A0A077Z4W8_TRITR Loading...

Glycerol-3-phosphate dehydrogenase

AlphaFold DB , UniProt , Accession A0A077Z4W8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 709 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.9	Very low	31.4	Very low	224 Å²	224	142 Å²	142	100%	1.103	78%	0.781	S	S	*	*				0	99.6	0	-75.1	176.8	174.2	0	0	108.2	F3	M1-F3 PolarHBondContact O-N 3.02Å
2	C	29.7	Very low	31.8	Very low	132 Å²	132	143.3 Å²	143.3	89%	0.892	78%	0.777	S	S	*	*			trans	-80.9	102.7	-178.6	-63.9	0	0	0	0	109.5	A4	C2-A4 VanDerWaalsContact C-N 3.25Å; C2-A4 PolarHBondContact O-N 3.04Å
3	F	32.6	Very low	32	Very low	200 Å²	200	136.3 Å²	136.3	88%	0.877	75%	0.745	S	S	*	*			trans	-74.1	84.8	165.8	-84.6	-86.8	0	0	0	108.8	M1 G5	M1-F3 PolarHBondContact O-N 3.02Å; F3-G5 PolarHBondContact O-N 3.43Å
4	A	32.8	Very low	31.9	Very low	93 Å²	93	130.2 Å²	130.2	77%	0.769	72%	0.722	S	S	*	*			trans	-71.9	74.2	161.3	0	0	0	0	0	108.3	C2 K6	C2-A4 VanDerWaalsContact C-N 3.25Å; C2-A4 PolarHBondContact O-N 3.04Å; A4-K6 PolarHBondContact O-N 3.1Å
5	G	28.8	Very low	32	Very low	60 Å²	60	126.5 Å²	126.5	62%	0.619	70%	0.704	S	S	*	*			trans	-65.5	100.1	167.6	0	0	0	0	0	108.2	F3 V7	F3-G5 PolarHBondContact O-N 3.43Å; G5-V7 VanDerWaalsContact C-N 3.3Å; G5-V7 PolarHBondContact O-N 2.76Å
6	K	27.7	Very low	32.1	Very low	205 Å²	205	129.9 Å²	129.9	89%	0.891	71%	0.705	S	S	*	*			trans	-57.5	97.9	162.6	-86	-179.3	173.5	177.7	0	107.2	A4 S8	A4-K6 PolarHBondContact O-N 3.1Å; K6-S8 VanDerWaalsContact C-N 3.28Å; K6-S8 PolarHBondContact O-N 3.2Å
7	V	29.8	Very low	31.9	Very low	114 Å²	114	129.5 Å²	129.5	69%	0.691	70%	0.695	S	S	*	*			trans	-69.9	95.2	164	-179.9	0	0	0	0	105.6	G5 Y9	G5-V7 VanDerWaalsContact C-N 3.3Å; G5-V7 PolarHBondContact O-N 2.76Å; V7-Y9 HydrophobicContact CG1-CD2 4.13Å; V7-Y9 HydrophobicContact CG1-CE2 3.99Å; V7-Y9 PolarHBondContact O-N 3.12Å
8	S	27.8	Very low	31.8	Very low	107 Å²	107	128.1 Å²	128.1	75%	0.748	69%	0.687	S	S	*	*			trans	-66.2	99.1	169	56.7	0	0	0	0	107.5	K6 S10	K6-S8 VanDerWaalsContact C-N 3.28Å; K6-S8 PolarHBondContact O-N 3.2Å; S8-S10 PolarHBondContact O-N 3.16Å; S8-S10 VanDerWaalsContact O-N 3.07Å
9	Y	29.6	Very low	32	Very low	192 Å²	192	126.1 Å²	126.1	75%	0.753	68%	0.675	S	S	*	*			trans	-65.2	104.4	162.1	-83.3	-90.9	0	0	0	106.8	V7 E11	V7-Y9 HydrophobicContact CG1-CD2 4.13Å; V7-Y9 HydrophobicContact CG1-CE2 3.99Å; V7-Y9 PolarHBondContact O-N 3.12Å; Y9-E11 PolarHBondContact O-N 3.34Å
10	S	34.7	Very low	32.4	Very low	63 Å²	63	122.4 Å²	122.4	44%	0.441	66%	0.663	S	S	.	*			trans	-64.5	128.1	169.5	59.4	0	0	0	0	107.9	S8 E12 S13	S8-S10 PolarHBondContact O-N 3.16Å; S8-S10 VanDerWaalsContact O-N 3.07Å; S10-E12 PolarHBondContact O-N 2.96Å; S10-E12 VanDerWaalsContact O-N 3.09Å; S10-S13 PolarHBondContact O-N 3.23Å; S10-S13 PolarHBondContact O-OG 2.72Å
11	E	37.3	Very low	32.8	Very low	172 Å²	172	121.7 Å²	121.7	80%	0.804	65%	0.652	S	S	*	*	H	α-helix	trans	-52.2	-30.8	176.1	-80.7	-178.5	144	0	0	111.8	Y9 S13 A14 T15	Y9-E11 PolarHBondContact O-N 3.34Å; E11-S13 VanDerWaalsContact C-N 3.31Å; E11-S13 PolarHBondContact O-N 2.7Å; E11-A14 PolarHBondContact O-N 3.43Å; E11-T15 PolarHBondContact O-N 2.98Å; E11-T15 PolarHBondContact O-OG1 2.73Å
12	E	35.4	Very low	33.2	Very low	158 Å²	158	116.3 Å²	116.3	74%	0.738	62%	0.624	S	S	*	*	H	α-helix	trans	-58.4	-37.9	176.1	-73.4	-174.5	147.4	0	0	113.4	S10 T15 Y16	S10-E12 PolarHBondContact O-N 2.96Å; S10-E12 VanDerWaalsContact O-N 3.09Å; E12-T15 WeakPolarHBondContact CA-OG1 3.2Å; E12-T15 PolarHBondContact O-N 3.2Å; E12-Y16 PolarHBondContact O-N 3.17Å
13	S	34.5	Very low	34	Very low	52 Å²	52	116.9 Å²	116.9	36%	0.364	61%	0.611	S	S	.	*	H	α-helix	trans	-70.4	-35.7	179.1	67.4	0	0	0	0	112.1	S10 E11 F17	S10-S13 PolarHBondContact O-N 3.23Å; S10-S13 PolarHBondContact O-OG 2.72Å; E11-S13 VanDerWaalsContact C-N 3.31Å; E11-S13 PolarHBondContact O-N 2.7Å; S13-F17 WeakPolarHBondContact O-CB 3.46Å; S13-F17 PolarHBondContact O-N 3.26Å; S13-F17 VanDerWaalsContact O-N 3.16Å
14	A	30.7	Very low	34.8	Very low	51 Å²	51	112.3 Å²	112.3	42%	0.421	59%	0.591	S	S	.	*	H	α-helix	trans	-72.6	-36.8	175.5	0	0	0	0	0	111.7	E11 F17 L18	E11-A14 PolarHBondContact O-N 3.43Å; A14-F17 PolarHBondContact O-N 3.41Å; A14-L18 PolarHBondContact O-N 3.28Å
15	T	34.3	Very low	35.7	Very low	74 Å²	74	110.3 Å²	110.3	45%	0.454	57%	0.565	S	S	.	*	H	α-helix	trans	-68.5	-42.1	177.2	-0.3	0	0	0	0	111.2	E11 E12 F17 L18 L19	E11-T15 PolarHBondContact O-N 2.98Å; E11-T15 PolarHBondContact O-OG1 2.73Å; E12-T15 WeakPolarHBondContact CA-OG1 3.2Å; E12-T15 PolarHBondContact O-N 3.2Å; T15-F17 VanDerWaalsContact C-N 3.3Å; T15-F17 PolarHBondContact O-N 3.1Å; T15-L18 PolarHBondContact O-N 3.34Å; T15-L19 HydrophobicContact CG2-CD1 4.2Å; T15-L19 WeakPolarHBondContact O-CB 3.17Å; T15-L19 WeakPolarHBondContact O-CD1 3.5Å; T15-L19 VanDerWaalsContact O-CG 3.29Å; T15-L19 WeakPolarHBondContact O-CG 3.38Å; T15-L19 PolarHBondContact O-N 3.48Å
16	Y	33.9	Very low	36.7	Very low	181 Å²	181	111 Å²	111	71%	0.71	56%	0.557	S	S	*	*	H	α-helix	trans	-64	-38.1	176	-157.9	-88	0	0	0	111.7	E12 L19 A20	E12-Y16 PolarHBondContact O-N 3.17Å; Y16-L19 PolarHBondContact O-N 2.93Å; Y16-A20 WeakPolarHBondContact O-CB 3.33Å; Y16-A20 PolarHBondContact O-N 2.95Å
17	F	28.2	Very low	37.8	Very low	123 Å²	123	105.5 Å²	105.5	54%	0.539	54%	0.538	S	S	.	.	H	α-helix	trans	-61.4	-46	175.1	-114.9	-102.2	0	0	0	112.4	S13 A14 T15 Y21	S13-F17 WeakPolarHBondContact O-CB 3.46Å; S13-F17 PolarHBondContact O-N 3.26Å; S13-F17 VanDerWaalsContact O-N 3.16Å; A14-F17 PolarHBondContact O-N 3.41Å; T15-F17 VanDerWaalsContact C-N 3.3Å; T15-F17 PolarHBondContact O-N 3.1Å; F17-Y21 WeakPolarHBondContact O-CB 3.27Å; F17-Y21 PolarHBondContact O-N 3.34Å
18	L	30.6	Very low	38.9	Very low	104 Å²	104	100.6 Å²	100.6	55%	0.545	51%	0.509	S	S	.	.	H	α-helix	trans	-70.8	-37.3	177.2	-88.7	153.2	0	0	0	112.5	A14 T15 Q22	A14-L18 PolarHBondContact O-N 3.28Å; T15-L18 PolarHBondContact O-N 3.34Å; L18-Q22 WeakPolarHBondContact O-CB 3.32Å; L18-Q22 PolarHBondContact O-N 3.07Å
19	L	34.8	Very low	40.1	Very low	90 Å²	90	97.7 Å²	97.7	47%	0.471	49%	0.492	S	S	.	.	H	α-helix	trans	-71.9	-40.7	-177.3	-81.9	160.6	0	0	0	113	T15 Y16 K23	T15-L19 HydrophobicContact CG2-CD1 4.2Å; T15-L19 WeakPolarHBondContact O-CB 3.17Å; T15-L19 WeakPolarHBondContact O-CD1 3.5Å; T15-L19 VanDerWaalsContact O-CG 3.29Å; T15-L19 WeakPolarHBondContact O-CG 3.38Å; T15-L19 PolarHBondContact O-N 3.48Å; Y16-L19 PolarHBondContact O-N 2.93Å; L19-K23 VanDerWaalsContact O-CB 3.24Å; L19-K23 WeakPolarHBondContact O-CB 3.11Å; L19-K23 WeakPolarHBondContact O-CG 3.43Å; L19-K23 PolarHBondContact O-N 3.29Å
20	A	40.7	Very low	41	Very low	53 Å²	53	92 Å²	92	44%	0.438	48%	0.477	S	S	.	.	H	α-helix	trans	-69.1	-38	175.4	0	0	0	0	0	111.4	Y16 K23 F24	Y16-A20 WeakPolarHBondContact O-CB 3.33Å; Y16-A20 PolarHBondContact O-N 2.95Å; A20-K23 PolarHBondContact O-N 3.42Å; A20-F24 PolarHBondContact O-N 3.19Å
21	Y	41	Very low	42	Very low	107 Å²	107	95 Å²	95	42%	0.42	48%	0.479	S	S	.	.	H	α-helix	trans	-61.9	-49	175.8	-167.3	-81.6	0	0	0	111.6	F17 Y134	F17-Y21 WeakPolarHBondContact O-CB 3.27Å; F17-Y21 PolarHBondContact O-N 3.34Å; Y21-Y134 AromaticContact CE2-CZ 3.99Å; Y21-Y134 WeakPolarHBondContact CE2-OH 3.14Å; Y21-Y134 PolarHBondContact OH-OH 3.48Å
22	Q	42.3	Very low	42.8	Very low	111 Å²	111	88.5 Å²	88.5	52%	0.519	45%	0.448	S	S	.	.	H	α-helix	trans	-66.9	-45.5	173.6	-80.1	-179.2	-18.2	0	0	110.8	L18 F24 F25 V26	L18-Q22 WeakPolarHBondContact O-CB 3.32Å; L18-Q22 PolarHBondContact O-N 3.07Å; Q22-F24 PolarHBondContact O-N 3.38Å; Q22-F25 PolarHBondContact O-N 2.88Å; Q22-V26 HydrophobicContact CB-CG2 4.01Å; Q22-V26 WeakPolarHBondContact O-CA 3.49Å; Q22-V26 WeakPolarHBondContact O-CB 3.41Å; Q22-V26 WeakPolarHBondContact O-CG2 3.48Å; Q22-V26 PolarHBondContact O-N 2.86Å
23	K	47.2	Very low	43.5	Very low	144 Å²	144	86.9 Å²	86.9	63%	0.626	44%	0.444	S	S	*	.	H	α-helix	trans	-57.9	-44.9	-175.4	-91.4	-178.1	174	177.8	0	114.2	L19 A20 N27	L19-K23 VanDerWaalsContact O-CB 3.24Å; L19-K23 WeakPolarHBondContact O-CB 3.11Å; L19-K23 WeakPolarHBondContact O-CG 3.43Å; L19-K23 PolarHBondContact O-N 3.29Å; A20-K23 PolarHBondContact O-N 3.42Å; K23-N27 WeakPolarHBondContact O-CB 3.14Å; K23-N27 PolarHBondContact O-N 3.38Å; K23-N27 PolarHBondContact O-ND2 2.88Å
24	F	49.5	Very low	44.6	Very low	104 Å²	104	91.4 Å²	91.4	46%	0.456	46%	0.459	S	S	.	.	H	α-helix	trans	-68	-45.7	-176.7	-164	-89.8	0	0	0	111.7	A20 Q22 A28 F131 A454	A20-F24 PolarHBondContact O-N 3.19Å; Q22-F24 PolarHBondContact O-N 3.38Å; F24-A28 PolarHBondContact O-N 3.42Å; F24-F131 HydrophobicContact CE1-CZ 4.31Å; F24-F131 HydrophobicContact CZ-CZ 4.36Å; F24-A454 HydrophobicContact CE1-CB 3.74Å; F24-A454 HydrophobicContact CZ-CB 3.79Å
25	F	50	Low	45.9	Very low	51 Å²	51	91.2 Å²	91.2	22%	0.224	45%	0.449	C	S	.	.	H	α-helix	trans	-82.1	-26.7	-179.6	-71.7	-81.3	0	0	0	113.9	Q22 A28 A29 Y134 Q138	Q22-F25 PolarHBondContact O-N 2.88Å; F25-A28 CarbonylContact O-C 3.57Å; F25-A28 WeakPolarHBondContact O-CB 3.38Å; F25-A28 PolarHBondContact O-N 3.41Å; F25-A29 WeakPolarHBondContact O-CB 3.47Å; F25-A29 PolarHBondContact O-N 3Å; F25-Y134 AromaticContact CE2-CE1 3.81Å; F25-Y134 HydrophobicContact CE2-CE1 3.81Å; F25-Y134 HydrophobicContact CZ-CD1 4.44Å; F25-Y134 AromaticContact CZ-CE1 3.83Å; F25-Y134 HydrophobicContact CZ-CE1 3.83Å; F25-Q138 HydrophobicContact CE1-CB 4.2Å; F25-Q138 HydrophobicContact CE1-CG 4.44Å; F25-Q138 HydrophobicContact CZ-CB 4.47Å; F25-Q138 HydrophobicContact CZ-CG 4.26Å
26	V	50.1	Low	47	Very low	74 Å²	74	90.1 Å²	90.1	45%	0.448	44%	0.44	S	S	.	.	H	α-helix	trans	-68.5	-41.5	169.4	171.5	0	0	0	0	109.2	Q22 A28 A29 T30	Q22-V26 HydrophobicContact CB-CG2 4.01Å; Q22-V26 WeakPolarHBondContact O-CA 3.49Å; Q22-V26 WeakPolarHBondContact O-CB 3.41Å; Q22-V26 WeakPolarHBondContact O-CG2 3.48Å; Q22-V26 PolarHBondContact O-N 2.86Å; V26-A28 VanDerWaalsContact C-N 3.27Å; V26-A28 PolarHBondContact O-N 3.24Å; V26-A29 PolarHBondContact O-N 3.39Å; V26-T30 VanDerWaalsContact O-CB 3.32Å; V26-T30 WeakPolarHBondContact O-CB 3.35Å; V26-T30 PolarHBondContact O-N 3.47Å; V26-T30 PolarHBondContact O-OG1 3.15Å
27	N	51.7	Low	48.1	Very low	90 Å²	90	88.1 Å²	88.1	48%	0.481	44%	0.442	S	S	.	.	H	α-helix	trans	-61.1	-40.2	169.8	-76.1	-17.8	0	0	0	110.7	K23 T30 R31	K23-N27 WeakPolarHBondContact O-CB 3.14Å; K23-N27 PolarHBondContact O-N 3.38Å; K23-N27 PolarHBondContact O-ND2 2.88Å; N27-T30 PolarHBondContact O-N 3.46Å; N27-R31 WeakPolarHBondContact O-CB 3.29Å; N27-R31 VanDerWaalsContact O-CG 3.23Å; N27-R31 WeakPolarHBondContact O-CG 3.36Å; N27-R31 PolarHBondContact O-N 3.4Å
28	A	53.4	Low	50.1	Low	12 Å²	12	89 Å²	89	10%	0.099	45%	0.452	C	S	.	.	H	α-helix	trans	-62.4	-45.2	173.7	0	0	0	0	0	112	F24 F25 V26 T30 R31 E32	F24-A28 PolarHBondContact O-N 3.42Å; F25-A28 CarbonylContact O-C 3.57Å; F25-A28 WeakPolarHBondContact O-CB 3.38Å; F25-A28 PolarHBondContact O-N 3.41Å; V26-A28 VanDerWaalsContact C-N 3.27Å; V26-A28 PolarHBondContact O-N 3.24Å; A28-T30 PolarHBondContact O-N 3.23Å; A28-R31 CarbonylContact O-C 3.55Å; A28-R31 WeakPolarHBondContact O-CB 3.45Å; A28-R31 PolarHBondContact O-N 2.86Å; A28-E32 VanDerWaalsContact O-CB 3.31Å; A28-E32 WeakPolarHBondContact O-CB 3.25Å; A28-E32 PolarHBondContact O-N 2.94Å
29	A	51.9	Low	52.7	Low	45 Å²	45	85.7 Å²	85.7	37%	0.372	44%	0.435	S	S	.	.	H	α-helix	trans	-66	-36.6	177.5	0	0	0	0	0	112.4	F25 V26 E32 L33	F25-A29 WeakPolarHBondContact O-CB 3.47Å; F25-A29 PolarHBondContact O-N 3Å; V26-A29 PolarHBondContact O-N 3.39Å; A29-E32 WeakPolarHBondContact O-CB 3.01Å; A29-E32 PolarHBondContact O-N 3.36Å; A29-L33 PolarHBondContact O-N 2.99Å
30	T	49.6	Very low	55.3	Low	73 Å²	73	84.6 Å²	84.6	45%	0.448	43%	0.429	S	S	.	.	H	α-helix	trans	-69.2	-39.6	175.4	-47.9	0	0	0	0	110.6	V26 N27 A28 L33 Q34	V26-T30 VanDerWaalsContact O-CB 3.32Å; V26-T30 WeakPolarHBondContact O-CB 3.35Å; V26-T30 PolarHBondContact O-N 3.47Å; V26-T30 PolarHBondContact O-OG1 3.15Å; N27-T30 PolarHBondContact O-N 3.46Å; A28-T30 PolarHBondContact O-N 3.23Å; T30-L33 WeakPolarHBondContact O-CB 3.4Å; T30-Q34 PolarHBondContact O-N 3.41Å
31	R	54.4	Low	57.5	Low	126 Å²	126	89.7 Å²	89.7	48%	0.475	44%	0.444	S	S	.	.	H	α-helix	trans	-65.5	-40.7	169	-73.8	173.3	-179	-167.8	-0.6	110.7	N27 A28 L33 Q34 F35	N27-R31 WeakPolarHBondContact O-CB 3.29Å; N27-R31 VanDerWaalsContact O-CG 3.23Å; N27-R31 WeakPolarHBondContact O-CG 3.36Å; N27-R31 PolarHBondContact O-N 3.4Å; A28-R31 CarbonylContact O-C 3.55Å; A28-R31 WeakPolarHBondContact O-CB 3.45Å; A28-R31 PolarHBondContact O-N 2.86Å; R31-L33 VanDerWaalsContact C-N 3.28Å; R31-L33 PolarHBondContact O-N 2.94Å; R31-Q34 WeakPolarHBondContact O-CA 3.31Å; R31-Q34 WeakPolarHBondContact O-CB 3.31Å; R31-Q34 PolarHBondContact O-N 3.08Å; R31-F35 HydrophobicContact CB-CD2 4.39Å; R31-F35 VanDerWaalsContact O-CD2 3.23Å; R31-F35 WeakPolarHBondContact O-CD2 3.47Å; R31-F35 PolarHBondContact O-N 3.05Å
32	E	53.7	Low	60	Low	35 Å²	35	90 Å²	90	16%	0.164	46%	0.457	C	S	.	.	H	α-helix	trans	-59.5	-41.3	179	-147.5	-169.3	161.9	0	0	110.2	A28 A29 Q34 F35 N36 R462	A28-E32 VanDerWaalsContact O-CB 3.31Å; A28-E32 WeakPolarHBondContact O-CB 3.25Å; A28-E32 PolarHBondContact O-N 2.94Å; A29-E32 WeakPolarHBondContact O-CB 3.01Å; A29-E32 PolarHBondContact O-N 3.36Å; E32-Q34 VanDerWaalsContact C-N 3.34Å; E32-Q34 PolarHBondContact O-N 3.34Å; E32-F35 PolarHBondContact O-N 3.44Å; E32-N36 WeakPolarHBondContact O-CB 3.48Å; E32-N36 PolarHBondContact O-N 3.17Å; E32-N36 PolarHBondContact O-ND2 3.45Å; E32-R462 IonicContact OE1-NE 3.75Å; E32-R462 PolarHBondContact OE1-NE 2.96Å
33	L	52	Low	62.6	Low	124 Å²	124	86 Å²	86	65%	0.649	44%	0.439	S	S	*	.	H	α-helix	trans	-57.6	-41.1	171.5	-89.5	157.4	0	0	0	113.1	A29 T30 R31	A29-L33 PolarHBondContact O-N 2.99Å; T30-L33 WeakPolarHBondContact O-CB 3.4Å; R31-L33 VanDerWaalsContact C-N 3.28Å; R31-L33 PolarHBondContact O-N 2.94Å
34	Q	56.3	Low	65	Low	147 Å²	147	80.2 Å²	80.2	69%	0.687	42%	0.416	S	S	*	.	H	α-helix	trans	-68.9	-38.3	176.5	-70.5	-176.2	-22.3	0	0	112.5	T30 R31 E32	T30-Q34 PolarHBondContact O-N 3.41Å; R31-Q34 WeakPolarHBondContact O-CA 3.31Å; R31-Q34 WeakPolarHBondContact O-CB 3.31Å; R31-Q34 PolarHBondContact O-N 3.08Å; E32-Q34 VanDerWaalsContact C-N 3.34Å; E32-Q34 PolarHBondContact O-N 3.34Å
35	F	57.6	Low	67.3	Low	48 Å²	48	79.2 Å²	79.2	21%	0.211	42%	0.418	C	S	.	.	H	α-helix	trans	-83.1	-25.1	-176.6	-83	-71.2	0	0	0	113.7	R31 E32 N37 T79 Y228 V452	R31-F35 HydrophobicContact CB-CD2 4.39Å; R31-F35 VanDerWaalsContact O-CD2 3.23Å; R31-F35 WeakPolarHBondContact O-CD2 3.47Å; R31-F35 PolarHBondContact O-N 3.05Å; E32-F35 PolarHBondContact O-N 3.44Å; F35-N37 PolarHBondContact O-N 3.3Å; F35-T79 WeakPolarHBondContact CE1-O 3.3Å; F35-Y228 HydrophobicContact CB-CE1 3.93Å; F35-Y228 HydrophobicContact CD1-CE1 4.23Å; F35-Y228 HydrophobicContact CG-CE1 4.42Å; F35-V452 HydrophobicContact CE2-CB 4.21Å; F35-V452 HydrophobicContact CE2-CG1 3.93Å; F35-V452 HydrophobicContact CE2-CG2 3.99Å; F35-V452 HydrophobicContact CZ-CG1 4.23Å; F35-V452 HydrophobicContact CZ-CG2 4Å
36	N	57.3	Low	69.5	Low	50 Å²	50	78.8 Å²	78.8	27%	0.267	42%	0.415	S	S	.	.	H	α-helix	trans	-71.6	-27.7	-172.5	-86.6	-20.8	0	0	0	114.3	E32 N38 L39 R462	E32-N36 WeakPolarHBondContact O-CB 3.48Å; E32-N36 PolarHBondContact O-N 3.17Å; E32-N36 PolarHBondContact O-ND2 3.45Å; N36-N38 PolarHBondContact O-N 3.01Å; N36-L39 PolarHBondContact O-N 2.83Å; N36-L39 WeakPolarHBondContact OD1-CD1 3.48Å; N36-R462 PolarHBondContact OD1-NH2 3.32Å
37	N	57.8	Low	71.7	Confident	140 Å²	140	77.4 Å²	77.4	75%	0.749	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.9	-175.1	-73.7	-13	0	0	0	113.8	F35	F35-N37 PolarHBondContact O-N 3.3Å
38	N	70.8	Confident	74	Confident	141 Å²	141	77.9 Å²	77.9	75%	0.754	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	15.6	-174	-64.6	-25.1	0	0	0	114.1	N36	N36-N38 PolarHBondContact O-N 3.01Å
39	L	84.8	Confident	76.1	Confident	34 Å²	34	77.4 Å²	77.4	18%	0.178	41%	0.411	C	S	.	.			trans	-76.1	135.5	-179	-65.7	176.5	0	0	0	112	N36 E41 R227 Y228	N36-L39 PolarHBondContact O-N 2.83Å; N36-L39 WeakPolarHBondContact OD1-CD1 3.48Å; L39-E41 PolarHBondContact O-N 3.3Å; L39-E41 VanDerWaalsContact O-N 3.15Å; L39-R227 WeakPolarHBondContact CA-O 3.49Å; L39-R227 HydrophobicContact CD2-CB 4.13Å; L39-Y228 HydrophobicContact CD2-CD1 3.56Å; L39-Y228 HydrophobicContact CD2-CD2 3.99Å; L39-Y228 HydrophobicContact CD2-CE1 3.43Å; L39-Y228 VanDerWaalsContact CD2-CE1 3.43Å; L39-Y228 HydrophobicContact CD2-CE2 3.86Å; L39-Y228 HydrophobicContact CD2-CG 3.83Å; L39-Y228 HydrophobicContact CG-CE1 4.49Å
40	I	88.8	Confident	78.3	Confident	67 Å²	67	75.9 Å²	75.9	34%	0.344	40%	0.396	S	S	.	.			trans	-68.2	113.2	175.4	-51.9	-179.7	0	0	0	109.3	V42 R227	I40-V42 WeakPolarHBondContact CG2-O 3Å; I40-R227 PolarHBondContact N-O 2.99Å; I40-R227 WeakPolarHBondContact O-CD 3.39Å; I40-R227 PolarHBondContact O-NH1 3.36Å
41	E	88.1	Confident	80.6	Confident	160 Å²	160	79.4 Å²	79.4	75%	0.748	40%	0.401	S	S	*	.	S	Bend	trans	-69.2	-40	-176.4	-172	-179.6	-177.8	0	0	113.2	L39 R227	L39-E41 PolarHBondContact O-N 3.3Å; L39-E41 VanDerWaalsContact O-N 3.15Å; E41-R227 PolarHBondContact O-NH1 3.21Å
42	V	92.9	Very high	82.7	Confident	114 Å²	114	74.9 Å²	74.9	69%	0.691	39%	0.389	S	S	*	.	S	Bend	trans	-107.9	123.5	178.1	-178.2	0	0	0	0	108.7	I40	I40-V42 WeakPolarHBondContact CG2-O 3Å
43	L	96.3	Very high	84.8	Confident	27 Å²	27	73.2 Å²	73.2	14%	0.141	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-61.1	134.7	179.9	-71.4	174	0	0	0	109.6	L223 I226 R227 Y533	L43-L223 HydrophobicContact CD1-CD2 3.72Å; L43-L223 HydrophobicContact CD2-CD2 4.47Å; L43-I226 HydrophobicContact CD2-CB 4.41Å; L43-I226 HydrophobicContact CD2-CG2 3.92Å; L43-R227 HydrophobicContact CD2-CG 4.4Å; L43-R227 VanDerWaalsContact CG-CZ 3.47Å; L43-Y533 HydrophobicContact CD1-CE2 4.26Å
44	P	97.7	Very high	86.9	Confident	23 Å²	23	71.5 Å²	71.5	15%	0.149	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-62.2	144.6	171.5	27.8	-33.5	0	0	0	109.3	E48 I49 I226 Y533	P44-E48 WeakPolarHBondContact CA-OE2 3.5Å; P44-E48 HydrophobicContact CB-CB 4.13Å; P44-I49 HydrophobicContact CB-CG1 4.12Å; P44-I49 HydrophobicContact CG-CD1 4.09Å; P44-I49 HydrophobicContact CG-CG1 3.86Å; P44-I226 HydrophobicContact CG-CG2 3.79Å; P44-Y533 WeakPolarHBondContact O-CE1 3.34Å; P44-Y533 PolarHBondContact O-OH 2.86Å
45	T	97.7	Very high	88.8	Confident	82 Å²	82	71 Å²	71	50%	0.503	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-64.2	157.1	171.3	64.6	0	0	0	0	110.8	G47 E48 I49	T45-G47 PolarHBondContact O-N 2.94Å; T45-E48 WeakPolarHBondContact CB-OE2 3.36Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.47Å; T45-E48 PolarHBondContact N-OE2 3.48Å; T45-E48 PolarHBondContact O-N 3.36Å; T45-E48 VanDerWaalsContact OG1-CD 3.3Å; T45-E48 VanDerWaalsContact OG1-CG 3.3Å; T45-E48 WeakPolarHBondContact OG1-CG 3.28Å; T45-E48 PolarHBondContact OG1-N 3.38Å; T45-E48 PolarHBondContact OG1-OE2 3.37Å; T45-I49 PolarHBondContact O-N 3.05Å; T45-I49 VanDerWaalsContact O-N 3.07Å
46	R	97.2	Very high	90.7	Very high	42 Å²	42	69.9 Å²	69.9	16%	0.158	36%	0.364	C	S	.	.	H	α-helix	trans	-55.2	-35.9	174.1	-171.1	177.2	-178.7	-88.2	4	112.2	I49 M50 I233 N234 H235 D260 Y533	R46-I49 PolarHBondContact O-N 3.01Å; R46-M50 VanDerWaalsContact O-CB 3.3Å; R46-M50 WeakPolarHBondContact O-CB 3.39Å; R46-M50 PolarHBondContact O-N 2.58Å; R46-I233 HydrophobicContact CG-CD1 3.88Å; R46-I233 HydrophobicContact CG-CG1 4.02Å; R46-N234 PolarHBondContact NE-O 3.43Å; R46-N234 PolarHBondContact NH2-O 3.46Å; R46-H235 PolarHBondContact NH2-O 2.91Å; R46-D260 IonicContact CZ-OD1 2.98Å; R46-D260 IonicContact CZ-OD2 3.37Å; R46-D260 IonicContact NH1-OD1 3.71Å; R46-D260 PolarHBondContact NH1-OD1 2.9Å; R46-D260 IonicContact NH1-OD2 2.63Å; R46-D260 PolarHBondContact NH1-OD2 3.19Å; R46-D260 VanDerWaalsContact NH2-CG 3.26Å; R46-D260 IonicContact NH2-OD1 2.75Å; R46-D260 PolarHBondContact NH2-OD1 3.15Å; R46-D260 IonicContact NH2-OD2 3.23Å; R46-D260 PolarHBondContact NH2-OD2 3.27Å; R46-Y533 HydrophobicContact CB-CD1 4.42Å
47	G	96.9	Very high	92.6	Very high	45 Å²	45	74.5 Å²	74.5	46%	0.464	38%	0.384	S	S	.	.	H	α-helix	trans	-66.5	-36.3	177	0	0	0	0	0	113.6	T45 R51	T45-G47 PolarHBondContact O-N 2.94Å; G47-R51 WeakPolarHBondContact O-CB 3.41Å; G47-R51 PolarHBondContact O-N 3.24Å
48	E	98.3	Very high	94.5	Very high	101 Å²	101	71.1 Å²	71.1	47%	0.472	36%	0.363	S	S	.	.	H	α-helix	trans	-69.9	-41	174.4	-73	160.7	146.9	0	0	111.7	P44 T45 R51 S52	P44-E48 WeakPolarHBondContact CA-OE2 3.5Å; P44-E48 HydrophobicContact CB-CB 4.13Å; T45-E48 WeakPolarHBondContact CB-OE2 3.36Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.47Å; T45-E48 PolarHBondContact N-OE2 3.48Å; T45-E48 PolarHBondContact O-N 3.36Å; T45-E48 VanDerWaalsContact OG1-CD 3.3Å; T45-E48 VanDerWaalsContact OG1-CG 3.3Å; T45-E48 WeakPolarHBondContact OG1-CG 3.28Å; T45-E48 PolarHBondContact OG1-N 3.38Å; T45-E48 PolarHBondContact OG1-OE2 3.37Å; E48-R51 WeakPolarHBondContact O-CB 3.14Å; E48-R51 PolarHBondContact O-N 3.29Å; E48-S52 PolarHBondContact O-N 3.02Å
49	I	98.5	Very high	95.8	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-62.4	-46.8	174	-60	175.3	0	0	0	110	P44 T45 R46 R51 S52 L53 I226 Q231 C232 I233 Y533	P44-I49 HydrophobicContact CB-CG1 4.12Å; P44-I49 HydrophobicContact CG-CD1 4.09Å; P44-I49 HydrophobicContact CG-CG1 3.86Å; T45-I49 PolarHBondContact O-N 3.05Å; T45-I49 VanDerWaalsContact O-N 3.07Å; R46-I49 PolarHBondContact O-N 3.01Å; I49-R51 VanDerWaalsContact C-N 3.27Å; I49-R51 PolarHBondContact O-N 2.74Å; I49-S52 WeakPolarHBondContact O-CB 3.47Å; I49-S52 PolarHBondContact O-N 2.91Å; I49-S52 VanDerWaalsContact O-N 3.1Å; I49-L53 HydrophobicContact CG2-CD1 4.34Å; I49-L53 HydrophobicContact CG2-CG 4.45Å; I49-L53 WeakPolarHBondContact O-CG 3.33Å; I49-L53 PolarHBondContact O-N 2.93Å; I49-I226 HydrophobicContact CD1-CD1 4.41Å; I49-Q231 HydrophobicContact CG2-CB 4.19Å; I49-C232 WeakPolarHBondContact CD1-O 3.31Å; I49-I233 HydrophobicContact CG2-CB 3.97Å; I49-I233 HydrophobicContact CG2-CD1 4.33Å; I49-Y533 HydrophobicContact CD1-CE1 3.71Å
50	M	97.7	Very high	96.5	Very high	14 Å²	14	64.2 Å²	64.2	7%	0.069	33%	0.327	C	S	.	.	H	α-helix	trans	-56.2	-42	176.3	-178.3	63	76.7	0	0	112.2	R46 K54 I233 V236 D260 M267	R46-M50 VanDerWaalsContact O-CB 3.3Å; R46-M50 WeakPolarHBondContact O-CB 3.39Å; R46-M50 PolarHBondContact O-N 2.58Å; M50-K54 WeakPolarHBondContact O-CG 3.33Å; M50-K54 PolarHBondContact O-N 2.79Å; M50-I233 HydrophobicContact CB-CD1 4.06Å; M50-I233 HydrophobicContact CE-CD1 3.63Å; M50-I233 HydrophobicContact SD-CD1 4.33Å; M50-V236 HydrophobicContact CE-CG2 4.14Å; M50-D260 HydrophobicContact CE-CB 3.84Å; M50-D260 WeakPolarHBondContact CE-OD2 3.49Å; M50-M267 HydrophobicContact CE-CE 3.62Å; M50-M267 HydrophobicContact SD-CE 3.28Å; M50-M267 WeakPolarHBondContact SD-CE 3.37Å; M50-M267 HydrophobicContact SD-SD 3.56Å
51	R	97.9	Very high	97	Very high	146 Å²	146	61.1 Å²	61.1	55%	0.551	31%	0.311	S	S	*	.	H	α-helix	trans	-64.2	-47.7	175.2	-176.4	-169.6	-51.7	-82.8	-3	111	G47 E48 I49 L53 K54 E55	G47-R51 WeakPolarHBondContact O-CB 3.41Å; G47-R51 PolarHBondContact O-N 3.24Å; E48-R51 WeakPolarHBondContact O-CB 3.14Å; E48-R51 PolarHBondContact O-N 3.29Å; I49-R51 VanDerWaalsContact C-N 3.27Å; I49-R51 PolarHBondContact O-N 2.74Å; R51-L53 VanDerWaalsContact C-N 3.29Å; R51-L53 PolarHBondContact O-N 3.31Å; R51-K54 PolarHBondContact O-N 3.05Å; R51-E55 VanDerWaalsContact CD-OE1 3.25Å; R51-E55 WeakPolarHBondContact CD-OE1 3.14Å; R51-E55 HydrophobicContact CG-CG 4.11Å; R51-E55 WeakPolarHBondContact CG-OE1 3.39Å; R51-E55 WeakPolarHBondContact O-CB 3.23Å; R51-E55 WeakPolarHBondContact O-CG 3.29Å; R51-E55 PolarHBondContact O-N 3.48Å
52	S	97.9	Very high	97.5	Very high	31 Å²	31	53.5 Å²	53.5	22%	0.217	28%	0.275	C	S	.	.	H	α-helix	trans	-58.6	-39.5	178.2	-174.8	0	0	0	0	112.4	E48 I49 K54 E55 T56 Q231	E48-S52 PolarHBondContact O-N 3.02Å; I49-S52 WeakPolarHBondContact O-CB 3.47Å; I49-S52 PolarHBondContact O-N 2.91Å; I49-S52 VanDerWaalsContact O-N 3.1Å; S52-K54 VanDerWaalsContact C-N 3.27Å; S52-K54 PolarHBondContact O-N 3.38Å; S52-E55 PolarHBondContact O-N 2.89Å; S52-T56 WeakPolarHBondContact O-CB 3.36Å; S52-T56 PolarHBondContact O-N 3.17Å; S52-T56 PolarHBondContact O-OG1 3.05Å; S52-Q231 VanDerWaalsContact CB-OE1 3.31Å; S52-Q231 PolarHBondContact OG-OE1 3.04Å
53	L	98.3	Very high	97.8	Very high	1 Å²	1	48 Å²	48	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-62.8	-32.6	176	-69.2	175.2	0	0	0	113	I49 R51 F59 A85 Q231 I233 I269	I49-L53 HydrophobicContact CG2-CD1 4.34Å; I49-L53 HydrophobicContact CG2-CG 4.45Å; I49-L53 WeakPolarHBondContact O-CG 3.33Å; I49-L53 PolarHBondContact O-N 2.93Å; R51-L53 VanDerWaalsContact C-N 3.29Å; R51-L53 PolarHBondContact O-N 3.31Å; L53-F59 HydrophobicContact CD2-CE2 3.94Å; L53-F59 HydrophobicContact CD2-CZ 3.79Å; L53-A85 HydrophobicContact CD2-CB 3.65Å; L53-Q231 HydrophobicContact CD2-CB 3.84Å; L53-Q231 HydrophobicContact CG-CB 4.42Å; L53-I233 HydrophobicContact CD1-CB 4.14Å; L53-I233 HydrophobicContact CD1-CD1 4.32Å; L53-I233 HydrophobicContact CD1-CG2 3.48Å; L53-I233 VanDerWaalsContact CD1-CG2 3.48Å; L53-I269 HydrophobicContact CB-CD1 4.5Å; L53-I269 HydrophobicContact CD1-CD1 4.26Å; L53-I269 HydrophobicContact CD2-CD1 4.41Å
54	K	96.1	Very high	97.9	Very high	87 Å²	87	47.1 Å²	47.1	38%	0.378	24%	0.237	S	C	.	.	H	α-helix	trans	-84.5	-36.7	179	-67.2	173.7	-172.9	174.5	0	113.2	M50 R51 S52 M267	M50-K54 WeakPolarHBondContact O-CG 3.33Å; M50-K54 PolarHBondContact O-N 2.79Å; R51-K54 PolarHBondContact O-N 3.05Å; S52-K54 VanDerWaalsContact C-N 3.27Å; S52-K54 PolarHBondContact O-N 3.38Å; K54-M267 HydrophobicContact CG-CB 4.43Å
55	E	96.9	Very high	98	Very high	136 Å²	136	46.3 Å²	46.3	64%	0.636	23%	0.233	S	C	*	.	H	α-helix	trans	-84.4	-23.8	-176.7	-70.5	175	-178.3	0	0	112.4	R51 S52 E57	R51-E55 VanDerWaalsContact CD-OE1 3.25Å; R51-E55 WeakPolarHBondContact CD-OE1 3.14Å; R51-E55 HydrophobicContact CG-CG 4.11Å; R51-E55 WeakPolarHBondContact CG-OE1 3.39Å; R51-E55 WeakPolarHBondContact O-CB 3.23Å; R51-E55 WeakPolarHBondContact O-CG 3.29Å; R51-E55 PolarHBondContact O-N 3.48Å; S52-E55 PolarHBondContact O-N 2.89Å; E55-E57 PolarHBondContact O-N 3.23Å
56	T	97.8	Very high	98	Very high	26 Å²	26	42.4 Å²	42.4	16%	0.16	21%	0.209	C	C	.	.			trans	-70.3	115.8	175.6	-62.7	0	0	0	0	109.7	S52 E58 F59 K83	S52-T56 WeakPolarHBondContact O-CB 3.36Å; S52-T56 PolarHBondContact O-N 3.17Å; S52-T56 PolarHBondContact O-OG1 3.05Å; T56-E58 PolarHBondContact O-N 2.79Å; T56-F59 VanDerWaalsContact CB-CZ 3.49Å; T56-F59 HydrophobicContact CG2-CD1 4.16Å; T56-F59 HydrophobicContact CG2-CD2 3.82Å; T56-F59 HydrophobicContact CG2-CE1 3.91Å; T56-F59 HydrophobicContact CG2-CE2 3.56Å; T56-F59 HydrophobicContact CG2-CG 4.1Å; T56-F59 HydrophobicContact CG2-CZ 3.59Å; T56-K83 HydrophobicContact CG2-CD 3.61Å
57	E	96.2	Very high	98.1	Very high	146 Å²	146	41.1 Å²	41.1	68%	0.682	21%	0.208	S	C	*	.	S	Bend	trans	-55.6	-52.9	179.1	-169.5	-177.6	176.6	0	0	111.8	E55 R270	E55-E57 PolarHBondContact O-N 3.23Å; E57-R270 PolarHBondContact O-NE 3.22Å; E57-R270 PolarHBondContact O-NH1 2.96Å; E57-R270 PolarHBondContact O-NH2 3.1Å; E57-R270 IonicContact OE1-NH2 3.66Å
58	E	98.1	Very high	98.1	Very high	70 Å²	70	39.1 Å²	39.1	33%	0.327	19%	0.188	S	C	.	.			trans	-152.2	134.6	178.8	-170	173	89.2	0	0	110.9	T56 K83 R270 K272	T56-E58 PolarHBondContact O-N 2.79Å; E58-K83 PolarHBondContact O-NZ 3.43Å; E58-R270 HydrophobicContact CG-CB 4.45Å; E58-R270 IonicContact OE2-NH1 3.86Å; E58-K272 HydrophobicContact CG-CG 4.15Å; E58-K272 WeakPolarHBondContact OE1-CE 3.47Å; E58-K272 WeakPolarHBondContact OE1-CG 3.11Å
59	F	98.8	Very high	98.1	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	152.7	170.3	-70.7	-86.7	0	0	0	111	L53 T56 K83 A85 Q231 I269 R270 A271 K272	L53-F59 HydrophobicContact CD2-CE2 3.94Å; L53-F59 HydrophobicContact CD2-CZ 3.79Å; T56-F59 VanDerWaalsContact CB-CZ 3.49Å; T56-F59 HydrophobicContact CG2-CD1 4.16Å; T56-F59 HydrophobicContact CG2-CD2 3.82Å; T56-F59 HydrophobicContact CG2-CE1 3.91Å; T56-F59 HydrophobicContact CG2-CE2 3.56Å; T56-F59 HydrophobicContact CG2-CG 4.1Å; T56-F59 HydrophobicContact CG2-CZ 3.59Å; F59-K83 HydrophobicContact CD1-CD 3.9Å; F59-K83 HydrophobicContact CD1-CG 3.77Å; F59-K83 HydrophobicContact CE1-CD 4.13Å; F59-K83 HydrophobicContact CE1-CG 4.09Å; F59-A85 HydrophobicContact CD1-CB 3.71Å; F59-A85 HydrophobicContact CD2-CB 3.93Å; F59-A85 HydrophobicContact CE1-CB 3.81Å; F59-A85 HydrophobicContact CE2-CB 4.02Å; F59-A85 HydrophobicContact CG-CB 3.79Å; F59-A85 HydrophobicContact CZ-CB 3.97Å; F59-Q231 HydrophobicContact CE1-CB 4.16Å; F59-Q231 HydrophobicContact CE1-CG 3.88Å; F59-Q231 HydrophobicContact CZ-CB 4.29Å; F59-Q231 HydrophobicContact CZ-CG 4.13Å; F59-I269 HydrophobicContact CD2-CG2 3.93Å; F59-I269 HydrophobicContact CE2-CG2 4.06Å; F59-R270 PolarHBondContact N-O 3.16Å; F59-A271 HydrophobicContact CB-CB 4.09Å; F59-A271 CarbonylContact O-C 3.51Å; F59-A271 WeakPolarHBondContact O-CA 3.3Å; F59-K272 PolarHBondContact O-N 3.29Å
60	D	98.8	Very high	98.1	Very high	29 Å²	29	35.5 Å²	35.5	16%	0.155	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-40.8	171.2	-64.1	-52.7	0	0	0	110.4	L82 K83 K272 C273	D60-L82 HydrophobicContact CB-CB 3.98Å; D60-L82 HydrophobicContact CB-CD2 4.2Å; D60-K83 PolarHBondContact N-O 2.86Å; D60-K83 WeakPolarHBondContact OD2-CB 3.23Å; D60-K83 PolarHBondContact OD2-N 3.04Å; D60-K272 WeakPolarHBondContact OD1-CE 3.34Å; D60-K272 IonicContact OD1-NZ 3.81Å; D60-K272 PolarHBondContact OD1-NZ 3.39Å; D60-C273 WeakPolarHBondContact O-CB 3.39Å; D60-C273 PolarHBondContact O-N 3.07Å; D60-C273 VanDerWaalsContact O-N 3.15Å
61	V	98.9	Very high	98.2	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	129.3	179.4	-175.5	0	0	0	0	110	V63 A77 L82 K83 T84 A85 C273 V275 L445	V61-V63 HydrophobicContact CG1-CG2 4.02Å; V61-A77 HydrophobicContact CB-CB 4.36Å; V61-A77 HydrophobicContact CG1-CB 4.49Å; V61-A77 HydrophobicContact CG2-CB 4.22Å; V61-L82 HydrophobicContact CG2-CB 4.37Å; V61-L82 HydrophobicContact CG2-CD1 4.03Å; V61-K83 PolarHBondContact N-O 3.29Å; V61-T84 HydrophobicContact CB-CG2 4.41Å; V61-T84 WeakPolarHBondContact O-CA 3.38Å; V61-A85 PolarHBondContact O-N 3Å; V61-C273 WeakPolarHBondContact CA-O 3.48Å; V61-V275 HydrophobicContact CG1-CG2 4.07Å; V61-L445 HydrophobicContact CG2-CD1 3.66Å
62	L	98.9	Very high	98.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.2	166.3	170.7	64.3	0	0	0	109.4	A85 V87 V256 I269 A271 C273 V274 V275	L62-A85 CarbonylContact C-O 3.2Å; L62-A85 WeakPolarHBondContact CA-O 3.26Å; L62-A85 HydrophobicContact CD1-CB 3.74Å; L62-V87 HydrophobicContact CD1-CG1 4.43Å; L62-V87 HydrophobicContact CD1-CG2 4.35Å; L62-V256 HydrophobicContact CD2-CB 4.23Å; L62-V256 HydrophobicContact CD2-CG1 3.74Å; L62-V256 HydrophobicContact CD2-CG2 3.59Å; L62-I269 HydrophobicContact CD1-CG2 4.15Å; L62-I269 HydrophobicContact CD2-CB 4.32Å; L62-I269 HydrophobicContact CD2-CG2 4.1Å; L62-A271 HydrophobicContact CB-CB 3.49Å; L62-A271 VanDerWaalsContact CB-CB 3.49Å; L62-C273 PolarHBondContact N-O 3.01Å; L62-V274 HydrophobicContact CB-CG2 4.41Å; L62-V274 HydrophobicContact CD2-CG2 4.36Å; L62-V274 CarbonylContact O-C 3.51Å; L62-V274 WeakPolarHBondContact O-CA 3.31Å; L62-V275 PolarHBondContact O-N 2.93Å
63	V	99	Very high	98.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.7	177.8	-172.1	0	0	0	0	109.9	V61 V73 A74 T84 A85 L86 V87 V275 A277	V61-V63 HydrophobicContact CG1-CG2 4.02Å; V63-V73 HydrophobicContact CG1-CG1 4.46Å; V63-V73 HydrophobicContact CG2-CB 4.31Å; V63-V73 HydrophobicContact CG2-CG1 3.63Å; V63-A74 HydrophobicContact CG2-CB 4.4Å; V63-T84 HydrophobicContact CG2-CG2 4.42Å; V63-A85 PolarHBondContact N-O 3.25Å; V63-L86 HydrophobicContact CB-CB 4.2Å; V63-L86 HydrophobicContact CB-CD1 4.09Å; V63-L86 HydrophobicContact CB-CG 4.15Å; V63-L86 HydrophobicContact CG1-CD1 4.02Å; V63-L86 HydrophobicContact CG1-CG 4.43Å; V63-L86 VanDerWaalsContact O-CA 3.31Å; V63-L86 WeakPolarHBondContact O-CA 3.47Å; V63-V87 PolarHBondContact O-N 3.33Å; V63-V275 CarbonylContact C-O 3.55Å; V63-V275 WeakPolarHBondContact CA-O 3.49Å; V63-A277 HydrophobicContact CG1-CB 4.11Å
64	I	98.9	Very high	98.3	Very high	8 Å²	8	26.5 Å²	26.5	4%	0.041	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	116.7	174.6	-49.6	174	0	0	0	108.1	V87 V238 L241 V256 V274 V275 A277 T278 I285	I64-V87 HydrophobicContact CG1-CG2 4.47Å; I64-V87 HydrophobicContact CG2-CG2 4.5Å; I64-V238 HydrophobicContact CD1-CG1 4.28Å; I64-V238 HydrophobicContact CD1-CG2 4.14Å; I64-V238 HydrophobicContact CG1-CG2 4.1Å; I64-V238 HydrophobicContact CG2-CB 4.2Å; I64-V238 HydrophobicContact CG2-CG2 3.73Å; I64-L241 HydrophobicContact CD1-CD2 4.24Å; I64-V256 HydrophobicContact CD1-CG1 3.85Å; I64-V256 HydrophobicContact CG1-CG1 4.49Å; I64-V274 HydrophobicContact CD1-CG1 3.63Å; I64-V274 HydrophobicContact CG1-CG1 4.09Å; I64-V275 PolarHBondContact N-O 2.98Å; I64-A277 CarbonylContact O-C 3.53Å; I64-A277 VanDerWaalsContact O-C 3.3Å; I64-A277 WeakPolarHBondContact O-CA 3.26Å; I64-A277 PolarHBondContact O-N 3Å; I64-T278 HydrophobicContact CB-CG2 4.22Å; I64-T278 HydrophobicContact CG2-CG2 3.63Å; I64-T278 WeakPolarHBondContact O-CG2 3.27Å; I64-T278 PolarHBondContact O-N 3.12Å; I64-I285 HydrophobicContact CD1-CG2 4.01Å; I64-I285 HydrophobicContact CG2-CD1 4.19Å; I64-I285 HydrophobicContact CG2-CG1 4.33Å
65	G	98.8	Very high	98.4	Very high	6 Å²	6	22.6 Å²	22.6	6%	0.062	12%	0.117	C	C	.	.			trans	104.7	123.5	-177.2	0	0	0	0	0	112.8	G70 V87	G65-G70 WeakPolarHBondContact O-CA 3.45Å; G65-V87 PolarHBondContact N-O 3.01Å
66	G	98.6	Very high	98.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.087	C	C	.	.			trans	-101.4	25.2	-179.2	0	0	0	0	0	114.5	E88 G93 N218	G66-E88 WeakPolarHBondContact CA-OE2 3Å; G66-E88 PolarHBondContact N-OE2 3.44Å; G66-G93 PolarHBondContact O-N 2.99Å; G66-N218 PolarHBondContact O-ND2 2.82Å
67	G	98.4	Very high	98.5	Very high	14 Å²	14	14.9 Å²	14.9	14%	0.144	8%	0.079	C	C	.	.	S	Bend	trans	-76.9	-177.7	168.2	0	0	0	0	0	112.7	T69 G70 A71 N218	G67-T69 VanDerWaalsContact C-N 3.28Å; G67-T69 PolarHBondContact O-N 2.94Å; G67-G70 PolarHBondContact O-N 2.87Å; G67-A71 WeakPolarHBondContact O-CB 3.5Å; G67-A71 PolarHBondContact O-N 2.87Å; G67-N218 WeakPolarHBondContact CA-OD1 3.37Å; G67-N218 PolarHBondContact O-OD1 2.83Å
68	A	98.1	Very high	98.6	Very high	3 Å²	3	9.3 Å²	9.3	3%	0.025	5%	0.053	C	C	.	.	H	α-helix	trans	-58.1	-41.2	-169.2	0	0	0	0	0	112.6	G72 S97 N218 W425 Y428	A68-G72 PolarHBondContact O-N 3.38Å; A68-S97 PolarHBondContact N-OG 2.85Å; A68-N218 WeakPolarHBondContact CA-OD1 3.47Å; A68-N218 PolarHBondContact N-OD1 2.78Å; A68-W425 HydrophobicContact CB-CD2 4.49Å; A68-W425 HydrophobicContact CB-CG 4.39Å; A68-W425 HydrophobicContact CB-CZ2 4.33Å; A68-Y428 WeakPolarHBondContact O-CD2 3.44Å
69	T	97.8	Very high	98.5	Very high	26 Å²	26	6.1 Å²	6.1	16%	0.16	4%	0.038	C	C	.	.	H	α-helix	trans	-62.4	-53.4	175.2	-54.1	0	0	0	0	111.3	G67 A71 G72 V73 A277 I420	G67-T69 VanDerWaalsContact C-N 3.28Å; G67-T69 PolarHBondContact O-N 2.94Å; T69-A71 PolarHBondContact O-N 3.3Å; T69-G72 PolarHBondContact O-N 3.48Å; T69-V73 VanDerWaalsContact O-CG2 3.32Å; T69-V73 WeakPolarHBondContact O-CG2 3.44Å; T69-V73 PolarHBondContact O-N 2.95Å; T69-A277 HydrophobicContact CG2-CB 4.33Å; T69-I420 HydrophobicContact CG2-CB 4.26Å; T69-I420 HydrophobicContact CG2-CG1 3.54Å; T69-I420 HydrophobicContact CG2-CG2 3.6Å
70	G	98.8	Very high	98.4	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-65.9	-38.8	-178.5	0	0	0	0	0	113.4	G65 G67 G72 V73 A74 L86	G65-G70 WeakPolarHBondContact O-CA 3.45Å; G67-G70 PolarHBondContact O-N 2.87Å; G70-G72 VanDerWaalsContact C-N 3.34Å; G70-G72 PolarHBondContact O-N 3.48Å; G70-V73 PolarHBondContact O-N 2.95Å; G70-A74 WeakPolarHBondContact O-CB 3.5Å; G70-A74 PolarHBondContact O-N 2.79Å; G70-L86 WeakPolarHBondContact O-CD1 3.09Å
71	A	98.9	Very high	98.2	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-61.2	-42.8	172.6	0	0	0	0	0	111.7	G67 T69 A74 L75 L221 I222	G67-A71 WeakPolarHBondContact O-CB 3.5Å; G67-A71 PolarHBondContact O-N 2.87Å; T69-A71 PolarHBondContact O-N 3.3Å; A71-A74 PolarHBondContact O-N 2.73Å; A71-L75 WeakPolarHBondContact O-CB 3.33Å; A71-L75 PolarHBondContact O-N 2.86Å; A71-L221 HydrophobicContact CB-CB 3.82Å; A71-L221 HydrophobicContact CB-CD1 4.34Å; A71-I222 HydrophobicContact CB-CD1 3.51Å; A71-I222 HydrophobicContact CB-CG1 3.8Å
72	G	98.8	Very high	98.2	Very high	3 Å²	3	6.7 Å²	6.7	3%	0.031	5%	0.049	C	C	.	.	H	α-helix	trans	-62	-46.3	173.6	0	0	0	0	0	112.5	A68 T69 G70 A74 L75 D76 A432	A68-G72 PolarHBondContact O-N 3.38Å; T69-G72 PolarHBondContact O-N 3.48Å; G70-G72 VanDerWaalsContact C-N 3.34Å; G70-G72 PolarHBondContact O-N 3.48Å; G72-A74 VanDerWaalsContact C-N 3.34Å; G72-A74 PolarHBondContact O-N 3.04Å; G72-L75 PolarHBondContact O-N 3.06Å; G72-D76 WeakPolarHBondContact O-CB 3.44Å; G72-D76 PolarHBondContact O-N 3.48Å; G72-A432 WeakPolarHBondContact O-CB 3.23Å
73	V	98.9	Very high	98.2	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.006	7%	0.07	C	C	.	.	H	α-helix	trans	-60.4	-45.3	177.6	171.8	0	0	0	0	110.3	V63 T69 G70 D76 A77 V275 A432 T435 V436	V63-V73 HydrophobicContact CG1-CG1 4.46Å; V63-V73 HydrophobicContact CG2-CB 4.31Å; V63-V73 HydrophobicContact CG2-CG1 3.63Å; T69-V73 VanDerWaalsContact O-CG2 3.32Å; T69-V73 WeakPolarHBondContact O-CG2 3.44Å; T69-V73 PolarHBondContact O-N 2.95Å; G70-V73 PolarHBondContact O-N 2.95Å; V73-D76 PolarHBondContact O-N 2.87Å; V73-A77 VanDerWaalsContact O-CB 3.23Å; V73-A77 WeakPolarHBondContact O-CB 3.44Å; V73-A77 PolarHBondContact O-N 3.45Å; V73-V275 HydrophobicContact CG1-CG1 4.24Å; V73-V275 HydrophobicContact CG1-CG2 4.46Å; V73-A432 HydrophobicContact CG2-CB 4.02Å; V73-A432 VanDerWaalsContact N-CB 3.33Å; V73-T435 HydrophobicContact CG2-CG2 3.89Å; V73-V436 HydrophobicContact CB-CG2 4.49Å; V73-V436 HydrophobicContact CG1-CG2 3.89Å
74	A	98.9	Very high	98.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.2	-43.9	179.8	0	0	0	0	0	112.1	V63 G70 A71 G72 Q78 T84 L86 A225	V63-A74 HydrophobicContact CG2-CB 4.4Å; G70-A74 WeakPolarHBondContact O-CB 3.5Å; G70-A74 PolarHBondContact O-N 2.79Å; A71-A74 PolarHBondContact O-N 2.73Å; G72-A74 VanDerWaalsContact C-N 3.34Å; G72-A74 PolarHBondContact O-N 3.04Å; A74-Q78 WeakPolarHBondContact O-CB 3.2Å; A74-Q78 PolarHBondContact O-N 3.44Å; A74-T84 HydrophobicContact CB-CG2 4.17Å; A74-L86 HydrophobicContact CB-CB 4.27Å; A74-L86 HydrophobicContact CB-CD1 3.73Å; A74-A225 HydrophobicContact CB-CB 4.48Å
75	L	98.6	Very high	98.1	Very high	4 Å²	4	11.2 Å²	11.2	2%	0.021	7%	0.068	C	C	.	.	H	α-helix	trans	-63.8	-46.1	176.8	178.1	57.3	0	0	0	111.9	A71 G72 T79 L221 T224 A225 Y228 T453 L456 L458	A71-L75 WeakPolarHBondContact O-CB 3.33Å; A71-L75 PolarHBondContact O-N 2.86Å; G72-L75 PolarHBondContact O-N 3.06Å; L75-T79 HydrophobicContact CD1-CG2 3.88Å; L75-T79 WeakPolarHBondContact O-CB 3.36Å; L75-T79 VanDerWaalsContact O-CG2 3.23Å; L75-T79 WeakPolarHBondContact O-CG2 3.47Å; L75-T79 PolarHBondContact O-N 2.79Å; L75-T79 PolarHBondContact O-OG1 3.16Å; L75-L221 HydrophobicContact CD2-CD2 3.84Å; L75-T224 HydrophobicContact CD1-CG2 3.72Å; L75-T224 HydrophobicContact CD2-CG2 4.28Å; L75-A225 HydrophobicContact CB-CB 4.07Å; L75-A225 HydrophobicContact CD1-CB 4.3Å; L75-Y228 HydrophobicContact CD1-CD2 3.95Å; L75-Y228 HydrophobicContact CD1-CE2 4.43Å; L75-T453 HydrophobicContact CG-CG2 4.3Å; L75-L456 HydrophobicContact CD1-CD2 4.42Å; L75-L456 HydrophobicContact CD2-CD2 4.32Å; L75-L458 HydrophobicContact CD2-CD2 3.98Å
76	D	98.6	Very high	98.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-66.8	-47.6	179.9	-174.5	34.3	0	0	0	111.9	G72 V73 Q78 T79 R80 E433 V436 C451 T453	G72-D76 WeakPolarHBondContact O-CB 3.44Å; G72-D76 PolarHBondContact O-N 3.48Å; V73-D76 PolarHBondContact O-N 2.87Å; D76-Q78 PolarHBondContact O-N 3.27Å; D76-T79 PolarHBondContact O-N 3.11Å; D76-T79 PolarHBondContact O-OG1 3.24Å; D76-T79 VanDerWaalsContact O-OG1 3.13Å; D76-R80 VanDerWaalsContact CG-NE 3.27Å; D76-R80 VanDerWaalsContact O-CG 3.24Å; D76-R80 WeakPolarHBondContact O-CG 3.43Å; D76-R80 PolarHBondContact O-N 3.27Å; D76-R80 IonicContact OD1-CZ 3.25Å; D76-R80 IonicContact OD1-NE 3.32Å; D76-R80 PolarHBondContact OD1-NE 2.73Å; D76-R80 IonicContact OD1-NH2 2.76Å; D76-R80 IonicContact OD2-CZ 3.48Å; D76-R80 VanDerWaalsContact OD2-CZ 3.25Å; D76-R80 IonicContact OD2-NE 2.83Å; D76-R80 PolarHBondContact OD2-NE 2.81Å; D76-R80 VanDerWaalsContact OD2-NE 3.09Å; D76-R80 IonicContact OD2-NH2 3.14Å; D76-R80 PolarHBondContact OD2-NH2 3.44Å; D76-E433 WeakPolarHBondContact OD2-CA 3.16Å; D76-V436 HydrophobicContact CB-CG2 4.12Å; D76-V436 WeakPolarHBondContact OD2-CB 3.42Å; D76-C451 PolarHBondContact OD1-SG 2.93Å; D76-T453 HydrophobicContact CB-CG2 3.77Å
77	A	98.8	Very high	98.2	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-58.1	-48.1	177.2	0	0	0	0	0	111.7	V61 V73 T79 R80 L82 T84 V436	V61-A77 HydrophobicContact CB-CB 4.36Å; V61-A77 HydrophobicContact CG1-CB 4.49Å; V61-A77 HydrophobicContact CG2-CB 4.22Å; V73-A77 VanDerWaalsContact O-CB 3.23Å; V73-A77 WeakPolarHBondContact O-CB 3.44Å; V73-A77 PolarHBondContact O-N 3.45Å; A77-T79 PolarHBondContact O-N 3.07Å; A77-R80 PolarHBondContact O-N 3.42Å; A77-L82 HydrophobicContact CB-CB 4.49Å; A77-L82 HydrophobicContact CB-CD1 4.32Å; A77-L82 VanDerWaalsContact O-CB 3.32Å; A77-L82 WeakPolarHBondContact O-CB 3.26Å; A77-L82 PolarHBondContact O-N 3.36Å; A77-L82 VanDerWaalsContact O-N 3.13Å; A77-T84 HydrophobicContact CB-CG2 4.19Å; A77-T84 WeakPolarHBondContact CB-OG1 3.37Å; A77-V436 HydrophobicContact CB-CG1 4.33Å; A77-V436 HydrophobicContact CB-CG2 4.11Å
78	Q	98	Very high	98.2	Very high	30 Å²	30	11.2 Å²	11.2	14%	0.14	6%	0.063	C	C	.	.	H	α-helix	trans	-63.7	-41.5	-179.8	-173.2	66.7	26	0	0	112.3	A74 D76 R80 G81 L82 T84 Y228 G229 A230	A74-Q78 WeakPolarHBondContact O-CB 3.2Å; A74-Q78 PolarHBondContact O-N 3.44Å; D76-Q78 PolarHBondContact O-N 3.27Å; Q78-R80 PolarHBondContact O-N 3.03Å; Q78-G81 WeakPolarHBondContact O-CA 3.47Å; Q78-G81 PolarHBondContact O-N 3.19Å; Q78-L82 PolarHBondContact OE1-O 2.86Å; Q78-L82 VanDerWaalsContact OE1-O 3.09Å; Q78-T84 PolarHBondContact N-OG1 3.29Å; Q78-T84 VanDerWaalsContact OE1-N 3.08Å; Q78-Y228 WeakPolarHBondContact CG-O 3.46Å; Q78-Y228 PolarHBondContact NE2-O 2.81Å; Q78-G229 VanDerWaalsContact NE2-C 3.34Å; Q78-A230 HydrophobicContact CB-CB 3.98Å; Q78-A230 HydrophobicContact CG-CB 3.85Å
79	T	95.8	Very high	98.2	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.012	8%	0.075	C	C	.	.	H	α-helix	trans	-74.3	-13.6	179.7	55.9	0	0	0	0	113.8	F35 L75 D76 A77 Y228 N449 L456	F35-T79 WeakPolarHBondContact CE1-O 3.3Å; L75-T79 HydrophobicContact CD1-CG2 3.88Å; L75-T79 WeakPolarHBondContact O-CB 3.36Å; L75-T79 VanDerWaalsContact O-CG2 3.23Å; L75-T79 WeakPolarHBondContact O-CG2 3.47Å; L75-T79 PolarHBondContact O-N 2.79Å; L75-T79 PolarHBondContact O-OG1 3.16Å; D76-T79 PolarHBondContact O-N 3.11Å; D76-T79 PolarHBondContact O-OG1 3.24Å; D76-T79 VanDerWaalsContact O-OG1 3.13Å; A77-T79 PolarHBondContact O-N 3.07Å; T79-Y228 HydrophobicContact CG2-CD1 3.94Å; T79-Y228 HydrophobicContact CG2-CD2 3.76Å; T79-Y228 HydrophobicContact CG2-CE1 4.2Å; T79-Y228 HydrophobicContact CG2-CE2 4.05Å; T79-Y228 HydrophobicContact CG2-CG 3.72Å; T79-N449 PolarHBondContact O-ND2 3.1Å; T79-N449 PolarHBondContact O-OD1 2.92Å; T79-L456 HydrophobicContact CG2-CD1 3.89Å
80	R	95.7	Very high	98.2	Very high	8 Å²	8	14.5 Å²	14.5	3%	0.03	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	1	165.2	-66.8	175.3	-168.7	-142.3	15.9	113.4	D76 A77 Q78 E433 N437 P447 K448 N449	D76-R80 VanDerWaalsContact CG-NE 3.27Å; D76-R80 VanDerWaalsContact O-CG 3.24Å; D76-R80 WeakPolarHBondContact O-CG 3.43Å; D76-R80 PolarHBondContact O-N 3.27Å; D76-R80 IonicContact OD1-CZ 3.25Å; D76-R80 IonicContact OD1-NE 3.32Å; D76-R80 PolarHBondContact OD1-NE 2.73Å; D76-R80 IonicContact OD1-NH2 2.76Å; D76-R80 IonicContact OD2-CZ 3.48Å; D76-R80 VanDerWaalsContact OD2-CZ 3.25Å; D76-R80 IonicContact OD2-NE 2.83Å; D76-R80 PolarHBondContact OD2-NE 2.81Å; D76-R80 VanDerWaalsContact OD2-NE 3.09Å; D76-R80 IonicContact OD2-NH2 3.14Å; D76-R80 PolarHBondContact OD2-NH2 3.44Å; A77-R80 PolarHBondContact O-N 3.42Å; Q78-R80 PolarHBondContact O-N 3.03Å; R80-E433 PolarHBondContact NH2-O 3.32Å; R80-N437 PolarHBondContact NH1-OD1 3.1Å; R80-N437 PolarHBondContact NH2-OD1 3.19Å; R80-P447 HydrophobicContact CB-CB 3.88Å; R80-P447 CarbonylContact O-C 3.58Å; R80-K448 PolarHBondContact O-N 3.06Å; R80-N449 WeakPolarHBondContact CG-O 3.4Å
81	G	95.4	Very high	98.2	Very high	34 Å²	34	14.5 Å²	14.5	35%	0.351	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	16.1	-179.6	0	0	0	0	0	114.5	Q78	Q78-G81 WeakPolarHBondContact O-CA 3.47Å; Q78-G81 PolarHBondContact O-N 3.19Å
82	L	98.3	Very high	98.2	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.01	8%	0.079	C	C	.	.			trans	-84.6	129.8	173.2	-58.3	171.6	0	0	0	109.2	D60 V61 A77 Q78 T84 V436 V440 L445 P447	D60-L82 HydrophobicContact CB-CB 3.98Å; D60-L82 HydrophobicContact CB-CD2 4.2Å; V61-L82 HydrophobicContact CG2-CB 4.37Å; V61-L82 HydrophobicContact CG2-CD1 4.03Å; A77-L82 HydrophobicContact CB-CB 4.49Å; A77-L82 HydrophobicContact CB-CD1 4.32Å; A77-L82 VanDerWaalsContact O-CB 3.32Å; A77-L82 WeakPolarHBondContact O-CB 3.26Å; A77-L82 PolarHBondContact O-N 3.36Å; A77-L82 VanDerWaalsContact O-N 3.13Å; Q78-L82 PolarHBondContact OE1-O 2.86Å; Q78-L82 VanDerWaalsContact OE1-O 3.09Å; L82-T84 PolarHBondContact O-N 3.4Å; L82-T84 PolarHBondContact O-OG1 2.93Å; L82-V436 HydrophobicContact CD1-CG1 4.3Å; L82-V440 HydrophobicContact CD1-CG2 4.23Å; L82-L445 HydrophobicContact CD1-CD1 4.14Å; L82-L445 HydrophobicContact CD2-CB 4.02Å; L82-P447 HydrophobicContact CD1-CB 4.49Å; L82-P447 HydrophobicContact CD2-CB 4.16Å; L82-P447 HydrophobicContact CG-CB 4.26Å
83	K	98.3	Very high	98.1	Very high	101 Å²	101	14.5 Å²	14.5	44%	0.439	8%	0.078	S	C	.	.			trans	-66.8	110.1	177.3	-166.6	-166.2	-61.3	171.7	0	109.1	T56 E58 F59 D60 V61	T56-K83 HydrophobicContact CG2-CD 3.61Å; E58-K83 PolarHBondContact O-NZ 3.43Å; F59-K83 HydrophobicContact CD1-CD 3.9Å; F59-K83 HydrophobicContact CD1-CG 3.77Å; F59-K83 HydrophobicContact CE1-CD 4.13Å; F59-K83 HydrophobicContact CE1-CG 4.09Å; D60-K83 PolarHBondContact N-O 2.86Å; D60-K83 WeakPolarHBondContact OD2-CB 3.23Å; D60-K83 PolarHBondContact OD2-N 3.04Å; V61-K83 PolarHBondContact N-O 3.29Å
84	T	98.9	Very high	98	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.006	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.9	-167.4	-56.1	0	0	0	0	112.4	V61 V63 A74 A77 Q78 L82 Q231	V61-T84 HydrophobicContact CB-CG2 4.41Å; V61-T84 WeakPolarHBondContact O-CA 3.38Å; V63-T84 HydrophobicContact CG2-CG2 4.42Å; A74-T84 HydrophobicContact CB-CG2 4.17Å; A77-T84 HydrophobicContact CB-CG2 4.19Å; A77-T84 WeakPolarHBondContact CB-OG1 3.37Å; Q78-T84 PolarHBondContact N-OG1 3.29Å; Q78-T84 VanDerWaalsContact OE1-N 3.08Å; L82-T84 PolarHBondContact O-N 3.4Å; L82-T84 PolarHBondContact O-OG1 2.93Å; T84-Q231 PolarHBondContact O-N 3.47Å
85	A	98.9	Very high	97.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	148.7	167.4	0	0	0	0	0	110.4	L53 F59 V61 L62 V63 Q231	L53-A85 HydrophobicContact CD2-CB 3.65Å; F59-A85 HydrophobicContact CD1-CB 3.71Å; F59-A85 HydrophobicContact CD2-CB 3.93Å; F59-A85 HydrophobicContact CE1-CB 3.81Å; F59-A85 HydrophobicContact CE2-CB 4.02Å; F59-A85 HydrophobicContact CG-CB 3.79Å; F59-A85 HydrophobicContact CZ-CB 3.97Å; V61-A85 PolarHBondContact O-N 3Å; L62-A85 CarbonylContact C-O 3.2Å; L62-A85 WeakPolarHBondContact CA-O 3.26Å; L62-A85 HydrophobicContact CD1-CB 3.74Å; V63-A85 PolarHBondContact N-O 3.25Å; A85-Q231 CarbonylContact C-O 3.58Å; A85-Q231 WeakPolarHBondContact CA-O 3.31Å
86	L	98.9	Very high	97.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	134	171.2	179.1	151.5	0	0	0	109.9	V63 G70 A74 E88 F92 I222 Q231 C232 I233	V63-L86 HydrophobicContact CB-CB 4.2Å; V63-L86 HydrophobicContact CB-CD1 4.09Å; V63-L86 HydrophobicContact CB-CG 4.15Å; V63-L86 HydrophobicContact CG1-CD1 4.02Å; V63-L86 HydrophobicContact CG1-CG 4.43Å; V63-L86 VanDerWaalsContact O-CA 3.31Å; V63-L86 WeakPolarHBondContact O-CA 3.47Å; G70-L86 WeakPolarHBondContact O-CD1 3.09Å; A74-L86 HydrophobicContact CB-CB 4.27Å; A74-L86 HydrophobicContact CB-CD1 3.73Å; L86-E88 HydrophobicContact CD2-CB 4.4Å; L86-F92 HydrophobicContact CD2-CD1 4.26Å; L86-F92 HydrophobicContact CD2-CE1 3.76Å; L86-I222 HydrophobicContact CD1-CD1 3.93Å; L86-I222 HydrophobicContact CD2-CD1 4.17Å; L86-Q231 PolarHBondContact N-O 3.28Å; L86-C232 HydrophobicContact CB-CB 4.12Å; L86-C232 HydrophobicContact CD2-CB 4.28Å; L86-C232 CarbonylContact O-C 3.54Å; L86-C232 WeakPolarHBondContact O-CA 3.07Å; L86-I233 PolarHBondContact O-N 3.24Å
87	V	98.9	Very high	97.6	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.012	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	133.7	174.5	-65.4	0	0	0	0	110.5	L62 V63 I64 G65 I233 V236 V238 I269	L62-V87 HydrophobicContact CD1-CG1 4.43Å; L62-V87 HydrophobicContact CD1-CG2 4.35Å; V63-V87 PolarHBondContact O-N 3.33Å; I64-V87 HydrophobicContact CG1-CG2 4.47Å; I64-V87 HydrophobicContact CG2-CG2 4.5Å; G65-V87 PolarHBondContact N-O 3.01Å; V87-I233 HydrophobicContact CG1-CG2 3.89Å; V87-V236 HydrophobicContact CB-CB 4.38Å; V87-V236 HydrophobicContact CB-CG1 4.15Å; V87-V236 HydrophobicContact CG1-CB 4.42Å; V87-V236 HydrophobicContact CG1-CG1 3.91Å; V87-V238 HydrophobicContact CG2-CG2 3.56Å; V87-I269 HydrophobicContact CG1-CD1 3.68Å
88	E	98.8	Very high	97.5	Very high	19 Å²	19	19.7 Å²	19.7	9%	0.089	12%	0.117	C	C	.	.			trans	-124	129	177.6	167.9	52.4	-113.3	0	0	109.8	G66 L86 D90 D91 F92 I233 N234 H235 V236	G66-E88 WeakPolarHBondContact CA-OE2 3Å; G66-E88 PolarHBondContact N-OE2 3.44Å; L86-E88 HydrophobicContact CD2-CB 4.4Å; E88-D90 WeakPolarHBondContact CG-O 3.44Å; E88-D90 PolarHBondContact OE1-N 2.94Å; E88-D91 WeakPolarHBondContact CG-O 3.45Å; E88-F92 HydrophobicContact CB-CD1 3.99Å; E88-F92 HydrophobicContact CB-CE1 4.11Å; E88-F92 HydrophobicContact CG-CD1 4.26Å; E88-I233 PolarHBondContact N-O 3.32Å; E88-N234 CarbonylContact O-C 3.56Å; E88-H235 PolarHBondContact O-N 3.19Å; E88-V236 CarbonylContact C-O 3.55Å; E88-V236 VanDerWaalsContact C-O 3.25Å; E88-V236 CarbonylContact O-C 3.58Å; E88-V236 PolarHBondContact O-N 3.22Å; E88-V236 VanDerWaalsContact O-O 3.12Å
89	M	98.2	Very high	97.4	Very high	54 Å²	54	19 Å²	19	27%	0.266	11%	0.114	S	C	.	.	S	Bend	trans	-65.7	-37.9	-174.5	177.6	-176.7	79.1	0	0	113	V236 E237 R261 D351	M89-V236 PolarHBondContact N-O 3.07Å; M89-E237 HydrophobicContact CB-CB 4.4Å; M89-E237 HydrophobicContact CG-CB 3.88Å; M89-E237 HydrophobicContact CG-CG 3.79Å; M89-E237 HydrophobicContact SD-CG 4.12Å; M89-R261 WeakPolarHBondContact O-CD 3.01Å; M89-R261 PolarHBondContact O-NH1 2.85Å; M89-R261 VanDerWaalsContact O-NH1 3.14Å; M89-D351 HydrophobicContact CE-CB 4.26Å
90	D	97.7	Very high	97.3	Very high	44 Å²	44	20 Å²	20	24%	0.235	12%	0.121	C	C	.	.	S	Bend	trans	-113.8	-129	173.5	-175.1	49.9	0	0	0	108.6	E88 S94 N234 H235 R543	E88-D90 WeakPolarHBondContact CG-O 3.44Å; E88-D90 PolarHBondContact OE1-N 2.94Å; D90-S94 WeakPolarHBondContact OD2-CB 3.41Å; D90-N234 WeakPolarHBondContact O-CB 3.44Å; D90-H235 WeakPolarHBondContact O-CA 3.18Å; D90-H235 PolarHBondContact O-N 3.38Å; D90-H235 IonicContact OD1-CE1 3.13Å; D90-H235 PolarHBondContact OD1-CE1 3.34Å; D90-H235 IonicContact OD1-ND1 2.72Å; D90-R543 IonicContact OD2-CZ 2.82Å; D90-R543 IonicContact OD2-NH1 2.79Å; D90-R543 IonicContact OD2-NH2 2.76Å; D90-R543 PolarHBondContact OD2-NH2 3.45Å
91	D	98.6	Very high	97.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-99.5	161.7	173.4	-177.2	36.5	0	0	0	112.5	E88 G93 S94 N234 D539 R543 R544	E88-D91 WeakPolarHBondContact CG-O 3.45Å; D91-G93 PolarHBondContact O-N 3.49Å; D91-G93 VanDerWaalsContact O-N 3.1Å; D91-S94 WeakPolarHBondContact O-CB 3.3Å; D91-S94 PolarHBondContact O-N 2.77Å; D91-S94 PolarHBondContact O-OG 2.91Å; D91-N234 PolarHBondContact OD1-ND2 3.11Å; D91-D539 HydrophobicContact CB-CB 4.4Å; D91-D539 WeakPolarHBondContact CB-OD1 3.46Å; D91-D539 VanDerWaalsContact CG-CG 3.49Å; D91-D539 WeakPolarHBondContact OD2-CB 3.31Å; D91-R543 WeakPolarHBondContact OD2-CD 3.33Å; D91-R543 IonicContact OD2-CZ 3.69Å; D91-R543 IonicContact OD2-NE 3.99Å; D91-R543 PolarHBondContact OD2-NE 3.5Å; D91-R543 IonicContact OD2-NH2 2.74Å; D91-R544 IonicContact OD1-CZ 3.58Å; D91-R544 IonicContact OD1-NH1 2.89Å; D91-R544 IonicContact OD1-NH2 3.28Å; D91-R544 PolarHBondContact OD1-NH2 3.28Å; D91-R544 VanDerWaalsContact OD1-NH2 3.13Å; D91-R544 IonicContact OD2-CZ 2.73Å; D91-R544 IonicContact OD2-NH1 3.11Å; D91-R544 PolarHBondContact OD2-NH1 3.13Å; D91-R544 IonicContact OD2-NH2 3.28Å; D91-R544 PolarHBondContact OD2-NH2 3.5Å
92	F	98.8	Very high	97.2	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.009	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	120.5	-175.9	-61.2	-56.9	0	0	0	111.6	L86 E88 S94 L219 I222 C232 I233 N234 Y533 R543	L86-F92 HydrophobicContact CD2-CD1 4.26Å; L86-F92 HydrophobicContact CD2-CE1 3.76Å; E88-F92 HydrophobicContact CB-CD1 3.99Å; E88-F92 HydrophobicContact CB-CE1 4.11Å; E88-F92 HydrophobicContact CG-CD1 4.26Å; F92-S94 VanDerWaalsContact C-N 3.32Å; F92-L219 HydrophobicContact CD2-CD1 4.18Å; F92-I222 HydrophobicContact CB-CG1 4.17Å; F92-I222 HydrophobicContact CD1-CD1 4.02Å; F92-I222 HydrophobicContact CD1-CG1 3.96Å; F92-I222 HydrophobicContact CD1-CG2 4.11Å; F92-I222 HydrophobicContact CD2-CG2 3.84Å; F92-I222 HydrophobicContact CE1-CD1 4.3Å; F92-I222 HydrophobicContact CE1-CG2 4Å; F92-I222 HydrophobicContact CE2-CG2 3.7Å; F92-I222 HydrophobicContact CG-CB 4.42Å; F92-I222 HydrophobicContact CG-CG1 4Å; F92-I222 HydrophobicContact CG-CG2 4.03Å; F92-I222 HydrophobicContact CZ-CG2 3.78Å; F92-C232 HydrophobicContact CE1-CB 4.38Å; F92-C232 HydrophobicContact CZ-CB 4.22Å; F92-I233 VanDerWaalsContact CZ-C 3.5Å; F92-N234 HydrophobicContact CD1-CB 4.23Å; F92-N234 HydrophobicContact CD2-CB 4.07Å; F92-N234 HydrophobicContact CE1-CB 3.96Å; F92-N234 HydrophobicContact CE2-CB 3.81Å; F92-N234 HydrophobicContact CG-CB 4.29Å; F92-N234 HydrophobicContact CZ-CB 3.77Å; F92-Y533 HydrophobicContact CE2-CD2 4.3Å; F92-Y533 HydrophobicContact CE2-CG 4.44Å; F92-R543 WeakPolarHBondContact O-CD 3.44Å
93	G	97.6	Very high	97.1	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.01	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	12.6	-179.6	0	0	0	0	0	115.1	G66 D91 G95 S98 N218	G66-G93 PolarHBondContact O-N 2.99Å; D91-G93 PolarHBondContact O-N 3.49Å; D91-G93 VanDerWaalsContact O-N 3.1Å; G93-G95 VanDerWaalsContact C-N 3.28Å; G93-G95 PolarHBondContact O-N 2.88Å; G93-S98 WeakPolarHBondContact O-CB 3.17Å; G93-S98 PolarHBondContact O-N 3.41Å; G93-S98 PolarHBondContact O-OG 3.32Å; G93-N218 WeakPolarHBondContact CA-ND2 3.27Å; G93-N218 PolarHBondContact N-ND2 3.17Å; G93-N218 VanDerWaalsContact N-ND2 3.2Å
94	S	96.8	Very high	96.9	Very high	18 Å²	18	15.6 Å²	15.6	13%	0.126	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-35.5	-179.7	57.7	0	0	0	0	114.9	D90 D91 F92	D90-S94 WeakPolarHBondContact OD2-CB 3.41Å; D91-S94 WeakPolarHBondContact O-CB 3.3Å; D91-S94 PolarHBondContact O-N 2.77Å; D91-S94 PolarHBondContact O-OG 2.91Å; F92-S94 VanDerWaalsContact C-N 3.32Å
95	G	95.1	Very high	96.4	Very high	31 Å²	31	17.4 Å²	17.4	32%	0.32	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-136.1	177.5	0	0	0	0	0	113.4	G93 S97	G93-G95 VanDerWaalsContact C-N 3.28Å; G93-G95 PolarHBondContact O-N 2.88Å; G95-S97 PolarHBondContact O-N 3.43Å; G95-S97 VanDerWaalsContact O-N 3.11Å
96	T	94.8	Very high	95.5	Very high	45 Å²	45	17.4 Å²	17.4	28%	0.276	10%	0.104	S	C	.	.	G	3₁₀ helix	trans	-55.5	-33.6	-175.3	-50.6	0	0	0	0	114.1	S98 R99 L389	T96-S98 VanDerWaalsContact C-N 3.26Å; T96-S98 PolarHBondContact O-N 3.4Å; T96-R99 PolarHBondContact O-N 3.45Å; T96-R99 VanDerWaalsContact O-N 3.14Å; T96-L389 VanDerWaalsContact CB-O 3.32Å; T96-L389 WeakPolarHBondContact CB-O 3.47Å; T96-L389 WeakPolarHBondContact CG2-O 3.46Å; T96-L389 PolarHBondContact OG1-O 3.36Å
97	S	96.5	Very high	94.7	Very high	18 Å²	18	17.4 Å²	17.4	13%	0.126	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-71.9	-13.5	-166.8	-63.3	0	0	0	0	115	A68 G95 D214 W425	A68-S97 PolarHBondContact N-OG 2.85Å; G95-S97 PolarHBondContact O-N 3.43Å; G95-S97 VanDerWaalsContact O-N 3.11Å; S97-D214 WeakPolarHBondContact O-CB 3.39Å; S97-W425 PolarHBondContact O-NE1 2.98Å
98	S	96.8	Very high	93.9	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.007	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-106.7	3.7	174.5	63.8	0	0	0	0	113.8	G93 T96 K102 R546	G93-S98 WeakPolarHBondContact O-CB 3.17Å; G93-S98 PolarHBondContact O-N 3.41Å; G93-S98 PolarHBondContact O-OG 3.32Å; T96-S98 VanDerWaalsContact C-N 3.26Å; T96-S98 PolarHBondContact O-N 3.4Å; S98-K102 PolarHBondContact O-NZ 3.37Å; S98-R546 PolarHBondContact O-NH2 3.41Å
99	R	96	Very high	92.9	Very high	16 Å²	16	24.3 Å²	24.3	6%	0.06	13%	0.133	C	C	.	.	S	Bend	trans	-123.9	40.4	-173.5	-67.1	161.4	179	-85.7	6	110.7	T96 D214 W386 A387 F549	T96-R99 PolarHBondContact O-N 3.45Å; T96-R99 VanDerWaalsContact O-N 3.14Å; R99-D214 PolarHBondContact N-OD2 2.78Å; R99-W386 VanDerWaalsContact C-CZ3 3.45Å; R99-W386 HydrophobicContact CB-CE3 4.01Å; R99-W386 HydrophobicContact CB-CZ3 3.9Å; R99-W386 HydrophobicContact CG-CE3 4.24Å; R99-W386 WeakPolarHBondContact O-CZ3 3.36Å; R99-A387 WeakPolarHBondContact CD-O 3.47Å; R99-A387 PolarHBondContact NH1-O 3.37Å; R99-F549 HydrophobicContact CG-CE1 3.93Å; R99-F549 HydrophobicContact CG-CZ 3.88Å
100	S	94.3	Very high	91.7	Very high	24 Å²	24	24 Å²	24	17%	0.168	13%	0.129	C	C	.	.	S	Bend	trans	-92.6	169.9	177.4	76.5	0	0	0	0	112.4	K102 D214 W386	S100-K102 PolarHBondContact O-N 3.07Å; S100-K102 PolarHBondContact O-NZ 3.42Å; S100-K102 PolarHBondContact OG-N 3.32Å; S100-D214 WeakPolarHBondContact CB-OD2 3.41Å; S100-D214 PolarHBondContact N-OD2 3.03Å; S100-D214 WeakPolarHBondContact OG-CB 3.46Å; S100-D214 PolarHBondContact OG-OD2 2.92Å; S100-W386 WeakPolarHBondContact O-CH2 3.45Å
