19.3	0	0	0	106.2	S462 G466	S462-D464 PolarHBondContact O-N 2.65Å; D464-G466 PolarHBondContact O-N 3.3Å
465	D	38.3	Very low	47.1	Very low	136 Å²	136	141.6 Å²	141.6	73%	0.727	74%	0.739	S	S	*	*			trans	-70.4	72.2	154.7	-71.7	-36.1	0	0	0	106.5	S463 E467	S463-D465 PolarHBondContact O-N 2.83Å; D465-E467 PolarHBondContact O-N 2.74Å; D465-E467 VanDerWaalsContact O-N 3.14Å
466	G	43.6	Very low	44.2	Very low	74 Å²	74	145 Å²	145	76%	0.763	75%	0.75	S	S	*	*			trans	-78.1	68.2	157.6	0	0	0	0	0	108.5	D464 Y468	D464-G466 PolarHBondContact O-N 3.3Å; G466-Y468 PolarHBondContact O-N 2.69Å
467	E	40	Very low	42.3	Very low	164 Å²	164	147.6 Å²	147.6	77%	0.766	77%	0.768	S	S	*	*			trans	-67.2	113.8	162.7	-82.5	-168.5	154.4	0	0	109	D465	D465-E467 PolarHBondContact O-N 2.74Å; D465-E467 VanDerWaalsContact O-N 3.14Å
468	Y	43.5	Very low	41	Very low	290 Å²	290	153.9 Å²	153.9	100%	1.137	79%	0.792	S	S	*	*			trans	53.9	0	153.4	-65.8	-79.9	0	0	0	120.5	G466	G466-Y468 PolarHBondContact O-N 2.69Å

Retrieved 468 of 468 residues in 313.7 ms (Link to these results)

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