101	T	94	Very high	91	Very high	31 Å²	31	22 Å²	22	19%	0.19	12%	0.118	C	C	.	.			trans	-71.2	11.1	168.3	-47.3	0	0	0	0	112.5	L103 H304 F330 L332 M339	T101-L103 HydrophobicContact CG2-CD1 4.28Å; T101-L103 HydrophobicContact CG2-CG 4.44Å; T101-L103 PolarHBondContact O-N 3.2Å; T101-H304 PolarHBondContact OG1-CE1 3.46Å; T101-H304 PolarHBondContact OG1-NE2 3.15Å; T101-F330 HydrophobicContact CG2-CB 4.27Å; T101-F330 HydrophobicContact CG2-CD2 4.19Å; T101-F330 HydrophobicContact CG2-CG 4.41Å; T101-L332 HydrophobicContact CG2-CD1 3.89Å; T101-L332 WeakPolarHBondContact O-CD1 3.21Å; T101-M339 HydrophobicContact CG2-CE 4.31Å; T101-M339 WeakPolarHBondContact O-CE 3.25Å
102	K	95.8	Very high	90.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	59.5	12.5	177.7	-47.1	-66.6	178	-88.1	0	114.3	S98 S100 Q211 H212 D214 W334 M339	S98-K102 PolarHBondContact O-NZ 3.37Å; S100-K102 PolarHBondContact O-N 3.07Å; S100-K102 PolarHBondContact O-NZ 3.42Å; S100-K102 PolarHBondContact OG-N 3.32Å; K102-Q211 HydrophobicContact CB-CG 4.34Å; K102-Q211 CarbonylContact O-C 3.52Å; K102-Q211 VanDerWaalsContact O-CA 3.22Å; K102-Q211 WeakPolarHBondContact O-CA 3.44Å; K102-Q211 WeakPolarHBondContact O-CG 3.3Å; K102-H212 PolarHBondContact O-CD2 3.06Å; K102-H212 PolarHBondContact O-N 3.34Å; K102-D214 HydrophobicContact CD-CB 4.18Å; K102-D214 VanDerWaalsContact CD-CG 3.4Å; K102-D214 VanDerWaalsContact CD-OD1 3.28Å; K102-D214 WeakPolarHBondContact CD-OD1 3.35Å; K102-D214 WeakPolarHBondContact CD-OD2 3.36Å; K102-D214 VanDerWaalsContact CE-CG 3.47Å; K102-D214 WeakPolarHBondContact CE-OD1 3.27Å; K102-D214 WeakPolarHBondContact CE-OD2 3.49Å; K102-D214 IonicContact NZ-OD1 3.3Å; K102-D214 PolarHBondContact NZ-OD1 3.38Å; K102-D214 IonicContact NZ-OD2 2.71Å; K102-D214 PolarHBondContact NZ-OD2 2.98Å; K102-W334 HydrophobicContact CD-CZ2 4.15Å; K102-W334 HydrophobicContact CG-CD2 4.42Å; K102-W334 HydrophobicContact CG-CG 4.37Å; K102-M339 HydrophobicContact CB-CE 3.86Å; K102-M339 HydrophobicContact CG-CE 3.61Å; K102-M339 HydrophobicContact CG-SD 3.83Å
103	L	95.1	Very high	89.4	Confident	20 Å²	20	28 Å²	28	11%	0.105	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	137	176.7	-70.1	177.3	0	0	0	110.7	T101 H105 L147 I149 G210 F330 L332	T101-L103 HydrophobicContact CG2-CD1 4.28Å; T101-L103 HydrophobicContact CG2-CG 4.44Å; T101-L103 PolarHBondContact O-N 3.2Å; L103-H105 PolarHBondContact O-N 2.85Å; L103-L147 HydrophobicContact CD2-CD2 3.93Å; L103-I149 HydrophobicContact CD1-CD1 4.45Å; L103-I149 HydrophobicContact CD2-CD1 4.12Å; L103-G210 CarbonylContact C-O 3.49Å; L103-G210 WeakPolarHBondContact CA-O 3.43Å; L103-G210 WeakPolarHBondContact CD2-O 3.35Å; L103-F330 HydrophobicContact CD1-CD1 3.78Å; L103-F330 HydrophobicContact CD1-CD2 4.41Å; L103-F330 HydrophobicContact CD1-CE1 3.61Å; L103-F330 HydrophobicContact CD1-CE2 4.29Å; L103-F330 HydrophobicContact CD1-CG 4.17Å; L103-F330 HydrophobicContact CD1-CZ 3.89Å; L103-L332 HydrophobicContact CD1-CD1 3.88Å; L103-L332 HydrophobicContact CD2-CD1 3.74Å; L103-L332 HydrophobicContact CD2-CD2 4.47Å; L103-L332 HydrophobicContact CG-CD1 3.59Å
104	I	94.1	Very high	88.5	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	74.1	167.1	-49.5	164.9	0	0	0	107.2	G106 R133 L136 D209 G210 H212 T426	I104-G106 PolarHBondContact O-N 3Å; I104-R133 HydrophobicContact CB-CG 4.18Å; I104-R133 HydrophobicContact CG2-CB 3.82Å; I104-R133 HydrophobicContact CG2-CG 3.83Å; I104-R133 WeakPolarHBondContact O-CD 3.36Å; I104-R133 VanDerWaalsContact O-CG 3.26Å; I104-R133 WeakPolarHBondContact O-CG 3.42Å; I104-L136 HydrophobicContact CD1-CB 4.15Å; I104-L136 HydrophobicContact CD1-CD1 4.34Å; I104-L136 HydrophobicContact CG1-CD1 4.41Å; I104-L136 HydrophobicContact CG2-CD1 3.51Å; I104-D209 VanDerWaalsContact O-OD1 3.12Å; I104-G210 PolarHBondContact N-O 2.96Å; I104-H212 HydrophobicContact CD1-CB 3.75Å; I104-H212 HydrophobicContact CG1-CB 4Å; I104-T426 WeakPolarHBondContact CA-OG1 3.37Å; I104-T426 HydrophobicContact CG2-CG2 3.6Å
105	H	87.9	Confident	88	Confident	39 Å²	39	31.5 Å²	31.5	18%	0.181	17%	0.168	C	C	.	.			trans	-71.4	121.4	-166.6	-170.3	43.4	0	0	0	113.5	L103 G107 D209 T426	L103-H105 PolarHBondContact O-N 2.85Å; H105-G107 VanDerWaalsContact C-N 3.28Å; H105-G107 WeakPolarHBondContact NE2-CA 3.38Å; H105-G107 PolarHBondContact O-N 3.07Å; H105-D209 WeakPolarHBondContact CA-OD2 3.33Å; H105-D209 IonicContact CE1-OD2 3.12Å; H105-D209 IonicContact CG-OD2 2.97Å; H105-D209 IonicContact ND1-OD2 2.76Å; H105-D209 PolarHBondContact ND1-OD2 3.37Å; H105-T426 PolarHBondContact N-OG1 3.37Å; H105-T426 VanDerWaalsContact N-OG1 3.14Å
106	G	81.4	Confident	87.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.182	C	C	.	.			trans	-80.4	-1.2	175.8	0	0	0	0	0	115.3	I104 Y169 D209	I104-G106 PolarHBondContact O-N 3Å; G106-Y169 WeakPolarHBondContact CA-OH 3.37Å; G106-D209 PolarHBondContact N-OD1 2.92Å
107	G	82.4	Confident	87.2	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.			trans	89.9	32.9	165.2	0	0	0	0	0	116.7	H105 R109 Y110 L111	H105-G107 VanDerWaalsContact C-N 3.28Å; H105-G107 WeakPolarHBondContact NE2-CA 3.38Å; H105-G107 PolarHBondContact O-N 3.07Å; G107-R109 PolarHBondContact O-N 2.88Å; G107-R109 VanDerWaalsContact O-N 3.1Å; G107-Y110 WeakPolarHBondContact O-CB 3.47Å; G107-Y110 PolarHBondContact O-N 3.12Å; G107-L111 PolarHBondContact O-N 3.31Å
108	V	81.2	Confident	86.6	Confident	34 Å²	34	49.1 Å²	49.1	21%	0.206	24%	0.235	C	C	.	.	H	α-helix	trans	-48.1	-40	-179.4	72.1	0	0	0	0	114.1	L111 Q112 I166 Y169	V108-L111 WeakPolarHBondContact O-CB 3.33Å; V108-L111 PolarHBondContact O-N 2.83Å; V108-Q112 PolarHBondContact O-N 3.4Å; V108-I166 HydrophobicContact CG2-CD1 3.65Å; V108-Y169 HydrophobicContact CB-CD1 4.47Å; V108-Y169 HydrophobicContact CB-CD2 3.99Å; V108-Y169 HydrophobicContact CB-CE1 4.46Å; V108-Y169 HydrophobicContact CB-CE2 3.99Å; V108-Y169 HydrophobicContact CB-CG 4.21Å; V108-Y169 HydrophobicContact CG2-CD1 4.23Å; V108-Y169 HydrophobicContact CG2-CD2 4.04Å; V108-Y169 HydrophobicContact CG2-CG 3.86Å
109	R	77	Confident	86	Confident	133 Å²	133	51.6 Å²	51.6	50%	0.502	25%	0.248	S	C	.	.	H	α-helix	trans	-70.3	-33.6	179.3	-171.7	174.1	178.3	158.5	1.4	112.9	G107 L111 Q112 S113 V328	G107-R109 PolarHBondContact O-N 2.88Å; G107-R109 VanDerWaalsContact O-N 3.1Å; R109-L111 VanDerWaalsContact C-N 3.29Å; R109-Q112 PolarHBondContact O-N 2.97Å; R109-S113 PolarHBondContact O-N 2.77Å; R109-V328 VanDerWaalsContact NH1-CG2 3.26Å
110	Y	74.6	Confident	85.5	Confident	46 Å²	46	58.7 Å²	58.7	18%	0.18	28%	0.275	C	S	.	.	H	α-helix	trans	-68.7	-33.6	175.7	-58.7	-72.7	0	0	0	110.7	G107 Q112 S113 A114	G107-Y110 WeakPolarHBondContact O-CB 3.47Å; G107-Y110 PolarHBondContact O-N 3.12Å; Y110-Q112 VanDerWaalsContact C-N 3.34Å; Y110-Q112 PolarHBondContact O-N 2.58Å; Y110-S113 PolarHBondContact O-N 2.98Å; Y110-A114 VanDerWaalsContact O-CB 3.31Å; Y110-A114 WeakPolarHBondContact O-CB 3.3Å; Y110-A114 PolarHBondContact O-N 3.22Å
111	L	82.5	Confident	85	Confident	4 Å²	4	61.8 Å²	61.8	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-42.2	176.1	-176.6	60.3	0	0	0	111.9	G107 V108 R109 S113 A114 I115 Y123 V126 Y169 V172	G107-L111 PolarHBondContact O-N 3.31Å; V108-L111 WeakPolarHBondContact O-CB 3.33Å; V108-L111 PolarHBondContact O-N 2.83Å; R109-L111 VanDerWaalsContact C-N 3.29Å; L111-S113 VanDerWaalsContact C-N 3.32Å; L111-S113 PolarHBondContact O-N 2.95Å; L111-A114 PolarHBondContact O-N 3.27Å; L111-I115 HydrophobicContact CD1-CD1 3.9Å; L111-I115 HydrophobicContact CD1-CG1 4.08Å; L111-I115 HydrophobicContact CD2-CD1 4.45Å; L111-I115 HydrophobicContact CG-CD1 3.8Å; L111-I115 HydrophobicContact CG-CG1 4.39Å; L111-I115 VanDerWaalsContact O-CG1 3.3Å; L111-I115 WeakPolarHBondContact O-CG1 3.41Å; L111-I115 PolarHBondContact O-N 3.03Å; L111-Y123 HydrophobicContact CD1-CD2 3.9Å; L111-Y123 HydrophobicContact CD1-CE2 4.14Å; L111-V126 HydrophobicContact CB-CG1 4.23Å; L111-V126 HydrophobicContact CB-CG2 4.17Å; L111-V126 HydrophobicContact CD1-CG1 4.45Å; L111-Y169 HydrophobicContact CD2-CD2 3.94Å; L111-Y169 HydrophobicContact CD2-CG 4.38Å; L111-V172 HydrophobicContact CD1-CG2 4.04Å; L111-V172 HydrophobicContact CD2-CB 4.26Å; L111-V172 HydrophobicContact CD2-CG2 4.02Å
112	Q	83.4	Confident	84.4	Confident	89 Å²	89	62.1 Å²	62.1	42%	0.416	29%	0.287	S	S	.	.	H	α-helix	trans	-58.4	-46	175.1	-175.1	-173.3	-12.9	0	0	111.2	V108 R109 Y110 L116 Y161	V108-Q112 PolarHBondContact O-N 3.4Å; R109-Q112 PolarHBondContact O-N 2.97Å; Y110-Q112 VanDerWaalsContact C-N 3.34Å; Y110-Q112 PolarHBondContact O-N 2.58Å; Q112-L116 HydrophobicContact CG-CD1 3.92Å; Q112-L116 WeakPolarHBondContact O-CB 3.37Å; Q112-L116 VanDerWaalsContact O-CG 3.26Å; Q112-L116 WeakPolarHBondContact O-CG 3.3Å; Q112-L116 PolarHBondContact O-N 3.17Å; Q112-Y161 PolarHBondContact NE2-OH 3.14Å
113	S	79.6	Confident	84	Confident	39 Å²	39	65.4 Å²	65.4	27%	0.273	30%	0.3	S	S	.	.	H	α-helix	trans	-65.7	-41.2	177.9	-64.2	0	0	0	0	112.3	R109 Y110 L111 I115 L116 K117	R109-S113 PolarHBondContact O-N 2.77Å; Y110-S113 PolarHBondContact O-N 2.98Å; L111-S113 VanDerWaalsContact C-N 3.32Å; L111-S113 PolarHBondContact O-N 2.95Å; S113-I115 PolarHBondContact O-N 3.48Å; S113-L116 PolarHBondContact O-N 3.25Å; S113-K117 VanDerWaalsContact O-CB 3.28Å; S113-K117 WeakPolarHBondContact O-CB 3.34Å; S113-K117 WeakPolarHBondContact O-CG 3.48Å; S113-K117 PolarHBondContact O-N 3.47Å
114	A	80.4	Confident	83.6	Confident	5 Å²	5	69 Å²	69	4%	0.041	31%	0.312	C	S	.	.	H	α-helix	trans	-60.8	-44.1	177.8	0	0	0	0	0	112.3	Y110 L111 F118 D119 Q122	Y110-A114 VanDerWaalsContact O-CB 3.31Å; Y110-A114 WeakPolarHBondContact O-CB 3.3Å; Y110-A114 PolarHBondContact O-N 3.22Å; L111-A114 PolarHBondContact O-N 3.27Å; A114-F118 CarbonylContact O-C 3.49Å; A114-F118 VanDerWaalsContact O-CA 3.25Å; A114-F118 WeakPolarHBondContact O-CA 3.38Å; A114-F118 PolarHBondContact O-N 3.37Å; A114-D119 PolarHBondContact O-N 3.45Å; A114-Q122 HydrophobicContact CB-CB 3.74Å
115	I	84.7	Confident	83.1	Confident	87 Å²	87	70 Å²	70	45%	0.446	32%	0.317	S	S	.	.	H	α-helix	trans	-68.4	-50.1	178.5	-66.7	168.5	0	0	0	110.5	L111 S113 K117 F118 A168	L111-I115 HydrophobicContact CD1-CD1 3.9Å; L111-I115 HydrophobicContact CD1-CG1 4.08Å; L111-I115 HydrophobicContact CD2-CD1 4.45Å; L111-I115 HydrophobicContact CG-CD1 3.8Å; L111-I115 HydrophobicContact CG-CG1 4.39Å; L111-I115 VanDerWaalsContact O-CG1 3.3Å; L111-I115 WeakPolarHBondContact O-CG1 3.41Å; L111-I115 PolarHBondContact O-N 3.03Å; S113-I115 PolarHBondContact O-N 3.48Å; I115-K117 VanDerWaalsContact C-N 3.3Å; I115-K117 PolarHBondContact O-N 3.08Å; I115-F118 PolarHBondContact O-N 3.32Å; I115-A168 HydrophobicContact CD1-CB 4.38Å
116	L	85.1	Confident	83.1	Confident	119 Å²	119	68.2 Å²	68.2	62%	0.623	31%	0.309	S	S	*	.	H	α-helix	trans	-67.3	-30.3	-175.2	-68.8	176.6	0	0	0	113.2	Q112 S113	Q112-L116 HydrophobicContact CG-CD1 3.92Å; Q112-L116 WeakPolarHBondContact O-CB 3.37Å; Q112-L116 VanDerWaalsContact O-CG 3.26Å; Q112-L116 WeakPolarHBondContact O-CG 3.3Å; Q112-L116 PolarHBondContact O-N 3.17Å; S113-L116 PolarHBondContact O-N 3.25Å
117	K	87.6	Confident	83.6	Confident	150 Å²	150	72.3 Å²	72.3	65%	0.652	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	2.5	-178.8	-59.4	-176.9	178.6	-174.8	0	113.6	S113 I115 D119	S113-K117 VanDerWaalsContact O-CB 3.28Å; S113-K117 WeakPolarHBondContact O-CB 3.34Å; S113-K117 WeakPolarHBondContact O-CG 3.48Å; S113-K117 PolarHBondContact O-N 3.47Å; I115-K117 VanDerWaalsContact C-N 3.3Å; I115-K117 PolarHBondContact O-N 3.08Å; K117-D119 HydrophobicContact CB-CB 4.36Å; K117-D119 PolarHBondContact O-N 2.86Å
118	F	85.1	Confident	83.9	Confident	195 Å²	195	73.9 Å²	73.9	86%	0.855	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	39.1	-171.8	-65.5	-89	0	0	0	113	A114 I115 Y120	A114-F118 CarbonylContact O-C 3.49Å; A114-F118 VanDerWaalsContact O-CA 3.25Å; A114-F118 WeakPolarHBondContact O-CA 3.38Å; A114-F118 PolarHBondContact O-N 3.37Å; I115-F118 PolarHBondContact O-N 3.32Å; F118-Y120 PolarHBondContact O-N 3.03Å
119	D	84	Confident	84.4	Confident	52 Å²	52	72.3 Å²	72.3	28%	0.278	32%	0.324	S	S	.	.			trans	-88.1	98.9	-175.4	-174.3	-26.1	0	0	0	110.1	A114 K117 E121 Q122 Y123	A114-D119 PolarHBondContact O-N 3.45Å; K117-D119 HydrophobicContact CB-CB 4.36Å; K117-D119 PolarHBondContact O-N 2.86Å; D119-E121 VanDerWaalsContact C-N 3.3Å; D119-E121 PolarHBondContact O-N 3.36Å; D119-E121 PolarHBondContact OD1-N 3Å; D119-E121 VanDerWaalsContact OD1-N 3.1Å; D119-Q122 HydrophobicContact CB-CB 4.13Å; D119-Q122 HydrophobicContact CB-CG 4.29Å; D119-Q122 PolarHBondContact O-N 3.11Å; D119-Q122 PolarHBondContact OD1-N 2.65Å; D119-Q122 VanDerWaalsContact OD2-CD 3.29Å; D119-Q122 VanDerWaalsContact OD2-CG 3.32Å; D119-Q122 WeakPolarHBondContact OD2-CG 3.49Å; D119-Q122 PolarHBondContact OD2-NE2 3.2Å; D119-Y123 PolarHBondContact O-N 2.87Å
120	Y	86.1	Confident	85.2	Confident	165 Å²	165	66 Å²	66	65%	0.647	30%	0.301	S	S	*	.	H	α-helix	trans	-62.1	-36.1	-179.1	-178.8	-99	0	0	0	112.9	F118 Y123 R124	F118-Y120 PolarHBondContact O-N 3.03Å; Y120-Y123 WeakPolarHBondContact O-CB 3.07Å; Y120-Y123 PolarHBondContact O-N 3.06Å; Y120-R124 WeakPolarHBondContact O-CB 3.46Å; Y120-R124 PolarHBondContact O-N 3.01Å
121	E	82.2	Confident	86.1	Confident	89 Å²	89	65.6 Å²	65.6	42%	0.416	30%	0.3	S	S	.	.	H	α-helix	trans	-67.4	-45.1	179.6	-73.3	-57.2	132.3	0	0	110.7	D119 Y123 R124 M125	D119-E121 VanDerWaalsContact C-N 3.3Å; D119-E121 PolarHBondContact O-N 3.36Å; D119-E121 PolarHBondContact OD1-N 3Å; D119-E121 VanDerWaalsContact OD1-N 3.1Å; E121-Y123 VanDerWaalsContact C-N 3.29Å; E121-Y123 PolarHBondContact O-N 2.57Å; E121-R124 WeakPolarHBondContact O-CB 3.27Å; E121-R124 PolarHBondContact O-N 2.99Å; E121-R124 IonicContact OE1-NE 3.11Å; E121-R124 IonicContact OE2-CZ 3.79Å; E121-R124 IonicContact OE2-NE 3.94Å; E121-R124 PolarHBondContact OE2-NE 3.24Å; E121-R124 VanDerWaalsContact OE2-NE 3.07Å; E121-R124 IonicContact OE2-NH2 2.92Å; E121-R124 PolarHBondContact OE2-NH2 2.91Å; E121-M125 VanDerWaalsContact O-CG 3.26Å; E121-M125 WeakPolarHBondContact O-CG 3.17Å; E121-M125 PolarHBondContact O-N 3.15Å
122	Q	82.9	Confident	86.7	Confident	39 Å²	39	65.5 Å²	65.5	18%	0.182	30%	0.299	C	S	.	.	H	α-helix	trans	-61.7	-38.1	173.5	-74.3	-176.4	43	0	0	112.3	A114 D119 M125 V126	A114-Q122 HydrophobicContact CB-CB 3.74Å; D119-Q122 HydrophobicContact CB-CB 4.13Å; D119-Q122 HydrophobicContact CB-CG 4.29Å; D119-Q122 PolarHBondContact O-N 3.11Å; D119-Q122 PolarHBondContact OD1-N 2.65Å; D119-Q122 VanDerWaalsContact OD2-CD 3.29Å; D119-Q122 VanDerWaalsContact OD2-CG 3.32Å; D119-Q122 WeakPolarHBondContact OD2-CG 3.49Å; D119-Q122 PolarHBondContact OD2-NE2 3.2Å; Q122-M125 HydrophobicContact CG-SD 4.49Å; Q122-M125 WeakPolarHBondContact O-CB 3.4Å; Q122-M125 PolarHBondContact O-N 3.44Å; Q122-V126 WeakPolarHBondContact O-CG2 3.48Å; Q122-V126 PolarHBondContact O-N 3.35Å
123	Y	87.3	Confident	87.2	Confident	69 Å²	69	61.4 Å²	61.4	27%	0.271	28%	0.28	S	S	.	.	H	α-helix	trans	-63.7	-43.1	175.8	-178.8	-113.8	0	0	0	112.2	L111 D119 Y120 E121 V126 K127 V172	L111-Y123 HydrophobicContact CD1-CD2 3.9Å; L111-Y123 HydrophobicContact CD1-CE2 4.14Å; D119-Y123 PolarHBondContact O-N 2.87Å; Y120-Y123 WeakPolarHBondContact O-CB 3.07Å; Y120-Y123 PolarHBondContact O-N 3.06Å; E121-Y123 VanDerWaalsContact C-N 3.29Å; E121-Y123 PolarHBondContact O-N 2.57Å; Y123-V126 PolarHBondContact O-N 3.04Å; Y123-K127 HydrophobicContact CE1-CD 4.3Å; Y123-K127 VanDerWaalsContact CE1-NZ 3.26Å; Y123-K127 PolarHBondContact O-N 2.85Å; Y123-K127 VanDerWaalsContact O-N 3.15Å; Y123-K127 WeakPolarHBondContact OH-CE 3.19Å; Y123-K127 PolarHBondContact OH-NZ 3.1Å; Y123-V172 HydrophobicContact CE2-CG1 3.91Å; Y123-V172 HydrophobicContact CE2-CG2 3.82Å
124	R	86.7	Confident	87.9	Confident	94 Å²	94	60.5 Å²	60.5	36%	0.355	27%	0.271	S	S	.	.	H	α-helix	trans	-59.4	-46.3	173.9	-175.6	179.1	68.5	89.4	-3.6	111.2	Y120 E121 V126 K127 E128	Y120-R124 WeakPolarHBondContact O-CB 3.46Å; Y120-R124 PolarHBondContact O-N 3.01Å; E121-R124 WeakPolarHBondContact O-CB 3.27Å; E121-R124 PolarHBondContact O-N 2.99Å; E121-R124 IonicContact OE1-NE 3.11Å; E121-R124 IonicContact OE2-CZ 3.79Å; E121-R124 IonicContact OE2-NE 3.94Å; E121-R124 PolarHBondContact OE2-NE 3.24Å; E121-R124 VanDerWaalsContact OE2-NE 3.07Å; E121-R124 IonicContact OE2-NH2 2.92Å; E121-R124 PolarHBondContact OE2-NH2 2.91Å; R124-V126 VanDerWaalsContact C-N 3.3Å; R124-V126 PolarHBondContact O-N 2.87Å; R124-K127 WeakPolarHBondContact O-CB 3.29Å; R124-K127 PolarHBondContact O-N 3.33Å; R124-K127 VanDerWaalsContact O-N 3.13Å; R124-E128 PolarHBondContact O-N 3.49Å
125	M	83.7	Confident	88.5	Confident	22 Å²	22	60.4 Å²	60.4	11%	0.108	27%	0.27	C	S	.	.	H	α-helix	trans	-58.9	-39	176.7	-67.7	167.3	61.8	0	0	112.9	E121 Q122 E128 A129 N407	E121-M125 VanDerWaalsContact O-CG 3.26Å; E121-M125 WeakPolarHBondContact O-CG 3.17Å; E121-M125 PolarHBondContact O-N 3.15Å; Q122-M125 HydrophobicContact CG-SD 4.49Å; Q122-M125 WeakPolarHBondContact O-CB 3.4Å; Q122-M125 PolarHBondContact O-N 3.44Å; M125-E128 PolarHBondContact O-N 3.44Å; M125-A129 WeakPolarHBondContact O-CB 2.98Å; M125-A129 PolarHBondContact O-N 3.48Å; M125-N407 WeakPolarHBondContact CE-OD1 3.11Å; M125-N407 WeakPolarHBondContact CG-OD1 3.28Å; M125-N407 PolarHBondContact SD-OD1 3.33Å
126	V	88.2	Confident	89	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-45.3	176	170.2	0	0	0	0	110.3	L111 Q122 Y123 R124 E128 A129 L130 V172	L111-V126 HydrophobicContact CB-CG1 4.23Å; L111-V126 HydrophobicContact CB-CG2 4.17Å; L111-V126 HydrophobicContact CD1-CG1 4.45Å; Q122-V126 WeakPolarHBondContact O-CG2 3.48Å; Q122-V126 PolarHBondContact O-N 3.35Å; Y123-V126 PolarHBondContact O-N 3.04Å; R124-V126 VanDerWaalsContact C-N 3.3Å; R124-V126 PolarHBondContact O-N 2.87Å; V126-E128 VanDerWaalsContact C-N 3.3Å; V126-E128 PolarHBondContact O-N 3.23Å; V126-A129 PolarHBondContact O-N 3.21Å; V126-L130 HydrophobicContact CG1-CD1 3.69Å; V126-L130 HydrophobicContact CG1-CG 4.35Å; V126-L130 WeakPolarHBondContact O-CB 3.18Å; V126-L130 WeakPolarHBondContact O-CD1 3.36Å; V126-L130 WeakPolarHBondContact O-CG 3.42Å; V126-L130 PolarHBondContact O-N 2.76Å; V126-V172 HydrophobicContact CG1-CG1 4.26Å
127	K	90.5	Very high	89.5	Confident	86 Å²	86	51.5 Å²	51.5	37%	0.374	22%	0.223	S	C	.	.	H	α-helix	trans	-62	-39.2	177.2	-69.6	-166.7	-170.2	179.4	0	112.8	Y123 R124 F131 V172	Y123-K127 HydrophobicContact CE1-CD 4.3Å; Y123-K127 VanDerWaalsContact CE1-NZ 3.26Å; Y123-K127 PolarHBondContact O-N 2.85Å; Y123-K127 VanDerWaalsContact O-N 3.15Å; Y123-K127 WeakPolarHBondContact OH-CE 3.19Å; Y123-K127 PolarHBondContact OH-NZ 3.1Å; R124-K127 WeakPolarHBondContact O-CB 3.29Å; R124-K127 PolarHBondContact O-N 3.33Å; R124-K127 VanDerWaalsContact O-N 3.13Å; K127-F131 PolarHBondContact O-N 3.3Å; K127-V172 HydrophobicContact CG-CG1 4.19Å
128	E	89.3	Confident	89.6	Confident	32 Å²	32	47.8 Å²	47.8	15%	0.15	21%	0.208	C	C	.	.	H	α-helix	trans	-64	-52.4	175.9	-172.6	-169.1	136.7	0	0	110.6	R124 M125 V126 L130 F131 E132 H430	R124-E128 PolarHBondContact O-N 3.49Å; M125-E128 PolarHBondContact O-N 3.44Å; V126-E128 VanDerWaalsContact C-N 3.3Å; V126-E128 PolarHBondContact O-N 3.23Å; E128-L130 VanDerWaalsContact C-N 3.26Å; E128-L130 PolarHBondContact O-N 3.02Å; E128-F131 WeakPolarHBondContact O-CA 3.48Å; E128-F131 WeakPolarHBondContact O-CB 3.42Å; E128-F131 PolarHBondContact O-N 3.29Å; E128-E132 WeakPolarHBondContact O-CG 3.38Å; E128-E132 PolarHBondContact O-N 2.98Å; E128-H430 HydrophobicContact CG-CB 4.39Å; E128-H430 IonicContact OE1-CE1 3.84Å; E128-H430 IonicContact OE1-CG 2.86Å; E128-H430 VanDerWaalsContact OE1-CG 3.28Å; E128-H430 IonicContact OE1-ND1 3.53Å; E128-H430 PolarHBondContact OE1-ND1 2.99Å; E128-H430 IonicContact OE2-CE1 2.96Å; E128-H430 IonicContact OE2-ND1 3.61Å; E128-H430 PolarHBondContact OE2-ND1 3.48Å
129	A	91.6	Very high	90.1	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.008	17%	0.168	C	C	.	.	H	α-helix	trans	-58.6	-37.7	177.4	0	0	0	0	0	112.5	M125 V126 E132 R133 T426 T427	M125-A129 WeakPolarHBondContact O-CB 2.98Å; M125-A129 PolarHBondContact O-N 3.48Å; V126-A129 PolarHBondContact O-N 3.21Å; A129-E132 PolarHBondContact O-N 3.09Å; A129-R133 WeakPolarHBondContact O-CB 3.36Å; A129-R133 PolarHBondContact O-N 3.4Å; A129-T426 HydrophobicContact CB-CG2 4.42Å; A129-T427 HydrophobicContact CB-CG2 4.37Å
130	L	93.4	Very high	90.7	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-65.5	-39.2	174.5	-75.5	166.5	0	0	0	112.7	V126 E128 Y134 Y169 V172 A173	V126-L130 HydrophobicContact CG1-CD1 3.69Å; V126-L130 HydrophobicContact CG1-CG 4.35Å; V126-L130 WeakPolarHBondContact O-CB 3.18Å; V126-L130 WeakPolarHBondContact O-CD1 3.36Å; V126-L130 WeakPolarHBondContact O-CG 3.42Å; V126-L130 PolarHBondContact O-N 2.76Å; E128-L130 VanDerWaalsContact C-N 3.26Å; E128-L130 PolarHBondContact O-N 3.02Å; L130-Y134 WeakPolarHBondContact O-CB 3.5Å; L130-Y134 PolarHBondContact O-N 3.29Å; L130-Y169 HydrophobicContact CD1-CE2 4.28Å; L130-Y169 HydrophobicContact CD2-CE1 4.37Å; L130-Y169 HydrophobicContact CD2-CE2 3.84Å; L130-Y169 WeakPolarHBondContact CD2-OH 3.43Å; L130-Y169 HydrophobicContact CG-CE2 4.33Å; L130-V172 HydrophobicContact CD1-CG1 3.97Å; L130-A173 HydrophobicContact CD1-CB 4.1Å; L130-A173 HydrophobicContact CD2-CB 3.9Å
131	F	93.3	Very high	91.1	Very high	38 Å²	38	30.3 Å²	30.3	17%	0.167	14%	0.137	C	C	.	.	H	α-helix	trans	-64.8	-49.7	173.3	173.3	-95.9	0	0	0	111.3	F24 K127 E128 R133 Y134 H135 A454	F24-F131 HydrophobicContact CE1-CZ 4.31Å; F24-F131 HydrophobicContact CZ-CZ 4.36Å; K127-F131 PolarHBondContact O-N 3.3Å; E128-F131 WeakPolarHBondContact O-CA 3.48Å; E128-F131 WeakPolarHBondContact O-CB 3.42Å; E128-F131 PolarHBondContact O-N 3.29Å; F131-R133 PolarHBondContact O-N 3.24Å; F131-Y134 PolarHBondContact O-N 2.9Å; F131-H135 WeakPolarHBondContact O-CB 3.29Å; F131-H135 PolarHBondContact O-N 3.5Å; F131-A454 HydrophobicContact CZ-CB 4.45Å
132	E	95	Very high	91.8	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-67.3	-37.3	-177.2	-62.5	-58.3	152.4	0	0	112.5	E128 A129 Y134 H135 L136 T426 T427 R429 H430	E128-E132 WeakPolarHBondContact O-CG 3.38Å; E128-E132 PolarHBondContact O-N 2.98Å; A129-E132 PolarHBondContact O-N 3.09Å; E132-Y134 VanDerWaalsContact C-N 3.34Å; E132-Y134 PolarHBondContact O-N 3.32Å; E132-H135 PolarHBondContact O-N 2.77Å; E132-H135 IonicContact OE2-CD2 3.97Å; E132-L136 WeakPolarHBondContact O-CB 3.24Å; E132-L136 PolarHBondContact O-N 3.31Å; E132-T426 HydrophobicContact CB-CG2 4.18Å; E132-T426 WeakPolarHBondContact CB-O 3.13Å; E132-T427 HydrophobicContact CG-CG2 4.49Å; E132-R429 IonicContact OE1-CZ 3.33Å; E132-R429 VanDerWaalsContact OE1-CZ 3.28Å; E132-R429 IonicContact OE1-NE 3.48Å; E132-R429 PolarHBondContact OE1-NE 3.09Å; E132-R429 VanDerWaalsContact OE1-NE 3.11Å; E132-R429 IonicContact OE1-NH2 3.96Å; E132-R429 PolarHBondContact OE1-NH2 3.39Å; E132-R429 WeakPolarHBondContact OE2-CB 3.37Å; E132-R429 IonicContact OE2-CZ 3.08Å; E132-R429 IonicContact OE2-NE 2.71Å; E132-R429 PolarHBondContact OE2-NE 2.68Å; E132-H430 HydrophobicContact CG-CB 4.5Å
133	R	95.1	Very high	92.6	Very high	3 Å²	3	25.2 Å²	25.2	1%	0.011	11%	0.114	C	C	.	.	H	α-helix	trans	-57.9	-48.5	172	178	-176.7	72.3	155.3	6.4	111.8	I104 A129 F131 I137 Y169 Y208 D209 T426	I104-R133 HydrophobicContact CB-CG 4.18Å; I104-R133 HydrophobicContact CG2-CB 3.82Å; I104-R133 HydrophobicContact CG2-CG 3.83Å; I104-R133 WeakPolarHBondContact O-CD 3.36Å; I104-R133 VanDerWaalsContact O-CG 3.26Å; I104-R133 WeakPolarHBondContact O-CG 3.42Å; A129-R133 WeakPolarHBondContact O-CB 3.36Å; A129-R133 PolarHBondContact O-N 3.4Å; F131-R133 PolarHBondContact O-N 3.24Å; R133-I137 HydrophobicContact CG-CD1 4.46Å; R133-I137 PolarHBondContact O-N 2.68Å; R133-Y169 PolarHBondContact NH1-OH 2.81Å; R133-Y208 PolarHBondContact NH1-O 3.27Å; R133-D209 WeakPolarHBondContact CD-OD1 3.37Å; R133-D209 IonicContact CZ-OD1 3.51Å; R133-D209 IonicContact NE-OD1 3.12Å; R133-D209 IonicContact NH1-OD1 3.32Å; R133-D209 PolarHBondContact NH1-OD1 3.33Å; R133-T426 HydrophobicContact CB-CG2 4.23Å
134	Y	93.6	Very high	93	Very high	21 Å²	21	22.1 Å²	22.1	8%	0.082	10%	0.102	C	C	.	.	H	α-helix	trans	-63.4	-45.4	178.6	177.2	-92.2	0	0	0	111	Y21 F25 L130 F131 E132 L136 I137 Q138 R176	Y21-Y134 AromaticContact CE2-CZ 3.99Å; Y21-Y134 WeakPolarHBondContact CE2-OH 3.14Å; Y21-Y134 PolarHBondContact OH-OH 3.48Å; F25-Y134 AromaticContact CE2-CE1 3.81Å; F25-Y134 HydrophobicContact CE2-CE1 3.81Å; F25-Y134 HydrophobicContact CZ-CD1 4.44Å; F25-Y134 AromaticContact CZ-CE1 3.83Å; F25-Y134 HydrophobicContact CZ-CE1 3.83Å; L130-Y134 WeakPolarHBondContact O-CB 3.5Å; L130-Y134 PolarHBondContact O-N 3.29Å; F131-Y134 PolarHBondContact O-N 2.9Å; E132-Y134 VanDerWaalsContact C-N 3.34Å; E132-Y134 PolarHBondContact O-N 3.32Å; Y134-L136 PolarHBondContact O-N 2.76Å; Y134-I137 PolarHBondContact O-N 3.39Å; Y134-Q138 HydrophobicContact CD1-CG 4.4Å; Y134-Q138 HydrophobicContact CE1-CG 3.88Å; Y134-Q138 WeakPolarHBondContact O-CG 3.22Å; Y134-Q138 PolarHBondContact O-N 2.87Å; Y134-R176 HydrophobicContact CD1-CG 4.46Å; Y134-R176 HydrophobicContact CD2-CB 4.34Å; Y134-R176 HydrophobicContact CG-CB 4.1Å; Y134-R176 HydrophobicContact CG-CG 4.27Å
135	H	94.1	Very high	93.3	Very high	3 Å²	3	20.5 Å²	20.5	1%	0.014	11%	0.105	C	C	.	.	H	α-helix	trans	-56.6	-49.4	176.8	162.7	73.7	0	0	0	112.5	F131 E132 I137 Q138 V139 R429 T453 G455	F131-H135 WeakPolarHBondContact O-CB 3.29Å; F131-H135 PolarHBondContact O-N 3.5Å; E132-H135 PolarHBondContact O-N 2.77Å; E132-H135 IonicContact OE2-CD2 3.97Å; H135-I137 VanDerWaalsContact C-N 3.32Å; H135-I137 PolarHBondContact O-N 3.01Å; H135-Q138 WeakPolarHBondContact O-CB 3.46Å; H135-Q138 PolarHBondContact O-N 3.14Å; H135-V139 WeakPolarHBondContact CE1-CG1 3.42Å; H135-V139 WeakPolarHBondContact O-CG2 3.41Å; H135-V139 PolarHBondContact O-N 2.86Å; H135-R429 WeakPolarHBondContact NE2-CD 3.45Å; H135-T453 PolarHBondContact CE1-O 3.06Å; H135-T453 VanDerWaalsContact CE1-O 3.31Å; H135-G455 PolarHBondContact CE1-N 3.1Å; H135-G455 PolarHBondContact ND1-N 3.19Å
136	L	94.7	Very high	93.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-55.3	-45.2	-179.8	-87.3	163.9	0	0	0	112.8	I104 E132 Y134 Q138 V139 A140 S144 M217 W425 Y428	I104-L136 HydrophobicContact CD1-CB 4.15Å; I104-L136 HydrophobicContact CD1-CD1 4.34Å; I104-L136 HydrophobicContact CG1-CD1 4.41Å; I104-L136 HydrophobicContact CG2-CD1 3.51Å; E132-L136 WeakPolarHBondContact O-CB 3.24Å; E132-L136 PolarHBondContact O-N 3.31Å; Y134-L136 PolarHBondContact O-N 2.76Å; L136-Q138 PolarHBondContact O-N 3.47Å; L136-V139 PolarHBondContact O-N 3.45Å; L136-A140 PolarHBondContact O-N 3.12Å; L136-A140 VanDerWaalsContact O-N 3.07Å; L136-S144 PolarHBondContact O-OG 3.3Å; L136-M217 HydrophobicContact CD2-CE 4.27Å; L136-M217 HydrophobicContact CD2-CG 4.45Å; L136-M217 HydrophobicContact CD2-SD 4.25Å; L136-W425 HydrophobicContact CD1-CE3 4.18Å; L136-W425 HydrophobicContact CD1-CZ3 3.59Å; L136-W425 HydrophobicContact CD2-CH2 4.01Å; L136-W425 HydrophobicContact CD2-CZ3 3.72Å; L136-W425 HydrophobicContact CG-CZ3 4.3Å; L136-Y428 HydrophobicContact CD1-CE1 4.25Å; L136-Y428 HydrophobicContact CD2-CE1 3.6Å; L136-Y428 HydrophobicContact CG-CE1 4.07Å
137	I	94.3	Very high	94.2	Very high	19 Å²	19	22.1 Å²	22.1	10%	0.097	12%	0.116	C	C	.	.	H	α-helix	trans	-61.4	-33.4	177.7	-67.5	169.4	0	0	0	111.7	R133 Y134 H135 P141 S144 V146 L178	R133-I137 HydrophobicContact CG-CD1 4.46Å; R133-I137 PolarHBondContact O-N 2.68Å; Y134-I137 PolarHBondContact O-N 3.39Å; H135-I137 VanDerWaalsContact C-N 3.32Å; H135-I137 PolarHBondContact O-N 3.01Å; I137-P141 VanDerWaalsContact O-CA 3.31Å; I137-P141 WeakPolarHBondContact O-CA 3.26Å; I137-P141 WeakPolarHBondContact O-CB 3.25Å; I137-S144 VanDerWaalsContact CA-OG 3.29Å; I137-S144 WeakPolarHBondContact CA-OG 3.36Å; I137-V146 HydrophobicContact CD1-CG2 4.21Å; I137-L178 HydrophobicContact CD1-CD1 4.09Å; I137-L178 HydrophobicContact CD1-CD2 3.6Å
138	Q	91.6	Very high	94.4	Very high	72 Å²	72	19.3 Å²	19.3	34%	0.336	11%	0.106	S	C	.	.	H	α-helix	trans	-78.2	-41.2	179	-63.1	-58.9	-53.8	0	0	112.8	F25 Y134 H135 L136 P141	F25-Q138 HydrophobicContact CE1-CB 4.2Å; F25-Q138 HydrophobicContact CE1-CG 4.44Å; F25-Q138 HydrophobicContact CZ-CB 4.47Å; F25-Q138 HydrophobicContact CZ-CG 4.26Å; Y134-Q138 HydrophobicContact CD1-CG 4.4Å; Y134-Q138 HydrophobicContact CE1-CG 3.88Å; Y134-Q138 WeakPolarHBondContact O-CG 3.22Å; Y134-Q138 PolarHBondContact O-N 2.87Å; H135-Q138 WeakPolarHBondContact O-CB 3.46Å; H135-Q138 PolarHBondContact O-N 3.14Å; L136-Q138 PolarHBondContact O-N 3.47Å; Q138-P141 WeakPolarHBondContact O-CD 3.44Å
139	V	94.3	Very high	94.7	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	10%	0.099	C	C	.	.	H	α-helix	trans	-84	-21.5	-173.5	-62.1	0	0	0	0	114.5	H135 L136 L456 L458	H135-V139 WeakPolarHBondContact CE1-CG1 3.42Å; H135-V139 WeakPolarHBondContact O-CG2 3.41Å; H135-V139 PolarHBondContact O-N 2.86Å; L136-V139 PolarHBondContact O-N 3.45Å; V139-L456 VanDerWaalsContact CB-O 3.3Å; V139-L456 WeakPolarHBondContact CB-O 3.25Å; V139-L456 VanDerWaalsContact CG1-O 3.31Å; V139-L456 WeakPolarHBondContact CG1-O 3.13Å; V139-L458 HydrophobicContact CB-CG 4.39Å; V139-L458 HydrophobicContact CG2-CD1 4.24Å; V139-L458 HydrophobicContact CG2-CG 4.08Å; V139-L458 PolarHBondContact O-N 3.27Å
140	A	96.4	Very high	94.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.099	C	C	.	.			trans	-137.3	63.7	176.1	0	0	0	0	0	111.2	L136 H142 L143 S144 M217 L458	L136-A140 PolarHBondContact O-N 3.12Å; L136-A140 VanDerWaalsContact O-N 3.07Å; A140-H142 PolarHBondContact O-N 3Å; A140-H142 VanDerWaalsContact O-N 3.12Å; A140-L143 HydrophobicContact CB-CB 4.32Å; A140-L143 HydrophobicContact CB-CD1 4.49Å; A140-L143 PolarHBondContact O-N 3.06Å; A140-S144 PolarHBondContact O-N 2.78Å; A140-S144 PolarHBondContact O-OG 3.3Å; A140-M217 HydrophobicContact CB-CE 3.65Å; A140-M217 HydrophobicContact CB-SD 3.38Å; A140-M217 WeakPolarHBondContact CB-SD 3.2Å; A140-L458 HydrophobicContact CB-CB 4.34Å; A140-L458 HydrophobicContact CB-CD1 4.13Å; A140-L458 HydrophobicContact CB-CG 4.49Å
141	P	95.8	Very high	94.9	Very high	43 Å²	43	18.5 Å²	18.5	28%	0.279	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-14.7	-173.2	26.8	-36.2	0	0	0	114.3	I137 Q138 M457 Y464	I137-P141 VanDerWaalsContact O-CA 3.31Å; I137-P141 WeakPolarHBondContact O-CA 3.26Å; I137-P141 WeakPolarHBondContact O-CB 3.25Å; Q138-P141 WeakPolarHBondContact O-CD 3.44Å; P141-M457 HydrophobicContact CG-CE 4.41Å; P141-Y464 HydrophobicContact CB-CD1 4.02Å; P141-Y464 HydrophobicContact CB-CE1 4.16Å; P141-Y464 HydrophobicContact CG-CD1 3.72Å; P141-Y464 HydrophobicContact CG-CE1 4.37Å
142	H	97.2	Very high	94.9	Very high	12 Å²	12	17.1 Å²	17.1	6%	0.056	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-34.7	174	61.4	-69.1	0	0	0	111.8	A140 E459 G461 Y464 T488 G491	A140-H142 PolarHBondContact O-N 3Å; A140-H142 VanDerWaalsContact O-N 3.12Å; H142-E459 PolarHBondContact CE1-O 3.14Å; H142-E459 PolarHBondContact NE2-O 3.19Å; H142-G461 PolarHBondContact CE1-N 2.87Å; H142-G461 VanDerWaalsContact CE1-N 3.34Å; H142-Y464 HydrophobicContact CB-CD1 4.06Å; H142-Y464 HydrophobicContact CB-CD2 3.61Å; H142-Y464 HydrophobicContact CB-CE1 4.05Å; H142-Y464 HydrophobicContact CB-CE2 3.6Å; H142-Y464 HydrophobicContact CB-CG 3.81Å; H142-T488 CarbonylContact C-O 3.5Å; H142-T488 CarbonylContact O-C 3.59Å; H142-G491 PolarHBondContact CD2-N 2.87Å; H142-G491 VanDerWaalsContact CD2-N 3.29Å
143	L	97.9	Very high	94.9	Very high	10 Å²	10	17 Å²	17	5%	0.052	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-12.8	-177.4	-60.2	179.2	0	0	0	113.9	A140 H212 N213 R216 M217 T488 T489	A140-L143 HydrophobicContact CB-CB 4.32Å; A140-L143 HydrophobicContact CB-CD1 4.49Å; A140-L143 PolarHBondContact O-N 3.06Å; L143-H212 CarbonylContact O-C 3.51Å; L143-H212 WeakPolarHBondContact O-CA 3.49Å; L143-H212 VanDerWaalsContact O-CB 3.24Å; L143-H212 WeakPolarHBondContact O-CB 3.36Å; L143-N213 PolarHBondContact O-N 2.92Å; L143-R216 HydrophobicContact CD1-CG 4.09Å; L143-R216 HydrophobicContact CD2-CB 3.99Å; L143-R216 HydrophobicContact CD2-CG 3.37Å; L143-R216 HydrophobicContact CG-CG 4.4Å; L143-M217 HydrophobicContact CB-CE 3.56Å; L143-M217 HydrophobicContact CB-SD 4.1Å; L143-M217 HydrophobicContact CD1-CB 4.29Å; L143-M217 HydrophobicContact CD1-SD 3.96Å; L143-T488 WeakPolarHBondContact CD2-O 3.49Å; L143-T489 WeakPolarHBondContact CD2-O 3.29Å
144	S	96.3	Very high	94.7	Very high	4 Å²	4	19.7 Å²	19.7	3%	0.028	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	141.2	-175.6	55.6	0	0	0	0	112	L136 I137 A140 Q211	L136-S144 PolarHBondContact O-OG 3.3Å; I137-S144 VanDerWaalsContact CA-OG 3.29Å; I137-S144 WeakPolarHBondContact CA-OG 3.36Å; A140-S144 PolarHBondContact O-N 2.78Å; A140-S144 PolarHBondContact O-OG 3.3Å; S144-Q211 CarbonylContact C-O 3.58Å; S144-Q211 VanDerWaalsContact CA-O 3.22Å; S144-Q211 WeakPolarHBondContact CA-O 3.28Å
145	S	93.3	Very high	94.8	Very high	60 Å²	60	24.4 Å²	24.4	42%	0.42	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	164.7	-172.2	66.5	0	0	0	0	111.4	G210 Q211	S145-G210 CarbonylContact O-C 3.25Å; S145-G210 WeakPolarHBondContact O-CA 3.35Å; S145-Q211 PolarHBondContact N-O 2.9Å; S145-Q211 PolarHBondContact O-N 2.96Å
146	V	95.3	Very high	94.7	Very high	49 Å²	49	33.6 Å²	33.6	30%	0.297	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	123.1	174.3	178.9	0	0	0	0	108.9	I137 L178 Y208 D209	I137-V146 HydrophobicContact CD1-CG2 4.21Å; V146-L178 HydrophobicContact CG1-CB 3.94Å; V146-L178 HydrophobicContact CG1-CD1 4.11Å; V146-L178 HydrophobicContact CG2-CB 4.04Å; V146-L178 HydrophobicContact CG2-CD1 4.1Å; V146-L178 HydrophobicContact CG2-CD2 4.04Å; V146-L178 HydrophobicContact CG2-CG 4.26Å; V146-Y208 HydrophobicContact CG1-CD1 3.66Å; V146-Y208 HydrophobicContact CG1-CG 4.24Å; V146-D209 WeakPolarHBondContact CA-O 3.43Å
147	L	95	Very high	94.7	Very high	9 Å²	9	41 Å²	41	5%	0.047	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	117.7	177.5	-177.7	66.6	0	0	0	110	L103 I149 D209 Q211 L332 P333	L103-L147 HydrophobicContact CD2-CD2 3.93Å; L147-I149 HydrophobicContact CD2-CG1 4.25Å; L147-I149 HydrophobicContact CG-CG1 4.21Å; L147-D209 PolarHBondContact N-O 3.49Å; L147-D209 PolarHBondContact O-N 3.02Å; L147-Q211 HydrophobicContact CB-CB 3.99Å; L147-Q211 HydrophobicContact CD2-CB 4.13Å; L147-Q211 HydrophobicContact CD2-CG 4.3Å; L147-L332 HydrophobicContact CD2-CD2 3.97Å; L147-P333 HydrophobicContact CD1-CG 3.87Å
148	P	95.9	Very high	94.7	Very high	27 Å²	27	41.6 Å²	41.6	18%	0.175	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	136.5	164.4	25.7	-28.5	0	0	0	109.6	I206 Y207 Y208 K315 A316 G317	P148-I206 HydrophobicContact CB-CG2 3.84Å; P148-Y207 CarbonylContact C-O 3.57Å; P148-Y207 WeakPolarHBondContact CA-O 3.33Å; P148-Y208 HydrophobicContact CB-CD1 3.9Å; P148-Y208 HydrophobicContact CB-CE1 3.58Å; P148-Y208 HydrophobicContact CG-CE1 4.27Å; P148-K315 WeakPolarHBondContact CD-O 3.46Å; P148-K315 WeakPolarHBondContact CG-O 3.33Å; P148-A316 HydrophobicContact CB-CB 4.28Å; P148-A316 HydrophobicContact CG-CB 3.91Å; P148-A316 CarbonylContact O-C 3.59Å; P148-A316 VanDerWaalsContact O-CA 3.24Å; P148-A316 WeakPolarHBondContact O-CA 3.43Å; P148-G317 PolarHBondContact O-N 2.83Å
149	I	94.9	Very high	94.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.3	176.9	-59	176.1	0	0	0	107.8	L103 L147 Y207 D209 G317 L319 F330	L103-I149 HydrophobicContact CD1-CD1 4.45Å; L103-I149 HydrophobicContact CD2-CD1 4.12Å; L147-I149 HydrophobicContact CD2-CG1 4.25Å; L147-I149 HydrophobicContact CG-CG1 4.21Å; I149-Y207 HydrophobicContact CB-CD1 4.07Å; I149-Y207 HydrophobicContact CB-CE1 3.57Å; I149-Y207 HydrophobicContact CB-CE2 4.35Å; I149-Y207 HydrophobicContact CD1-CE2 4.16Å; I149-Y207 WeakPolarHBondContact CD1-OH 3.42Å; I149-Y207 HydrophobicContact CG2-CD1 4.36Å; I149-Y207 HydrophobicContact CG2-CE1 3.52Å; I149-Y207 PolarHBondContact N-O 2.87Å; I149-Y207 WeakPolarHBondContact O-CD1 3.19Å; I149-Y207 PolarHBondContact O-N 3.34Å; I149-D209 HydrophobicContact CD1-CB 3.86Å; I149-G317 CarbonylContact C-O 3.56Å; I149-G317 WeakPolarHBondContact CA-O 3.4Å; I149-L319 HydrophobicContact CG2-CB 3.6Å; I149-F330 HydrophobicContact CD1-CE1 4.4Å
150	M	94.7	Very high	94.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	129.1	176.8	-174.5	-174.2	-65.5	0	0	110.1	I184 A189 L192 F193 L196 A204 L205 I206 G317 L318 L319	M150-I184 HydrophobicContact CE-CD1 4.1Å; M150-A189 HydrophobicContact SD-CB 4.48Å; M150-L192 HydrophobicContact CE-CB 3.45Å; M150-L192 VanDerWaalsContact CE-CB 3.45Å; M150-L192 HydrophobicContact CE-CD1 4.06Å; M150-L192 HydrophobicContact CE-CG 4.29Å; M150-F193 HydrophobicContact CE-CB 4.48Å; M150-L196 HydrophobicContact SD-CD2 4.31Å; M150-A204 HydrophobicContact CG-CB 3.56Å; M150-A204 HydrophobicContact SD-CB 3.94Å; M150-L205 CarbonylContact C-O 3.56Å; M150-L205 WeakPolarHBondContact CA-O 3.15Å; M150-I206 HydrophobicContact CB-CD1 3.72Å; M150-I206 HydrophobicContact CE-CD1 4.13Å; M150-I206 HydrophobicContact CG-CD1 3.82Å; M150-G317 PolarHBondContact N-O 2.64Å; M150-L318 HydrophobicContact CB-CD1 4.19Å; M150-L318 HydrophobicContact CG-CD1 4.29Å; M150-L318 WeakPolarHBondContact O-CA 3.26Å; M150-L318 HydrophobicContact SD-CD1 4.22Å; M150-L319 PolarHBondContact O-N 3.02Å
151	L	93.8	Very high	94.6	Very high	17 Å²	17	47.7 Å²	47.7	9%	0.089	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	102.4	169.4	175.8	66.5	0	0	0	108.5	Y162 A204 L205 L319 P321	L151-Y162 HydrophobicContact CD2-CD1 4.27Å; L151-Y162 HydrophobicContact CD2-CD2 4.05Å; L151-Y162 HydrophobicContact CD2-CE2 4.35Å; L151-Y162 HydrophobicContact CD2-CG 4.01Å; L151-A204 CarbonylContact O-C 3.26Å; L151-A204 VanDerWaalsContact O-CA 3.26Å; L151-A204 WeakPolarHBondContact O-CA 3.39Å; L151-A204 WeakPolarHBondContact O-CB 3.4Å; L151-L205 HydrophobicContact CB-CB 4.39Å; L151-L205 PolarHBondContact N-O 2.82Å; L151-L205 PolarHBondContact O-N 2.89Å; L151-L319 HydrophobicContact CD1-CD2 4.08Å; L151-L319 HydrophobicContact CD1-CG 4.14Å; L151-P321 HydrophobicContact CD1-CB 4.07Å; L151-P321 HydrophobicContact CD1-CG 3.75Å
152	P	94	Very high	94.4	Very high	8 Å²	8	48 Å²	48	5%	0.052	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	145.9	175.1	-21.4	33.9	0	0	0	112.1	Y154 L196 L201 L318	P152-Y154 HydrophobicContact CB-CD2 4.48Å; P152-Y154 HydrophobicContact CB-CE2 3.76Å; P152-L196 HydrophobicContact CB-CD1 4.27Å; P152-L196 HydrophobicContact CB-CD2 4.19Å; P152-L196 HydrophobicContact CG-CD1 3.82Å; P152-L196 HydrophobicContact CG-CD2 4.09Å; P152-L201 HydrophobicContact CB-CD1 4.03Å; P152-L318 HydrophobicContact CG-CD1 3.48Å; P152-L318 VanDerWaalsContact CG-CD1 3.48Å; P152-L318 HydrophobicContact CG-CG 4.43Å
153	I	94.5	Very high	94.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	121.9	-179.4	-57.8	178.1	0	0	0	109.8	K155 Q158 V159 Y162 V202 G203 L205	I153-K155 VanDerWaalsContact CG2-O 3.3Å; I153-K155 WeakPolarHBondContact CG2-O 3.31Å; I153-Q158 HydrophobicContact CG2-CB 3.66Å; I153-V159 HydrophobicContact CB-CG2 4.41Å; I153-V159 HydrophobicContact CD1-CG2 4.16Å; I153-V159 HydrophobicContact CG2-CG2 3.75Å; I153-Y162 HydrophobicContact CD1-CD2 3.93Å; I153-Y162 HydrophobicContact CG1-CD2 4.04Å; I153-V202 WeakPolarHBondContact O-CB 3.42Å; I153-V202 PolarHBondContact O-N 2.9Å; I153-G203 PolarHBondContact N-O 2.8Å; I153-G203 PolarHBondContact O-N 3.19Å; I153-L205 HydrophobicContact CD1-CD1 3.85Å; I153-L205 HydrophobicContact CD1-CG 3.82Å
154	Y	92.1	Very high	94	Very high	59 Å²	59	57.1 Å²	57.1	23%	0.231	26%	0.264	C	S	.	.			trans	-108.4	-3.8	-177.1	-65.3	-88.3	0	0	0	113.7	P152 R197 E199 S200 L201 Y370	P152-Y154 HydrophobicContact CB-CD2 4.48Å; P152-Y154 HydrophobicContact CB-CE2 3.76Å; Y154-R197 PolarHBondContact OH-O 3.1Å; Y154-E199 WeakPolarHBondContact CD1-O 3.43Å; Y154-E199 WeakPolarHBondContact CE1-O 3.25Å; Y154-S200 CarbonylContact C-O 3.53Å; Y154-S200 WeakPolarHBondContact CA-O 3.44Å; Y154-S200 VanDerWaalsContact O-O 3.13Å; Y154-L201 HydrophobicContact CD1-CB 4.17Å; Y154-L201 HydrophobicContact CD1-CD1 4.35Å; Y154-L201 HydrophobicContact CE1-CB 3.93Å; Y154-L201 HydrophobicContact CE1-CD1 3.98Å; Y154-L201 HydrophobicContact CE2-CD1 4.44Å; Y154-Y370 HydrophobicContact CE2-CE1 4.3Å
155	K	94.2	Very high	93.8	Very high	119 Å²	119	58.8 Å²	58.8	52%	0.517	28%	0.282	S	S	.	.	S	Bend	trans	-128.1	131.6	176.7	-57.7	-179	-178.3	177.8	0	110.6	I153 W157 Q158	I153-K155 VanDerWaalsContact CG2-O 3.3Å; I153-K155 WeakPolarHBondContact CG2-O 3.31Å; K155-W157 VanDerWaalsContact C-N 3.33Å; K155-W157 HydrophobicContact CD-CZ2 4.33Å; K155-W157 PolarHBondContact O-N 3.31Å; K155-Q158 HydrophobicContact CB-CG 4.06Å; K155-Q158 WeakPolarHBondContact O-CB 3.34Å; K155-Q158 PolarHBondContact O-N 3.39Å
156	W	92.9	Very high	93.7	Very high	197 Å²	197	56.7 Å²	56.7	75%	0.746	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-41.2	-176.3	-77.3	99.9	0	0	0	114.2	Q158 V159 P160 V202	W156-Q158 PolarHBondContact O-N 2.78Å; W156-V159 WeakPolarHBondContact O-CB 3.47Å; W156-V159 PolarHBondContact O-N 2.73Å; W156-P160 WeakPolarHBondContact O-CD 3.39Å; W156-V202 HydrophobicContact CD2-CG1 3.59Å; W156-V202 HydrophobicContact CD2-CG2 4.05Å; W156-V202 HydrophobicContact CE3-CG1 3.46Å; W156-V202 VanDerWaalsContact CE3-CG1 3.46Å; W156-V202 HydrophobicContact CG-CG1 4.31Å; W156-V202 HydrophobicContact CG-CG2 4.07Å; W156-V202 HydrophobicContact CH2-CG1 3.84Å; W156-V202 HydrophobicContact CZ2-CG1 3.94Å; W156-V202 HydrophobicContact CZ3-CG1 3.59Å
157	W	94.5	Very high	93.6	Very high	155 Å²	155	56.7 Å²	56.7	59%	0.587	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-22.9	179.8	69.6	-100	0	0	0	113.3	K155 V159 P160 Y161	K155-W157 VanDerWaalsContact C-N 3.33Å; K155-W157 HydrophobicContact CD-CZ2 4.33Å; K155-W157 PolarHBondContact O-N 3.31Å; W157-V159 VanDerWaalsContact C-N 3.29Å; W157-V159 PolarHBondContact O-N 3.47Å; W157-P160 WeakPolarHBondContact O-CD 3.4Å; W157-P160 WeakPolarHBondContact O-CG 3.36Å; W157-Y161 HydrophobicContact CZ3-CG 4.46Å
158	Q	93.5	Very high	93.5	Very high	31 Å²	31	57.9 Å²	57.9	15%	0.145	27%	0.273	C	S	.	.	H	α-helix	trans	-72.3	-24.3	178.3	-73.6	177.8	-41.7	0	0	112.1	I153 K155 W156 Y161 Y162	I153-Q158 HydrophobicContact CG2-CB 3.66Å; K155-Q158 HydrophobicContact CB-CG 4.06Å; K155-Q158 WeakPolarHBondContact O-CB 3.34Å; K155-Q158 PolarHBondContact O-N 3.39Å; W156-Q158 PolarHBondContact O-N 2.78Å; Q158-Y161 PolarHBondContact O-N 3.4Å; Q158-Y162 HydrophobicContact CB-CD2 3.79Å; Q158-Y162 HydrophobicContact CB-CE2 3.66Å; Q158-Y162 HydrophobicContact CG-CE2 3.97Å; Q158-Y162 PolarHBondContact NE2-OH 3.37Å; Q158-Y162 WeakPolarHBondContact O-CB 3.49Å; Q158-Y162 VanDerWaalsContact O-CD2 3.29Å; Q158-Y162 WeakPolarHBondContact O-CD2 3.47Å; Q158-Y162 PolarHBondContact O-N 3.32Å
159	V	94.5	Very high	93.3	Very high	24 Å²	24	56.7 Å²	56.7	15%	0.145	27%	0.265	C	S	.	.	H	α-helix	trans	-57.4	-60	179	178.8	0	0	0	0	111.7	I153 W156 W157 Y161 Y163 Y183 V202	I153-V159 HydrophobicContact CB-CG2 4.41Å; I153-V159 HydrophobicContact CD1-CG2 4.16Å; I153-V159 HydrophobicContact CG2-CG2 3.75Å; W156-V159 WeakPolarHBondContact O-CB 3.47Å; W156-V159 PolarHBondContact O-N 2.73Å; W157-V159 VanDerWaalsContact C-N 3.29Å; W157-V159 PolarHBondContact O-N 3.47Å; V159-Y161 VanDerWaalsContact C-N 3.32Å; V159-Y161 PolarHBondContact O-N 2.76Å; V159-Y163 WeakPolarHBondContact O-CB 3.48Å; V159-Y163 PolarHBondContact O-N 3.05Å; V159-Y183 HydrophobicContact CG1-CD2 3.84Å; V159-Y183 HydrophobicContact CG1-CE2 3.73Å; V159-Y183 HydrophobicContact CG1-CG 4.43Å; V159-Y183 HydrophobicContact CG2-CE2 4.02Å; V159-V202 HydrophobicContact CG2-CG1 3.85Å
160	P	95.1	Very high	93.2	Very high	72 Å²	72	57.1 Å²	57.1	47%	0.468	27%	0.267	S	S	.	.	H	α-helix	trans	-63.5	-37.4	178.2	24.6	-34.3	0	0	0	112.4	W156 W157 Y163 L164	W156-P160 WeakPolarHBondContact O-CD 3.39Å; W157-P160 WeakPolarHBondContact O-CD 3.4Å; W157-P160 WeakPolarHBondContact O-CG 3.36Å; P160-Y163 PolarHBondContact O-N 3.46Å; P160-L164 WeakPolarHBondContact O-CB 3.45Å; P160-L164 VanDerWaalsContact O-CG 3.26Å; P160-L164 WeakPolarHBondContact O-CG 3.39Å; P160-L164 PolarHBondContact O-N 2.74Å
161	Y	91.7	Very high	93.1	Very high	105 Å²	105	65.1 Å²	65.1	41%	0.412	30%	0.302	S	S	.	.	H	α-helix	trans	-59.9	-55.7	179.8	176	-102	0	0	0	112.3	Q112 W157 Q158 V159 Y163 L164 G165	Q112-Y161 PolarHBondContact NE2-OH 3.14Å; W157-Y161 HydrophobicContact CZ3-CG 4.46Å; Q158-Y161 PolarHBondContact O-N 3.4Å; V159-Y161 VanDerWaalsContact C-N 3.32Å; V159-Y161 PolarHBondContact O-N 2.76Å; Y161-Y163 VanDerWaalsContact C-N 3.34Å; Y161-Y163 PolarHBondContact O-N 3.26Å; Y161-L164 PolarHBondContact O-N 3.46Å; Y161-G165 PolarHBondContact O-N 2.89Å
162	Y	91.3	Very high	93	Very high	49 Å²	49	65.6 Å²	65.6	19%	0.192	31%	0.306	C	S	.	.	H	α-helix	trans	-69.3	-33.7	179.5	-67	-46.8	0	0	0	112	L151 I153 Q158 G165 I166 L205	L151-Y162 HydrophobicContact CD2-CD1 4.27Å; L151-Y162 HydrophobicContact CD2-CD2 4.05Å; L151-Y162 HydrophobicContact CD2-CE2 4.35Å; L151-Y162 HydrophobicContact CD2-CG 4.01Å; I153-Y162 HydrophobicContact CD1-CD2 3.93Å; I153-Y162 HydrophobicContact CG1-CD2 4.04Å; Q158-Y162 HydrophobicContact CB-CD2 3.79Å; Q158-Y162 HydrophobicContact CB-CE2 3.66Å; Q158-Y162 HydrophobicContact CG-CE2 3.97Å; Q158-Y162 PolarHBondContact NE2-OH 3.37Å; Q158-Y162 WeakPolarHBondContact O-CB 3.49Å; Q158-Y162 VanDerWaalsContact O-CD2 3.29Å; Q158-Y162 WeakPolarHBondContact O-CD2 3.47Å; Q158-Y162 PolarHBondContact O-N 3.32Å; Y162-G165 PolarHBondContact O-N 3.39Å; Y162-I166 WeakPolarHBondContact O-CG2 3.45Å; Y162-I166 PolarHBondContact O-N 2.94Å; Y162-L205 VanDerWaalsContact C-CD1 3.48Å; Y162-L205 HydrophobicContact CG-CD1 4.35Å
163	Y	94.3	Very high	92.8	Very high	95 Å²	95	65.4 Å²	65.4	37%	0.373	31%	0.305	S	S	.	.	H	α-helix	trans	-61.8	-46.5	176.3	-176.8	-93.5	0	0	0	111.6	V159 P160 Y161 I166 K167 L205	V159-Y163 WeakPolarHBondContact O-CB 3.48Å; V159-Y163 PolarHBondContact O-N 3.05Å; P160-Y163 PolarHBondContact O-N 3.46Å; Y161-Y163 VanDerWaalsContact C-N 3.34Å; Y161-Y163 PolarHBondContact O-N 3.26Å; Y163-I166 WeakPolarHBondContact O-CG2 3.32Å; Y163-K167 HydrophobicContact CD1-CG 4.16Å; Y163-K167 HydrophobicContact CE1-CG 3.81Å; Y163-K167 HydrophobicContact CE2-CG 4.45Å; Y163-K167 WeakPolarHBondContact O-CB 3.48Å; Y163-K167 VanDerWaalsContact O-CG 3.23Å; Y163-K167 WeakPolarHBondContact O-CG 3.27Å; Y163-K167 PolarHBondContact O-N 3.49Å; Y163-L205 HydrophobicContact CD2-CD2 3.88Å
164	L	92.4	Very high	92.7	Very high	119 Å²	119	67 Å²	67	62%	0.623	32%	0.322	S	S	*	.	H	α-helix	trans	-63.4	-43.8	175.4	-71.2	171	0	0	0	111.4	P160 Y161 I166 K167 A168	P160-L164 WeakPolarHBondContact O-CB 3.45Å; P160-L164 VanDerWaalsContact O-CG 3.26Å; P160-L164 WeakPolarHBondContact O-CG 3.39Å; P160-L164 PolarHBondContact O-N 2.74Å; Y161-L164 PolarHBondContact O-N 3.46Å; L164-I166 PolarHBondContact O-N 3.44Å; L164-K167 PolarHBondContact O-N 2.96Å; L164-A168 PolarHBondContact O-N 3.41Å
165	G	91.3	Very high	92.4	Very high	40 Å²	40	67.1 Å²	67.1	41%	0.412	33%	0.332	S	S	.	.	H	α-helix	trans	-59.1	-47.4	178.1	0	0	0	0	0	112.8	Y161 Y162 K167 A168 Y169	Y161-G165 PolarHBondContact O-N 2.89Å; Y162-G165 PolarHBondContact O-N 3.39Å; G165-K167 VanDerWaalsContact C-N 3.35Å; G165-A168 WeakPolarHBondContact O-CB 3.17Å; G165-A168 PolarHBondContact O-N 3.18Å; G165-Y169 PolarHBondContact O-N 2.95Å; G165-Y169 VanDerWaalsContact O-N 3.11Å
166	I	91	Very high	92.1	Very high	15 Å²	15	65.6 Å²	65.6	8%	0.077	32%	0.323	C	S	.	.	H	α-helix	trans	-72.7	-29.2	178.9	-158.4	69.3	0	0	0	112.5	V108 Y162 Y163 L164 Y169 D170 S181 Y207	V108-I166 HydrophobicContact CG2-CD1 3.65Å; Y162-I166 WeakPolarHBondContact O-CG2 3.45Å; Y162-I166 PolarHBondContact O-N 2.94Å; Y163-I166 WeakPolarHBondContact O-CG2 3.32Å; L164-I166 PolarHBondContact O-N 3.44Å; I166-Y169 HydrophobicContact CD1-CD1 3.96Å; I166-Y169 HydrophobicContact CD1-CG 4.44Å; I166-Y169 WeakPolarHBondContact O-CB 3.2Å; I166-Y169 PolarHBondContact O-N 2.96Å; I166-D170 PolarHBondContact O-N 2.86Å; I166-S181 WeakPolarHBondContact CG1-OG 3.48Å; I166-Y207 VanDerWaalsContact CD1-CB 3.49Å; I166-Y207 HydrophobicContact CD1-CD1 4.46Å; I166-Y207 HydrophobicContact CD1-CD2 4.04Å; I166-Y207 HydrophobicContact CD1-CG 3.76Å; I166-Y207 HydrophobicContact CG1-CG 4.36Å
167	K	94.1	Very high	92	Very high	50 Å²	50	61.7 Å²	61.7	22%	0.217	31%	0.308	C	S	.	.	H	α-helix	trans	-70	-36.3	172.7	-75.4	-69.6	166.4	-150.8	0	112.8	Y163 L164 G165 Y169 D170 F171 S180 S181	Y163-K167 HydrophobicContact CD1-CG 4.16Å; Y163-K167 HydrophobicContact CE1-CG 3.81Å; Y163-K167 HydrophobicContact CE2-CG 4.45Å; Y163-K167 WeakPolarHBondContact O-CB 3.48Å; Y163-K167 VanDerWaalsContact O-CG 3.23Å; Y163-K167 WeakPolarHBondContact O-CG 3.27Å; Y163-K167 PolarHBondContact O-N 3.49Å; L164-K167 PolarHBondContact O-N 2.96Å; G165-K167 VanDerWaalsContact C-N 3.35Å; K167-Y169 VanDerWaalsContact C-N 3.26Å; K167-Y169 PolarHBondContact O-N 3.05Å; K167-D170 IonicContact NZ-OD2 3.05Å; K167-D170 PolarHBondContact NZ-OD2 2.9Å; K167-D170 PolarHBondContact O-N 2.88Å; K167-F171 WeakPolarHBondContact O-CB 3.23Å; K167-F171 PolarHBondContact O-N 2.83Å; K167-S180 PolarHBondContact NZ-OG 2.95Å; K167-S181 VanDerWaalsContact CE-O 3.25Å; K167-S181 WeakPolarHBondContact CE-O 3.34Å; K167-S181 PolarHBondContact NZ-O 3.45Å
168	A	92.5	Very high	91.7	Very high	33 Å²	33	56 Å²	56	27%	0.273	29%	0.288	S	S	.	.	H	α-helix	trans	-60.2	-40.8	169.1	0	0	0	0	0	110.7	I115 L164 G165 F171 V172	I115-A168 HydrophobicContact CD1-CB 4.38Å; L164-A168 PolarHBondContact O-N 3.41Å; G165-A168 WeakPolarHBondContact O-CB 3.17Å; G165-A168 PolarHBondContact O-N 3.18Å; A168-F171 WeakPolarHBondContact O-CB 3.43Å; A168-F171 PolarHBondContact O-N 2.96Å; A168-V172 VanDerWaalsContact O-CG2 3.3Å; A168-V172 WeakPolarHBondContact O-CG2 3.45Å; A168-V172 PolarHBondContact O-N 2.87Å
169	Y	91.4	Very high	91.7	Very high	3 Å²	3	60 Å²	60	1%	0.012	31%	0.305	C	S	.	.	H	α-helix	trans	-63.6	-46.6	174.5	-178.1	-105.8	0	0	0	113.2	G106 V108 L111 L130 R133 G165 I166 K167 F171 V172 A173	G106-Y169 WeakPolarHBondContact CA-OH 3.37Å; V108-Y169 HydrophobicContact CB-CD1 4.47Å; V108-Y169 HydrophobicContact CB-CD2 3.99Å; V108-Y169 HydrophobicContact CB-CE1 4.46Å; V108-Y169 HydrophobicContact CB-CE2 3.99Å; V108-Y169 HydrophobicContact CB-CG 4.21Å; V108-Y169 HydrophobicContact CG2-CD1 4.23Å; V108-Y169 HydrophobicContact CG2-CD2 4.04Å; V108-Y169 HydrophobicContact CG2-CG 3.86Å; L111-Y169 HydrophobicContact CD2-CD2 3.94Å; L111-Y169 HydrophobicContact CD2-CG 4.38Å; L130-Y169 HydrophobicContact CD1-CE2 4.28Å; L130-Y169 HydrophobicContact CD2-CE1 4.37Å; L130-Y169 HydrophobicContact CD2-CE2 3.84Å; L130-Y169 WeakPolarHBondContact CD2-OH 3.43Å; L130-Y169 HydrophobicContact CG-CE2 4.33Å; R133-Y169 PolarHBondContact NH1-OH 2.81Å; G165-Y169 PolarHBondContact O-N 2.95Å; G165-Y169 VanDerWaalsContact O-N 3.11Å; I166-Y169 HydrophobicContact CD1-CD1 3.96Å; I166-Y169 HydrophobicContact CD1-CG 4.44Å; I166-Y169 WeakPolarHBondContact O-CB 3.2Å; I166-Y169 PolarHBondContact O-N 2.96Å; K167-Y169 VanDerWaalsContact C-N 3.26Å; K167-Y169 PolarHBondContact O-N 3.05Å; Y169-F171 VanDerWaalsContact C-N 3.25Å; Y169-F171 PolarHBondContact O-N 3.38Å; Y169-V172 PolarHBondContact O-N 2.71Å; Y169-A173 WeakPolarHBondContact O-CB 3.2Å; Y169-A173 PolarHBondContact O-N 3.3Å
170	D	93.6	Very high	91.6	Very high	8 Å²	8	61.4 Å²	61.4	4%	0.043	32%	0.316	C	S	.	.	H	α-helix	trans	-56	-41.5	172.9	-75	-8.3	0	0	0	111.4	I166 K167 A173 G174 S181	I166-D170 PolarHBondContact O-N 2.86Å; K167-D170 IonicContact NZ-OD2 3.05Å; K167-D170 PolarHBondContact NZ-OD2 2.9Å; K167-D170 PolarHBondContact O-N 2.88Å; D170-A173 PolarHBondContact O-N 2.66Å; D170-G174 PolarHBondContact O-N 3.32Å; D170-S181 PolarHBondContact OD1-OG 3.33Å; D170-S181 WeakPolarHBondContact OD2-CB 3.33Å; D170-S181 PolarHBondContact OD2-N 3.13Å; D170-S181 PolarHBondContact OD2-OG 3Å
171	F	93.3	Very high	91.6	Very high	168 Å²	168	58.1 Å²	58.1	74%	0.737	30%	0.295	S	S	*	.	H	α-helix	trans	-66.7	-47.2	179.4	176.5	-98.1	0	0	0	112	K167 A168 Y169 A173 G174	K167-F171 WeakPolarHBondContact O-CB 3.23Å; K167-F171 PolarHBondContact O-N 2.83Å; A168-F171 WeakPolarHBondContact O-CB 3.43Å; A168-F171 PolarHBondContact O-N 2.96Å; Y169-F171 VanDerWaalsContact C-N 3.25Å; Y169-F171 PolarHBondContact O-N 3.38Å; F171-A173 PolarHBondContact O-N 2.65Å; F171-G174 PolarHBondContact O-N 3.06Å
172	V	91.4	Very high	91.9	Very high	27 Å²	27	57.7 Å²	57.7	16%	0.164	29%	0.293	C	S	.	.	H	α-helix	trans	-63.3	-33.4	177.3	172.9	0	0	0	0	111.5	L111 Y123 V126 K127 L130 A168 Y169 G174	L111-V172 HydrophobicContact CD1-CG2 4.04Å; L111-V172 HydrophobicContact CD2-CB 4.26Å; L111-V172 HydrophobicContact CD2-CG2 4.02Å; Y123-V172 HydrophobicContact CE2-CG1 3.91Å; Y123-V172 HydrophobicContact CE2-CG2 3.82Å; V126-V172 HydrophobicContact CG1-CG1 4.26Å; K127-V172 HydrophobicContact CG-CG1 4.19Å; L130-V172 HydrophobicContact CD1-CG1 3.97Å; A168-V172 VanDerWaalsContact O-CG2 3.3Å; A168-V172 WeakPolarHBondContact O-CG2 3.45Å; A168-V172 PolarHBondContact O-N 2.87Å; Y169-V172 PolarHBondContact O-N 2.71Å; V172-G174 VanDerWaalsContact C-N 3.3Å; V172-G174 PolarHBondContact O-N 3.12Å
173	A	89.4	Confident	92.1	Very high	4 Å²	4	58.8 Å²	58.8	3%	0.033	30%	0.298	C	S	.	.	H	α-helix	trans	-65.6	-31.3	173.4	0	0	0	0	0	113	L130 Y169 D170 F171 S175 R176 R177	L130-A173 HydrophobicContact CD1-CB 4.1Å; L130-A173 HydrophobicContact CD2-CB 3.9Å; Y169-A173 WeakPolarHBondContact O-CB 3.2Å; Y169-A173 PolarHBondContact O-N 3.3Å; D170-A173 PolarHBondContact O-N 2.66Å; F171-A173 PolarHBondContact O-N 2.65Å; A173-S175 PolarHBondContact O-N 3.46Å; A173-R176 WeakPolarHBondContact O-CA 3.46Å; A173-R176 VanDerWaalsContact O-CB 3.32Å; A173-R176 WeakPolarHBondContact O-CB 3.03Å; A173-R176 PolarHBondContact O-N 3.17Å; A173-R177 HydrophobicContact CB-CB 3.91Å
174	G	91.4	Very high	92.3	Very high	35 Å²	35	54.6 Å²	54.6	36%	0.361	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	53.4	-124.4	175.9	0	0	0	0	0	112.3	D170 F171 V172 R176 R177	D170-G174 PolarHBondContact O-N 3.32Å; F171-G174 PolarHBondContact O-N 3.06Å; V172-G174 VanDerWaalsContact C-N 3.3Å; V172-G174 PolarHBondContact O-N 3.12Å; G174-R176 PolarHBondContact O-N 3.43Å; G174-R177 VanDerWaalsContact O-CB 3.25Å; G174-R177 WeakPolarHBondContact O-CB 3.39Å; G174-R177 PolarHBondContact O-N 3.22Å
175	S	86.9	Confident	92.5	Very high	61 Å²	61	51.8 Å²	51.8	43%	0.427	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-66.1	-15.4	176.4	59.2	0	0	0	0	114.9	A173 R177	A173-S175 PolarHBondContact O-N 3.46Å; S175-R177 VanDerWaalsContact C-N 3.35Å
176	R	87.8	Confident	92.7	Very high	87 Å²	87	53.6 Å²	53.6	33%	0.328	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-95.6	6.3	180	-56	156.4	-174.5	169.3	1.3	112	Y134 A173 G174 L178	Y134-R176 HydrophobicContact CD1-CG 4.46Å; Y134-R176 HydrophobicContact CD2-CB 4.34Å; Y134-R176 HydrophobicContact CG-CB 4.1Å; Y134-R176 HydrophobicContact CG-CG 4.27Å; A173-R176 WeakPolarHBondContact O-CA 3.46Å; A173-R176 VanDerWaalsContact O-CB 3.32Å; A173-R176 WeakPolarHBondContact O-CB 3.03Å; A173-R176 PolarHBondContact O-N 3.17Å; G174-R176 PolarHBondContact O-N 3.43Å; R176-L178 PolarHBondContact O-N 3.43Å
177	R	89.8	Confident	93	Very high	115 Å²	115	59.3 Å²	59.3	43%	0.434	29%	0.29	S	S	.	.			trans	-66.8	125	173.2	-177.6	-175	65.5	-174.1	-5.1	109.2	A173 G174 S175 K179	A173-R177 HydrophobicContact CB-CB 3.91Å; G174-R177 VanDerWaalsContact O-CB 3.25Å; G174-R177 WeakPolarHBondContact O-CB 3.39Å; G174-R177 PolarHBondContact O-N 3.22Å; S175-R177 VanDerWaalsContact C-N 3.35Å; R177-K179 WeakPolarHBondContact CG-O 3.42Å
178	L	89.5	Confident	93.1	Very high	35 Å²	35	64 Å²	64	18%	0.183	31%	0.306	C	S	.	.	S	Bend	trans	-66.8	-56.1	179.1	-58.5	175.3	0	0	0	110.9	I137 V146 R176 D209	I137-L178 HydrophobicContact CD1-CD1 4.09Å; I137-L178 HydrophobicContact CD1-CD2 3.6Å; V146-L178 HydrophobicContact CG1-CB 3.94Å; V146-L178 HydrophobicContact CG1-CD1 4.11Å; V146-L178 HydrophobicContact CG2-CB 4.04Å; V146-L178 HydrophobicContact CG2-CD1 4.1Å; V146-L178 HydrophobicContact CG2-CD2 4.04Å; V146-L178 HydrophobicContact CG2-CG 4.26Å; R176-L178 PolarHBondContact O-N 3.43Å; L178-D209 WeakPolarHBondContact CD1-O 3.26Å
179	K	92.4	Very high	93.2	Very high	115 Å²	115	62.5 Å²	62.5	50%	0.5	29%	0.293	S	S	.	.	S	Bend	trans	-149.8	159.2	172.8	-66.2	-176.3	-178.4	178.8	0	109	R177 Y208	R177-K179 WeakPolarHBondContact CG-O 3.42Å; K179-Y208 HydrophobicContact CB-CD1 4.14Å; K179-Y208 HydrophobicContact CB-CD2 3.48Å; K179-Y208 VanDerWaalsContact CB-CD2 3.48Å; K179-Y208 HydrophobicContact CB-CE1 4.21Å; K179-Y208 HydrophobicContact CB-CE2 3.56Å; K179-Y208 HydrophobicContact CB-CG 3.75Å; K179-Y208 HydrophobicContact CD-CD1 4.07Å; K179-Y208 HydrophobicContact CD-CE1 3.66Å; K179-Y208 HydrophobicContact CD-CE2 4.36Å; K179-Y208 HydrophobicContact CG-CD1 4.44Å; K179-Y208 HydrophobicContact CG-CE1 4.43Å; K179-Y208 HydrophobicContact CG-CG 4.48Å
180	S	94	Very high	93.3	Very high	54 Å²	54	63.9 Å²	63.9	38%	0.378	30%	0.301	S	S	.	.			trans	-71.7	129.3	176.6	-172.5	0	0	0	0	110.1	K167	K167-S180 PolarHBondContact NZ-OG 2.95Å
181	S	94.7	Very high	93.2	Very high	2 Å²	2	70.7 Å²	70.7	1%	0.014	33%	0.333	C	S	.	.			trans	-72.5	151.4	177	-54.8	0	0	0	0	110.9	I166 K167 D170 I206 Y207	I166-S181 WeakPolarHBondContact CG1-OG 3.48Å; K167-S181 VanDerWaalsContact CE-O 3.25Å; K167-S181 WeakPolarHBondContact CE-O 3.34Å; K167-S181 PolarHBondContact NZ-O 3.45Å; D170-S181 PolarHBondContact OD1-OG 3.33Å; D170-S181 WeakPolarHBondContact OD2-CB 3.33Å; D170-S181 PolarHBondContact OD2-N 3.13Å; D170-S181 PolarHBondContact OD2-OG 3Å; S181-I206 CarbonylContact C-O 3.3Å; S181-I206 WeakPolarHBondContact CA-O 3.26Å; S181-I206 WeakPolarHBondContact CB-O 3.41Å; S181-Y207 WeakPolarHBondContact OG-CB 3.23Å
182	Y	96.4	Very high	93.1	Very high	96 Å²	96	66.4 Å²	66.4	38%	0.376	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	162.3	-177.9	57.9	-89.6	0	0	0	112.8	I184 L205 I206 Y208	Y182-I184 HydrophobicContact CD2-CG2 3.68Å; Y182-I184 HydrophobicContact CE2-CG2 3.45Å; Y182-I184 VanDerWaalsContact CE2-CG2 3.45Å; Y182-L205 WeakPolarHBondContact O-CA 3.47Å; Y182-I206 HydrophobicContact CD1-CB 4.48Å; Y182-I206 HydrophobicContact CD2-CB 4.33Å; Y182-I206 HydrophobicContact CD2-CG1 4.4Å; Y182-I206 HydrophobicContact CE1-CB 4.07Å; Y182-I206 HydrophobicContact CE1-CG2 4.08Å; Y182-I206 HydrophobicContact CE2-CB 3.91Å; Y182-I206 HydrophobicContact CE2-CG1 3.76Å; Y182-I206 PolarHBondContact N-O 3.29Å; Y182-I206 PolarHBondContact O-N 2.94Å; Y182-Y208 HydrophobicContact CD1-CE2 4.47Å; Y182-Y208 AromaticContact CE1-CE2 4Å; Y182-Y208 HydrophobicContact CE1-CE2 4Å; Y182-Y208 WeakPolarHBondContact CE1-OH 2.77Å
183	Y	97.2	Very high	93.1	Very high	73 Å²	73	65.3 Å²	65.3	29%	0.286	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	143.5	173.3	175.3	-99.3	0	0	0	110.9	V159 V202 A204 L205	V159-Y183 HydrophobicContact CG1-CD2 3.84Å; V159-Y183 HydrophobicContact CG1-CE2 3.73Å; V159-Y183 HydrophobicContact CG1-CG 4.43Å; V159-Y183 HydrophobicContact CG2-CE2 4.02Å; Y183-V202 PolarHBondContact OH-O 3.46Å; Y183-V202 VanDerWaalsContact OH-O 3.08Å; Y183-A204 WeakPolarHBondContact CD2-O 3.46Å; Y183-L205 HydrophobicContact CD2-CD2 4.21Å
184	I	96.9	Very high	93.1	Very high	7 Å²	7	69 Å²	69	4%	0.036	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144.2	168.7	59.9	175.2	0	0	0	109.7	M150 Y182 R188 A189 L192 G203 A204 I206	M150-I184 HydrophobicContact CE-CD1 4.1Å; Y182-I184 HydrophobicContact CD2-CG2 3.68Å; Y182-I184 HydrophobicContact CE2-CG2 3.45Å; Y182-I184 VanDerWaalsContact CE2-CG2 3.45Å; I184-R188 HydrophobicContact CB-CB 4.06Å; I184-R188 HydrophobicContact CD1-CB 4.47Å; I184-A189 HydrophobicContact CD1-CB 3.98Å; I184-A189 HydrophobicContact CG1-CB 4.27Å; I184-L192 HydrophobicContact CD1-CD1 3.64Å; I184-G203 WeakPolarHBondContact O-CA 3.45Å; I184-A204 HydrophobicContact CD1-CB 4.2Å; I184-A204 HydrophobicContact CG1-CB 3.9Å; I184-A204 WeakPolarHBondContact CG1-O 3.42Å; I184-A204 PolarHBondContact N-O 2.86Å; I184-A204 PolarHBondContact O-N 2.93Å; I184-I206 HydrophobicContact CD1-CD1 3.95Å; I184-I206 HydrophobicContact CD1-CG1 4.06Å; I184-I206 HydrophobicContact CG1-CG1 4.41Å; I184-I206 HydrophobicContact CG2-CG1 4.36Å
185	N	96.9	Very high	93	Very high	59 Å²	59	69.1 Å²	69.1	32%	0.316	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	169.5	176.3	69.9	-10.3	0	0	0	111.3	E187 R188 A189	N185-E187 VanDerWaalsContact C-N 3.32Å; N185-E187 PolarHBondContact ND2-OE2 3.23Å; N185-E187 VanDerWaalsContact ND2-OE2 3.17Å; N185-E187 PolarHBondContact O-N 3.27Å; N185-R188 PolarHBondContact O-N 2.96Å; N185-R188 WeakPolarHBondContact OD1-CB 3.38Å; N185-R188 VanDerWaalsContact OD1-CG 3.3Å; N185-R188 WeakPolarHBondContact OD1-CG 3.38Å; N185-R188 PolarHBondContact OD1-N 2.79Å; N185-R188 VanDerWaalsContact OD1-N 3.11Å; N185-A189 PolarHBondContact O-N 3.16Å
186	K	96.2	Very high	93.1	Very high	79 Å²	79	66.2 Å²	66.2	34%	0.343	31%	0.305	S	S	.	.	H	α-helix	trans	-48.6	-49	177.7	-175.5	-176.5	-171.9	157.1	0	113.4	A189 L190 K198 L201 V202	K186-A189 WeakPolarHBondContact O-CB 3.47Å; K186-A189 PolarHBondContact O-N 3.19Å; K186-L190 HydrophobicContact CG-CD1 4.06Å; K186-L190 WeakPolarHBondContact O-CG 3.4Å; K186-L190 PolarHBondContact O-N 3.01Å; K186-K198 VanDerWaalsContact CE-O 3.3Å; K186-K198 WeakPolarHBondContact CE-O 3.2Å; K186-K198 PolarHBondContact NZ-O 3.08Å; K186-L201 VanDerWaalsContact CD-O 3.26Å; K186-L201 WeakPolarHBondContact CD-O 3.48Å; K186-L201 HydrophobicContact CG-CB 4.4Å; K186-L201 HydrophobicContact CG-CD2 4.12Å; K186-L201 HydrophobicContact CG-CG 4.25Å; K186-V202 PolarHBondContact N-O 2.97Å
187	E	96.7	Very high	93.2	Very high	134 Å²	134	66.9 Å²	66.9	63%	0.626	31%	0.308	S	S	*	.	H	α-helix	trans	-58.4	-52.8	-176.9	-67.8	156.7	-178.8	0	0	111.3	N185 A189 L190 E191	N185-E187 VanDerWaalsContact C-N 3.32Å; N185-E187 PolarHBondContact ND2-OE2 3.23Å; N185-E187 VanDerWaalsContact ND2-OE2 3.17Å; N185-E187 PolarHBondContact O-N 3.27Å; E187-A189 VanDerWaalsContact C-N 3.3Å; E187-A189 PolarHBondContact O-N 3.12Å; E187-L190 PolarHBondContact O-N 3.14Å; E187-L190 VanDerWaalsContact O-N 3.15Å; E187-E191 WeakPolarHBondContact O-CG 3.46Å; E187-E191 PolarHBondContact O-N 3.34Å
188	R	96	Very high	93.3	Very high	150 Å²	150	66.2 Å²	66.2	57%	0.566	31%	0.308	S	S	*	.	H	α-helix	trans	-63.9	-34.1	177.8	-72.3	179.4	178.3	-179.6	0.9	113	I184 N185 L190 E191 L192	I184-R188 HydrophobicContact CB-CB 4.06Å; I184-R188 HydrophobicContact CD1-CB 4.47Å; N185-R188 PolarHBondContact O-N 2.96Å; N185-R188 WeakPolarHBondContact OD1-CB 3.38Å; N185-R188 VanDerWaalsContact OD1-CG 3.3Å; N185-R188 WeakPolarHBondContact OD1-CG 3.38Å; N185-R188 PolarHBondContact OD1-N 2.79Å; N185-R188 VanDerWaalsContact OD1-N 3.11Å; R188-L190 VanDerWaalsContact C-N 3.33Å; R188-E191 PolarHBondContact O-N 3.43Å; R188-L192 WeakPolarHBondContact O-CB 3.27Å; R188-L192 PolarHBondContact O-N 3.21Å
189	A	94.3	Very high	93.3	Very high	0 Å²	0	69 Å²	69	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63.1	-42.6	175.4	0	0	0	0	0	111.1	M150 I184 N185 K186 E187 L192 F193 L201 A204	M150-A189 HydrophobicContact SD-CB 4.48Å; I184-A189 HydrophobicContact CD1-CB 3.98Å; I184-A189 HydrophobicContact CG1-CB 4.27Å; N185-A189 PolarHBondContact O-N 3.16Å; K186-A189 WeakPolarHBondContact O-CB 3.47Å; K186-A189 PolarHBondContact O-N 3.19Å; E187-A189 VanDerWaalsContact C-N 3.3Å; E187-A189 PolarHBondContact O-N 3.12Å; A189-L192 PolarHBondContact O-N 3.16Å; A189-F193 PolarHBondContact O-N 3.37Å; A189-L201 HydrophobicContact CB-CD2 4.39Å; A189-A204 HydrophobicContact CB-CB 3.97Å
190	L	93.8	Very high	93.3	Very high	33 Å²	33	68 Å²	68	17%	0.173	33%	0.327	C	S	.	.	H	α-helix	trans	-73.9	-28.6	177.2	-64.6	175.7	0	0	0	113.2	K186 E187 R188 F193 P194 L196 K198 L201	K186-L190 HydrophobicContact CG-CD1 4.06Å; K186-L190 WeakPolarHBondContact O-CG 3.4Å; K186-L190 PolarHBondContact O-N 3.01Å; E187-L190 PolarHBondContact O-N 3.14Å; E187-L190 VanDerWaalsContact O-N 3.15Å; R188-L190 VanDerWaalsContact C-N 3.33Å; L190-F193 CarbonylContact O-C 3.59Å; L190-F193 VanDerWaalsContact O-C 3.26Å; L190-P194 WeakPolarHBondContact O-CA 3.41Å; L190-P194 WeakPolarHBondContact O-CG 3.4Å; L190-P194 VanDerWaalsContact O-N 3.09Å; L190-L196 HydrophobicContact CD2-CB 4.09Å; L190-L196 WeakPolarHBondContact CD2-O 3.48Å; L190-K198 HydrophobicContact CD1-CB 4.42Å; L190-K198 HydrophobicContact CD1-CD 4.19Å; L190-K198 HydrophobicContact CD1-CG 3.83Å; L190-K198 HydrophobicContact CD2-CG 3.74Å; L190-K198 HydrophobicContact CG-CG 4.45Å; L190-L201 HydrophobicContact CD2-CD2 3.76Å; L190-L201 HydrophobicContact CG-CD2 3.99Å
191	E	92.6	Very high	93.3	Very high	151 Å²	151	65.7 Å²	65.7	71%	0.706	31%	0.311	S	S	*	.	H	α-helix	trans	-64.5	-41.8	169.2	-73.4	173.2	176.9	0	0	111.6	E187 R188	E187-E191 WeakPolarHBondContact O-CG 3.46Å; E187-E191 PolarHBondContact O-N 3.34Å; R188-E191 PolarHBondContact O-N 3.43Å
192	L	91	Very high	93.4	Very high	77 Å²	77	66.2 Å²	66.2	40%	0.403	31%	0.314	S	S	.	.	H	α-helix	trans	-71.8	-38.2	177.2	-90.2	151.8	0	0	0	112.4	M150 I184 R188 A189 P313	M150-L192 HydrophobicContact CE-CB 3.45Å; M150-L192 VanDerWaalsContact CE-CB 3.45Å; M150-L192 HydrophobicContact CE-CD1 4.06Å; M150-L192 HydrophobicContact CE-CG 4.29Å; I184-L192 HydrophobicContact CD1-CD1 3.64Å; R188-L192 WeakPolarHBondContact O-CB 3.27Å; R188-L192 PolarHBondContact O-N 3.21Å; A189-L192 PolarHBondContact O-N 3.16Å; L192-P313 WeakPolarHBondContact O-CB 3.37Å
193	F	91.3	Very high	93.4	Very high	5 Å²	5	61.7 Å²	61.7	2%	0.022	30%	0.296	C	S	.	.			trans	-135.5	86	178.5	-166.7	-153.6	0	0	0	111.8	M150 A189 L190 L195 L196 P313 L318 L371	M150-F193 HydrophobicContact CE-CB 4.48Å; A189-F193 PolarHBondContact O-N 3.37Å; L190-F193 CarbonylContact O-C 3.59Å; L190-F193 VanDerWaalsContact O-C 3.26Å; F193-L195 HydrophobicContact CD2-CB 4.23Å; F193-L195 HydrophobicContact CE2-CB 3.65Å; F193-L195 HydrophobicContact CE2-CD1 4.33Å; F193-L195 HydrophobicContact CE2-CG 4.12Å; F193-L195 HydrophobicContact CZ-CB 3.99Å; F193-L195 PolarHBondContact O-N 3.32Å; F193-L196 HydrophobicContact CB-CB 4.15Å; F193-L196 HydrophobicContact CD1-CB 3.54Å; F193-L196 HydrophobicContact CD1-CD1 3.95Å; F193-L196 HydrophobicContact CD1-CG 4.2Å; F193-L196 HydrophobicContact CE1-CB 4.11Å; F193-L196 HydrophobicContact CE1-CD1 4.14Å; F193-L196 HydrophobicContact CG-CB 4.03Å; F193-L196 WeakPolarHBondContact O-CB 3.38Å; F193-L196 PolarHBondContact O-N 3.32Å; F193-P313 HydrophobicContact CB-CG 3.71Å; F193-P313 HydrophobicContact CD1-CG 4.4Å; F193-P313 HydrophobicContact CD2-CG 3.84Å; F193-P313 HydrophobicContact CG-CG 3.72Å; F193-L318 HydrophobicContact CD1-CD1 4.07Å; F193-L318 HydrophobicContact CD1-CD2 4.12Å; F193-L318 HydrophobicContact CE1-CD1 4.38Å; F193-L318 HydrophobicContact CE1-CD2 3.57Å; F193-L318 HydrophobicContact CE1-CG 4.5Å; F193-L318 HydrophobicContact CZ-CD2 4.49Å; F193-L371 HydrophobicContact CZ-CD2 4.09Å
194	P	89.3	Confident	93.3	Very high	81 Å²	81	58.2 Å²	58.2	53%	0.526	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-26.4	-176.4	-26.5	35.7	0	0	0	114.7	L190 L196	L190-P194 WeakPolarHBondContact O-CA 3.41Å; L190-P194 WeakPolarHBondContact O-CG 3.4Å; L190-P194 VanDerWaalsContact O-N 3.09Å; P194-L196 PolarHBondContact O-N 3.41Å
195	L	88.9	Confident	93.2	Very high	38 Å²	38	58 Å²	58	20%	0.199	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-8.6	178.4	-50.3	-171.4	0	0	0	112.8	F193 R197 Y310 L371 V372 V375	F193-L195 HydrophobicContact CD2-CB 4.23Å; F193-L195 HydrophobicContact CE2-CB 3.65Å; F193-L195 HydrophobicContact CE2-CD1 4.33Å; F193-L195 HydrophobicContact CE2-CG 4.12Å; F193-L195 HydrophobicContact CZ-CB 3.99Å; F193-L195 PolarHBondContact O-N 3.32Å; L195-R197 PolarHBondContact O-N 3.1Å; L195-Y310 WeakPolarHBondContact CD1-O 3.36Å; L195-L371 HydrophobicContact CB-CD2 3.84Å; L195-L371 HydrophobicContact CD1-CD2 4.29Å; L195-L371 CarbonylContact O-C 3.47Å; L195-L371 VanDerWaalsContact O-CA 3.28Å; L195-L371 WeakPolarHBondContact O-CA 3.39Å; L195-V372 PolarHBondContact O-N 3.13Å; L195-V375 HydrophobicContact CD2-CG2 4.12Å
196	L	90.4	Very high	93.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-64.7	135	179.7	-172.8	62.3	0	0	0	110.9	M150 P152 L190 F193 P194 K198 L201 L318 Y370 V372	M150-L196 HydrophobicContact SD-CD2 4.31Å; P152-L196 HydrophobicContact CB-CD1 4.27Å; P152-L196 HydrophobicContact CB-CD2 4.19Å; P152-L196 HydrophobicContact CG-CD1 3.82Å; P152-L196 HydrophobicContact CG-CD2 4.09Å; L190-L196 HydrophobicContact CD2-CB 4.09Å; L190-L196 WeakPolarHBondContact CD2-O 3.48Å; F193-L196 HydrophobicContact CB-CB 4.15Å; F193-L196 HydrophobicContact CD1-CB 3.54Å; F193-L196 HydrophobicContact CD1-CD1 3.95Å; F193-L196 HydrophobicContact CD1-CG 4.2Å; F193-L196 HydrophobicContact CE1-CB 4.11Å; F193-L196 HydrophobicContact CE1-CD1 4.14Å; F193-L196 HydrophobicContact CG-CB 4.03Å; F193-L196 WeakPolarHBondContact O-CB 3.38Å; F193-L196 PolarHBondContact O-N 3.32Å; P194-L196 PolarHBondContact O-N 3.41Å; L196-K198 PolarHBondContact O-N 3.33Å; L196-L201 HydrophobicContact CD2-CD1 4.13Å; L196-L201 HydrophobicContact CD2-CD2 3.72Å; L196-L201 HydrophobicContact CG-CD2 4.32Å; L196-L318 HydrophobicContact CD1-CD1 4.45Å; L196-Y370 HydrophobicContact CD1-CD1 4.38Å; L196-V372 WeakPolarHBondContact O-CG1 3.12Å
197	R	89.4	Confident	93.1	Very high	100 Å²	100	51.9 Å²	51.9	38%	0.377	25%	0.252	S	S	.	.			trans	-53.7	126	175.1	-167.4	173.7	-171.3	170.5	4.1	111.8	Y154 L195 E199 Y370	Y154-R197 PolarHBondContact OH-O 3.1Å; L195-R197 PolarHBondContact O-N 3.1Å; R197-E199 WeakPolarHBondContact CG-OE2 3.27Å; R197-E199 IonicContact NE-OE2 2.76Å; R197-E199 PolarHBondContact NE-OE2 3.14Å; R197-Y370 WeakPolarHBondContact CB-O 3.33Å; R197-Y370 PolarHBondContact N-O 3.2Å
198	K	91.6	Very high	93	Very high	101 Å²	101	46.9 Å²	46.9	44%	0.439	23%	0.228	S	C	.	.			trans	-91.4	-25.3	-170.1	-61.1	179.3	-177.6	169.8	0	112.6	K186 L190 L196 S200 L201 V372	K186-K198 VanDerWaalsContact CE-O 3.3Å; K186-K198 WeakPolarHBondContact CE-O 3.2Å; K186-K198 PolarHBondContact NZ-O 3.08Å; L190-K198 HydrophobicContact CD1-CB 4.42Å; L190-K198 HydrophobicContact CD1-CD 4.19Å; L190-K198 HydrophobicContact CD1-CG 3.83Å; L190-K198 HydrophobicContact CD2-CG 3.74Å; L190-K198 HydrophobicContact CG-CG 4.45Å; L196-K198 PolarHBondContact O-N 3.33Å; K198-S200 PolarHBondContact O-N 3.42Å; K198-L201 PolarHBondContact O-N 3.24Å; K198-V372 HydrophobicContact CG-CG1 4.32Å
199	E	90.3	Very high	92.9	Very high	94 Å²	94	39.7 Å²	39.7	44%	0.439	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	130.8	-175.8	-61.1	68.8	-131.7	0	0	109.7	Y154 R197 L201	Y154-E199 WeakPolarHBondContact CD1-O 3.43Å; Y154-E199 WeakPolarHBondContact CE1-O 3.25Å; R197-E199 WeakPolarHBondContact CG-OE2 3.27Å; R197-E199 IonicContact NE-OE2 2.76Å; R197-E199 PolarHBondContact NE-OE2 3.14Å; E199-L201 PolarHBondContact O-N 2.96Å
200	S	91.1	Very high	92.9	Very high	93 Å²	93	39.7 Å²	39.7	65%	0.65	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	0.3	-177.1	-51.2	0	0	0	0	116.5	Y154 K198 V202	Y154-S200 CarbonylContact C-O 3.53Å; Y154-S200 WeakPolarHBondContact CA-O 3.44Å; Y154-S200 VanDerWaalsContact O-O 3.13Å; K198-S200 PolarHBondContact O-N 3.42Å; S200-V202 PolarHBondContact O-N 2.91Å
201	L	94.4	Very high	93	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.031	20%	0.198	C	C	.	.			trans	-63.5	120.3	177.4	-175.7	68.8	0	0	0	109.9	P152 Y154 K186 A189 L190 L196 K198 E199 G203	P152-L201 HydrophobicContact CB-CD1 4.03Å; Y154-L201 HydrophobicContact CD1-CB 4.17Å; Y154-L201 HydrophobicContact CD1-CD1 4.35Å; Y154-L201 HydrophobicContact CE1-CB 3.93Å; Y154-L201 HydrophobicContact CE1-CD1 3.98Å; Y154-L201 HydrophobicContact CE2-CD1 4.44Å; K186-L201 VanDerWaalsContact CD-O 3.26Å; K186-L201 WeakPolarHBondContact CD-O 3.48Å; K186-L201 HydrophobicContact CG-CB 4.4Å; K186-L201 HydrophobicContact CG-CD2 4.12Å; K186-L201 HydrophobicContact CG-CG 4.25Å; A189-L201 HydrophobicContact CB-CD2 4.39Å; L190-L201 HydrophobicContact CD2-CD2 3.76Å; L190-L201 HydrophobicContact CG-CD2 3.99Å; L196-L201 HydrophobicContact CD2-CD1 4.13Å; L196-L201 HydrophobicContact CD2-CD2 3.72Å; L196-L201 HydrophobicContact CG-CD2 4.32Å; K198-L201 PolarHBondContact O-N 3.24Å; E199-L201 PolarHBondContact O-N 2.96Å; L201-G203 WeakPolarHBondContact CD1-O 3.35Å
202	V	95.9	Very high	93.3	Very high	14 Å²	14	32.4 Å²	32.4	9%	0.085	17%	0.166	C	C	.	.			trans	-90.1	-39.2	177.9	176.2	0	0	0	0	110.4	I153 W156 V159 Y183 K186 S200	I153-V202 WeakPolarHBondContact O-CB 3.42Å; I153-V202 PolarHBondContact O-N 2.9Å; W156-V202 HydrophobicContact CD2-CG1 3.59Å; W156-V202 HydrophobicContact CD2-CG2 4.05Å; W156-V202 HydrophobicContact CE3-CG1 3.46Å; W156-V202 VanDerWaalsContact CE3-CG1 3.46Å; W156-V202 HydrophobicContact CG-CG1 4.31Å; W156-V202 HydrophobicContact CG-CG2 4.07Å; W156-V202 HydrophobicContact CH2-CG1 3.84Å; W156-V202 HydrophobicContact CZ2-CG1 3.94Å; W156-V202 HydrophobicContact CZ3-CG1 3.59Å; V159-V202 HydrophobicContact CG2-CG1 3.85Å; Y183-V202 PolarHBondContact OH-O 3.46Å; Y183-V202 VanDerWaalsContact OH-O 3.08Å; K186-V202 PolarHBondContact N-O 2.97Å; S200-V202 PolarHBondContact O-N 2.91Å
203	G	96.5	Very high	93.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.9	-159.3	-178.9	0	0	0	0	0	110.5	I153 I184 L201	I153-G203 PolarHBondContact N-O 2.8Å; I153-G203 PolarHBondContact O-N 3.19Å; I184-G203 WeakPolarHBondContact O-CA 3.45Å; L201-G203 WeakPolarHBondContact CD1-O 3.35Å
204	A	96	Very high	93.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	157	177.2	0	0	0	0	0	112	M150 L151 Y183 I184 A189	M150-A204 HydrophobicContact CG-CB 3.56Å; M150-A204 HydrophobicContact SD-CB 3.94Å; L151-A204 CarbonylContact O-C 3.26Å; L151-A204 VanDerWaalsContact O-CA 3.26Å; L151-A204 WeakPolarHBondContact O-CA 3.39Å; L151-A204 WeakPolarHBondContact O-CB 3.4Å; Y183-A204 WeakPolarHBondContact CD2-O 3.46Å; I184-A204 HydrophobicContact CD1-CB 4.2Å; I184-A204 HydrophobicContact CG1-CB 3.9Å; I184-A204 WeakPolarHBondContact CG1-O 3.42Å; I184-A204 PolarHBondContact N-O 2.86Å; I184-A204 PolarHBondContact O-N 2.93Å; A189-A204 HydrophobicContact CB-CB 3.97Å
205	L	95.7	Very high	94.4	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.016	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	137.6	166.2	-72.2	167	0	0	0	110	M150 L151 I153 Y162 Y163 Y182 Y183	M150-L205 CarbonylContact C-O 3.56Å; M150-L205 WeakPolarHBondContact CA-O 3.15Å; L151-L205 HydrophobicContact CB-CB 4.39Å; L151-L205 PolarHBondContact N-O 2.82Å; L151-L205 PolarHBondContact O-N 2.89Å; I153-L205 HydrophobicContact CD1-CD1 3.85Å; I153-L205 HydrophobicContact CD1-CG 3.82Å; Y162-L205 VanDerWaalsContact C-CD1 3.48Å; Y162-L205 HydrophobicContact CG-CD1 4.35Å; Y163-L205 HydrophobicContact CD2-CD2 3.88Å; Y182-L205 WeakPolarHBondContact O-CA 3.47Å; Y183-L205 HydrophobicContact CD2-CD2 4.21Å
206	I	95.2	Very high	94.8	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.015	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	120.1	168.7	-54.6	-56.5	0	0	0	107.6	P148 M150 S181 Y182 I184 Y208	P148-I206 HydrophobicContact CB-CG2 3.84Å; M150-I206 HydrophobicContact CB-CD1 3.72Å; M150-I206 HydrophobicContact CE-CD1 4.13Å; M150-I206 HydrophobicContact CG-CD1 3.82Å; S181-I206 CarbonylContact C-O 3.3Å; S181-I206 WeakPolarHBondContact CA-O 3.26Å; S181-I206 WeakPolarHBondContact CB-O 3.41Å; Y182-I206 HydrophobicContact CD1-CB 4.48Å; Y182-I206 HydrophobicContact CD2-CB 4.33Å; Y182-I206 HydrophobicContact CD2-CG1 4.4Å; Y182-I206 HydrophobicContact CE1-CB 4.07Å; Y182-I206 HydrophobicContact CE1-CG2 4.08Å; Y182-I206 HydrophobicContact CE2-CB 3.91Å; Y182-I206 HydrophobicContact CE2-CG1 3.76Å; Y182-I206 PolarHBondContact N-O 3.29Å; Y182-I206 PolarHBondContact O-N 2.94Å; I184-I206 HydrophobicContact CD1-CD1 3.95Å; I184-I206 HydrophobicContact CD1-CG1 4.06Å; I184-I206 HydrophobicContact CG1-CG1 4.41Å; I184-I206 HydrophobicContact CG2-CG1 4.36Å; I206-Y208 HydrophobicContact CG2-CE2 4.22Å
207	Y	94.8	Very high	95.2	Very high	7 Å²	7	24.1 Å²	24.1	3%	0.027	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	168.4	168.5	81.6	-85.3	0	0	0	110.4	P148 I149 I166 S181 D209 L319	P148-Y207 CarbonylContact C-O 3.57Å; P148-Y207 WeakPolarHBondContact CA-O 3.33Å; I149-Y207 HydrophobicContact CB-CD1 4.07Å; I149-Y207 HydrophobicContact CB-CE1 3.57Å; I149-Y207 HydrophobicContact CB-CE2 4.35Å; I149-Y207 HydrophobicContact CD1-CE2 4.16Å; I149-Y207 WeakPolarHBondContact CD1-OH 3.42Å; I149-Y207 HydrophobicContact CG2-CD1 4.36Å; I149-Y207 HydrophobicContact CG2-CE1 3.52Å; I149-Y207 PolarHBondContact N-O 2.87Å; I149-Y207 WeakPolarHBondContact O-CD1 3.19Å; I149-Y207 PolarHBondContact O-N 3.34Å; I166-Y207 VanDerWaalsContact CD1-CB 3.49Å; I166-Y207 HydrophobicContact CD1-CD1 4.46Å; I166-Y207 HydrophobicContact CD1-CD2 4.04Å; I166-Y207 HydrophobicContact CD1-CG 3.76Å; I166-Y207 HydrophobicContact CG1-CG 4.36Å; S181-Y207 WeakPolarHBondContact OG-CB 3.23Å; Y207-D209 HydrophobicContact CE2-CB 4.23Å; Y207-L319 HydrophobicContact CE1-CD2 3.85Å
208	Y	94.7	Very high	95.6	Very high	28 Å²	28	19.4 Å²	19.4	11%	0.11	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	128.2	-173.3	-65.6	-88.3	0	0	0	112	R133 V146 P148 K179 Y182 I206	R133-Y208 PolarHBondContact NH1-O 3.27Å; V146-Y208 HydrophobicContact CG1-CD1 3.66Å; V146-Y208 HydrophobicContact CG1-CG 4.24Å; P148-Y208 HydrophobicContact CB-CD1 3.9Å; P148-Y208 HydrophobicContact CB-CE1 3.58Å; P148-Y208 HydrophobicContact CG-CE1 4.27Å; K179-Y208 HydrophobicContact CB-CD1 4.14Å; K179-Y208 HydrophobicContact CB-CD2 3.48Å; K179-Y208 VanDerWaalsContact CB-CD2 3.48Å; K179-Y208 HydrophobicContact CB-CE1 4.21Å; K179-Y208 HydrophobicContact CB-CE2 3.56Å; K179-Y208 HydrophobicContact CB-CG 3.75Å; K179-Y208 HydrophobicContact CD-CD1 4.07Å; K179-Y208 HydrophobicContact CD-CE1 3.66Å; K179-Y208 HydrophobicContact CD-CE2 4.36Å; K179-Y208 HydrophobicContact CG-CD1 4.44Å; K179-Y208 HydrophobicContact CG-CE1 4.43Å; K179-Y208 HydrophobicContact CG-CG 4.48Å; Y182-Y208 HydrophobicContact CD1-CE2 4.47Å; Y182-Y208 AromaticContact CE1-CE2 4Å; Y182-Y208 HydrophobicContact CE1-CE2 4Å; Y182-Y208 WeakPolarHBondContact CE1-OH 2.77Å; I206-Y208 HydrophobicContact CG2-CE2 4.22Å
209	D	93.3	Very high	96	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	176.7	170.9	-136.7	-10.8	0	0	0	112.9	I104 H105 G106 R133 V146 L147 I149 L178 Y207	I104-D209 VanDerWaalsContact O-OD1 3.12Å; H105-D209 WeakPolarHBondContact CA-OD2 3.33Å; H105-D209 IonicContact CE1-OD2 3.12Å; H105-D209 IonicContact CG-OD2 2.97Å; H105-D209 IonicContact ND1-OD2 2.76Å; H105-D209 PolarHBondContact ND1-OD2 3.37Å; G106-D209 PolarHBondContact N-OD1 2.92Å; R133-D209 WeakPolarHBondContact CD-OD1 3.37Å; R133-D209 IonicContact CZ-OD1 3.51Å; R133-D209 IonicContact NE-OD1 3.12Å; R133-D209 IonicContact NH1-OD1 3.32Å; R133-D209 PolarHBondContact NH1-OD1 3.33Å; V146-D209 WeakPolarHBondContact CA-O 3.43Å; L147-D209 PolarHBondContact N-O 3.49Å; L147-D209 PolarHBondContact O-N 3.02Å; I149-D209 HydrophobicContact CD1-CB 3.86Å; L178-D209 WeakPolarHBondContact CD1-O 3.26Å; Y207-D209 HydrophobicContact CE2-CB 4.23Å
210	G	95.2	Very high	96.4	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	145.5	171.6	0	0	0	0	0	111.1	L103 I104 S145	L103-G210 CarbonylContact C-O 3.49Å; L103-G210 WeakPolarHBondContact CA-O 3.43Å; L103-G210 WeakPolarHBondContact CD2-O 3.35Å; I104-G210 PolarHBondContact N-O 2.96Å; S145-G210 CarbonylContact O-C 3.25Å; S145-G210 WeakPolarHBondContact O-CA 3.35Å
211	Q	96.5	Very high	96.7	Very high	23 Å²	23	6 Å²	6	11%	0.107	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.9	166.3	-165	-174.1	42	0	0	109.1	K102 S144 S145 L147 P333	K102-Q211 HydrophobicContact CB-CG 4.34Å; K102-Q211 CarbonylContact O-C 3.52Å; K102-Q211 VanDerWaalsContact O-CA 3.22Å; K102-Q211 WeakPolarHBondContact O-CA 3.44Å; K102-Q211 WeakPolarHBondContact O-CG 3.3Å; S144-Q211 CarbonylContact C-O 3.58Å; S144-Q211 VanDerWaalsContact CA-O 3.22Å; S144-Q211 WeakPolarHBondContact CA-O 3.28Å; S145-Q211 PolarHBondContact N-O 2.9Å; S145-Q211 PolarHBondContact O-N 2.96Å; L147-Q211 HydrophobicContact CB-CB 3.99Å; L147-Q211 HydrophobicContact CD2-CB 4.13Å; L147-Q211 HydrophobicContact CD2-CG 4.3Å; Q211-P333 PolarHBondContact NE2-O 2.74Å; Q211-P333 PolarHBondContact OE1-O 2.81Å
212	H	97.7	Very high	96.9	Very high	7 Å²	7	5.7 Å²	5.7	3%	0.032	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	164.1	176.4	73.1	142.3	0	0	0	113.7	K102 I104 L143 D214 M217 W425	K102-H212 PolarHBondContact O-CD2 3.06Å; K102-H212 PolarHBondContact O-N 3.34Å; I104-H212 HydrophobicContact CD1-CB 3.75Å; I104-H212 HydrophobicContact CG1-CB 4Å; L143-H212 CarbonylContact O-C 3.51Å; L143-H212 WeakPolarHBondContact O-CA 3.49Å; L143-H212 VanDerWaalsContact O-CB 3.24Å; L143-H212 WeakPolarHBondContact O-CB 3.36Å; H212-D214 WeakPolarHBondContact CE1-CA 3.45Å; H212-D214 PolarHBondContact O-N 2.83Å; H212-M217 HydrophobicContact CB-CE 4.06Å; H212-W425 AromaticContact CE1-CD2 3.22Å; H212-W425 AromaticContact CE1-CE2 3.37Å; H212-W425 AromaticContact CE1-CE3 3.08Å; H212-W425 AromaticContact CE1-CH2 3.6Å; H212-W425 AromaticContact CE1-CZ2 3.57Å; H212-W425 AromaticContact CE1-CZ3 3.28Å; H212-W425 WeakPolarHBondContact CE1-CZ3 3.38Å; H212-W425 AromaticContact ND1-CE3 3.69Å; H212-W425 AromaticContact ND1-CH2 3.64Å; H212-W425 AromaticContact ND1-CZ2 3.94Å; H212-W425 AromaticContact ND1-CZ3 3.4Å; H212-W425 WeakPolarHBondContact ND1-CZ3 3.25Å; H212-W425 AromaticContact NE2-CD2 3.91Å; H212-W425 AromaticContact NE2-CE3 3.82Å
213	N	97.8	Very high	97.1	Very high	15 Å²	15	5 Å²	5	8%	0.08	2%	0.023	C	C	.	.			trans	-84.1	98.5	164.1	-174.3	-29	0	0	0	109.2	L143 A215 R216 M217	L143-N213 PolarHBondContact O-N 2.92Å; N213-A215 PolarHBondContact O-N 2.81Å; N213-R216 HydrophobicContact CB-CB 4.01Å; N213-R216 VanDerWaalsContact CG-CB 3.44Å; N213-R216 PolarHBondContact O-N 3.03Å; N213-R216 WeakPolarHBondContact OD1-CB 3.46Å; N213-R216 PolarHBondContact OD1-N 2.77Å; N213-R216 VanDerWaalsContact OD1-N 3.14Å; N213-M217 WeakPolarHBondContact O-CB 3.38Å; N213-M217 PolarHBondContact O-N 2.84Å
214	D	97.8	Very high	97.1	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-60.1	-46.3	-172.2	59.6	-9.3	0	0	0	114.2	S97 R99 S100 K102 H212 N218	S97-D214 WeakPolarHBondContact O-CB 3.39Å; R99-D214 PolarHBondContact N-OD2 2.78Å; S100-D214 WeakPolarHBondContact CB-OD2 3.41Å; S100-D214 PolarHBondContact N-OD2 3.03Å; S100-D214 WeakPolarHBondContact OG-CB 3.46Å; S100-D214 PolarHBondContact OG-OD2 2.92Å; K102-D214 HydrophobicContact CD-CB 4.18Å; K102-D214 VanDerWaalsContact CD-CG 3.4Å; K102-D214 VanDerWaalsContact CD-OD1 3.28Å; K102-D214 WeakPolarHBondContact CD-OD1 3.35Å; K102-D214 WeakPolarHBondContact CD-OD2 3.36Å; K102-D214 VanDerWaalsContact CE-CG 3.47Å; K102-D214 WeakPolarHBondContact CE-OD1 3.27Å; K102-D214 WeakPolarHBondContact CE-OD2 3.49Å; K102-D214 IonicContact NZ-OD1 3.3Å; K102-D214 PolarHBondContact NZ-OD1 3.38Å; K102-D214 IonicContact NZ-OD2 2.71Å; K102-D214 PolarHBondContact NZ-OD2 2.98Å; H212-D214 WeakPolarHBondContact CE1-CA 3.45Å; H212-D214 PolarHBondContact O-N 2.83Å; D214-N218 WeakPolarHBondContact O-CB 3.5Å; D214-N218 PolarHBondContact O-N 2.81Å
215	A	98.3	Very high	97.2	Very high	1 Å²	1	5.1 Å²	5.1	1%	0.008	2%	0.024	C	C	.	.	H	α-helix	trans	-66	-45.2	177.5	0	0	0	0	0	112.4	N213 M217 N218 L219 R543 R546	N213-A215 PolarHBondContact O-N 2.81Å; A215-M217 VanDerWaalsContact C-N 3.32Å; A215-M217 PolarHBondContact O-N 2.98Å; A215-N218 WeakPolarHBondContact O-CB 3.37Å; A215-N218 PolarHBondContact O-N 3.08Å; A215-L219 PolarHBondContact O-N 2.91Å; A215-R543 HydrophobicContact CB-CB 4.21Å; A215-R543 HydrophobicContact CB-CG 4.1Å; A215-R546 VanDerWaalsContact CB-NH1 3.26Å
216	R	98.3	Very high	97.4	Very high	12 Å²	12	5 Å²	5	5%	0.045	2%	0.023	C	C	.	.	H	α-helix	trans	-68.2	-35.7	-180	-169.9	68.9	-175.4	162.7	18.1	111.7	L143 N213 L219 S220 T489 Y490 E532	L143-R216 HydrophobicContact CD1-CG 4.09Å; L143-R216 HydrophobicContact CD2-CB 3.99Å; L143-R216 HydrophobicContact CD2-CG 3.37Å; L143-R216 HydrophobicContact CG-CG 4.4Å; N213-R216 HydrophobicContact CB-CB 4.01Å; N213-R216 VanDerWaalsContact CG-CB 3.44Å; N213-R216 PolarHBondContact O-N 3.03Å; N213-R216 WeakPolarHBondContact OD1-CB 3.46Å; N213-R216 PolarHBondContact OD1-N 2.77Å; N213-R216 VanDerWaalsContact OD1-N 3.14Å; R216-L219 PolarHBondContact O-N 3.12Å; R216-S220 WeakPolarHBondContact O-CB 3.35Å; R216-S220 PolarHBondContact O-N 2.91Å; R216-T489 HydrophobicContact CG-CG2 4.27Å; R216-T489 PolarHBondContact NE-O 3.16Å; R216-Y490 VanDerWaalsContact CZ-CE1 3.48Å; R216-Y490 VanDerWaalsContact NH2-CE1 3.32Å; R216-E532 IonicContact CZ-OE1 3.75Å; R216-E532 IonicContact CZ-OE2 3.32Å; R216-E532 VanDerWaalsContact CZ-OE2 3.28Å; R216-E532 IonicContact NH1-OE1 3.95Å; R216-E532 IonicContact NH1-OE2 3.72Å; R216-E532 PolarHBondContact NH1-OE2 3.34Å; R216-E532 VanDerWaalsContact NH2-CD 3.27Å; R216-E532 IonicContact NH2-OE1 3.24Å; R216-E532 PolarHBondContact NH2-OE1 2.79Å; R216-E532 IonicContact NH2-OE2 3.54Å; R216-E532 PolarHBondContact NH2-OE2 2.94Å
217	M	98.5	Very high	97.4	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-65.9	-42.7	174.6	-170.6	72.9	81.4	0	0	111.4	L136 A140 L143 H212 N213 A215 L219 S220 L221 W425 L458	L136-M217 HydrophobicContact CD2-CE 4.27Å; L136-M217 HydrophobicContact CD2-CG 4.45Å; L136-M217 HydrophobicContact CD2-SD 4.25Å; A140-M217 HydrophobicContact CB-CE 3.65Å; A140-M217 HydrophobicContact CB-SD 3.38Å; A140-M217 WeakPolarHBondContact CB-SD 3.2Å; L143-M217 HydrophobicContact CB-CE 3.56Å; L143-M217 HydrophobicContact CB-SD 4.1Å; L143-M217 HydrophobicContact CD1-CB 4.29Å; L143-M217 HydrophobicContact CD1-SD 3.96Å; H212-M217 HydrophobicContact CB-CE 4.06Å; N213-M217 WeakPolarHBondContact O-CB 3.38Å; N213-M217 PolarHBondContact O-N 2.84Å; A215-M217 VanDerWaalsContact C-N 3.32Å; A215-M217 PolarHBondContact O-N 2.98Å; M217-L219 VanDerWaalsContact C-N 3.35Å; M217-L219 PolarHBondContact O-N 3.33Å; M217-S220 WeakPolarHBondContact O-CB 3.07Å; M217-S220 PolarHBondContact O-N 2.88Å; M217-L221 WeakPolarHBondContact O-CG 3.18Å; M217-L221 PolarHBondContact O-N 2.84Å; M217-W425 HydrophobicContact CB-CH2 3.81Å; M217-W425 HydrophobicContact CB-CZ2 3.82Å; M217-W425 HydrophobicContact CG-CH2 3.08Å; M217-W425 HydrophobicContact CG-CZ2 3.59Å; M217-W425 HydrophobicContact CG-CZ3 4.02Å; M217-L458 HydrophobicContact SD-CD1 3.93Å
218	N	98.8	Very high	97.4	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-59.2	-46	172.3	-172.1	87.3	0	0	0	111.9	G66 G67 A68 G93 D214 A215 S220 L221 I222	G66-N218 PolarHBondContact O-ND2 2.82Å; G67-N218 WeakPolarHBondContact CA-OD1 3.37Å; G67-N218 PolarHBondContact O-OD1 2.83Å; A68-N218 WeakPolarHBondContact CA-OD1 3.47Å; A68-N218 PolarHBondContact N-OD1 2.78Å; G93-N218 WeakPolarHBondContact CA-ND2 3.27Å; G93-N218 PolarHBondContact N-ND2 3.17Å; G93-N218 VanDerWaalsContact N-ND2 3.2Å; D214-N218 WeakPolarHBondContact O-CB 3.5Å; D214-N218 PolarHBondContact O-N 2.81Å; A215-N218 WeakPolarHBondContact O-CB 3.37Å; A215-N218 PolarHBondContact O-N 3.08Å; N218-S220 VanDerWaalsContact C-N 3.34Å; N218-S220 PolarHBondContact O-N 2.91Å; N218-L221 WeakPolarHBondContact O-CB 3.4Å; N218-L221 PolarHBondContact O-N 2.86Å; N218-I222 PolarHBondContact O-N 2.91Å; N218-I222 VanDerWaalsContact O-N 3.13Å
219	L	98.7	Very high	97.5	Very high	3 Å²	3	6.4 Å²	6.4	2%	0.016	4%	0.035	C	C	.	.	H	α-helix	trans	-62	-42.4	175.7	-178.5	63.4	0	0	0	111.4	F92 A215 R216 M217 L221 I222 L223 E532 R544	F92-L219 HydrophobicContact CD2-CD1 4.18Å; A215-L219 PolarHBondContact O-N 2.91Å; R216-L219 PolarHBondContact O-N 3.12Å; M217-L219 VanDerWaalsContact C-N 3.35Å; M217-L219 PolarHBondContact O-N 3.33Å; L219-L221 VanDerWaalsContact C-N 3.28Å; L219-L221 PolarHBondContact O-N 3.23Å; L219-I222 PolarHBondContact O-N 3.34Å; L219-I222 VanDerWaalsContact O-N 3.12Å; L219-L223 HydrophobicContact CD1-CD1 4.4Å; L219-L223 HydrophobicContact CD1-CD2 4.31Å; L219-L223 HydrophobicContact CD1-CG 4.08Å; L219-L223 HydrophobicContact CD2-CD1 4.49Å; L219-L223 HydrophobicContact CG-CD1 3.98Å; L219-L223 HydrophobicContact CG-CG 4.08Å; L219-L223 WeakPolarHBondContact O-CB 3.24Å; L219-L223 VanDerWaalsContact O-CG 3.28Å; L219-L223 WeakPolarHBondContact O-CG 3.45Å; L219-L223 PolarHBondContact O-N 3.23Å; L219-E532 HydrophobicContact CD2-CB 4.35Å; L219-R544 VanDerWaalsContact CD2-CD 3.48Å; L219-R544 VanDerWaalsContact CD2-NE 3.33Å
220	S	98.6	Very high	97.8	Very high	4 Å²	4	6.4 Å²	6.4	3%	0.028	4%	0.035	C	C	.	.	H	α-helix	trans	-58.2	-41.1	177	-172.8	0	0	0	0	111.4	R216 M217 N218 L223 T224 L458 E459	R216-S220 WeakPolarHBondContact O-CB 3.35Å; R216-S220 PolarHBondContact O-N 2.91Å; M217-S220 WeakPolarHBondContact O-CB 3.07Å; M217-S220 PolarHBondContact O-N 2.88Å; N218-S220 VanDerWaalsContact C-N 3.34Å; N218-S220 PolarHBondContact O-N 2.91Å; S220-L223 PolarHBondContact O-N 3.25Å; S220-T224 WeakPolarHBondContact O-CB 3.34Å; S220-T224 PolarHBondContact O-N 3.28Å; S220-T224 PolarHBondContact O-OG1 2.82Å; S220-L458 WeakPolarHBondContact OG-CB 3.45Å; S220-E459 PolarHBondContact OG-N 2.8Å; S220-E459 VanDerWaalsContact OG-N 3.17Å; S220-E459 PolarHBondContact OG-O 2.83Å
221	L	98.7	Very high	97.9	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-59.2	-48	172.6	-69.4	167.6	0	0	0	112.6	A71 L75 M217 N218 L219 T224 A225 Y428 L458	A71-L221 HydrophobicContact CB-CB 3.82Å; A71-L221 HydrophobicContact CB-CD1 4.34Å; L75-L221 HydrophobicContact CD2-CD2 3.84Å; M217-L221 WeakPolarHBondContact O-CG 3.18Å; M217-L221 PolarHBondContact O-N 2.84Å; N218-L221 WeakPolarHBondContact O-CB 3.4Å; N218-L221 PolarHBondContact O-N 2.86Å; L219-L221 VanDerWaalsContact C-N 3.28Å; L219-L221 PolarHBondContact O-N 3.23Å; L221-T224 PolarHBondContact O-N 3.24Å; L221-A225 PolarHBondContact O-N 2.93Å; L221-Y428 HydrophobicContact CD1-CD2 3.7Å; L221-Y428 HydrophobicContact CD1-CE2 3.37Å; L221-Y428 HydrophobicContact CD1-CG 4.46Å; L221-Y428 HydrophobicContact CD2-CE2 3.51Å; L221-Y428 WeakPolarHBondContact CD2-OH 3.35Å; L221-Y428 HydrophobicContact CG-CE2 4.09Å; L221-L458 HydrophobicContact CD2-CD1 3.62Å; L221-L458 HydrophobicContact CD2-CD2 3.72Å; L221-L458 HydrophobicContact CD2-CG 4.35Å; L221-L458 HydrophobicContact CG-CD1 4.06Å
222	I	98.8	Very high	98.1	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-61.6	-48.3	177.9	-67.6	-67.1	0	0	0	110.9	A71 L86 F92 N218 L219 T224 A225 I226 C232	A71-I222 HydrophobicContact CB-CD1 3.51Å; A71-I222 HydrophobicContact CB-CG1 3.8Å; L86-I222 HydrophobicContact CD1-CD1 3.93Å; L86-I222 HydrophobicContact CD2-CD1 4.17Å; F92-I222 HydrophobicContact CB-CG1 4.17Å; F92-I222 HydrophobicContact CD1-CD1 4.02Å; F92-I222 HydrophobicContact CD1-CG1 3.96Å; F92-I222 HydrophobicContact CD1-CG2 4.11Å; F92-I222 HydrophobicContact CD2-CG2 3.84Å; F92-I222 HydrophobicContact CE1-CD1 4.3Å; F92-I222 HydrophobicContact CE1-CG2 4Å; F92-I222 HydrophobicContact CE2-CG2 3.7Å; F92-I222 HydrophobicContact CG-CB 4.42Å; F92-I222 HydrophobicContact CG-CG1 4Å; F92-I222 HydrophobicContact CG-CG2 4.03Å; F92-I222 HydrophobicContact CZ-CG2 3.78Å; N218-I222 PolarHBondContact O-N 2.91Å; N218-I222 VanDerWaalsContact O-N 3.13Å; L219-I222 PolarHBondContact O-N 3.34Å; L219-I222 VanDerWaalsContact O-N 3.12Å; I222-T224 VanDerWaalsContact C-N 3.31Å; I222-T224 PolarHBondContact O-N 3.32Å; I222-A225 WeakPolarHBondContact O-CB 3.5Å; I222-A225 PolarHBondContact O-N 3.3Å; I222-A225 VanDerWaalsContact O-N 3.16Å; I222-I226 HydrophobicContact CG2-CD1 3.89Å; I222-I226 HydrophobicContact CG2-CG1 4.49Å; I222-I226 WeakPolarHBondContact O-CG1 3.41Å; I222-I226 PolarHBondContact O-N 3Å; I222-C232 HydrophobicContact CG2-CB 3.95Å
223	L	98.6	Very high	98.1	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-60.6	-43.9	178.7	-66.6	-177.6	0	0	0	110.4	L43 L219 S220 A225 I226 R227 E459 E532 Y533	L43-L223 HydrophobicContact CD1-CD2 3.72Å; L43-L223 HydrophobicContact CD2-CD2 4.47Å; L219-L223 HydrophobicContact CD1-CD1 4.4Å; L219-L223 HydrophobicContact CD1-CD2 4.31Å; L219-L223 HydrophobicContact CD1-CG 4.08Å; L219-L223 HydrophobicContact CD2-CD1 4.49Å; L219-L223 HydrophobicContact CG-CD1 3.98Å; L219-L223 HydrophobicContact CG-CG 4.08Å; L219-L223 WeakPolarHBondContact O-CB 3.24Å; L219-L223 VanDerWaalsContact O-CG 3.28Å; L219-L223 WeakPolarHBondContact O-CG 3.45Å; L219-L223 PolarHBondContact O-N 3.23Å; S220-L223 PolarHBondContact O-N 3.25Å; L223-A225 PolarHBondContact O-N 3.3Å; L223-I226 PolarHBondContact O-N 2.89Å; L223-R227 VanDerWaalsContact O-CG 3.24Å; L223-R227 WeakPolarHBondContact O-CG 3.44Å; L223-R227 PolarHBondContact O-N 3.29Å; L223-E459 HydrophobicContact CB-CB 4.06Å; L223-E459 HydrophobicContact CB-CG 4.06Å; L223-E459 HydrophobicContact CD1-CG 4.16Å; L223-E532 HydrophobicContact CD1-CB 4.38Å; L223-E532 HydrophobicContact CD1-CG 3.97Å; L223-E532 WeakPolarHBondContact CD1-OE1 3.3Å; L223-Y533 HydrophobicContact CD2-CD2 3.88Å; L223-Y533 HydrophobicContact CD2-CE2 3.61Å
224	T	97.5	Very high	98.2	Very high	2 Å²	2	5.8 Å²	5.8	1%	0.012	3%	0.031	C	C	.	.	H	α-helix	trans	-60	-44.4	174.5	-58.7	0	0	0	0	111.5	L75 S220 L221 I222 I226 R227 Y228 L456 L458 E459	L75-T224 HydrophobicContact CD1-CG2 3.72Å; L75-T224 HydrophobicContact CD2-CG2 4.28Å; S220-T224 WeakPolarHBondContact O-CB 3.34Å; S220-T224 PolarHBondContact O-N 3.28Å; S220-T224 PolarHBondContact O-OG1 2.82Å; L221-T224 PolarHBondContact O-N 3.24Å; I222-T224 VanDerWaalsContact C-N 3.31Å; I222-T224 PolarHBondContact O-N 3.32Å; T224-I226 VanDerWaalsContact C-N 3.32Å; T224-I226 PolarHBondContact O-N 2.89Å; T224-R227 WeakPolarHBondContact O-CB 3.21Å; T224-R227 PolarHBondContact O-N 3.39Å; T224-R227 VanDerWaalsContact O-N 3.14Å; T224-Y228 HydrophobicContact CG2-CD2 3.97Å; T224-Y228 HydrophobicContact CG2-CE2 3.79Å; T224-Y228 WeakPolarHBondContact O-CD2 3.36Å; T224-Y228 PolarHBondContact O-N 2.96Å; T224-Y228 VanDerWaalsContact O-N 3.14Å; T224-L456 HydrophobicContact CG2-CD2 3.65Å; T224-L458 HydrophobicContact CG2-CD2 4.29Å; T224-L458 WeakPolarHBondContact OG1-CA 3.29Å; T224-E459 PolarHBondContact OG1-N 3.27Å
225	A	98.4	Very high	98.2	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-58.4	-44	175.6	0	0	0	0	0	111.8	A74 L75 L221 I222 L223 R227 Y228 G229 A230	A74-A225 HydrophobicContact CB-CB 4.48Å; L75-A225 HydrophobicContact CB-CB 4.07Å; L75-A225 HydrophobicContact CD1-CB 4.3Å; L221-A225 PolarHBondContact O-N 2.93Å; I222-A225 WeakPolarHBondContact O-CB 3.5Å; I222-A225 PolarHBondContact O-N 3.3Å; I222-A225 VanDerWaalsContact O-N 3.16Å; L223-A225 PolarHBondContact O-N 3.3Å; A225-R227 PolarHBondContact O-N 3.28Å; A225-Y228 CarbonylContact O-C 3.55Å; A225-Y228 WeakPolarHBondContact O-CA 3.29Å; A225-Y228 WeakPolarHBondContact O-CB 3.35Å; A225-Y228 PolarHBondContact O-N 2.63Å; A225-Y228 VanDerWaalsContact O-N 3.11Å; A225-G229 PolarHBondContact O-N 3.08Å; A225-A230 HydrophobicContact CB-CB 3.93Å; A225-A230 VanDerWaalsContact O-CB 3.27Å; A225-A230 WeakPolarHBondContact O-CB 3.33Å; A225-A230 PolarHBondContact O-N 3.49Å
226	I	98.5	Very high	98.2	Very high	1 Å²	1	6 Å²	6	1%	0.005	3%	0.032	C	C	.	.	H	α-helix	trans	-63.5	-39.4	176.2	-64	167.5	0	0	0	111.3	L43 P44 I49 I222 L223 T224 Y228 G229 C232 Y533	L43-I226 HydrophobicContact CD2-CB 4.41Å; L43-I226 HydrophobicContact CD2-CG2 3.92Å; P44-I226 HydrophobicContact CG-CG2 3.79Å; I49-I226 HydrophobicContact CD1-CD1 4.41Å; I222-I226 HydrophobicContact CG2-CD1 3.89Å; I222-I226 HydrophobicContact CG2-CG1 4.49Å; I222-I226 WeakPolarHBondContact O-CG1 3.41Å; I222-I226 PolarHBondContact O-N 3Å; L223-I226 PolarHBondContact O-N 2.89Å; T224-I226 VanDerWaalsContact C-N 3.32Å; T224-I226 PolarHBondContact O-N 2.89Å; I226-Y228 PolarHBondContact O-N 2.93Å; I226-G229 WeakPolarHBondContact O-CA 3.33Å; I226-G229 PolarHBondContact O-N 3.3Å; I226-C232 HydrophobicContact CD1-CB 3.96Å; I226-C232 HydrophobicContact CG1-CB 3.79Å; I226-Y533 HydrophobicContact CD1-CD2 4.22Å; I226-Y533 HydrophobicContact CD1-CE2 3.42Å; I226-Y533 VanDerWaalsContact CD1-CE2 3.42Å
227	R	95.8	Very high	98.2	Very high	15 Å²	15	8.2 Å²	8.2	6%	0.057	4%	0.043	C	C	.	.	H	α-helix	trans	-58.7	-32.7	174.2	-66	-69.4	-175.8	-154.6	-3.7	112.4	L39 I40 E41 L43 L223 T224 A225 G229 E459	L39-R227 WeakPolarHBondContact CA-O 3.49Å; L39-R227 HydrophobicContact CD2-CB 4.13Å; I40-R227 PolarHBondContact N-O 2.99Å; I40-R227 WeakPolarHBondContact O-CD 3.39Å; I40-R227 PolarHBondContact O-NH1 3.36Å; E41-R227 PolarHBondContact O-NH1 3.21Å; L43-R227 HydrophobicContact CD2-CG 4.4Å; L43-R227 VanDerWaalsContact CG-CZ 3.47Å; L223-R227 VanDerWaalsContact O-CG 3.24Å; L223-R227 WeakPolarHBondContact O-CG 3.44Å; L223-R227 PolarHBondContact O-N 3.29Å; T224-R227 WeakPolarHBondContact O-CB 3.21Å; T224-R227 PolarHBondContact O-N 3.39Å; T224-R227 VanDerWaalsContact O-N 3.14Å; A225-R227 PolarHBondContact O-N 3.28Å; R227-G229 VanDerWaalsContact C-N 3.28Å; R227-E459 IonicContact CZ-OE1 3.03Å; R227-E459 IonicContact NE-OE1 3.49Å; R227-E459 PolarHBondContact NE-OE1 3.04Å; R227-E459 IonicContact NE-OE2 2.74Å; R227-E459 PolarHBondContact NE-OE2 2.92Å; R227-E459 IonicContact NH2-OE1 3.62Å; R227-E459 PolarHBondContact NH2-OE1 3.25Å
228	Y	95.8	Very high	98.2	Very high	30 Å²	30	8.7 Å²	8.7	12%	0.118	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-0.2	174	-78.7	-74.1	0	0	0	113.8	F35 L39 L75 Q78 T79 T224 A225 I226 L456	F35-Y228 HydrophobicContact CB-CE1 3.93Å; F35-Y228 HydrophobicContact CD1-CE1 4.23Å; F35-Y228 HydrophobicContact CG-CE1 4.42Å; L39-Y228 HydrophobicContact CD2-CD1 3.56Å; L39-Y228 HydrophobicContact CD2-CD2 3.99Å; L39-Y228 HydrophobicContact CD2-CE1 3.43Å; L39-Y228 VanDerWaalsContact CD2-CE1 3.43Å; L39-Y228 HydrophobicContact CD2-CE2 3.86Å; L39-Y228 HydrophobicContact CD2-CG 3.83Å; L39-Y228 HydrophobicContact CG-CE1 4.49Å; L75-Y228 HydrophobicContact CD1-CD2 3.95Å; L75-Y228 HydrophobicContact CD1-CE2 4.43Å; Q78-Y228 WeakPolarHBondContact CG-O 3.46Å; Q78-Y228 PolarHBondContact NE2-O 2.81Å; T79-Y228 HydrophobicContact CG2-CD1 3.94Å; T79-Y228 HydrophobicContact CG2-CD2 3.76Å; T79-Y228 HydrophobicContact CG2-CE1 4.2Å; T79-Y228 HydrophobicContact CG2-CE2 4.05Å; T79-Y228 HydrophobicContact CG2-CG 3.72Å; T224-Y228 HydrophobicContact CG2-CD2 3.97Å; T224-Y228 HydrophobicContact CG2-CE2 3.79Å; T224-Y228 WeakPolarHBondContact O-CD2 3.36Å; T224-Y228 PolarHBondContact O-N 2.96Å; T224-Y228 VanDerWaalsContact O-N 3.14Å; A225-Y228 CarbonylContact O-C 3.55Å; A225-Y228 WeakPolarHBondContact O-CA 3.29Å; A225-Y228 WeakPolarHBondContact O-CB 3.35Å; A225-Y228 PolarHBondContact O-N 2.63Å; A225-Y228 VanDerWaalsContact O-N 3.11Å; I226-Y228 PolarHBondContact O-N 2.93Å; Y228-L456 HydrophobicContact CE2-CD1 3.91Å; Y228-L456 HydrophobicContact CE2-CD2 4.08Å; Y228-L456 HydrophobicContact CE2-CG 4.36Å
229	G	96.5	Very high	98.2	Very high	21 Å²	21	10.3 Å²	10.3	22%	0.216	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.5	6.1	175.1	0	0	0	0	0	115.6	Q78 A225 I226 R227 Q231	Q78-G229 VanDerWaalsContact NE2-C 3.34Å; A225-G229 PolarHBondContact O-N 3.08Å; I226-G229 WeakPolarHBondContact O-CA 3.33Å; I226-G229 PolarHBondContact O-N 3.3Å; R227-G229 VanDerWaalsContact C-N 3.28Å; G229-Q231 PolarHBondContact O-NE2 3.48Å
230	A	98.5	Very high	98.2	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.008	8%	0.077	C	C	.	.			trans	-65.2	141.7	174.1	0	0	0	0	0	110.6	Q78 A225 C232	Q78-A230 HydrophobicContact CB-CB 3.98Å; Q78-A230 HydrophobicContact CG-CB 3.85Å; A225-A230 HydrophobicContact CB-CB 3.93Å; A225-A230 VanDerWaalsContact O-CB 3.27Å; A225-A230 WeakPolarHBondContact O-CB 3.33Å; A225-A230 PolarHBondContact O-N 3.49Å; A230-C232 PolarHBondContact O-N 2.95Å
231	Q	98.7	Very high	98.2	Very high	29 Å²	29	15 Å²	15	14%	0.136	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	80.4	177.2	-57.1	-54	-51.7	0	0	109.6	I49 S52 L53 F59 T84 A85 L86 G229	I49-Q231 HydrophobicContact CG2-CB 4.19Å; S52-Q231 VanDerWaalsContact CB-OE1 3.31Å; S52-Q231 PolarHBondContact OG-OE1 3.04Å; L53-Q231 HydrophobicContact CD2-CB 3.84Å; L53-Q231 HydrophobicContact CG-CB 4.42Å; F59-Q231 HydrophobicContact CE1-CB 4.16Å; F59-Q231 HydrophobicContact CE1-CG 3.88Å; F59-Q231 HydrophobicContact CZ-CB 4.29Å; F59-Q231 HydrophobicContact CZ-CG 4.13Å; T84-Q231 PolarHBondContact O-N 3.47Å; A85-Q231 CarbonylContact C-O 3.58Å; A85-Q231 WeakPolarHBondContact CA-O 3.31Å; L86-Q231 PolarHBondContact N-O 3.28Å; G229-Q231 PolarHBondContact O-NE2 3.48Å
232	C	98.9	Very high	98.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	124.9	-179.7	-54.7	0	0	0	0	110.7	I49 L86 F92 I222 I226 A230	I49-C232 WeakPolarHBondContact CD1-O 3.31Å; L86-C232 HydrophobicContact CB-CB 4.12Å; L86-C232 HydrophobicContact CD2-CB 4.28Å; L86-C232 CarbonylContact O-C 3.54Å; L86-C232 WeakPolarHBondContact O-CA 3.07Å; F92-C232 HydrophobicContact CE1-CB 4.38Å; F92-C232 HydrophobicContact CZ-CB 4.22Å; I222-C232 HydrophobicContact CG2-CB 3.95Å; I226-C232 HydrophobicContact CD1-CB 3.96Å; I226-C232 HydrophobicContact CG1-CB 3.79Å; A230-C232 PolarHBondContact O-N 2.95Å
233	I	98.8	Very high	98.1	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	138.1	-179.2	-163.2	162.3	0	0	0	111.9	R46 I49 M50 L53 L86 V87 E88 F92 V236	R46-I233 HydrophobicContact CG-CD1 3.88Å; R46-I233 HydrophobicContact CG-CG1 4.02Å; I49-I233 HydrophobicContact CG2-CB 3.97Å; I49-I233 HydrophobicContact CG2-CD1 4.33Å; M50-I233 HydrophobicContact CB-CD1 4.06Å; M50-I233 HydrophobicContact CE-CD1 3.63Å; M50-I233 HydrophobicContact SD-CD1 4.33Å; L53-I233 HydrophobicContact CD1-CB 4.14Å; L53-I233 HydrophobicContact CD1-CD1 4.32Å; L53-I233 HydrophobicContact CD1-CG2 3.48Å; L53-I233 VanDerWaalsContact CD1-CG2 3.48Å; L86-I233 PolarHBondContact O-N 3.24Å; V87-I233 HydrophobicContact CG1-CG2 3.89Å; E88-I233 PolarHBondContact N-O 3.32Å; F92-I233 VanDerWaalsContact CZ-C 3.5Å; I233-V236 HydrophobicContact CB-CG2 4.43Å; I233-V236 HydrophobicContact CD1-CG2 4.07Å; I233-V236 HydrophobicContact CG1-CG2 3.95Å; I233-V236 HydrophobicContact CG2-CB 3.96Å; I233-V236 HydrophobicContact CG2-CG1 4.45Å; I233-V236 HydrophobicContact CG2-CG2 3.69Å
234	N	98.7	Very high	97.7	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.11	C	C	.	.	S	Bend	trans	-99.4	165.4	173.5	66.3	-16.6	0	0	0	111.9	R46 E88 D90 D91 F92 V236 Y533	R46-N234 PolarHBondContact NE-O 3.43Å; R46-N234 PolarHBondContact NH2-O 3.46Å; E88-N234 CarbonylContact O-C 3.56Å; D90-N234 WeakPolarHBondContact O-CB 3.44Å; D91-N234 PolarHBondContact OD1-ND2 3.11Å; F92-N234 HydrophobicContact CD1-CB 4.23Å; F92-N234 HydrophobicContact CD2-CB 4.07Å; F92-N234 HydrophobicContact CE1-CB 3.96Å; F92-N234 HydrophobicContact CE2-CB 3.81Å; F92-N234 HydrophobicContact CG-CB 4.29Å; F92-N234 HydrophobicContact CZ-CB 3.77Å; N234-V236 VanDerWaalsContact C-N 3.25Å; N234-V236 PolarHBondContact O-N 3.36Å; N234-Y533 PolarHBondContact ND2-O 3.24Å
235	H	98.6	Very high	97.1	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.028	13%	0.13	C	C	.	.	S	Bend	trans	57.5	36.5	-175.7	-59.8	-75.9	0	0	0	112.6	R46 E88 D90 D260 R261 L262 D539	R46-H235 PolarHBondContact NH2-O 2.91Å; E88-H235 PolarHBondContact O-N 3.19Å; D90-H235 WeakPolarHBondContact O-CA 3.18Å; D90-H235 PolarHBondContact O-N 3.38Å; D90-H235 IonicContact OD1-CE1 3.13Å; D90-H235 PolarHBondContact OD1-CE1 3.34Å; D90-H235 IonicContact OD1-ND1 2.72Å; H235-D260 CarbonylContact O-C 3.58Å; H235-D260 WeakPolarHBondContact O-CA 3.38Å; H235-R261 PolarHBondContact O-N 2.79Å; H235-L262 HydrophobicContact CB-CD1 4.09Å; H235-L262 HydrophobicContact CB-CD2 4.04Å; H235-L262 HydrophobicContact CB-CG 3.73Å; H235-D539 IonicContact CD2-OD2 3.6Å; H235-D539 IonicContact CE1-OD1 3.93Å; H235-D539 IonicContact CE1-OD2 2.69Å; H235-D539 IonicContact NE2-OD1 3.03Å; H235-D539 IonicContact NE2-OD2 3.18Å; H235-D539 PolarHBondContact NE2-OD2 3.49Å
236	V	98.8	Very high	96.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	105.1	176.6	177	0	0	0	0	109	M50 V87 E88 M89 I233 N234 A258 R259 D260 M267	M50-V236 HydrophobicContact CE-CG2 4.14Å; V87-V236 HydrophobicContact CB-CB 4.38Å; V87-V236 HydrophobicContact CB-CG1 4.15Å; V87-V236 HydrophobicContact CG1-CB 4.42Å; V87-V236 HydrophobicContact CG1-CG1 3.91Å; E88-V236 CarbonylContact C-O 3.55Å; E88-V236 VanDerWaalsContact C-O 3.25Å; E88-V236 CarbonylContact O-C 3.58Å; E88-V236 PolarHBondContact O-N 3.22Å; E88-V236 VanDerWaalsContact O-O 3.12Å; M89-V236 PolarHBondContact N-O 3.07Å; I233-V236 HydrophobicContact CB-CG2 4.43Å; I233-V236 HydrophobicContact CD1-CG2 4.07Å; I233-V236 HydrophobicContact CG1-CG2 3.95Å; I233-V236 HydrophobicContact CG2-CB 3.96Å; I233-V236 HydrophobicContact CG2-CG1 4.45Å; I233-V236 HydrophobicContact CG2-CG2 3.69Å; N234-V236 VanDerWaalsContact C-N 3.25Å; N234-V236 PolarHBondContact O-N 3.36Å; V236-A258 HydrophobicContact CG1-CB 3.66Å; V236-R259 CarbonylContact C-O 3.55Å; V236-R259 WeakPolarHBondContact CA-O 3.5Å; V236-D260 HydrophobicContact CG2-CB 4.44Å; V236-M267 HydrophobicContact CG1-CE 3.99Å; V236-M267 HydrophobicContact CG2-CE 4.36Å
237	E	98.6	Very high	95.3	Very high	58 Å²	58	39.2 Å²	39.2	27%	0.271	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	133.2	-177.2	-178.1	175.7	-171.6	0	0	110.9	M89 L239 A258 R259 R261	M89-E237 HydrophobicContact CB-CB 4.4Å; M89-E237 HydrophobicContact CG-CB 3.88Å; M89-E237 HydrophobicContact CG-CG 3.79Å; M89-E237 HydrophobicContact SD-CG 4.12Å; E237-L239 HydrophobicContact CG-CD2 4.27Å; E237-A258 CarbonylContact O-C 3.53Å; E237-A258 WeakPolarHBondContact O-CA 3.31Å; E237-A258 WeakPolarHBondContact O-CB 3.3Å; E237-R259 PolarHBondContact N-O 2.64Å; E237-R259 PolarHBondContact O-N 2.92Å; E237-R261 HydrophobicContact CB-CG 4.12Å
238	V	98.8	Very high	94.6	Very high	11 Å²	11	40.8 Å²	40.8	7%	0.067	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	123.1	169.5	171.2	0	0	0	0	109.2	I64 V87 V256 I285	I64-V238 HydrophobicContact CD1-CG1 4.28Å; I64-V238 HydrophobicContact CD1-CG2 4.14Å; I64-V238 HydrophobicContact CG1-CG2 4.1Å; I64-V238 HydrophobicContact CG2-CB 4.2Å; I64-V238 HydrophobicContact CG2-CG2 3.73Å; V87-V238 HydrophobicContact CG2-CG2 3.56Å; V238-V256 HydrophobicContact CG1-CB 3.94Å; V238-V256 HydrophobicContact CG1-CG1 3.89Å; V238-V256 HydrophobicContact CG2-CB 4.21Å; V238-V256 HydrophobicContact CG2-CG1 4.17Å; V238-V256 HydrophobicContact CG2-CG2 4.09Å; V238-I285 HydrophobicContact CB-CD1 4.44Å; V238-I285 HydrophobicContact CG1-CD1 4.33Å
239	L	98.6	Very high	93.8	Very high	34 Å²	34	45.8 Å²	45.8	18%	0.178	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-42.3	178.7	-59.5	-177.7	0	0	0	112.3	E237 I257 R259 E266 M288	E237-L239 HydrophobicContact CG-CD2 4.27Å; L239-I257 PolarHBondContact N-O 3.39Å; L239-R259 HydrophobicContact CD1-CB 3.9Å; L239-R259 HydrophobicContact CD2-CB 4.29Å; L239-R259 HydrophobicContact CG-CB 4.09Å; L239-E266 HydrophobicContact CD1-CG 4.25Å; L239-E266 VanDerWaalsContact CD1-OE1 3.31Å; L239-E266 WeakPolarHBondContact CD1-OE1 3.04Å; L239-M288 WeakPolarHBondContact O-CE 3.49Å
240	N	98.4	Very high	93.1	Very high	91 Å²	91	50.5 Å²	50.5	49%	0.487	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	152.3	-176.7	-77.3	-44.7	0	0	0	111.2	V256 I257	N240-V256 CarbonylContact O-C 3.57Å; N240-V256 VanDerWaalsContact O-CA 3.28Å; N240-V256 WeakPolarHBondContact O-CA 3.49Å; N240-I257 HydrophobicContact CB-CB 4.37Å; N240-I257 HydrophobicContact CB-CD1 4.42Å; N240-I257 PolarHBondContact N-O 3.48Å; N240-I257 PolarHBondContact O-N 2.89Å
241	L	98.4	Very high	92.7	Very high	13 Å²	13	54.5 Å²	54.5	7%	0.068	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	145.2	166.2	-61	175.7	0	0	0	110.2	I64 Y243 V253 V256 I285 M288 D289 L417	I64-L241 HydrophobicContact CD1-CD2 4.24Å; L241-Y243 HydrophobicContact CB-CE2 4.19Å; L241-Y243 WeakPolarHBondContact CB-OH 3.09Å; L241-Y243 WeakPolarHBondContact O-CE2 3.43Å; L241-V253 HydrophobicContact CB-CG1 4.45Å; L241-V253 HydrophobicContact CD1-CG2 4.23Å; L241-V253 HydrophobicContact CD2-CG1 4.24Å; L241-V256 HydrophobicContact CD2-CG1 4.04Å; L241-I285 HydrophobicContact CD2-CG2 4.22Å; L241-M288 HydrophobicContact CD1-CB 4.06Å; L241-M288 HydrophobicContact CG-CB 4.1Å; L241-D289 HydrophobicContact CD1-CB 3.68Å; L241-L417 HydrophobicContact CD1-CD2 4.06Å
242	T	97.8	Very high	92.4	Very high	29 Å²	29	58.5 Å²	58.5	18%	0.178	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	156.5	171.9	62.2	0	0	0	0	110.7	V253 S254 G255 V256 I257	T242-V253 CarbonylContact O-C 3.53Å; T242-V253 WeakPolarHBondContact O-CA 3.23Å; T242-S254 PolarHBondContact O-N 3.09Å; T242-S254 PolarHBondContact O-OG 3.23Å; T242-G255 PolarHBondContact N-O 2.95Å; T242-G255 WeakPolarHBondContact OG1-CA 3.42Å; T242-G255 PolarHBondContact OG1-N 2.82Å; T242-G255 PolarHBondContact OG1-O 2.75Å; T242-V256 PolarHBondContact OG1-N 2.53Å; T242-I257 HydrophobicContact CG2-CD1 4.36Å; T242-I257 HydrophobicContact CG2-CG1 3.74Å
243	Y	96.7	Very high	92.4	Very high	38 Å²	38	58.8 Å²	58.8	15%	0.149	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	148.7	-173.7	-54	-87.5	0	0	0	111.1	L241 E245 L246 R251 R252 V253 S254 M288 D289	L241-Y243 HydrophobicContact CB-CE2 4.19Å; L241-Y243 WeakPolarHBondContact CB-OH 3.09Å; L241-Y243 WeakPolarHBondContact O-CE2 3.43Å; Y243-E245 VanDerWaalsContact C-N 3.35Å; Y243-L246 HydrophobicContact CD2-CD2 4.25Å; Y243-R251 HydrophobicContact CD1-CG 3.53Å; Y243-R251 HydrophobicContact CE1-CG 4.28Å; Y243-R251 VanDerWaalsContact CE1-NE 3.25Å; Y243-R251 VanDerWaalsContact CE1-NH2 3.26Å; Y243-R251 VanDerWaalsContact CE2-NH2 3.29Å; Y243-R251 HydrophobicContact CG-CG 3.94Å; Y243-R251 PolarHBondContact OH-NH2 2.84Å; Y243-R252 VanDerWaalsContact CA-O 3.23Å; Y243-R252 WeakPolarHBondContact CA-O 3.48Å; Y243-V253 HydrophobicContact CD1-CG2 4.16Å; Y243-V253 HydrophobicContact CE1-CG2 3.62Å; Y243-S254 WeakPolarHBondContact CA-OG 3.26Å; Y243-S254 PolarHBondContact N-OG 3.32Å; Y243-S254 PolarHBondContact O-OG 3.45Å; Y243-M288 PolarHBondContact OH-O 3.04Å; Y243-D289 WeakPolarHBondContact CE1-OD1 3.36Å; Y243-D289 WeakPolarHBondContact OH-CA 3.33Å; Y243-D289 PolarHBondContact OH-OD1 2.75Å
244	N	91.9	Very high	92.3	Very high	61 Å²	61	59.8 Å²	59.8	33%	0.326	31%	0.309	S	S	.	.	S	Bend	trans	-65.5	-39.3	176.4	65.5	-39.7	0	0	0	112.3	R252 S254	N244-R252 HydrophobicContact CB-CG 4.18Å; N244-R252 PolarHBondContact N-O 2.78Å; N244-R252 VanDerWaalsContact N-O 3.15Å; N244-R252 WeakPolarHBondContact ND2-CG 3.44Å; N244-R252 PolarHBondContact ND2-NE 3.11Å; N244-R252 WeakPolarHBondContact OD1-CG 3.2Å; N244-R252 PolarHBondContact OD1-N 2.92Å; N244-R252 PolarHBondContact OD1-O 3.35Å; N244-R252 VanDerWaalsContact OD1-O 3.09Å; N244-S254 PolarHBondContact N-OG 3.43Å
245	E	84.1	Confident	92.3	Very high	90 Å²	90	59.7 Å²	59.7	42%	0.421	31%	0.309	S	S	.	.	S	Bend	trans	-141.6	130.6	-177	-68.7	174.2	-161.6	0	0	108.5	Y243 T248	Y243-E245 VanDerWaalsContact C-N 3.35Å; E245-T248 HydrophobicContact CB-CG2 4.03Å; E245-T248 WeakPolarHBondContact CB-OG1 3.44Å; E245-T248 PolarHBondContact OE2-OG1 2.86Å
246	L	81.4	Confident	92.3	Very high	127 Å²	127	59.4 Å²	59.4	67%	0.665	31%	0.307	S	S	*	.	S	Bend	trans	-90.1	142.2	175.1	-66.2	171.1	0	0	0	109.6	Y243 T248	Y243-L246 HydrophobicContact CD2-CD2 4.25Å; L246-T248 PolarHBondContact O-N 3.41Å
247	N	78.4	Confident	92.3	Very high	168 Å²	168	61.1 Å²	61.1	90%	0.898	32%	0.316	S	S	*	.	S	Bend	trans	60.2	22.9	174.9	-52.9	-37.8	0	0	0	115.7
248	T	81.4	Confident	92.3	Very high	48 Å²	48	58.3 Å²	58.3	29%	0.294	30%	0.303	S	S	.	.	S	Bend	trans	-108.3	150.4	171.9	73.3	0	0	0	0	110.8	E245 L246 N250 R251	E245-T248 HydrophobicContact CB-CG2 4.03Å; E245-T248 WeakPolarHBondContact CB-OG1 3.44Å; E245-T248 PolarHBondContact OE2-OG1 2.86Å; L246-T248 PolarHBondContact O-N 3.41Å; T248-N250 PolarHBondContact O-N 3.18Å; T248-N250 VanDerWaalsContact O-N 3.14Å; T248-N250 PolarHBondContact OG1-N 3.46Å; T248-R251 VanDerWaalsContact O-CB 3.25Å; T248-R251 WeakPolarHBondContact O-CB 3.5Å; T248-R251 PolarHBondContact O-N 3.3Å; T248-R251 PolarHBondContact OG1-N 2.76Å
249	P	77.4	Confident	92.3	Very high	135 Å²	135	62.3 Å²	62.3	88%	0.877	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-14.7	171.2	24.9	-33.1	0	0	0	112.9
250	N	82.5	Confident	92.3	Very high	119 Å²	119	60.9 Å²	60.9	64%	0.636	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	10.8	175.4	-65.3	-23.4	0	0	0	113.2	T248 R252	T248-N250 PolarHBondContact O-N 3.18Å; T248-N250 VanDerWaalsContact O-N 3.14Å; T248-N250 PolarHBondContact OG1-N 3.46Å; N250-R252 PolarHBondContact O-N 3.1Å; N250-R252 VanDerWaalsContact O-N 3.15Å
251	R	89.8	Confident	92.3	Very high	86 Å²	86	61.4 Å²	61.4	33%	0.325	30%	0.304	S	S	.	.			trans	-53.2	118.4	174.4	174	-173.3	176.3	-135.5	10	109.4	Y243 T248 D289	Y243-R251 HydrophobicContact CD1-CG 3.53Å; Y243-R251 HydrophobicContact CE1-CG 4.28Å; Y243-R251 VanDerWaalsContact CE1-NE 3.25Å; Y243-R251 VanDerWaalsContact CE1-NH2 3.26Å; Y243-R251 VanDerWaalsContact CE2-NH2 3.29Å; Y243-R251 HydrophobicContact CG-CG 3.94Å; Y243-R251 PolarHBondContact OH-NH2 2.84Å; T248-R251 VanDerWaalsContact O-CB 3.25Å; T248-R251 WeakPolarHBondContact O-CB 3.5Å; T248-R251 PolarHBondContact O-N 3.3Å; T248-R251 PolarHBondContact OG1-N 2.76Å; R251-D289 IonicContact CZ-OD1 2.72Å; R251-D289 PolarHBondContact NH1-O 3.34Å; R251-D289 VanDerWaalsContact NH1-O 3.13Å; R251-D289 IonicContact NH1-OD1 3.99Å; R251-D289 PolarHBondContact NH2-O 3.25Å; R251-D289 IonicContact NH2-OD1 2.83Å
252	R	93.6	Very high	92.1	Very high	112 Å²	112	64 Å²	64	42%	0.423	32%	0.318	S	S	.	.			trans	-127.5	148.7	170.7	57.3	169.9	-178.3	169.5	4.5	110.6	Y243 N244 N250 S254 G415	Y243-R252 VanDerWaalsContact CA-O 3.23Å; Y243-R252 WeakPolarHBondContact CA-O 3.48Å; N244-R252 HydrophobicContact CB-CG 4.18Å; N244-R252 PolarHBondContact N-O 2.78Å; N244-R252 VanDerWaalsContact N-O 3.15Å; N244-R252 WeakPolarHBondContact ND2-CG 3.44Å; N244-R252 PolarHBondContact ND2-NE 3.11Å; N244-R252 WeakPolarHBondContact OD1-CG 3.2Å; N244-R252 PolarHBondContact OD1-N 2.92Å; N244-R252 PolarHBondContact OD1-O 3.35Å; N244-R252 VanDerWaalsContact OD1-O 3.09Å; N250-R252 PolarHBondContact O-N 3.1Å; N250-R252 VanDerWaalsContact O-N 3.15Å; R252-S254 PolarHBondContact O-N 3.22Å; R252-G415 CarbonylContact C-O 3.49Å; R252-G415 VanDerWaalsContact CA-O 3.29Å; R252-G415 WeakPolarHBondContact CA-O 3.31Å
253	V	97.5	Very high	92	Very high	6 Å²	6	67 Å²	67	4%	0.036	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	128	171.7	-179.6	0	0	0	0	108.7	L241 T242 Y243 V274 G415 L417	L241-V253 HydrophobicContact CB-CG1 4.45Å; L241-V253 HydrophobicContact CD1-CG2 4.23Å; L241-V253 HydrophobicContact CD2-CG1 4.24Å; T242-V253 CarbonylContact O-C 3.53Å; T242-V253 WeakPolarHBondContact O-CA 3.23Å; Y243-V253 HydrophobicContact CD1-CG2 4.16Å; Y243-V253 HydrophobicContact CE1-CG2 3.62Å; V253-V274 HydrophobicContact CG1-CB 3.83Å; V253-V274 HydrophobicContact CG1-CG1 4.41Å; V253-V274 HydrophobicContact CG1-CG2 3.56Å; V253-G415 PolarHBondContact N-O 2.59Å; V253-L417 HydrophobicContact CG2-CB 4.11Å
254	S	97.1	Very high	92	Very high	22 Å²	22	67.4 Å²	67.4	15%	0.154	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	7	-178.1	63	0	0	0	0	113.3	T242 Y243 N244 R252 R270 A271	T242-S254 PolarHBondContact O-N 3.09Å; T242-S254 PolarHBondContact O-OG 3.23Å; Y243-S254 WeakPolarHBondContact CA-OG 3.26Å; Y243-S254 PolarHBondContact N-OG 3.32Å; Y243-S254 PolarHBondContact O-OG 3.45Å; N244-S254 PolarHBondContact N-OG 3.43Å; R252-S254 PolarHBondContact O-N 3.22Å; S254-R270 WeakPolarHBondContact O-CA 3.37Å; S254-A271 CarbonylContact C-O 3.23Å; S254-A271 VanDerWaalsContact C-O 3.23Å; S254-A271 WeakPolarHBondContact CA-O 3.26Å; S254-A271 PolarHBondContact O-N 2.99Å; S254-A271 VanDerWaalsContact O-O 3.1Å
255	G	98.3	Very high	92.3	Very high	0 Å²	0	69 Å²	69	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	148.5	-158	-177.8	0	0	0	0	0	113.2	T242 I269	T242-G255 PolarHBondContact N-O 2.95Å; T242-G255 WeakPolarHBondContact OG1-CA 3.42Å; T242-G255 PolarHBondContact OG1-N 2.82Å; T242-G255 PolarHBondContact OG1-O 2.75Å; G255-I269 CarbonylContact C-O 3.49Å; G255-I269 WeakPolarHBondContact CA-O 3.36Å
256	V	98.8	Very high	92.9	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	157.9	-178.1	-56.3	0	0	0	0	112.3	L62 I64 V238 N240 L241 T242 A258 H268 I269	L62-V256 HydrophobicContact CD2-CB 4.23Å; L62-V256 HydrophobicContact CD2-CG1 3.74Å; L62-V256 HydrophobicContact CD2-CG2 3.59Å; I64-V256 HydrophobicContact CD1-CG1 3.85Å; I64-V256 HydrophobicContact CG1-CG1 4.49Å; V238-V256 HydrophobicContact CG1-CB 3.94Å; V238-V256 HydrophobicContact CG1-CG1 3.89Å; V238-V256 HydrophobicContact CG2-CB 4.21Å; V238-V256 HydrophobicContact CG2-CG1 4.17Å; V238-V256 HydrophobicContact CG2-CG2 4.09Å; N240-V256 CarbonylContact O-C 3.57Å; N240-V256 VanDerWaalsContact O-CA 3.28Å; N240-V256 WeakPolarHBondContact O-CA 3.49Å; L241-V256 HydrophobicContact CD2-CG1 4.04Å; T242-V256 PolarHBondContact OG1-N 2.53Å; V256-A258 HydrophobicContact CG2-CB 4.22Å; V256-H268 WeakPolarHBondContact O-CA 3.25Å; V256-I269 HydrophobicContact CG2-CB 4.07Å; V256-I269 HydrophobicContact CG2-CD1 4.42Å; V256-I269 PolarHBondContact N-O 2.9Å; V256-I269 PolarHBondContact O-N 3.38Å
257	I	98.7	Very high	93.7	Very high	35 Å²	35	63.8 Å²	63.8	18%	0.179	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126	156.1	-57.4	176.5	0	0	0	106.6	L239 N240 T242 M267	L239-I257 PolarHBondContact N-O 3.39Å; N240-I257 HydrophobicContact CB-CB 4.37Å; N240-I257 HydrophobicContact CB-CD1 4.42Å; N240-I257 PolarHBondContact N-O 3.48Å; N240-I257 PolarHBondContact O-N 2.89Å; T242-I257 HydrophobicContact CG2-CD1 4.36Å; T242-I257 HydrophobicContact CG2-CG1 3.74Å; I257-M267 WeakPolarHBondContact CA-O 3.49Å
258	A	98.6	Very high	94.6	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	153	-178.9	0	0	0	0	0	111.7	V236 E237 V256 E266 M267 I269	V236-A258 HydrophobicContact CG1-CB 3.66Å; E237-A258 CarbonylContact O-C 3.53Å; E237-A258 WeakPolarHBondContact O-CA 3.31Å; E237-A258 WeakPolarHBondContact O-CB 3.3Å; V256-A258 HydrophobicContact CG2-CB 4.22Å; A258-E266 CarbonylContact O-C 3.46Å; A258-E266 VanDerWaalsContact O-CA 3.25Å; A258-E266 WeakPolarHBondContact O-CA 3.47Å; A258-M267 HydrophobicContact CB-CG 4.37Å; A258-M267 PolarHBondContact N-O 3Å; A258-M267 PolarHBondContact O-N 3.24Å; A258-I269 HydrophobicContact CB-CD1 4.43Å
259	R	98.7	Very high	95.4	Very high	94 Å²	94	59.7 Å²	59.7	36%	0.355	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.1	179.8	-174.1	-173.6	-66.3	155.2	-1.2	110.7	V236 E237 L239 R261 Q265 E266	V236-R259 CarbonylContact C-O 3.55Å; V236-R259 WeakPolarHBondContact CA-O 3.5Å; E237-R259 PolarHBondContact N-O 2.64Å; E237-R259 PolarHBondContact O-N 2.92Å; L239-R259 HydrophobicContact CD1-CB 3.9Å; L239-R259 HydrophobicContact CD2-CB 4.29Å; L239-R259 HydrophobicContact CG-CB 4.09Å; R259-R261 PolarHBondContact O-N 2.78Å; R259-Q265 WeakPolarHBondContact CA-O 3.48Å; R259-E266 HydrophobicContact CB-CG 4.05Å; R259-E266 HydrophobicContact CG-CG 4.01Å; R259-E266 IonicContact CZ-OE1 2.82Å; R259-E266 IonicContact NE-OE1 2.75Å; R259-E266 PolarHBondContact NE-OE1 3.32Å; R259-E266 IonicContact NH2-OE1 3.49Å; R259-E266 PolarHBondContact NH2-OE1 3.35Å
260	D	98.6	Very high	96.4	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	112.3	167.2	-179.2	-1.2	0	0	0	109.7	R46 M50 H235 V236 L262 T263 G264 Q265 M267	R46-D260 IonicContact CZ-OD1 2.98Å; R46-D260 IonicContact CZ-OD2 3.37Å; R46-D260 IonicContact NH1-OD1 3.71Å; R46-D260 PolarHBondContact NH1-OD1 2.9Å; R46-D260 IonicContact NH1-OD2 2.63Å; R46-D260 PolarHBondContact NH1-OD2 3.19Å; R46-D260 VanDerWaalsContact NH2-CG 3.26Å; R46-D260 IonicContact NH2-OD1 2.75Å; R46-D260 PolarHBondContact NH2-OD1 3.15Å; R46-D260 IonicContact NH2-OD2 3.23Å; R46-D260 PolarHBondContact NH2-OD2 3.27Å; M50-D260 HydrophobicContact CE-CB 3.84Å; M50-D260 WeakPolarHBondContact CE-OD2 3.49Å; H235-D260 CarbonylContact O-C 3.58Å; H235-D260 WeakPolarHBondContact O-CA 3.38Å; V236-D260 HydrophobicContact CG2-CB 4.44Å; D260-L262 PolarHBondContact O-N 3.22Å; D260-L262 WeakPolarHBondContact OD1-CB 3.35Å; D260-L262 PolarHBondContact OD1-N 3.41Å; D260-T263 WeakPolarHBondContact CB-OG1 3.32Å; D260-T263 PolarHBondContact O-N 2.94Å; D260-T263 WeakPolarHBondContact OD2-CG2 3.4Å; D260-T263 PolarHBondContact OD2-OG1 2.8Å; D260-G264 VanDerWaalsContact O-CA 3.27Å; D260-G264 WeakPolarHBondContact O-CA 3.34Å; D260-G264 PolarHBondContact O-N 2.83Å; D260-Q265 PolarHBondContact N-O 3.16Å; D260-M267 HydrophobicContact CB-CE 4.32Å
261	R	97.8	Very high	97.2	Very high	103 Å²	103	52.6 Å²	52.6	39%	0.389	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-16.1	-179	-64.5	179.4	80.7	-168.8	5.3	113.3	M89 H235 E237 R259	M89-R261 WeakPolarHBondContact O-CD 3.01Å; M89-R261 PolarHBondContact O-NH1 2.85Å; M89-R261 VanDerWaalsContact O-NH1 3.14Å; H235-R261 PolarHBondContact O-N 2.79Å; E237-R261 HydrophobicContact CB-CG 4.12Å; R259-R261 PolarHBondContact O-N 2.78Å
262	L	96.1	Very high	97.6	Very high	67 Å²	67	52.6 Å²	52.6	35%	0.351	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-30.9	177	-55.4	-179.1	0	0	0	112.3	H235 D260 C535	H235-L262 HydrophobicContact CB-CD1 4.09Å; H235-L262 HydrophobicContact CB-CD2 4.04Å; H235-L262 HydrophobicContact CB-CG 3.73Å; D260-L262 PolarHBondContact O-N 3.22Å; D260-L262 WeakPolarHBondContact OD1-CB 3.35Å; D260-L262 PolarHBondContact OD1-N 3.41Å; L262-C535 HydrophobicContact CD1-CB 3.56Å; L262-C535 HydrophobicContact CD2-CB 4.38Å
263	T	94.7	Very high	97.8	Very high	91 Å²	91	47.3 Å²	47.3	56%	0.558	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.3	-14.3	-173.6	62.9	0	0	0	0	113.9	D260 Q265	D260-T263 WeakPolarHBondContact CB-OG1 3.32Å; D260-T263 PolarHBondContact O-N 2.94Å; D260-T263 WeakPolarHBondContact OD2-CG2 3.4Å; D260-T263 PolarHBondContact OD2-OG1 2.8Å; T263-Q265 PolarHBondContact O-N 3.23Å; T263-Q265 WeakPolarHBondContact OG1-CB 3.45Å; T263-Q265 PolarHBondContact OG1-N 2.94Å
264	G	96.7	Very high	97.9	Very high	48 Å²	48	47.1 Å²	47.1	50%	0.495	23%	0.23	S	C	.	.			trans	75.9	-1.8	-171.8	0	0	0	0	0	114.1	D260 E266	D260-G264 VanDerWaalsContact O-CA 3.27Å; D260-G264 WeakPolarHBondContact O-CA 3.34Å; D260-G264 PolarHBondContact O-N 2.83Å; G264-E266 PolarHBondContact O-N 2.94Å
265	Q	97.3	Very high	98	Very high	94 Å²	94	46 Å²	46	44%	0.439	22%	0.223	S	C	.	.			trans	-73.3	128.1	-175.3	-176.4	172.7	30.1	0	0	111.8	R259 D260 T263	R259-Q265 WeakPolarHBondContact CA-O 3.48Å; D260-Q265 PolarHBondContact N-O 3.16Å; T263-Q265 PolarHBondContact O-N 3.23Å; T263-Q265 WeakPolarHBondContact OG1-CB 3.45Å; T263-Q265 PolarHBondContact OG1-N 2.94Å
266	E	98.2	Very high	98	Very high	99 Å²	99	46 Å²	46	46%	0.463	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	151.3	171.8	-62	-172.6	178.4	0	0	112	L239 A258 R259 G264	L239-E266 HydrophobicContact CD1-CG 4.25Å; L239-E266 VanDerWaalsContact CD1-OE1 3.31Å; L239-E266 WeakPolarHBondContact CD1-OE1 3.04Å; A258-E266 CarbonylContact O-C 3.46Å; A258-E266 VanDerWaalsContact O-CA 3.25Å; A258-E266 WeakPolarHBondContact O-CA 3.47Å; R259-E266 HydrophobicContact CB-CG 4.05Å; R259-E266 HydrophobicContact CG-CG 4.01Å; R259-E266 IonicContact CZ-OE1 2.82Å; R259-E266 IonicContact NE-OE1 2.75Å; R259-E266 PolarHBondContact NE-OE1 3.32Å; R259-E266 IonicContact NH2-OE1 3.49Å; R259-E266 PolarHBondContact NH2-OE1 3.35Å; G264-E266 PolarHBondContact O-N 2.94Å
267	M	97.3	Very high	98	Very high	8 Å²	8	46.3 Å²	46.3	4%	0.039	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	152.8	179.4	75.4	-164.9	87.5	0	0	111.3	M50 K54 V236 I257 A258 D260 I269	M50-M267 HydrophobicContact CE-CE 3.62Å; M50-M267 HydrophobicContact SD-CE 3.28Å; M50-M267 WeakPolarHBondContact SD-CE 3.37Å; M50-M267 HydrophobicContact SD-SD 3.56Å; K54-M267 HydrophobicContact CG-CB 4.43Å; V236-M267 HydrophobicContact CG1-CE 3.99Å; V236-M267 HydrophobicContact CG2-CE 4.36Å; I257-M267 WeakPolarHBondContact CA-O 3.49Å; A258-M267 HydrophobicContact CB-CG 4.37Å; A258-M267 PolarHBondContact N-O 3Å; A258-M267 PolarHBondContact O-N 3.24Å; D260-M267 HydrophobicContact CB-CE 4.32Å; M267-I269 HydrophobicContact CG-CD1 4.21Å; M267-I269 HydrophobicContact CG-CG1 3.96Å; M267-I269 HydrophobicContact SD-CD1 4.07Å; M267-I269 HydrophobicContact SD-CG1 4.27Å
268	H	98.1	Very high	98	Very high	129 Å²	129	46 Å²	46	60%	0.597	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	125.5	172.7	-67.4	-113.2	0	0	0	108.7	V256	V256-H268 WeakPolarHBondContact O-CA 3.25Å
269	I	98.6	Very high	97.8	Very high	1 Å²	1	47 Å²	47	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	116.1	177	-53	171.9	0	0	0	107.5	L53 F59 L62 V87 G255 V256 A258 M267	L53-I269 HydrophobicContact CB-CD1 4.5Å; L53-I269 HydrophobicContact CD1-CD1 4.26Å; L53-I269 HydrophobicContact CD2-CD1 4.41Å; F59-I269 HydrophobicContact CD2-CG2 3.93Å; F59-I269 HydrophobicContact CE2-CG2 4.06Å; L62-I269 HydrophobicContact CD1-CG2 4.15Å; L62-I269 HydrophobicContact CD2-CB 4.32Å; L62-I269 HydrophobicContact CD2-CG2 4.1Å; V87-I269 HydrophobicContact CG1-CD1 3.68Å; G255-I269 CarbonylContact C-O 3.49Å; G255-I269 WeakPolarHBondContact CA-O 3.36Å; V256-I269 HydrophobicContact CG2-CB 4.07Å; V256-I269 HydrophobicContact CG2-CD1 4.42Å; V256-I269 PolarHBondContact N-O 2.9Å; V256-I269 PolarHBondContact O-N 3.38Å; A258-I269 HydrophobicContact CB-CD1 4.43Å; M267-I269 HydrophobicContact CG-CD1 4.21Å; M267-I269 HydrophobicContact CG-CG1 3.96Å; M267-I269 HydrophobicContact SD-CD1 4.07Å; M267-I269 HydrophobicContact SD-CG1 4.27Å
270	R	98.4	Very high	97.6	Very high	105 Å²	105	42.9 Å²	42.9	40%	0.396	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	141	179.9	-67.6	-166.5	-70.6	129.2	-16.7	111.7	E57 E58 F59 S254	E57-R270 PolarHBondContact O-NE 3.22Å; E57-R270 PolarHBondContact O-NH1 2.96Å; E57-R270 PolarHBondContact O-NH2 3.1Å; E57-R270 IonicContact OE1-NH2 3.66Å; E58-R270 HydrophobicContact CG-CB 4.45Å; E58-R270 IonicContact OE2-NH1 3.86Å; F59-R270 PolarHBondContact N-O 3.16Å; S254-R270 WeakPolarHBondContact O-CA 3.37Å
271	A	98.6	Very high	97.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	149.9	175.4	0	0	0	0	0	112.8	F59 L62 S254 C273 V274	F59-A271 HydrophobicContact CB-CB 4.09Å; F59-A271 CarbonylContact O-C 3.51Å; F59-A271 WeakPolarHBondContact O-CA 3.3Å; L62-A271 HydrophobicContact CB-CB 3.49Å; L62-A271 VanDerWaalsContact CB-CB 3.49Å; S254-A271 CarbonylContact C-O 3.23Å; S254-A271 VanDerWaalsContact C-O 3.23Å; S254-A271 WeakPolarHBondContact CA-O 3.26Å; S254-A271 PolarHBondContact O-N 2.99Å; S254-A271 VanDerWaalsContact O-O 3.1Å; A271-C273 VanDerWaalsContact C-N 3.32Å; A271-V274 HydrophobicContact CB-CG2 4.43Å
272	K	98.1	Very high	97.4	Very high	87 Å²	87	40.2 Å²	40.2	38%	0.378	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	-31.9	173.5	-61.8	175.5	-171.9	162	0	112.7	E58 F59 D60 C443 L445	E58-K272 HydrophobicContact CG-CG 4.15Å; E58-K272 WeakPolarHBondContact OE1-CE 3.47Å; E58-K272 WeakPolarHBondContact OE1-CG 3.11Å; F59-K272 PolarHBondContact O-N 3.29Å; D60-K272 WeakPolarHBondContact OD1-CE 3.34Å; D60-K272 IonicContact OD1-NZ 3.81Å; D60-K272 PolarHBondContact OD1-NZ 3.39Å; K272-C443 PolarHBondContact O-SG 2.83Å; K272-L445 HydrophobicContact CB-CD2 3.84Å; K272-L445 HydrophobicContact CD-CD2 4.13Å
273	C	98.6	Very high	97.4	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.007	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	132.3	179.1	-175.5	0	0	0	0	109.8	D60 V61 L62 A271 C443 L445	D60-C273 WeakPolarHBondContact O-CB 3.39Å; D60-C273 PolarHBondContact O-N 3.07Å; D60-C273 VanDerWaalsContact O-N 3.15Å; V61-C273 WeakPolarHBondContact CA-O 3.48Å; L62-C273 PolarHBondContact N-O 3.01Å; A271-C273 VanDerWaalsContact C-N 3.32Å; C273-C443 HydrophobicContact CB-CB 3.82Å; C273-C443 VanDerWaalsContact CB-SG 3.59Å; C273-C443 VanDerWaalsContact SG-SG 3.63Å; C273-L445 HydrophobicContact CB-CD1 4.09Å
274	V	98.8	Very high	97.5	Very high	1 Å²	1	37 Å²	37	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126	172.6	-179.4	0	0	0	0	109.1	L62 I64 V253 A271 L417 I418	L62-V274 HydrophobicContact CB-CG2 4.41Å; L62-V274 HydrophobicContact CD2-CG2 4.36Å; L62-V274 CarbonylContact O-C 3.51Å; L62-V274 WeakPolarHBondContact O-CA 3.31Å; I64-V274 HydrophobicContact CD1-CG1 3.63Å; I64-V274 HydrophobicContact CG1-CG1 4.09Å; V253-V274 HydrophobicContact CG1-CB 3.83Å; V253-V274 HydrophobicContact CG1-CG1 4.41Å; V253-V274 HydrophobicContact CG1-CG2 3.56Å; A271-V274 HydrophobicContact CB-CG2 4.43Å; V274-L417 HydrophobicContact CB-CD1 4.09Å; V274-L417 HydrophobicContact CG1-CD1 3.79Å; V274-I418 PolarHBondContact O-N 2.87Å; V274-I418 VanDerWaalsContact O-N 3.17Å
275	V	98.9	Very high	97.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	116.5	177.9	-179.3	0	0	0	0	109.1	V61 L62 V63 I64 V73 I418 I420 T435	V61-V275 HydrophobicContact CG1-CG2 4.07Å; L62-V275 PolarHBondContact O-N 2.93Å; V63-V275 CarbonylContact C-O 3.55Å; V63-V275 WeakPolarHBondContact CA-O 3.49Å; I64-V275 PolarHBondContact N-O 2.98Å; V73-V275 HydrophobicContact CG1-CG1 4.24Å; V73-V275 HydrophobicContact CG1-CG2 4.46Å; V275-I418 CarbonylContact C-O 3.35Å; V275-I418 WeakPolarHBondContact CA-O 3.45Å; V275-I418 HydrophobicContact CG2-CB 4.42Å; V275-I420 HydrophobicContact CG1-CG2 4.26Å; V275-T435 HydrophobicContact CG1-CG2 3.58Å; V275-T435 HydrophobicContact CG2-CG2 4.44Å
276	N	98.8	Very high	97.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	108.8	171.1	174.6	22.9	0	0	0	110	T278 C282 I285 L417 I418 T419 I420	N276-T278 WeakPolarHBondContact OD1-CG2 3.39Å; N276-T278 PolarHBondContact OD1-N 3.27Å; N276-T278 PolarHBondContact OD1-OG1 3.29Å; N276-C282 PolarHBondContact ND2-O 2.98Å; N276-I285 HydrophobicContact CB-CB 4.43Å; N276-I285 HydrophobicContact CB-CG2 4.05Å; N276-L417 HydrophobicContact CB-CD1 4.33Å; N276-I418 PolarHBondContact N-O 3.24Å; N276-T419 HydrophobicContact CB-CG2 4.25Å; N276-T419 VanDerWaalsContact ND2-CG2 3.32Å; N276-T419 WeakPolarHBondContact ND2-CG2 3.49Å; N276-T419 PolarHBondContact ND2-OG1 2.99Å; N276-T419 WeakPolarHBondContact O-CA 3.44Å; N276-I420 WeakPolarHBondContact O-CG2 3.37Å; N276-I420 PolarHBondContact O-N 3.41Å
277	A	98.6	Very high	97.5	Very high	6 Å²	6	29.1 Å²	29.1	5%	0.05	15%	0.148	C	C	.	.			trans	-125.3	35.4	-179.5	0	0	0	0	0	111.9	V63 I64 T69 G279 I420	V63-A277 HydrophobicContact CG1-CB 4.11Å; I64-A277 CarbonylContact O-C 3.53Å; I64-A277 VanDerWaalsContact O-C 3.3Å; I64-A277 WeakPolarHBondContact O-CA 3.26Å; I64-A277 PolarHBondContact O-N 3Å; T69-A277 HydrophobicContact CG2-CB 4.33Å; A277-G279 VanDerWaalsContact C-N 3.25Å; A277-G279 PolarHBondContact O-N 2.9Å; A277-I420 HydrophobicContact CB-CG2 3.72Å
278	T	98.1	Very high	97.5	Very high	28 Å²	28	31.3 Å²	31.3	17%	0.172	16%	0.159	C	C	.	.			trans	-84.4	14	-172.5	60.2	0	0	0	0	114.7	I64 N276 A280 F281 C282 I285	I64-T278 HydrophobicContact CB-CG2 4.22Å; I64-T278 HydrophobicContact CG2-CG2 3.63Å; I64-T278 WeakPolarHBondContact O-CG2 3.27Å; I64-T278 PolarHBondContact O-N 3.12Å; N276-T278 WeakPolarHBondContact OD1-CG2 3.39Å; N276-T278 PolarHBondContact OD1-N 3.27Å; N276-T278 PolarHBondContact OD1-OG1 3.29Å; T278-A280 PolarHBondContact O-N 2.93Å; T278-F281 PolarHBondContact O-N 3.07Å; T278-F281 PolarHBondContact OG1-O 3.37Å; T278-C282 WeakPolarHBondContact OG1-CA 3.33Å; T278-C282 PolarHBondContact OG1-N 3.19Å; T278-C282 VanDerWaalsContact OG1-N 3.14Å; T278-I285 HydrophobicContact CG2-CG1 3.99Å
279	G	95.4	Very high	97.3	Very high	22 Å²	22	25.6 Å²	25.6	23%	0.227	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	60.2	-119.5	173.1	0	0	0	0	0	112.4	A277 F281 C282	A277-G279 VanDerWaalsContact C-N 3.25Å; A277-G279 PolarHBondContact O-N 2.9Å; G279-F281 PolarHBondContact O-N 2.93Å; G279-C282 WeakPolarHBondContact O-CB 3.1Å; G279-C282 PolarHBondContact O-N 3.48Å; G279-C282 VanDerWaalsContact O-N 3.16Å
280	A	94.4	Very high	97.1	Very high	6 Å²	6	29 Å²	29	5%	0.05	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-65.3	-17.1	179.5	0	0	0	0	0	113.3	T278 I349 L389 P391	T278-A280 PolarHBondContact O-N 2.93Å; A280-I349 HydrophobicContact CB-CD1 3.51Å; A280-I349 VanDerWaalsContact O-CD1 3.29Å; A280-I349 WeakPolarHBondContact O-CD1 3.49Å; A280-L389 HydrophobicContact CB-CB 4.13Å; A280-P391 HydrophobicContact CB-CB 4.34Å
281	F	96.8	Very high	96.9	Very high	51 Å²	51	29 Å²	29	22%	0.224	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-95.1	13	177.6	-60.5	-92.1	0	0	0	113	T278 G279 D283 T284 I349 T350 D351	T278-F281 PolarHBondContact O-N 3.07Å; T278-F281 PolarHBondContact OG1-O 3.37Å; G279-F281 PolarHBondContact O-N 2.93Å; F281-D283 PolarHBondContact O-N 2.98Å; F281-T284 WeakPolarHBondContact O-CB 3.47Å; F281-T284 PolarHBondContact O-N 3.29Å; F281-T284 VanDerWaalsContact O-N 3.08Å; F281-T284 PolarHBondContact O-OG1 3.38Å; F281-I349 HydrophobicContact CD1-CD1 3.9Å; F281-I349 HydrophobicContact CD1-CG1 3.56Å; F281-I349 HydrophobicContact CD2-CD1 4.08Å; F281-I349 HydrophobicContact CE1-CD1 3.8Å; F281-I349 HydrophobicContact CE1-CG1 3.52Å; F281-I349 HydrophobicContact CE2-CD1 3.98Å; F281-I349 HydrophobicContact CG-CD1 4.04Å; F281-I349 HydrophobicContact CG-CG1 4.15Å; F281-I349 HydrophobicContact CZ-CD1 3.83Å; F281-I349 HydrophobicContact CZ-CG1 4.06Å; F281-T350 WeakPolarHBondContact CZ-O 3.33Å; F281-D351 HydrophobicContact CE1-CB 4.5Å; F281-D351 HydrophobicContact CZ-CB 4.15Å
282	C	95.5	Very high	96.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-56.6	-38.8	-175.1	69	0	0	0	0	112.2	N276 T278 G279 T284 I285 R286 V297 T419	N276-C282 PolarHBondContact ND2-O 2.98Å; T278-C282 WeakPolarHBondContact OG1-CA 3.33Å; T278-C282 PolarHBondContact OG1-N 3.19Å; T278-C282 VanDerWaalsContact OG1-N 3.14Å; G279-C282 WeakPolarHBondContact O-CB 3.1Å; G279-C282 PolarHBondContact O-N 3.48Å; G279-C282 VanDerWaalsContact O-N 3.16Å; C282-T284 VanDerWaalsContact C-N 3.32Å; C282-T284 PolarHBondContact O-N 3.01Å; C282-I285 PolarHBondContact O-N 3.31Å; C282-R286 WeakPolarHBondContact O-CG 3.12Å; C282-R286 PolarHBondContact O-N 3.1Å; C282-R286 VanDerWaalsContact O-N 3.1Å; C282-V297 WeakPolarHBondContact SG-CG2 3.28Å; C282-T419 HydrophobicContact CB-CG2 3.97Å
283	D	96.1	Very high	96.4	Very high	17 Å²	17	35.2 Å²	35.2	9%	0.091	19%	0.194	C	C	.	.	H	α-helix	trans	-68.9	-29.3	-178.6	-71.8	-43.2	0	0	0	112.8	F281 I285 R286 V287 L295 L296 V297	F281-D283 PolarHBondContact O-N 2.98Å; D283-I285 PolarHBondContact O-N 3.42Å; D283-R286 PolarHBondContact O-N 3.4Å; D283-R286 IonicContact OD1-CZ 2.75Å; D283-R286 IonicContact OD1-NE 3.48Å; D283-R286 IonicContact OD1-NH1 3.19Å; D283-R286 PolarHBondContact OD1-NH1 2.97Å; D283-V287 WeakPolarHBondContact O-CB 3.22Å; D283-V287 VanDerWaalsContact O-CG2 3.23Å; D283-V287 WeakPolarHBondContact O-CG2 3.02Å; D283-V287 PolarHBondContact O-N 3.05Å; D283-L295 HydrophobicContact CB-CD2 3.74Å; D283-L296 VanDerWaalsContact CG-N 3.31Å; D283-L296 WeakPolarHBondContact OD1-CB 3.44Å; D283-L296 PolarHBondContact OD1-N 3.41Å; D283-L296 PolarHBondContact OD2-N 3.25Å; D283-V297 PolarHBondContact OD2-N 2.9Å
284	T	96.3	Very high	96	Very high	73 Å²	73	39.9 Å²	39.9	45%	0.448	22%	0.224	S	C	.	.	H	α-helix	trans	-56.3	-37.8	174	-53.1	0	0	0	0	111.5	F281 C282 M288	F281-T284 WeakPolarHBondContact O-CB 3.47Å; F281-T284 PolarHBondContact O-N 3.29Å; F281-T284 VanDerWaalsContact O-N 3.08Å; F281-T284 PolarHBondContact O-OG1 3.38Å; C282-T284 VanDerWaalsContact C-N 3.32Å; C282-T284 PolarHBondContact O-N 3.01Å; T284-M288 HydrophobicContact CG2-CE 4.34Å; T284-M288 WeakPolarHBondContact O-CG 3.32Å
285	I	98.1	Very high	95.6	Very high	9 Å²	9	44.2 Å²	44.2	5%	0.046	25%	0.247	C	C	.	.	H	α-helix	trans	-84.3	-37.4	177.6	-54.4	-58.5	0	0	0	111.5	I64 V238 L241 N276 T278 C282 D283 V287 M288 L417	I64-I285 HydrophobicContact CD1-CG2 4.01Å; I64-I285 HydrophobicContact CG2-CD1 4.19Å; I64-I285 HydrophobicContact CG2-CG1 4.33Å; V238-I285 HydrophobicContact CB-CD1 4.44Å; V238-I285 HydrophobicContact CG1-CD1 4.33Å; L241-I285 HydrophobicContact CD2-CG2 4.22Å; N276-I285 HydrophobicContact CB-CB 4.43Å; N276-I285 HydrophobicContact CB-CG2 4.05Å; T278-I285 HydrophobicContact CG2-CG1 3.99Å; C282-I285 PolarHBondContact O-N 3.31Å; D283-I285 PolarHBondContact O-N 3.42Å; I285-V287 VanDerWaalsContact C-N 3.33Å; I285-V287 PolarHBondContact O-N 3.32Å; I285-M288 HydrophobicContact CD1-CE 4.06Å; I285-M288 HydrophobicContact CD1-SD 3.94Å; I285-M288 WeakPolarHBondContact O-CB 3.44Å; I285-M288 PolarHBondContact O-N 3.36Å; I285-M288 VanDerWaalsContact O-N 3.16Å; I285-L417 HydrophobicContact CG2-CD2 4.21Å
286	R	97.3	Very high	95.2	Very high	12 Å²	12	44.9 Å²	44.9	5%	0.045	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-41.6	178.9	-68.4	172.4	73.6	-111	1	111.8	C282 D283 M288 D289 D290 V293 P294 E411 T419	C282-R286 WeakPolarHBondContact O-CG 3.12Å; C282-R286 PolarHBondContact O-N 3.1Å; C282-R286 VanDerWaalsContact O-N 3.1Å; D283-R286 PolarHBondContact O-N 3.4Å; D283-R286 IonicContact OD1-CZ 2.75Å; D283-R286 IonicContact OD1-NE 3.48Å; D283-R286 IonicContact OD1-NH1 3.19Å; D283-R286 PolarHBondContact OD1-NH1 2.97Å; R286-M288 PolarHBondContact O-N 3.48Å; R286-D289 PolarHBondContact O-N 3.29Å; R286-D290 PolarHBondContact O-N 3.04Å; R286-D290 VanDerWaalsContact O-N 3.12Å; R286-V293 HydrophobicContact CB-CG1 4.03Å; R286-P294 PolarHBondContact NH1-O 3.44Å; R286-P294 PolarHBondContact NH2-O 3.3Å; R286-E411 IonicContact CZ-OE1 2.9Å; R286-E411 IonicContact CZ-OE2 3.69Å; R286-E411 IonicContact NE-OE1 3.89Å; R286-E411 IonicContact NE-OE2 3.65Å; R286-E411 PolarHBondContact NE-OE2 3.41Å; R286-E411 IonicContact NH2-OE1 3.91Å; R286-E411 PolarHBondContact NH2-OE1 3.47Å; R286-E411 IonicContact NH2-OE2 3.81Å; R286-E411 PolarHBondContact NH2-OE2 2.91Å; R286-T419 HydrophobicContact CG-CG2 4.15Å
287	V	97	Very high	94.8	Very high	55 Å²	55	45.3 Å²	45.3	33%	0.333	25%	0.253	S	S	.	.	H	α-helix	trans	-66.5	-23.7	178.7	173.7	0	0	0	0	112	D283 I285 D289 D290 P291 V293 L295	D283-V287 WeakPolarHBondContact O-CB 3.22Å; D283-V287 VanDerWaalsContact O-CG2 3.23Å; D283-V287 WeakPolarHBondContact O-CG2 3.02Å; D283-V287 PolarHBondContact O-N 3.05Å; I285-V287 VanDerWaalsContact C-N 3.33Å; I285-V287 PolarHBondContact O-N 3.32Å; V287-D289 VanDerWaalsContact C-N 3.3Å; V287-D290 CarbonylContact O-C 3.59Å; V287-P291 WeakPolarHBondContact O-CA 3.05Å; V287-V293 HydrophobicContact CG2-CG1 4.14Å; V287-L295 HydrophobicContact CG2-CD2 4.4Å
288	M	96.4	Very high	94.3	Very high	55 Å²	55	46.9 Å²	46.9	27%	0.271	26%	0.262	S	S	.	.	H	α-helix	trans	-68.8	-27.5	171.3	-63.3	172	-179.4	0	0	112.9	L239 L241 Y243 T284 I285 R286	L239-M288 WeakPolarHBondContact O-CE 3.49Å; L241-M288 HydrophobicContact CD1-CB 4.06Å; L241-M288 HydrophobicContact CG-CB 4.1Å; Y243-M288 PolarHBondContact OH-O 3.04Å; T284-M288 HydrophobicContact CG2-CE 4.34Å; T284-M288 WeakPolarHBondContact O-CG 3.32Å; I285-M288 HydrophobicContact CD1-CE 4.06Å; I285-M288 HydrophobicContact CD1-SD 3.94Å; I285-M288 WeakPolarHBondContact O-CB 3.44Å; I285-M288 PolarHBondContact O-N 3.36Å; I285-M288 VanDerWaalsContact O-N 3.16Å; R286-M288 PolarHBondContact O-N 3.48Å
289	D	95.2	Very high	94	Very high	8 Å²	8	46.5 Å²	46.5	4%	0.043	26%	0.26	C	S	.	.	H	α-helix	trans	-83.4	-49.3	177.7	-169.6	23.7	0	0	0	111.6	L241 Y243 R251 R286 V287 S413 L417	L241-D289 HydrophobicContact CD1-CB 3.68Å; Y243-D289 WeakPolarHBondContact CE1-OD1 3.36Å; Y243-D289 WeakPolarHBondContact OH-CA 3.33Å; Y243-D289 PolarHBondContact OH-OD1 2.75Å; R251-D289 IonicContact CZ-OD1 2.72Å; R251-D289 PolarHBondContact NH1-O 3.34Å; R251-D289 VanDerWaalsContact NH1-O 3.13Å; R251-D289 IonicContact NH1-OD1 3.99Å; R251-D289 PolarHBondContact NH2-O 3.25Å; R251-D289 IonicContact NH2-OD1 2.83Å; R286-D289 PolarHBondContact O-N 3.29Å; V287-D289 VanDerWaalsContact C-N 3.3Å; D289-S413 WeakPolarHBondContact OD2-CB 3.43Å; D289-S413 PolarHBondContact OD2-OG 3.11Å; D289-L417 HydrophobicContact CB-CD2 4.11Å
290	D	94.2	Very high	93.8	Very high	74 Å²	74	45.8 Å²	45.8	40%	0.396	25%	0.251	S	S	.	.			trans	-136.8	104.8	176.5	178.9	6.7	0	0	0	110.8	R286 V287 K292 V293	R286-D290 PolarHBondContact O-N 3.04Å; R286-D290 VanDerWaalsContact O-N 3.12Å; V287-D290 CarbonylContact O-C 3.59Å; D290-K292 PolarHBondContact O-N 3.38Å; D290-K292 WeakPolarHBondContact OD1-CB 3.49Å; D290-K292 PolarHBondContact OD1-N 3.1Å; D290-V293 HydrophobicContact CB-CB 4.19Å; D290-V293 WeakPolarHBondContact O-CB 3.19Å; D290-V293 WeakPolarHBondContact O-CG1 3.37Å; D290-V293 PolarHBondContact O-N 3.11Å; D290-V293 VanDerWaalsContact O-N 3.1Å
291	P	94.1	Very high	93.7	Very high	105 Å²	105	46.8 Å²	46.8	68%	0.682	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-15.5	178.6	-26.6	35.4	0	0	0	115.3	V287	V287-P291 WeakPolarHBondContact O-CA 3.05Å
292	K	93.2	Very high	93.5	Very high	191 Å²	191	44.6 Å²	44.6	83%	0.83	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-1.4	-179.2	-61.3	-178.7	-178	178.2	0	113	D290	D290-K292 PolarHBondContact O-N 3.38Å; D290-K292 WeakPolarHBondContact OD1-CB 3.49Å; D290-K292 PolarHBondContact OD1-N 3.1Å
293	V	92.9	Very high	93.5	Very high	26 Å²	26	44.6 Å²	44.6	16%	0.158	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-63.9	133.8	-177.3	76.1	0	0	0	0	110.6	R286 V287 D290	R286-V293 HydrophobicContact CB-CG1 4.03Å; V287-V293 HydrophobicContact CG2-CG1 4.14Å; D290-V293 HydrophobicContact CB-CB 4.19Å; D290-V293 WeakPolarHBondContact O-CB 3.19Å; D290-V293 WeakPolarHBondContact O-CG1 3.37Å; D290-V293 PolarHBondContact O-N 3.11Å; D290-V293 VanDerWaalsContact O-N 3.1Å
294	P	90.2	Very high	93.6	Very high	99 Å²	99	44 Å²	44	64%	0.643	24%	0.243	S	C	*	.	P	Polyproline II helix	trans	-65.2	140	175.6	26.2	-34.2	0	0	0	110.6	R286 L296	R286-P294 PolarHBondContact NH1-O 3.44Å; R286-P294 PolarHBondContact NH2-O 3.3Å; P294-L296 PolarHBondContact O-N 3.36Å
295	L	91.1	Very high	93.6	Very high	92 Å²	92	40.5 Å²	40.5	48%	0.482	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-60.8	130.3	177.6	-58.6	-179.2	0	0	0	110.9	D283 V287	D283-L295 HydrophobicContact CB-CD2 3.74Å; V287-L295 HydrophobicContact CG2-CD2 4.4Å
296	L	89.8	Confident	93.5	Very high	14 Å²	14	40 Å²	40	7%	0.073	22%	0.219	C	C	.	.			trans	-88.6	-36.9	-174	-166.1	60.6	0	0	0	112.2	D283 P294 R394 I409 T419 A421	D283-L296 VanDerWaalsContact CG-N 3.31Å; D283-L296 WeakPolarHBondContact OD1-CB 3.44Å; D283-L296 PolarHBondContact OD1-N 3.41Å; D283-L296 PolarHBondContact OD2-N 3.25Å; P294-L296 PolarHBondContact O-N 3.36Å; L296-R394 PolarHBondContact O-N 3.49Å; L296-I409 HydrophobicContact CD1-CD1 3.36Å; L296-I409 HydrophobicContact CD2-CD1 3.63Å; L296-I409 HydrophobicContact CD2-CG1 4.31Å; L296-I409 HydrophobicContact CG-CD1 3.64Å; L296-T419 HydrophobicContact CD2-CG2 4.44Å; L296-A421 HydrophobicContact CD2-CB 3.73Å; L296-A421 HydrophobicContact CG-CB 4.43Å
297	V	90	Very high	93.3	Very high	8 Å²	8	39.5 Å²	39.5	5%	0.048	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	137.8	-171.5	167.3	0	0	0	0	111.2	C282 D283 P391 L392 V393 A421	C282-V297 WeakPolarHBondContact SG-CG2 3.28Å; D283-V297 PolarHBondContact OD2-N 2.9Å; V297-P391 HydrophobicContact CG1-CB 3.91Å; V297-P391 HydrophobicContact CG2-CB 4.41Å; V297-L392 CarbonylContact C-O 3.55Å; V297-L392 WeakPolarHBondContact CA-O 3.49Å; V297-V393 HydrophobicContact CG2-CG2 4.33Å; V297-A421 HydrophobicContact CG2-CB 3.95Å
298	V	88.9	Confident	92.9	Very high	40 Å²	40	37.8 Å²	37.8	24%	0.242	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	104.2	167.8	-176.3	0	0	0	0	107.1	L392 R394 L404	V298-L392 PolarHBondContact N-O 3.44Å; V298-L392 WeakPolarHBondContact O-CB 3.43Å; V298-L392 PolarHBondContact O-N 3.13Å; V298-R394 HydrophobicContact CG2-CG 3.6Å; V298-L404 HydrophobicContact CB-CD2 4.38Å; V298-L404 HydrophobicContact CG2-CD2 4.37Å
299	P	90.8	Very high	92.6	Very high	20 Å²	20	37.3 Å²	37.3	13%	0.13	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	139.2	178.1	24.7	-28.1	0	0	0	110.6	C347 I349 R390	P299-C347 WeakPolarHBondContact CG-O 3.29Å; P299-C347 PolarHBondContact O-N 3.23Å; P299-I349 HydrophobicContact CG-CB 4.44Å; P299-R390 WeakPolarHBondContact CA-O 3.46Å
300	S	91.2	Very high	92.2	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.042	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	138.6	168.9	-172.7	0	0	0	0	109.8	D344 S345 L389 R390	S300-D344 WeakPolarHBondContact CB-OD1 3.28Å; S300-D344 PolarHBondContact OG-OD1 3.38Å; S300-S345 PolarHBondContact OG-N 2.72Å; S300-S345 PolarHBondContact OG-O 3.38Å; S300-L389 CarbonylContact O-C 3.15Å; S300-L389 WeakPolarHBondContact O-CA 3.31Å; S300-R390 PolarHBondContact N-O 2.57Å; S300-R390 VanDerWaalsContact N-O 3.16Å; S300-R390 PolarHBondContact O-N 3.08Å
301	Q	92.3	Very high	91.9	Very high	28 Å²	28	40.5 Å²	40.5	13%	0.131	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	128.2	179.6	-174.6	166	-78.4	0	0	110.6	D344 S345 C347 A354 A387 G388 L389	Q301-D344 WeakPolarHBondContact O-CA 3.42Å; Q301-S345 PolarHBondContact N-O 2.88Å; Q301-S345 PolarHBondContact O-N 3.07Å; Q301-C347 HydrophobicContact CB-CB 3.97Å; Q301-A354 PolarHBondContact NE2-O 2.82Å; Q301-A387 HydrophobicContact CG-CB 3.76Å; Q301-G388 WeakPolarHBondContact CA-O 3.22Å; Q301-L389 HydrophobicContact CB-CD2 4.18Å; Q301-L389 HydrophobicContact CG-CD2 4.35Å
302	G	92.8	Very high	91.5	Very high	4 Å²	4	35.8 Å²	35.8	4%	0.041	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	132.9	167.9	0	0	0	0	0	111.3	T342 T343 A387 G388	G302-T342 WeakPolarHBondContact CA-OG1 3.42Å; G302-T343 WeakPolarHBondContact CA-O 3.19Å; G302-A387 CarbonylContact O-C 3.56Å; G302-A387 WeakPolarHBondContact O-CA 3.34Å; G302-G388 PolarHBondContact N-O 2.96Å; G302-G388 PolarHBondContact O-N 2.7Å
303	V	95.9	Very high	91	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	145.8	179.7	176.9	0	0	0	0	110.9	T342 T343 P355 D359 I363 W386 A387	V303-T342 PolarHBondContact N-OG1 2.96Å; V303-T342 WeakPolarHBondContact O-CA 3.08Å; V303-T342 WeakPolarHBondContact O-CB 3.37Å; V303-T342 PolarHBondContact O-OG1 3.14Å; V303-T343 HydrophobicContact CB-CG2 4.45Å; V303-T343 WeakPolarHBondContact CB-OG1 3.44Å; V303-T343 PolarHBondContact N-OG1 3.11Å; V303-T343 PolarHBondContact O-N 3.11Å; V303-P355 HydrophobicContact CG1-CB 3.72Å; V303-P355 HydrophobicContact CG2-CB 4.13Å; V303-D359 HydrophobicContact CB-CB 3.89Å; V303-D359 HydrophobicContact CG1-CB 4.1Å; V303-D359 HydrophobicContact CG2-CB 3.71Å; V303-I363 HydrophobicContact CB-CD1 4.37Å; V303-I363 HydrophobicContact CG1-CD1 4.08Å; V303-W386 WeakPolarHBondContact CA-O 3.29Å; V303-A387 HydrophobicContact CG2-CB 4.13Å
304	H	97.4	Very high	90.4	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.019	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	154.1	168.4	-65.3	76.4	0	0	0	109.8	T101 M339 A340 T342 A385 W386	T101-H304 PolarHBondContact OG1-CE1 3.46Å; T101-H304 PolarHBondContact OG1-NE2 3.15Å; H304-M339 HydrophobicContact CB-CG 4.43Å; H304-A340 CarbonylContact C-O 3.48Å; H304-A340 VanDerWaalsContact CA-O 3.25Å; H304-A340 WeakPolarHBondContact CA-O 3.39Å; H304-T342 WeakPolarHBondContact CE1-CB 3.07Å; H304-T342 PolarHBondContact CE1-OG1 3.12Å; H304-T342 PolarHBondContact ND1-OG1 3.26Å; H304-T342 WeakPolarHBondContact NE2-CB 3.37Å; H304-A385 CarbonylContact O-C 3.57Å; H304-A385 WeakPolarHBondContact O-CA 3.45Å; H304-W386 HydrophobicContact CB-CD2 4.18Å; H304-W386 HydrophobicContact CB-CE3 4.32Å; H304-W386 HydrophobicContact CB-CH2 3.61Å; H304-W386 HydrophobicContact CB-CZ2 3.48Å; H304-W386 VanDerWaalsContact CB-CZ2 3.48Å; H304-W386 HydrophobicContact CB-CZ3 4.04Å; H304-W386 AromaticContact CE1-CH2 3.84Å; H304-W386 AromaticContact CG-CH2 3.37Å; H304-W386 AromaticContact CG-CZ2 3.74Å; H304-W386 AromaticContact CG-CZ3 3.85Å; H304-W386 PolarHBondContact N-O 2.97Å; H304-W386 AromaticContact ND1-CH2 3.21Å; H304-W386 WeakPolarHBondContact ND1-CH2 3.48Å; H304-W386 AromaticContact ND1-CZ3 3.29Å; H304-W386 VanDerWaalsContact ND1-CZ3 3.29Å; H304-W386 WeakPolarHBondContact ND1-CZ3 2.93Å; H304-W386 PolarHBondContact O-N 3.33Å
305	I	96.4	Very high	90	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	150.2	172.8	69.4	177.6	0	0	0	110.1	L307 M339 A340 V360 I363 L364 I367 V382 S384 A385	I305-L307 HydrophobicContact CD1-CD1 4.18Å; I305-L307 HydrophobicContact CD1-CD2 4.27Å; I305-L307 HydrophobicContact CD1-CG 4.26Å; I305-L307 HydrophobicContact CG1-CD1 4.48Å; I305-L307 HydrophobicContact CG1-CG 4.37Å; I305-M339 WeakPolarHBondContact O-CA 3.1Å; I305-A340 HydrophobicContact CD1-CB 4.41Å; I305-A340 HydrophobicContact CG1-CB 3.84Å; I305-A340 PolarHBondContact N-O 2.98Å; I305-A340 PolarHBondContact O-N 3.38Å; I305-V360 HydrophobicContact CG2-CB 4.34Å; I305-V360 HydrophobicContact CG2-CG1 4.05Å; I305-V360 HydrophobicContact CG2-CG2 4.08Å; I305-I363 HydrophobicContact CD1-CB 4.09Å; I305-I363 HydrophobicContact CD1-CG2 3.5Å; I305-I363 HydrophobicContact CG1-CB 4.49Å; I305-I363 HydrophobicContact CG1-CG2 3.72Å; I305-I363 HydrophobicContact CG2-CD1 4.08Å; I305-L364 HydrophobicContact CD1-CD2 3.74Å; I305-L364 HydrophobicContact CD1-CG 4.05Å; I305-I367 HydrophobicContact CD1-CD1 3.96Å; I305-V382 HydrophobicContact CB-CG1 4.02Å; I305-V382 HydrophobicContact CD1-CG2 4.1Å; I305-V382 HydrophobicContact CG2-CG1 4.31Å; I305-S384 CarbonylContact C-O 3.59Å; I305-S384 WeakPolarHBondContact CA-O 3.39Å; I305-A385 HydrophobicContact CG2-CB 3.98Å
306	I	96.6	Very high	90	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.6	170.6	-58.3	-50.7	0	0	0	110.1	W334 M337 T338 M339 V382 M383 S384 F549 L550	I306-W334 HydrophobicContact CD1-CE3 4.07Å; I306-W334 HydrophobicContact CD1-CZ3 4.31Å; I306-M337 HydrophobicContact CG2-CB 3.63Å; I306-M337 HydrophobicContact CG2-CE 4.05Å; I306-M337 HydrophobicContact CG2-CG 4.15Å; I306-T338 CarbonylContact C-O 3.55Å; I306-T338 WeakPolarHBondContact CA-O 3.4Å; I306-M339 HydrophobicContact CD1-CB 3.51Å; I306-M339 HydrophobicContact CD1-CG 3.64Å; I306-M339 HydrophobicContact CD1-SD 4.45Å; I306-V382 CarbonylContact O-C 3.44Å; I306-V382 WeakPolarHBondContact O-CA 3.45Å; I306-M383 HydrophobicContact CG2-CB 4.42Å; I306-M383 PolarHBondContact O-N 2.82Å; I306-S384 WeakPolarHBondContact CB-OG 3.45Å; I306-S384 VanDerWaalsContact CG1-OG 3.31Å; I306-S384 WeakPolarHBondContact CG1-OG 3.36Å; I306-S384 PolarHBondContact N-O 2.8Å; I306-F549 WeakPolarHBondContact CG1-O 3.48Å; I306-L550 WeakPolarHBondContact CG2-O 3.4Å
307	L	92.1	Very high	90.2	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	163	-179.8	-61.2	165	0	0	0	109.5	I305 Y311 T338 A340 L364 I367 I377 D381 V382	I305-L307 HydrophobicContact CD1-CD1 4.18Å; I305-L307 HydrophobicContact CD1-CD2 4.27Å; I305-L307 HydrophobicContact CD1-CG 4.26Å; I305-L307 HydrophobicContact CG1-CD1 4.48Å; I305-L307 HydrophobicContact CG1-CG 4.37Å; L307-Y311 HydrophobicContact CB-CD2 3.75Å; L307-Y311 HydrophobicContact CB-CE2 4.48Å; L307-Y311 HydrophobicContact CB-CG 4.28Å; L307-Y311 HydrophobicContact CD1-CD2 4.48Å; L307-Y311 HydrophobicContact CD1-CG 4.37Å; L307-T338 PolarHBondContact N-O 3.3Å; L307-T338 PolarHBondContact O-N 2.94Å; L307-A340 HydrophobicContact CD1-CB 4.45Å; L307-L364 HydrophobicContact CD2-CD2 4.38Å; L307-I367 HydrophobicContact CD1-CD1 3.54Å; L307-I377 HydrophobicContact CD1-CD1 3.66Å; L307-I377 HydrophobicContact CD2-CD1 4.03Å; L307-D381 HydrophobicContact CD2-CB 4.03Å; L307-D381 WeakPolarHBondContact CD2-O 3.24Å; L307-V382 HydrophobicContact CD2-CG2 3.96Å
308	P	88.7	Confident	90.3	Very high	19 Å²	19	29.4 Å²	29.4	12%	0.123	16%	0.159	C	C	.	.			trans	-50.4	152	170	-30.7	35.7	0	0	0	114.1	Y310 Y311 T338 D381 M383	P308-Y310 HydrophobicContact CB-CD1 3.69Å; P308-Y310 HydrophobicContact CB-CE1 3.22Å; P308-Y310 HydrophobicContact CB-CE2 4.2Å; P308-Y310 HydrophobicContact CB-CG 4.35Å; P308-Y310 HydrophobicContact CG-CE1 3.96Å; P308-Y310 PolarHBondContact O-N 2.79Å; P308-Y310 VanDerWaalsContact O-N 3.08Å; P308-Y311 HydrophobicContact CB-CD2 4.18Å; P308-Y311 HydrophobicContact CB-CE2 4.45Å; P308-Y311 HydrophobicContact CG-CD2 4.37Å; P308-Y311 HydrophobicContact CG-CE2 4.27Å; P308-Y311 PolarHBondContact O-N 3.32Å; P308-T338 WeakPolarHBondContact O-CB 3.41Å; P308-T338 PolarHBondContact O-OG1 3.48Å; P308-D381 WeakPolarHBondContact CD-O 3.22Å; P308-M383 HydrophobicContact CG-CE 4.21Å
309	A	91.2	Very high	90.3	Very high	45 Å²	45	28.4 Å²	28.4	37%	0.372	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-55	-32.1	-174.9	0	0	0	0	0	114.1	Y311 S312 N336 T338	A309-Y311 PolarHBondContact O-N 2.8Å; A309-S312 PolarHBondContact O-N 2.94Å; A309-N336 WeakPolarHBondContact CB-O 3.44Å; A309-T338 PolarHBondContact O-OG1 3.03Å
310	Y	86.7	Confident	90	Very high	136 Å²	136	27.5 Å²	27.5	53%	0.533	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-71.9	-11.6	-174.1	56.5	-105.2	0	0	0	114	L195 P308 S312	L195-Y310 WeakPolarHBondContact CD1-O 3.36Å; P308-Y310 HydrophobicContact CB-CD1 3.69Å; P308-Y310 HydrophobicContact CB-CE1 3.22Å; P308-Y310 HydrophobicContact CB-CE2 4.2Å; P308-Y310 HydrophobicContact CB-CG 4.35Å; P308-Y310 HydrophobicContact CG-CE1 3.96Å; P308-Y310 PolarHBondContact O-N 2.79Å; P308-Y310 VanDerWaalsContact O-N 3.08Å; Y310-S312 VanDerWaalsContact C-N 3.25Å; Y310-S312 PolarHBondContact O-N 3.4Å
311	Y	87.2	Confident	89.4	Confident	12 Å²	12	28.9 Å²	28.9	5%	0.047	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-76.8	-7	175	-76.4	-69.6	0	0	0	114.2	L307 P308 A309 L371 V375 I377 D381	L307-Y311 HydrophobicContact CB-CD2 3.75Å; L307-Y311 HydrophobicContact CB-CE2 4.48Å; L307-Y311 HydrophobicContact CB-CG 4.28Å; L307-Y311 HydrophobicContact CD1-CD2 4.48Å; L307-Y311 HydrophobicContact CD1-CG 4.37Å; P308-Y311 HydrophobicContact CB-CD2 4.18Å; P308-Y311 HydrophobicContact CB-CE2 4.45Å; P308-Y311 HydrophobicContact CG-CD2 4.37Å; P308-Y311 HydrophobicContact CG-CE2 4.27Å; P308-Y311 PolarHBondContact O-N 3.32Å; A309-Y311 PolarHBondContact O-N 2.8Å; Y311-L371 HydrophobicContact CD1-CD1 3.99Å; Y311-L371 HydrophobicContact CE1-CD1 3.92Å; Y311-V375 HydrophobicContact CE1-CG1 4.37Å; Y311-I377 HydrophobicContact CD1-CD1 4.25Å; Y311-I377 HydrophobicContact CE1-CB 3.94Å; Y311-I377 HydrophobicContact CE1-CD1 4.04Å; Y311-I377 HydrophobicContact CE1-CG1 3.95Å; Y311-D381 HydrophobicContact CE2-CB 4.05Å; Y311-D381 PolarHBondContact OH-OD2 3Å
312	S	86.4	Confident	88.5	Confident	7 Å²	7	31.2 Å²	31.2	5%	0.049	17%	0.174	C	C	.	.	S	Bend	trans	-136.9	158.7	170.3	61.6	0	0	0	0	111.3	A309 Y310 S314 T338	A309-S312 PolarHBondContact O-N 2.94Å; Y310-S312 VanDerWaalsContact C-N 3.25Å; Y310-S312 PolarHBondContact O-N 3.4Å; S312-S314 PolarHBondContact O-N 3.42Å; S312-T338 PolarHBondContact N-OG1 2.92Å; S312-T338 VanDerWaalsContact N-OG1 3.13Å; S312-T338 WeakPolarHBondContact OG-CG2 3.42Å; S312-T338 PolarHBondContact OG-OG1 3.25Å
313	P	83	Confident	87.6	Confident	9 Å²	9	31.5 Å²	31.5	6%	0.058	18%	0.175	C	C	.	.			trans	-59.2	128	171	-22.3	33.7	0	0	0	110.5	L192 F193 K315 A316	L192-P313 WeakPolarHBondContact O-CB 3.37Å; F193-P313 HydrophobicContact CB-CG 3.71Å; F193-P313 HydrophobicContact CD1-CG 4.4Å; F193-P313 HydrophobicContact CD2-CG 3.84Å; F193-P313 HydrophobicContact CG-CG 3.72Å; P313-K315 PolarHBondContact O-N 3.16Å; P313-A316 HydrophobicContact CB-CB 4.09Å; P313-A316 WeakPolarHBondContact CB-O 3.29Å; P313-A316 WeakPolarHBondContact CD-O 3.49Å; P313-A316 PolarHBondContact O-N 2.75Å; P313-A316 VanDerWaalsContact O-N 3.12Å
314	S	78.6	Confident	86.4	Confident	105 Å²	105	36 Å²	36	73%	0.734	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-22.7	-174.1	59.1	0	0	0	0	114.9	S312	S312-S314 PolarHBondContact O-N 3.42Å
315	K	83.5	Confident	85.3	Confident	176 Å²	176	39.8 Å²	39.8	77%	0.765	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.3	5.1	-178.1	-63.1	-176.4	-178.3	176.8	0	114.1	P148 P313	P148-K315 WeakPolarHBondContact CD-O 3.46Å; P148-K315 WeakPolarHBondContact CG-O 3.33Å; P313-K315 PolarHBondContact O-N 3.16Å
316	A	91.4	Very high	84.2	Confident	4 Å²	4	41.6 Å²	41.6	3%	0.033	25%	0.246	C	C	.	.			trans	-144.6	140.4	-179.9	0	0	0	0	0	111.7	P148 P313 P333	P148-A316 HydrophobicContact CB-CB 4.28Å; P148-A316 HydrophobicContact CG-CB 3.91Å; P148-A316 CarbonylContact O-C 3.59Å; P148-A316 VanDerWaalsContact O-CA 3.24Å; P148-A316 WeakPolarHBondContact O-CA 3.43Å; P313-A316 HydrophobicContact CB-CB 4.09Å; P313-A316 WeakPolarHBondContact CB-O 3.29Å; P313-A316 WeakPolarHBondContact CD-O 3.49Å; P313-A316 PolarHBondContact O-N 2.75Å; P313-A316 VanDerWaalsContact O-N 3.12Å; A316-P333 WeakPolarHBondContact O-CD 3.24Å
317	G	92.7	Very high	83.4	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	162.1	168	0	0	0	0	0	111.6	P148 I149 M150 F331	P148-G317 PolarHBondContact O-N 2.83Å; I149-G317 CarbonylContact C-O 3.56Å; I149-G317 WeakPolarHBondContact CA-O 3.4Å; M150-G317 PolarHBondContact N-O 2.64Å; G317-F331 CarbonylContact C-O 3.56Å; G317-F331 VanDerWaalsContact CA-O 3.27Å; G317-F331 WeakPolarHBondContact CA-O 3.45Å
318	L	91.9	Very high	83	Confident	2 Å²	2	46 Å²	46	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	138.7	167.7	-172.4	77.5	0	0	0	108.7	M150 P152 F193 L196 F330 F331	M150-L318 HydrophobicContact CB-CD1 4.19Å; M150-L318 HydrophobicContact CG-CD1 4.29Å; M150-L318 WeakPolarHBondContact O-CA 3.26Å; M150-L318 HydrophobicContact SD-CD1 4.22Å; P152-L318 HydrophobicContact CG-CD1 3.48Å; P152-L318 VanDerWaalsContact CG-CD1 3.48Å; P152-L318 HydrophobicContact CG-CG 4.43Å; F193-L318 HydrophobicContact CD1-CD1 4.07Å; F193-L318 HydrophobicContact CD1-CD2 4.12Å; F193-L318 HydrophobicContact CE1-CD1 4.38Å; F193-L318 HydrophobicContact CE1-CD2 3.57Å; F193-L318 HydrophobicContact CE1-CG 4.5Å; F193-L318 HydrophobicContact CZ-CD2 4.49Å; L196-L318 HydrophobicContact CD1-CD1 4.45Å; L318-F330 WeakPolarHBondContact O-CA 3.45Å; L318-F331 HydrophobicContact CB-CB 4.11Å; L318-F331 HydrophobicContact CB-CD2 3.92Å; L318-F331 HydrophobicContact CB-CG 4.49Å; L318-F331 HydrophobicContact CD2-CD2 3.58Å; L318-F331 HydrophobicContact CD2-CE2 4.07Å; L318-F331 HydrophobicContact CD2-CG 4.45Å; L318-F331 HydrophobicContact CG-CD2 4.03Å; L318-F331 PolarHBondContact N-O 3.33Å; L318-F331 PolarHBondContact O-N 3.36Å
319	L	90	Very high	82.9	Confident	18 Å²	18	45.2 Å²	45.2	9%	0.094	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.2	174.6	169.7	68.3	0	0	0	109	I149 M150 L151 Y207 V328 F330	I149-L319 HydrophobicContact CG2-CB 3.6Å; M150-L319 PolarHBondContact O-N 3.02Å; L151-L319 HydrophobicContact CD1-CD2 4.08Å; L151-L319 HydrophobicContact CD1-CG 4.14Å; Y207-L319 HydrophobicContact CE1-CD2 3.85Å; L319-V328 HydrophobicContact CD1-CG1 3.23Å; L319-F330 HydrophobicContact CB-CD1 4.49Å; L319-F330 HydrophobicContact CB-CE1 4.48Å; L319-F330 HydrophobicContact CD1-CD1 3.88Å; L319-F330 HydrophobicContact CD1-CE1 3.51Å; L319-F330 HydrophobicContact CD1-CE2 4.3Å; L319-F330 HydrophobicContact CD1-CG 4.45Å; L319-F330 HydrophobicContact CD1-CZ 3.73Å; L319-F330 HydrophobicContact CG-CE1 4.47Å
320	D	84.6	Confident	83	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	117.1	161.9	172.2	9.1	0	0	0	109.5	S322 T323 V328 I329 F331 Y370	D320-S322 VanDerWaalsContact C-N 3.34Å; D320-S322 VanDerWaalsContact OD1-C 3.25Å; D320-S322 PolarHBondContact OD1-N 3.32Å; D320-T323 WeakPolarHBondContact OD2-CG2 3.45Å; D320-V328 WeakPolarHBondContact O-CA 3.42Å; D320-V328 WeakPolarHBondContact O-CG1 3.41Å; D320-I329 HydrophobicContact CB-CG2 3.55Å; D320-I329 PolarHBondContact N-O 2.79Å; D320-I329 PolarHBondContact O-N 2.76Å; D320-F331 HydrophobicContact CB-CE2 4.39Å; D320-Y370 HydrophobicContact CB-CE1 4.4Å; D320-Y370 HydrophobicContact CB-CE2 3.76Å; D320-Y370 PolarHBondContact OD1-OH 3.48Å; D320-Y370 WeakPolarHBondContact OD2-CE2 3.38Å; D320-Y370 PolarHBondContact OD2-OH 3.41Å
321	P	77.1	Confident	83.2	Confident	36 Å²	36	38.4 Å²	38.4	23%	0.234	23%	0.226	C	C	.	.	S	Bend	trans	-77.3	-15.3	-179	34.9	-37.5	0	0	0	114.1	L151	L151-P321 HydrophobicContact CD1-CB 4.07Å; L151-P321 HydrophobicContact CD1-CG 3.75Å
322	S	74.9	Confident	83.6	Confident	76 Å²	76	37.9 Å²	37.9	53%	0.531	22%	0.224	S	C	.	.			trans	-158.2	89.5	-172.7	-62.8	0	0	0	0	111.6	D320 R327	D320-S322 VanDerWaalsContact C-N 3.34Å; D320-S322 VanDerWaalsContact OD1-C 3.25Å; D320-S322 PolarHBondContact OD1-N 3.32Å; S322-R327 WeakPolarHBondContact CA-O 3.26Å
323	T	73.4	Confident	84	Confident	11 Å²	11	38.3 Å²	38.3	7%	0.067	23%	0.227	C	C	.	.			trans	-62.3	175.4	167	51.2	0	0	0	0	111.5	D320 D325 G326 R327 I329 E366	D320-T323 WeakPolarHBondContact OD2-CG2 3.45Å; T323-D325 PolarHBondContact O-N 3.43Å; T323-D325 PolarHBondContact OG1-OD1 3.02Å; T323-G326 PolarHBondContact O-N 3Å; T323-R327 PolarHBondContact N-O 3.2Å; T323-R327 VanDerWaalsContact OG1-C 3.28Å; T323-R327 VanDerWaalsContact OG1-CA 3.31Å; T323-R327 WeakPolarHBondContact OG1-CA 3.25Å; T323-R327 WeakPolarHBondContact OG1-CB 3.48Å; T323-R327 PolarHBondContact OG1-N 2.8Å; T323-R327 PolarHBondContact OG1-O 2.97Å; T323-R327 VanDerWaalsContact OG1-O 3.05Å; T323-I329 HydrophobicContact CG2-CB 3.83Å; T323-I329 HydrophobicContact CG2-CG2 3.48Å; T323-I329 VanDerWaalsContact CG2-CG2 3.48Å; T323-E366 VanDerWaalsContact CA-OE2 3.27Å; T323-E366 WeakPolarHBondContact CA-OE2 3.15Å; T323-E366 WeakPolarHBondContact CB-OE2 3.4Å; T323-E366 HydrophobicContact CG2-CB 4.41Å; T323-E366 HydrophobicContact CG2-CG 3.97Å; T323-E366 WeakPolarHBondContact CG2-OE2 3.26Å
324	S	71.3	Confident	84.6	Confident	95 Å²	95	38.2 Å²	38.2	66%	0.664	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-28.9	177.1	60.6	0	0	0	0	114.7	E366	S324-E366 VanDerWaalsContact CB-OE1 3.29Å; S324-E366 WeakPolarHBondContact CB-OE1 3.06Å; S324-E366 PolarHBondContact N-OE2 3.48Å; S324-E366 PolarHBondContact OG-OE1 2.99Å
325	D	74.3	Confident	85.3	Confident	82 Å²	82	36 Å²	36	44%	0.439	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	10.5	177.7	65.2	3.5	0	0	0	114.6	T323 R327	T323-D325 PolarHBondContact O-N 3.43Å; T323-D325 PolarHBondContact OG1-OD1 3.02Å; D325-R327 VanDerWaalsContact C-N 3.32Å; D325-R327 PolarHBondContact O-N 2.77Å; D325-R327 WeakPolarHBondContact OD1-CB 3.48Å; D325-R327 WeakPolarHBondContact OD1-CG 3.04Å; D325-R327 PolarHBondContact OD1-N 3.14Å; D325-R327 IonicContact OD1-NE 3.38Å; D325-R327 PolarHBondContact OD1-NE 2.92Å; D325-R327 IonicContact OD2-CZ 2.73Å; D325-R327 IonicContact OD2-NE 3.71Å; D325-R327 PolarHBondContact OD2-NE 3.34Å; D325-R327 IonicContact OD2-NH2 3.44Å; D325-R327 PolarHBondContact OD2-NH2 2.63Å
326	G	73.3	Confident	85.7	Confident	39 Å²	39	34.3 Å²	34.3	40%	0.402	20%	0.204	S	C	.	.	S	Bend	trans	79.1	7.8	177.2	0	0	0	0	0	115.3	T323	T323-G326 PolarHBondContact O-N 3Å
327	R	79.9	Confident	85.9	Confident	60 Å²	60	35.3 Å²	35.3	23%	0.226	21%	0.208	C	C	.	.			trans	-74.7	174.1	168.7	-66.8	-174	-68.8	-171.9	-2.2	111.1	S322 T323 D325	S322-R327 WeakPolarHBondContact CA-O 3.26Å; T323-R327 PolarHBondContact N-O 3.2Å; T323-R327 VanDerWaalsContact OG1-C 3.28Å; T323-R327 VanDerWaalsContact OG1-CA 3.31Å; T323-R327 WeakPolarHBondContact OG1-CA 3.25Å; T323-R327 WeakPolarHBondContact OG1-CB 3.48Å; T323-R327 PolarHBondContact OG1-N 2.8Å; T323-R327 PolarHBondContact OG1-O 2.97Å; T323-R327 VanDerWaalsContact OG1-O 3.05Å; D325-R327 VanDerWaalsContact C-N 3.32Å; D325-R327 PolarHBondContact O-N 2.77Å; D325-R327 WeakPolarHBondContact OD1-CB 3.48Å; D325-R327 WeakPolarHBondContact OD1-CG 3.04Å; D325-R327 PolarHBondContact OD1-N 3.14Å; D325-R327 IonicContact OD1-NE 3.38Å; D325-R327 PolarHBondContact OD1-NE 2.92Å; D325-R327 IonicContact OD2-CZ 2.73Å; D325-R327 IonicContact OD2-NE 3.71Å; D325-R327 PolarHBondContact OD2-NE 3.34Å; D325-R327 IonicContact OD2-NH2 3.44Å; D325-R327 PolarHBondContact OD2-NH2 2.63Å
328	V	82.5	Confident	86	Confident	33 Å²	33	35.3 Å²	35.3	20%	0.2	21%	0.208	C	C	.	.			trans	-112.1	127.7	177.2	165.4	0	0	0	0	107.4	R109 L319 D320 F330	R109-V328 VanDerWaalsContact NH1-CG2 3.26Å; L319-V328 HydrophobicContact CD1-CG1 3.23Å; D320-V328 WeakPolarHBondContact O-CA 3.42Å; D320-V328 WeakPolarHBondContact O-CG1 3.41Å; V328-F330 HydrophobicContact CG1-CD2 4.02Å; V328-F330 HydrophobicContact CG1-CE2 3.55Å; V328-F330 HydrophobicContact CG1-CZ 3.95Å
329	I	87.7	Confident	86.2	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	137.3	173.1	-165.8	164.2	0	0	0	109.5	D320 T323 F331 G341 I363 E366	D320-I329 HydrophobicContact CB-CG2 3.55Å; D320-I329 PolarHBondContact N-O 2.79Å; D320-I329 PolarHBondContact O-N 2.76Å; T323-I329 HydrophobicContact CG2-CB 3.83Å; T323-I329 HydrophobicContact CG2-CG2 3.48Å; T323-I329 VanDerWaalsContact CG2-CG2 3.48Å; I329-F331 HydrophobicContact CB-CZ 4.32Å; I329-F331 HydrophobicContact CD1-CE1 4Å; I329-F331 HydrophobicContact CD1-CZ 4.13Å; I329-F331 HydrophobicContact CG1-CE1 3.96Å; I329-F331 HydrophobicContact CG1-CZ 3.97Å; I329-F331 HydrophobicContact CG2-CE1 4.3Å; I329-F331 HydrophobicContact CG2-CE2 3.79Å; I329-F331 HydrophobicContact CG2-CZ 3.46Å; I329-F331 VanDerWaalsContact CG2-CZ 3.46Å; I329-G341 WeakPolarHBondContact CG1-O 3.2Å; I329-I363 HydrophobicContact CD1-CB 4.36Å; I329-I363 HydrophobicContact CD1-CG1 4.34Å; I329-I363 HydrophobicContact CD1-CG2 3.8Å; I329-E366 HydrophobicContact CD1-CB 3.95Å; I329-E366 HydrophobicContact CG2-CB 4.5Å
330	F	91.7	Very high	86.5	Confident	31 Å²	31	34.4 Å²	34.4	14%	0.136	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	141.4	177.2	-69	-90	0	0	0	109.4	T101 L103 I149 L318 L319 V328 L332 A340 G341	T101-F330 HydrophobicContact CG2-CB 4.27Å; T101-F330 HydrophobicContact CG2-CD2 4.19Å; T101-F330 HydrophobicContact CG2-CG 4.41Å; L103-F330 HydrophobicContact CD1-CD1 3.78Å; L103-F330 HydrophobicContact CD1-CD2 4.41Å; L103-F330 HydrophobicContact CD1-CE1 3.61Å; L103-F330 HydrophobicContact CD1-CE2 4.29Å; L103-F330 HydrophobicContact CD1-CG 4.17Å; L103-F330 HydrophobicContact CD1-CZ 3.89Å; I149-F330 HydrophobicContact CD1-CE1 4.4Å; L318-F330 WeakPolarHBondContact O-CA 3.45Å; L319-F330 HydrophobicContact CB-CD1 4.49Å; L319-F330 HydrophobicContact CB-CE1 4.48Å; L319-F330 HydrophobicContact CD1-CD1 3.88Å; L319-F330 HydrophobicContact CD1-CE1 3.51Å; L319-F330 HydrophobicContact CD1-CE2 4.3Å; L319-F330 HydrophobicContact CD1-CG 4.45Å; L319-F330 HydrophobicContact CD1-CZ 3.73Å; L319-F330 HydrophobicContact CG-CE1 4.47Å; V328-F330 HydrophobicContact CG1-CD2 4.02Å; V328-F330 HydrophobicContact CG1-CE2 3.55Å; V328-F330 HydrophobicContact CG1-CZ 3.95Å; F330-L332 HydrophobicContact CB-CD1 4.14Å; F330-L332 HydrophobicContact CB-CD2 3.94Å; F330-L332 HydrophobicContact CB-CG 3.85Å; F330-L332 HydrophobicContact CD1-CD2 4.05Å; F330-L332 HydrophobicContact CG-CD2 4.43Å; F330-A340 VanDerWaalsContact O-CA 3.27Å; F330-A340 WeakPolarHBondContact O-CA 2.86Å; F330-G341 PolarHBondContact N-O 2.87Å; F330-G341 PolarHBondContact O-N 3.28Å; F330-G341 VanDerWaalsContact O-N 3.08Å
331	F	92.6	Very high	86.8	Confident	8 Å²	8	34.4 Å²	34.4	4%	0.035	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	101.9	169.1	-44.5	-78.5	0	0	0	107.5	G317 L318 D320 I329 T338 M339 A340 I367	G317-F331 CarbonylContact C-O 3.56Å; G317-F331 VanDerWaalsContact CA-O 3.27Å; G317-F331 WeakPolarHBondContact CA-O 3.45Å; L318-F331 HydrophobicContact CB-CB 4.11Å; L318-F331 HydrophobicContact CB-CD2 3.92Å; L318-F331 HydrophobicContact CB-CG 4.49Å; L318-F331 HydrophobicContact CD2-CD2 3.58Å; L318-F331 HydrophobicContact CD2-CE2 4.07Å; L318-F331 HydrophobicContact CD2-CG 4.45Å; L318-F331 HydrophobicContact CG-CD2 4.03Å; L318-F331 PolarHBondContact N-O 3.33Å; L318-F331 PolarHBondContact O-N 3.36Å; D320-F331 HydrophobicContact CB-CE2 4.39Å; I329-F331 HydrophobicContact CB-CZ 4.32Å; I329-F331 HydrophobicContact CD1-CE1 4Å; I329-F331 HydrophobicContact CD1-CZ 4.13Å; I329-F331 HydrophobicContact CG1-CE1 3.96Å; I329-F331 HydrophobicContact CG1-CZ 3.97Å; I329-F331 HydrophobicContact CG2-CE1 4.3Å; I329-F331 HydrophobicContact CG2-CE2 3.79Å; I329-F331 HydrophobicContact CG2-CZ 3.46Å; I329-F331 VanDerWaalsContact CG2-CZ 3.46Å; F331-T338 HydrophobicContact CB-CG2 4.48Å; F331-M339 CarbonylContact C-O 3.58Å; F331-M339 WeakPolarHBondContact CA-O 3.49Å; F331-A340 HydrophobicContact CD1-CB 3.61Å; F331-A340 HydrophobicContact CE1-CB 3.96Å; F331-I367 HydrophobicContact CD1-CD1 4.44Å; F331-I367 HydrophobicContact CD1-CG1 3.85Å; F331-I367 HydrophobicContact CE1-CB 4.29Å; F331-I367 HydrophobicContact CE1-CD1 4.07Å; F331-I367 HydrophobicContact CE1-CG1 3.18Å; F331-I367 HydrophobicContact CZ-CG1 3.92Å
332	L	95	Very high	87.4	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.2	-167.6	-53.9	179.5	0	0	0	110.3	T101 L103 L147 F330 W334 M339	T101-L332 HydrophobicContact CG2-CD1 3.89Å; T101-L332 WeakPolarHBondContact O-CD1 3.21Å; L103-L332 HydrophobicContact CD1-CD1 3.88Å; L103-L332 HydrophobicContact CD2-CD1 3.74Å; L103-L332 HydrophobicContact CD2-CD2 4.47Å; L103-L332 HydrophobicContact CG-CD1 3.59Å; L147-L332 HydrophobicContact CD2-CD2 3.97Å; F330-L332 HydrophobicContact CB-CD1 4.14Å; F330-L332 HydrophobicContact CB-CD2 3.94Å; F330-L332 HydrophobicContact CB-CG 3.85Å; F330-L332 HydrophobicContact CD1-CD2 4.05Å; F330-L332 HydrophobicContact CG-CD2 4.43Å; L332-W334 PolarHBondContact O-N 3.07Å; L332-M339 HydrophobicContact CB-CE 4.31Å; L332-M339 HydrophobicContact CD1-CE 3.86Å; L332-M339 PolarHBondContact N-O 2.79Å; L332-M339 PolarHBondContact O-N 2.89Å
333	P	95.5	Very high	88.1	Confident	17 Å²	17	30.4 Å²	30.4	11%	0.11	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	125.1	165.6	28.4	-33.7	0	0	0	108.1	L147 Q211 A316 M337	L147-P333 HydrophobicContact CD1-CG 3.87Å; Q211-P333 PolarHBondContact NE2-O 2.74Å; Q211-P333 PolarHBondContact OE1-O 2.81Å; A316-P333 WeakPolarHBondContact O-CD 3.24Å; P333-M337 CarbonylContact C-O 3.6Å; P333-M337 WeakPolarHBondContact CA-O 3.35Å
334	W	95.3	Very high	88.8	Confident	7 Å²	7	32.7 Å²	32.7	3%	0.027	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	116.3	-179.4	-175.7	69.7	0	0	0	110.1	K102 I306 L332 N336 M337 M339 R546 F549 L550	K102-W334 HydrophobicContact CD-CZ2 4.15Å; K102-W334 HydrophobicContact CG-CD2 4.42Å; K102-W334 HydrophobicContact CG-CG 4.37Å; I306-W334 HydrophobicContact CD1-CE3 4.07Å; I306-W334 HydrophobicContact CD1-CZ3 4.31Å; L332-W334 PolarHBondContact O-N 3.07Å; W334-N336 VanDerWaalsContact C-N 3.33Å; W334-N336 PolarHBondContact O-N 3.45Å; W334-M337 PolarHBondContact N-O 3.11Å; W334-M337 WeakPolarHBondContact O-CB 3.32Å; W334-M337 PolarHBondContact O-N 3.45Å; W334-M339 HydrophobicContact CB-CB 4.18Å; W334-R546 HydrophobicContact CH2-CB 3.76Å; W334-R546 HydrophobicContact CH2-CG 4.23Å; W334-R546 HydrophobicContact CZ2-CB 4.12Å; W334-R546 HydrophobicContact CZ2-CG 4.1Å; W334-F549 HydrophobicContact CH2-CB 3.93Å; W334-F549 HydrophobicContact CZ3-CB 4.21Å; W334-L550 HydrophobicContact CD2-CD2 4.43Å; W334-L550 HydrophobicContact CE3-CD2 3.37Å; W334-L550 HydrophobicContact CE3-CG 4.33Å; W334-L550 HydrophobicContact CH2-CD2 4.17Å; W334-L550 HydrophobicContact CH2-CG 4.3Å; W334-L550 HydrophobicContact CZ3-CD2 3.22Å; W334-L550 HydrophobicContact CZ3-CG 3.7Å
335	L	93.8	Very high	89.6	Confident	59 Å²	59	30 Å²	30	31%	0.309	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	51.5	-178.6	-56.3	177.6	0	0	0	113.1	M337 R546 L550	L335-M337 PolarHBondContact O-N 3.23Å; L335-R546 HydrophobicContact CD1-CB 4.02Å; L335-R546 HydrophobicContact CD1-CG 4.22Å; L335-L550 HydrophobicContact CB-CD1 4.03Å; L335-L550 HydrophobicContact CB-CD2 3.98Å; L335-L550 HydrophobicContact CD1-CD1 3.99Å
336	N	91.7	Very high	90.3	Very high	139 Å²	139	31.8 Å²	31.8	74%	0.743	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	19.6	-176.9	-62.5	-21.1	0	0	0	115.3	A309 W334	A309-N336 WeakPolarHBondContact CB-O 3.44Å; W334-N336 VanDerWaalsContact C-N 3.33Å; W334-N336 PolarHBondContact O-N 3.45Å
337	M	94.7	Very high	91.1	Very high	25 Å²	25	31.7 Å²	31.7	12%	0.123	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	176.2	171.7	-59.1	-62.9	-78.9	0	0	109.8	I306 P333 W334 L335 M383 L550	I306-M337 HydrophobicContact CG2-CB 3.63Å; I306-M337 HydrophobicContact CG2-CE 4.05Å; I306-M337 HydrophobicContact CG2-CG 4.15Å; P333-M337 CarbonylContact C-O 3.6Å; P333-M337 WeakPolarHBondContact CA-O 3.35Å; W334-M337 PolarHBondContact N-O 3.11Å; W334-M337 WeakPolarHBondContact O-CB 3.32Å; W334-M337 PolarHBondContact O-N 3.45Å; L335-M337 PolarHBondContact O-N 3.23Å; M337-M383 HydrophobicContact CE-CB 4.16Å; M337-M383 HydrophobicContact CE-CG 3.65Å; M337-L550 HydrophobicContact CB-CD2 4.07Å; M337-L550 HydrophobicContact CG-CD2 3.81Å
338	T	94.9	Very high	91.6	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122	172.8	-59.9	0	0	0	0	109.4	I306 L307 P308 A309 S312 F331	I306-T338 CarbonylContact C-O 3.55Å; I306-T338 WeakPolarHBondContact CA-O 3.4Å; L307-T338 PolarHBondContact N-O 3.3Å; L307-T338 PolarHBondContact O-N 2.94Å; P308-T338 WeakPolarHBondContact O-CB 3.41Å; P308-T338 PolarHBondContact O-OG1 3.48Å; A309-T338 PolarHBondContact O-OG1 3.03Å; S312-T338 PolarHBondContact N-OG1 2.92Å; S312-T338 VanDerWaalsContact N-OG1 3.13Å; S312-T338 WeakPolarHBondContact OG-CG2 3.42Å; S312-T338 PolarHBondContact OG-OG1 3.25Å; F331-T338 HydrophobicContact CB-CG2 4.48Å
339	M	96.4	Very high	92.1	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	126.6	171.6	179.5	178.4	64.2	0	0	110	T101 K102 H304 I305 I306 F331 L332 W334 W386	T101-M339 HydrophobicContact CG2-CE 4.31Å; T101-M339 WeakPolarHBondContact O-CE 3.25Å; K102-M339 HydrophobicContact CB-CE 3.86Å; K102-M339 HydrophobicContact CG-CE 3.61Å; K102-M339 HydrophobicContact CG-SD 3.83Å; H304-M339 HydrophobicContact CB-CG 4.43Å; I305-M339 WeakPolarHBondContact O-CA 3.1Å; I306-M339 HydrophobicContact CD1-CB 3.51Å; I306-M339 HydrophobicContact CD1-CG 3.64Å; I306-M339 HydrophobicContact CD1-SD 4.45Å; F331-M339 CarbonylContact C-O 3.58Å; F331-M339 WeakPolarHBondContact CA-O 3.49Å; L332-M339 HydrophobicContact CB-CE 4.31Å; L332-M339 HydrophobicContact CD1-CE 3.86Å; L332-M339 PolarHBondContact N-O 2.79Å; L332-M339 PolarHBondContact O-N 2.89Å; W334-M339 HydrophobicContact CB-CB 4.18Å; M339-W386 HydrophobicContact SD-CH2 4.37Å; M339-W386 HydrophobicContact SD-CZ2 3.78Å
340	A	95.1	Very high	92.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	136.1	178.5	0	0	0	0	0	111.5	H304 I305 L307 F330 F331 I363 I367	H304-A340 CarbonylContact C-O 3.48Å; H304-A340 VanDerWaalsContact CA-O 3.25Å; H304-A340 WeakPolarHBondContact CA-O 3.39Å; I305-A340 HydrophobicContact CD1-CB 4.41Å; I305-A340 HydrophobicContact CG1-CB 3.84Å; I305-A340 PolarHBondContact N-O 2.98Å; I305-A340 PolarHBondContact O-N 3.38Å; L307-A340 HydrophobicContact CD1-CB 4.45Å; F330-A340 VanDerWaalsContact O-CA 3.27Å; F330-A340 WeakPolarHBondContact O-CA 2.86Å; F331-A340 HydrophobicContact CD1-CB 3.61Å; F331-A340 HydrophobicContact CE1-CB 3.96Å; A340-I363 HydrophobicContact CB-CG2 3.81Å; A340-I367 HydrophobicContact CB-CD1 3.87Å; A340-I367 HydrophobicContact CB-CG1 4.5Å
341	G	92.6	Very high	92.2	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.4	173	176.7	0	0	0	0	0	114.2	I329 F330	I329-G341 WeakPolarHBondContact CG1-O 3.2Å; F330-G341 PolarHBondContact N-O 2.87Å; F330-G341 PolarHBondContact O-N 3.28Å; F330-G341 VanDerWaalsContact O-N 3.08Å
342	T	89.4	Confident	92.3	Very high	27 Å²	27	49 Å²	49	17%	0.166	26%	0.261	C	S	.	.			cis	-133.5	162.1	18	-165	0	0	0	0	113.8	G302 V303 H304	G302-T342 WeakPolarHBondContact CA-OG1 3.42Å; V303-T342 PolarHBondContact N-OG1 2.96Å; V303-T342 WeakPolarHBondContact O-CA 3.08Å; V303-T342 WeakPolarHBondContact O-CB 3.37Å; V303-T342 PolarHBondContact O-OG1 3.14Å; H304-T342 WeakPolarHBondContact CE1-CB 3.07Å; H304-T342 PolarHBondContact CE1-OG1 3.12Å; H304-T342 PolarHBondContact ND1-OG1 3.26Å; H304-T342 WeakPolarHBondContact NE2-CB 3.37Å
343	T	90	Very high	92.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.264	C	S	.	.			trans	-80.8	175	162.9	65.6	0	0	0	0	111.6	G302 V303 D359 F362 I363	G302-T343 WeakPolarHBondContact CA-O 3.19Å; V303-T343 HydrophobicContact CB-CG2 4.45Å; V303-T343 WeakPolarHBondContact CB-OG1 3.44Å; V303-T343 PolarHBondContact N-OG1 3.11Å; V303-T343 PolarHBondContact O-N 3.11Å; T343-D359 HydrophobicContact CG2-CB 3.93Å; T343-F362 HydrophobicContact CG2-CD1 3.81Å; T343-F362 HydrophobicContact CG2-CE1 4.44Å; T343-I363 HydrophobicContact CG2-CD1 4.17Å; T343-I363 HydrophobicContact CG2-CG1 4.08Å
344	D	86.5	Confident	92.2	Very high	59 Å²	59	50 Å²	50	32%	0.316	27%	0.27	S	S	.	.			trans	-158.5	96.6	-179.6	-157.1	-5	0	0	0	108	S300 Q301 R390	S300-D344 WeakPolarHBondContact CB-OD1 3.28Å; S300-D344 PolarHBondContact OG-OD1 3.38Å; Q301-D344 WeakPolarHBondContact O-CA 3.42Å; D344-R390 VanDerWaalsContact CG-NH1 3.33Å; D344-R390 IonicContact OD1-NH1 3.91Å; D344-R390 IonicContact OD2-CZ 2.79Å; D344-R390 IonicContact OD2-NH1 3.57Å; D344-R390 PolarHBondContact OD2-NH1 3.49Å; D344-R390 IonicContact OD2-NH2 2.73Å
345	S	88.2	Confident	92.1	Very high	38 Å²	38	50 Å²	50	27%	0.266	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	131	-174.5	-62.7	0	0	0	0	110.1	S300 Q301 C347	S300-S345 PolarHBondContact OG-N 2.72Å; S300-S345 PolarHBondContact OG-O 3.38Å; Q301-S345 PolarHBondContact N-O 2.88Å; Q301-S345 PolarHBondContact O-N 3.07Å; S345-C347 PolarHBondContact O-N 3.25Å
346	P	89.4	Confident	91.9	Very high	120 Å²	120	48.9 Å²	48.9	78%	0.779	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.5	140.6	173.7	-25.3	34	0	0	0	111.8
347	C	90.6	Very high	91.6	Very high	37 Å²	37	43 Å²	43	25%	0.25	24%	0.238	C	C	.	.			trans	-147.1	169.2	-178.7	70.2	0	0	0	0	111.4	P299 Q301 S345 L389	P299-C347 WeakPolarHBondContact CG-O 3.29Å; P299-C347 PolarHBondContact O-N 3.23Å; Q301-C347 HydrophobicContact CB-CB 3.97Å; S345-C347 PolarHBondContact O-N 3.25Å; C347-L389 VanDerWaalsContact SG-CD2 3.56Å
348	E	90.8	Very high	91.2	Very high	174 Å²	174	49.1 Å²	49.1	81%	0.813	26%	0.264	S	S	*	.			trans	-83.1	159.7	165.9	-64.4	-173.9	165	0	0	110.6
349	I	91.5	Very high	91.1	Very high	71 Å²	71	49.7 Å²	49.7	36%	0.364	27%	0.267	S	S	.	.			trans	-71.7	132.2	175.3	-171.7	61.2	0	0	0	109.8	A280 F281 P299 L389	A280-I349 HydrophobicContact CB-CD1 3.51Å; A280-I349 VanDerWaalsContact O-CD1 3.29Å; A280-I349 WeakPolarHBondContact O-CD1 3.49Å; F281-I349 HydrophobicContact CD1-CD1 3.9Å; F281-I349 HydrophobicContact CD1-CG1 3.56Å; F281-I349 HydrophobicContact CD2-CD1 4.08Å; F281-I349 HydrophobicContact CE1-CD1 3.8Å; F281-I349 HydrophobicContact CE1-CG1 3.52Å; F281-I349 HydrophobicContact CE2-CD1 3.98Å; F281-I349 HydrophobicContact CG-CD1 4.04Å; F281-I349 HydrophobicContact CG-CG1 4.15Å; F281-I349 HydrophobicContact CZ-CD1 3.83Å; F281-I349 HydrophobicContact CZ-CG1 4.06Å; P299-I349 HydrophobicContact CG-CB 4.44Å; I349-L389 HydrophobicContact CD1-CD1 3.82Å
350	T	93.6	Very high	90.7	Very high	50 Å²	50	49.7 Å²	49.7	31%	0.307	27%	0.267	S	S	.	.			trans	-150.5	144.5	177.5	178.1	0	0	0	0	110.5	F281 R352 P353 L389	F281-T350 WeakPolarHBondContact CZ-O 3.33Å; T350-R352 VanDerWaalsContact C-N 3.28Å; T350-R352 PolarHBondContact OG1-N 3.48Å; T350-R352 VanDerWaalsContact OG1-N 3.14Å; T350-P353 HydrophobicContact CG2-CB 4.32Å; T350-L389 HydrophobicContact CG2-CD1 4.25Å; T350-L389 VanDerWaalsContact O-CD1 3.29Å; T350-L389 WeakPolarHBondContact O-CD1 3.45Å
351	D	89.7	Confident	90.2	Very high	77 Å²	77	50.7 Å²	50.7	41%	0.412	27%	0.272	S	S	.	.	S	Bend	trans	-82	-8.1	173.1	68.5	-25	0	0	0	112.8	M89 F281 P353	M89-D351 HydrophobicContact CE-CB 4.26Å; F281-D351 HydrophobicContact CE1-CB 4.5Å; F281-D351 HydrophobicContact CZ-CB 4.15Å; D351-P353 WeakPolarHBondContact O-CD 3.28Å
352	R	92.8	Very high	90	Very high	125 Å²	125	52.7 Å²	52.7	47%	0.472	28%	0.28	S	S	.	.	S	Bend	trans	-124.3	59.6	179.7	-59.4	178.6	-168.4	-158.2	4.4	111.9	T350 A354 E586 Q591	T350-R352 VanDerWaalsContact C-N 3.28Å; T350-R352 PolarHBondContact OG1-N 3.48Å; T350-R352 VanDerWaalsContact OG1-N 3.14Å; R352-A354 PolarHBondContact O-N 3.25Å; R352-E586 IonicContact CZ-OE1 2.98Å; R352-E586 IonicContact NH1-OE1 3.69Å; R352-E586 PolarHBondContact NH1-OE1 3.31Å; R352-Q591 HydrophobicContact CB-CG 4.37Å
353	P	94.6	Very high	90.1	Very high	9 Å²	9	51.4 Å²	51.4	6%	0.058	27%	0.272	C	S	.	.			trans	-62.9	132.1	177.7	28.9	-35.1	0	0	0	110.4	T350 D351 A387 L389	T350-P353 HydrophobicContact CG2-CB 4.32Å; D351-P353 WeakPolarHBondContact O-CD 3.28Å; P353-A387 HydrophobicContact CB-CB 4.09Å; P353-L389 HydrophobicContact CB-CD2 4.15Å; P353-L389 HydrophobicContact CB-CG 4.2Å
354	A	94.4	Very high	89.9	Confident	29 Å²	29	51.4 Å²	51.4	24%	0.24	27%	0.272	C	S	.	.			trans	-129.1	141.4	179.9	0	0	0	0	0	109.7	Q301 R352 F590	Q301-A354 PolarHBondContact NE2-O 2.82Å; R352-A354 PolarHBondContact O-N 3.25Å; A354-F590 VanDerWaalsContact CB-O 3.26Å; A354-F590 WeakPolarHBondContact CB-O 3.39Å
355	P	94	Very high	89.9	Confident	8 Å²	8	51 Å²	51	5%	0.052	27%	0.27	C	S	.	.			trans	-68.1	141.3	175.4	33.2	-38.1	0	0	0	110.3	V303 V360 A385	V303-P355 HydrophobicContact CG1-CB 3.72Å; V303-P355 HydrophobicContact CG2-CB 4.13Å; P355-V360 HydrophobicContact CB-CG2 4.35Å; P355-A385 HydrophobicContact CB-CB 4.16Å; P355-A385 HydrophobicContact CG-CB 3.86Å; P355-A385 WeakPolarHBondContact CG-O 3.48Å
356	A	88.9	Confident	89.9	Confident	35 Å²	35	49.5 Å²	49.5	29%	0.289	26%	0.259	S	S	.	.			trans	-86.6	147.3	166.8	0	0	0	0	0	109.9	K358 D359 V360	A356-K358 HydrophobicContact CB-CG 3.99Å; A356-K358 PolarHBondContact O-N 2.75Å; A356-D359 WeakPolarHBondContact CB-OD2 3.11Å; A356-D359 WeakPolarHBondContact O-CB 3.24Å; A356-D359 PolarHBondContact O-N 2.94Å; A356-V360 PolarHBondContact O-N 3.28Å
357	E	85.6	Confident	89.8	Confident	17 Å²	17	44.1 Å²	44.1	8%	0.079	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-34.2	-179.7	-171.6	61.8	-165.9	0	0	112.2	D359 V360 E361 R379 R597 A600	E357-D359 VanDerWaalsContact C-N 3.26Å; E357-D359 PolarHBondContact O-N 3.35Å; E357-V360 WeakPolarHBondContact O-CB 3.22Å; E357-V360 PolarHBondContact O-N 2.97Å; E357-V360 VanDerWaalsContact O-N 3.16Å; E357-E361 WeakPolarHBondContact O-CB 3.39Å; E357-E361 PolarHBondContact O-N 3.15Å; E357-R379 VanDerWaalsContact OE1-CD 3.23Å; E357-R379 WeakPolarHBondContact OE1-CD 3.4Å; E357-R379 IonicContact OE1-CZ 2.69Å; E357-R379 IonicContact OE1-NE 2.58Å; E357-R379 PolarHBondContact OE1-NE 3.14Å; E357-R379 IonicContact OE2-CZ 3.31Å; E357-R379 IonicContact OE2-NE 2.74Å; E357-R379 PolarHBondContact OE2-NE 3.1Å; E357-R379 VanDerWaalsContact OE2-NE 3.12Å; E357-R379 IonicContact OE2-NH2 3.47Å; E357-R379 PolarHBondContact OE2-NH2 3.24Å; E357-R597 PolarHBondContact OE2-N 3.24Å; E357-A600 HydrophobicContact CB-CB 3.73Å; E357-A600 HydrophobicContact CG-CB 4.2Å
358	K	87.2	Confident	89.6	Confident	153 Å²	153	45.6 Å²	45.6	67%	0.665	22%	0.224	S	C	*	.	H	α-helix	trans	-58.8	-34.8	173.2	69.9	-179.7	-176.7	179.6	0	113.4	A356 F362	A356-K358 HydrophobicContact CB-CG 3.99Å; A356-K358 PolarHBondContact O-N 2.75Å; K358-F362 VanDerWaalsContact O-CB 3.32Å; K358-F362 WeakPolarHBondContact O-CB 3.13Å; K358-F362 PolarHBondContact O-N 3.07Å
359	D	91	Very high	89.2	Confident	13 Å²	13	42.4 Å²	42.4	7%	0.07	21%	0.209	C	C	.	.	H	α-helix	trans	-74.4	-37.8	178.6	-67.7	-56.2	0	0	0	110.4	V303 T343 A356 E357 I363	V303-D359 HydrophobicContact CB-CB 3.89Å; V303-D359 HydrophobicContact CG1-CB 4.1Å; V303-D359 HydrophobicContact CG2-CB 3.71Å; T343-D359 HydrophobicContact CG2-CB 3.93Å; A356-D359 WeakPolarHBondContact CB-OD2 3.11Å; A356-D359 WeakPolarHBondContact O-CB 3.24Å; A356-D359 PolarHBondContact O-N 2.94Å; E357-D359 VanDerWaalsContact C-N 3.26Å; E357-D359 PolarHBondContact O-N 3.35Å; D359-I363 WeakPolarHBondContact O-CG1 3.43Å; D359-I363 PolarHBondContact O-N 3.02Å; D359-I363 VanDerWaalsContact O-N 3.12Å
360	V	88.2	Confident	88.8	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-49.4	173.9	173.4	0	0	0	0	110.3	I305 P355 A356 E357 F362 I363 L364 V382 A385	I305-V360 HydrophobicContact CG2-CB 4.34Å; I305-V360 HydrophobicContact CG2-CG1 4.05Å; I305-V360 HydrophobicContact CG2-CG2 4.08Å; P355-V360 HydrophobicContact CB-CG2 4.35Å; A356-V360 PolarHBondContact O-N 3.28Å; E357-V360 WeakPolarHBondContact O-CB 3.22Å; E357-V360 PolarHBondContact O-N 2.97Å; E357-V360 VanDerWaalsContact O-N 3.16Å; V360-F362 VanDerWaalsContact C-N 3.34Å; V360-F362 PolarHBondContact O-N 2.86Å; V360-I363 PolarHBondContact O-N 3.47Å; V360-L364 HydrophobicContact CG1-CD1 4.01Å; V360-L364 HydrophobicContact CG1-CG 4.49Å; V360-L364 WeakPolarHBondContact O-CG 3.29Å; V360-L364 PolarHBondContact O-N 3.13Å; V360-V382 HydrophobicContact CG1-CG2 4.25Å; V360-A385 HydrophobicContact CG2-CB 3.76Å
361	E	84.9	Confident	88.3	Confident	21 Å²	21	38.6 Å²	38.6	10%	0.098	19%	0.185	C	C	.	.	H	α-helix	trans	-67.2	-34.7	-179.8	-170.7	54.2	-146	0	0	112.1	E357 L364 N365 R368 C685	E357-E361 WeakPolarHBondContact O-CB 3.39Å; E357-E361 PolarHBondContact O-N 3.15Å; E361-L364 PolarHBondContact O-N 3.41Å; E361-N365 WeakPolarHBondContact O-CB 3.26Å; E361-N365 PolarHBondContact O-N 3.42Å; E361-N365 PolarHBondContact O-ND2 2.9Å; E361-N365 PolarHBondContact OE1-ND2 3.25Å; E361-R368 IonicContact OE1-CZ 2.85Å; E361-R368 IonicContact OE1-NH1 3.87Å; E361-R368 PolarHBondContact OE1-NH1 2.91Å; E361-R368 IonicContact OE1-NH2 3.72Å; E361-R368 PolarHBondContact OE1-NH2 3.38Å; E361-C685 HydrophobicContact CG-CB 4.03Å
362	F	89.3	Confident	88.1	Confident	44 Å²	44	36 Å²	36	19%	0.193	17%	0.171	C	C	.	.	H	α-helix	trans	-56.5	-50.5	169.7	174	-91.3	0	0	0	111.1	T343 K358 V360 L364 N365 E366	T343-F362 HydrophobicContact CG2-CD1 3.81Å; T343-F362 HydrophobicContact CG2-CE1 4.44Å; K358-F362 VanDerWaalsContact O-CB 3.32Å; K358-F362 WeakPolarHBondContact O-CB 3.13Å; K358-F362 PolarHBondContact O-N 3.07Å; V360-F362 VanDerWaalsContact C-N 3.34Å; V360-F362 PolarHBondContact O-N 2.86Å; F362-L364 VanDerWaalsContact C-N 3.35Å; F362-L364 PolarHBondContact O-N 3.42Å; F362-N365 WeakPolarHBondContact O-CB 3.33Å; F362-N365 PolarHBondContact O-N 3.13Å; F362-E366 HydrophobicContact CD1-CG 4.31Å; F362-E366 HydrophobicContact CE1-CG 3.74Å; F362-E366 HydrophobicContact CE2-CG 4.16Å; F362-E366 HydrophobicContact CZ-CG 3.65Å; F362-E366 WeakPolarHBondContact O-CG 3.42Å; F362-E366 PolarHBondContact O-N 2.88Å
363	I	90.9	Very high	87.4	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63	-42.4	-179.8	-64.2	163.8	0	0	0	111.1	V303 I305 I329 A340 T343 D359 V360 N365 E366 I367	V303-I363 HydrophobicContact CB-CD1 4.37Å; V303-I363 HydrophobicContact CG1-CD1 4.08Å; I305-I363 HydrophobicContact CD1-CB 4.09Å; I305-I363 HydrophobicContact CD1-CG2 3.5Å; I305-I363 HydrophobicContact CG1-CB 4.49Å; I305-I363 HydrophobicContact CG1-CG2 3.72Å; I305-I363 HydrophobicContact CG2-CD1 4.08Å; I329-I363 HydrophobicContact CD1-CB 4.36Å; I329-I363 HydrophobicContact CD1-CG1 4.34Å; I329-I363 HydrophobicContact CD1-CG2 3.8Å; A340-I363 HydrophobicContact CB-CG2 3.81Å; T343-I363 HydrophobicContact CG2-CD1 4.17Å; T343-I363 HydrophobicContact CG2-CG1 4.08Å; D359-I363 WeakPolarHBondContact O-CG1 3.43Å; D359-I363 PolarHBondContact O-N 3.02Å; D359-I363 VanDerWaalsContact O-N 3.12Å; V360-I363 PolarHBondContact O-N 3.47Å; I363-N365 VanDerWaalsContact C-N 3.33Å; I363-N365 PolarHBondContact O-N 2.96Å; I363-E366 PolarHBondContact O-N 3.2Å; I363-I367 HydrophobicContact CG2-CD1 4Å; I363-I367 WeakPolarHBondContact O-CD1 3.38Å; I363-I367 VanDerWaalsContact O-CG1 3.27Å; I363-I367 WeakPolarHBondContact O-CG1 3.32Å; I363-I367 PolarHBondContact O-N 3.2Å
364	L	86.5	Confident	86.5	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.1	-42.7	175.7	-69.9	171.7	0	0	0	111.9	I305 L307 V360 E361 F362 I367 R368 I377 R379 V382	I305-L364 HydrophobicContact CD1-CD2 3.74Å; I305-L364 HydrophobicContact CD1-CG 4.05Å; L307-L364 HydrophobicContact CD2-CD2 4.38Å; V360-L364 HydrophobicContact CG1-CD1 4.01Å; V360-L364 HydrophobicContact CG1-CG 4.49Å; V360-L364 WeakPolarHBondContact O-CG 3.29Å; V360-L364 PolarHBondContact O-N 3.13Å; E361-L364 PolarHBondContact O-N 3.41Å; F362-L364 VanDerWaalsContact C-N 3.35Å; F362-L364 PolarHBondContact O-N 3.42Å; L364-I367 PolarHBondContact O-N 3.04Å; L364-R368 WeakPolarHBondContact O-CG 3.42Å; L364-R368 PolarHBondContact O-N 3.39Å; L364-R368 VanDerWaalsContact O-N 3.09Å; L364-I377 HydrophobicContact CD2-CD1 3.67Å; L364-I377 HydrophobicContact CD2-CG1 3.84Å; L364-R379 HydrophobicContact CD1-CB 4.16Å; L364-V382 HydrophobicContact CD1-CG2 4.12Å; L364-V382 HydrophobicContact CD2-CG2 3.86Å; L364-V382 HydrophobicContact CG-CG2 4.35Å
365	N	86.2	Confident	85.7	Confident	50 Å²	50	42.5 Å²	42.5	27%	0.267	22%	0.218	S	C	.	.	H	α-helix	trans	-61.8	-44.9	175.3	-80.4	-49.7	0	0	0	112.2	E361 F362 I363 I367 R368 H369	E361-N365 WeakPolarHBondContact O-CB 3.26Å; E361-N365 PolarHBondContact O-N 3.42Å; E361-N365 PolarHBondContact O-ND2 2.9Å; E361-N365 PolarHBondContact OE1-ND2 3.25Å; F362-N365 WeakPolarHBondContact O-CB 3.33Å; F362-N365 PolarHBondContact O-N 3.13Å; I363-N365 VanDerWaalsContact C-N 3.33Å; I363-N365 PolarHBondContact O-N 2.96Å; N365-I367 VanDerWaalsContact C-N 3.3Å; N365-I367 PolarHBondContact O-N 3.26Å; N365-R368 WeakPolarHBondContact O-CB 3.31Å; N365-R368 PolarHBondContact O-N 2.88Å; N365-R368 PolarHBondContact OD1-NH1 3.49Å; N365-H369 PolarHBondContact O-CE1 3.2Å; N365-H369 PolarHBondContact O-ND1 3.06Å
366	E	88.3	Confident	84.7	Confident	7 Å²	7	45.1 Å²	45.1	3%	0.033	24%	0.237	C	C	.	.	H	α-helix	trans	-62.2	-38.7	176.5	-65.3	-53.7	130.4	0	0	111.6	T323 S324 I329 F362 I363 R368 H369	T323-E366 VanDerWaalsContact CA-OE2 3.27Å; T323-E366 WeakPolarHBondContact CA-OE2 3.15Å; T323-E366 WeakPolarHBondContact CB-OE2 3.4Å; T323-E366 HydrophobicContact CG2-CB 4.41Å; T323-E366 HydrophobicContact CG2-CG 3.97Å; T323-E366 WeakPolarHBondContact CG2-OE2 3.26Å; S324-E366 VanDerWaalsContact CB-OE1 3.29Å; S324-E366 WeakPolarHBondContact CB-OE1 3.06Å; S324-E366 PolarHBondContact N-OE2 3.48Å; S324-E366 PolarHBondContact OG-OE1 2.99Å; I329-E366 HydrophobicContact CD1-CB 3.95Å; I329-E366 HydrophobicContact CG2-CB 4.5Å; F362-E366 HydrophobicContact CD1-CG 4.31Å; F362-E366 HydrophobicContact CE1-CG 3.74Å; F362-E366 HydrophobicContact CE2-CG 4.16Å; F362-E366 HydrophobicContact CZ-CG 3.65Å; F362-E366 WeakPolarHBondContact O-CG 3.42Å; F362-E366 PolarHBondContact O-N 2.88Å; I363-E366 PolarHBondContact O-N 3.2Å; E366-R368 PolarHBondContact O-N 3.4Å; E366-H369 PolarHBondContact O-N 3Å
367	I	87	Confident	84.2	Confident	6 Å²	6	43.7 Å²	43.7	3%	0.031	22%	0.224	C	C	.	.	H	α-helix	trans	-60.1	-45.1	175.3	-65.9	160.3	0	0	0	111.6	I305 L307 F331 A340 I363 L364 N365 H369 Y370 L371 I377	I305-I367 HydrophobicContact CD1-CD1 3.96Å; L307-I367 HydrophobicContact CD1-CD1 3.54Å; F331-I367 HydrophobicContact CD1-CD1 4.44Å; F331-I367 HydrophobicContact CD1-CG1 3.85Å; F331-I367 HydrophobicContact CE1-CB 4.29Å; F331-I367 HydrophobicContact CE1-CD1 4.07Å; F331-I367 HydrophobicContact CE1-CG1 3.18Å; F331-I367 HydrophobicContact CZ-CG1 3.92Å; A340-I367 HydrophobicContact CB-CD1 3.87Å; A340-I367 HydrophobicContact CB-CG1 4.5Å; I363-I367 HydrophobicContact CG2-CD1 4Å; I363-I367 WeakPolarHBondContact O-CD1 3.38Å; I363-I367 VanDerWaalsContact O-CG1 3.27Å; I363-I367 WeakPolarHBondContact O-CG1 3.32Å; I363-I367 PolarHBondContact O-N 3.2Å; L364-I367 PolarHBondContact O-N 3.04Å; N365-I367 VanDerWaalsContact C-N 3.3Å; N365-I367 PolarHBondContact O-N 3.26Å; I367-H369 PolarHBondContact O-N 2.9Å; I367-H369 VanDerWaalsContact O-N 3.1Å; I367-Y370 PolarHBondContact O-N 3.11Å; I367-L371 HydrophobicContact CG2-CD1 3.58Å; I367-L371 HydrophobicContact CG2-CD2 4.45Å; I367-L371 HydrophobicContact CG2-CG 3.84Å; I367-L371 PolarHBondContact O-N 3.4Å; I367-I377 HydrophobicContact CB-CD1 4.04Å; I367-I377 HydrophobicContact CD1-CD1 3.7Å; I367-I377 HydrophobicContact CG1-CD1 4.44Å; I367-I377 HydrophobicContact CG2-CD1 3.57Å; I367-I377 HydrophobicContact CG2-CG2 4.26Å
368	R	85.8	Confident	83.7	Confident	69 Å²	69	48 Å²	48	26%	0.26	24%	0.24	S	C	.	.	H	α-helix	trans	-53.6	-33.6	-179	-72.5	171.8	-170.6	141.1	4.7	112.5	E361 L364 N365 E366 Y370 I377	E361-R368 IonicContact OE1-CZ 2.85Å; E361-R368 IonicContact OE1-NH1 3.87Å; E361-R368 PolarHBondContact OE1-NH1 2.91Å; E361-R368 IonicContact OE1-NH2 3.72Å; E361-R368 PolarHBondContact OE1-NH2 3.38Å; L364-R368 WeakPolarHBondContact O-CG 3.42Å; L364-R368 PolarHBondContact O-N 3.39Å; L364-R368 VanDerWaalsContact O-N 3.09Å; N365-R368 WeakPolarHBondContact O-CB 3.31Å; N365-R368 PolarHBondContact O-N 2.88Å; N365-R368 PolarHBondContact OD1-NH1 3.49Å; E366-R368 PolarHBondContact O-N 3.4Å; R368-Y370 VanDerWaalsContact C-N 3.25Å; R368-Y370 PolarHBondContact O-N 3.14Å; R368-I377 HydrophobicContact CB-CG2 4.45Å; R368-I377 HydrophobicContact CG-CG2 3.34Å; R368-I377 PolarHBondContact NE-O 2.94Å; R368-I377 PolarHBondContact NH2-O 2.96Å
369	H	83.8	Confident	83.3	Confident	106 Å²	106	42.5 Å²	42.5	49%	0.491	22%	0.215	S	C	.	.	H	α-helix	trans	-69.6	-21.5	-178.6	-68.8	92	0	0	0	113.9	N365 E366 I367	N365-H369 PolarHBondContact O-CE1 3.2Å; N365-H369 PolarHBondContact O-ND1 3.06Å; E366-H369 PolarHBondContact O-N 3Å; I367-H369 PolarHBondContact O-N 2.9Å; I367-H369 VanDerWaalsContact O-N 3.1Å
370	Y	81.7	Confident	82.5	Confident	34 Å²	34	44.9 Å²	44.9	13%	0.133	24%	0.242	C	C	.	.	H	α-helix	trans	-100.5	-22	-179.1	-78.8	-83.3	0	0	0	114.3	Y154 L196 R197 D320 I367 R368	Y154-Y370 HydrophobicContact CE2-CE1 4.3Å; L196-Y370 HydrophobicContact CD1-CD1 4.38Å; R197-Y370 WeakPolarHBondContact CB-O 3.33Å; R197-Y370 PolarHBondContact N-O 3.2Å; D320-Y370 HydrophobicContact CB-CE1 4.4Å; D320-Y370 HydrophobicContact CB-CE2 3.76Å; D320-Y370 PolarHBondContact OD1-OH 3.48Å; D320-Y370 WeakPolarHBondContact OD2-CE2 3.38Å; D320-Y370 PolarHBondContact OD2-OH 3.41Å; I367-Y370 PolarHBondContact O-N 3.11Å; R368-Y370 VanDerWaalsContact C-N 3.25Å; R368-Y370 PolarHBondContact O-N 3.14Å
371	L	84.5	Confident	82.1	Confident	8 Å²	8	46.2 Å²	46.2	4%	0.042	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-76.8	150.4	175.6	-60.5	-179.2	0	0	0	110.2	F193 L195 Y311 I367 V375 I377	F193-L371 HydrophobicContact CZ-CD2 4.09Å; L195-L371 HydrophobicContact CB-CD2 3.84Å; L195-L371 HydrophobicContact CD1-CD2 4.29Å; L195-L371 CarbonylContact O-C 3.47Å; L195-L371 VanDerWaalsContact O-CA 3.28Å; L195-L371 WeakPolarHBondContact O-CA 3.39Å; Y311-L371 HydrophobicContact CD1-CD1 3.99Å; Y311-L371 HydrophobicContact CE1-CD1 3.92Å; I367-L371 HydrophobicContact CG2-CD1 3.58Å; I367-L371 HydrophobicContact CG2-CD2 4.45Å; I367-L371 HydrophobicContact CG2-CG 3.84Å; I367-L371 PolarHBondContact O-N 3.4Å; L371-V375 HydrophobicContact CD1-CG1 4.11Å; L371-I377 HydrophobicContact CD1-CB 4.09Å; L371-I377 HydrophobicContact CD1-CG2 4.16Å
372	V	84.3	Confident	82.3	Confident	21 Å²	21	45.6 Å²	45.6	13%	0.127	25%	0.247	C	C	.	.			trans	-57.8	141.3	166.5	-70.6	0	0	0	0	109.8	L195 L196 K198 D374 V375	L195-V372 PolarHBondContact O-N 3.13Å; L196-V372 WeakPolarHBondContact O-CG1 3.12Å; K198-V372 HydrophobicContact CG-CG1 4.32Å; V372-D374 PolarHBondContact O-N 3.5Å; V372-V375 HydrophobicContact CG2-CB 4.18Å; V372-V375 HydrophobicContact CG2-CG2 3.66Å; V372-V375 PolarHBondContact O-N 2.85Å
373	P	77.5	Confident	82.3	Confident	97 Å²	97	45.1 Å²	45.1	63%	0.63	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-28.9	-173.9	-28.6	35.6	0	0	0	115.3	V375	P373-V375 PolarHBondContact O-N 3.39Å
374	D	76.7	Confident	82.5	Confident	159 Å²	159	45.2 Å²	45.2	85%	0.85	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-8.7	-178.8	-57.5	-24.5	0	0	0	113.4	V372	V372-D374 PolarHBondContact O-N 3.5Å
375	V	76.9	Confident	83	Confident	44 Å²	44	45.2 Å²	45.2	27%	0.267	25%	0.246	S	C	.	.			trans	-102.5	104.3	177.5	176.3	0	0	0	0	109.5	L195 Y311 L371 V372 P373	L195-V375 HydrophobicContact CD2-CG2 4.12Å; Y311-V375 HydrophobicContact CE1-CG1 4.37Å; L371-V375 HydrophobicContact CD1-CG1 4.11Å; V372-V375 HydrophobicContact CG2-CB 4.18Å; V372-V375 HydrophobicContact CG2-CG2 3.66Å; V372-V375 PolarHBondContact O-N 2.85Å; P373-V375 PolarHBondContact O-N 3.39Å
376	S	74.1	Confident	83.5	Confident	64 Å²	64	42.8 Å²	42.8	45%	0.448	23%	0.233	S	C	.	.			trans	-79.3	119.8	173.1	70.7	0	0	0	0	110.3	R378	S376-R378 PolarHBondContact OG-NE 3.29Å; S376-R378 PolarHBondContact OG-NH2 3.06Å
377	I	78.5	Confident	83.9	Confident	5 Å²	5	42.5 Å²	42.5	3%	0.026	23%	0.232	C	C	.	.			trans	-96.2	134.9	164.8	-174.3	173.6	0	0	0	110.4	L307 Y311 L364 I367 R368 L371	L307-I377 HydrophobicContact CD1-CD1 3.66Å; L307-I377 HydrophobicContact CD2-CD1 4.03Å; Y311-I377 HydrophobicContact CD1-CD1 4.25Å; Y311-I377 HydrophobicContact CE1-CB 3.94Å; Y311-I377 HydrophobicContact CE1-CD1 4.04Å; Y311-I377 HydrophobicContact CE1-CG1 3.95Å; L364-I377 HydrophobicContact CD2-CD1 3.67Å; L364-I377 HydrophobicContact CD2-CG1 3.84Å; I367-I377 HydrophobicContact CB-CD1 4.04Å; I367-I377 HydrophobicContact CD1-CD1 3.7Å; I367-I377 HydrophobicContact CG1-CD1 4.44Å; I367-I377 HydrophobicContact CG2-CD1 3.57Å; I367-I377 HydrophobicContact CG2-CG2 4.26Å; R368-I377 HydrophobicContact CB-CG2 4.45Å; R368-I377 HydrophobicContact CG-CG2 3.34Å; R368-I377 PolarHBondContact NE-O 2.94Å; R368-I377 PolarHBondContact NH2-O 2.96Å; L371-I377 HydrophobicContact CD1-CB 4.09Å; L371-I377 HydrophobicContact CD1-CG2 4.16Å
378	R	74.6	Confident	84.3	Confident	108 Å²	108	42.4 Å²	42.4	41%	0.408	23%	0.232	S	C	.	.			trans	-125.4	159	-170.5	-54.7	173.4	-170.7	177.5	0.8	111.1	S376 G380 D381	S376-R378 PolarHBondContact OG-NE 3.29Å; S376-R378 PolarHBondContact OG-NH2 3.06Å; R378-G380 PolarHBondContact O-N 2.77Å; R378-D381 PolarHBondContact N-OD2 3.09Å; R378-D381 WeakPolarHBondContact O-CB 3.49Å; R378-D381 PolarHBondContact O-N 3.2Å
379	R	79.3	Confident	84.7	Confident	37 Å²	37	39.4 Å²	39.4	14%	0.14	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-61.3	-32.1	173.6	-179.7	56.4	178.9	88.5	-3.5	113	E357 L364 D381 V382 G593	E357-R379 VanDerWaalsContact OE1-CD 3.23Å; E357-R379 WeakPolarHBondContact OE1-CD 3.4Å; E357-R379 IonicContact OE1-CZ 2.69Å; E357-R379 IonicContact OE1-NE 2.58Å; E357-R379 PolarHBondContact OE1-NE 3.14Å; E357-R379 IonicContact OE2-CZ 3.31Å; E357-R379 IonicContact OE2-NE 2.74Å; E357-R379 PolarHBondContact OE2-NE 3.1Å; E357-R379 VanDerWaalsContact OE2-NE 3.12Å; E357-R379 IonicContact OE2-NH2 3.47Å; E357-R379 PolarHBondContact OE2-NH2 3.24Å; L364-R379 HydrophobicContact CD1-CB 4.16Å; R379-D381 PolarHBondContact O-N 2.64Å; R379-V382 WeakPolarHBondContact O-CB 3.28Å; R379-V382 PolarHBondContact O-N 3.23Å; R379-V382 VanDerWaalsContact O-N 3.14Å; R379-G593 PolarHBondContact NH2-O 3.2Å
380	G	73.1	Confident	85	Confident	62 Å²	62	39 Å²	39	64%	0.639	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-65.9	-19	174.8	0	0	0	0	0	114.2	R378 V382	R378-G380 PolarHBondContact O-N 2.77Å; G380-V382 PolarHBondContact O-N 2.85Å
381	D	81	Confident	85.4	Confident	28 Å²	28	38.4 Å²	38.4	15%	0.15	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-77.2	-12.3	174.6	-56.9	-39.4	0	0	0	112.2	L307 P308 Y311 R378 R379 M383	L307-D381 HydrophobicContact CD2-CB 4.03Å; L307-D381 WeakPolarHBondContact CD2-O 3.24Å; P308-D381 WeakPolarHBondContact CD-O 3.22Å; Y311-D381 HydrophobicContact CE2-CB 4.05Å; Y311-D381 PolarHBondContact OH-OD2 3Å; R378-D381 PolarHBondContact N-OD2 3.09Å; R378-D381 WeakPolarHBondContact O-CB 3.49Å; R378-D381 PolarHBondContact O-N 3.2Å; R379-D381 PolarHBondContact O-N 2.64Å; D381-M383 WeakPolarHBondContact O-CE 3.45Å; D381-M383 PolarHBondContact O-N 3.08Å
382	V	87.3	Confident	85.6	Confident	8 Å²	8	40 Å²	40	5%	0.048	22%	0.224	C	C	.	.			trans	-77.1	106.9	178.3	179.7	0	0	0	0	109.4	I305 I306 L307 V360 L364 R379 G380 S384 A385	I305-V382 HydrophobicContact CB-CG1 4.02Å; I305-V382 HydrophobicContact CD1-CG2 4.1Å; I305-V382 HydrophobicContact CG2-CG1 4.31Å; I306-V382 CarbonylContact O-C 3.44Å; I306-V382 WeakPolarHBondContact O-CA 3.45Å; L307-V382 HydrophobicContact CD2-CG2 3.96Å; V360-V382 HydrophobicContact CG1-CG2 4.25Å; L364-V382 HydrophobicContact CD1-CG2 4.12Å; L364-V382 HydrophobicContact CD2-CG2 3.86Å; L364-V382 HydrophobicContact CG-CG2 4.35Å; R379-V382 WeakPolarHBondContact O-CB 3.28Å; R379-V382 PolarHBondContact O-N 3.23Å; R379-V382 VanDerWaalsContact O-N 3.14Å; G380-V382 PolarHBondContact O-N 2.85Å; V382-S384 WeakPolarHBondContact CG1-O 3.37Å; V382-A385 HydrophobicContact CG1-CB 4.23Å
383	M	89.9	Confident	85.6	Confident	34 Å²	34	39 Å²	39	17%	0.167	22%	0.218	C	C	.	.	S	Bend	trans	-79.7	-27.6	-177.9	-58.5	-67.3	125.1	0	0	112.3	I306 P308 M337 D381 L550 N551 T552	I306-M383 HydrophobicContact CG2-CB 4.42Å; I306-M383 PolarHBondContact O-N 2.82Å; P308-M383 HydrophobicContact CG-CE 4.21Å; M337-M383 HydrophobicContact CE-CB 4.16Å; M337-M383 HydrophobicContact CE-CG 3.65Å; D381-M383 WeakPolarHBondContact O-CE 3.45Å; D381-M383 PolarHBondContact O-N 3.08Å; M383-L550 WeakPolarHBondContact CB-O 3.3Å; M383-N551 HydrophobicContact CB-CB 4.26Å; M383-N551 WeakPolarHBondContact O-CA 3.47Å; M383-T552 PolarHBondContact O-N 2.84Å; M383-T552 PolarHBondContact O-OG1 3.42Å
384	S	96.1	Very high	85.6	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.014	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	156.5	169.4	58.7	0	0	0	0	109.9	I305 I306 V382 F549 L550	I305-S384 CarbonylContact C-O 3.59Å; I305-S384 WeakPolarHBondContact CA-O 3.39Å; I306-S384 WeakPolarHBondContact CB-OG 3.45Å; I306-S384 VanDerWaalsContact CG1-OG 3.31Å; I306-S384 WeakPolarHBondContact CG1-OG 3.36Å; I306-S384 PolarHBondContact N-O 2.8Å; V382-S384 WeakPolarHBondContact CG1-O 3.37Å; S384-F549 VanDerWaalsContact OG-C 3.24Å; S384-F549 PolarHBondContact OG-O 3.28Å; S384-L550 PolarHBondContact OG-O 2.87Å
385	A	96.5	Very high	85.1	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	139.7	172.6	0	0	0	0	0	109.2	H304 I305 P355 V360 V382 M592 G593	H304-A385 CarbonylContact O-C 3.57Å; H304-A385 WeakPolarHBondContact O-CA 3.45Å; I305-A385 HydrophobicContact CG2-CB 3.98Å; P355-A385 HydrophobicContact CB-CB 4.16Å; P355-A385 HydrophobicContact CG-CB 3.86Å; P355-A385 WeakPolarHBondContact CG-O 3.48Å; V360-A385 HydrophobicContact CG2-CB 3.76Å; V382-A385 HydrophobicContact CG1-CB 4.23Å; A385-M592 PolarHBondContact N-O 3.44Å; A385-M592 CarbonylContact O-C 3.5Å; A385-M592 WeakPolarHBondContact O-CA 3.39Å; A385-G593 PolarHBondContact O-N 2.79Å
386	W	97.3	Very high	84.3	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	149.9	-177.2	50	-94.2	0	0	0	111.3	R99 S100 V303 H304 M339 F549 M592	R99-W386 VanDerWaalsContact C-CZ3 3.45Å; R99-W386 HydrophobicContact CB-CE3 4.01Å; R99-W386 HydrophobicContact CB-CZ3 3.9Å; R99-W386 HydrophobicContact CG-CE3 4.24Å; R99-W386 WeakPolarHBondContact O-CZ3 3.36Å; S100-W386 WeakPolarHBondContact O-CH2 3.45Å; V303-W386 WeakPolarHBondContact CA-O 3.29Å; H304-W386 HydrophobicContact CB-CD2 4.18Å; H304-W386 HydrophobicContact CB-CE3 4.32Å; H304-W386 HydrophobicContact CB-CH2 3.61Å; H304-W386 HydrophobicContact CB-CZ2 3.48Å; H304-W386 VanDerWaalsContact CB-CZ2 3.48Å; H304-W386 HydrophobicContact CB-CZ3 4.04Å; H304-W386 AromaticContact CE1-CH2 3.84Å; H304-W386 AromaticContact CG-CH2 3.37Å; H304-W386 AromaticContact CG-CZ2 3.74Å; H304-W386 AromaticContact CG-CZ3 3.85Å; H304-W386 PolarHBondContact N-O 2.97Å; H304-W386 AromaticContact ND1-CH2 3.21Å; H304-W386 WeakPolarHBondContact ND1-CH2 3.48Å; H304-W386 AromaticContact ND1-CZ3 3.29Å; H304-W386 VanDerWaalsContact ND1-CZ3 3.29Å; H304-W386 WeakPolarHBondContact ND1-CZ3 2.93Å; H304-W386 PolarHBondContact O-N 3.33Å; M339-W386 HydrophobicContact SD-CH2 4.37Å; M339-W386 HydrophobicContact SD-CZ2 3.78Å; W386-F549 HydrophobicContact CB-CD1 4.46Å; W386-F549 HydrophobicContact CB-CE1 4.19Å; W386-F549 AromaticContact CD1-CD1 3.5Å; W386-F549 AromaticContact CD2-CD1 3.72Å; W386-F549 HydrophobicContact CD2-CD1 3.72Å; W386-F549 AromaticContact CD2-CE1 3.6Å; W386-F549 HydrophobicContact CD2-CE1 3.6Å; W386-F549 AromaticContact CE2-CD1 3.64Å; W386-F549 AromaticContact CE2-CE1 3.96Å; W386-F549 HydrophobicContact CE3-CE1 4.02Å; W386-F549 AromaticContact CG-CD1 3.64Å; W386-F549 HydrophobicContact CG-CD1 3.64Å; W386-F549 AromaticContact CG-CE1 3.66Å; W386-F549 HydrophobicContact CG-CE1 3.66Å; W386-F549 HydrophobicContact CZ2-CD1 4.38Å; W386-F549 AromaticContact NE1-CD1 3.5Å; W386-M592 HydrophobicContact CB-CE 3.76Å; W386-M592 HydrophobicContact CB-SD 4.3Å
387	A	96.3	Very high	83.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	148	177.7	0	0	0	0	0	110.8	R99 Q301 G302 V303 P353	R99-A387 WeakPolarHBondContact CD-O 3.47Å; R99-A387 PolarHBondContact NH1-O 3.37Å; Q301-A387 HydrophobicContact CG-CB 3.76Å; G302-A387 CarbonylContact O-C 3.56Å; G302-A387 WeakPolarHBondContact O-CA 3.34Å; V303-A387 HydrophobicContact CG2-CB 4.13Å; P353-A387 HydrophobicContact CB-CB 4.09Å
388	G	95	Very high	82.5	Confident	4 Å²	4	48.4 Å²	48.4	4%	0.041	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.5	170.8	0	0	0	0	0	111.6	Q301 G302	Q301-G388 WeakPolarHBondContact CA-O 3.22Å; G302-G388 PolarHBondContact N-O 2.96Å; G302-G388 PolarHBondContact O-N 2.7Å
389	L	94.1	Very high	81.3	Confident	6 Å²	6	50.2 Å²	50.2	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123.8	-179.5	-55.4	-173.5	0	0	0	110.8	T96 A280 S300 Q301 C347 I349 T350 P353	T96-L389 VanDerWaalsContact CB-O 3.32Å; T96-L389 WeakPolarHBondContact CB-O 3.47Å; T96-L389 WeakPolarHBondContact CG2-O 3.46Å; T96-L389 PolarHBondContact OG1-O 3.36Å; A280-L389 HydrophobicContact CB-CB 4.13Å; S300-L389 CarbonylContact O-C 3.15Å; S300-L389 WeakPolarHBondContact O-CA 3.31Å; Q301-L389 HydrophobicContact CB-CD2 4.18Å; Q301-L389 HydrophobicContact CG-CD2 4.35Å; C347-L389 VanDerWaalsContact SG-CD2 3.56Å; I349-L389 HydrophobicContact CD1-CD1 3.82Å; T350-L389 HydrophobicContact CG2-CD1 4.25Å; T350-L389 VanDerWaalsContact O-CD1 3.29Å; T350-L389 WeakPolarHBondContact O-CD1 3.45Å; P353-L389 HydrophobicContact CB-CD2 4.15Å; P353-L389 HydrophobicContact CB-CG 4.2Å
390	R	90.8	Very high	79.8	Confident	98 Å²	98	54.1 Å²	54.1	37%	0.37	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	121.3	178.5	-62.9	173	67.1	-177.7	-10.2	109.1	P299 S300 D344 L392	P299-R390 WeakPolarHBondContact CA-O 3.46Å; S300-R390 PolarHBondContact N-O 2.57Å; S300-R390 VanDerWaalsContact N-O 3.16Å; S300-R390 PolarHBondContact O-N 3.08Å; D344-R390 VanDerWaalsContact CG-NH1 3.33Å; D344-R390 IonicContact OD1-NH1 3.91Å; D344-R390 IonicContact OD2-CZ 2.79Å; D344-R390 IonicContact OD2-NH1 3.57Å; D344-R390 PolarHBondContact OD2-NH1 3.49Å; D344-R390 IonicContact OD2-NH2 2.73Å; R390-L392 VanDerWaalsContact C-N 3.35Å; R390-L392 HydrophobicContact CB-CD2 4.14Å; R390-L392 HydrophobicContact CB-CG 4.34Å; R390-L392 PolarHBondContact O-N 3.07Å
391	P	90	Very high	78.2	Confident	22 Å²	22	56.2 Å²	56.2	14%	0.143	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	80.1	178.7	31.9	-34.4	0	0	0	110.4	A280 V297 G422	A280-P391 HydrophobicContact CB-CB 4.34Å; V297-P391 HydrophobicContact CG1-CB 3.91Å; V297-P391 HydrophobicContact CG2-CB 4.41Å; P391-G422 WeakPolarHBondContact O-CA 3.47Å
392	L	88.4	Confident	76.3	Confident	41 Å²	41	59.2 Å²	59.2	22%	0.215	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	128.9	179.4	-50.7	176.8	0	0	0	109.6	V297 V298 R390 L404	V297-L392 CarbonylContact C-O 3.55Å; V297-L392 WeakPolarHBondContact CA-O 3.49Å; V298-L392 PolarHBondContact N-O 3.44Å; V298-L392 WeakPolarHBondContact O-CB 3.43Å; V298-L392 PolarHBondContact O-N 3.13Å; R390-L392 VanDerWaalsContact C-N 3.35Å; R390-L392 HydrophobicContact CB-CD2 4.14Å; R390-L392 HydrophobicContact CB-CG 4.34Å; R390-L392 PolarHBondContact O-N 3.07Å; L392-L404 HydrophobicContact CB-CD1 3.84Å; L392-L404 HydrophobicContact CB-CD2 4.07Å; L392-L404 HydrophobicContact CB-CG 4.36Å; L392-L404 HydrophobicContact CD1-CD1 3.66Å; L392-L404 HydrophobicContact CG-CD1 4.35Å
393	V	84.9	Confident	74.4	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	129.6	-175.5	172	0	0	0	0	110	V297 L404 A405 I409 A421	V297-V393 HydrophobicContact CG2-CG2 4.33Å; V393-L404 CarbonylContact O-C 3.53Å; V393-L404 WeakPolarHBondContact O-CA 3.01Å; V393-L404 WeakPolarHBondContact O-CD2 3.44Å; V393-A405 HydrophobicContact CG1-CB 4.37Å; V393-A405 PolarHBondContact O-N 3.3Å; V393-I409 HydrophobicContact CG1-CD1 3.35Å; V393-I409 HydrophobicContact CG1-CG1 3.73Å; V393-I409 HydrophobicContact CG1-CG2 4.04Å; V393-I409 HydrophobicContact CG2-CG1 4.23Å; V393-A421 HydrophobicContact CG2-CB 3.99Å
394	R	76.4	Confident	72.7	Confident	105 Å²	105	61.4 Å²	61.4	40%	0.396	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-65.5	135.4	168.4	-65.1	-173.5	176.9	179.8	-0.2	109.1	L296 V298 P396 L404	L296-R394 PolarHBondContact O-N 3.49Å; V298-R394 HydrophobicContact CG2-CG 3.6Å; R394-P396 WeakPolarHBondContact O-CD 3.46Å; R394-L404 HydrophobicContact CG-CD2 4.45Å
395	D	66.6	Low	70.7	Confident	39 Å²	39	62.7 Å²	62.7	21%	0.209	34%	0.342	C	S	.	.			trans	-76.3	107.1	169	-175.2	-11.6	0	0	0	108.3	K397 K398 S403 A405	D395-K397 PolarHBondContact O-N 2.9Å; D395-K397 VanDerWaalsContact O-N 3.13Å; D395-K397 WeakPolarHBondContact OD1-CB 3.34Å; D395-K397 PolarHBondContact OD1-N 3.34Å; D395-K398 HydrophobicContact CB-CB 4.22Å; D395-K398 HydrophobicContact CB-CD 4.44Å; D395-K398 HydrophobicContact CB-CG 4.42Å; D395-K398 PolarHBondContact O-N 2.75Å; D395-K398 VanDerWaalsContact O-N 3.1Å; D395-K398 VanDerWaalsContact O-O 3.09Å; D395-K398 VanDerWaalsContact OD2-CD 3.3Å; D395-K398 WeakPolarHBondContact OD2-CD 3.24Å; D395-K398 WeakPolarHBondContact OD2-CE 3.44Å; D395-K398 WeakPolarHBondContact OD2-CG 3.21Å; D395-K398 IonicContact OD2-NZ 2.88Å; D395-S403 WeakPolarHBondContact CB-O 3.45Å; D395-A405 HydrophobicContact CB-CB 4.42Å
396	P	60.3	Low	69.1	Low	110 Å²	110	70.8 Å²	70.8	71%	0.714	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.6	-177.4	27.5	-34.2	0	0	0	112.7	R394 K398	R394-P396 WeakPolarHBondContact O-CD 3.46Å; P396-K398 VanDerWaalsContact C-N 3.34Å
397	K	58.1	Low	67.9	Low	196 Å²	196	73.5 Å²	73.5	85%	0.852	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-8	178.1	-62.5	-177.1	-180	179.9	0	113	D395	D395-K397 PolarHBondContact O-N 2.9Å; D395-K397 VanDerWaalsContact O-N 3.13Å; D395-K397 WeakPolarHBondContact OD1-CB 3.34Å; D395-K397 PolarHBondContact OD1-N 3.34Å
398	K	55.9	Low	67.6	Low	117 Å²	117	74.9 Å²	74.9	51%	0.509	39%	0.394	S	S	.	.			trans	-119.7	131.9	-178.7	-67.1	-176.6	-176.3	176	0	110.2	D395 P396 D400 S403	D395-K398 HydrophobicContact CB-CB 4.22Å; D395-K398 HydrophobicContact CB-CD 4.44Å; D395-K398 HydrophobicContact CB-CG 4.42Å; D395-K398 PolarHBondContact O-N 2.75Å; D395-K398 VanDerWaalsContact O-N 3.1Å; D395-K398 VanDerWaalsContact O-O 3.09Å; D395-K398 VanDerWaalsContact OD2-CD 3.3Å; D395-K398 WeakPolarHBondContact OD2-CD 3.24Å; D395-K398 WeakPolarHBondContact OD2-CE 3.44Å; D395-K398 WeakPolarHBondContact OD2-CG 3.21Å; D395-K398 IonicContact OD2-NZ 2.88Å; P396-K398 VanDerWaalsContact C-N 3.34Å; K398-D400 VanDerWaalsContact C-N 3.29Å; K398-S403 WeakPolarHBondContact CD-OG 3.41Å
399	T	50.5	Low	67.4	Low	145 Å²	145	76.8 Å²	76.8	89%	0.89	40%	0.402	S	S	*	.	S	Bend	trans	-70.2	-27.1	174.3	40.1	0	0	0	0	112.5	T401	T399-T401 PolarHBondContact O-N 2.78Å
400	D	46.7	Very low	67.5	Low	119 Å²	119	78.8 Å²	78.8	64%	0.636	41%	0.413	S	S	*	.			trans	-77.2	112.9	178.6	-81.9	-20.8	0	0	0	111.8	K398 A402 S403	K398-D400 VanDerWaalsContact C-N 3.29Å; D400-A402 PolarHBondContact O-N 2.86Å; D400-A402 VanDerWaalsContact O-N 3.11Å; D400-S403 PolarHBondContact O-N 3.41Å; D400-S403 PolarHBondContact O-OG 3.29Å; D400-S403 VanDerWaalsContact O-OG 3.11Å
401	T	40.8	Very low	67.7	Low	106 Å²	106	77 Å²	77	65%	0.65	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.5	176	51.3	0	0	0	0	113.4	T399	T399-T401 PolarHBondContact O-N 2.78Å
402	A	41.1	Very low	68	Low	92 Å²	92	78.7 Å²	78.7	76%	0.76	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-25.3	-178.8	0	0	0	0	0	113.5	D400 L404	D400-A402 PolarHBondContact O-N 2.86Å; D400-A402 VanDerWaalsContact O-N 3.11Å; A402-L404 VanDerWaalsContact C-N 3.32Å; A402-L404 PolarHBondContact O-N 2.86Å; A402-L404 VanDerWaalsContact O-N 3.09Å
403	S	47.6	Very low	68.3	Low	37 Å²	37	78.1 Å²	78.1	26%	0.259	42%	0.418	S	S	.	.			trans	-88.7	67.1	-179.7	58.1	0	0	0	0	112.2	D395 K398 D400 A405	D395-S403 WeakPolarHBondContact CB-O 3.45Å; K398-S403 WeakPolarHBondContact CD-OG 3.41Å; D400-S403 PolarHBondContact O-N 3.41Å; D400-S403 PolarHBondContact O-OG 3.29Å; D400-S403 VanDerWaalsContact O-OG 3.11Å; S403-A405 PolarHBondContact O-N 3.34Å
404	L	52.7	Low	68.6	Low	50 Å²	50	83.3 Å²	83.3	26%	0.262	46%	0.461	S	S	.	.			trans	-63.8	131.3	176.6	-65.6	158.9	0	0	0	110.5	V298 L392 V393 R394 A402 R406	V298-L404 HydrophobicContact CB-CD2 4.38Å; V298-L404 HydrophobicContact CG2-CD2 4.37Å; L392-L404 HydrophobicContact CB-CD1 3.84Å; L392-L404 HydrophobicContact CB-CD2 4.07Å; L392-L404 HydrophobicContact CB-CG 4.36Å; L392-L404 HydrophobicContact CD1-CD1 3.66Å; L392-L404 HydrophobicContact CG-CD1 4.35Å; V393-L404 CarbonylContact O-C 3.53Å; V393-L404 WeakPolarHBondContact O-CA 3.01Å; V393-L404 WeakPolarHBondContact O-CD2 3.44Å; R394-L404 HydrophobicContact CG-CD2 4.45Å; A402-L404 VanDerWaalsContact C-N 3.32Å; A402-L404 PolarHBondContact O-N 2.86Å; A402-L404 VanDerWaalsContact O-N 3.09Å; L404-R406 PolarHBondContact O-N 3.33Å
405	A	55.7	Low	69.4	Low	30 Å²	30	78.6 Å²	78.6	25%	0.248	45%	0.445	C	S	.	.	B	Isolated β-bridge	trans	-67.2	121.8	172.9	0	0	0	0	0	108.2	V393 D395 S403 N407	V393-A405 HydrophobicContact CG1-CB 4.37Å; V393-A405 PolarHBondContact O-N 3.3Å; D395-A405 HydrophobicContact CB-CB 4.42Å; S403-A405 PolarHBondContact O-N 3.34Å; A405-N407 PolarHBondContact O-N 3.43Å
406	R	61.9	Low	70.8	Confident	170 Å²	170	81 Å²	81	64%	0.642	45%	0.453	S	S	*	.			trans	-84.2	-1.5	179.4	-58.6	-173.3	-151.6	-148.9	5.5	113.4	L404	L404-R406 PolarHBondContact O-N 3.33Å
407	N	73.4	Confident	72.6	Confident	56 Å²	56	75.9 Å²	75.9	30%	0.299	42%	0.42	S	S	.	.	S	Bend	trans	-87.3	169.1	173	-77.7	-16.6	0	0	0	110.7	M125 A405	M125-N407 WeakPolarHBondContact CE-OD1 3.11Å; M125-N407 WeakPolarHBondContact CG-OD1 3.28Å; M125-N407 PolarHBondContact SD-OD1 3.33Å; A405-N407 PolarHBondContact O-N 3.43Å
408	H	89	Confident	74.5	Confident	30 Å²	30	66.6 Å²	66.6	14%	0.139	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	160	161.3	71.4	-83.9	0	0	0	109.5	I420 A421 M431 E434	H408-I420 HydrophobicContact CB-CD1 3.97Å; H408-I420 WeakPolarHBondContact CD2-CD1 3.48Å; H408-A421 CarbonylContact C-O 3.48Å; H408-A421 WeakPolarHBondContact CA-O 3.47Å; H408-A421 WeakPolarHBondContact CB-O 3.31Å; H408-M431 HydrophobicContact CB-CG 4.11Å; H408-M431 HydrophobicContact CB-SD 3.57Å; H408-M431 VanDerWaalsContact CB-SD 3.57Å; H408-M431 WeakPolarHBondContact ND1-CG 3.48Å; H408-E434 IonicContact CE1-OE2 2.92Å; H408-E434 PolarHBondContact CE1-OE2 2.98Å; H408-E434 IonicContact NE2-OE2 3.64Å; H408-E434 PolarHBondContact NE2-OE2 3.31Å
409	I	91.8	Very high	76.5	Confident	43 Å²	43	61.1 Å²	61.1	22%	0.221	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147.3	171.7	60	168	0	0	0	109.4	L296 V393 I420 A421	L296-I409 HydrophobicContact CD1-CD1 3.36Å; L296-I409 HydrophobicContact CD2-CD1 3.63Å; L296-I409 HydrophobicContact CD2-CG1 4.31Å; L296-I409 HydrophobicContact CG-CD1 3.64Å; V393-I409 HydrophobicContact CG1-CD1 3.35Å; V393-I409 HydrophobicContact CG1-CG1 3.73Å; V393-I409 HydrophobicContact CG1-CG2 4.04Å; V393-I409 HydrophobicContact CG2-CG1 4.23Å; I409-I420 WeakPolarHBondContact O-CA 3.38Å; I409-A421 HydrophobicContact CG1-CB 4.18Å; I409-A421 PolarHBondContact N-O 2.96Å; I409-A421 PolarHBondContact O-N 2.8Å
410	I	95.2	Very high	78.8	Confident	49 Å²	49	54.4 Å²	54.4	25%	0.251	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	112.6	171.6	-60.7	163.4	0	0	0	107.1	I418 T419 I420 E434 K438	I410-I418 HydrophobicContact CG2-CG2 3.75Å; I410-T419 CarbonylContact C-O 3.58Å; I410-T419 WeakPolarHBondContact CA-O 3.43Å; I410-I420 HydrophobicContact CD1-CD1 4.31Å; I410-I420 HydrophobicContact CG1-CD1 3.55Å; I410-E434 HydrophobicContact CD1-CB 3.68Å; I410-K438 HydrophobicContact CG2-CB 4.15Å; I410-K438 HydrophobicContact CG2-CG 3.84Å
411	E	95.1	Very high	81	Confident	60 Å²	60	48.8 Å²	48.8	28%	0.28	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	141.6	176	-173.1	-174.7	-179	0	0	109.6	R286 I418 T419	R286-E411 IonicContact CZ-OE1 2.9Å; R286-E411 IonicContact CZ-OE2 3.69Å; R286-E411 IonicContact NE-OE1 3.89Å; R286-E411 IonicContact NE-OE2 3.65Å; R286-E411 PolarHBondContact NE-OE2 3.41Å; R286-E411 IonicContact NH2-OE1 3.91Å; R286-E411 PolarHBondContact NH2-OE1 3.47Å; R286-E411 IonicContact NH2-OE2 3.81Å; R286-E411 PolarHBondContact NH2-OE2 2.91Å; E411-I418 CarbonylContact O-C 3.56Å; E411-I418 WeakPolarHBondContact O-CA 3.14Å; E411-T419 PolarHBondContact N-O 3.1Å; E411-T419 PolarHBondContact O-N 2.84Å
412	V	96.5	Very high	83.4	Confident	57 Å²	57	44.2 Å²	44.2	35%	0.345	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	118.7	174.8	-175.2	0	0	0	0	107.3	L417 I418 K438 V442	V412-L417 WeakPolarHBondContact CA-O 3.44Å; V412-I418 HydrophobicContact CG2-CG1 4.37Å; V412-K438 HydrophobicContact CG2-CD 4.11Å; V412-K438 HydrophobicContact CG2-CG 3.94Å; V412-V442 HydrophobicContact CG1-CG1 3.71Å; V412-V442 HydrophobicContact CG1-CG2 4.06Å; V412-V442 HydrophobicContact CG2-CG2 3.93Å
413	S	95.1	Very high	85.6	Confident	30 Å²	30	41.3 Å²	41.3	21%	0.21	24%	0.237	C	C	.	.			trans	-72.2	167.5	176.9	79.8	0	0	0	0	111.6	D289 G415 K416 L417	D289-S413 WeakPolarHBondContact OD2-CB 3.43Å; D289-S413 PolarHBondContact OD2-OG 3.11Å; S413-G415 PolarHBondContact O-N 3.25Å; S413-G415 PolarHBondContact OG-N 2.92Å; S413-G415 VanDerWaalsContact OG-N 3.16Å; S413-K416 WeakPolarHBondContact O-CA 3.47Å; S413-K416 PolarHBondContact O-N 2.85Å; S413-K416 PolarHBondContact OG-N 3.14Å; S413-L417 PolarHBondContact N-O 3.14Å; S413-L417 WeakPolarHBondContact OG-CB 3.34Å; S413-L417 PolarHBondContact OG-N 3.18Å
414	A	91.5	Very high	87.6	Confident	109 Å²	109	41.8 Å²	41.8	90%	0.901	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-34.1	170.3	0	0	0	0	0	112	K416	A414-K416 PolarHBondContact O-N 3.31Å
415	G	92.3	Very high	89.6	Confident	6 Å²	6	40.8 Å²	40.8	6%	0.062	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	7.6	173.1	0	0	0	0	0	114.8	R252 V253 S413 L417	R252-G415 CarbonylContact C-O 3.49Å; R252-G415 VanDerWaalsContact CA-O 3.29Å; R252-G415 WeakPolarHBondContact CA-O 3.31Å; V253-G415 PolarHBondContact N-O 2.59Å; S413-G415 PolarHBondContact O-N 3.25Å; S413-G415 PolarHBondContact OG-N 2.92Å; S413-G415 VanDerWaalsContact OG-N 3.16Å; G415-L417 PolarHBondContact O-N 3.03Å
416	K	95.8	Very high	91.5	Very high	90 Å²	90	39.5 Å²	39.5	39%	0.391	22%	0.217	S	C	.	.			trans	59	24.3	-174.5	-59.1	-172	171.9	-162.4	0	114.5	S413 A414 I418 V442	S413-K416 WeakPolarHBondContact O-CA 3.47Å; S413-K416 PolarHBondContact O-N 2.85Å; S413-K416 PolarHBondContact OG-N 3.14Å; A414-K416 PolarHBondContact O-N 3.31Å; K416-I418 PolarHBondContact O-N 3.5Å; K416-V442 HydrophobicContact CB-CG1 3.89Å; K416-V442 HydrophobicContact CD-CG1 3.94Å; K416-V442 HydrophobicContact CG-CG1 3.9Å; K416-V442 PolarHBondContact NZ-O 2.76Å
417	L	98.1	Very high	93	Very high	2 Å²	2	32 Å²	32	1%	0.01	19%	0.19	C	C	.	.			trans	-70	124.1	165.6	-179.4	66.8	0	0	0	108.4	L241 V253 V274 N276 I285 D289 V412 S413 G415	L241-L417 HydrophobicContact CD1-CD2 4.06Å; V253-L417 HydrophobicContact CG2-CB 4.11Å; V274-L417 HydrophobicContact CB-CD1 4.09Å; V274-L417 HydrophobicContact CG1-CD1 3.79Å; N276-L417 HydrophobicContact CB-CD1 4.33Å; I285-L417 HydrophobicContact CG2-CD2 4.21Å; D289-L417 HydrophobicContact CB-CD2 4.11Å; V412-L417 WeakPolarHBondContact CA-O 3.44Å; S413-L417 PolarHBondContact N-O 3.14Å; S413-L417 WeakPolarHBondContact OG-CB 3.34Å; S413-L417 PolarHBondContact OG-N 3.18Å; G415-L417 PolarHBondContact O-N 3.03Å
418	I	98.6	Very high	94.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	118.6	177.4	-58.1	-177.1	0	0	0	108.3	V274 V275 N276 I410 E411 V412 K416 T435 K438 A439 V442	V274-I418 PolarHBondContact O-N 2.87Å; V274-I418 VanDerWaalsContact O-N 3.17Å; V275-I418 CarbonylContact C-O 3.35Å; V275-I418 WeakPolarHBondContact CA-O 3.45Å; V275-I418 HydrophobicContact CG2-CB 4.42Å; N276-I418 PolarHBondContact N-O 3.24Å; I410-I418 HydrophobicContact CG2-CG2 3.75Å; E411-I418 CarbonylContact O-C 3.56Å; E411-I418 WeakPolarHBondContact O-CA 3.14Å; V412-I418 HydrophobicContact CG2-CG1 4.37Å; K416-I418 PolarHBondContact O-N 3.5Å; I418-T435 HydrophobicContact CG2-CG2 4.23Å; I418-K438 HydrophobicContact CD1-CG 4.47Å; I418-A439 HydrophobicContact CD1-CB 3.82Å; I418-V442 HydrophobicContact CD1-CB 4.2Å; I418-V442 HydrophobicContact CD1-CG1 4.46Å
419	T	98.4	Very high	94.5	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.018	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	125	176.2	-59.9	0	0	0	0	110.8	N276 C282 R286 L296 I410 E411	N276-T419 HydrophobicContact CB-CG2 4.25Å; N276-T419 VanDerWaalsContact ND2-CG2 3.32Å; N276-T419 WeakPolarHBondContact ND2-CG2 3.49Å; N276-T419 PolarHBondContact ND2-OG1 2.99Å; N276-T419 WeakPolarHBondContact O-CA 3.44Å; C282-T419 HydrophobicContact CB-CG2 3.97Å; R286-T419 HydrophobicContact CG-CG2 4.15Å; L296-T419 HydrophobicContact CD2-CG2 4.44Å; I410-T419 CarbonylContact C-O 3.58Å; I410-T419 WeakPolarHBondContact CA-O 3.43Å; E411-T419 PolarHBondContact N-O 3.1Å; E411-T419 PolarHBondContact O-N 2.84Å
420	I	97.1	Very high	94.6	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.021	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	120	171.2	175.1	71.7	0	0	0	108.6	T69 V275 N276 A277 H408 I409 I410 M431 T435	T69-I420 HydrophobicContact CG2-CB 4.26Å; T69-I420 HydrophobicContact CG2-CG1 3.54Å; T69-I420 HydrophobicContact CG2-CG2 3.6Å; V275-I420 HydrophobicContact CG1-CG2 4.26Å; N276-I420 WeakPolarHBondContact O-CG2 3.37Å; N276-I420 PolarHBondContact O-N 3.41Å; A277-I420 HydrophobicContact CB-CG2 3.72Å; H408-I420 HydrophobicContact CB-CD1 3.97Å; H408-I420 WeakPolarHBondContact CD2-CD1 3.48Å; I409-I420 WeakPolarHBondContact O-CA 3.38Å; I410-I420 HydrophobicContact CD1-CD1 4.31Å; I410-I420 HydrophobicContact CG1-CD1 3.55Å; I420-M431 HydrophobicContact CD1-CB 4.4Å; I420-T435 HydrophobicContact CB-CG2 4.3Å; I420-T435 HydrophobicContact CG2-CG2 4.2Å
421	A	93.6	Very high	94.7	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	148.9	-178.3	0	0	0	0	0	111.7	L296 V297 V393 H408 I409	L296-A421 HydrophobicContact CD2-CB 3.73Å; L296-A421 HydrophobicContact CG-CB 4.43Å; V297-A421 HydrophobicContact CG2-CB 3.95Å; V393-A421 HydrophobicContact CG2-CB 3.99Å; H408-A421 CarbonylContact C-O 3.48Å; H408-A421 WeakPolarHBondContact CA-O 3.47Å; H408-A421 WeakPolarHBondContact CB-O 3.31Å; I409-A421 HydrophobicContact CG1-CB 4.18Å; I409-A421 PolarHBondContact N-O 2.96Å; I409-A421 PolarHBondContact O-N 2.8Å
422	G	90.9	Very high	94.8	Very high	10 Å²	10	23.3 Å²	23.3	10%	0.103	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.2	-154.8	178.8	0	0	0	0	0	115	P391	P391-G422 WeakPolarHBondContact O-CA 3.47Å
423	G	88.3	Confident	94.9	Very high	30 Å²	30	23 Å²	23	31%	0.309	14%	0.139	S	C	.	.			trans	80.3	-166.2	-178.1	0	0	0	0	0	115.3
424	K	89.7	Confident	95	Very high	47 Å²	47	24.9 Å²	24.9	20%	0.204	15%	0.145	C	C	.	.			trans	-127.8	151.8	-174	-64.2	173.3	-172.7	161.9	0	110.5	T426 T427 Y428 M431	K424-T426 PolarHBondContact O-N 3.04Å; K424-T427 PolarHBondContact O-N 3.48Å; K424-T427 PolarHBondContact O-OG1 2.87Å; K424-Y428 PolarHBondContact O-N 3.26Å; K424-M431 WeakPolarHBondContact O-CE 3.29Å
425	W	93.9	Very high	95.4	Very high	29 Å²	29	19.7 Å²	19.7	11%	0.11	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-53.4	-44.2	173.1	-157.3	104.4	0	0	0	111.3	A68 S97 L136 H212 M217 T427 Y428	A68-W425 HydrophobicContact CB-CD2 4.49Å; A68-W425 HydrophobicContact CB-CG 4.39Å; A68-W425 HydrophobicContact CB-CZ2 4.33Å; S97-W425 PolarHBondContact O-NE1 2.98Å; L136-W425 HydrophobicContact CD1-CE3 4.18Å; L136-W425 HydrophobicContact CD1-CZ3 3.59Å; L136-W425 HydrophobicContact CD2-CH2 4.01Å; L136-W425 HydrophobicContact CD2-CZ3 3.72Å; L136-W425 HydrophobicContact CG-CZ3 4.3Å; H212-W425 AromaticContact CE1-CD2 3.22Å; H212-W425 AromaticContact CE1-CE2 3.37Å; H212-W425 AromaticContact CE1-CE3 3.08Å; H212-W425 AromaticContact CE1-CH2 3.6Å; H212-W425 AromaticContact CE1-CZ2 3.57Å; H212-W425 AromaticContact CE1-CZ3 3.28Å; H212-W425 WeakPolarHBondContact CE1-CZ3 3.38Å; H212-W425 AromaticContact ND1-CE3 3.69Å; H212-W425 AromaticContact ND1-CH2 3.64Å; H212-W425 AromaticContact ND1-CZ2 3.94Å; H212-W425 AromaticContact ND1-CZ3 3.4Å; H212-W425 WeakPolarHBondContact ND1-CZ3 3.25Å; H212-W425 AromaticContact NE2-CD2 3.91Å; H212-W425 AromaticContact NE2-CE3 3.82Å; M217-W425 HydrophobicContact CB-CH2 3.81Å; M217-W425 HydrophobicContact CB-CZ2 3.82Å; M217-W425 HydrophobicContact CG-CH2 3.08Å; M217-W425 HydrophobicContact CG-CZ2 3.59Å; M217-W425 HydrophobicContact CG-CZ3 4.02Å; W425-T427 VanDerWaalsContact C-N 3.26Å; W425-T427 PolarHBondContact O-N 3.21Å; W425-Y428 HydrophobicContact CH2-CD1 4.35Å; W425-Y428 HydrophobicContact CH2-CE1 4.45Å; W425-Y428 HydrophobicContact CZ3-CD1 4.23Å; W425-Y428 HydrophobicContact CZ3-CE1 4.44Å; W425-Y428 WeakPolarHBondContact O-CB 3.4Å; W425-Y428 WeakPolarHBondContact O-CD1 3.44Å; W425-Y428 PolarHBondContact O-N 3.34Å
426	T	94.4	Very high	95.7	Very high	4 Å²	4	19.4 Å²	19.4	3%	0.025	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-52.5	-39.7	176.8	-56	0	0	0	0	113.6	I104 H105 A129 E132 R133 K424	I104-T426 WeakPolarHBondContact CA-OG1 3.37Å; I104-T426 HydrophobicContact CG2-CG2 3.6Å; H105-T426 PolarHBondContact N-OG1 3.37Å; H105-T426 VanDerWaalsContact N-OG1 3.14Å; A129-T426 HydrophobicContact CB-CG2 4.42Å; E132-T426 HydrophobicContact CB-CG2 4.18Å; E132-T426 WeakPolarHBondContact CB-O 3.13Å; R133-T426 HydrophobicContact CB-CG2 4.23Å; K424-T426 PolarHBondContact O-N 3.04Å
427	T	93.9	Very high	95.8	Very high	12 Å²	12	18.5 Å²	18.5	7%	0.074	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-96.3	12.3	-172.9	56.4	0	0	0	0	113.5	A129 E132 K424 W425 R429 H430 M431	A129-T427 HydrophobicContact CB-CG2 4.37Å; E132-T427 HydrophobicContact CG-CG2 4.49Å; K424-T427 PolarHBondContact O-N 3.48Å; K424-T427 PolarHBondContact O-OG1 2.87Å; W425-T427 VanDerWaalsContact C-N 3.26Å; W425-T427 PolarHBondContact O-N 3.21Å; T427-R429 PolarHBondContact O-N 3.08Å; T427-R429 VanDerWaalsContact O-N 3.1Å; T427-H430 PolarHBondContact O-N 2.77Å; T427-H430 VanDerWaalsContact O-N 3.13Å; T427-M431 WeakPolarHBondContact O-CG 3.17Å; T427-M431 PolarHBondContact O-N 2.79Å
428	Y	96.4	Very high	95.9	Very high	5 Å²	5	21.5 Å²	21.5	2%	0.02	11%	0.111	C	C	.	.	H	α-helix	trans	-50.8	-39.5	-175	83.8	-75.7	0	0	0	113.6	A68 L136 L221 K424 W425 M431 A432	A68-Y428 WeakPolarHBondContact O-CD2 3.44Å; L136-Y428 HydrophobicContact CD1-CE1 4.25Å; L136-Y428 HydrophobicContact CD2-CE1 3.6Å; L136-Y428 HydrophobicContact CG-CE1 4.07Å; L221-Y428 HydrophobicContact CD1-CD2 3.7Å; L221-Y428 HydrophobicContact CD1-CE2 3.37Å; L221-Y428 HydrophobicContact CD1-CG 4.46Å; L221-Y428 HydrophobicContact CD2-CE2 3.51Å; L221-Y428 WeakPolarHBondContact CD2-OH 3.35Å; L221-Y428 HydrophobicContact CG-CE2 4.09Å; K424-Y428 PolarHBondContact O-N 3.26Å; W425-Y428 HydrophobicContact CH2-CD1 4.35Å; W425-Y428 HydrophobicContact CH2-CE1 4.45Å; W425-Y428 HydrophobicContact CZ3-CD1 4.23Å; W425-Y428 HydrophobicContact CZ3-CE1 4.44Å; W425-Y428 WeakPolarHBondContact O-CB 3.4Å; W425-Y428 WeakPolarHBondContact O-CD1 3.44Å; W425-Y428 PolarHBondContact O-N 3.34Å; Y428-M431 VanDerWaalsContact CA-CE 3.46Å; Y428-M431 PolarHBondContact O-N 3.32Å; Y428-A432 VanDerWaalsContact O-CB 3.32Å; Y428-A432 WeakPolarHBondContact O-CB 3.39Å; Y428-A432 PolarHBondContact O-N 3.02Å
429	R	97.1	Very high	95.9	Very high	14 Å²	14	21.5 Å²	21.5	5%	0.053	11%	0.112	C	C	.	.	H	α-helix	trans	-67.6	-45.1	-177.8	-170.4	-155.6	68.5	73.1	4.7	111.8	E132 H135 T427 A432 E433 T453	E132-R429 IonicContact OE1-CZ 3.33Å; E132-R429 VanDerWaalsContact OE1-CZ 3.28Å; E132-R429 IonicContact OE1-NE 3.48Å; E132-R429 PolarHBondContact OE1-NE 3.09Å; E132-R429 VanDerWaalsContact OE1-NE 3.11Å; E132-R429 IonicContact OE1-NH2 3.96Å; E132-R429 PolarHBondContact OE1-NH2 3.39Å; E132-R429 WeakPolarHBondContact OE2-CB 3.37Å; E132-R429 IonicContact OE2-CZ 3.08Å; E132-R429 IonicContact OE2-NE 2.71Å; E132-R429 PolarHBondContact OE2-NE 2.68Å; H135-R429 WeakPolarHBondContact NE2-CD 3.45Å; T427-R429 PolarHBondContact O-N 3.08Å; T427-R429 VanDerWaalsContact O-N 3.1Å; R429-A432 WeakPolarHBondContact O-CB 3.42Å; R429-A432 PolarHBondContact O-N 2.85Å; R429-E433 IonicContact CZ-OE2 2.77Å; R429-E433 IonicContact NH1-OE2 2.99Å; R429-E433 PolarHBondContact NH1-OE2 2.89Å; R429-E433 IonicContact NH2-OE2 3.02Å; R429-E433 PolarHBondContact NH2-OE2 2.99Å; R429-E433 WeakPolarHBondContact O-CB 3.41Å; R429-E433 PolarHBondContact O-N 2.99Å; R429-T453 VanDerWaalsContact CG-OG1 3.27Å; R429-T453 WeakPolarHBondContact CG-OG1 3.38Å; R429-T453 PolarHBondContact NH1-OG1 3.18Å
430	H	95.2	Very high	95.9	Very high	34 Å²	34	23 Å²	23	16%	0.157	12%	0.12	C	C	.	.	H	α-helix	trans	-66.2	-42.1	176.7	-178.5	-107.9	0	0	0	111.1	E128 E132 T427 A432 E433 E434	E128-H430 HydrophobicContact CG-CB 4.39Å; E128-H430 IonicContact OE1-CE1 3.84Å; E128-H430 IonicContact OE1-CG 2.86Å; E128-H430 VanDerWaalsContact OE1-CG 3.28Å; E128-H430 IonicContact OE1-ND1 3.53Å; E128-H430 PolarHBondContact OE1-ND1 2.99Å; E128-H430 IonicContact OE2-CE1 2.96Å; E128-H430 IonicContact OE2-ND1 3.61Å; E128-H430 PolarHBondContact OE2-ND1 3.48Å; E132-H430 HydrophobicContact CG-CB 4.5Å; T427-H430 PolarHBondContact O-N 2.77Å; T427-H430 VanDerWaalsContact O-N 3.13Å; H430-A432 VanDerWaalsContact C-N 3.28Å; H430-A432 PolarHBondContact O-N 3.16Å; H430-E433 WeakPolarHBondContact O-CB 3.5Å; H430-E433 PolarHBondContact O-N 3Å; H430-E433 VanDerWaalsContact O-N 3.15Å; H430-E434 IonicContact CE1-OE1 3.67Å; H430-E434 IonicContact CE1-OE2 3.09Å; H430-E434 PolarHBondContact CE1-OE2 3.4Å; H430-E434 IonicContact ND1-OE2 3.91Å; H430-E434 PolarHBondContact ND1-OE2 2.71Å; H430-E434 IonicContact NE2-OE2 3.25Å; H430-E434 PolarHBondContact O-N 3.02Å
431	M	96.4	Very high	95.9	Very high	2 Å²	2	29 Å²	29	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-57.8	-42.2	173.1	-63.5	-170.5	-63.6	0	0	112	H408 I420 K424 T427 Y428 T435	H408-M431 HydrophobicContact CB-CG 4.11Å; H408-M431 HydrophobicContact CB-SD 3.57Å; H408-M431 VanDerWaalsContact CB-SD 3.57Å; H408-M431 WeakPolarHBondContact ND1-CG 3.48Å; I420-M431 HydrophobicContact CD1-CB 4.4Å; K424-M431 WeakPolarHBondContact O-CE 3.29Å; T427-M431 WeakPolarHBondContact O-CG 3.17Å; T427-M431 PolarHBondContact O-N 2.79Å; Y428-M431 VanDerWaalsContact CA-CE 3.46Å; Y428-M431 PolarHBondContact O-N 3.32Å; M431-T435 VanDerWaalsContact O-CB 3.29Å; M431-T435 WeakPolarHBondContact O-CB 3.45Å; M431-T435 PolarHBondContact O-N 2.87Å; M431-T435 PolarHBondContact O-OG1 3.04Å
432	A	98.6	Very high	96.1	Very high	1 Å²	1	30 Å²	30	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-63.5	-45.9	175.3	0	0	0	0	0	112	G72 V73 Y428 R429 H430 E434 T435 V436	G72-A432 WeakPolarHBondContact O-CB 3.23Å; V73-A432 HydrophobicContact CG2-CB 4.02Å; V73-A432 VanDerWaalsContact N-CB 3.33Å; Y428-A432 VanDerWaalsContact O-CB 3.32Å; Y428-A432 WeakPolarHBondContact O-CB 3.39Å; Y428-A432 PolarHBondContact O-N 3.02Å; R429-A432 WeakPolarHBondContact O-CB 3.42Å; R429-A432 PolarHBondContact O-N 2.85Å; H430-A432 VanDerWaalsContact C-N 3.28Å; H430-A432 PolarHBondContact O-N 3.16Å; A432-E434 PolarHBondContact O-N 2.8Å; A432-T435 PolarHBondContact O-N 3.49Å; A432-V436 WeakPolarHBondContact O-CG2 3.47Å; A432-V436 PolarHBondContact O-N 3.21Å
433	E	97.9	Very high	96.4	Very high	50 Å²	50	30.4 Å²	30.4	23%	0.234	16%	0.156	C	C	.	.	H	α-helix	trans	-57.5	-48.3	177.8	176.8	171.3	-173.8	0	0	112.2	D76 R80 R429 H430 V436 N437 C451	D76-E433 WeakPolarHBondContact OD2-CA 3.16Å; R80-E433 PolarHBondContact NH2-O 3.32Å; R429-E433 IonicContact CZ-OE2 2.77Å; R429-E433 IonicContact NH1-OE2 2.99Å; R429-E433 PolarHBondContact NH1-OE2 2.89Å; R429-E433 IonicContact NH2-OE2 3.02Å; R429-E433 PolarHBondContact NH2-OE2 2.99Å; R429-E433 WeakPolarHBondContact O-CB 3.41Å; R429-E433 PolarHBondContact O-N 2.99Å; H430-E433 WeakPolarHBondContact O-CB 3.5Å; H430-E433 PolarHBondContact O-N 3Å; H430-E433 VanDerWaalsContact O-N 3.15Å; E433-V436 PolarHBondContact O-N 3.23Å; E433-N437 WeakPolarHBondContact O-CB 3.4Å; E433-N437 PolarHBondContact O-N 3.46Å; E433-N437 PolarHBondContact O-ND2 3.13Å; E433-N437 PolarHBondContact O-OD1 3.46Å; E433-C451 HydrophobicContact CG-CB 3.85Å
434	E	97.7	Very high	96.7	Very high	69 Å²	69	34.1 Å²	34.1	32%	0.322	17%	0.169	S	C	.	.	H	α-helix	trans	-64.9	-40.3	176.9	-68.3	-166.4	104.3	0	0	111.9	H408 I410 H430 A432 N437 K438	H408-E434 IonicContact CE1-OE2 2.92Å; H408-E434 PolarHBondContact CE1-OE2 2.98Å; H408-E434 IonicContact NE2-OE2 3.64Å; H408-E434 PolarHBondContact NE2-OE2 3.31Å; I410-E434 HydrophobicContact CD1-CB 3.68Å; H430-E434 IonicContact CE1-OE1 3.67Å; H430-E434 IonicContact CE1-OE2 3.09Å; H430-E434 PolarHBondContact CE1-OE2 3.4Å; H430-E434 IonicContact ND1-OE2 3.91Å; H430-E434 PolarHBondContact ND1-OE2 2.71Å; H430-E434 IonicContact NE2-OE2 3.25Å; H430-E434 PolarHBondContact O-N 3.02Å; A432-E434 PolarHBondContact O-N 2.8Å; E434-N437 PolarHBondContact O-N 3.32Å; E434-K438 WeakPolarHBondContact O-CB 3.16Å; E434-K438 PolarHBondContact O-N 2.88Å
435	T	98.8	Very high	97.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.6	-44.2	178.6	-57.7	0	0	0	0	111.6	V73 V275 I418 I420 M431 A432 K438 A439	V73-T435 HydrophobicContact CG2-CG2 3.89Å; V275-T435 HydrophobicContact CG1-CG2 3.58Å; V275-T435 HydrophobicContact CG2-CG2 4.44Å; I418-T435 HydrophobicContact CG2-CG2 4.23Å; I420-T435 HydrophobicContact CB-CG2 4.3Å; I420-T435 HydrophobicContact CG2-CG2 4.2Å; M431-T435 VanDerWaalsContact O-CB 3.29Å; M431-T435 WeakPolarHBondContact O-CB 3.45Å; M431-T435 PolarHBondContact O-N 2.87Å; M431-T435 PolarHBondContact O-OG1 3.04Å; A432-T435 PolarHBondContact O-N 3.49Å; T435-K438 PolarHBondContact O-N 3Å; T435-A439 WeakPolarHBondContact O-CB 3.49Å; T435-A439 PolarHBondContact O-N 2.9Å
436	V	98.8	Very high	97.3	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-70.9	-36.3	178	178.3	0	0	0	0	111.1	V73 D76 A77 L82 A432 E433 K438 A439 V440	V73-V436 HydrophobicContact CB-CG2 4.49Å; V73-V436 HydrophobicContact CG1-CG2 3.89Å; D76-V436 HydrophobicContact CB-CG2 4.12Å; D76-V436 WeakPolarHBondContact OD2-CB 3.42Å; A77-V436 HydrophobicContact CB-CG1 4.33Å; A77-V436 HydrophobicContact CB-CG2 4.11Å; L82-V436 HydrophobicContact CD1-CG1 4.3Å; A432-V436 WeakPolarHBondContact O-CG2 3.47Å; A432-V436 PolarHBondContact O-N 3.21Å; E433-V436 PolarHBondContact O-N 3.23Å; V436-K438 VanDerWaalsContact C-N 3.3Å; V436-K438 PolarHBondContact O-N 2.99Å; V436-A439 WeakPolarHBondContact O-CB 3.46Å; V436-A439 PolarHBondContact O-N 3.37Å; V436-V440 HydrophobicContact CG1-CG2 4.44Å; V436-V440 VanDerWaalsContact O-CG2 3.29Å; V436-V440 WeakPolarHBondContact O-CG2 3.31Å; V436-V440 PolarHBondContact O-N 3.07Å
437	N	98.7	Very high	97.4	Very high	72 Å²	72	39.8 Å²	39.8	39%	0.385	20%	0.198	S	C	.	.	H	α-helix	trans	-57.6	-45.6	170.9	-70.8	-16.8	0	0	0	110.9	R80 E433 E434 V440 E441	R80-N437 PolarHBondContact NH1-OD1 3.1Å; R80-N437 PolarHBondContact NH2-OD1 3.19Å; E433-N437 WeakPolarHBondContact O-CB 3.4Å; E433-N437 PolarHBondContact O-N 3.46Å; E433-N437 PolarHBondContact O-ND2 3.13Å; E433-N437 PolarHBondContact O-OD1 3.46Å; E434-N437 PolarHBondContact O-N 3.32Å; N437-V440 PolarHBondContact O-N 3.02Å; N437-E441 PolarHBondContact O-N 3.15Å; N437-E441 VanDerWaalsContact O-N 3.07Å
438	K	98.6	Very high	97.4	Very high	64 Å²	64	47.8 Å²	47.8	28%	0.278	23%	0.232	S	C	.	.	H	α-helix	trans	-65.6	-38.5	176.7	-171.4	58.4	63.1	-168.6	0	112.2	I410 V412 I418 E434 T435 V436 E441 V442	I410-K438 HydrophobicContact CG2-CB 4.15Å; I410-K438 HydrophobicContact CG2-CG 3.84Å; V412-K438 HydrophobicContact CG2-CD 4.11Å; V412-K438 HydrophobicContact CG2-CG 3.94Å; I418-K438 HydrophobicContact CD1-CG 4.47Å; E434-K438 WeakPolarHBondContact O-CB 3.16Å; E434-K438 PolarHBondContact O-N 2.88Å; T435-K438 PolarHBondContact O-N 3Å; V436-K438 VanDerWaalsContact C-N 3.3Å; V436-K438 PolarHBondContact O-N 2.99Å; K438-E441 VanDerWaalsContact NZ-CD 3.31Å; K438-E441 IonicContact NZ-OE1 3.71Å; K438-E441 PolarHBondContact NZ-OE1 3.33Å; K438-E441 IonicContact NZ-OE2 3.71Å; K438-E441 PolarHBondContact NZ-OE2 3.32Å; K438-E441 PolarHBondContact O-N 3.42Å; K438-V442 HydrophobicContact CD-CG2 3.65Å; K438-V442 HydrophobicContact CG-CG2 4.01Å; K438-V442 WeakPolarHBondContact O-CB 3.27Å; K438-V442 VanDerWaalsContact O-CG2 3.27Å; K438-V442 WeakPolarHBondContact O-CG2 3.14Å; K438-V442 PolarHBondContact O-N 2.77Å
439	A	98.7	Very high	97.2	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-60.8	-44	174.3	0	0	0	0	0	112.8	I418 T435 V436 E441 C443 L445	I418-A439 HydrophobicContact CD1-CB 3.82Å; T435-A439 WeakPolarHBondContact O-CB 3.49Å; T435-A439 PolarHBondContact O-N 2.9Å; V436-A439 WeakPolarHBondContact O-CB 3.46Å; V436-A439 PolarHBondContact O-N 3.37Å; A439-E441 VanDerWaalsContact C-N 3.35Å; A439-C443 WeakPolarHBondContact O-CB 3.48Å; A439-C443 PolarHBondContact O-N 2.72Å; A439-C443 VanDerWaalsContact O-N 3.07Å; A439-L445 HydrophobicContact CB-CD1 4.34Å
440	V	98.7	Very high	96.9	Very high	33 Å²	33	51.3 Å²	51.3	20%	0.2	26%	0.264	C	S	.	.	H	α-helix	trans	-60.8	-45.2	175.9	169.2	0	0	0	0	111.1	L82 V436 N437 D444 L445 P447	L82-V440 HydrophobicContact CD1-CG2 4.23Å; V436-V440 HydrophobicContact CG1-CG2 4.44Å; V436-V440 VanDerWaalsContact O-CG2 3.29Å; V436-V440 WeakPolarHBondContact O-CG2 3.31Å; V436-V440 PolarHBondContact O-N 3.07Å; N437-V440 PolarHBondContact O-N 3.02Å; V440-D444 VanDerWaalsContact O-CA 3.29Å; V440-D444 WeakPolarHBondContact O-CA 3.38Å; V440-D444 PolarHBondContact O-N 3.19Å; V440-D444 VanDerWaalsContact O-N 3.12Å; V440-L445 HydrophobicContact CG2-CB 4.24Å; V440-L445 PolarHBondContact O-N 2.79Å; V440-L445 VanDerWaalsContact O-N 3.1Å; V440-P447 HydrophobicContact CG1-CG 4.08Å; V440-P447 HydrophobicContact CG2-CG 3.92Å
441	E	98.1	Very high	96.8	Very high	130 Å²	130	50.8 Å²	50.8	61%	0.607	26%	0.264	S	S	*	.	H	α-helix	trans	-64.8	-52.9	178.7	-177.7	-166.5	148.5	0	0	112.6	N437 K438 A439	N437-E441 PolarHBondContact O-N 3.15Å; N437-E441 VanDerWaalsContact O-N 3.07Å; K438-E441 VanDerWaalsContact NZ-CD 3.31Å; K438-E441 IonicContact NZ-OE1 3.71Å; K438-E441 PolarHBondContact NZ-OE1 3.33Å; K438-E441 IonicContact NZ-OE2 3.71Å; K438-E441 PolarHBondContact NZ-OE2 3.32Å; K438-E441 PolarHBondContact O-N 3.42Å; A439-E441 VanDerWaalsContact C-N 3.35Å
442	V	96.6	Very high	96.6	Very high	23 Å²	23	51.5 Å²	51.5	14%	0.139	27%	0.268	C	S	.	.	H	α-helix	trans	-72.1	-37	-170.8	169.7	0	0	0	0	112.3	V412 K416 I418 K438	V412-V442 HydrophobicContact CG1-CG1 3.71Å; V412-V442 HydrophobicContact CG1-CG2 4.06Å; V412-V442 HydrophobicContact CG2-CG2 3.93Å; K416-V442 HydrophobicContact CB-CG1 3.89Å; K416-V442 HydrophobicContact CD-CG1 3.94Å; K416-V442 HydrophobicContact CG-CG1 3.9Å; K416-V442 PolarHBondContact NZ-O 2.76Å; I418-V442 HydrophobicContact CD1-CB 4.2Å; I418-V442 HydrophobicContact CD1-CG1 4.46Å; K438-V442 HydrophobicContact CD-CG2 3.65Å; K438-V442 HydrophobicContact CG-CG2 4.01Å; K438-V442 WeakPolarHBondContact O-CB 3.27Å; K438-V442 VanDerWaalsContact O-CG2 3.27Å; K438-V442 WeakPolarHBondContact O-CG2 3.14Å; K438-V442 PolarHBondContact O-N 2.77Å
443	C	96.8	Very high	96.4	Very high	19 Å²	19	51.8 Å²	51.8	13%	0.128	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	8.7	-176.2	-66.6	0	0	0	0	113.7	K272 C273 A439 L445	K272-C443 PolarHBondContact O-SG 2.83Å; C273-C443 HydrophobicContact CB-CB 3.82Å; C273-C443 VanDerWaalsContact CB-SG 3.59Å; C273-C443 VanDerWaalsContact SG-SG 3.63Å; A439-C443 WeakPolarHBondContact O-CB 3.48Å; A439-C443 PolarHBondContact O-N 2.72Å; A439-C443 VanDerWaalsContact O-N 3.07Å; C443-L445 HydrophobicContact CB-CD2 3.97Å; C443-L445 HydrophobicContact CB-CG 3.99Å; C443-L445 PolarHBondContact O-N 3.05Å
444	D	96.6	Very high	96	Very high	108 Å²	108	50.3 Å²	50.3	58%	0.578	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	42.1	-178.5	-165.1	37.6	0	0	0	113.6	V440 K446	V440-D444 VanDerWaalsContact O-CA 3.29Å; V440-D444 WeakPolarHBondContact O-CA 3.38Å; V440-D444 PolarHBondContact O-N 3.19Å; V440-D444 VanDerWaalsContact O-N 3.12Å; D444-K446 IonicContact OD1-NZ 2.65Å; D444-K446 PolarHBondContact OD1-NZ 3.12Å; D444-K446 IonicContact OD2-NZ 3.88Å; D444-K446 PolarHBondContact OD2-NZ 3.03Å
445	L	98.1	Very high	95.5	Very high	7 Å²	7	47.3 Å²	47.3	4%	0.037	25%	0.254	C	S	.	.			trans	-71.5	152.5	179.6	-50.7	176.9	0	0	0	110.2	V61 L82 K272 C273 A439 V440 C443 P447	V61-L445 HydrophobicContact CG2-CD1 3.66Å; L82-L445 HydrophobicContact CD1-CD1 4.14Å; L82-L445 HydrophobicContact CD2-CB 4.02Å; K272-L445 HydrophobicContact CB-CD2 3.84Å; K272-L445 HydrophobicContact CD-CD2 4.13Å; C273-L445 HydrophobicContact CB-CD1 4.09Å; A439-L445 HydrophobicContact CB-CD1 4.34Å; V440-L445 HydrophobicContact CG2-CB 4.24Å; V440-L445 PolarHBondContact O-N 2.79Å; V440-L445 VanDerWaalsContact O-N 3.1Å; C443-L445 HydrophobicContact CB-CD2 3.97Å; C443-L445 HydrophobicContact CB-CG 3.99Å; C443-L445 PolarHBondContact O-N 3.05Å; L445-P447 VanDerWaalsContact C-CD 3.49Å; L445-P447 WeakPolarHBondContact O-CD 3.33Å
446	K	97.3	Very high	95.1	Very high	150 Å²	150	47.9 Å²	47.9	65%	0.652	26%	0.257	S	S	*	.			trans	-115.4	77.4	-178.4	-53.5	-58.6	177.7	-167.2	0	110.7	D444	D444-K446 IonicContact OD1-NZ 2.65Å; D444-K446 PolarHBondContact OD1-NZ 3.12Å; D444-K446 IonicContact OD2-NZ 3.88Å; D444-K446 PolarHBondContact OD2-NZ 3.03Å
447	P	96.7	Very high	94.9	Very high	42 Å²	42	49.5 Å²	49.5	27%	0.273	26%	0.264	S	S	.	.			trans	-66.4	150.5	176.5	29.9	-35.5	0	0	0	111	R80 L82 V440 L445 N449	R80-P447 HydrophobicContact CB-CB 3.88Å; R80-P447 CarbonylContact O-C 3.58Å; L82-P447 HydrophobicContact CD1-CB 4.49Å; L82-P447 HydrophobicContact CD2-CB 4.16Å; L82-P447 HydrophobicContact CG-CB 4.26Å; V440-P447 HydrophobicContact CG1-CG 4.08Å; V440-P447 HydrophobicContact CG2-CG 3.92Å; L445-P447 VanDerWaalsContact C-CD 3.49Å; L445-P447 WeakPolarHBondContact O-CD 3.33Å; P447-N449 VanDerWaalsContact C-N 3.31Å
448	K	93.3	Very high	94.7	Very high	180 Å²	180	46.2 Å²	46.2	78%	0.783	25%	0.247	S	C	*	.	S	Bend	trans	-74.2	-24.4	177.4	-64.1	-178.3	-178	177.2	0	112.7	R80	R80-K448 PolarHBondContact O-N 3.06Å
449	N	92	Very high	94.6	Very high	45 Å²	45	43.8 Å²	43.8	24%	0.241	24%	0.236	C	C	.	.	S	Bend	trans	-154.8	166.1	-175.8	53.3	-73.7	0	0	0	110.9	T79 R80 P447 V452	T79-N449 PolarHBondContact O-ND2 3.1Å; T79-N449 PolarHBondContact O-OD1 2.92Å; R80-N449 WeakPolarHBondContact CG-O 3.4Å; P447-N449 VanDerWaalsContact C-N 3.31Å; N449-V452 WeakPolarHBondContact ND2-CG1 3.45Å
450	G	91.7	Very high	94.4	Very high	48 Å²	48	43.8 Å²	43.8	50%	0.495	24%	0.237	S	C	.	.	S	Bend	trans	-72.6	-175.7	168.7	0	0	0	0	0	112.8	V452	G450-V452 PolarHBondContact O-N 3.04Å
451	C	93.3	Very high	94	Very high	23 Å²	23	42.4 Å²	42.4	16%	0.155	23%	0.229	C	C	.	.			trans	-56.5	131.7	176.9	-168.5	0	0	0	0	111.7	D76 E433 T453	D76-C451 PolarHBondContact OD1-SG 2.93Å; E433-C451 HydrophobicContact CG-CB 3.85Å; C451-T453 PolarHBondContact SG-OG1 3.19Å
452	V	92.1	Very high	93.5	Very high	16 Å²	16	40.5 Å²	40.5	10%	0.097	22%	0.216	C	C	.	.			trans	-125.4	8.4	178.4	-65.1	0	0	0	0	113.1	F35 N449 G450 A454	F35-V452 HydrophobicContact CE2-CB 4.21Å; F35-V452 HydrophobicContact CE2-CG1 3.93Å; F35-V452 HydrophobicContact CE2-CG2 3.99Å; F35-V452 HydrophobicContact CZ-CG1 4.23Å; F35-V452 HydrophobicContact CZ-CG2 4Å; N449-V452 WeakPolarHBondContact ND2-CG1 3.45Å; G450-V452 PolarHBondContact O-N 3.04Å; V452-A454 VanDerWaalsContact C-N 3.33Å; V452-A454 PolarHBondContact O-N 3.23Å
453	T	93.2	Very high	93.1	Very high	8 Å²	8	47.7 Å²	47.7	5%	0.049	25%	0.246	C	C	.	.			trans	-72.5	-24.6	-175	58.3	0	0	0	0	113.3	L75 D76 H135 R429 C451 G455 L456	L75-T453 HydrophobicContact CG-CG2 4.3Å; D76-T453 HydrophobicContact CB-CG2 3.77Å; H135-T453 PolarHBondContact CE1-O 3.06Å; H135-T453 VanDerWaalsContact CE1-O 3.31Å; R429-T453 VanDerWaalsContact CG-OG1 3.27Å; R429-T453 WeakPolarHBondContact CG-OG1 3.38Å; R429-T453 PolarHBondContact NH1-OG1 3.18Å; C451-T453 PolarHBondContact SG-OG1 3.19Å; T453-G455 PolarHBondContact O-N 2.88Å; T453-G455 VanDerWaalsContact O-N 3.11Å; T453-L456 WeakPolarHBondContact O-CB 3.44Å; T453-L456 PolarHBondContact O-N 3.25Å; T453-L456 VanDerWaalsContact O-N 3.09Å
454	A	90.8	Very high	93	Very high	18 Å²	18	48.9 Å²	48.9	15%	0.149	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	112	175.6	0	0	0	0	0	110.7	F24 F131 V452	F24-A454 HydrophobicContact CE1-CB 3.74Å; F24-A454 HydrophobicContact CZ-CB 3.79Å; F131-A454 HydrophobicContact CZ-CB 4.45Å; V452-A454 VanDerWaalsContact C-N 3.33Å; V452-A454 PolarHBondContact O-N 3.23Å
455	G	87.3	Confident	92.8	Very high	7 Å²	7	48.8 Å²	48.8	7%	0.072	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	1.6	-175.8	0	0	0	0	0	115	H135 T453 M457	H135-G455 PolarHBondContact CE1-N 3.1Å; H135-G455 PolarHBondContact ND1-N 3.19Å; T453-G455 PolarHBondContact O-N 2.88Å; T453-G455 VanDerWaalsContact O-N 3.11Å; G455-M457 PolarHBondContact O-N 3.16Å
456	L	90.9	Very high	92.4	Very high	12 Å²	12	52.4 Å²	52.4	6%	0.063	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-75.1	116.3	176.6	-175.9	151.3	0	0	0	110.4	L75 T79 V139 T224 Y228 T453 L458	L75-L456 HydrophobicContact CD1-CD2 4.42Å; L75-L456 HydrophobicContact CD2-CD2 4.32Å; T79-L456 HydrophobicContact CG2-CD1 3.89Å; V139-L456 VanDerWaalsContact CB-O 3.3Å; V139-L456 WeakPolarHBondContact CB-O 3.25Å; V139-L456 VanDerWaalsContact CG1-O 3.31Å; V139-L456 WeakPolarHBondContact CG1-O 3.13Å; T224-L456 HydrophobicContact CG2-CD2 3.65Å; Y228-L456 HydrophobicContact CE2-CD1 3.91Å; Y228-L456 HydrophobicContact CE2-CD2 4.08Å; Y228-L456 HydrophobicContact CE2-CG 4.36Å; T453-L456 WeakPolarHBondContact O-CB 3.44Å; T453-L456 PolarHBondContact O-N 3.25Å; T453-L456 VanDerWaalsContact O-N 3.09Å; L456-L458 HydrophobicContact CD2-CD2 4.19Å; L456-L458 PolarHBondContact O-N 3.43Å
457	M	92.8	Very high	92.3	Very high	33 Å²	33	49.4 Å²	49.4	16%	0.163	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-64.6	130	-179.9	-65.3	-59.2	-65.1	0	0	111.7	P141 G455 G461 R462	P141-M457 HydrophobicContact CG-CE 4.41Å; G455-M457 PolarHBondContact O-N 3.16Å; M457-G461 WeakPolarHBondContact CE-O 3.4Å; M457-R462 HydrophobicContact CB-CG 3.76Å; M457-R462 HydrophobicContact CG-CG 4.35Å
458	L	95.6	Very high	92.3	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.021	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-82.9	165.5	178.6	-55.3	-174.2	0	0	0	111.9	L75 V139 A140 M217 S220 L221 T224 L456 G460 G461	L75-L458 HydrophobicContact CD2-CD2 3.98Å; V139-L458 HydrophobicContact CB-CG 4.39Å; V139-L458 HydrophobicContact CG2-CD1 4.24Å; V139-L458 HydrophobicContact CG2-CG 4.08Å; V139-L458 PolarHBondContact O-N 3.27Å; A140-L458 HydrophobicContact CB-CB 4.34Å; A140-L458 HydrophobicContact CB-CD1 4.13Å; A140-L458 HydrophobicContact CB-CG 4.49Å; M217-L458 HydrophobicContact SD-CD1 3.93Å; S220-L458 WeakPolarHBondContact OG-CB 3.45Å; L221-L458 HydrophobicContact CD2-CD1 3.62Å; L221-L458 HydrophobicContact CD2-CD2 3.72Å; L221-L458 HydrophobicContact CD2-CG 4.35Å; L221-L458 HydrophobicContact CG-CD1 4.06Å; T224-L458 HydrophobicContact CG2-CD2 4.29Å; T224-L458 WeakPolarHBondContact OG1-CA 3.29Å; L456-L458 HydrophobicContact CD2-CD2 4.19Å; L456-L458 PolarHBondContact O-N 3.43Å; L458-G460 PolarHBondContact O-N 3.01Å; L458-G461 PolarHBondContact O-N 3.44Å
459	E	95.2	Very high	92.5	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.056	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	126.5	-179.8	-176.4	78.9	174.3	0	0	109.6	H142 S220 L223 T224 R227 K493	H142-E459 PolarHBondContact CE1-O 3.14Å; H142-E459 PolarHBondContact NE2-O 3.19Å; S220-E459 PolarHBondContact OG-N 2.8Å; S220-E459 VanDerWaalsContact OG-N 3.17Å; S220-E459 PolarHBondContact OG-O 2.83Å; L223-E459 HydrophobicContact CB-CB 4.06Å; L223-E459 HydrophobicContact CB-CG 4.06Å; L223-E459 HydrophobicContact CD1-CG 4.16Å; T224-E459 PolarHBondContact OG1-N 3.27Å; R227-E459 IonicContact CZ-OE1 3.03Å; R227-E459 IonicContact NE-OE1 3.49Å; R227-E459 PolarHBondContact NE-OE1 3.04Å; R227-E459 IonicContact NE-OE2 2.74Å; R227-E459 PolarHBondContact NE-OE2 2.92Å; R227-E459 IonicContact NH2-OE1 3.62Å; R227-E459 PolarHBondContact NH2-OE1 3.25Å; E459-K493 WeakPolarHBondContact OE1-CE 3.45Å
460	G	94.8	Very high	92.8	Very high	2 Å²	2	42.9 Å²	42.9	2%	0.021	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.3	-19.8	-174.9	0	0	0	0	0	114.6	L458 G491 D492	L458-G460 PolarHBondContact O-N 3.01Å; G460-G491 CarbonylContact O-C 3.38Å; G460-G491 WeakPolarHBondContact O-CA 3.42Å; G460-D492 WeakPolarHBondContact CA-OD1 3.29Å; G460-D492 PolarHBondContact O-N 3.08Å
461	G	91.9	Very high	93	Very high	3 Å²	3	47 Å²	47	3%	0.031	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-31	-171.6	0	0	0	0	0	115.8	H142 M457 L458 K463 Y464	H142-G461 PolarHBondContact CE1-N 2.87Å; H142-G461 VanDerWaalsContact CE1-N 3.34Å; M457-G461 WeakPolarHBondContact CE-O 3.4Å; L458-G461 PolarHBondContact O-N 3.44Å; G461-K463 PolarHBondContact O-N 2.88Å; G461-Y464 PolarHBondContact O-N 2.81Å
462	R	87.2	Confident	93.2	Very high	90 Å²	90	46 Å²	46	34%	0.34	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-48.2	-164.9	-69.6	-172.3	-177.3	122.1	10.7	115.3	E32 N36 M457	E32-R462 IonicContact OE1-NE 3.75Å; E32-R462 PolarHBondContact OE1-NE 2.96Å; N36-R462 PolarHBondContact OD1-NH2 3.32Å; M457-R462 HydrophobicContact CB-CG 3.76Å; M457-R462 HydrophobicContact CG-CG 4.35Å
463	K	88.4	Confident	93.5	Very high	175 Å²	175	47 Å²	47	76%	0.761	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.6	22.8	179.8	-60.9	-179.5	179.7	-178.6	0	112.2	G461 D492	G461-K463 PolarHBondContact O-N 2.88Å; K463-D492 HydrophobicContact CB-CB 3.7Å; K463-D492 PolarHBondContact N-OD2 3.48Å; K463-D492 VanDerWaalsContact N-OD2 3.09Å
464	Y	93.7	Very high	93.7	Very high	44 Å²	44	52.4 Å²	52.4	17%	0.173	25%	0.249	C	C	.	.			trans	-76.8	144.3	176.7	175	-103	0	0	0	111.3	P141 H142 G461 L468 A487	P141-Y464 HydrophobicContact CB-CD1 4.02Å; P141-Y464 HydrophobicContact CB-CE1 4.16Å; P141-Y464 HydrophobicContact CG-CD1 3.72Å; P141-Y464 HydrophobicContact CG-CE1 4.37Å; H142-Y464 HydrophobicContact CB-CD1 4.06Å; H142-Y464 HydrophobicContact CB-CD2 3.61Å; H142-Y464 HydrophobicContact CB-CE1 4.05Å; H142-Y464 HydrophobicContact CB-CE2 3.6Å; H142-Y464 HydrophobicContact CB-CG 3.81Å; G461-Y464 PolarHBondContact O-N 2.81Å; Y464-L468 HydrophobicContact CD2-CD1 4.36Å; Y464-A487 VanDerWaalsContact CE2-O 3.31Å; Y464-A487 WeakPolarHBondContact CE2-O 3.37Å
465	H	91.6	Very high	93.9	Very high	106 Å²	106	56.2 Å²	56.2	49%	0.491	27%	0.267	S	S	.	.			trans	-144.4	145.6	169.7	174.3	-93.7	0	0	0	108.6	L467 L468	H465-L467 VanDerWaalsContact CE1-CB 3.5Å; H465-L467 WeakPolarHBondContact CE1-CB 3.12Å; H465-L467 VanDerWaalsContact CE1-CG 3.45Å; H465-L467 WeakPolarHBondContact CE1-CG 3.1Å; H465-L467 WeakPolarHBondContact ND1-CB 3.48Å; H465-L467 PolarHBondContact ND1-N 3.29Å; H465-L467 PolarHBondContact O-N 3.38Å; H465-L468 WeakPolarHBondContact O-CB 3.41Å; H465-L468 PolarHBondContact O-N 3.3Å
466	P	91.3	Very high	94.4	Very high	83 Å²	83	58.2 Å²	58.2	54%	0.539	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-28.4	-176.8	-29.8	37.1	0	0	0	115.3	Y469	P466-Y469 VanDerWaalsContact O-CD1 3.26Å; P466-Y469 WeakPolarHBondContact O-CD1 3.41Å; P466-Y469 WeakPolarHBondContact O-CE1 3.41Å
467	L	95.3	Very high	94.6	Very high	87 Å²	87	58.1 Å²	58.1	46%	0.455	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	10.9	177.3	-54.5	-179.2	0	0	0	114.2	H465 Y469 I470	H465-L467 VanDerWaalsContact CE1-CB 3.5Å; H465-L467 WeakPolarHBondContact CE1-CB 3.12Å; H465-L467 VanDerWaalsContact CE1-CG 3.45Å; H465-L467 WeakPolarHBondContact CE1-CG 3.1Å; H465-L467 WeakPolarHBondContact ND1-CB 3.48Å; H465-L467 PolarHBondContact ND1-N 3.29Å; H465-L467 PolarHBondContact O-N 3.38Å; L467-Y469 HydrophobicContact CD2-CE1 4.11Å; L467-Y469 PolarHBondContact O-N 3.06Å; L467-I470 HydrophobicContact CB-CD1 4.06Å; L467-I470 HydrophobicContact CB-CG1 4.43Å; L467-I470 HydrophobicContact CD1-CD1 4.48Å; L467-I470 HydrophobicContact CD2-CD1 4.09Å; L467-I470 HydrophobicContact CG-CD1 4.43Å; L467-I470 WeakPolarHBondContact O-CB 3.43Å; L467-I470 PolarHBondContact O-N 3.44Å
468	L	96	Very high	94.8	Very high	7 Å²	7	56.5 Å²	56.5	4%	0.037	27%	0.268	C	S	.	.	H	α-helix	trans	-57.2	-33	-179	-176.8	151.6	0	0	0	112.4	Y464 H465 I470 R471 L472 A487 A494 Y495	Y464-L468 HydrophobicContact CD2-CD1 4.36Å; H465-L468 WeakPolarHBondContact O-CB 3.41Å; H465-L468 PolarHBondContact O-N 3.3Å; L468-I470 PolarHBondContact O-N 3.12Å; L468-R471 WeakPolarHBondContact O-CB 3.09Å; L468-R471 PolarHBondContact O-N 2.91Å; L468-R471 VanDerWaalsContact O-N 3.08Å; L468-L472 HydrophobicContact CD2-CD1 3.57Å; L468-L472 HydrophobicContact CD2-CD2 4.34Å; L468-L472 HydrophobicContact CD2-CG 3.78Å; L468-L472 PolarHBondContact O-N 3.08Å; L468-A487 HydrophobicContact CB-CB 4.36Å; L468-A487 HydrophobicContact CD2-CB 3.61Å; L468-A494 HydrophobicContact CD2-CB 4.01Å; L468-Y495 HydrophobicContact CD1-CE2 3.82Å; L468-Y495 HydrophobicContact CD2-CE2 4.43Å; L468-Y495 HydrophobicContact CG-CE2 4.05Å
469	Y	97.1	Very high	94.9	Very high	62 Å²	62	58.4 Å²	58.4	24%	0.243	28%	0.278	C	S	.	.	H	α-helix	trans	-57.7	-32.1	176.4	71.3	-90.6	0	0	0	112.7	P466 L467 R471 L472 V473 F480	P466-Y469 VanDerWaalsContact O-CD1 3.26Å; P466-Y469 WeakPolarHBondContact O-CD1 3.41Å; P466-Y469 WeakPolarHBondContact O-CE1 3.41Å; L467-Y469 HydrophobicContact CD2-CE1 4.11Å; L467-Y469 PolarHBondContact O-N 3.06Å; Y469-R471 VanDerWaalsContact C-N 3.31Å; Y469-R471 PolarHBondContact O-N 3.03Å; Y469-L472 PolarHBondContact O-N 2.95Å; Y469-V473 WeakPolarHBondContact O-CG2 3.36Å; Y469-V473 PolarHBondContact O-N 3.1Å; Y469-F480 HydrophobicContact CD2-CD2 4.21Å; Y469-F480 AromaticContact CD2-CE2 3.87Å; Y469-F480 HydrophobicContact CD2-CE2 3.87Å; Y469-F480 HydrophobicContact CE2-CD2 4.2Å; Y469-F480 AromaticContact CE2-CE2 3.56Å; Y469-F480 HydrophobicContact CE2-CE2 3.56Å
470	I	97.8	Very high	95	Very high	60 Å²	60	63.6 Å²	63.6	31%	0.308	30%	0.3	S	S	.	.	H	α-helix	trans	-62.4	-42.1	177.9	-59.6	-177.1	0	0	0	110.3	L467 L468 V473 Q474	L467-I470 HydrophobicContact CB-CD1 4.06Å; L467-I470 HydrophobicContact CB-CG1 4.43Å; L467-I470 HydrophobicContact CD1-CD1 4.48Å; L467-I470 HydrophobicContact CD2-CD1 4.09Å; L467-I470 HydrophobicContact CG-CD1 4.43Å; L467-I470 WeakPolarHBondContact O-CB 3.43Å; L467-I470 PolarHBondContact O-N 3.44Å; L468-I470 PolarHBondContact O-N 3.12Å; I470-V473 PolarHBondContact O-N 3.2Å; I470-Q474 HydrophobicContact CG2-CG 4.26Å; I470-Q474 WeakPolarHBondContact O-CB 3.32Å; I470-Q474 VanDerWaalsContact O-CG 3.29Å; I470-Q474 WeakPolarHBondContact O-CG 3.46Å; I470-Q474 PolarHBondContact O-N 3.2Å
471	R	97.2	Very high	95	Very high	136 Å²	136	65.8 Å²	65.8	51%	0.513	31%	0.311	S	S	.	.	H	α-helix	trans	-65.7	-40.4	176.2	-69	-63.2	-171.2	-143.3	4.2	111.7	L468 Y469 V473 Q474 D475 Y495	L468-R471 WeakPolarHBondContact O-CB 3.09Å; L468-R471 PolarHBondContact O-N 2.91Å; L468-R471 VanDerWaalsContact O-N 3.08Å; Y469-R471 VanDerWaalsContact C-N 3.31Å; Y469-R471 PolarHBondContact O-N 3.03Å; R471-V473 VanDerWaalsContact C-N 3.31Å; R471-V473 PolarHBondContact O-N 2.88Å; R471-Q474 VanDerWaalsContact NH1-OE1 3.13Å; R471-Q474 PolarHBondContact O-N 2.94Å; R471-D475 WeakPolarHBondContact O-CB 3.42Å; R471-D475 PolarHBondContact O-N 3.48Å; R471-Y495 HydrophobicContact CB-CE1 4.23Å; R471-Y495 VanDerWaalsContact CB-OH 3.3Å; R471-Y495 WeakPolarHBondContact CB-OH 3.29Å
472	L	97.8	Very high	95.3	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.7	-40.7	175.4	-64.8	177.8	0	0	0	112.1	L468 Y469 F476 L478 A483 L486 A487 A494 Y495 A498	L468-L472 HydrophobicContact CD2-CD1 3.57Å; L468-L472 HydrophobicContact CD2-CD2 4.34Å; L468-L472 HydrophobicContact CD2-CG 3.78Å; L468-L472 PolarHBondContact O-N 3.08Å; Y469-L472 PolarHBondContact O-N 2.95Å; L472-F476 HydrophobicContact CD2-CD2 4.33Å; L472-F476 HydrophobicContact CD2-CE2 4.3Å; L472-F476 WeakPolarHBondContact O-CB 3.42Å; L472-F476 PolarHBondContact O-N 3.03Å; L472-L478 HydrophobicContact CB-CD1 3.98Å; L472-A483 HydrophobicContact CB-CB 3.88Å; L472-A483 WeakPolarHBondContact CD1-O 3.43Å; L472-L486 HydrophobicContact CD1-CB 4.02Å; L472-A487 HydrophobicContact CD1-CB 4.18Å; L472-A494 HydrophobicContact CD1-CB 3.72Å; L472-A494 HydrophobicContact CD2-CB 4.22Å; L472-Y495 HydrophobicContact CD2-CD1 3.88Å; L472-Y495 HydrophobicContact CD2-CE1 4.04Å; L472-Y495 HydrophobicContact CD2-CG 4.35Å; L472-A498 HydrophobicContact CD2-CB 4.07Å
473	V	97.8	Very high	95.9	Very high	38 Å²	38	61.4 Å²	61.4	23%	0.23	29%	0.294	C	S	.	.	H	α-helix	trans	-65.9	-50.1	174.1	175.7	0	0	0	0	111	Y469 I470 R471 G477 A483	Y469-V473 WeakPolarHBondContact O-CG2 3.36Å; Y469-V473 PolarHBondContact O-N 3.1Å; I470-V473 PolarHBondContact O-N 3.2Å; R471-V473 VanDerWaalsContact C-N 3.31Å; R471-V473 PolarHBondContact O-N 2.88Å; V473-G477 WeakPolarHBondContact O-CA 3.21Å; V473-G477 PolarHBondContact O-N 2.65Å; V473-A483 HydrophobicContact CG2-CB 3.46Å; V473-A483 VanDerWaalsContact CG2-CB 3.46Å
474	Q	96.6	Very high	96.3	Very high	122 Å²	122	55.2 Å²	55.2	57%	0.57	27%	0.271	S	S	*	.	H	α-helix	trans	-68.4	-42.5	-174.3	-73.2	176.8	-17.9	0	0	113.4	I470 R471	I470-Q474 HydrophobicContact CG2-CG 4.26Å; I470-Q474 WeakPolarHBondContact O-CB 3.32Å; I470-Q474 VanDerWaalsContact O-CG 3.29Å; I470-Q474 WeakPolarHBondContact O-CG 3.46Å; I470-Q474 PolarHBondContact O-N 3.2Å; R471-Q474 VanDerWaalsContact NH1-OE1 3.13Å; R471-Q474 PolarHBondContact O-N 2.94Å
475	D	96.1	Very high	96.5	Very high	98 Å²	98	53.8 Å²	53.8	52%	0.524	27%	0.266	S	S	.	.	H	α-helix	trans	-86.3	-27.5	-170.3	-58.3	-17.7	0	0	0	112.1	R471	R471-D475 WeakPolarHBondContact O-CB 3.42Å; R471-D475 PolarHBondContact O-N 3.48Å
476	F	96.7	Very high	96.8	Very high	49 Å²	49	48.7 Å²	48.7	22%	0.215	24%	0.242	C	C	.	.	H	α-helix	trans	-116.9	-17.3	-176	-60.9	-90.4	0	0	0	114	L472 L478 Y495 A498 R499 V511	L472-F476 HydrophobicContact CD2-CD2 4.33Å; L472-F476 HydrophobicContact CD2-CE2 4.3Å; L472-F476 WeakPolarHBondContact O-CB 3.42Å; L472-F476 PolarHBondContact O-N 3.03Å; F476-L478 HydrophobicContact CB-CD1 4.22Å; F476-L478 HydrophobicContact CB-CG 4.11Å; F476-Y495 AromaticContact CE2-CD1 3.81Å; F476-Y495 HydrophobicContact CE2-CD1 3.81Å; F476-Y495 HydrophobicContact CE2-CE1 4.35Å; F476-Y495 HydrophobicContact CZ-CD1 4.27Å; F476-A498 HydrophobicContact CD1-CB 3.84Å; F476-A498 HydrophobicContact CD2-CB 3.87Å; F476-A498 HydrophobicContact CE1-CB 3.96Å; F476-A498 HydrophobicContact CE2-CB 3.99Å; F476-A498 HydrophobicContact CG-CB 3.81Å; F476-A498 HydrophobicContact CZ-CB 4.03Å; F476-R499 HydrophobicContact CE1-CB 4.41Å; F476-R499 HydrophobicContact CE1-CG 3.58Å; F476-R499 HydrophobicContact CZ-CG 3.91Å; F476-V511 HydrophobicContact CB-CG2 3.99Å; F476-V511 VanDerWaalsContact O-CG2 3.32Å; F476-V511 WeakPolarHBondContact O-CG2 3.42Å
477	G	96.3	Very high	97.1	Very high	9 Å²	9	44.9 Å²	44.9	9%	0.093	22%	0.218	C	C	.	.			trans	71.6	33	-173.1	0	0	0	0	0	113.3	V473 P509 I510	V473-G477 WeakPolarHBondContact O-CA 3.21Å; V473-G477 PolarHBondContact O-N 2.65Å; G477-P509 CarbonylContact O-C 3.51Å; G477-P509 WeakPolarHBondContact O-CA 3.29Å; G477-I510 PolarHBondContact O-N 3.46Å
478	L	97.5	Very high	97.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.211	C	C	.	.			trans	-71.5	151.7	173.2	-74.9	164.9	0	0	0	111.4	L472 F476 V482 A483 L486 A498 Y508 V511	L472-L478 HydrophobicContact CB-CD1 3.98Å; F476-L478 HydrophobicContact CB-CD1 4.22Å; F476-L478 HydrophobicContact CB-CG 4.11Å; L478-V482 HydrophobicContact CD2-CG1 3.9Å; L478-A483 HydrophobicContact CB-CB 4.25Å; L478-L486 HydrophobicContact CD1-CD1 3.99Å; L478-A498 HydrophobicContact CD1-CB 3.85Å; L478-Y508 PolarHBondContact O-OH 2.69Å; L478-V511 HydrophobicContact CD2-CG2 3.71Å; L478-V511 HydrophobicContact CG-CG2 3.91Å
479	D	96.8	Very high	97.3	Very high	43 Å²	43	43.1 Å²	43.1	23%	0.23	21%	0.211	C	C	.	.			trans	-61.3	150.2	168	-161.8	-3.2	0	0	0	110.4	D481 V482 A483 Y508 P509 K514	D479-D481 WeakPolarHBondContact CB-OD1 3.29Å; D479-D481 PolarHBondContact O-N 3Å; D479-D481 VanDerWaalsContact OD2-OD1 3.09Å; D479-V482 HydrophobicContact CB-CB 4.3Å; D479-V482 HydrophobicContact CB-CG2 4.06Å; D479-V482 PolarHBondContact O-N 3Å; D479-A483 VanDerWaalsContact O-CB 3.31Å; D479-A483 WeakPolarHBondContact O-CB 3.33Å; D479-A483 PolarHBondContact O-N 3.34Å; D479-Y508 WeakPolarHBondContact CA-OH 3.35Å; D479-P509 HydrophobicContact CB-CB 4.07Å; D479-P509 HydrophobicContact CB-CG 4.24Å; D479-K514 IonicContact OD2-NZ 2.66Å; D479-K514 PolarHBondContact OD2-NZ 3.36Å
480	F	96.6	Very high	97.3	Very high	121 Å²	121	40.2 Å²	40.2	53%	0.531	20%	0.2	S	C	.	.	H	α-helix	trans	-62.5	-42.6	-174.8	168.9	-98	0	0	0	112.5	Y469 T484	Y469-F480 HydrophobicContact CD2-CD2 4.21Å; Y469-F480 AromaticContact CD2-CE2 3.87Å; Y469-F480 HydrophobicContact CD2-CE2 3.87Å; Y469-F480 HydrophobicContact CE2-CD2 4.2Å; Y469-F480 AromaticContact CE2-CE2 3.56Å; Y469-F480 HydrophobicContact CE2-CE2 3.56Å; F480-T484 WeakPolarHBondContact O-CB 3.38Å; F480-T484 PolarHBondContact O-N 2.99Å; F480-T484 PolarHBondContact O-OG1 3.42Å
481	D	96.2	Very high	97.3	Very high	48 Å²	48	37.4 Å²	37.4	26%	0.257	19%	0.185	S	C	.	.	H	α-helix	trans	-67.7	-42.6	179.5	65.1	-20.1	0	0	0	111.6	D479 T484 H485 K514 P520	D479-D481 WeakPolarHBondContact CB-OD1 3.29Å; D479-D481 PolarHBondContact O-N 3Å; D479-D481 VanDerWaalsContact OD2-OD1 3.09Å; D481-T484 PolarHBondContact O-N 3.4Å; D481-H485 VanDerWaalsContact O-CB 3.32Å; D481-H485 WeakPolarHBondContact O-CB 3.16Å; D481-H485 PolarHBondContact O-N 3.08Å; D481-K514 VanDerWaalsContact CG-NZ 3.32Å; D481-K514 IonicContact OD1-NZ 2.67Å; D481-K514 PolarHBondContact OD1-NZ 2.89Å; D481-K514 VanDerWaalsContact OD1-NZ 3.11Å; D481-K514 IonicContact OD2-NZ 2.81Å; D481-K514 PolarHBondContact OD2-NZ 3.45Å; D481-P520 HydrophobicContact CB-CB 4.37Å
482	V	98.1	Very high	97.2	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	17%	0.166	C	C	.	.	H	α-helix	trans	-61.9	-48.5	173.9	177.6	0	0	0	0	110.3	L478 D479 T484 H485 L486 K514 P520 I522	L478-V482 HydrophobicContact CD2-CG1 3.9Å; D479-V482 HydrophobicContact CB-CB 4.3Å; D479-V482 HydrophobicContact CB-CG2 4.06Å; D479-V482 PolarHBondContact O-N 3Å; V482-T484 VanDerWaalsContact C-N 3.3Å; V482-T484 PolarHBondContact O-N 3.22Å; V482-H485 PolarHBondContact O-N 2.91Å; V482-L486 HydrophobicContact CG1-CD1 4.11Å; V482-L486 HydrophobicContact CG1-CG 4.18Å; V482-L486 WeakPolarHBondContact O-CB 3.11Å; V482-L486 VanDerWaalsContact O-CG 3.3Å; V482-L486 WeakPolarHBondContact O-CG 3.39Å; V482-L486 PolarHBondContact O-N 3.33Å; V482-K514 HydrophobicContact CG2-CD 4.41Å; V482-K514 HydrophobicContact CG2-CG 4.19Å; V482-P520 HydrophobicContact CG2-CB 4.27Å; V482-I522 HydrophobicContact CB-CG2 4.47Å; V482-I522 HydrophobicContact CG1-CD1 4.15Å; V482-I522 HydrophobicContact CG1-CG2 3.59Å; V482-I522 HydrophobicContact CG2-CG2 3.95Å
483	A	98.4	Very high	97.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.7	-40.7	178.6	0	0	0	0	0	112.1	L472 V473 L478 D479 A487	L472-A483 HydrophobicContact CB-CB 3.88Å; L472-A483 WeakPolarHBondContact CD1-O 3.43Å; V473-A483 HydrophobicContact CG2-CB 3.46Å; V473-A483 VanDerWaalsContact CG2-CB 3.46Å; L478-A483 HydrophobicContact CB-CB 4.25Å; D479-A483 VanDerWaalsContact O-CB 3.31Å; D479-A483 WeakPolarHBondContact O-CB 3.33Å; D479-A483 PolarHBondContact O-N 3.34Å; A483-A487 VanDerWaalsContact O-CB 3.29Å; A483-A487 WeakPolarHBondContact O-CB 3.41Å; A483-A487 PolarHBondContact O-N 2.78Å
484	T	97.3	Very high	97.2	Very high	45 Å²	45	31.5 Å²	31.5	28%	0.276	16%	0.161	S	C	.	.	H	α-helix	trans	-65.8	-45.3	176.6	-58.7	0	0	0	0	111.3	F480 D481 V482 A487 T488	F480-T484 WeakPolarHBondContact O-CB 3.38Å; F480-T484 PolarHBondContact O-N 2.99Å; F480-T484 PolarHBondContact O-OG1 3.42Å; D481-T484 PolarHBondContact O-N 3.4Å; V482-T484 VanDerWaalsContact C-N 3.3Å; V482-T484 PolarHBondContact O-N 3.22Å; T484-A487 PolarHBondContact O-N 3.21Å; T484-T488 WeakPolarHBondContact O-CG2 3.21Å; T484-T488 PolarHBondContact O-N 3.15Å; T484-T488 PolarHBondContact O-OG1 3.25Å
485	H	97.6	Very high	97.2	Very high	14 Å²	14	28.8 Å²	28.8	7%	0.065	15%	0.146	C	C	.	.	H	α-helix	trans	-58.9	-49.6	174.9	167.9	56.3	0	0	0	111.8	D481 V482 A487 T488 T489 P520 Y521 E525	D481-H485 VanDerWaalsContact O-CB 3.32Å; D481-H485 WeakPolarHBondContact O-CB 3.16Å; D481-H485 PolarHBondContact O-N 3.08Å; V482-H485 PolarHBondContact O-N 2.91Å; H485-A487 PolarHBondContact O-N 3.21Å; H485-T488 PolarHBondContact O-N 2.65Å; H485-T488 PolarHBondContact O-OG1 3.47Å; H485-T488 VanDerWaalsContact O-OG1 3.09Å; H485-T489 PolarHBondContact CE1-OG1 2.95Å; H485-T489 PolarHBondContact ND1-OG1 3.31Å; H485-T489 VanDerWaalsContact O-CB 3.26Å; H485-T489 WeakPolarHBondContact O-CB 3.32Å; H485-T489 PolarHBondContact O-N 3.3Å; H485-T489 PolarHBondContact O-OG1 2.91Å; H485-T489 VanDerWaalsContact O-OG1 3.08Å; H485-P520 HydrophobicContact CB-CB 3.69Å; H485-P520 HydrophobicContact CB-CG 3.7Å; H485-P520 PolarHBondContact CD2-O 2.98Å; H485-Y521 AromaticContact CE1-CD1 3.71Å; H485-Y521 AromaticContact CE1-CE1 3.45Å; H485-Y521 VanDerWaalsContact CE1-CE1 3.45Å; H485-Y521 WeakPolarHBondContact CE1-CE1 3.31Å; H485-Y521 AromaticContact NE2-CD1 3.45Å; H485-Y521 WeakPolarHBondContact NE2-CD1 3.3Å; H485-Y521 AromaticContact NE2-CE1 3.71Å; H485-E525 IonicContact CD2-OE1 3.9Å; H485-E525 PolarHBondContact CD2-OE1 3Å; H485-E525 IonicContact CD2-OE2 3.83Å; H485-E525 IonicContact CE1-OE2 3.01Å; H485-E525 VanDerWaalsContact NE2-CD 3.34Å; H485-E525 IonicContact NE2-OE1 3.28Å; H485-E525 PolarHBondContact NE2-OE1 3.44Å; H485-E525 IonicContact NE2-OE2 3.53Å; H485-E525 PolarHBondContact NE2-OE2 2.92Å
486	L	98.5	Very high	97.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.4	-42.7	-179.7	-67.7	-174.8	0	0	0	111.7	L472 L478 V482 T488 T489 Y490 A494 V497 I522 E525	L472-L486 HydrophobicContact CD1-CB 4.02Å; L478-L486 HydrophobicContact CD1-CD1 3.99Å; V482-L486 HydrophobicContact CG1-CD1 4.11Å; V482-L486 HydrophobicContact CG1-CG 4.18Å; V482-L486 WeakPolarHBondContact O-CB 3.11Å; V482-L486 VanDerWaalsContact O-CG 3.3Å; V482-L486 WeakPolarHBondContact O-CG 3.39Å; V482-L486 PolarHBondContact O-N 3.33Å; L486-T488 VanDerWaalsContact C-N 3.33Å; L486-T488 PolarHBondContact O-N 2.76Å; L486-T489 PolarHBondContact O-N 3.04Å; L486-Y490 HydrophobicContact CB-CD2 4.43Å; L486-Y490 HydrophobicContact CD2-CD2 3.74Å; L486-Y490 HydrophobicContact CD2-CE2 3.64Å; L486-Y490 WeakPolarHBondContact O-CB 3.42Å; L486-Y490 PolarHBondContact O-N 3.32Å; L486-A494 HydrophobicContact CB-CB 4.06Å; L486-A494 WeakPolarHBondContact O-CB 3.41Å; L486-V497 HydrophobicContact CD1-CG1 4.3Å; L486-V497 HydrophobicContact CD2-CB 4.39Å; L486-V497 HydrophobicContact CD2-CG1 3.84Å; L486-I522 HydrophobicContact CD1-CD1 3.98Å; L486-I522 HydrophobicContact CD2-CD1 4.48Å; L486-E525 HydrophobicContact CD2-CG 3.81Å
487	A	98	Very high	97.3	Very high	2 Å²	2	25.2 Å²	25.2	2%	0.017	13%	0.126	C	C	.	.	H	α-helix	trans	-62	-40	178.7	0	0	0	0	0	112.3	Y464 L468 L472 A483 T484 H485 G491	Y464-A487 VanDerWaalsContact CE2-O 3.31Å; Y464-A487 WeakPolarHBondContact CE2-O 3.37Å; L468-A487 HydrophobicContact CB-CB 4.36Å; L468-A487 HydrophobicContact CD2-CB 3.61Å; L472-A487 HydrophobicContact CD1-CB 4.18Å; A483-A487 VanDerWaalsContact O-CB 3.29Å; A483-A487 WeakPolarHBondContact O-CB 3.41Å; A483-A487 PolarHBondContact O-N 2.78Å; T484-A487 PolarHBondContact O-N 3.21Å; H485-A487 PolarHBondContact O-N 3.21Å; A487-G491 VanDerWaalsContact O-CA 3.27Å; A487-G491 WeakPolarHBondContact O-CA 3.4Å; A487-G491 PolarHBondContact O-N 3Å; A487-G491 VanDerWaalsContact O-N 3.12Å
488	T	96.3	Very high	97.4	Very high	53 Å²	53	24.9 Å²	24.9	33%	0.325	12%	0.122	S	C	.	.	H	α-helix	trans	-79.8	-32	179.8	52.3	0	0	0	0	112.4	H142 L143 T484 H485 L486	H142-T488 CarbonylContact C-O 3.5Å; H142-T488 CarbonylContact O-C 3.59Å; L143-T488 WeakPolarHBondContact CD2-O 3.49Å; T484-T488 WeakPolarHBondContact O-CG2 3.21Å; T484-T488 PolarHBondContact O-N 3.15Å; T484-T488 PolarHBondContact O-OG1 3.25Å; H485-T488 PolarHBondContact O-N 2.65Å; H485-T488 PolarHBondContact O-OG1 3.47Å; H485-T488 VanDerWaalsContact O-OG1 3.09Å; L486-T488 VanDerWaalsContact C-N 3.33Å; L486-T488 PolarHBondContact O-N 2.76Å
489	T	97.8	Very high	97.3	Very high	4 Å²	4	32.8 Å²	32.8	3%	0.025	15%	0.152	C	C	.	.	H	α-helix	trans	-84.8	-35.2	-178.4	-62.8	0	0	0	0	113.8	L143 R216 H485 L486	L143-T489 WeakPolarHBondContact CD2-O 3.29Å; R216-T489 HydrophobicContact CG-CG2 4.27Å; R216-T489 PolarHBondContact NE-O 3.16Å; H485-T489 PolarHBondContact CE1-OG1 2.95Å; H485-T489 PolarHBondContact ND1-OG1 3.31Å; H485-T489 VanDerWaalsContact O-CB 3.26Å; H485-T489 WeakPolarHBondContact O-CB 3.32Å; H485-T489 PolarHBondContact O-N 3.3Å; H485-T489 PolarHBondContact O-OG1 2.91Å; H485-T489 VanDerWaalsContact O-OG1 3.08Å; L486-T489 PolarHBondContact O-N 3.04Å
490	Y	98.3	Very high	97.3	Very high	2 Å²	2	33 Å²	33	1%	0.008	15%	0.152	C	C	.	.	H	α-helix	trans	-115.9	-11.3	-172.7	-61.3	-79.5	0	0	0	113.7	R216 L486 D492 K493 V497 E525 Y528	R216-Y490 VanDerWaalsContact CZ-CE1 3.48Å; R216-Y490 VanDerWaalsContact NH2-CE1 3.32Å; L486-Y490 HydrophobicContact CB-CD2 4.43Å; L486-Y490 HydrophobicContact CD2-CD2 3.74Å; L486-Y490 HydrophobicContact CD2-CE2 3.64Å; L486-Y490 WeakPolarHBondContact O-CB 3.42Å; L486-Y490 PolarHBondContact O-N 3.32Å; Y490-D492 PolarHBondContact O-N 3.33Å; Y490-K493 VanDerWaalsContact O-CB 3.31Å; Y490-K493 WeakPolarHBondContact O-CB 3.33Å; Y490-K493 PolarHBondContact O-N 3.39Å; Y490-V497 HydrophobicContact CD1-CG2 3.96Å; Y490-V497 HydrophobicContact CD2-CG2 4.02Å; Y490-V497 HydrophobicContact CE1-CG2 4.18Å; Y490-V497 HydrophobicContact CE2-CG2 4.22Å; Y490-V497 HydrophobicContact CG-CG2 3.89Å; Y490-E525 HydrophobicContact CE2-CG 3.84Å; Y490-E525 WeakPolarHBondContact CE2-OE2 3.33Å; Y490-E525 WeakPolarHBondContact OH-CG 3.44Å; Y490-E525 PolarHBondContact OH-OE2 3.44Å; Y490-Y528 AromaticContact CD1-CD1 3.81Å; Y490-Y528 HydrophobicContact CD1-CD1 3.81Å; Y490-Y528 AromaticContact CD1-CE1 3.6Å; Y490-Y528 HydrophobicContact CD1-CE1 3.6Å; Y490-Y528 AromaticContact CE1-CD1 3.47Å; Y490-Y528 HydrophobicContact CE1-CD1 3.47Å; Y490-Y528 VanDerWaalsContact CE1-CD1 3.47Å; Y490-Y528 AromaticContact CE1-CE1 3.73Å; Y490-Y528 HydrophobicContact CE1-CE1 3.73Å
491	G	97.5	Very high	97.3	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	56.6	-128.9	-178.1	0	0	0	0	0	111.4	H142 G460 A487 K493 A494	H142-G491 PolarHBondContact CD2-N 2.87Å; H142-G491 VanDerWaalsContact CD2-N 3.29Å; G460-G491 CarbonylContact O-C 3.38Å; G460-G491 WeakPolarHBondContact O-CA 3.42Å; A487-G491 VanDerWaalsContact O-CA 3.27Å; A487-G491 WeakPolarHBondContact O-CA 3.4Å; A487-G491 PolarHBondContact O-N 3Å; A487-G491 VanDerWaalsContact O-N 3.12Å; G491-K493 PolarHBondContact O-N 2.98Å; G491-A494 WeakPolarHBondContact O-CB 3.47Å; G491-A494 PolarHBondContact O-N 3.17Å; G491-A494 VanDerWaalsContact O-N 3.07Å
492	D	94.8	Very high	97.1	Very high	21 Å²	21	31.4 Å²	31.4	11%	0.112	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-65.3	-15.6	176.7	70.5	17.5	0	0	0	114.9	G460 K463 Y490 A494	G460-D492 WeakPolarHBondContact CA-OD1 3.29Å; G460-D492 PolarHBondContact O-N 3.08Å; K463-D492 HydrophobicContact CB-CB 3.7Å; K463-D492 PolarHBondContact N-OD2 3.48Å; K463-D492 VanDerWaalsContact N-OD2 3.09Å; Y490-D492 PolarHBondContact O-N 3.33Å; D492-A494 VanDerWaalsContact C-N 3.27Å
493	K	96.7	Very high	97	Very high	29 Å²	29	37.7 Å²	37.7	13%	0.126	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-80.8	-9.3	174.6	-55.9	-63.9	177	-92.7	0	112.6	E459 Y490 G491 Y495 K496 V497 Y528	E459-K493 WeakPolarHBondContact OE1-CE 3.45Å; Y490-K493 VanDerWaalsContact O-CB 3.31Å; Y490-K493 WeakPolarHBondContact O-CB 3.33Å; Y490-K493 PolarHBondContact O-N 3.39Å; G491-K493 PolarHBondContact O-N 2.98Å; K493-Y495 PolarHBondContact O-N 2.85Å; K493-K496 HydrophobicContact CD-CD 4.11Å; K493-K496 WeakPolarHBondContact O-CA 3.38Å; K493-K496 WeakPolarHBondContact O-CB 3.4Å; K493-K496 PolarHBondContact O-N 2.85Å; K493-V497 PolarHBondContact O-N 3.13Å; K493-Y528 WeakPolarHBondContact CB-OH 3.45Å
494	A	98.2	Very high	96.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-55.4	-35.7	175.7	0	0	0	0	0	112.5	L468 L472 L486 G491 D492 K496 V497 A498	L468-A494 HydrophobicContact CD2-CB 4.01Å; L472-A494 HydrophobicContact CD1-CB 3.72Å; L472-A494 HydrophobicContact CD2-CB 4.22Å; L486-A494 HydrophobicContact CB-CB 4.06Å; L486-A494 WeakPolarHBondContact O-CB 3.41Å; G491-A494 WeakPolarHBondContact O-CB 3.47Å; G491-A494 PolarHBondContact O-N 3.17Å; G491-A494 VanDerWaalsContact O-N 3.07Å; D492-A494 VanDerWaalsContact C-N 3.27Å; A494-K496 VanDerWaalsContact C-N 3.26Å; A494-K496 PolarHBondContact O-N 2.78Å; A494-V497 PolarHBondContact O-N 3.35Å; A494-V497 VanDerWaalsContact O-N 3.14Å; A494-A498 WeakPolarHBondContact O-CB 3.37Å; A494-A498 PolarHBondContact O-N 3.21Å
495	Y	97.4	Very high	96.6	Very high	66 Å²	66	40.9 Å²	40.9	26%	0.259	21%	0.21	S	C	.	.	H	α-helix	trans	-61.9	-30.1	173.6	-66.7	-75.4	0	0	0	113.6	L468 R471 L472 F476 K493 R499	L468-Y495 HydrophobicContact CD1-CE2 3.82Å; L468-Y495 HydrophobicContact CD2-CE2 4.43Å; L468-Y495 HydrophobicContact CG-CE2 4.05Å; R471-Y495 HydrophobicContact CB-CE1 4.23Å; R471-Y495 VanDerWaalsContact CB-OH 3.3Å; R471-Y495 WeakPolarHBondContact CB-OH 3.29Å; L472-Y495 HydrophobicContact CD2-CD1 3.88Å; L472-Y495 HydrophobicContact CD2-CE1 4.04Å; L472-Y495 HydrophobicContact CD2-CG 4.35Å; F476-Y495 AromaticContact CE2-CD1 3.81Å; F476-Y495 HydrophobicContact CE2-CD1 3.81Å; F476-Y495 HydrophobicContact CE2-CE1 4.35Å; F476-Y495 HydrophobicContact CZ-CD1 4.27Å; K493-Y495 PolarHBondContact O-N 2.85Å; Y495-R499 WeakPolarHBondContact O-CB 3.39Å; Y495-R499 VanDerWaalsContact O-CG 3.27Å; Y495-R499 WeakPolarHBondContact O-CG 3.16Å; Y495-R499 PolarHBondContact O-N 3.38Å; Y495-R499 PolarHBondContact O-NE 2.77Å
496	K	96.8	Very high	96.4	Very high	72 Å²	72	46.1 Å²	46.1	31%	0.313	23%	0.234	S	C	.	.	H	α-helix	trans	-71.7	-41.5	174.5	-67.7	-174.6	178.5	-173.1	0	110.3	K493 A494 M500 Y528	K493-K496 HydrophobicContact CD-CD 4.11Å; K493-K496 WeakPolarHBondContact O-CA 3.38Å; K493-K496 WeakPolarHBondContact O-CB 3.4Å; K493-K496 PolarHBondContact O-N 2.85Å; A494-K496 VanDerWaalsContact C-N 3.26Å; A494-K496 PolarHBondContact O-N 2.78Å; K496-M500 WeakPolarHBondContact O-CG 3.21Å; K496-M500 PolarHBondContact O-N 2.98Å; K496-Y528 HydrophobicContact CB-CE2 3.93Å; K496-Y528 HydrophobicContact CD-CE2 4.44Å
497	V	98.2	Very high	96.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.8	-47.6	176.3	-172.5	0	0	0	0	111.1	L486 Y490 K493 A494 R499 M500 S501 I522 A524 E525 Y528	L486-V497 HydrophobicContact CD1-CG1 4.3Å; L486-V497 HydrophobicContact CD2-CB 4.39Å; L486-V497 HydrophobicContact CD2-CG1 3.84Å; Y490-V497 HydrophobicContact CD1-CG2 3.96Å; Y490-V497 HydrophobicContact CD2-CG2 4.02Å; Y490-V497 HydrophobicContact CE1-CG2 4.18Å; Y490-V497 HydrophobicContact CE2-CG2 4.22Å; Y490-V497 HydrophobicContact CG-CG2 3.89Å; K493-V497 PolarHBondContact O-N 3.13Å; A494-V497 PolarHBondContact O-N 3.35Å; A494-V497 VanDerWaalsContact O-N 3.14Å; V497-R499 VanDerWaalsContact C-N 3.33Å; V497-R499 PolarHBondContact O-N 3.09Å; V497-M500 PolarHBondContact O-N 3.41Å; V497-S501 PolarHBondContact O-N 3.23Å; V497-S501 PolarHBondContact O-OG 2.98Å; V497-I522 HydrophobicContact CG1-CD1 4.42Å; V497-A524 HydrophobicContact CG1-CB 4.08Å; V497-E525 HydrophobicContact CG1-CG 3.85Å; V497-Y528 HydrophobicContact CG2-CD1 3.68Å; V497-Y528 HydrophobicContact CG2-CD2 4.03Å; V497-Y528 HydrophobicContact CG2-CE1 4.06Å; V497-Y528 HydrophobicContact CG2-CE2 4.39Å; V497-Y528 HydrophobicContact CG2-CG 3.66Å
498	A	97.9	Very high	95.8	Very high	2 Å²	2	63 Å²	63	2%	0.017	30%	0.298	C	S	.	.	H	α-helix	trans	-58	-42.8	177.9	0	0	0	0	0	112.2	L472 F476 L478 A494 M500 S501	L472-A498 HydrophobicContact CD2-CB 4.07Å; F476-A498 HydrophobicContact CD1-CB 3.84Å; F476-A498 HydrophobicContact CD2-CB 3.87Å; F476-A498 HydrophobicContact CE1-CB 3.96Å; F476-A498 HydrophobicContact CE2-CB 3.99Å; F476-A498 HydrophobicContact CG-CB 3.81Å; F476-A498 HydrophobicContact CZ-CB 4.03Å; L478-A498 HydrophobicContact CD1-CB 3.85Å; A494-A498 WeakPolarHBondContact O-CB 3.37Å; A494-A498 PolarHBondContact O-N 3.21Å; A498-M500 PolarHBondContact O-N 2.88Å; A498-S501 WeakPolarHBondContact O-CB 3.48Å; A498-S501 PolarHBondContact O-N 3.32Å; A498-S501 PolarHBondContact O-OG 3.42Å
499	R	97	Very high	95.8	Very high	166 Å²	166	61.5 Å²	61.5	63%	0.626	29%	0.289	S	S	*	.	H	α-helix	trans	-62.8	-25.5	176	-80.9	-178.8	-73	179.3	-5.7	114.8	F476 Y495 V497 S501	F476-R499 HydrophobicContact CE1-CB 4.41Å; F476-R499 HydrophobicContact CE1-CG 3.58Å; F476-R499 HydrophobicContact CZ-CG 3.91Å; Y495-R499 WeakPolarHBondContact O-CB 3.39Å; Y495-R499 VanDerWaalsContact O-CG 3.27Å; Y495-R499 WeakPolarHBondContact O-CG 3.16Å; Y495-R499 PolarHBondContact O-N 3.38Å; Y495-R499 PolarHBondContact O-NE 2.77Å; V497-R499 VanDerWaalsContact C-N 3.33Å; V497-R499 PolarHBondContact O-N 3.09Å; R499-S501 VanDerWaalsContact C-N 3.31Å
500	M	96.2	Very high	95.6	Very high	46 Å²	46	65.1 Å²	65.1	23%	0.227	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-2.7	176.5	-63.4	-173.7	-48.3	0	0	112.6	K496 V497 A498 R502 A524 I527 Y528 K531	K496-M500 WeakPolarHBondContact O-CG 3.21Å; K496-M500 PolarHBondContact O-N 2.98Å; V497-M500 PolarHBondContact O-N 3.41Å; A498-M500 PolarHBondContact O-N 2.88Å; M500-R502 PolarHBondContact O-N 3.38Å; M500-A524 HydrophobicContact CB-CB 4.38Å; M500-I527 HydrophobicContact CE-CG2 4.45Å; M500-I527 HydrophobicContact SD-CG2 4.22Å; M500-Y528 VanDerWaalsContact CE-CB 3.42Å; M500-Y528 HydrophobicContact CE-CD2 3.4Å; M500-Y528 VanDerWaalsContact CE-CD2 3.4Å; M500-Y528 HydrophobicContact CE-CG 3.83Å; M500-K531 HydrophobicContact SD-CD 4.45Å; M500-K531 PolarHBondContact SD-NZ 3.35Å
501	S	96.6	Very high	95.5	Very high	16 Å²	16	65.8 Å²	65.8	11%	0.112	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-72.7	128.4	-179.2	-60.2	0	0	0	0	111	V497 A498 R499 I522 A524	V497-S501 PolarHBondContact O-N 3.23Å; V497-S501 PolarHBondContact O-OG 2.98Å; A498-S501 WeakPolarHBondContact O-CB 3.48Å; A498-S501 PolarHBondContact O-N 3.32Å; A498-S501 PolarHBondContact O-OG 3.42Å; R499-S501 VanDerWaalsContact C-N 3.31Å; S501-I522 WeakPolarHBondContact OG-CD1 3.49Å; S501-A524 WeakPolarHBondContact OG-CB 3.44Å
502	R	92.1	Very high	95.4	Very high	121 Å²	121	66 Å²	66	46%	0.457	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-76.2	154.9	175	-61.9	179.3	-177.3	174.5	2.6	110.3	M500 V511 G512	M500-R502 PolarHBondContact O-N 3.38Å; R502-V511 WeakPolarHBondContact O-CA 3.48Å; R502-G512 PolarHBondContact O-N 3.19Å
503	L	94.7	Very high	95.5	Very high	132 Å²	132	69.7 Å²	69.7	69%	0.691	33%	0.329	S	S	*	.	B	Isolated β-bridge	trans	-60.8	139.2	171.3	-68	170.8	0	0	0	110.2	I510 V511	L503-I510 WeakPolarHBondContact CA-O 3.32Å; L503-I510 HydrophobicContact CD2-CG2 3.8Å; L503-V511 HydrophobicContact CD2-CG1 3.99Å
504	T	94.3	Very high	95.5	Very high	33 Å²	33	70.4 Å²	70.4	20%	0.202	33%	0.332	C	S	.	.			trans	-80.9	-21.3	177.6	62.4	0	0	0	0	112.5	Q506 P509 I510	T504-Q506 VanDerWaalsContact C-N 3.25Å; T504-Q506 PolarHBondContact OG1-N 2.85Å; T504-P509 HydrophobicContact CG2-CG 4.38Å; T504-P509 WeakPolarHBondContact CG2-O 3.45Å; T504-P509 PolarHBondContact OG1-O 2.74Å; T504-I510 PolarHBondContact N-O 3.39Å; T504-I510 PolarHBondContact OG1-O 3.31Å
505	G	93.5	Very high	95.5	Very high	80 Å²	80	71.3 Å²	71.3	83%	0.825	34%	0.337	S	S	*	.	S	Bend	trans	79.1	4	-168.3	0	0	0	0	0	113.9
506	Q	93	Very high	95.5	Very high	123 Å²	123	69.5 Å²	69.5	58%	0.575	33%	0.331	S	S	*	.	S	Bend	trans	-101.5	160	178.7	-57.2	179.5	14.2	0	0	111	T504 Y508	T504-Q506 VanDerWaalsContact C-N 3.25Å; T504-Q506 PolarHBondContact OG1-N 2.85Å; Q506-Y508 VanDerWaalsContact C-N 3.3Å
507	R	92.1	Very high	95.2	Very high	245 Å²	245	73 Å²	73	93%	0.925	35%	0.353	S	S	*	.	S	Bend	trans	-63.2	-38.8	172.6	-178.7	-179.7	174.7	-172.6	-1.1	111.6
508	Y	92.3	Very high	94.8	Very high	111 Å²	111	80 Å²	80	44%	0.435	39%	0.386	S	S	.	.	S	Bend	trans	-157.5	139.4	173	-176.2	-97.1	0	0	0	109	L478 D479 Q506	L478-Y508 PolarHBondContact O-OH 2.69Å; D479-Y508 WeakPolarHBondContact CA-OH 3.35Å; Q506-Y508 VanDerWaalsContact C-N 3.3Å
509	P	95.7	Very high	94.8	Very high	22 Å²	22	80.6 Å²	80.6	14%	0.143	39%	0.388	C	S	.	.	S	Bend	cis	-66.2	146.1	-8.5	29.9	-35.2	0	0	0	111.4	G477 D479 T504	G477-P509 CarbonylContact O-C 3.51Å; G477-P509 WeakPolarHBondContact O-CA 3.29Å; D479-P509 HydrophobicContact CB-CB 4.07Å; D479-P509 HydrophobicContact CB-CG 4.24Å; T504-P509 HydrophobicContact CG2-CG 4.38Å; T504-P509 WeakPolarHBondContact CG2-O 3.45Å; T504-P509 PolarHBondContact OG1-O 2.74Å
510	I	95	Very high	94.8	Very high	80 Å²	80	73.7 Å²	73.7	41%	0.41	36%	0.364	S	S	.	.	S	Bend	trans	-73.2	-43.4	-175.9	-58.2	177.7	0	0	0	110.4	G477 L503 T504	G477-I510 PolarHBondContact O-N 3.46Å; L503-I510 WeakPolarHBondContact CA-O 3.32Å; L503-I510 HydrophobicContact CD2-CG2 3.8Å; T504-I510 PolarHBondContact N-O 3.39Å; T504-I510 PolarHBondContact OG1-O 3.31Å
511	V	96.4	Very high	94.9	Very high	16 Å²	16	71.7 Å²	71.7	10%	0.097	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-127.5	171.3	176.4	-56.1	0	0	0	0	110.1	F476 L478 R502 L503	F476-V511 HydrophobicContact CB-CG2 3.99Å; F476-V511 VanDerWaalsContact O-CG2 3.32Å; F476-V511 WeakPolarHBondContact O-CG2 3.42Å; L478-V511 HydrophobicContact CD2-CG2 3.71Å; L478-V511 HydrophobicContact CG-CG2 3.91Å; R502-V511 WeakPolarHBondContact O-CA 3.48Å; L503-V511 HydrophobicContact CD2-CG1 3.99Å
512	G	94.7	Very high	95	Very high	4 Å²	4	70.9 Å²	70.9	4%	0.041	35%	0.349	C	S	.	.			trans	91.8	56.8	175.3	0	0	0	0	0	112.2	R502 K514 I522	R502-G512 PolarHBondContact O-N 3.19Å; G512-K514 PolarHBondContact O-N 3Å; G512-K514 VanDerWaalsContact O-N 3.1Å; G512-I522 WeakPolarHBondContact O-CG2 3.32Å
513	K	96.9	Very high	95.3	Very high	100 Å²	100	65.7 Å²	65.7	44%	0.435	33%	0.33	S	S	.	.			trans	-59.7	113.9	173.3	-173.7	171.1	173.3	-162.1	0	109.8	I522 E523	K513-I522 CarbonylContact O-C 3.59Å; K513-I522 VanDerWaalsContact O-CA 3.29Å; K513-I522 WeakPolarHBondContact O-CA 3.3Å; K513-I522 WeakPolarHBondContact O-CB 3.44Å; K513-E523 HydrophobicContact CB-CG 4.34Å; K513-E523 VanDerWaalsContact CD-OE1 3.24Å; K513-E523 WeakPolarHBondContact CD-OE1 3.44Å; K513-E523 WeakPolarHBondContact CE-OE1 3.32Å; K513-E523 HydrophobicContact CG-CG 4.35Å; K513-E523 IonicContact NZ-OE1 3.55Å; K513-E523 PolarHBondContact NZ-OE1 3.47Å; K513-E523 PolarHBondContact O-N 3.4Å
514	K	97.4	Very high	95.5	Very high	44 Å²	44	59.7 Å²	59.7	19%	0.191	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-67.3	145.9	178.8	-70.3	177.6	172	171.9	0	110.7	D479 D481 V482 G512 Y521 I522	D479-K514 IonicContact OD2-NZ 2.66Å; D479-K514 PolarHBondContact OD2-NZ 3.36Å; D481-K514 VanDerWaalsContact CG-NZ 3.32Å; D481-K514 IonicContact OD1-NZ 2.67Å; D481-K514 PolarHBondContact OD1-NZ 2.89Å; D481-K514 VanDerWaalsContact OD1-NZ 3.11Å; D481-K514 IonicContact OD2-NZ 2.81Å; D481-K514 PolarHBondContact OD2-NZ 3.45Å; V482-K514 HydrophobicContact CG2-CD 4.41Å; V482-K514 HydrophobicContact CG2-CG 4.19Å; G512-K514 PolarHBondContact O-N 3Å; G512-K514 VanDerWaalsContact O-N 3.1Å; K514-Y521 CarbonylContact C-O 2.76Å; K514-Y521 WeakPolarHBondContact CA-O 3.27Å; K514-I522 HydrophobicContact CG-CG2 4.3Å
515	L	97.8	Very high	95.7	Very high	19 Å²	19	58.1 Å²	58.1	10%	0.099	29%	0.289	C	S	.	.	S	Bend	trans	-75.1	-31.3	171.1	-70.8	171.3	0	0	0	111.6	Y521 E523 V526 F540 A558 R561 V562 L565	L515-Y521 PolarHBondContact N-O 2.86Å; L515-E523 HydrophobicContact CD2-CG 4.05Å; L515-V526 HydrophobicContact CD1-CG2 3.94Å; L515-V526 HydrophobicContact CD2-CG2 4.19Å; L515-F540 HydrophobicContact CD1-CE1 3.72Å; L515-F540 HydrophobicContact CD1-CZ 3.73Å; L515-A558 HydrophobicContact CB-CB 4.14Å; L515-R561 HydrophobicContact CD2-CB 4.45Å; L515-R561 HydrophobicContact CD2-CG 4.03Å; L515-V562 HydrophobicContact CD1-CG2 3.94Å; L515-V562 HydrophobicContact CD2-CG2 4.08Å; L515-L565 HydrophobicContact CD2-CD1 4.36Å
516	H	96	Very high	95.9	Very high	27 Å²	27	54.3 Å²	54.3	13%	0.125	25%	0.25	C	S	.	.	S	Bend	trans	-147.5	140.7	175.1	-174.3	-87.1	0	0	0	108.7	E518 F519 F547 E557	H516-E518 VanDerWaalsContact C-N 3.31Å; H516-E518 IonicContact CE1-OE2 3.46Å; H516-E518 PolarHBondContact ND1-N 3.07Å; H516-E518 PolarHBondContact O-N 2.88Å; H516-F519 AromaticContact ND1-CD2 3.65Å; H516-F519 PolarHBondContact O-N 2.81Å; H516-F547 HydrophobicContact CB-CE1 4.13Å; H516-F547 HydrophobicContact CB-CZ 3.69Å; H516-E557 IonicContact CD2-OE2 3.75Å; H516-E557 PolarHBondContact CD2-OE2 3.31Å; H516-E557 IonicContact NE2-OE2 3.67Å; H516-E557 PolarHBondContact NE2-OE2 2.85Å
517	N	91.2	Very high	96.2	Very high	145 Å²	145	49.2 Å²	49.2	78%	0.775	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-32.8	-168.8	-70	-27.3	0	0	0	113.8	F519	N517-F519 VanDerWaalsContact C-N 3.34Å
518	E	90.5	Very high	96.5	Very high	148 Å²	148	38.1 Å²	38.1	69%	0.692	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-10	-178.2	-59	-172.8	156	0	0	114.4	H516	H516-E518 VanDerWaalsContact C-N 3.31Å; H516-E518 IonicContact CE1-OE2 3.46Å; H516-E518 PolarHBondContact ND1-N 3.07Å; H516-E518 PolarHBondContact O-N 2.88Å
519	F	97	Very high	96.8	Very high	15 Å²	15	32.9 Å²	32.9	7%	0.066	17%	0.165	C	C	.	.	S	Bend	trans	-122	144.5	-175.2	-69.3	-88.6	0	0	0	111.5	H516 N517 Y521 F547 L550 N551 A554	H516-F519 AromaticContact ND1-CD2 3.65Å; H516-F519 PolarHBondContact O-N 2.81Å; N517-F519 VanDerWaalsContact C-N 3.34Å; F519-Y521 HydrophobicContact CB-CD2 3.63Å; F519-Y521 HydrophobicContact CB-CE2 3.82Å; F519-Y521 AromaticContact CD1-CE2 3.84Å; F519-Y521 HydrophobicContact CD1-CE2 3.84Å; F519-Y521 HydrophobicContact CG-CD2 4.33Å; F519-Y521 HydrophobicContact CG-CE2 4.11Å; F519-Y521 PolarHBondContact O-N 2.67Å; F519-F547 HydrophobicContact CB-CE2 4.17Å; F519-F547 HydrophobicContact CB-CZ 4.18Å; F519-F547 HydrophobicContact CD1-CD2 4.36Å; F519-F547 HydrophobicContact CD1-CE2 4.04Å; F519-F547 HydrophobicContact CD2-CD2 4.42Å; F519-F547 AromaticContact CD2-CE2 3.38Å; F519-F547 HydrophobicContact CD2-CE2 3.38Å; F519-F547 AromaticContact CD2-CZ 3.73Å; F519-F547 HydrophobicContact CD2-CZ 3.73Å; F519-F547 HydrophobicContact CE1-CE2 4.3Å; F519-F547 AromaticContact CE2-CE2 3.71Å; F519-F547 HydrophobicContact CE2-CE2 3.71Å; F519-F547 HydrophobicContact CE2-CZ 4.38Å; F519-F547 HydrophobicContact CG-CD2 4.28Å; F519-F547 AromaticContact CG-CE2 3.57Å; F519-F547 HydrophobicContact CG-CE2 3.57Å; F519-F547 HydrophobicContact CG-CZ 4Å; F519-F547 HydrophobicContact CZ-CE2 4.16Å; F519-L550 HydrophobicContact CE1-CB 4.24Å; F519-L550 HydrophobicContact CE1-CD1 4.33Å; F519-N551 HydrophobicContact CE2-CB 4.14Å; F519-N551 HydrophobicContact CZ-CB 3.64Å; F519-A554 HydrophobicContact CD2-CB 3.92Å; F519-A554 HydrophobicContact CE2-CB 3.49Å; F519-A554 VanDerWaalsContact CE2-CB 3.49Å; F519-A554 HydrophobicContact CZ-CB 4.44Å
520	P	97.3	Very high	96.9	Very high	20 Å²	20	33 Å²	33	13%	0.13	17%	0.165	C	C	.	.			trans	-79.6	15.6	-174.7	34.8	-37.9	0	0	0	113.6	D481 V482 H485	D481-P520 HydrophobicContact CB-CB 4.37Å; V482-P520 HydrophobicContact CG2-CB 4.27Å; H485-P520 HydrophobicContact CB-CB 3.69Å; H485-P520 HydrophobicContact CB-CG 3.7Å; H485-P520 PolarHBondContact CD2-O 2.98Å
521	Y	98.3	Very high	97	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.016	17%	0.169	C	C	.	.			trans	-83.2	125.7	-178	-52.6	-51.8	0	0	0	111	H485 K514 L515 F519 E525 T545 F547 L550	H485-Y521 AromaticContact CE1-CD1 3.71Å; H485-Y521 AromaticContact CE1-CE1 3.45Å; H485-Y521 VanDerWaalsContact CE1-CE1 3.45Å; H485-Y521 WeakPolarHBondContact CE1-CE1 3.31Å; H485-Y521 AromaticContact NE2-CD1 3.45Å; H485-Y521 WeakPolarHBondContact NE2-CD1 3.3Å; H485-Y521 AromaticContact NE2-CE1 3.71Å; K514-Y521 CarbonylContact C-O 2.76Å; K514-Y521 WeakPolarHBondContact CA-O 3.27Å; L515-Y521 PolarHBondContact N-O 2.86Å; F519-Y521 HydrophobicContact CB-CD2 3.63Å; F519-Y521 HydrophobicContact CB-CE2 3.82Å; F519-Y521 AromaticContact CD1-CE2 3.84Å; F519-Y521 HydrophobicContact CD1-CE2 3.84Å; F519-Y521 HydrophobicContact CG-CD2 4.33Å; F519-Y521 HydrophobicContact CG-CE2 4.11Å; F519-Y521 PolarHBondContact O-N 2.67Å; Y521-E525 VanDerWaalsContact CA-OE1 3.28Å; Y521-E525 WeakPolarHBondContact CA-OE1 3.47Å; Y521-T545 HydrophobicContact CD1-CG2 3.67Å; Y521-T545 HydrophobicContact CE1-CG2 4.29Å; Y521-T545 WeakPolarHBondContact CE1-O 3.28Å; Y521-T545 HydrophobicContact CG-CG2 3.93Å; Y521-T545 PolarHBondContact OH-O 2.79Å; Y521-T545 VanDerWaalsContact OH-O 3.07Å; Y521-F547 HydrophobicContact CD2-CB 3.98Å; Y521-F547 AromaticContact CD2-CD1 3.68Å; Y521-F547 HydrophobicContact CD2-CD1 3.68Å; Y521-F547 AromaticContact CD2-CD2 4Å; Y521-F547 HydrophobicContact CD2-CD2 4Å; Y521-F547 HydrophobicContact CD2-CE1 4.06Å; Y521-F547 HydrophobicContact CD2-CE2 4.36Å; Y521-F547 AromaticContact CD2-CG 3.64Å; Y521-F547 HydrophobicContact CD2-CG 3.64Å; Y521-F547 HydrophobicContact CD2-CZ 4.39Å; Y521-F547 HydrophobicContact CE2-CB 3.8Å; Y521-F547 HydrophobicContact CE2-CD1 4.22Å; Y521-F547 AromaticContact CE2-CD2 3.75Å; Y521-F547 HydrophobicContact CE2-CD2 3.75Å; Y521-F547 HydrophobicContact CE2-CE2 4.34Å; Y521-F547 AromaticContact CE2-CG 3.68Å; Y521-F547 HydrophobicContact CE2-CG 3.68Å; Y521-L550 HydrophobicContact CE2-CD1 4.36Å; Y521-L550 WeakPolarHBondContact OH-CD1 3.43Å
522	I	98.5	Very high	97.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-111.4	157	-175.7	61.4	170.3	0	0	0	113.4	V482 L486 V497 S501 G512 K513 K514 A524 E525	V482-I522 HydrophobicContact CB-CG2 4.47Å; V482-I522 HydrophobicContact CG1-CD1 4.15Å; V482-I522 HydrophobicContact CG1-CG2 3.59Å; V482-I522 HydrophobicContact CG2-CG2 3.95Å; L486-I522 HydrophobicContact CD1-CD1 3.98Å; L486-I522 HydrophobicContact CD2-CD1 4.48Å; V497-I522 HydrophobicContact CG1-CD1 4.42Å; S501-I522 WeakPolarHBondContact OG-CD1 3.49Å; G512-I522 WeakPolarHBondContact O-CG2 3.32Å; K513-I522 CarbonylContact O-C 3.59Å; K513-I522 VanDerWaalsContact O-CA 3.29Å; K513-I522 WeakPolarHBondContact O-CA 3.3Å; K513-I522 WeakPolarHBondContact O-CB 3.44Å; K514-I522 HydrophobicContact CG-CG2 4.3Å; I522-A524 HydrophobicContact CD1-CB 3.85Å; I522-A524 HydrophobicContact CG1-CB 4.14Å; I522-A524 PolarHBondContact O-N 3.43Å; I522-A524 VanDerWaalsContact O-N 3.09Å; I522-E525 HydrophobicContact CG1-CG 3.89Å; I522-E525 PolarHBondContact N-OE1 3.01Å; I522-E525 WeakPolarHBondContact O-CB 3.48Å; I522-E525 PolarHBondContact O-N 3.07Å
523	E	98.6	Very high	97.3	Very high	12 Å²	12	34.1 Å²	34.1	6%	0.056	16%	0.164	C	C	.	.	H	α-helix	trans	-54.3	-32	178.2	-66.1	-170	178.5	0	0	112.9	K513 L515 E525 V526 R561 L565	K513-E523 HydrophobicContact CB-CG 4.34Å; K513-E523 VanDerWaalsContact CD-OE1 3.24Å; K513-E523 WeakPolarHBondContact CD-OE1 3.44Å; K513-E523 WeakPolarHBondContact CE-OE1 3.32Å; K513-E523 HydrophobicContact CG-CG 4.35Å; K513-E523 IonicContact NZ-OE1 3.55Å; K513-E523 PolarHBondContact NZ-OE1 3.47Å; K513-E523 PolarHBondContact O-N 3.4Å; L515-E523 HydrophobicContact CD2-CG 4.05Å; E523-E525 VanDerWaalsContact C-N 3.27Å; E523-E525 PolarHBondContact O-N 3.49Å; E523-V526 WeakPolarHBondContact O-CB 3.47Å; E523-V526 PolarHBondContact O-N 3.43Å; E523-V526 VanDerWaalsContact O-N 3.17Å; E523-R561 VanDerWaalsContact CD-NH2 3.27Å; E523-R561 IonicContact OE1-CZ 2.68Å; E523-R561 IonicContact OE1-NE 2.79Å; E523-R561 PolarHBondContact OE1-NE 3.18Å; E523-R561 IonicContact OE1-NH2 3.39Å; E523-R561 PolarHBondContact OE1-NH2 3.21Å; E523-R561 VanDerWaalsContact OE1-NH2 3.08Å; E523-R561 IonicContact OE2-CZ 3.71Å; E523-R561 IonicContact OE2-NE 3.21Å; E523-R561 IonicContact OE2-NH2 3.49Å; E523-R561 PolarHBondContact OE2-NH2 2.8Å; E523-L565 HydrophobicContact CB-CD1 3.64Å; E523-L565 HydrophobicContact CG-CD1 3.71Å
524	A	98.6	Very high	97.4	Very high	5 Å²	5	29.4 Å²	29.4	4%	0.041	14%	0.144	C	C	.	.	H	α-helix	trans	-65.4	-28.1	178.9	0	0	0	0	0	113.5	V497 M500 S501 I522 V526 I527 Y528	V497-A524 HydrophobicContact CG1-CB 4.08Å; M500-A524 HydrophobicContact CB-CB 4.38Å; S501-A524 WeakPolarHBondContact OG-CB 3.44Å; I522-A524 HydrophobicContact CD1-CB 3.85Å; I522-A524 HydrophobicContact CG1-CB 4.14Å; I522-A524 PolarHBondContact O-N 3.43Å; I522-A524 VanDerWaalsContact O-N 3.09Å; A524-V526 VanDerWaalsContact C-N 3.29Å; A524-I527 PolarHBondContact O-N 2.83Å; A524-Y528 WeakPolarHBondContact O-CB 3.21Å; A524-Y528 PolarHBondContact O-N 3.33Å
525	E	98.7	Very high	97.4	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-68.2	-31.6	175.7	-69.2	176.7	-104.2	0	0	111.4	H485 L486 Y490 V497 Y521 I522 E523 Y528 A529 F540	H485-E525 IonicContact CD2-OE1 3.9Å; H485-E525 PolarHBondContact CD2-OE1 3Å; H485-E525 IonicContact CD2-OE2 3.83Å; H485-E525 IonicContact CE1-OE2 3.01Å; H485-E525 VanDerWaalsContact NE2-CD 3.34Å; H485-E525 IonicContact NE2-OE1 3.28Å; H485-E525 PolarHBondContact NE2-OE1 3.44Å; H485-E525 IonicContact NE2-OE2 3.53Å; H485-E525 PolarHBondContact NE2-OE2 2.92Å; L486-E525 HydrophobicContact CD2-CG 3.81Å; Y490-E525 HydrophobicContact CE2-CG 3.84Å; Y490-E525 WeakPolarHBondContact CE2-OE2 3.33Å; Y490-E525 WeakPolarHBondContact OH-CG 3.44Å; Y490-E525 PolarHBondContact OH-OE2 3.44Å; V497-E525 HydrophobicContact CG1-CG 3.85Å; Y521-E525 VanDerWaalsContact CA-OE1 3.28Å; Y521-E525 WeakPolarHBondContact CA-OE1 3.47Å; I522-E525 HydrophobicContact CG1-CG 3.89Å; I522-E525 PolarHBondContact N-OE1 3.01Å; I522-E525 WeakPolarHBondContact O-CB 3.48Å; I522-E525 PolarHBondContact O-N 3.07Å; E523-E525 VanDerWaalsContact C-N 3.27Å; E523-E525 PolarHBondContact O-N 3.49Å; E525-Y528 PolarHBondContact O-N 3.05Å; E525-A529 WeakPolarHBondContact O-CB 3.44Å; E525-A529 PolarHBondContact O-N 3.21Å; E525-F540 HydrophobicContact CB-CE2 4.17Å; E525-F540 HydrophobicContact CB-CZ 4.49Å
526	V	98.8	Very high	97.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.2	-46.9	175.4	-173.8	0	0	0	0	110.1	L515 E523 A524 A529 V530 F540 V562 L565 M566	L515-V526 HydrophobicContact CD1-CG2 3.94Å; L515-V526 HydrophobicContact CD2-CG2 4.19Å; E523-V526 WeakPolarHBondContact O-CB 3.47Å; E523-V526 PolarHBondContact O-N 3.43Å; E523-V526 VanDerWaalsContact O-N 3.17Å; A524-V526 VanDerWaalsContact C-N 3.29Å; V526-A529 WeakPolarHBondContact O-CB 3.49Å; V526-A529 PolarHBondContact O-N 3.23Å; V526-V530 PolarHBondContact O-N 2.86Å; V526-F540 HydrophobicContact CB-CE2 4.22Å; V526-F540 HydrophobicContact CB-CZ 4.3Å; V526-F540 HydrophobicContact CG2-CD1 4.46Å; V526-F540 HydrophobicContact CG2-CE1 3.79Å; V526-F540 HydrophobicContact CG2-CE2 3.85Å; V526-F540 HydrophobicContact CG2-CZ 3.43Å; V526-F540 VanDerWaalsContact CG2-CZ 3.43Å; V526-V562 HydrophobicContact CG2-CG2 4.38Å; V526-L565 HydrophobicContact CB-CB 4.21Å; V526-L565 HydrophobicContact CB-CD1 4.27Å; V526-L565 HydrophobicContact CG1-CB 3.76Å; V526-L565 HydrophobicContact CG2-CD1 4.07Å; V526-M566 HydrophobicContact CG1-CB 4.4Å; V526-M566 HydrophobicContact CG1-CG 3.34Å
527	I	98.1	Very high	97.6	Very high	16 Å²	16	26.6 Å²	26.6	8%	0.082	13%	0.134	C	C	.	.	H	α-helix	trans	-65.4	-43	178.5	-59.5	169	0	0	0	110.3	M500 A524 V530 E569	M500-I527 HydrophobicContact CE-CG2 4.45Å; M500-I527 HydrophobicContact SD-CG2 4.22Å; A524-I527 PolarHBondContact O-N 2.83Å; I527-V530 PolarHBondContact O-N 2.92Å; I527-E569 HydrophobicContact CB-CG 4.49Å; I527-E569 HydrophobicContact CG1-CG 4.17Å; I527-E569 HydrophobicContact CG2-CG 4.34Å
528	Y	98.5	Very high	98	Very high	12 Å²	12	20.6 Å²	20.6	5%	0.047	10%	0.102	C	C	.	.	H	α-helix	trans	-66.2	-38.9	177.9	-164	-107.5	0	0	0	112.4	Y490 K493 K496 V497 M500 A524 E525 V530 K531 E532	Y490-Y528 AromaticContact CD1-CD1 3.81Å; Y490-Y528 HydrophobicContact CD1-CD1 3.81Å; Y490-Y528 AromaticContact CD1-CE1 3.6Å; Y490-Y528 HydrophobicContact CD1-CE1 3.6Å; Y490-Y528 AromaticContact CE1-CD1 3.47Å; Y490-Y528 HydrophobicContact CE1-CD1 3.47Å; Y490-Y528 VanDerWaalsContact CE1-CD1 3.47Å; Y490-Y528 AromaticContact CE1-CE1 3.73Å; Y490-Y528 HydrophobicContact CE1-CE1 3.73Å; K493-Y528 WeakPolarHBondContact CB-OH 3.45Å; K496-Y528 HydrophobicContact CB-CE2 3.93Å; K496-Y528 HydrophobicContact CD-CE2 4.44Å; V497-Y528 HydrophobicContact CG2-CD1 3.68Å; V497-Y528 HydrophobicContact CG2-CD2 4.03Å; V497-Y528 HydrophobicContact CG2-CE1 4.06Å; V497-Y528 HydrophobicContact CG2-CE2 4.39Å; V497-Y528 HydrophobicContact CG2-CG 3.66Å; M500-Y528 VanDerWaalsContact CE-CB 3.42Å; M500-Y528 HydrophobicContact CE-CD2 3.4Å; M500-Y528 VanDerWaalsContact CE-CD2 3.4Å; M500-Y528 HydrophobicContact CE-CG 3.83Å; A524-Y528 WeakPolarHBondContact O-CB 3.21Å; A524-Y528 PolarHBondContact O-N 3.33Å; E525-Y528 PolarHBondContact O-N 3.05Å; Y528-V530 VanDerWaalsContact C-N 3.3Å; Y528-V530 PolarHBondContact O-N 3.15Å; Y528-K531 WeakPolarHBondContact O-CA 3.45Å; Y528-K531 VanDerWaalsContact O-CB 3.32Å; Y528-K531 WeakPolarHBondContact O-CB 3.35Å; Y528-K531 PolarHBondContact O-N 3.34Å; Y528-E532 HydrophobicContact CD1-CG 4.25Å; Y528-E532 HydrophobicContact CE1-CG 3.94Å; Y528-E532 WeakPolarHBondContact CE1-OE1 3.4Å; Y528-E532 PolarHBondContact O-N 2.95Å
529	A	98.7	Very high	98.3	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.008	7%	0.069	C	C	.	.	H	α-helix	trans	-59	-39.2	178.4	0	0	0	0	0	112.7	E525 V526 K531 E532 Y533 A534 F540 R544	E525-A529 WeakPolarHBondContact O-CB 3.44Å; E525-A529 PolarHBondContact O-N 3.21Å; V526-A529 WeakPolarHBondContact O-CB 3.49Å; V526-A529 PolarHBondContact O-N 3.23Å; A529-K531 VanDerWaalsContact C-N 3.25Å; A529-K531 PolarHBondContact O-N 3.42Å; A529-E532 CarbonylContact O-C 3.58Å; A529-E532 WeakPolarHBondContact O-CA 3.38Å; A529-E532 PolarHBondContact O-N 2.68Å; A529-Y533 PolarHBondContact O-N 3.11Å; A529-A534 HydrophobicContact CB-CB 3.95Å; A529-A534 VanDerWaalsContact O-CB 3.23Å; A529-A534 WeakPolarHBondContact O-CB 3.35Å; A529-A534 PolarHBondContact O-N 2.81Å; A529-F540 HydrophobicContact CB-CD2 3.58Å; A529-F540 HydrophobicContact CB-CE2 4.14Å; A529-R544 HydrophobicContact CB-CB 4.05Å; A529-R544 HydrophobicContact CB-CG 3.72Å
530	V	98.5	Very high	98.4	Very high	26 Å²	26	12.9 Å²	12.9	16%	0.158	7%	0.066	C	C	.	.	H	α-helix	trans	-61.3	-36.9	174.7	172.5	0	0	0	0	111.2	V526 I527 Y528 E532 Y533 M566 E569 L570	V526-V530 PolarHBondContact O-N 2.86Å; I527-V530 PolarHBondContact O-N 2.92Å; Y528-V530 VanDerWaalsContact C-N 3.3Å; Y528-V530 PolarHBondContact O-N 3.15Å; V530-E532 PolarHBondContact O-N 3.39Å; V530-Y533 PolarHBondContact O-N 2.96Å; V530-M566 HydrophobicContact CG2-CE 4.28Å; V530-E569 HydrophobicContact CB-CB 4.36Å; V530-E569 HydrophobicContact CG1-CB 4.15Å; V530-E569 HydrophobicContact CG2-CB 4.08Å; V530-L570 HydrophobicContact CG1-CD2 3.62Å; V530-L570 HydrophobicContact CG1-CG 3.99Å; V530-L570 HydrophobicContact CG2-CD1 4.28Å; V530-L570 HydrophobicContact CG2-CG 4.18Å
531	K	97.1	Very high	98.5	Very high	112 Å²	112	12 Å²	12	49%	0.487	6%	0.06	S	C	.	.	H	α-helix	trans	-69.8	-16.9	173.5	-58.3	179	-179	-179.2	0	113.1	M500 Y528 A529	M500-K531 HydrophobicContact SD-CD 4.45Å; M500-K531 PolarHBondContact SD-NZ 3.35Å; Y528-K531 WeakPolarHBondContact O-CA 3.45Å; Y528-K531 VanDerWaalsContact O-CB 3.32Å; Y528-K531 WeakPolarHBondContact O-CB 3.35Å; Y528-K531 PolarHBondContact O-N 3.34Å; A529-K531 VanDerWaalsContact C-N 3.25Å; A529-K531 PolarHBondContact O-N 3.42Å
532	E	98.1	Very high	98.5	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	35.9	172.6	-62	-177.5	137.5	0	0	111.5	R216 L219 L223 Y528 A529 V530 A534 R544	R216-E532 IonicContact CZ-OE1 3.75Å; R216-E532 IonicContact CZ-OE2 3.32Å; R216-E532 VanDerWaalsContact CZ-OE2 3.28Å; R216-E532 IonicContact NH1-OE1 3.95Å; R216-E532 IonicContact NH1-OE2 3.72Å; R216-E532 PolarHBondContact NH1-OE2 3.34Å; R216-E532 VanDerWaalsContact NH2-CD 3.27Å; R216-E532 IonicContact NH2-OE1 3.24Å; R216-E532 PolarHBondContact NH2-OE1 2.79Å; R216-E532 IonicContact NH2-OE2 3.54Å; R216-E532 PolarHBondContact NH2-OE2 2.94Å; L219-E532 HydrophobicContact CD2-CB 4.35Å; L223-E532 HydrophobicContact CD1-CB 4.38Å; L223-E532 HydrophobicContact CD1-CG 3.97Å; L223-E532 WeakPolarHBondContact CD1-OE1 3.3Å; Y528-E532 HydrophobicContact CD1-CG 4.25Å; Y528-E532 HydrophobicContact CE1-CG 3.94Å; Y528-E532 WeakPolarHBondContact CE1-OE1 3.4Å; Y528-E532 PolarHBondContact O-N 2.95Å; A529-E532 CarbonylContact O-C 3.58Å; A529-E532 WeakPolarHBondContact O-CA 3.38Å; A529-E532 PolarHBondContact O-N 2.68Å; V530-E532 PolarHBondContact O-N 3.39Å; E532-A534 VanDerWaalsContact C-N 3.25Å; E532-A534 PolarHBondContact O-N 3.46Å; E532-R544 PolarHBondContact O-NE 3.06Å; E532-R544 PolarHBondContact O-NH2 3.48Å
533	Y	98.6	Very high	98.5	Very high	10 Å²	10	12.1 Å²	12.1	4%	0.039	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	15.5	170.6	-46.6	-74.2	0	0	0	115.7	L43 P44 R46 I49 F92 L223 I226 N234 A529 V530 C535	L43-Y533 HydrophobicContact CD1-CE2 4.26Å; P44-Y533 WeakPolarHBondContact O-CE1 3.34Å; P44-Y533 PolarHBondContact O-OH 2.86Å; R46-Y533 HydrophobicContact CB-CD1 4.42Å; I49-Y533 HydrophobicContact CD1-CE1 3.71Å; F92-Y533 HydrophobicContact CE2-CD2 4.3Å; F92-Y533 HydrophobicContact CE2-CG 4.44Å; L223-Y533 HydrophobicContact CD2-CD2 3.88Å; L223-Y533 HydrophobicContact CD2-CE2 3.61Å; I226-Y533 HydrophobicContact CD1-CD2 4.22Å; I226-Y533 HydrophobicContact CD1-CE2 3.42Å; I226-Y533 VanDerWaalsContact CD1-CE2 3.42Å; N234-Y533 PolarHBondContact ND2-O 3.24Å; A529-Y533 PolarHBondContact O-N 3.11Å; V530-Y533 PolarHBondContact O-N 2.96Å; Y533-C535 PolarHBondContact O-N 2.87Å; Y533-C535 VanDerWaalsContact O-N 3.17Å; Y533-C535 PolarHBondContact O-SG 2.67Å
534	A	98.7	Very high	98.5	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.008	6%	0.058	C	C	.	.			trans	-65.5	117.1	169.5	0	0	0	0	0	109.2	A529 E532 D539 R544 M566	A529-A534 HydrophobicContact CB-CB 3.95Å; A529-A534 VanDerWaalsContact O-CB 3.23Å; A529-A534 WeakPolarHBondContact O-CB 3.35Å; A529-A534 PolarHBondContact O-N 2.81Å; E532-A534 VanDerWaalsContact C-N 3.25Å; E532-A534 PolarHBondContact O-N 3.46Å; A534-D539 HydrophobicContact CB-CB 3.93Å; A534-R544 HydrophobicContact CB-CG 4.26Å; A534-M566 HydrophobicContact CB-CE 4.45Å
535	C	98.6	Very high	98.4	Very high	15 Å²	15	11.4 Å²	11.4	10%	0.101	6%	0.057	C	C	.	.			trans	-109.7	-16.3	-175.9	-62.6	0	0	0	0	112.8	L262 Y533 D539 W572	L262-C535 HydrophobicContact CD1-CB 3.56Å; L262-C535 HydrophobicContact CD2-CB 4.38Å; Y533-C535 PolarHBondContact O-N 2.87Å; Y533-C535 VanDerWaalsContact O-N 3.17Å; Y533-C535 PolarHBondContact O-SG 2.67Å; C535-D539 PolarHBondContact N-OD2 3.01Å; C535-W572 WeakPolarHBondContact O-CZ2 3.16Å
536	T	98.7	Very high	98.3	Very high	16 Å²	16	11.4 Å²	11.4	10%	0.098	6%	0.057	C	C	.	.	S	Bend	trans	-130.1	159.8	-180	75	0	0	0	0	111.4	V538 D539 F540 M566	T536-V538 PolarHBondContact O-N 3.17Å; T536-V538 PolarHBondContact OG1-N 3.03Å; T536-D539 PolarHBondContact N-OD2 3.37Å; T536-D539 WeakPolarHBondContact O-CB 3.5Å; T536-D539 PolarHBondContact O-N 2.96Å; T536-D539 VanDerWaalsContact O-N 3.13Å; T536-D539 PolarHBondContact OG1-N 2.98Å; T536-D539 VanDerWaalsContact OG1-N 3.08Å; T536-D539 PolarHBondContact OG1-OD1 2.88Å; T536-D539 PolarHBondContact OG1-OD2 3.32Å; T536-F540 PolarHBondContact O-N 3.49Å; T536-M566 VanDerWaalsContact O-CE 3.29Å; T536-M566 WeakPolarHBondContact O-CE 3.41Å
537	T	98.7	Very high	98.3	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-58.2	-35.8	172.6	43.9	0	0	0	0	112.2	F540 L541 L559 V562 V563 M566 W572 Q580 A584	T537-F540 PolarHBondContact O-N 2.87Å; T537-L541 WeakPolarHBondContact O-CG 3.34Å; T537-L541 PolarHBondContact O-N 3.46Å; T537-L559 HydrophobicContact CG2-CD1 4.09Å; T537-V562 HydrophobicContact CG2-CG1 4.42Å; T537-V563 HydrophobicContact CG2-CG2 3.63Å; T537-M566 HydrophobicContact CG2-SD 4.26Å; T537-W572 HydrophobicContact CG2-CH2 4.12Å; T537-W572 HydrophobicContact CG2-CZ3 4.09Å; T537-Q580 HydrophobicContact CG2-CB 3.88Å; T537-Q580 PolarHBondContact OG1-O 2.9Å; T537-Q580 PolarHBondContact OG1-OE1 3.31Å; T537-A584 WeakPolarHBondContact OG1-CB 3.45Å
538	V	98.6	Very high	98.3	Very high	19 Å²	19	10.7 Å²	10.7	12%	0.115	5%	0.053	C	C	.	.	H	α-helix	trans	-63.8	-40.9	175.7	178.1	0	0	0	0	110.7	T536 F540 S542 A584 F587	T536-V538 PolarHBondContact O-N 3.17Å; T536-V538 PolarHBondContact OG1-N 3.03Å; V538-F540 VanDerWaalsContact C-N 3.25Å; V538-F540 PolarHBondContact O-N 3.22Å; V538-S542 WeakPolarHBondContact O-CA 3.34Å; V538-S542 WeakPolarHBondContact O-CB 3.39Å; V538-S542 PolarHBondContact O-N 3.03Å; V538-S542 PolarHBondContact O-OG 3.32Å; V538-A584 HydrophobicContact CG2-CB 4.46Å; V538-F587 HydrophobicContact CG1-CD1 4.13Å; V538-F587 HydrophobicContact CG1-CD2 3.68Å; V538-F587 HydrophobicContact CG1-CE1 4.25Å; V538-F587 HydrophobicContact CG1-CE2 3.83Å; V538-F587 HydrophobicContact CG1-CG 3.85Å; V538-F587 HydrophobicContact CG1-CZ 4.11Å; V538-F587 HydrophobicContact CG2-CB 3.86Å; V538-F587 HydrophobicContact CG2-CD2 4.47Å; V538-F587 HydrophobicContact CG2-CG 4.06Å
539	D	98.8	Very high	98.3	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.051	C	C	.	.	I	π-helix	trans	-57.1	-42.1	177.3	-60.2	-14.3	0	0	0	111.9	D91 H235 A534 C535 T536 R543 R544	D91-D539 HydrophobicContact CB-CB 4.4Å; D91-D539 WeakPolarHBondContact CB-OD1 3.46Å; D91-D539 VanDerWaalsContact CG-CG 3.49Å; D91-D539 WeakPolarHBondContact OD2-CB 3.31Å; H235-D539 IonicContact CD2-OD2 3.6Å; H235-D539 IonicContact CE1-OD1 3.93Å; H235-D539 IonicContact CE1-OD2 2.69Å; H235-D539 IonicContact NE2-OD1 3.03Å; H235-D539 IonicContact NE2-OD2 3.18Å; H235-D539 PolarHBondContact NE2-OD2 3.49Å; A534-D539 HydrophobicContact CB-CB 3.93Å; C535-D539 PolarHBondContact N-OD2 3.01Å; T536-D539 PolarHBondContact N-OD2 3.37Å; T536-D539 WeakPolarHBondContact O-CB 3.5Å; T536-D539 PolarHBondContact O-N 2.96Å; T536-D539 VanDerWaalsContact O-N 3.13Å; T536-D539 PolarHBondContact OG1-N 2.98Å; T536-D539 VanDerWaalsContact OG1-N 3.08Å; T536-D539 PolarHBondContact OG1-OD1 2.88Å; T536-D539 PolarHBondContact OG1-OD2 3.32Å; D539-R543 WeakPolarHBondContact O-CB 3.37Å; D539-R543 PolarHBondContact O-N 3.16Å; D539-R543 VanDerWaalsContact O-N 3.08Å; D539-R543 IonicContact OD1-CZ 2.7Å; D539-R543 IonicContact OD1-NH2 3.32Å; D539-R543 PolarHBondContact OD1-NH2 2.85Å; D539-R544 PolarHBondContact O-N 3.49Å; D539-R544 PolarHBondContact O-NH1 3.12Å; D539-R544 VanDerWaalsContact O-NH1 3.15Å
540	F	98.8	Very high	98.2	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.051	C	C	.	.	I	π-helix	trans	-68.9	-61.8	178.1	177.2	-103.1	0	0	0	111.7	L515 E525 V526 A529 T536 T537 V538 S542 R544 T545 V562 M566	L515-F540 HydrophobicContact CD1-CE1 3.72Å; L515-F540 HydrophobicContact CD1-CZ 3.73Å; E525-F540 HydrophobicContact CB-CE2 4.17Å; E525-F540 HydrophobicContact CB-CZ 4.49Å; V526-F540 HydrophobicContact CB-CE2 4.22Å; V526-F540 HydrophobicContact CB-CZ 4.3Å; V526-F540 HydrophobicContact CG2-CD1 4.46Å; V526-F540 HydrophobicContact CG2-CE1 3.79Å; V526-F540 HydrophobicContact CG2-CE2 3.85Å; V526-F540 HydrophobicContact CG2-CZ 3.43Å; V526-F540 VanDerWaalsContact CG2-CZ 3.43Å; A529-F540 HydrophobicContact CB-CD2 3.58Å; A529-F540 HydrophobicContact CB-CE2 4.14Å; T536-F540 PolarHBondContact O-N 3.49Å; T537-F540 PolarHBondContact O-N 2.87Å; V538-F540 VanDerWaalsContact C-N 3.25Å; V538-F540 PolarHBondContact O-N 3.22Å; F540-S542 VanDerWaalsContact C-N 3.3Å; F540-S542 PolarHBondContact O-N 3.42Å; F540-R544 HydrophobicContact CD2-CB 3.93Å; F540-R544 HydrophobicContact CD2-CG 4.45Å; F540-R544 HydrophobicContact CE2-CB 4.43Å; F540-R544 PolarHBondContact O-N 2.8Å; F540-T545 HydrophobicContact CD2-CG2 4.41Å; F540-T545 HydrophobicContact CE1-CG2 3.96Å; F540-T545 HydrophobicContact CE2-CG2 3.59Å; F540-T545 HydrophobicContact CZ-CG2 3.33Å; F540-T545 PolarHBondContact O-N 3.03Å; F540-T545 VanDerWaalsContact O-N 3.13Å; F540-T545 PolarHBondContact O-OG1 3.35Å; F540-V562 HydrophobicContact CD1-CB 4.45Å; F540-V562 HydrophobicContact CD1-CG1 3.51Å; F540-V562 HydrophobicContact CD1-CG2 4Å; F540-V562 HydrophobicContact CE1-CG1 4.04Å; F540-V562 HydrophobicContact CE1-CG2 3.7Å; F540-V562 HydrophobicContact CG-CG1 4.26Å; F540-M566 HydrophobicContact CB-SD 3.91Å
541	L	98.6	Very high	98	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.005	5%	0.046	C	C	.	.	I	π-helix	trans	-62.7	-37.6	-173.5	-69.9	179.3	0	0	0	112.4	T537 R546 F547 A548 L559 V562 A584	T537-L541 WeakPolarHBondContact O-CG 3.34Å; T537-L541 PolarHBondContact O-N 3.46Å; L541-R546 CarbonylContact O-C 3.46Å; L541-R546 PolarHBondContact O-N 3.17Å; L541-F547 HydrophobicContact CD2-CB 4.33Å; L541-F547 HydrophobicContact CD2-CD1 4.22Å; L541-F547 PolarHBondContact O-N 3.24Å; L541-A548 HydrophobicContact CB-CB 4.07Å; L541-A548 PolarHBondContact O-N 3.12Å; L541-A548 VanDerWaalsContact O-N 3.07Å; L541-L559 HydrophobicContact CD1-CD1 3.82Å; L541-V562 HydrophobicContact CD2-CG2 4.3Å; L541-A584 HydrophobicContact CD1-CB 4.25Å
542	S	98	Very high	97.9	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.024	C	C	.	.	I	π-helix	trans	-83.1	-49.9	-178.8	74.3	0	0	0	0	111.8	V538 F540 R546	V538-S542 WeakPolarHBondContact O-CA 3.34Å; V538-S542 WeakPolarHBondContact O-CB 3.39Å; V538-S542 PolarHBondContact O-N 3.03Å; V538-S542 PolarHBondContact O-OG 3.32Å; F540-S542 VanDerWaalsContact C-N 3.3Å; F540-S542 PolarHBondContact O-N 3.42Å; S542-R546 WeakPolarHBondContact O-CA 3.38Å; S542-R546 WeakPolarHBondContact O-CD 3.48Å; S542-R546 PolarHBondContact O-NE 2.86Å; S542-R546 PolarHBondContact O-NH1 2.83Å
543	R	98.1	Very high	97.4	Very high	7 Å²	7	9 Å²	9	3%	0.026	4%	0.043	C	C	.	.	I	π-helix	trans	-112.1	-21.1	-163.7	-72.5	165.5	-73.9	-99.5	12.8	114.9	D90 D91 F92 A215 D539	D90-R543 IonicContact OD2-CZ 2.82Å; D90-R543 IonicContact OD2-NH1 2.79Å; D90-R543 IonicContact OD2-NH2 2.76Å; D90-R543 PolarHBondContact OD2-NH2 3.45Å; D91-R543 WeakPolarHBondContact OD2-CD 3.33Å; D91-R543 IonicContact OD2-CZ 3.69Å; D91-R543 IonicContact OD2-NE 3.99Å; D91-R543 PolarHBondContact OD2-NE 3.5Å; D91-R543 IonicContact OD2-NH2 2.74Å; F92-R543 WeakPolarHBondContact O-CD 3.44Å; A215-R543 HydrophobicContact CB-CB 4.21Å; A215-R543 HydrophobicContact CB-CG 4.1Å; D539-R543 WeakPolarHBondContact O-CB 3.37Å; D539-R543 PolarHBondContact O-N 3.16Å; D539-R543 VanDerWaalsContact O-N 3.08Å; D539-R543 IonicContact OD1-CZ 2.7Å; D539-R543 IonicContact OD1-NH2 3.32Å; D539-R543 PolarHBondContact OD1-NH2 2.85Å
544	R	98.3	Very high	97.2	Very high	1 Å²	1	8.6 Å²	8.6	0%	0.004	4%	0.041	C	C	.	.	I	π-helix	trans	-90.9	-42.9	178.3	-54.6	-48.2	-173.5	-82.5	11.8	112.7	D91 L219 A529 E532 A534 D539 F540	D91-R544 IonicContact OD1-CZ 3.58Å; D91-R544 IonicContact OD1-NH1 2.89Å; D91-R544 IonicContact OD1-NH2 3.28Å; D91-R544 PolarHBondContact OD1-NH2 3.28Å; D91-R544 VanDerWaalsContact OD1-NH2 3.13Å; D91-R544 IonicContact OD2-CZ 2.73Å; D91-R544 IonicContact OD2-NH1 3.11Å; D91-R544 PolarHBondContact OD2-NH1 3.13Å; D91-R544 IonicContact OD2-NH2 3.28Å; D91-R544 PolarHBondContact OD2-NH2 3.5Å; L219-R544 VanDerWaalsContact CD2-CD 3.48Å; L219-R544 VanDerWaalsContact CD2-NE 3.33Å; A529-R544 HydrophobicContact CB-CB 4.05Å; A529-R544 HydrophobicContact CB-CG 3.72Å; E532-R544 PolarHBondContact O-NE 3.06Å; E532-R544 PolarHBondContact O-NH2 3.48Å; A534-R544 HydrophobicContact CB-CG 4.26Å; D539-R544 PolarHBondContact O-N 3.49Å; D539-R544 PolarHBondContact O-NH1 3.12Å; D539-R544 VanDerWaalsContact O-NH1 3.15Å; F540-R544 HydrophobicContact CD2-CB 3.93Å; F540-R544 HydrophobicContact CD2-CG 4.45Å; F540-R544 HydrophobicContact CE2-CB 4.43Å; F540-R544 PolarHBondContact O-N 2.8Å
545	T	97.3	Very high	97.1	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.012	4%	0.041	C	C	.	.	S	Bend	trans	-105.9	-23	177.4	54.4	0	0	0	0	113.7	Y521 F540 F547	Y521-T545 HydrophobicContact CD1-CG2 3.67Å; Y521-T545 HydrophobicContact CE1-CG2 4.29Å; Y521-T545 WeakPolarHBondContact CE1-O 3.28Å; Y521-T545 HydrophobicContact CG-CG2 3.93Å; Y521-T545 PolarHBondContact OH-O 2.79Å; Y521-T545 VanDerWaalsContact OH-O 3.07Å; F540-T545 HydrophobicContact CD2-CG2 4.41Å; F540-T545 HydrophobicContact CE1-CG2 3.96Å; F540-T545 HydrophobicContact CE2-CG2 3.59Å; F540-T545 HydrophobicContact CZ-CG2 3.33Å; F540-T545 PolarHBondContact O-N 3.03Å; F540-T545 VanDerWaalsContact O-N 3.13Å; F540-T545 PolarHBondContact O-OG1 3.35Å; T545-F547 PolarHBondContact O-N 3.49Å; T545-F547 WeakPolarHBondContact OG1-CB 3.13Å; T545-F547 PolarHBondContact OG1-N 3.34Å
546	R	97.7	Very high	96.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.053	C	C	.	.			trans	65.7	13.6	-168.8	-47.6	-58.4	-54.9	171.7	-12.8	114	S98 A215 W334 L335 L541 S542 A548 F549 L550	S98-R546 PolarHBondContact O-NH2 3.41Å; A215-R546 VanDerWaalsContact CB-NH1 3.26Å; W334-R546 HydrophobicContact CH2-CB 3.76Å; W334-R546 HydrophobicContact CH2-CG 4.23Å; W334-R546 HydrophobicContact CZ2-CB 4.12Å; W334-R546 HydrophobicContact CZ2-CG 4.1Å; L335-R546 HydrophobicContact CD1-CB 4.02Å; L335-R546 HydrophobicContact CD1-CG 4.22Å; L541-R546 CarbonylContact O-C 3.46Å; L541-R546 PolarHBondContact O-N 3.17Å; S542-R546 WeakPolarHBondContact O-CA 3.38Å; S542-R546 WeakPolarHBondContact O-CD 3.48Å; S542-R546 PolarHBondContact O-NE 2.86Å; S542-R546 PolarHBondContact O-NH1 2.83Å; R546-A548 VanDerWaalsContact C-N 3.34Å; R546-A548 PolarHBondContact O-N 2.88Å; R546-F549 WeakPolarHBondContact O-CA 3.46Å; R546-F549 WeakPolarHBondContact O-CB 3.31Å; R546-F549 PolarHBondContact O-N 2.87Å; R546-L550 PolarHBondContact O-N 3.36Å
547	F	97.9	Very high	96.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-57.3	-45.5	-175.1	-160.3	177.2	0	0	0	112.4	H516 F519 Y521 L541 T545 F549 L550 N551 A554 A555 A558	H516-F547 HydrophobicContact CB-CE1 4.13Å; H516-F547 HydrophobicContact CB-CZ 3.69Å; F519-F547 HydrophobicContact CB-CE2 4.17Å; F519-F547 HydrophobicContact CB-CZ 4.18Å; F519-F547 HydrophobicContact CD1-CD2 4.36Å; F519-F547 HydrophobicContact CD1-CE2 4.04Å; F519-F547 HydrophobicContact CD2-CD2 4.42Å; F519-F547 AromaticContact CD2-CE2 3.38Å; F519-F547 HydrophobicContact CD2-CE2 3.38Å; F519-F547 AromaticContact CD2-CZ 3.73Å; F519-F547 HydrophobicContact CD2-CZ 3.73Å; F519-F547 HydrophobicContact CE1-CE2 4.3Å; F519-F547 AromaticContact CE2-CE2 3.71Å; F519-F547 HydrophobicContact CE2-CE2 3.71Å; F519-F547 HydrophobicContact CE2-CZ 4.38Å; F519-F547 HydrophobicContact CG-CD2 4.28Å; F519-F547 AromaticContact CG-CE2 3.57Å; F519-F547 HydrophobicContact CG-CE2 3.57Å; F519-F547 HydrophobicContact CG-CZ 4Å; F519-F547 HydrophobicContact CZ-CE2 4.16Å; Y521-F547 HydrophobicContact CD2-CB 3.98Å; Y521-F547 AromaticContact CD2-CD1 3.68Å; Y521-F547 HydrophobicContact CD2-CD1 3.68Å; Y521-F547 AromaticContact CD2-CD2 4Å; Y521-F547 HydrophobicContact CD2-CD2 4Å; Y521-F547 HydrophobicContact CD2-CE1 4.06Å; Y521-F547 HydrophobicContact CD2-CE2 4.36Å; Y521-F547 AromaticContact CD2-CG 3.64Å; Y521-F547 HydrophobicContact CD2-CG 3.64Å; Y521-F547 HydrophobicContact CD2-CZ 4.39Å; Y521-F547 HydrophobicContact CE2-CB 3.8Å; Y521-F547 HydrophobicContact CE2-CD1 4.22Å; Y521-F547 AromaticContact CE2-CD2 3.75Å; Y521-F547 HydrophobicContact CE2-CD2 3.75Å; Y521-F547 HydrophobicContact CE2-CE2 4.34Å; Y521-F547 AromaticContact CE2-CG 3.68Å; Y521-F547 HydrophobicContact CE2-CG 3.68Å; L541-F547 HydrophobicContact CD2-CB 4.33Å; L541-F547 HydrophobicContact CD2-CD1 4.22Å; L541-F547 PolarHBondContact O-N 3.24Å; T545-F547 PolarHBondContact O-N 3.49Å; T545-F547 WeakPolarHBondContact OG1-CB 3.13Å; T545-F547 PolarHBondContact OG1-N 3.34Å; F547-F549 PolarHBondContact O-N 3.26Å; F547-L550 PolarHBondContact O-N 3.33Å; F547-N551 PolarHBondContact O-N 2.87Å; F547-N551 VanDerWaalsContact O-N 3.1Å; F547-A554 HydrophobicContact CE2-CB 3.54Å; F547-A554 VanDerWaalsContact CZ-C 3.41Å; F547-A554 HydrophobicContact CZ-CB 3.69Å; F547-A554 VanDerWaalsContact CZ-O 3.24Å; F547-A554 WeakPolarHBondContact CZ-O 3.16Å; F547-A555 HydrophobicContact CB-CB 4.47Å; F547-A555 HydrophobicContact CD1-CB 4.36Å; F547-A555 HydrophobicContact CD2-CB 4.1Å; F547-A555 HydrophobicContact CE2-CB 4.48Å; F547-A555 HydrophobicContact CG-CB 4.03Å; F547-A558 HydrophobicContact CD1-CB 4.31Å; F547-A558 HydrophobicContact CE1-CB 3.55Å; F547-A558 HydrophobicContact CZ-CB 4.33Å
548	A	98	Very high	96.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-61.6	-27.6	176.9	0	0	0	0	0	113.5	L541 R546 L550 F587 L588 M592	L541-A548 HydrophobicContact CB-CB 4.07Å; L541-A548 PolarHBondContact O-N 3.12Å; L541-A548 VanDerWaalsContact O-N 3.07Å; R546-A548 VanDerWaalsContact C-N 3.34Å; R546-A548 PolarHBondContact O-N 2.88Å; A548-L550 VanDerWaalsContact C-N 3.33Å; A548-F587 HydrophobicContact CB-CD1 4.33Å; A548-F587 HydrophobicContact CB-CE1 3.85Å; A548-L588 HydrophobicContact CB-CD2 3.55Å; A548-M592 HydrophobicContact CB-CG 4.1Å; A548-M592 HydrophobicContact CB-SD 4.27Å; A548-M592 WeakPolarHBondContact O-CG 3.34Å
549	F	97.9	Very high	96.6	Very high	1 Å²	1	16.3 Å²	16.3	0%	0.004	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-84.9	-5.4	177.6	-85.1	-106.5	0	0	0	113	R99 I306 W334 S384 W386 R546 F547 F587 M592	R99-F549 HydrophobicContact CG-CE1 3.93Å; R99-F549 HydrophobicContact CG-CZ 3.88Å; I306-F549 WeakPolarHBondContact CG1-O 3.48Å; W334-F549 HydrophobicContact CH2-CB 3.93Å; W334-F549 HydrophobicContact CZ3-CB 4.21Å; S384-F549 VanDerWaalsContact OG-C 3.24Å; S384-F549 PolarHBondContact OG-O 3.28Å; W386-F549 HydrophobicContact CB-CD1 4.46Å; W386-F549 HydrophobicContact CB-CE1 4.19Å; W386-F549 AromaticContact CD1-CD1 3.5Å; W386-F549 AromaticContact CD2-CD1 3.72Å; W386-F549 HydrophobicContact CD2-CD1 3.72Å; W386-F549 AromaticContact CD2-CE1 3.6Å; W386-F549 HydrophobicContact CD2-CE1 3.6Å; W386-F549 AromaticContact CE2-CD1 3.64Å; W386-F549 AromaticContact CE2-CE1 3.96Å; W386-F549 HydrophobicContact CE3-CE1 4.02Å; W386-F549 AromaticContact CG-CD1 3.64Å; W386-F549 HydrophobicContact CG-CD1 3.64Å; W386-F549 AromaticContact CG-CE1 3.66Å; W386-F549 HydrophobicContact CG-CE1 3.66Å; W386-F549 HydrophobicContact CZ2-CD1 4.38Å; W386-F549 AromaticContact NE1-CD1 3.5Å; R546-F549 WeakPolarHBondContact O-CA 3.46Å; R546-F549 WeakPolarHBondContact O-CB 3.31Å; R546-F549 PolarHBondContact O-N 2.87Å; F547-F549 PolarHBondContact O-N 3.26Å; F549-F587 HydrophobicContact CE2-CZ 4.23Å; F549-M592 HydrophobicContact CD1-SD 4.38Å; F549-M592 HydrophobicContact CD2-CE 4.36Å; F549-M592 HydrophobicContact CD2-SD 3.55Å; F549-M592 VanDerWaalsContact CD2-SD 3.55Å; F549-M592 HydrophobicContact CE1-CE 4.36Å; F549-M592 HydrophobicContact CE1-SD 4.44Å; F549-M592 HydrophobicContact CE2-CE 3.82Å; F549-M592 HydrophobicContact CE2-SD 3.6Å; F549-M592 HydrophobicContact CG-SD 3.96Å; F549-M592 HydrophobicContact CZ-CE 3.82Å; F549-M592 HydrophobicContact CZ-SD 4.08Å
550	L	96.7	Very high	96.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-54.3	-179.5	-71.8	167.7	0	0	0	111.1	I306 W334 L335 M337 M383 S384 F519 Y521 R546 F547 A548	I306-L550 WeakPolarHBondContact CG2-O 3.4Å; W334-L550 HydrophobicContact CD2-CD2 4.43Å; W334-L550 HydrophobicContact CE3-CD2 3.37Å; W334-L550 HydrophobicContact CE3-CG 4.33Å; W334-L550 HydrophobicContact CH2-CD2 4.17Å; W334-L550 HydrophobicContact CH2-CG 4.3Å; W334-L550 HydrophobicContact CZ3-CD2 3.22Å; W334-L550 HydrophobicContact CZ3-CG 3.7Å; L335-L550 HydrophobicContact CB-CD1 4.03Å; L335-L550 HydrophobicContact CB-CD2 3.98Å; L335-L550 HydrophobicContact CD1-CD1 3.99Å; M337-L550 HydrophobicContact CB-CD2 4.07Å; M337-L550 HydrophobicContact CG-CD2 3.81Å; M383-L550 WeakPolarHBondContact CB-O 3.3Å; S384-L550 PolarHBondContact OG-O 2.87Å; F519-L550 HydrophobicContact CE1-CB 4.24Å; F519-L550 HydrophobicContact CE1-CD1 4.33Å; Y521-L550 HydrophobicContact CE2-CD1 4.36Å; Y521-L550 WeakPolarHBondContact OH-CD1 3.43Å; R546-L550 PolarHBondContact O-N 3.36Å; F547-L550 PolarHBondContact O-N 3.33Å; A548-L550 VanDerWaalsContact C-N 3.33Å
551	N	95.1	Very high	96.6	Very high	13 Å²	13	22.5 Å²	22.5	7%	0.07	11%	0.106	C	C	.	.			trans	-148.3	114.3	-175.8	-174.4	-38.7	0	0	0	109.8	M383 F519 F547 Y553 A554 A555	M383-N551 HydrophobicContact CB-CB 4.26Å; M383-N551 WeakPolarHBondContact O-CA 3.47Å; F519-N551 HydrophobicContact CE2-CB 4.14Å; F519-N551 HydrophobicContact CZ-CB 3.64Å; F547-N551 PolarHBondContact O-N 2.87Å; F547-N551 VanDerWaalsContact O-N 3.1Å; N551-Y553 WeakPolarHBondContact OD1-CB 3.19Å; N551-Y553 PolarHBondContact OD1-N 2.86Å; N551-A554 HydrophobicContact CB-CB 4.16Å; N551-A554 PolarHBondContact OD1-N 2.71Å; N551-A555 WeakPolarHBondContact O-CB 3.3Å; N551-A555 PolarHBondContact O-N 3.31Å; N551-A555 VanDerWaalsContact O-N 3.12Å
552	T	94.5	Very high	96.6	Very high	4 Å²	4	22.4 Å²	22.4	3%	0.025	11%	0.106	C	C	.	.	H	α-helix	trans	-69.4	-37	-177.9	52.1	0	0	0	0	112.6	M383 A555 E556 L588 M592 A594	M383-T552 PolarHBondContact O-N 2.84Å; M383-T552 PolarHBondContact O-OG1 3.42Å; T552-A555 PolarHBondContact O-N 3.03Å; T552-E556 WeakPolarHBondContact O-CB 2.95Å; T552-E556 PolarHBondContact O-N 2.99Å; T552-L588 HydrophobicContact CG2-CD2 4.3Å; T552-M592 HydrophobicContact CG2-CB 3.61Å; T552-M592 WeakPolarHBondContact CG2-O 3.37Å; T552-A594 HydrophobicContact CG2-CB 4.11Å
553	Y	88.7	Confident	96.7	Very high	98 Å²	98	23 Å²	23	38%	0.384	11%	0.109	S	C	.	.	H	α-helix	trans	-65.9	-53.4	-180	-61	-65.7	0	0	0	111.4	N551 A555 E556 E557 K663	N551-Y553 WeakPolarHBondContact OD1-CB 3.19Å; N551-Y553 PolarHBondContact OD1-N 2.86Å; Y553-A555 VanDerWaalsContact C-N 3.26Å; Y553-A555 PolarHBondContact O-N 3.07Å; Y553-E556 WeakPolarHBondContact O-CB 3.42Å; Y553-E556 PolarHBondContact O-N 2.81Å; Y553-E557 WeakPolarHBondContact O-CG 3.46Å; Y553-E557 PolarHBondContact O-N 2.73Å; Y553-K663 VanDerWaalsContact CE1-NZ 3.31Å; Y553-K663 PolarHBondContact OH-NZ 2.87Å; Y553-K663 VanDerWaalsContact OH-NZ 3.08Å
554	A	92.7	Very high	96.7	Very high	2 Å²	2	26.2 Å²	26.2	2%	0.017	13%	0.125	C	C	.	.	H	α-helix	trans	-64.1	-33	178.9	0	0	0	0	0	112.1	F519 F547 N551 A558	F519-A554 HydrophobicContact CD2-CB 3.92Å; F519-A554 HydrophobicContact CE2-CB 3.49Å; F519-A554 VanDerWaalsContact CE2-CB 3.49Å; F519-A554 HydrophobicContact CZ-CB 4.44Å; F547-A554 HydrophobicContact CE2-CB 3.54Å; F547-A554 VanDerWaalsContact CZ-C 3.41Å; F547-A554 HydrophobicContact CZ-CB 3.69Å; F547-A554 VanDerWaalsContact CZ-O 3.24Å; F547-A554 WeakPolarHBondContact CZ-O 3.16Å; N551-A554 HydrophobicContact CB-CB 4.16Å; N551-A554 PolarHBondContact OD1-N 2.71Å; A554-A558 WeakPolarHBondContact O-CB 3.5Å; A554-A558 PolarHBondContact O-N 3.19Å; A554-A558 VanDerWaalsContact O-N 3.11Å
555	A	97	Very high	96.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-67.7	-37.7	173.4	0	0	0	0	0	112.5	F547 N551 T552 Y553 L559 L588	F547-A555 HydrophobicContact CB-CB 4.47Å; F547-A555 HydrophobicContact CD1-CB 4.36Å; F547-A555 HydrophobicContact CD2-CB 4.1Å; F547-A555 HydrophobicContact CE2-CB 4.48Å; F547-A555 HydrophobicContact CG-CB 4.03Å; N551-A555 WeakPolarHBondContact O-CB 3.3Å; N551-A555 PolarHBondContact O-N 3.31Å; N551-A555 VanDerWaalsContact O-N 3.12Å; T552-A555 PolarHBondContact O-N 3.03Å; Y553-A555 VanDerWaalsContact C-N 3.26Å; Y553-A555 PolarHBondContact O-N 3.07Å; A555-L559 WeakPolarHBondContact O-CB 3.43Å; A555-L559 PolarHBondContact O-N 2.81Å; A555-L559 VanDerWaalsContact O-N 3.12Å; A555-L588 HydrophobicContact CB-CD1 4.28Å; A555-L588 HydrophobicContact CB-CD2 3.91Å
556	E	94.4	Very high	96.8	Very high	77 Å²	77	26.2 Å²	26.2	36%	0.36	13%	0.125	S	C	.	.	H	α-helix	trans	-66.7	-43.6	175	-173.4	167.5	-154.4	0	0	111.6	T552 Y553 A558 L559 P560 L588	T552-E556 WeakPolarHBondContact O-CB 2.95Å; T552-E556 PolarHBondContact O-N 2.99Å; Y553-E556 WeakPolarHBondContact O-CB 3.42Å; Y553-E556 PolarHBondContact O-N 2.81Å; E556-A558 VanDerWaalsContact C-N 3.31Å; E556-A558 PolarHBondContact O-N 3.18Å; E556-L559 VanDerWaalsContact O-CB 3.24Å; E556-L559 WeakPolarHBondContact O-CB 3.42Å; E556-L559 PolarHBondContact O-N 2.86Å; E556-L559 VanDerWaalsContact O-N 3.11Å; E556-P560 WeakPolarHBondContact O-CD 3.23Å; E556-L588 HydrophobicContact CB-CD1 3.94Å
557	E	94.8	Very high	96.8	Very high	136 Å²	136	26.3 Å²	26.3	64%	0.636	13%	0.126	S	C	*	.	H	α-helix	trans	-62.5	-36.7	175.9	-70.9	179.6	-160	0	0	112.8	H516 Y553 L559 P560	H516-E557 IonicContact CD2-OE2 3.75Å; H516-E557 PolarHBondContact CD2-OE2 3.31Å; H516-E557 IonicContact NE2-OE2 3.67Å; H516-E557 PolarHBondContact NE2-OE2 2.85Å; Y553-E557 WeakPolarHBondContact O-CG 3.46Å; Y553-E557 PolarHBondContact O-N 2.73Å; E557-L559 VanDerWaalsContact C-N 3.32Å; E557-P560 WeakPolarHBondContact O-CD 3.48Å
558	A	97.7	Very high	96.8	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-75.7	-20.2	176.3	0	0	0	0	0	113.5	L515 F547 A554 E556 R561 V562	L515-A558 HydrophobicContact CB-CB 4.14Å; F547-A558 HydrophobicContact CD1-CB 4.31Å; F547-A558 HydrophobicContact CE1-CB 3.55Å; F547-A558 HydrophobicContact CZ-CB 4.33Å; A554-A558 WeakPolarHBondContact O-CB 3.5Å; A554-A558 PolarHBondContact O-N 3.19Å; A554-A558 VanDerWaalsContact O-N 3.11Å; E556-A558 VanDerWaalsContact C-N 3.31Å; E556-A558 PolarHBondContact O-N 3.18Å; A558-R561 PolarHBondContact O-N 2.95Å; A558-V562 WeakPolarHBondContact O-CG2 3.32Å; A558-V562 PolarHBondContact O-N 3.13Å; A558-V562 VanDerWaalsContact O-N 3.11Å
559	L	98.4	Very high	96.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-58.8	-43.8	-169.3	177.5	60.9	0	0	0	113.9	T537 L541 A555 E556 E557 R561 V562 V563 M581 A584	T537-L559 HydrophobicContact CG2-CD1 4.09Å; L541-L559 HydrophobicContact CD1-CD1 3.82Å; A555-L559 WeakPolarHBondContact O-CB 3.43Å; A555-L559 PolarHBondContact O-N 2.81Å; A555-L559 VanDerWaalsContact O-N 3.12Å; E556-L559 VanDerWaalsContact O-CB 3.24Å; E556-L559 WeakPolarHBondContact O-CB 3.42Å; E556-L559 PolarHBondContact O-N 2.86Å; E556-L559 VanDerWaalsContact O-N 3.11Å; E557-L559 VanDerWaalsContact C-N 3.32Å; L559-R561 VanDerWaalsContact C-N 3.26Å; L559-R561 PolarHBondContact O-N 3.14Å; L559-V562 PolarHBondContact O-N 2.95Å; L559-V562 VanDerWaalsContact O-N 3.14Å; L559-V563 HydrophobicContact CD1-CG2 3.84Å; L559-V563 HydrophobicContact CG-CG2 4.22Å; L559-V563 WeakPolarHBondContact O-CG2 3.48Å; L559-V563 PolarHBondContact O-N 3.49Å; L559-M581 HydrophobicContact CB-CE 4.26Å; L559-M581 HydrophobicContact CB-SD 4.41Å; L559-M581 HydrophobicContact CD2-CE 3.61Å; L559-M581 HydrophobicContact CD2-CG 4.41Å; L559-M581 HydrophobicContact CD2-SD 3.65Å; L559-M581 HydrophobicContact CG-CE 3.88Å; L559-M581 HydrophobicContact CG-SD 3.56Å; L559-M581 VanDerWaalsContact CG-SD 3.56Å; L559-A584 HydrophobicContact CD1-CB 3.41Å; L559-A584 VanDerWaalsContact CD1-CB 3.41Å; L559-A584 HydrophobicContact CD2-CB 3.57Å; L559-A584 HydrophobicContact CG-CB 4.15Å
560	P	98.6	Very high	96.8	Very high	71 Å²	71	36.9 Å²	36.9	46%	0.461	18%	0.177	S	C	.	.	H	α-helix	trans	-56.2	-41.1	177.9	-26.8	35.4	0	0	0	112.8	E556 E557 V563 E564 M581	E556-P560 WeakPolarHBondContact O-CD 3.23Å; E557-P560 WeakPolarHBondContact O-CD 3.48Å; P560-V563 PolarHBondContact O-N 2.79Å; P560-E564 PolarHBondContact O-N 2.94Å; P560-M581 HydrophobicContact CG-CE 3.97Å; P560-M581 HydrophobicContact CG-SD 4.43Å
561	R	98.4	Very high	96.9	Very high	58 Å²	58	45.8 Å²	45.8	22%	0.219	22%	0.215	C	C	.	.	H	α-helix	trans	-71.1	-38.4	179.2	-174.3	56.1	175.4	166.4	6.6	111.8	L515 E523 A558 L559 E564 L565	L515-R561 HydrophobicContact CD2-CB 4.45Å; L515-R561 HydrophobicContact CD2-CG 4.03Å; E523-R561 VanDerWaalsContact CD-NH2 3.27Å; E523-R561 IonicContact OE1-CZ 2.68Å; E523-R561 IonicContact OE1-NE 2.79Å; E523-R561 PolarHBondContact OE1-NE 3.18Å; E523-R561 IonicContact OE1-NH2 3.39Å; E523-R561 PolarHBondContact OE1-NH2 3.21Å; E523-R561 VanDerWaalsContact OE1-NH2 3.08Å; E523-R561 IonicContact OE2-CZ 3.71Å; E523-R561 IonicContact OE2-NE 3.21Å; E523-R561 IonicContact OE2-NH2 3.49Å; E523-R561 PolarHBondContact OE2-NH2 2.8Å; A558-R561 PolarHBondContact O-N 2.95Å; L559-R561 VanDerWaalsContact C-N 3.26Å; L559-R561 PolarHBondContact O-N 3.14Å; R561-E564 IonicContact CZ-OE2 3.3Å; R561-E564 IonicContact NH1-OE1 3.68Å; R561-E564 PolarHBondContact NH1-OE1 2.71Å; R561-E564 IonicContact NH1-OE2 2.75Å; R561-E564 PolarHBondContact NH1-OE2 2.81Å; R561-E564 PolarHBondContact O-N 2.84Å; R561-L565 HydrophobicContact CG-CD1 4.17Å; R561-L565 WeakPolarHBondContact O-CG 3.33Å; R561-L565 PolarHBondContact O-N 3Å; R561-L565 VanDerWaalsContact O-N 3.07Å
562	V	98.7	Very high	97	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.3	-47.4	173.7	173.7	0	0	0	0	110.8	L515 V526 T537 F540 L541 A558 L559 E564 L565 M566	L515-V562 HydrophobicContact CD1-CG2 3.94Å; L515-V562 HydrophobicContact CD2-CG2 4.08Å; V526-V562 HydrophobicContact CG2-CG2 4.38Å; T537-V562 HydrophobicContact CG2-CG1 4.42Å; F540-V562 HydrophobicContact CD1-CB 4.45Å; F540-V562 HydrophobicContact CD1-CG1 3.51Å; F540-V562 HydrophobicContact CD1-CG2 4Å; F540-V562 HydrophobicContact CE1-CG1 4.04Å; F540-V562 HydrophobicContact CE1-CG2 3.7Å; F540-V562 HydrophobicContact CG-CG1 4.26Å; L541-V562 HydrophobicContact CD2-CG2 4.3Å; A558-V562 WeakPolarHBondContact O-CG2 3.32Å; A558-V562 PolarHBondContact O-N 3.13Å; A558-V562 VanDerWaalsContact O-N 3.11Å; L559-V562 PolarHBondContact O-N 2.95Å; L559-V562 VanDerWaalsContact O-N 3.14Å; V562-E564 VanDerWaalsContact C-N 3.28Å; V562-E564 PolarHBondContact O-N 3.5Å; V562-L565 PolarHBondContact O-N 3.19Å; V562-M566 HydrophobicContact CG1-CG 4.2Å; V562-M566 HydrophobicContact CG1-SD 4.02Å; V562-M566 WeakPolarHBondContact O-CB 3.28Å; V562-M566 WeakPolarHBondContact O-CG 3.25Å; V562-M566 PolarHBondContact O-N 3.36Å
563	V	98.8	Very high	97.2	Very high	11 Å²	11	51 Å²	51	7%	0.067	24%	0.241	C	C	.	.	H	α-helix	trans	-58.4	-42	177	170.6	0	0	0	0	111.1	T537 L559 P560 G567 K577 M581	T537-V563 HydrophobicContact CG2-CG2 3.63Å; L559-V563 HydrophobicContact CD1-CG2 3.84Å; L559-V563 HydrophobicContact CG-CG2 4.22Å; L559-V563 WeakPolarHBondContact O-CG2 3.48Å; L559-V563 PolarHBondContact O-N 3.49Å; P560-V563 PolarHBondContact O-N 2.79Å; V563-G567 WeakPolarHBondContact O-CA 3.43Å; V563-G567 PolarHBondContact O-N 3.14Å; V563-K577 HydrophobicContact CG1-CB 3.69Å; V563-K577 HydrophobicContact CG1-CD 4.45Å; V563-K577 HydrophobicContact CG1-CG 3.87Å; V563-M581 HydrophobicContact CG2-CB 4.36Å; V563-M581 HydrophobicContact CG2-SD 4.11Å
564	E	98.6	Very high	97.6	Very high	76 Å²	76	55.4 Å²	55.4	36%	0.355	26%	0.262	S	S	.	.	H	α-helix	trans	-61.9	-50.8	178.7	-168.1	-162.5	153	0	0	111.8	P560 R561 V562 G567 Q568	P560-E564 PolarHBondContact O-N 2.94Å; R561-E564 IonicContact CZ-OE2 3.3Å; R561-E564 IonicContact NH1-OE1 3.68Å; R561-E564 PolarHBondContact NH1-OE1 2.71Å; R561-E564 IonicContact NH1-OE2 2.75Å; R561-E564 PolarHBondContact NH1-OE2 2.81Å; R561-E564 PolarHBondContact O-N 2.84Å; V562-E564 VanDerWaalsContact C-N 3.28Å; V562-E564 PolarHBondContact O-N 3.5Å; E564-G567 PolarHBondContact O-N 3.3Å; E564-Q568 WeakPolarHBondContact O-CG 3.4Å; E564-Q568 PolarHBondContact O-N 3.23Å; E564-Q568 PolarHBondContact OE1-NE2 3.17Å
565	L	98.7	Very high	97.8	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-67.7	-48	-177.5	-69.9	170.7	0	0	0	111.9	L515 E523 V526 R561 V562 G567 Q568 E569	L515-L565 HydrophobicContact CD2-CD1 4.36Å; E523-L565 HydrophobicContact CB-CD1 3.64Å; E523-L565 HydrophobicContact CG-CD1 3.71Å; V526-L565 HydrophobicContact CB-CB 4.21Å; V526-L565 HydrophobicContact CB-CD1 4.27Å; V526-L565 HydrophobicContact CG1-CB 3.76Å; V526-L565 HydrophobicContact CG2-CD1 4.07Å; R561-L565 HydrophobicContact CG-CD1 4.17Å; R561-L565 WeakPolarHBondContact O-CG 3.33Å; R561-L565 PolarHBondContact O-N 3Å; R561-L565 VanDerWaalsContact O-N 3.07Å; V562-L565 PolarHBondContact O-N 3.19Å; L565-G567 VanDerWaalsContact C-N 3.27Å; L565-G567 PolarHBondContact O-N 3.3Å; L565-Q568 WeakPolarHBondContact O-CB 3.42Å; L565-Q568 PolarHBondContact O-N 3.38Å; L565-Q568 VanDerWaalsContact O-N 3.16Å; L565-E569 PolarHBondContact O-N 2.97Å; L565-E569 VanDerWaalsContact O-N 3.12Å
566	M	98.7	Very high	97.9	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-60.3	-41.4	174.4	-70.5	-165.7	69.8	0	0	111.1	V526 V530 A534 T536 T537 F540 V562 Q568 E569 L570 W572	V526-M566 HydrophobicContact CG1-CB 4.4Å; V526-M566 HydrophobicContact CG1-CG 3.34Å; V530-M566 HydrophobicContact CG2-CE 4.28Å; A534-M566 HydrophobicContact CB-CE 4.45Å; T536-M566 VanDerWaalsContact O-CE 3.29Å; T536-M566 WeakPolarHBondContact O-CE 3.41Å; T537-M566 HydrophobicContact CG2-SD 4.26Å; F540-M566 HydrophobicContact CB-SD 3.91Å; V562-M566 HydrophobicContact CG1-CG 4.2Å; V562-M566 HydrophobicContact CG1-SD 4.02Å; V562-M566 WeakPolarHBondContact O-CB 3.28Å; V562-M566 WeakPolarHBondContact O-CG 3.25Å; V562-M566 PolarHBondContact O-N 3.36Å; M566-Q568 VanDerWaalsContact C-N 3.26Å; M566-Q568 PolarHBondContact O-N 3.01Å; M566-E569 PolarHBondContact O-N 3.41Å; M566-L570 HydrophobicContact CE-CD1 3.87Å; M566-L570 WeakPolarHBondContact O-CB 3.24Å; M566-L570 PolarHBondContact O-N 3.49Å; M566-W572 HydrophobicContact CB-CE3 4.34Å; M566-W572 HydrophobicContact CB-CH2 3.63Å; M566-W572 HydrophobicContact CB-CZ2 4.38Å; M566-W572 HydrophobicContact CB-CZ3 3.6Å; M566-W572 HydrophobicContact CE-CH2 3.94Å; M566-W572 HydrophobicContact CE-CZ2 4.29Å; M566-W572 HydrophobicContact CG-CH2 4.49Å; M566-W572 HydrophobicContact SD-CH2 4.16Å
567	G	98.6	Very high	98.1	Very high	3 Å²	3	64 Å²	64	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-66.5	-25.3	178.3	0	0	0	0	0	113.9	V563 E564 L565 K571 W572	V563-G567 WeakPolarHBondContact O-CA 3.43Å; V563-G567 PolarHBondContact O-N 3.14Å; E564-G567 PolarHBondContact O-N 3.3Å; L565-G567 VanDerWaalsContact C-N 3.27Å; L565-G567 PolarHBondContact O-N 3.3Å; G567-K571 CarbonylContact O-C 3.53Å; G567-K571 VanDerWaalsContact O-CA 3.25Å; G567-K571 WeakPolarHBondContact O-CA 3.47Å; G567-K571 PolarHBondContact O-N 3.39Å; G567-K571 VanDerWaalsContact O-N 3.08Å; G567-W572 VanDerWaalsContact CA-CE3 3.45Å; G567-W572 PolarHBondContact O-N 3.06Å
568	Q	98.3	Very high	98.3	Very high	86 Å²	86	65.5 Å²	65.5	40%	0.402	31%	0.305	S	S	.	.	H	α-helix	trans	-71.4	-49.9	170.1	-72.9	167.9	11.4	0	0	110.8	E564 L565 M566 K571	E564-Q568 WeakPolarHBondContact O-CG 3.4Å; E564-Q568 PolarHBondContact O-N 3.23Å; E564-Q568 PolarHBondContact OE1-NE2 3.17Å; L565-Q568 WeakPolarHBondContact O-CB 3.42Å; L565-Q568 PolarHBondContact O-N 3.38Å; L565-Q568 VanDerWaalsContact O-N 3.16Å; M566-Q568 VanDerWaalsContact C-N 3.26Å; M566-Q568 PolarHBondContact O-N 3.01Å; Q568-K571 PolarHBondContact O-N 3.34Å
569	E	97.7	Very high	98.3	Very high	79 Å²	79	71 Å²	71	37%	0.369	33%	0.326	S	S	.	.	H	α-helix	trans	-67.2	-40.2	-177.4	-65.2	-62.5	142.6	0	0	112.8	I527 V530 L565 M566	I527-E569 HydrophobicContact CB-CG 4.49Å; I527-E569 HydrophobicContact CG1-CG 4.17Å; I527-E569 HydrophobicContact CG2-CG 4.34Å; V530-E569 HydrophobicContact CB-CB 4.36Å; V530-E569 HydrophobicContact CG1-CB 4.15Å; V530-E569 HydrophobicContact CG2-CB 4.08Å; L565-E569 PolarHBondContact O-N 2.97Å; L565-E569 VanDerWaalsContact O-N 3.12Å; M566-E569 PolarHBondContact O-N 3.41Å
570	L	97.8	Very high	98.3	Very high	57 Å²	57	71 Å²	71	30%	0.298	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	2.9	-179.4	-65.2	172	0	0	0	113.5	V530 M566 W572	V530-L570 HydrophobicContact CG1-CD2 3.62Å; V530-L570 HydrophobicContact CG1-CG 3.99Å; V530-L570 HydrophobicContact CG2-CD1 4.28Å; V530-L570 HydrophobicContact CG2-CG 4.18Å; M566-L570 HydrophobicContact CE-CD1 3.87Å; M566-L570 WeakPolarHBondContact O-CB 3.24Å; M566-L570 PolarHBondContact O-N 3.49Å; L570-W572 HydrophobicContact CB-CD2 4.49Å; L570-W572 HydrophobicContact CB-CG 4.44Å; L570-W572 HydrophobicContact CB-CZ2 4.46Å; L570-W572 HydrophobicContact CD1-CH2 4.32Å; L570-W572 HydrophobicContact CD1-CZ2 3.47Å; L570-W572 VanDerWaalsContact CD1-CZ2 3.47Å; L570-W572 PolarHBondContact O-N 3.36Å
571	K	97.6	Very high	98.3	Very high	187 Å²	187	70.5 Å²	70.5	81%	0.813	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	43.4	178.3	-54.5	179.2	-178.8	178	0	113.9	G567 Q568	G567-K571 CarbonylContact O-C 3.53Å; G567-K571 VanDerWaalsContact O-CA 3.25Å; G567-K571 WeakPolarHBondContact O-CA 3.47Å; G567-K571 PolarHBondContact O-N 3.39Å; G567-K571 VanDerWaalsContact O-N 3.08Å; Q568-K571 PolarHBondContact O-N 3.34Å
572	W	98.1	Very high	98.3	Very high	34 Å²	34	70.5 Å²	70.5	13%	0.129	33%	0.33	C	S	.	.			trans	-69.9	134.3	177.2	-64.5	-18.8	0	0	0	112.2	C535 T537 M566 G567 L570 E576 K577 Q580	C535-W572 WeakPolarHBondContact O-CZ2 3.16Å; T537-W572 HydrophobicContact CG2-CH2 4.12Å; T537-W572 HydrophobicContact CG2-CZ3 4.09Å; M566-W572 HydrophobicContact CB-CE3 4.34Å; M566-W572 HydrophobicContact CB-CH2 3.63Å; M566-W572 HydrophobicContact CB-CZ2 4.38Å; M566-W572 HydrophobicContact CB-CZ3 3.6Å; M566-W572 HydrophobicContact CE-CH2 3.94Å; M566-W572 HydrophobicContact CE-CZ2 4.29Å; M566-W572 HydrophobicContact CG-CH2 4.49Å; M566-W572 HydrophobicContact SD-CH2 4.16Å; G567-W572 VanDerWaalsContact CA-CE3 3.45Å; G567-W572 PolarHBondContact O-N 3.06Å; L570-W572 HydrophobicContact CB-CD2 4.49Å; L570-W572 HydrophobicContact CB-CG 4.44Å; L570-W572 HydrophobicContact CB-CZ2 4.46Å; L570-W572 HydrophobicContact CD1-CH2 4.32Å; L570-W572 HydrophobicContact CD1-CZ2 3.47Å; L570-W572 VanDerWaalsContact CD1-CZ2 3.47Å; L570-W572 PolarHBondContact O-N 3.36Å; W572-E576 HydrophobicContact CB-CB 4.02Å; W572-E576 HydrophobicContact CB-CG 3.82Å; W572-E576 HydrophobicContact CD2-CG 3.97Å; W572-E576 HydrophobicContact CG-CB 4.26Å; W572-E576 HydrophobicContact CG-CG 3.5Å; W572-K577 HydrophobicContact CB-CG 3.96Å; W572-K577 HydrophobicContact CE3-CG 4.31Å; W572-Q580 HydrophobicContact CD2-CG 4.21Å; W572-Q580 HydrophobicContact CE3-CB 4.29Å; W572-Q580 HydrophobicContact CE3-CG 3.91Å; W572-Q580 HydrophobicContact CH2-CB 4.06Å; W572-Q580 HydrophobicContact CH2-CG 3.55Å; W572-Q580 HydrophobicContact CZ2-CG 3.84Å; W572-Q580 HydrophobicContact CZ3-CB 3.77Å; W572-Q580 HydrophobicContact CZ3-CG 3.58Å
573	N	97.8	Very high	98.2	Very high	94 Å²	94	73.2 Å²	73.2	50%	0.503	34%	0.344	S	S	.	.			trans	-73.5	177.9	168.5	71	15.2	0	0	0	110.8	E575 E576 K577	N573-E575 VanDerWaalsContact C-N 3.33Å; N573-E575 PolarHBondContact O-N 3.01Å; N573-E575 PolarHBondContact OD1-N 3.25Å; N573-E576 PolarHBondContact O-N 3.49Å; N573-E576 VanDerWaalsContact OD1-CB 3.28Å; N573-E576 WeakPolarHBondContact OD1-CB 2.99Å; N573-E576 PolarHBondContact OD1-N 3.42Å; N573-K577 WeakPolarHBondContact O-CG 3Å; N573-K577 PolarHBondContact O-N 3.12Å
574	K	97.9	Very high	98.2	Very high	190 Å²	190	72.7 Å²	72.7	83%	0.826	34%	0.341	S	S	*	.	H	α-helix	trans	-62.8	-38.5	-178.6	-69.8	-176.7	179.1	179.4	0	112.9	K577 K578	K574-K577 PolarHBondContact O-N 3.33Å; K574-K578 PolarHBondContact O-N 3.16Å
575	E	98.1	Very high	98.1	Very high	154 Å²	154	70.3 Å²	70.3	72%	0.72	33%	0.332	S	S	*	.	H	α-helix	trans	-66.6	-44.5	-179.6	-65.6	176.8	164.9	0	0	111.2	N573 K578 R579	N573-E575 VanDerWaalsContact C-N 3.33Å; N573-E575 PolarHBondContact O-N 3.01Å; N573-E575 PolarHBondContact OD1-N 3.25Å; E575-K578 WeakPolarHBondContact O-CB 3.36Å; E575-K578 PolarHBondContact O-N 3.29Å; E575-R579 PolarHBondContact O-N 3.4Å
576	E	98.1	Very high	98	Very high	43 Å²	43	73.8 Å²	73.8	20%	0.201	35%	0.348	C	S	.	.	H	α-helix	trans	-65.6	-40.6	177.6	-179.2	58	-163.8	0	0	111.4	W572 N573 K578 R579 Q580	W572-E576 HydrophobicContact CB-CB 4.02Å; W572-E576 HydrophobicContact CB-CG 3.82Å; W572-E576 HydrophobicContact CD2-CG 3.97Å; W572-E576 HydrophobicContact CG-CB 4.26Å; W572-E576 HydrophobicContact CG-CG 3.5Å; N573-E576 PolarHBondContact O-N 3.49Å; N573-E576 VanDerWaalsContact OD1-CB 3.28Å; N573-E576 WeakPolarHBondContact OD1-CB 2.99Å; N573-E576 PolarHBondContact OD1-N 3.42Å; E576-K578 VanDerWaalsContact C-N 3.31Å; E576-K578 PolarHBondContact O-N 2.86Å; E576-R579 WeakPolarHBondContact O-CB 3.48Å; E576-R579 PolarHBondContact O-N 3.23Å; E576-R579 IonicContact OE1-CZ 3.36Å; E576-R579 IonicContact OE1-NE 3.82Å; E576-R579 PolarHBondContact OE1-NE 2.81Å; E576-R579 IonicContact OE1-NH2 3.07Å; E576-R579 PolarHBondContact OE1-NH2 2.67Å; E576-R579 IonicContact OE2-CZ 2.79Å; E576-R579 IonicContact OE2-NE 3.8Å; E576-R579 PolarHBondContact OE2-NE 2.82Å; E576-R579 IonicContact OE2-NH2 2.75Å; E576-R579 PolarHBondContact OE2-NH2 3.38Å; E576-Q580 HydrophobicContact CG-CG 4.34Å; E576-Q580 WeakPolarHBondContact O-CB 3.47Å; E576-Q580 WeakPolarHBondContact O-CG 3.41Å; E576-Q580 PolarHBondContact O-N 2.98Å; E576-Q580 WeakPolarHBondContact OE1-CG 3.37Å; E576-Q580 PolarHBondContact OE1-NE2 3.24Å
577	K	98.6	Very high	98	Very high	62 Å²	62	74.2 Å²	74.2	27%	0.27	35%	0.35	S	S	.	.	H	α-helix	trans	-58	-43.4	171.9	-73.9	-179.3	-179.6	-173.4	0	111.9	V563 W572 N573 K574 Q580 M581	V563-K577 HydrophobicContact CG1-CB 3.69Å; V563-K577 HydrophobicContact CG1-CD 4.45Å; V563-K577 HydrophobicContact CG1-CG 3.87Å; W572-K577 HydrophobicContact CB-CG 3.96Å; W572-K577 HydrophobicContact CE3-CG 4.31Å; N573-K577 WeakPolarHBondContact O-CG 3Å; N573-K577 PolarHBondContact O-N 3.12Å; K574-K577 PolarHBondContact O-N 3.33Å; K577-Q580 PolarHBondContact O-N 3.28Å; K577-M581 WeakPolarHBondContact O-CB 3.46Å; K577-M581 PolarHBondContact O-N 2.93Å
578	K	98.4	Very high	97.8	Very high	168 Å²	168	74.1 Å²	74.1	73%	0.73	35%	0.349	S	S	*	.	H	α-helix	trans	-63.9	-42.1	176.1	-173.5	-179.3	179.4	-177.6	0	111.5	K574 E575 E576 M581 A582	K574-K578 PolarHBondContact O-N 3.16Å; E575-K578 WeakPolarHBondContact O-CB 3.36Å; E575-K578 PolarHBondContact O-N 3.29Å; E576-K578 VanDerWaalsContact C-N 3.31Å; E576-K578 PolarHBondContact O-N 2.86Å; K578-M581 WeakPolarHBondContact O-CB 3.38Å; K578-M581 PolarHBondContact O-N 3.08Å; K578-A582 PolarHBondContact O-N 2.72Å
579	R	98.3	Very high	97.5	Very high	116 Å²	116	72.7 Å²	72.7	44%	0.438	34%	0.342	S	S	.	.	H	α-helix	trans	-61.6	-45.7	176.1	-167.7	-176.4	73.7	96.9	-0.3	111.5	E575 E576 A582 L583	E575-R579 PolarHBondContact O-N 3.4Å; E576-R579 WeakPolarHBondContact O-CB 3.48Å; E576-R579 PolarHBondContact O-N 3.23Å; E576-R579 IonicContact OE1-CZ 3.36Å; E576-R579 IonicContact OE1-NE 3.82Å; E576-R579 PolarHBondContact OE1-NE 2.81Å; E576-R579 IonicContact OE1-NH2 3.07Å; E576-R579 PolarHBondContact OE1-NH2 2.67Å; E576-R579 IonicContact OE2-CZ 2.79Å; E576-R579 IonicContact OE2-NE 3.8Å; E576-R579 PolarHBondContact OE2-NE 2.82Å; E576-R579 IonicContact OE2-NH2 2.75Å; E576-R579 PolarHBondContact OE2-NH2 3.38Å; R579-A582 PolarHBondContact O-N 3.18Å; R579-L583 HydrophobicContact CG-CD1 4.17Å; R579-L583 WeakPolarHBondContact O-CB 3.42Å; R579-L583 VanDerWaalsContact O-CG 3.31Å; R579-L583 WeakPolarHBondContact O-CG 3.35Å; R579-L583 PolarHBondContact O-N 3.44Å
580	Q	98.5	Very high	97.3	Very high	1 Å²	1	73.3 Å²	73.3	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-67.6	-34.1	179.5	-68.8	-71.6	-23.5	0	0	112.8	T537 W572 E576 K577 A584	T537-Q580 HydrophobicContact CG2-CB 3.88Å; T537-Q580 PolarHBondContact OG1-O 2.9Å; T537-Q580 PolarHBondContact OG1-OE1 3.31Å; W572-Q580 HydrophobicContact CD2-CG 4.21Å; W572-Q580 HydrophobicContact CE3-CB 4.29Å; W572-Q580 HydrophobicContact CE3-CG 3.91Å; W572-Q580 HydrophobicContact CH2-CB 4.06Å; W572-Q580 HydrophobicContact CH2-CG 3.55Å; W572-Q580 HydrophobicContact CZ2-CG 3.84Å; W572-Q580 HydrophobicContact CZ3-CB 3.77Å; W572-Q580 HydrophobicContact CZ3-CG 3.58Å; E576-Q580 HydrophobicContact CG-CG 4.34Å; E576-Q580 WeakPolarHBondContact O-CB 3.47Å; E576-Q580 WeakPolarHBondContact O-CG 3.41Å; E576-Q580 PolarHBondContact O-N 2.98Å; E576-Q580 WeakPolarHBondContact OE1-CG 3.37Å; E576-Q580 PolarHBondContact OE1-NE2 3.24Å; K577-Q580 PolarHBondContact O-N 3.28Å; Q580-A584 WeakPolarHBondContact O-CB 3.49Å; Q580-A584 PolarHBondContact O-N 2.93Å; Q580-A584 VanDerWaalsContact O-N 3.14Å
581	M	98.3	Very high	97.3	Very high	59 Å²	59	72 Å²	72	29%	0.291	34%	0.336	S	S	.	.	H	α-helix	trans	-61.8	-50.6	169.4	-171	78.6	-165.8	0	0	110.7	L559 P560 V563 K577 K578 L583 A584 T585	L559-M581 HydrophobicContact CB-CE 4.26Å; L559-M581 HydrophobicContact CB-SD 4.41Å; L559-M581 HydrophobicContact CD2-CE 3.61Å; L559-M581 HydrophobicContact CD2-CG 4.41Å; L559-M581 HydrophobicContact CD2-SD 3.65Å; L559-M581 HydrophobicContact CG-CE 3.88Å; L559-M581 HydrophobicContact CG-SD 3.56Å; L559-M581 VanDerWaalsContact CG-SD 3.56Å; P560-M581 HydrophobicContact CG-CE 3.97Å; P560-M581 HydrophobicContact CG-SD 4.43Å; V563-M581 HydrophobicContact CG2-CB 4.36Å; V563-M581 HydrophobicContact CG2-SD 4.11Å; K577-M581 WeakPolarHBondContact O-CB 3.46Å; K577-M581 PolarHBondContact O-N 2.93Å; K578-M581 WeakPolarHBondContact O-CB 3.38Å; K578-M581 PolarHBondContact O-N 3.08Å; M581-L583 PolarHBondContact O-N 3.3Å; M581-A584 PolarHBondContact O-N 3.24Å; M581-T585 WeakPolarHBondContact O-CB 3.38Å; M581-T585 PolarHBondContact O-N 3.47Å; M581-T585 PolarHBondContact O-OG1 2.94Å
582	A	98.3	Very high	97.2	Very high	58 Å²	58	63 Å²	63	48%	0.479	30%	0.297	S	S	.	.	H	α-helix	trans	-62.3	-44.8	-179.7	0	0	0	0	0	112.3	K578 R579 A584 T585 E586	K578-A582 PolarHBondContact O-N 2.72Å; R579-A582 PolarHBondContact O-N 3.18Å; A582-A584 PolarHBondContact O-N 3.39Å; A582-T585 PolarHBondContact O-N 3.39Å; A582-E586 WeakPolarHBondContact O-CB 3.4Å; A582-E586 PolarHBondContact O-N 3.5Å
583	L	97.7	Very high	96.8	Very high	57 Å²	57	61.5 Å²	61.5	30%	0.298	29%	0.292	S	S	.	.	H	α-helix	trans	-60.9	-43.6	178	-74.8	171.7	0	0	0	112.7	R579 M581 F587	R579-L583 HydrophobicContact CG-CD1 4.17Å; R579-L583 WeakPolarHBondContact O-CB 3.42Å; R579-L583 VanDerWaalsContact O-CG 3.31Å; R579-L583 WeakPolarHBondContact O-CG 3.35Å; R579-L583 PolarHBondContact O-N 3.44Å; M581-L583 PolarHBondContact O-N 3.3Å; L583-F587 WeakPolarHBondContact O-CB 3.4Å; L583-F587 PolarHBondContact O-N 3.16Å
584	A	98.4	Very high	96.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-68.5	-38.7	176.6	0	0	0	0	0	112	T537 V538 L541 L559 Q580 M581 A582 F587 L588	T537-A584 WeakPolarHBondContact OG1-CB 3.45Å; V538-A584 HydrophobicContact CG2-CB 4.46Å; L541-A584 HydrophobicContact CD1-CB 4.25Å; L559-A584 HydrophobicContact CD1-CB 3.41Å; L559-A584 VanDerWaalsContact CD1-CB 3.41Å; L559-A584 HydrophobicContact CD2-CB 3.57Å; L559-A584 HydrophobicContact CG-CB 4.15Å; Q580-A584 WeakPolarHBondContact O-CB 3.49Å; Q580-A584 PolarHBondContact O-N 2.93Å; Q580-A584 VanDerWaalsContact O-N 3.14Å; M581-A584 PolarHBondContact O-N 3.24Å; A582-A584 PolarHBondContact O-N 3.39Å; A584-F587 WeakPolarHBondContact O-CB 3.33Å; A584-F587 PolarHBondContact O-N 3.08Å; A584-L588 VanDerWaalsContact O-CG 3.29Å; A584-L588 WeakPolarHBondContact O-CG 3.34Å; A584-L588 PolarHBondContact O-N 3.22Å
585	T	96.7	Very high	95.4	Very high	26 Å²	26	50.7 Å²	50.7	16%	0.16	25%	0.247	C	C	.	.	H	α-helix	trans	-62.1	-48.3	176.4	-52.7	0	0	0	0	110.6	M581 A582 F587 L588 Q589	M581-T585 WeakPolarHBondContact O-CB 3.38Å; M581-T585 PolarHBondContact O-N 3.47Å; M581-T585 PolarHBondContact O-OG1 2.94Å; A582-T585 PolarHBondContact O-N 3.39Å; T585-F587 VanDerWaalsContact C-N 3.32Å; T585-F587 PolarHBondContact O-N 3.11Å; T585-L588 PolarHBondContact O-N 3.27Å; T585-Q589 HydrophobicContact CG2-CG 4.38Å; T585-Q589 WeakPolarHBondContact O-CB 3.23Å; T585-Q589 VanDerWaalsContact O-CG 3.26Å; T585-Q589 WeakPolarHBondContact O-CG 3.42Å; T585-Q589 PolarHBondContact O-N 3.25Å
586	E	96.2	Very high	94	Very high	74 Å²	74	43.8 Å²	43.8	35%	0.346	22%	0.216	S	C	.	.	H	α-helix	trans	-57.7	-44.3	174.4	-174.1	-171.3	155.1	0	0	111.2	R352 A582 L588 Q589 F590	R352-E586 IonicContact CZ-OE1 2.98Å; R352-E586 IonicContact NH1-OE1 3.69Å; R352-E586 PolarHBondContact NH1-OE1 3.31Å; A582-E586 WeakPolarHBondContact O-CB 3.4Å; A582-E586 PolarHBondContact O-N 3.5Å; E586-L588 PolarHBondContact O-N 2.73Å; E586-Q589 PolarHBondContact O-N 2.91Å; E586-F590 HydrophobicContact CB-CD2 4.39Å; E586-F590 HydrophobicContact CG-CD2 3.52Å; E586-F590 HydrophobicContact CG-CE2 3.82Å; E586-F590 VanDerWaalsContact O-CD2 3.23Å; E586-F590 WeakPolarHBondContact O-CD2 3.42Å; E586-F590 PolarHBondContact O-N 3.28Å
587	F	97.7	Very high	92.6	Very high	11 Å²	11	43.9 Å²	43.9	5%	0.048	22%	0.215	C	C	.	.	I	π-helix	trans	-59.9	-45.1	177.5	179.8	-95.5	0	0	0	112.6	V538 A548 F549 L583 A584 T585 Q591 M592	V538-F587 HydrophobicContact CG1-CD1 4.13Å; V538-F587 HydrophobicContact CG1-CD2 3.68Å; V538-F587 HydrophobicContact CG1-CE1 4.25Å; V538-F587 HydrophobicContact CG1-CE2 3.83Å; V538-F587 HydrophobicContact CG1-CG 3.85Å; V538-F587 HydrophobicContact CG1-CZ 4.11Å; V538-F587 HydrophobicContact CG2-CB 3.86Å; V538-F587 HydrophobicContact CG2-CD2 4.47Å; V538-F587 HydrophobicContact CG2-CG 4.06Å; A548-F587 HydrophobicContact CB-CD1 4.33Å; A548-F587 HydrophobicContact CB-CE1 3.85Å; F549-F587 HydrophobicContact CE2-CZ 4.23Å; L583-F587 WeakPolarHBondContact O-CB 3.4Å; L583-F587 PolarHBondContact O-N 3.16Å; A584-F587 WeakPolarHBondContact O-CB 3.33Å; A584-F587 PolarHBondContact O-N 3.08Å; T585-F587 VanDerWaalsContact C-N 3.32Å; T585-F587 PolarHBondContact O-N 3.11Å; F587-Q591 HydrophobicContact CD2-CB 3.91Å; F587-Q591 HydrophobicContact CD2-CG 4.16Å; F587-Q591 HydrophobicContact CE2-CB 3.92Å; F587-Q591 HydrophobicContact CE2-CG 4.4Å; F587-Q591 WeakPolarHBondContact O-CB 3.45Å; F587-Q591 PolarHBondContact O-N 2.87Å; F587-M592 HydrophobicContact CD1-CG 3.83Å; F587-M592 HydrophobicContact CE1-CE 3.82Å; F587-M592 HydrophobicContact CE1-CG 3.42Å; F587-M592 VanDerWaalsContact CE1-CG 3.42Å; F587-M592 HydrophobicContact CE1-SD 3.6Å; F587-M592 VanDerWaalsContact CE1-SD 3.6Å; F587-M592 HydrophobicContact CE2-CE 4.07Å; F587-M592 HydrophobicContact CZ-CE 3.4Å; F587-M592 HydrophobicContact CZ-CG 4.05Å; F587-M592 HydrophobicContact CZ-SD 3.78Å; F587-M592 PolarHBondContact O-N 2.87Å
588	L	96.3	Very high	91	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	21%	0.214	C	C	.	.	I	π-helix	trans	-65.2	-44.7	177.5	-68.5	173.3	0	0	0	111.6	A548 T552 A555 E556 A584 T585 E586 M592 A594	A548-L588 HydrophobicContact CB-CD2 3.55Å; T552-L588 HydrophobicContact CG2-CD2 4.3Å; A555-L588 HydrophobicContact CB-CD1 4.28Å; A555-L588 HydrophobicContact CB-CD2 3.91Å; E556-L588 HydrophobicContact CB-CD1 3.94Å; A584-L588 VanDerWaalsContact O-CG 3.29Å; A584-L588 WeakPolarHBondContact O-CG 3.34Å; A584-L588 PolarHBondContact O-N 3.22Å; T585-L588 PolarHBondContact O-N 3.27Å; E586-L588 PolarHBondContact O-N 2.73Å; L588-M592 HydrophobicContact CD2-CG 4.38Å; L588-M592 CarbonylContact O-C 3.54Å; L588-A594 WeakPolarHBondContact O-CB 3.13Å; L588-A594 PolarHBondContact O-N 2.69Å
589	Q	91.9	Very high	89.5	Confident	56 Å²	56	40 Å²	40	26%	0.262	20%	0.199	S	C	.	.	I	π-helix	trans	-63.7	-49.6	-178.7	-75	177	-11.2	0	0	112.4	T585 E586 A594 N595	T585-Q589 HydrophobicContact CG2-CG 4.38Å; T585-Q589 WeakPolarHBondContact O-CB 3.23Å; T585-Q589 VanDerWaalsContact O-CG 3.26Å; T585-Q589 WeakPolarHBondContact O-CG 3.42Å; T585-Q589 PolarHBondContact O-N 3.25Å; E586-Q589 PolarHBondContact O-N 2.91Å; Q589-A594 PolarHBondContact O-N 3.09Å; Q589-N595 HydrophobicContact CB-CB 4.31Å; Q589-N595 WeakPolarHBondContact O-CB 3.41Å; Q589-N595 PolarHBondContact O-N 3.43Å
590	F	93.1	Very high	87.6	Confident	92 Å²	92	35.3 Å²	35.3	40%	0.404	19%	0.185	S	C	.	.	I	π-helix	trans	-98	-56.9	-171.6	-59.9	-70.6	0	0	0	112.6	A354 E586 G593	A354-F590 VanDerWaalsContact CB-O 3.26Å; A354-F590 WeakPolarHBondContact CB-O 3.39Å; E586-F590 HydrophobicContact CB-CD2 4.39Å; E586-F590 HydrophobicContact CG-CD2 3.52Å; E586-F590 HydrophobicContact CG-CE2 3.82Å; E586-F590 VanDerWaalsContact O-CD2 3.23Å; E586-F590 WeakPolarHBondContact O-CD2 3.42Å; E586-F590 PolarHBondContact O-N 3.28Å; F590-G593 PolarHBondContact O-N 3.23Å
591	Q	96.4	Very high	85.9	Confident	28 Å²	28	35.3 Å²	35.3	13%	0.131	19%	0.185	C	C	.	.	I	π-helix	trans	-76.2	-29.3	-171.8	-63.8	-171.6	48.3	0	0	113	R352 F587	R352-Q591 HydrophobicContact CB-CG 4.37Å; F587-Q591 HydrophobicContact CD2-CB 3.91Å; F587-Q591 HydrophobicContact CD2-CG 4.16Å; F587-Q591 HydrophobicContact CE2-CB 3.92Å; F587-Q591 HydrophobicContact CE2-CG 4.4Å; F587-Q591 WeakPolarHBondContact O-CB 3.45Å; F587-Q591 PolarHBondContact O-N 2.87Å
592	M	96.9	Very high	84	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	11.3	175.5	-50.8	-69.8	95.9	0	0	113.3	A385 W386 A548 F549 T552 F587 L588 A594	A385-M592 PolarHBondContact N-O 3.44Å; A385-M592 CarbonylContact O-C 3.5Å; A385-M592 WeakPolarHBondContact O-CA 3.39Å; W386-M592 HydrophobicContact CB-CE 3.76Å; W386-M592 HydrophobicContact CB-SD 4.3Å; A548-M592 HydrophobicContact CB-CG 4.1Å; A548-M592 HydrophobicContact CB-SD 4.27Å; A548-M592 WeakPolarHBondContact O-CG 3.34Å; F549-M592 HydrophobicContact CD1-SD 4.38Å; F549-M592 HydrophobicContact CD2-CE 4.36Å; F549-M592 HydrophobicContact CD2-SD 3.55Å; F549-M592 VanDerWaalsContact CD2-SD 3.55Å; F549-M592 HydrophobicContact CE1-CE 4.36Å; F549-M592 HydrophobicContact CE1-SD 4.44Å; F549-M592 HydrophobicContact CE2-CE 3.82Å; F549-M592 HydrophobicContact CE2-SD 3.6Å; F549-M592 HydrophobicContact CG-SD 3.96Å; F549-M592 HydrophobicContact CZ-CE 3.82Å; F549-M592 HydrophobicContact CZ-SD 4.08Å; T552-M592 HydrophobicContact CG2-CB 3.61Å; T552-M592 WeakPolarHBondContact CG2-O 3.37Å; F587-M592 HydrophobicContact CD1-CG 3.83Å; F587-M592 HydrophobicContact CE1-CE 3.82Å; F587-M592 HydrophobicContact CE1-CG 3.42Å; F587-M592 VanDerWaalsContact CE1-CG 3.42Å; F587-M592 HydrophobicContact CE1-SD 3.6Å; F587-M592 VanDerWaalsContact CE1-SD 3.6Å; F587-M592 HydrophobicContact CE2-CE 4.07Å; F587-M592 HydrophobicContact CZ-CE 3.4Å; F587-M592 HydrophobicContact CZ-CG 4.05Å; F587-M592 HydrophobicContact CZ-SD 3.78Å; F587-M592 PolarHBondContact O-N 2.87Å; L588-M592 HydrophobicContact CD2-CG 4.38Å; L588-M592 CarbonylContact O-C 3.54Å; M592-A594 VanDerWaalsContact C-N 3.33Å; M592-A594 PolarHBondContact O-N 2.9Å
593	G	89.2	Confident	82.3	Confident	2 Å²	2	39.1 Å²	39.1	2%	0.021	20%	0.204	C	C	.	.			trans	72.8	14	162.3	0	0	0	0	0	116.3	R379 A385 F590 N595 A596	R379-G593 PolarHBondContact NH2-O 3.2Å; A385-G593 PolarHBondContact O-N 2.79Å; F590-G593 PolarHBondContact O-N 3.23Å; G593-N595 PolarHBondContact O-N 3.46Å; G593-A596 WeakPolarHBondContact O-CB 3.44Å; G593-A596 PolarHBondContact O-N 3.16Å
594	A	84.3	Confident	80.4	Confident	27 Å²	27	36.8 Å²	36.8	22%	0.223	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-35.4	177.5	0	0	0	0	0	111.8	T552 L588 Q589 M592	T552-A594 HydrophobicContact CG2-CB 4.11Å; L588-A594 WeakPolarHBondContact O-CB 3.13Å; L588-A594 PolarHBondContact O-N 2.69Å; Q589-A594 PolarHBondContact O-N 3.09Å; M592-A594 VanDerWaalsContact C-N 3.33Å; M592-A594 PolarHBondContact O-N 2.9Å
595	N	81.3	Confident	78.4	Confident	30 Å²	30	39.3 Å²	39.3	16%	0.16	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	10.4	178.1	-69.8	9.2	0	0	0	113.5	Q589 G593 R597 Q598 K599	Q589-N595 HydrophobicContact CB-CB 4.31Å; Q589-N595 WeakPolarHBondContact O-CB 3.41Å; Q589-N595 PolarHBondContact O-N 3.43Å; G593-N595 PolarHBondContact O-N 3.46Å; N595-R597 PolarHBondContact O-N 3.38Å; N595-R597 VanDerWaalsContact O-N 3.14Å; N595-Q598 PolarHBondContact ND2-OE1 3.17Å; N595-Q598 PolarHBondContact O-N 3.09Å; N595-Q598 PolarHBondContact OD1-OE1 3.28Å; N595-K599 WeakPolarHBondContact O-CB 3.24Å; N595-K599 PolarHBondContact O-N 3.39Å
596	A	70.5	Confident	76.5	Confident	9 Å²	9	42.8 Å²	42.8	7%	0.074	23%	0.226	C	C	.	.	H	α-helix	trans	-55.2	-37.4	-176.6	0	0	0	0	0	112.2	G593 A600	G593-A596 WeakPolarHBondContact O-CB 3.44Å; G593-A596 PolarHBondContact O-N 3.16Å; A596-A600 PolarHBondContact O-N 2.76Å; A596-A600 VanDerWaalsContact O-N 3.1Å
597	R	67.2	Low	74.8	Confident	44 Å²	44	46.5 Å²	46.5	17%	0.166	25%	0.245	C	C	.	.	H	α-helix	trans	-71.8	-49.7	178.1	-164.8	-177.3	-174.7	-170.3	0.4	113	E357 N595 K599 A600 Y601 E658	E357-R597 PolarHBondContact OE2-N 3.24Å; N595-R597 PolarHBondContact O-N 3.38Å; N595-R597 VanDerWaalsContact O-N 3.14Å; R597-K599 PolarHBondContact O-N 2.53Å; R597-A600 WeakPolarHBondContact O-CB 3.42Å; R597-A600 PolarHBondContact O-N 3.41Å; R597-A600 VanDerWaalsContact O-N 3.1Å; R597-Y601 HydrophobicContact CG-CD2 4.15Å; R597-Y601 HydrophobicContact CG-CE2 3.7Å; R597-Y601 PolarHBondContact NH2-OH 3.48Å; R597-Y601 WeakPolarHBondContact O-CD2 3.41Å; R597-Y601 PolarHBondContact O-N 2.91Å; R597-Y601 VanDerWaalsContact O-N 3.13Å; R597-E658 PolarHBondContact NH1-O 3.01Å; R597-E658 PolarHBondContact NH2-O 2.94Å
598	Q	66.2	Low	73.1	Confident	55 Å²	55	46.7 Å²	46.7	26%	0.257	25%	0.247	S	C	.	.	H	α-helix	trans	-56.4	-42.1	175.7	-69.2	168.3	-0.6	0	0	111.1	N595 Y601 A602 L661	N595-Q598 PolarHBondContact ND2-OE1 3.17Å; N595-Q598 PolarHBondContact O-N 3.09Å; N595-Q598 PolarHBondContact OD1-OE1 3.28Å; Q598-Y601 PolarHBondContact O-N 3.37Å; Q598-A602 WeakPolarHBondContact O-CB 3.31Å; Q598-A602 PolarHBondContact O-N 2.86Å; Q598-L661 HydrophobicContact CG-CB 4.21Å; Q598-L661 HydrophobicContact CG-CD2 4.44Å; Q598-L661 WeakPolarHBondContact CG-O 3.45Å; Q598-L661 PolarHBondContact NE2-O 3.41Å
599	K	65.5	Low	72.1	Confident	93 Å²	93	50 Å²	50	40%	0.404	27%	0.267	S	S	.	.	H	α-helix	trans	-61.7	-43.6	176.1	-175.6	177.9	175.1	-178.7	0	112	N595 R597 Y601 A602 E603	N595-K599 WeakPolarHBondContact O-CB 3.24Å; N595-K599 PolarHBondContact O-N 3.39Å; R597-K599 PolarHBondContact O-N 2.53Å; K599-Y601 VanDerWaalsContact C-N 3.31Å; K599-Y601 PolarHBondContact O-N 3.01Å; K599-A602 PolarHBondContact O-N 2.86Å; K599-E603 VanDerWaalsContact CE-CD 3.41Å; K599-E603 WeakPolarHBondContact CE-OE1 2.99Å; K599-E603 HydrophobicContact CG-CG 4.29Å; K599-E603 IonicContact NZ-OE1 2.74Å; K599-E603 WeakPolarHBondContact O-CB 3.42Å; K599-E603 WeakPolarHBondContact O-CG 3.35Å; K599-E603 PolarHBondContact O-N 3.29Å
600	A	59.3	Low	71.1	Confident	18 Å²	18	54.4 Å²	54.4	15%	0.149	29%	0.288	C	S	.	.	H	α-helix	trans	-61.3	-38.7	177.8	0	0	0	0	0	112.6	E357 A596 R597 A604	E357-A600 HydrophobicContact CB-CB 3.73Å; E357-A600 HydrophobicContact CG-CB 4.2Å; A596-A600 PolarHBondContact O-N 2.76Å; A596-A600 VanDerWaalsContact O-N 3.1Å; R597-A600 WeakPolarHBondContact O-CB 3.42Å; R597-A600 PolarHBondContact O-N 3.41Å; R597-A600 VanDerWaalsContact O-N 3.1Å; A600-A604 PolarHBondContact O-N 3.09Å; A600-A604 VanDerWaalsContact O-N 3.16Å
601	Y	61.8	Low	70.2	Confident	1 Å²	1	56.5 Å²	56.5	0%	0.004	30%	0.299	C	S	.	.	H	α-helix	trans	-69.6	-40.4	174	-71.4	-66.8	0	0	0	112.8	R597 Q598 K599 A604 L661 V675 V684 N687	R597-Y601 HydrophobicContact CG-CD2 4.15Å; R597-Y601 HydrophobicContact CG-CE2 3.7Å; R597-Y601 PolarHBondContact NH2-OH 3.48Å; R597-Y601 WeakPolarHBondContact O-CD2 3.41Å; R597-Y601 PolarHBondContact O-N 2.91Å; R597-Y601 VanDerWaalsContact O-N 3.13Å; Q598-Y601 PolarHBondContact O-N 3.37Å; K599-Y601 VanDerWaalsContact C-N 3.31Å; K599-Y601 PolarHBondContact O-N 3.01Å; Y601-A604 WeakPolarHBondContact O-CB 3.36Å; Y601-A604 PolarHBondContact O-N 3.26Å; Y601-L661 HydrophobicContact CD2-CD1 3.94Å; Y601-L661 HydrophobicContact CD2-CD2 3.39Å; Y601-L661 HydrophobicContact CD2-CG 4.33Å; Y601-L661 HydrophobicContact CE2-CD2 3.61Å; Y601-L661 HydrophobicContact CG-CD1 4.01Å; Y601-L661 HydrophobicContact CG-CD2 4.26Å; Y601-V675 HydrophobicContact CD1-CG2 4.07Å; Y601-V675 HydrophobicContact CE1-CB 4.04Å; Y601-V675 HydrophobicContact CE1-CG1 4.19Å; Y601-V675 HydrophobicContact CE1-CG2 3.67Å; Y601-V675 HydrophobicContact CE2-CG2 4.32Å; Y601-V684 HydrophobicContact CD1-CG2 3.68Å; Y601-V684 HydrophobicContact CE1-CB 3.9Å; Y601-V684 HydrophobicContact CE1-CG1 3.92Å; Y601-V684 HydrophobicContact CE1-CG2 3.42Å; Y601-V684 VanDerWaalsContact CE1-CG2 3.42Å; Y601-V684 HydrophobicContact CG-CG2 4.34Å; Y601-N687 PolarHBondContact OH-ND2 3.46Å; Y601-N687 VanDerWaalsContact OH-ND2 3.12Å
602	A	59	Low	69	Low	68 Å²	68	56.9 Å²	56.9	56%	0.562	30%	0.3	S	S	*	.	H	α-helix	trans	-68.3	-33.5	179.1	0	0	0	0	0	113.2	Q598 K599	Q598-A602 WeakPolarHBondContact O-CB 3.31Å; Q598-A602 PolarHBondContact O-N 2.86Å; K599-A602 PolarHBondContact O-N 2.86Å
603	E	62.7	Low	67.7	Low	129 Å²	129	62.6 Å²	62.6	60%	0.603	32%	0.322	S	S	*	.	H	α-helix	trans	-83.4	-13.5	176.6	-69.7	179.7	164.7	0	0	112.9	K599 P605	K599-E603 VanDerWaalsContact CE-CD 3.41Å; K599-E603 WeakPolarHBondContact CE-OE1 2.99Å; K599-E603 HydrophobicContact CG-CG 4.29Å; K599-E603 IonicContact NZ-OE1 2.74Å; K599-E603 WeakPolarHBondContact O-CB 3.42Å; K599-E603 WeakPolarHBondContact O-CG 3.35Å; K599-E603 PolarHBondContact O-N 3.29Å; E603-P605 WeakPolarHBondContact O-CD 3.08Å
604	A	58.2	Low	67	Low	8 Å²	8	67.5 Å²	67.5	7%	0.066	35%	0.345	C	S	.	.	S	Bend	trans	-64.7	120.5	176.1	0	0	0	0	0	109.1	A600 Y601 L606 W683	A600-A604 PolarHBondContact O-N 3.09Å; A600-A604 VanDerWaalsContact O-N 3.16Å; Y601-A604 WeakPolarHBondContact O-CB 3.36Å; Y601-A604 PolarHBondContact O-N 3.26Å; A604-L606 PolarHBondContact O-N 3.13Å; A604-W683 HydrophobicContact CB-CB 4.38Å; A604-W683 HydrophobicContact CB-CG 4.3Å
605	P	55.4	Low	66.6	Low	53 Å²	53	69.4 Å²	69.4	34%	0.344	35%	0.351	S	S	.	.			trans	-62.2	132	178.4	27	-33.9	0	0	0	108.8	E603 M607 S677 W683	E603-P605 WeakPolarHBondContact O-CD 3.08Å; P605-M607 HydrophobicContact CB-CE 4.49Å; P605-M607 HydrophobicContact CB-CG 4.01Å; P605-M607 HydrophobicContact CG-CG 4.28Å; P605-M607 PolarHBondContact O-N 2.91Å; P605-S677 PolarHBondContact O-OG 2.82Å; P605-W683 HydrophobicContact CG-CZ2 4.41Å
606	L	57.9	Low	66.3	Low	99 Å²	99	68 Å²	68	52%	0.518	34%	0.344	S	S	.	.			trans	-71.6	66.6	173.8	-73.6	164.9	0	0	0	109.9	A604 L608 S677	A604-L606 PolarHBondContact O-N 3.13Å; L606-L608 PolarHBondContact O-N 3.39Å; L606-L608 VanDerWaalsContact O-N 3.17Å; L606-S677 WeakPolarHBondContact CA-OG 3.1Å
607	M	59.2	Low	66.6	Low	152 Å²	152	69.7 Å²	69.7	75%	0.749	35%	0.351	S	S	*	.			trans	-87.4	51	175.2	-66.5	-157.4	169	0	0	110.9	P605	P605-M607 HydrophobicContact CB-CE 4.49Å; P605-M607 HydrophobicContact CB-CG 4.01Å; P605-M607 HydrophobicContact CG-CG 4.28Å; P605-M607 PolarHBondContact O-N 2.91Å
608	L	64	Low	67.3	Low	15 Å²	15	73.4 Å²	73.4	8%	0.079	37%	0.368	C	S	.	.			trans	-91.1	128.4	168.7	-63.1	175.5	0	0	0	108.3	L606 E612 R613 L673 Y676	L606-L608 PolarHBondContact O-N 3.39Å; L606-L608 VanDerWaalsContact O-N 3.17Å; L608-E612 HydrophobicContact CB-CB 4.28Å; L608-E612 HydrophobicContact CD2-CB 4.33Å; L608-R613 HydrophobicContact CB-CB 4.5Å; L608-L673 HydrophobicContact CD1-CD2 3.98Å; L608-Y676 HydrophobicContact CD1-CD1 3.71Å; L608-Y676 HydrophobicContact CD1-CE1 4.36Å; L608-Y676 HydrophobicContact CD2-CD1 3.51Å; L608-Y676 HydrophobicContact CD2-CE1 3.59Å; L608-Y676 HydrophobicContact CD2-CG 4.42Å; L608-Y676 HydrophobicContact CG-CD1 4.27Å
609	T	73.7	Confident	67.7	Low	70 Å²	70	70.8 Å²	70.8	43%	0.429	36%	0.356	S	S	.	.			trans	-61.3	162.6	168.7	67.3	0	0	0	0	109.2	E611 E612 R613	T609-E611 VanDerWaalsContact C-N 3.29Å; T609-E611 PolarHBondContact O-N 2.83Å; T609-E612 PolarHBondContact N-OE2 2.87Å; T609-E612 PolarHBondContact O-N 3.37Å; T609-E612 WeakPolarHBondContact OG1-CB 3.16Å; T609-E612 WeakPolarHBondContact OG1-CG 3.33Å; T609-E612 PolarHBondContact OG1-N 2.82Å; T609-E612 PolarHBondContact OG1-OE1 3.42Å; T609-E612 PolarHBondContact OG1-OE2 3.23Å; T609-R613 PolarHBondContact O-N 3.24Å
610	Q	71.2	Confident	68.4	Low	149 Å²	149	66.7 Å²	66.7	70%	0.696	34%	0.338	S	S	*	.	H	α-helix	trans	-58.9	-43.5	179	-174.7	175	-13.9	0	0	111.6	E612 R613 E614	Q610-E612 VanDerWaalsContact C-N 3.33Å; Q610-E612 PolarHBondContact O-N 2.86Å; Q610-R613 PolarHBondContact O-N 3.28Å; Q610-E614 WeakPolarHBondContact CG-OE1 3.46Å; Q610-E614 PolarHBondContact NE2-OE1 2.83Å; Q610-E614 VanDerWaalsContact NE2-OE1 3.15Å; Q610-E614 WeakPolarHBondContact O-CG 3.34Å; Q610-E614 PolarHBondContact O-N 2.86Å
611	E	74.3	Confident	69.4	Low	137 Å²	137	72.7 Å²	72.7	64%	0.64	36%	0.361	S	S	*	.	H	α-helix	trans	-60.8	-39.8	176.3	-172.5	178.1	-177.5	0	0	112.3	T609 E614 N615	T609-E611 VanDerWaalsContact C-N 3.29Å; T609-E611 PolarHBondContact O-N 2.83Å; E611-E614 PolarHBondContact O-N 2.9Å; E611-N615 WeakPolarHBondContact O-CB 3.4Å; E611-N615 VanDerWaalsContact O-CG 3.29Å; E611-N615 PolarHBondContact O-N 3.16Å; E611-N615 PolarHBondContact O-ND2 3.47Å
612	E	71	Confident	70.3	Confident	35 Å²	35	76.1 Å²	76.1	16%	0.164	38%	0.377	C	S	.	.	H	α-helix	trans	-69.9	-38.6	178.3	-75.2	161.4	-174.1	0	0	112.9	L608 T609 Q610 E614 N615 A616 Y676 K680	L608-E612 HydrophobicContact CB-CB 4.28Å; L608-E612 HydrophobicContact CD2-CB 4.33Å; T609-E612 PolarHBondContact N-OE2 2.87Å; T609-E612 PolarHBondContact O-N 3.37Å; T609-E612 WeakPolarHBondContact OG1-CB 3.16Å; T609-E612 WeakPolarHBondContact OG1-CG 3.33Å; T609-E612 PolarHBondContact OG1-N 2.82Å; T609-E612 PolarHBondContact OG1-OE1 3.42Å; T609-E612 PolarHBondContact OG1-OE2 3.23Å; Q610-E612 VanDerWaalsContact C-N 3.33Å; Q610-E612 PolarHBondContact O-N 2.86Å; E612-E614 VanDerWaalsContact C-N 3.3Å; E612-N615 PolarHBondContact O-N 3.33Å; E612-A616 WeakPolarHBondContact O-CB 3.42Å; E612-A616 PolarHBondContact O-N 2.77Å; E612-Y676 HydrophobicContact CB-CE1 4.25Å; E612-K680 IonicContact OE1-NZ 2.76Å; E612-K680 PolarHBondContact OE1-NZ 3.27Å; E612-K680 IonicContact OE2-NZ 3.88Å; E612-K680 PolarHBondContact OE2-NZ 2.9Å
613	R	70.2	Confident	71.3	Confident	120 Å²	120	72.9 Å²	72.9	45%	0.453	35%	0.35	S	S	.	.	H	α-helix	trans	-63.9	-41.7	173.6	-167.3	-174.7	-58.6	-159.5	-0.8	110.2	L608 T609 Q610 A616 I617 L673	L608-R613 HydrophobicContact CB-CB 4.5Å; T609-R613 PolarHBondContact O-N 3.24Å; Q610-R613 PolarHBondContact O-N 3.28Å; R613-A616 PolarHBondContact O-N 3.41Å; R613-I617 HydrophobicContact CG-CD1 3.9Å; R613-I617 WeakPolarHBondContact O-CB 3.4Å; R613-I617 WeakPolarHBondContact O-CD1 3.41Å; R613-I617 WeakPolarHBondContact O-CG1 3.27Å; R613-I617 PolarHBondContact O-N 2.99Å; R613-L673 HydrophobicContact CG-CD2 4.2Å
614	E	75.2	Confident	72.2	Confident	106 Å²	106	67.2 Å²	67.2	50%	0.495	32%	0.324	S	S	.	.	H	α-helix	trans	-63.4	-43.3	176	-73.8	172.2	-168.7	0	0	111.7	Q610 E611 E612 I617 K618	Q610-E614 WeakPolarHBondContact CG-OE1 3.46Å; Q610-E614 PolarHBondContact NE2-OE1 2.83Å; Q610-E614 VanDerWaalsContact NE2-OE1 3.15Å; Q610-E614 WeakPolarHBondContact O-CG 3.34Å; Q610-E614 PolarHBondContact O-N 2.86Å; E611-E614 PolarHBondContact O-N 2.9Å; E612-E614 VanDerWaalsContact C-N 3.3Å; E614-I617 PolarHBondContact O-N 2.83Å; E614-K618 WeakPolarHBondContact O-CB 3.31Å; E614-K618 PolarHBondContact O-N 3.25Å
615	N	75.5	Confident	73.1	Confident	66 Å²	66	70.1 Å²	70.1	35%	0.353	34%	0.335	S	S	.	.	H	α-helix	trans	-64.4	-42.8	175.1	-72.6	-23.9	0	0	0	112.4	E611 E612 K618 C619	E611-N615 WeakPolarHBondContact O-CB 3.4Å; E611-N615 VanDerWaalsContact O-CG 3.29Å; E611-N615 PolarHBondContact O-N 3.16Å; E611-N615 PolarHBondContact O-ND2 3.47Å; E612-N615 PolarHBondContact O-N 3.33Å; N615-K618 WeakPolarHBondContact O-CB 3.39Å; N615-K618 PolarHBondContact O-N 2.83Å; N615-C619 WeakPolarHBondContact O-CB 3.47Å; N615-C619 PolarHBondContact O-N 2.82Å
616	A	73.9	Confident	74.2	Confident	2 Å²	2	71.3 Å²	71.3	2%	0.017	34%	0.339	C	S	.	.	H	α-helix	trans	-66.2	-40.1	176.5	0	0	0	0	0	112	E612 R613 K618 C619 F620 F672 L673 Y676	E612-A616 WeakPolarHBondContact O-CB 3.42Å; E612-A616 PolarHBondContact O-N 2.77Å; R613-A616 PolarHBondContact O-N 3.41Å; A616-K618 VanDerWaalsContact C-N 3.3Å; A616-K618 PolarHBondContact O-N 3.18Å; A616-C619 PolarHBondContact O-N 3.35Å; A616-F620 WeakPolarHBondContact O-CB 3.38Å; A616-F620 PolarHBondContact O-N 3.32Å; A616-F672 HydrophobicContact CB-CE1 4.18Å; A616-F672 VanDerWaalsContact O-CE1 3.23Å; A616-F672 WeakPolarHBondContact O-CE1 3.29Å; A616-L673 HydrophobicContact CB-CD2 3.6Å; A616-Y676 HydrophobicContact CB-CD1 3.64Å; A616-Y676 HydrophobicContact CB-CE1 3.92Å; A616-Y676 HydrophobicContact CB-CG 4.39Å
617	I	77.9	Confident	75.1	Confident	43 Å²	43	77.1 Å²	77.1	22%	0.221	35%	0.354	C	S	.	.	H	α-helix	trans	-64	-37.9	173.4	-70.4	164.2	0	0	0	110.8	R613 E614 K621 L669	R613-I617 HydrophobicContact CG-CD1 3.9Å; R613-I617 WeakPolarHBondContact O-CB 3.4Å; R613-I617 WeakPolarHBondContact O-CD1 3.41Å; R613-I617 WeakPolarHBondContact O-CG1 3.27Å; R613-I617 PolarHBondContact O-N 2.99Å; E614-I617 PolarHBondContact O-N 2.83Å; I617-K621 HydrophobicContact CG2-CD 4.17Å; I617-K621 VanDerWaalsContact O-CG 3.31Å; I617-K621 WeakPolarHBondContact O-CG 3.34Å; I617-K621 PolarHBondContact O-N 3.18Å; I617-L669 HydrophobicContact CG1-CD1 3.94Å; I617-L669 HydrophobicContact CG1-CD2 4.23Å
618	K	80.7	Confident	76.1	Confident	122 Å²	122	73.7 Å²	73.7	53%	0.53	34%	0.338	S	S	.	.	H	α-helix	trans	-64.8	-47.8	176.2	-171.8	-176	174.9	-161.3	0	110.7	E614 N615 A616 F620 K621 E622	E614-K618 WeakPolarHBondContact O-CB 3.31Å; E614-K618 PolarHBondContact O-N 3.25Å; N615-K618 WeakPolarHBondContact O-CB 3.39Å; N615-K618 PolarHBondContact O-N 2.83Å; A616-K618 VanDerWaalsContact C-N 3.3Å; A616-K618 PolarHBondContact O-N 3.18Å; K618-F620 VanDerWaalsContact C-N 3.34Å; K618-F620 PolarHBondContact O-N 2.94Å; K618-K621 PolarHBondContact O-N 3.17Å; K618-E622 WeakPolarHBondContact CE-OE1 3.32Å; K618-E622 IonicContact NZ-OE1 3.78Å; K618-E622 WeakPolarHBondContact O-CG 3.46Å; K618-E622 PolarHBondContact O-N 3.39Å
619	C	75.8	Confident	76.6	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-56.4	-48.7	174.8	-172.4	0	0	0	0	111.2	N615 A616 K621 E622 V623 F672 E696	N615-C619 WeakPolarHBondContact O-CB 3.47Å; N615-C619 PolarHBondContact O-N 2.82Å; A616-C619 PolarHBondContact O-N 3.35Å; C619-K621 VanDerWaalsContact C-N 3.31Å; C619-K621 PolarHBondContact O-N 2.98Å; C619-E622 PolarHBondContact O-N 2.74Å; C619-V623 WeakPolarHBondContact O-CG2 3.31Å; C619-V623 PolarHBondContact O-N 2.85Å; C619-V623 VanDerWaalsContact O-N 3.08Å; C619-F672 HydrophobicContact CB-CE1 4.26Å; C619-F672 HydrophobicContact CB-CZ 4.01Å; C619-E696 WeakPolarHBondContact CA-OE2 3.15Å; C619-E696 HydrophobicContact CB-CB 4.18Å; C619-E696 WeakPolarHBondContact CB-OE2 3.25Å; C619-E696 PolarHBondContact SG-OE2 2.63Å
620	F	80.6	Confident	76.9	Confident	8 Å²	8	71.7 Å²	71.7	4%	0.035	34%	0.335	C	S	.	.	H	α-helix	trans	-54	-47.1	176.1	-175	-90.2	0	0	0	112.1	A616 K618 E622 V623 D624 G629 I631 I667 D668 L669 F672	A616-F620 WeakPolarHBondContact O-CB 3.38Å; A616-F620 PolarHBondContact O-N 3.32Å; K618-F620 VanDerWaalsContact C-N 3.34Å; K618-F620 PolarHBondContact O-N 2.94Å; F620-E622 VanDerWaalsContact C-N 3.33Å; F620-E622 PolarHBondContact O-N 3.03Å; F620-V623 PolarHBondContact O-N 3.28Å; F620-D624 HydrophobicContact CD1-CB 4.46Å; F620-D624 HydrophobicContact CE1-CB 4.25Å; F620-D624 VanDerWaalsContact O-CB 3.27Å; F620-D624 WeakPolarHBondContact O-CB 3.27Å; F620-D624 PolarHBondContact O-N 2.88Å; F620-G629 WeakPolarHBondContact CZ-O 3.48Å; F620-I631 HydrophobicContact CD2-CD1 3.48Å; F620-I631 VanDerWaalsContact CD2-CD1 3.48Å; F620-I631 HydrophobicContact CD2-CG1 4.05Å; F620-I631 HydrophobicContact CE2-CD1 3.63Å; F620-I631 HydrophobicContact CE2-CG1 3.77Å; F620-I631 HydrophobicContact CG-CD1 4.24Å; F620-I631 HydrophobicContact CZ-CD1 4.47Å; F620-I631 HydrophobicContact CZ-CG1 4.17Å; F620-I667 VanDerWaalsContact CE2-O 3.25Å; F620-I667 WeakPolarHBondContact CE2-O 3.25Å; F620-I667 WeakPolarHBondContact CZ-O 3.28Å; F620-D668 VanDerWaalsContact CE2-C 3.46Å; F620-L669 HydrophobicContact CB-CD1 3.82Å; F620-L669 HydrophobicContact CD1-CB 4.34Å; F620-L669 HydrophobicContact CD1-CD1 3.92Å; F620-L669 HydrophobicContact CD2-CB 4.5Å; F620-L669 HydrophobicContact CD2-CD1 4.05Å; F620-L669 HydrophobicContact CE1-CB 4.13Å; F620-L669 HydrophobicContact CE2-CB 4.28Å; F620-L669 HydrophobicContact CG-CD1 3.64Å; F620-L669 HydrophobicContact CZ-CB 4.09Å; F620-F672 HydrophobicContact CB-CD1 4.11Å; F620-F672 HydrophobicContact CB-CE1 4.19Å; F620-F672 HydrophobicContact CB-CG 4.36Å; F620-F672 HydrophobicContact CB-CZ 4.48Å; F620-F672 HydrophobicContact CD2-CB 3.58Å; F620-F672 HydrophobicContact CD2-CD1 4.15Å; F620-F672 AromaticContact CD2-CD2 3.77Å; F620-F672 HydrophobicContact CD2-CD2 3.77Å; F620-F672 HydrophobicContact CD2-CE2 4.44Å; F620-F672 AromaticContact CD2-CG 3.59Å; F620-F672 HydrophobicContact CD2-CG 3.59Å; F620-F672 HydrophobicContact CE2-CB 4Å; F620-F672 HydrophobicContact CE2-CG 4.41Å; F620-F672 HydrophobicContact CG-CG 4.46Å
621	K	80.4	Confident	77.4	Confident	144 Å²	144	64.6 Å²	64.6	63%	0.626	30%	0.302	S	S	*	.	H	α-helix	trans	-70.3	-23.5	178.3	-72	175.2	-179.9	178.7	0	114.4	I617 K618 C619	I617-K621 HydrophobicContact CG2-CD 4.17Å; I617-K621 VanDerWaalsContact O-CG 3.31Å; I617-K621 WeakPolarHBondContact O-CG 3.34Å; I617-K621 PolarHBondContact O-N 3.18Å; K618-K621 PolarHBondContact O-N 3.17Å; C619-K621 VanDerWaalsContact C-N 3.31Å; C619-K621 PolarHBondContact O-N 2.98Å
622	E	79.8	Confident	77.8	Confident	72 Å²	72	58.7 Å²	58.7	34%	0.336	28%	0.276	S	S	.	.	H	α-helix	trans	-77.4	-30.9	175.4	-77.2	-173.1	-164.4	0	0	111.9	K618 C619 F620 K625	K618-E622 WeakPolarHBondContact CE-OE1 3.32Å; K618-E622 IonicContact NZ-OE1 3.78Å; K618-E622 WeakPolarHBondContact O-CG 3.46Å; K618-E622 PolarHBondContact O-N 3.39Å; C619-E622 PolarHBondContact O-N 2.74Å; F620-E622 VanDerWaalsContact C-N 3.33Å; F620-E622 PolarHBondContact O-N 3.03Å; E622-K625 WeakPolarHBondContact O-CD 3.46Å; E622-K625 VanDerWaalsContact O-CE 3.31Å; E622-K625 WeakPolarHBondContact O-CE 3.23Å; E622-K625 PolarHBondContact O-NZ 2.92Å
623	V	79.7	Confident	78.1	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-82.4	-44.5	175.4	-174	0	0	0	0	111	C619 F620 K625 I631 D635 L636 Y639 L693	C619-V623 WeakPolarHBondContact O-CG2 3.31Å; C619-V623 PolarHBondContact O-N 2.85Å; C619-V623 VanDerWaalsContact O-N 3.08Å; F620-V623 PolarHBondContact O-N 3.28Å; V623-K625 VanDerWaalsContact C-N 3.35Å; V623-K625 WeakPolarHBondContact O-CG 3.4Å; V623-K625 PolarHBondContact O-N 2.83Å; V623-I631 HydrophobicContact CB-CD1 3.85Å; V623-I631 HydrophobicContact CB-CG1 4.13Å; V623-I631 HydrophobicContact CG1-CB 4.39Å; V623-I631 HydrophobicContact CG1-CD1 3.87Å; V623-I631 HydrophobicContact CG1-CG1 3.97Å; V623-I631 HydrophobicContact CG1-CG2 3.54Å; V623-D635 WeakPolarHBondContact O-CB 3.29Å; V623-L636 HydrophobicContact CG1-CD2 3.9Å; V623-Y639 HydrophobicContact CB-CD2 4.29Å; V623-Y639 HydrophobicContact CG1-CD2 4.43Å; V623-Y639 HydrophobicContact CG1-CG 4.25Å; V623-Y639 HydrophobicContact CG2-CD2 3.74Å; V623-Y639 HydrophobicContact CG2-CE2 3.69Å; V623-Y639 HydrophobicContact CG2-CG 4.17Å; V623-L693 HydrophobicContact CG2-CD2 3.94Å
624	D	81.3	Confident	78.6	Confident	11 Å²	11	57.3 Å²	57.3	6%	0.059	28%	0.278	C	S	.	.			trans	-65.9	85.6	175.1	176.3	8.1	0	0	0	110.8	F620 R627 N628 G629 I631	F620-D624 HydrophobicContact CD1-CB 4.46Å; F620-D624 HydrophobicContact CE1-CB 4.25Å; F620-D624 VanDerWaalsContact O-CB 3.27Å; F620-D624 WeakPolarHBondContact O-CB 3.27Å; F620-D624 PolarHBondContact O-N 2.88Å; D624-R627 WeakPolarHBondContact OD1-CA 3.32Å; D624-R627 PolarHBondContact OD1-N 3.2Å; D624-R627 WeakPolarHBondContact OD2-CA 3.27Å; D624-N628 PolarHBondContact OD1-N 3.49Å; D624-G629 WeakPolarHBondContact OD2-CA 3.35Å; D624-G629 PolarHBondContact OD2-N 2.82Å; D624-G629 VanDerWaalsContact OD2-N 3.07Å; D624-I631 HydrophobicContact CB-CG1 4.25Å
625	K	77.5	Confident	79	Confident	69 Å²	69	52.3 Å²	52.3	30%	0.3	26%	0.255	S	S	.	.	S	Bend	trans	-77.2	-34.1	-174.1	-64.7	-52.8	-166.7	-176.1	0	112.3	E622 V623 R627 D635 R638 E642	E622-K625 WeakPolarHBondContact O-CD 3.46Å; E622-K625 VanDerWaalsContact O-CE 3.31Å; E622-K625 WeakPolarHBondContact O-CE 3.23Å; E622-K625 PolarHBondContact O-NZ 2.92Å; V623-K625 VanDerWaalsContact C-N 3.35Å; V623-K625 WeakPolarHBondContact O-CG 3.4Å; V623-K625 PolarHBondContact O-N 2.83Å; K625-R627 VanDerWaalsContact C-N 3.31Å; K625-D635 WeakPolarHBondContact CB-OD1 3.4Å; K625-D635 PolarHBondContact N-OD1 2.72Å; K625-R638 HydrophobicContact CG-CB 4.26Å; K625-E642 WeakPolarHBondContact CE-OE2 3.45Å; K625-E642 IonicContact NZ-OE1 3.77Å; K625-E642 IonicContact NZ-OE2 2.65Å; K625-E642 PolarHBondContact NZ-OE2 3.13Å
626	D	78.6	Confident	79.2	Confident	77 Å²	77	49.3 Å²	49.3	41%	0.412	24%	0.239	S	C	.	.	S	Bend	trans	-82.1	-11.8	-179.9	75.4	2.3	0	0	0	113.1	N628 D635	D626-N628 VanDerWaalsContact CG-ND2 3.32Å; D626-N628 PolarHBondContact O-N 3.25Å; D626-N628 WeakPolarHBondContact OD1-CB 3.5Å; D626-N628 PolarHBondContact OD1-N 2.75Å; D626-N628 PolarHBondContact OD1-ND2 3.37Å; D626-N628 VanDerWaalsContact OD1-ND2 3.16Å; D626-N628 PolarHBondContact OD1-OD1 3.38Å; D626-N628 PolarHBondContact OD2-ND2 2.85Å; D626-D635 PolarHBondContact N-OD1 3.4Å
627	R	77.6	Confident	79.6	Confident	222 Å²	222	52.1 Å²	52.1	84%	0.838	25%	0.249	S	C	*	.			trans	61.5	31.7	177.8	-56.1	-179.3	178	179.9	0.1	112.6	D624 K625 G629	D624-R627 WeakPolarHBondContact OD1-CA 3.32Å; D624-R627 PolarHBondContact OD1-N 3.2Å; D624-R627 WeakPolarHBondContact OD2-CA 3.27Å; K625-R627 VanDerWaalsContact C-N 3.31Å; R627-G629 VanDerWaalsContact C-N 3.29Å
628	N	79	Confident	79.8	Confident	79 Å²	79	56.2 Å²	56.2	42%	0.422	26%	0.261	S	S	.	.	S	Bend	trans	-82.8	-9.7	177.9	76	18.4	0	0	0	112.4	D624 D626 G630	D624-N628 PolarHBondContact OD1-N 3.49Å; D626-N628 VanDerWaalsContact CG-ND2 3.32Å; D626-N628 PolarHBondContact O-N 3.25Å; D626-N628 WeakPolarHBondContact OD1-CB 3.5Å; D626-N628 PolarHBondContact OD1-N 2.75Å; D626-N628 PolarHBondContact OD1-ND2 3.37Å; D626-N628 VanDerWaalsContact OD1-ND2 3.16Å; D626-N628 PolarHBondContact OD1-OD1 3.38Å; D626-N628 PolarHBondContact OD2-ND2 2.85Å; N628-G630 WeakPolarHBondContact OD1-CA 3.29Å; N628-G630 PolarHBondContact OD1-N 3.39Å; N628-G630 PolarHBondContact OD1-O 3.36Å
629	G	74	Confident	79.8	Confident	41 Å²	41	50.7 Å²	50.7	42%	0.423	24%	0.237	S	C	.	.	S	Bend	trans	94.3	7.2	-178.8	0	0	0	0	0	114.8	F620 D624 R627	F620-G629 WeakPolarHBondContact CZ-O 3.48Å; D624-G629 WeakPolarHBondContact OD2-CA 3.35Å; D624-G629 PolarHBondContact OD2-N 2.82Å; D624-G629 VanDerWaalsContact OD2-N 3.07Å; R627-G629 VanDerWaalsContact C-N 3.29Å
630	G	80.8	Confident	80.1	Confident	2 Å²	2	50.9 Å²	50.9	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	140.2	177	0	0	0	0	0	111.2	N628 S632 I667	N628-G630 WeakPolarHBondContact OD1-CA 3.29Å; N628-G630 PolarHBondContact OD1-N 3.39Å; N628-G630 PolarHBondContact OD1-O 3.36Å; G630-S632 PolarHBondContact O-N 3.47Å; G630-I667 CarbonylContact C-O 3.55Å; G630-I667 WeakPolarHBondContact CA-O 3.3Å
631	I	81.7	Confident	80.2	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	107.1	174.5	-63.1	163.9	0	0	0	108	F620 V623 D624 D635 L636 L656 E666 I667 F672 F689	F620-I631 HydrophobicContact CD2-CD1 3.48Å; F620-I631 VanDerWaalsContact CD2-CD1 3.48Å; F620-I631 HydrophobicContact CD2-CG1 4.05Å; F620-I631 HydrophobicContact CE2-CD1 3.63Å; F620-I631 HydrophobicContact CE2-CG1 3.77Å; F620-I631 HydrophobicContact CG-CD1 4.24Å; F620-I631 HydrophobicContact CZ-CD1 4.47Å; F620-I631 HydrophobicContact CZ-CG1 4.17Å; V623-I631 HydrophobicContact CB-CD1 3.85Å; V623-I631 HydrophobicContact CB-CG1 4.13Å; V623-I631 HydrophobicContact CG1-CB 4.39Å; V623-I631 HydrophobicContact CG1-CD1 3.87Å; V623-I631 HydrophobicContact CG1-CG1 3.97Å; V623-I631 HydrophobicContact CG1-CG2 3.54Å; D624-I631 HydrophobicContact CB-CG1 4.25Å; I631-D635 HydrophobicContact CG2-CB 4.22Å; I631-L636 HydrophobicContact CG2-CD1 4.41Å; I631-L636 HydrophobicContact CG2-CD2 3.72Å; I631-L636 HydrophobicContact CG2-CG 3.69Å; I631-L656 WeakPolarHBondContact O-CD1 3.39Å; I631-E666 WeakPolarHBondContact O-CA 3.24Å; I631-I667 HydrophobicContact CB-CB 4.16Å; I631-I667 PolarHBondContact N-O 3.05Å; I631-I667 PolarHBondContact O-N 2.82Å; I631-F672 HydrophobicContact CD1-CD2 3.84Å; I631-F672 HydrophobicContact CD1-CE2 3.98Å; I631-F689 HydrophobicContact CD1-CZ 4.49Å
632	S	82.1	Confident	80.1	Confident	14 Å²	14	56.1 Å²	56.1	10%	0.098	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	169.7	174.8	77.7	0	0	0	0	112	G630 N634 D635 L636	G630-S632 PolarHBondContact O-N 3.47Å; S632-N634 PolarHBondContact O-N 3.07Å; S632-N634 PolarHBondContact OG-N 3.33Å; S632-D635 VanDerWaalsContact CB-OD2 3.27Å; S632-D635 WeakPolarHBondContact CB-OD2 3.25Å; S632-D635 PolarHBondContact N-OD2 2.76Å; S632-D635 WeakPolarHBondContact O-CB 3.44Å; S632-D635 PolarHBondContact O-N 3.36Å; S632-D635 VanDerWaalsContact O-N 3.11Å; S632-D635 PolarHBondContact OG-N 3.05Å; S632-D635 PolarHBondContact OG-OD2 3.35Å; S632-L636 PolarHBondContact O-N 3.28Å
633	M	78.6	Confident	80	Confident	42 Å²	42	57.5 Å²	57.5	21%	0.207	27%	0.267	C	S	.	.	H	α-helix	trans	-57.8	-34.7	170.5	-172.7	177.1	61.3	0	0	112.8	D635 L636 R637 L652 H653 L656	M633-D635 VanDerWaalsContact C-N 3.31Å; M633-L636 PolarHBondContact O-N 2.85Å; M633-R637 WeakPolarHBondContact O-CB 3.32Å; M633-R637 PolarHBondContact O-N 3.44Å; M633-L652 HydrophobicContact CG-CB 4.12Å; M633-H653 PolarHBondContact SD-CE1 3.44Å; M633-H653 PolarHBondContact SD-ND1 2.87Å; M633-L656 HydrophobicContact CB-CD2 4.39Å
634	N	80.5	Confident	79.7	Confident	84 Å²	84	60.7 Å²	60.7	45%	0.449	30%	0.3	S	S	.	.	H	α-helix	trans	-69.4	-33.2	178.4	-69.2	-34.1	0	0	0	111.5	S632 R637 R638	S632-N634 PolarHBondContact O-N 3.07Å; S632-N634 PolarHBondContact OG-N 3.33Å; N634-R637 PolarHBondContact O-N 2.78Å; N634-R637 PolarHBondContact OD1-NH1 3.26Å; N634-R638 VanDerWaalsContact O-CG 3.31Å; N634-R638 WeakPolarHBondContact O-CG 3.23Å; N634-R638 PolarHBondContact O-N 2.68Å
635	D	82.2	Confident	79.4	Confident	1 Å²	1	64 Å²	64	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-68.7	-44.6	175.6	-63.5	-55	0	0	0	111.2	V623 K625 D626 I631 S632 M633 R637 R638 Y639	V623-D635 WeakPolarHBondContact O-CB 3.29Å; K625-D635 WeakPolarHBondContact CB-OD1 3.4Å; K625-D635 PolarHBondContact N-OD1 2.72Å; D626-D635 PolarHBondContact N-OD1 3.4Å; I631-D635 HydrophobicContact CG2-CB 4.22Å; S632-D635 VanDerWaalsContact CB-OD2 3.27Å; S632-D635 WeakPolarHBondContact CB-OD2 3.25Å; S632-D635 PolarHBondContact N-OD2 2.76Å; S632-D635 WeakPolarHBondContact O-CB 3.44Å; S632-D635 PolarHBondContact O-N 3.36Å; S632-D635 VanDerWaalsContact O-N 3.11Å; S632-D635 PolarHBondContact OG-N 3.05Å; S632-D635 PolarHBondContact OG-OD2 3.35Å; M633-D635 VanDerWaalsContact C-N 3.31Å; D635-R637 VanDerWaalsContact C-N 3.34Å; D635-R637 PolarHBondContact O-N 2.92Å; D635-R638 PolarHBondContact O-N 3.44Å; D635-Y639 VanDerWaalsContact O-CB 3.25Å; D635-Y639 WeakPolarHBondContact O-CB 3.38Å; D635-Y639 PolarHBondContact O-N 3.07Å
636	L	80.4	Confident	79.1	Confident	2 Å²	2	70.8 Å²	70.8	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-58.8	-46.5	172.4	-68.1	173.9	0	0	0	111.3	V623 I631 S632 M633 R638 Y639 F640 L652 L655 L656 F689	V623-L636 HydrophobicContact CG1-CD2 3.9Å; I631-L636 HydrophobicContact CG2-CD1 4.41Å; I631-L636 HydrophobicContact CG2-CD2 3.72Å; I631-L636 HydrophobicContact CG2-CG 3.69Å; S632-L636 PolarHBondContact O-N 3.28Å; M633-L636 PolarHBondContact O-N 2.85Å; L636-R638 PolarHBondContact O-N 2.64Å; L636-Y639 PolarHBondContact O-N 3.48Å; L636-F640 HydrophobicContact CB-CD2 4.45Å; L636-F640 HydrophobicContact CB-CE2 4.29Å; L636-F640 HydrophobicContact CD2-CE2 4.35Å; L636-F640 WeakPolarHBondContact O-CD2 3.22Å; L636-F640 PolarHBondContact O-N 2.84Å; L636-L652 HydrophobicContact CB-CD2 3.6Å; L636-L655 HydrophobicContact CD1-CB 4.39Å; L636-L656 HydrophobicContact CD1-CB 4.35Å; L636-L656 HydrophobicContact CD1-CD1 4.17Å; L636-F689 HydrophobicContact CD1-CE2 4.28Å; L636-F689 HydrophobicContact CD2-CE2 3.67Å; L636-F689 HydrophobicContact CD2-CZ 4.39Å
637	R	82.3	Confident	78.9	Confident	62 Å²	62	68.6 Å²	68.6	23%	0.234	33%	0.332	C	S	.	.	H	α-helix	trans	-55.8	-50.8	177.2	-168.3	-175.2	-60.5	110.2	4.1	111.3	M633 N634 D635 Y639 F640 E641 E649 L652	M633-R637 WeakPolarHBondContact O-CB 3.32Å; M633-R637 PolarHBondContact O-N 3.44Å; N634-R637 PolarHBondContact O-N 2.78Å; N634-R637 PolarHBondContact OD1-NH1 3.26Å; D635-R637 VanDerWaalsContact C-N 3.34Å; D635-R637 PolarHBondContact O-N 2.92Å; R637-Y639 VanDerWaalsContact C-N 3.35Å; R637-Y639 PolarHBondContact O-N 3.27Å; R637-F640 PolarHBondContact O-N 2.88Å; R637-E641 HydrophobicContact CG-CG 4.44Å; R637-E641 WeakPolarHBondContact CG-OE1 3.38Å; R637-E641 WeakPolarHBondContact O-CB 3.38Å; R637-E641 VanDerWaalsContact O-CG 3.29Å; R637-E641 WeakPolarHBondContact O-CG 3.2Å; R637-E641 PolarHBondContact O-N 3.23Å; R637-E649 IonicContact CZ-OE1 3.5Å; R637-E649 IonicContact CZ-OE2 3.33Å; R637-E649 IonicContact NE-OE1 3.51Å; R637-E649 PolarHBondContact NE-OE1 3.23Å; R637-E649 IonicContact NH2-OE1 3.47Å; R637-E649 PolarHBondContact NH2-OE1 3.09Å; R637-E649 IonicContact NH2-OE2 3.62Å; R637-E649 PolarHBondContact NH2-OE2 3.15Å; R637-L652 HydrophobicContact CB-CD1 3.82Å; R637-L652 HydrophobicContact CG-CD1 3.98Å
638	R	81.9	Confident	78.9	Confident	128 Å²	128	62.2 Å²	62.2	48%	0.483	32%	0.315	S	S	.	.	H	α-helix	trans	-61.5	-42.9	178.7	-74.6	173.3	177.7	174.8	0.9	112	K625 N634 D635 L636 F640 E641 E642	K625-R638 HydrophobicContact CG-CB 4.26Å; N634-R638 VanDerWaalsContact O-CG 3.31Å; N634-R638 WeakPolarHBondContact O-CG 3.23Å; N634-R638 PolarHBondContact O-N 2.68Å; D635-R638 PolarHBondContact O-N 3.44Å; L636-R638 PolarHBondContact O-N 2.64Å; R638-F640 PolarHBondContact O-N 2.91Å; R638-E641 PolarHBondContact O-N 3.41Å; R638-E642 WeakPolarHBondContact O-CB 3.23Å; R638-E642 WeakPolarHBondContact O-CG 3.35Å; R638-E642 PolarHBondContact O-N 3.32Å
639	Y	81.8	Confident	78.5	Confident	6 Å²	6	62.4 Å²	62.4	2%	0.024	31%	0.313	C	S	.	.	H	α-helix	trans	-59.9	-44	178.9	176.2	-96.7	0	0	0	112.1	V623 D635 L636 R637 R643 L693	V623-Y639 HydrophobicContact CB-CD2 4.29Å; V623-Y639 HydrophobicContact CG1-CD2 4.43Å; V623-Y639 HydrophobicContact CG1-CG 4.25Å; V623-Y639 HydrophobicContact CG2-CD2 3.74Å; V623-Y639 HydrophobicContact CG2-CE2 3.69Å; V623-Y639 HydrophobicContact CG2-CG 4.17Å; D635-Y639 VanDerWaalsContact O-CB 3.25Å; D635-Y639 WeakPolarHBondContact O-CB 3.38Å; D635-Y639 PolarHBondContact O-N 3.07Å; L636-Y639 PolarHBondContact O-N 3.48Å; R637-Y639 VanDerWaalsContact C-N 3.35Å; R637-Y639 PolarHBondContact O-N 3.27Å; Y639-R643 PolarHBondContact OH-NH1 2.78Å; Y639-R643 PolarHBondContact OH-NH2 3.05Å; Y639-R643 VanDerWaalsContact OH-NH2 3.1Å; Y639-L693 HydrophobicContact CE1-CD2 3.78Å; Y639-L693 WeakPolarHBondContact OH-CD2 3.44Å
640	F	81.8	Confident	78.3	Confident	5 Å²	5	66.9 Å²	66.9	2%	0.022	33%	0.328	C	S	.	.	H	α-helix	trans	-72.7	-39.6	176.9	-70.5	-63	0	0	0	113.2	L636 R637 R638 E642 R643 G644 E645 I647 L652 L655 Y692	L636-F640 HydrophobicContact CB-CD2 4.45Å; L636-F640 HydrophobicContact CB-CE2 4.29Å; L636-F640 HydrophobicContact CD2-CE2 4.35Å; L636-F640 WeakPolarHBondContact O-CD2 3.22Å; L636-F640 PolarHBondContact O-N 2.84Å; R637-F640 PolarHBondContact O-N 2.88Å; R638-F640 PolarHBondContact O-N 2.91Å; F640-E642 VanDerWaalsContact C-N 3.33Å; F640-E642 PolarHBondContact O-N 3.05Å; F640-R643 PolarHBondContact O-N 3.36Å; F640-R643 VanDerWaalsContact O-N 3.16Å; F640-G644 PolarHBondContact O-N 3.14Å; F640-E645 HydrophobicContact CB-CB 4.44Å; F640-E645 HydrophobicContact CD1-CB 4.2Å; F640-E645 WeakPolarHBondContact CD1-OE2 3.41Å; F640-E645 PolarHBondContact O-N 2.83Å; F640-I647 HydrophobicContact CB-CD1 4.34Å; F640-I647 HydrophobicContact CB-CG1 4.28Å; F640-I647 HydrophobicContact CD1-CD1 3.38Å; F640-I647 HydrophobicContact CD1-CG1 4.08Å; F640-I647 HydrophobicContact CD2-CB 4.49Å; F640-I647 HydrophobicContact CD2-CD1 3.57Å; F640-I647 HydrophobicContact CD2-CG1 4.26Å; F640-I647 HydrophobicContact CE1-CD1 3.39Å; F640-I647 HydrophobicContact CE2-CD1 3.59Å; F640-I647 HydrophobicContact CG-CB 4.49Å; F640-I647 HydrophobicContact CG-CD1 3.48Å; F640-I647 VanDerWaalsContact CG-CD1 3.48Å; F640-I647 HydrophobicContact CG-CG1 3.95Å; F640-I647 HydrophobicContact CZ-CD1 3.49Å; F640-I647 VanDerWaalsContact CZ-CD1 3.49Å; F640-L652 HydrophobicContact CD2-CD2 3.74Å; F640-L652 HydrophobicContact CE2-CD2 4.03Å; F640-L655 HydrophobicContact CE2-CD1 3.72Å; F640-L655 HydrophobicContact CZ-CD1 3.86Å; F640-Y692 HydrophobicContact CD1-CD1 4.37Å; F640-Y692 AromaticContact CE1-CD1 3.42Å; F640-Y692 HydrophobicContact CE1-CD1 3.42Å; F640-Y692 VanDerWaalsContact CE1-CD1 3.42Å; F640-Y692 HydrophobicContact CE1-CE1 4.21Å; F640-Y692 AromaticContact CE1-CG 3.61Å; F640-Y692 HydrophobicContact CE1-CG 3.61Å; F640-Y692 AromaticContact CZ-CD1 3.89Å; F640-Y692 HydrophobicContact CZ-CD1 3.89Å; F640-Y692 HydrophobicContact CZ-CD2 4.15Å; F640-Y692 AromaticContact CZ-CG 3.61Å; F640-Y692 HydrophobicContact CZ-CG 3.61Å
641	E	81.5	Confident	77.8	Confident	129 Å²	129	68.9 Å²	68.9	60%	0.603	34%	0.336	S	S	*	.	H	α-helix	trans	-58.9	-42.4	175.3	-77.4	175.6	178.3	0	0	112.1	R637 R638 R643 G644	R637-E641 HydrophobicContact CG-CG 4.44Å; R637-E641 WeakPolarHBondContact CG-OE1 3.38Å; R637-E641 WeakPolarHBondContact O-CB 3.38Å; R637-E641 VanDerWaalsContact O-CG 3.29Å; R637-E641 WeakPolarHBondContact O-CG 3.2Å; R637-E641 PolarHBondContact O-N 3.23Å; R638-E641 PolarHBondContact O-N 3.41Å; E641-R643 VanDerWaalsContact C-N 3.26Å; E641-R643 PolarHBondContact O-N 3.22Å; E641-G644 PolarHBondContact O-N 3.24Å; E641-G644 VanDerWaalsContact O-N 3.12Å
642	E	79.8	Confident	77.5	Confident	132 Å²	132	69 Å²	69	62%	0.617	34%	0.337	S	S	*	.	H	α-helix	trans	-62.9	-30.2	177.1	-78.1	177.4	-177.2	0	0	113.1	K625 R638 F640 G644	K625-E642 WeakPolarHBondContact CE-OE2 3.45Å; K625-E642 IonicContact NZ-OE1 3.77Å; K625-E642 IonicContact NZ-OE2 2.65Å; K625-E642 PolarHBondContact NZ-OE2 3.13Å; R638-E642 WeakPolarHBondContact O-CB 3.23Å; R638-E642 WeakPolarHBondContact O-CG 3.35Å; R638-E642 PolarHBondContact O-N 3.32Å; F640-E642 VanDerWaalsContact C-N 3.33Å; F640-E642 PolarHBondContact O-N 3.05Å; E642-G644 VanDerWaalsContact C-N 3.34Å
643	R	76.3	Confident	76.8	Confident	102 Å²	102	72.7 Å²	72.7	39%	0.385	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-2.5	177.6	-68.5	-172.1	172	-163.2	1.9	113.5	Y639 F640 E641 E645 E696	Y639-R643 PolarHBondContact OH-NH1 2.78Å; Y639-R643 PolarHBondContact OH-NH2 3.05Å; Y639-R643 VanDerWaalsContact OH-NH2 3.1Å; F640-R643 PolarHBondContact O-N 3.36Å; F640-R643 VanDerWaalsContact O-N 3.16Å; E641-R643 VanDerWaalsContact C-N 3.26Å; E641-R643 PolarHBondContact O-N 3.22Å; R643-E645 PolarHBondContact O-N 2.88Å; R643-E696 IonicContact CZ-OE1 3.33Å; R643-E696 IonicContact NH2-OE1 2.78Å; R643-E696 PolarHBondContact NH2-OE1 2.99Å
644	G	74.6	Confident	76.4	Confident	66 Å²	66	73.4 Å²	73.4	68%	0.68	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	14.7	-176.8	0	0	0	0	0	113.7	F640 E641 E642	F640-G644 PolarHBondContact O-N 3.14Å; E641-G644 PolarHBondContact O-N 3.24Å; E641-G644 VanDerWaalsContact O-N 3.12Å; E642-G644 VanDerWaalsContact C-N 3.34Å
645	E	74.7	Confident	76	Confident	82 Å²	82	69.4 Å²	69.4	38%	0.383	33%	0.331	S	S	.	.			trans	-86.2	121.1	175.2	-70.1	-171.3	174.9	0	0	109.8	F640 R643 I647	F640-E645 HydrophobicContact CB-CB 4.44Å; F640-E645 HydrophobicContact CD1-CB 4.2Å; F640-E645 WeakPolarHBondContact CD1-OE2 3.41Å; F640-E645 PolarHBondContact O-N 2.83Å; R643-E645 PolarHBondContact O-N 2.88Å; E645-I647 PolarHBondContact O-N 3.15Å
646	K	70.8	Confident	75.5	Confident	211 Å²	211	69.9 Å²	69.9	92%	0.917	33%	0.334	S	S	*	.			trans	-86.9	96.1	175.8	-73.2	-173	178.4	-178.9	0	109.9
647	I	73.6	Confident	74.9	Confident	31 Å²	31	75.2 Å²	75.2	16%	0.159	36%	0.362	C	S	.	.			trans	-98	138.3	170.1	-59.4	-162.7	0	0	0	109.4	F640 E645 E651 L652 L655 Y692	F640-I647 HydrophobicContact CB-CD1 4.34Å; F640-I647 HydrophobicContact CB-CG1 4.28Å; F640-I647 HydrophobicContact CD1-CD1 3.38Å; F640-I647 HydrophobicContact CD1-CG1 4.08Å; F640-I647 HydrophobicContact CD2-CB 4.49Å; F640-I647 HydrophobicContact CD2-CD1 3.57Å; F640-I647 HydrophobicContact CD2-CG1 4.26Å; F640-I647 HydrophobicContact CE1-CD1 3.39Å; F640-I647 HydrophobicContact CE2-CD1 3.59Å; F640-I647 HydrophobicContact CG-CB 4.49Å; F640-I647 HydrophobicContact CG-CD1 3.48Å; F640-I647 VanDerWaalsContact CG-CD1 3.48Å; F640-I647 HydrophobicContact CG-CG1 3.95Å; F640-I647 HydrophobicContact CZ-CD1 3.49Å; F640-I647 VanDerWaalsContact CZ-CD1 3.49Å; E645-I647 PolarHBondContact O-N 3.15Å; I647-E651 HydrophobicContact CG2-CB 3.64Å; I647-E651 HydrophobicContact CG2-CG 3.72Å; I647-L652 HydrophobicContact CG2-CD2 4.2Å; I647-L652 HydrophobicContact CG2-CG 3.86Å; I647-L655 HydrophobicContact CD1-CD1 4.18Å; I647-Y692 HydrophobicContact CD1-CD1 3.9Å; I647-Y692 HydrophobicContact CD1-CE1 3.44Å; I647-Y692 VanDerWaalsContact CD1-CE1 3.44Å; I647-Y692 HydrophobicContact CD1-CE2 4.16Å; I647-Y692 HydrophobicContact CD1-CG 4.43Å; I647-Y692 HydrophobicContact CG1-CE1 4.4Å
648	N	77.5	Confident	74.1	Confident	88 Å²	88	73.4 Å²	73.4	47%	0.471	36%	0.356	S	S	.	.			trans	-83.9	159.8	176.5	69	55.4	0	0	0	111.6	N650 E651 L652	N648-N650 VanDerWaalsContact C-N 3.29Å; N648-N650 PolarHBondContact O-N 3.47Å; N648-N650 WeakPolarHBondContact OD1-CB 3.34Å; N648-N650 PolarHBondContact OD1-N 3.13Å; N648-N650 VanDerWaalsContact OD1-N 3.16Å; N648-E651 PolarHBondContact O-N 3.02Å; N648-E651 VanDerWaalsContact OD1-CB 3.29Å; N648-E651 WeakPolarHBondContact OD1-CB 3.27Å; N648-E651 PolarHBondContact OD1-N 3.45Å; N648-L652 PolarHBondContact O-N 3.36Å
649	E	72.6	Confident	73.6	Confident	83 Å²	83	67.3 Å²	67.3	39%	0.388	33%	0.333	S	S	.	.	H	α-helix	trans	-57.5	-37	-178.3	-73.4	-63.3	145.6	0	0	114.1	R637 E651 L652 H653	R637-E649 IonicContact CZ-OE1 3.5Å; R637-E649 IonicContact CZ-OE2 3.33Å; R637-E649 IonicContact NE-OE1 3.51Å; R637-E649 PolarHBondContact NE-OE1 3.23Å; R637-E649 IonicContact NH2-OE1 3.47Å; R637-E649 PolarHBondContact NH2-OE1 3.09Å; R637-E649 IonicContact NH2-OE2 3.62Å; R637-E649 PolarHBondContact NH2-OE2 3.15Å; E649-E651 VanDerWaalsContact C-N 3.27Å; E649-E651 PolarHBondContact O-N 3.37Å; E649-L652 PolarHBondContact O-N 2.81Å; E649-H653 PolarHBondContact O-N 3.01Å; E649-H653 PolarHBondContact O-ND1 3.4Å
650	N	69.4	Low	73.1	Confident	135 Å²	135	67.4 Å²	67.4	72%	0.722	33%	0.334	S	S	*	.	H	α-helix	trans	-67.3	-32.9	178.8	-69	-14.2	0	0	0	111.5	N648 R654	N648-N650 VanDerWaalsContact C-N 3.29Å; N648-N650 PolarHBondContact O-N 3.47Å; N648-N650 WeakPolarHBondContact OD1-CB 3.34Å; N648-N650 PolarHBondContact OD1-N 3.13Å; N648-N650 VanDerWaalsContact OD1-N 3.16Å; N650-R654 VanDerWaalsContact O-CB 3.3Å; N650-R654 WeakPolarHBondContact O-CB 3.5Å; N650-R654 PolarHBondContact O-N 2.91Å
651	E	70.5	Confident	72.4	Confident	44 Å²	44	68 Å²	68	21%	0.206	34%	0.338	C	S	.	.	H	α-helix	trans	-78.1	-34.3	178.2	-172.7	161.7	-155.4	0	0	111.6	I647 N648 E649 R654 L655 Y692	I647-E651 HydrophobicContact CG2-CB 3.64Å; I647-E651 HydrophobicContact CG2-CG 3.72Å; N648-E651 PolarHBondContact O-N 3.02Å; N648-E651 VanDerWaalsContact OD1-CB 3.29Å; N648-E651 WeakPolarHBondContact OD1-CB 3.27Å; N648-E651 PolarHBondContact OD1-N 3.45Å; E649-E651 VanDerWaalsContact C-N 3.27Å; E649-E651 PolarHBondContact O-N 3.37Å; E651-R654 WeakPolarHBondContact O-CB 3.5Å; E651-R654 PolarHBondContact O-N 2.9Å; E651-R654 IonicContact OE1-NH2 3.89Å; E651-R654 PolarHBondContact OE1-NH2 3.38Å; E651-L655 VanDerWaalsContact O-CG 3.23Å; E651-L655 WeakPolarHBondContact O-CG 3.37Å; E651-L655 PolarHBondContact O-N 3.24Å; E651-Y692 PolarHBondContact OE1-OH 2.89Å
652	L	74.2	Confident	71.7	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-62.7	-48.8	169.2	-75.2	168.9	0	0	0	112.3	M633 L636 R637 F640 I647 N648 E649 R654 L655 L656	M633-L652 HydrophobicContact CG-CB 4.12Å; L636-L652 HydrophobicContact CB-CD2 3.6Å; R637-L652 HydrophobicContact CB-CD1 3.82Å; R637-L652 HydrophobicContact CG-CD1 3.98Å; F640-L652 HydrophobicContact CD2-CD2 3.74Å; F640-L652 HydrophobicContact CE2-CD2 4.03Å; I647-L652 HydrophobicContact CG2-CD2 4.2Å; I647-L652 HydrophobicContact CG2-CG 3.86Å; N648-L652 PolarHBondContact O-N 3.36Å; E649-L652 PolarHBondContact O-N 2.81Å; L652-R654 PolarHBondContact O-N 3Å; L652-L655 PolarHBondContact O-N 3.11Å; L652-L655 VanDerWaalsContact O-N 3.15Å; L652-L656 PolarHBondContact O-N 3.14Å
653	H	68.9	Low	71.1	Confident	92 Å²	92	65.2 Å²	65.2	43%	0.426	33%	0.325	S	S	.	.	H	α-helix	trans	-55.4	-43.5	173.4	-92.6	72.9	0	0	0	110.9	M633 E649 L655 L656 D657	M633-H653 PolarHBondContact SD-CE1 3.44Å; M633-H653 PolarHBondContact SD-ND1 2.87Å; E649-H653 PolarHBondContact O-N 3.01Å; E649-H653 PolarHBondContact O-ND1 3.4Å; H653-L655 PolarHBondContact O-N 3.47Å; H653-L656 PolarHBondContact O-N 3.25Å; H653-D657 WeakPolarHBondContact O-CB 3.28Å; H653-D657 PolarHBondContact O-N 3.14Å
654	R	68.5	Low	70.8	Confident	56 Å²	56	64.8 Å²	64.8	21%	0.211	33%	0.331	C	S	.	.	H	α-helix	trans	-61	-43	177.8	-177.5	-178.4	77.1	116.2	-9.9	112.4	N650 E651 L652 L656 E658 P688	N650-R654 VanDerWaalsContact O-CB 3.3Å; N650-R654 WeakPolarHBondContact O-CB 3.5Å; N650-R654 PolarHBondContact O-N 2.91Å; E651-R654 WeakPolarHBondContact O-CB 3.5Å; E651-R654 PolarHBondContact O-N 2.9Å; E651-R654 IonicContact OE1-NH2 3.89Å; E651-R654 PolarHBondContact OE1-NH2 3.38Å; L652-R654 PolarHBondContact O-N 3Å; R654-L656 VanDerWaalsContact C-N 3.33Å; R654-E658 HydrophobicContact CG-CG 4.48Å; R654-E658 WeakPolarHBondContact CG-OE1 3.11Å; R654-E658 IonicContact NH1-OE1 3.71Å; R654-E658 VanDerWaalsContact O-CB 3.27Å; R654-E658 WeakPolarHBondContact O-CB 3.37Å; R654-E658 WeakPolarHBondContact O-CG 3.33Å; R654-E658 PolarHBondContact O-N 2.94Å; R654-P688 VanDerWaalsContact NH1-CG 3.32Å
655	L	72	Confident	70.6	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-65	-39.6	179	-73.1	172.1	0	0	0	111.9	L636 F640 I647 E651 L652 H653 P688 F689 Y692	L636-L655 HydrophobicContact CD1-CB 4.39Å; F640-L655 HydrophobicContact CE2-CD1 3.72Å; F640-L655 HydrophobicContact CZ-CD1 3.86Å; I647-L655 HydrophobicContact CD1-CD1 4.18Å; E651-L655 VanDerWaalsContact O-CG 3.23Å; E651-L655 WeakPolarHBondContact O-CG 3.37Å; E651-L655 PolarHBondContact O-N 3.24Å; L652-L655 PolarHBondContact O-N 3.11Å; L652-L655 VanDerWaalsContact O-N 3.15Å; H653-L655 PolarHBondContact O-N 3.47Å; L655-P688 HydrophobicContact CD2-CB 3.83Å; L655-F689 HydrophobicContact CB-CD2 4.23Å; L655-F689 HydrophobicContact CD2-CB 4.19Å; L655-F689 VanDerWaalsContact CD2-N 3.35Å; L655-Y692 HydrophobicContact CD1-CD2 3.77Å; L655-Y692 HydrophobicContact CD1-CE2 3.84Å; L655-Y692 HydrophobicContact CD2-CD2 3.52Å; L655-Y692 HydrophobicContact CD2-CE2 3.73Å; L655-Y692 HydrophobicContact CG-CD2 4.29Å; L655-Y692 HydrophobicContact CG-CE2 4.29Å
656	L	73.1	Confident	70.8	Confident	11 Å²	11	63 Å²	63	6%	0.058	31%	0.314	C	S	.	.	H	α-helix	trans	-67	-55	176.2	-167.7	79.2	0	0	0	110.9	I631 M633 L636 L652 H653 R654 E658 V659 D660 G665 I667	I631-L656 WeakPolarHBondContact O-CD1 3.39Å; M633-L656 HydrophobicContact CB-CD2 4.39Å; L636-L656 HydrophobicContact CD1-CB 4.35Å; L636-L656 HydrophobicContact CD1-CD1 4.17Å; L652-L656 PolarHBondContact O-N 3.14Å; H653-L656 PolarHBondContact O-N 3.25Å; R654-L656 VanDerWaalsContact C-N 3.33Å; L656-E658 PolarHBondContact O-N 3.31Å; L656-V659 PolarHBondContact O-N 3.41Å; L656-D660 VanDerWaalsContact O-CB 3.25Å; L656-D660 WeakPolarHBondContact O-CB 3.35Å; L656-D660 PolarHBondContact O-N 3.45Å; L656-G665 WeakPolarHBondContact CD2-O 3.33Å; L656-I667 HydrophobicContact CD1-CD1 3.97Å; L656-I667 HydrophobicContact CD1-CG1 3.95Å
657	D	67.5	Low	71.2	Confident	114 Å²	114	53 Å²	53	61%	0.61	27%	0.27	S	S	*	.	H	α-helix	trans	-58.3	-24.1	179.1	-81.6	-0.7	0	0	0	113.2	H653	H653-D657 WeakPolarHBondContact O-CB 3.28Å; H653-D657 PolarHBondContact O-N 3.14Å
658	E	66.3	Low	71.4	Confident	24 Å²	24	54 Å²	54	11%	0.112	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-17.6	178.6	-82.4	173.6	178	0	0	114.4	R597 R654 L656 N687 P688	R597-E658 PolarHBondContact NH1-O 3.01Å; R597-E658 PolarHBondContact NH2-O 2.94Å; R654-E658 HydrophobicContact CG-CG 4.48Å; R654-E658 WeakPolarHBondContact CG-OE1 3.11Å; R654-E658 IonicContact NH1-OE1 3.71Å; R654-E658 VanDerWaalsContact O-CB 3.27Å; R654-E658 WeakPolarHBondContact O-CB 3.37Å; R654-E658 WeakPolarHBondContact O-CG 3.33Å; R654-E658 PolarHBondContact O-N 2.94Å; L656-E658 PolarHBondContact O-N 3.31Å; E658-N687 PolarHBondContact O-ND2 3.44Å; E658-P688 WeakPolarHBondContact OE1-CG 3.39Å; E658-P688 WeakPolarHBondContact OE2-CB 3.42Å; E658-P688 WeakPolarHBondContact OE2-CD 3.46Å; E658-P688 WeakPolarHBondContact OE2-CG 3.04Å
659	V	70.6	Confident	71.3	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-31	-174.2	-178.8	0	0	0	0	112.4	L656 L661 I667 V675 F689	L656-V659 PolarHBondContact O-N 3.41Å; V659-L661 VanDerWaalsContact C-N 3.33Å; V659-L661 WeakPolarHBondContact O-CG 3.38Å; V659-L661 PolarHBondContact O-N 2.86Å; V659-I667 HydrophobicContact CB-CD1 3.64Å; V659-I667 HydrophobicContact CB-CG1 3.86Å; V659-I667 HydrophobicContact CG1-CB 4.22Å; V659-I667 HydrophobicContact CG1-CD1 3.69Å; V659-I667 HydrophobicContact CG1-CG1 3.73Å; V659-I667 HydrophobicContact CG1-CG2 3.46Å; V659-I667 VanDerWaalsContact CG1-CG2 3.46Å; V659-I667 HydrophobicContact CG2-CD1 4.46Å; V659-V675 HydrophobicContact CB-CG2 4.41Å; V659-V675 HydrophobicContact CG1-CB 4.29Å; V659-V675 HydrophobicContact CG1-CG2 3.78Å; V659-V675 HydrophobicContact CG2-CG1 4.37Å; V659-V675 HydrophobicContact CG2-CG2 4.49Å; V659-F689 HydrophobicContact CB-CG 4.47Å; V659-F689 HydrophobicContact CG1-CD1 4.39Å; V659-F689 HydrophobicContact CG1-CE1 4.24Å; V659-F689 HydrophobicContact CG2-CB 3.4Å; V659-F689 VanDerWaalsContact CG2-CB 3.4Å; V659-F689 HydrophobicContact CG2-CD1 3.61Å; V659-F689 HydrophobicContact CG2-CD2 3.82Å; V659-F689 HydrophobicContact CG2-CE1 4.19Å; V659-F689 HydrophobicContact CG2-CE2 4.41Å; V659-F689 HydrophobicContact CG2-CG 3.38Å
660	D	72.2	Confident	71.3	Confident	8 Å²	8	52.5 Å²	52.5	4%	0.043	28%	0.276	C	S	.	.			trans	-65.9	91.9	172.1	178.7	4.9	0	0	0	109.1	L656 N662 K663 N664 G665 I667	L656-D660 VanDerWaalsContact O-CB 3.25Å; L656-D660 WeakPolarHBondContact O-CB 3.35Å; L656-D660 PolarHBondContact O-N 3.45Å; D660-N662 PolarHBondContact OD1-N 2.9Å; D660-N662 PolarHBondContact OD1-OD1 3.28Å; D660-K663 VanDerWaalsContact OD1-CA 3.26Å; D660-K663 WeakPolarHBondContact OD1-CA 2.99Å; D660-K663 PolarHBondContact OD1-N 2.9Å; D660-K663 VanDerWaalsContact OD2-CA 3.24Å; D660-K663 WeakPolarHBondContact OD2-CA 3.45Å; D660-N664 PolarHBondContact OD1-N 3.35Å; D660-N664 PolarHBondContact OD1-OD1 2.89Å; D660-N664 PolarHBondContact OD2-N 3.34Å; D660-G665 WeakPolarHBondContact OD2-CA 3.48Å; D660-G665 PolarHBondContact OD2-N 2.75Å; D660-I667 HydrophobicContact CB-CG1 4.41Å
661	L	65.7	Low	71.4	Confident	19 Å²	19	46.4 Å²	46.4	10%	0.099	24%	0.243	C	C	.	.	S	Bend	trans	-75.7	-31.6	-175.7	-61	-175.1	0	0	0	110.3	Q598 Y601 V659 E671	Q598-L661 HydrophobicContact CG-CB 4.21Å; Q598-L661 HydrophobicContact CG-CD2 4.44Å; Q598-L661 WeakPolarHBondContact CG-O 3.45Å; Q598-L661 PolarHBondContact NE2-O 3.41Å; Y601-L661 HydrophobicContact CD2-CD1 3.94Å; Y601-L661 HydrophobicContact CD2-CD2 3.39Å; Y601-L661 HydrophobicContact CD2-CG 4.33Å; Y601-L661 HydrophobicContact CE2-CD2 3.61Å; Y601-L661 HydrophobicContact CG-CD1 4.01Å; Y601-L661 HydrophobicContact CG-CD2 4.26Å; V659-L661 VanDerWaalsContact C-N 3.33Å; V659-L661 WeakPolarHBondContact O-CG 3.38Å; V659-L661 PolarHBondContact O-N 2.86Å; L661-E671 HydrophobicContact CB-CG 4.19Å; L661-E671 HydrophobicContact CD1-CG 4.5Å; L661-E671 HydrophobicContact CG-CG 4.32Å; L661-E671 PolarHBondContact N-OE1 2.81Å
662	N	66.3	Low	71.8	Confident	78 Å²	78	44.4 Å²	44.4	42%	0.417	23%	0.233	S	C	.	.	S	Bend	trans	-91.8	-9.6	-176.7	74.8	50.6	0	0	0	113.6	D660 N664 E671	D660-N662 PolarHBondContact OD1-N 2.9Å; D660-N662 PolarHBondContact OD1-OD1 3.28Å; N662-N664 PolarHBondContact ND2-ND2 2.89Å; N662-N664 WeakPolarHBondContact OD1-CB 3.44Å; N662-N664 PolarHBondContact OD1-N 2.94Å; N662-N664 PolarHBondContact OD1-ND2 2.7Å; N662-N664 PolarHBondContact OD1-OD1 2.79Å; N662-N664 VanDerWaalsContact OD1-OD1 3.14Å; N662-E671 WeakPolarHBondContact CB-OE1 3.47Å; N662-E671 PolarHBondContact N-OE1 3.38Å; N662-E671 PolarHBondContact ND2-OE1 3.05Å
663	K	68.1	Low	71.7	Confident	123 Å²	123	45.4 Å²	45.4	54%	0.535	24%	0.239	S	C	.	.			trans	63.2	36.4	179.4	-56.5	-171.1	175.6	-170.7	0	114.3	Y553 D660	Y553-K663 VanDerWaalsContact CE1-NZ 3.31Å; Y553-K663 PolarHBondContact OH-NZ 2.87Å; Y553-K663 VanDerWaalsContact OH-NZ 3.08Å; D660-K663 VanDerWaalsContact OD1-CA 3.26Å; D660-K663 WeakPolarHBondContact OD1-CA 2.99Å; D660-K663 PolarHBondContact OD1-N 2.9Å; D660-K663 VanDerWaalsContact OD2-CA 3.24Å; D660-K663 WeakPolarHBondContact OD2-CA 3.45Å
664	N	70.7	Confident	71.8	Confident	94 Å²	94	43.5 Å²	43.5	50%	0.503	23%	0.23	S	C	.	.	S	Bend	trans	-89	-5.4	175.7	68.2	0.5	0	0	0	113.3	D660 N662 E666	D660-N664 PolarHBondContact OD1-N 3.35Å; D660-N664 PolarHBondContact OD1-OD1 2.89Å; D660-N664 PolarHBondContact OD2-N 3.34Å; N662-N664 PolarHBondContact ND2-ND2 2.89Å; N662-N664 WeakPolarHBondContact OD1-CB 3.44Å; N662-N664 PolarHBondContact OD1-N 2.94Å; N662-N664 PolarHBondContact OD1-ND2 2.7Å; N662-N664 PolarHBondContact OD1-OD1 2.79Å; N662-N664 VanDerWaalsContact OD1-OD1 3.14Å; N664-E666 PolarHBondContact OD1-N 3.18Å; N664-E666 PolarHBondContact OD1-O 3.21Å
665	G	69.2	Low	71.9	Confident	33 Å²	33	40.9 Å²	40.9	34%	0.34	22%	0.22	S	C	.	.	S	Bend	trans	88.5	8.3	-177.8	0	0	0	0	0	114.9	L656 D660	L656-G665 WeakPolarHBondContact CD2-O 3.33Å; D660-G665 WeakPolarHBondContact OD2-CA 3.48Å; D660-G665 PolarHBondContact OD2-N 2.75Å
666	E	78.5	Confident	71.9	Confident	78 Å²	78	41.1 Å²	41.1	36%	0.364	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	134.5	179.7	-65.9	179.7	173.7	0	0	110.3	I631 N664 D668	I631-E666 WeakPolarHBondContact O-CA 3.24Å; N664-E666 PolarHBondContact OD1-N 3.18Å; N664-E666 PolarHBondContact OD1-O 3.21Å; E666-D668 PolarHBondContact O-N 2.7Å
667	I	79.3	Confident	71.7	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	114.9	175.8	-60	156.4	0	0	0	108.6	F620 G630 I631 L656 V659 D660 E671 F672 F689	F620-I667 VanDerWaalsContact CE2-O 3.25Å; F620-I667 WeakPolarHBondContact CE2-O 3.25Å; F620-I667 WeakPolarHBondContact CZ-O 3.28Å; G630-I667 CarbonylContact C-O 3.55Å; G630-I667 WeakPolarHBondContact CA-O 3.3Å; I631-I667 HydrophobicContact CB-CB 4.16Å; I631-I667 PolarHBondContact N-O 3.05Å; I631-I667 PolarHBondContact O-N 2.82Å; L656-I667 HydrophobicContact CD1-CD1 3.97Å; L656-I667 HydrophobicContact CD1-CG1 3.95Å; V659-I667 HydrophobicContact CB-CD1 3.64Å; V659-I667 HydrophobicContact CB-CG1 3.86Å; V659-I667 HydrophobicContact CG1-CB 4.22Å; V659-I667 HydrophobicContact CG1-CD1 3.69Å; V659-I667 HydrophobicContact CG1-CG1 3.73Å; V659-I667 HydrophobicContact CG1-CG2 3.46Å; V659-I667 VanDerWaalsContact CG1-CG2 3.46Å; V659-I667 HydrophobicContact CG2-CD1 4.46Å; D660-I667 HydrophobicContact CB-CG1 4.41Å; I667-E671 WeakPolarHBondContact CA-OE2 3.48Å; I667-E671 HydrophobicContact CG2-CB 4.14Å; I667-F672 HydrophobicContact CG2-CB 4.03Å; I667-F672 HydrophobicContact CG2-CD2 4.39Å; I667-F689 HydrophobicContact CD1-CD2 4.27Å; I667-F689 HydrophobicContact CD1-CE1 4.49Å; I667-F689 HydrophobicContact CD1-CE2 3.47Å; I667-F689 VanDerWaalsContact CD1-CE2 3.47Å; I667-F689 HydrophobicContact CD1-CZ 3.61Å
668	D	79.3	Confident	71.6	Confident	51 Å²	51	35.4 Å²	35.4	27%	0.273	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	167.1	174.6	78.8	41.2	0	0	0	112.4	F620 E666 C670 E671 F672	F620-D668 VanDerWaalsContact CE2-C 3.46Å; E666-D668 PolarHBondContact O-N 2.7Å; D668-C670 VanDerWaalsContact C-N 3.26Å; D668-C670 PolarHBondContact O-N 3.4Å; D668-C670 VanDerWaalsContact OD1-CA 3.25Å; D668-C670 WeakPolarHBondContact OD1-CA 3.3Å; D668-C670 VanDerWaalsContact OD1-CB 3.22Å; D668-C670 WeakPolarHBondContact OD1-CB 3.43Å; D668-C670 PolarHBondContact OD1-N 3.25Å; D668-E671 PolarHBondContact N-OE2 3.24Å; D668-E671 PolarHBondContact O-N 3.1Å; D668-E671 PolarHBondContact OD1-N 3.12Å; D668-F672 WeakPolarHBondContact O-CB 3.5Å; D668-F672 PolarHBondContact O-N 2.95Å
669	L	75.2	Confident	71.6	Confident	57 Å²	57	35 Å²	35	30%	0.298	19%	0.189	S	C	.	.	H	α-helix	trans	-62.1	-33.8	-179.1	179.2	62.8	0	0	0	112.7	I617 F620 L673	I617-L669 HydrophobicContact CG1-CD1 3.94Å; I617-L669 HydrophobicContact CG1-CD2 4.23Å; F620-L669 HydrophobicContact CB-CD1 3.82Å; F620-L669 HydrophobicContact CD1-CB 4.34Å; F620-L669 HydrophobicContact CD1-CD1 3.92Å; F620-L669 HydrophobicContact CD2-CB 4.5Å; F620-L669 HydrophobicContact CD2-CD1 4.05Å; F620-L669 HydrophobicContact CE1-CB 4.13Å; F620-L669 HydrophobicContact CE2-CB 4.28Å; F620-L669 HydrophobicContact CG-CD1 3.64Å; F620-L669 HydrophobicContact CZ-CB 4.09Å; L669-L673 HydrophobicContact CD1-CD1 4.21Å; L669-L673 HydrophobicContact CD1-CG 4.17Å; L669-L673 HydrophobicContact CG-CD1 4.03Å; L669-L673 HydrophobicContact CG-CG 4.42Å; L669-L673 WeakPolarHBondContact O-CB 3.17Å; L669-L673 WeakPolarHBondContact O-CG 3.35Å; L669-L673 PolarHBondContact O-N 3.42Å
670	C	71.8	Confident	71.5	Confident	83 Å²	83	37.7 Å²	37.7	56%	0.561	20%	0.201	S	C	*	.	H	α-helix	trans	-69	-43	178.5	-66.8	0	0	0	0	110.9	D668 L673 Q674	D668-C670 VanDerWaalsContact C-N 3.26Å; D668-C670 PolarHBondContact O-N 3.4Å; D668-C670 VanDerWaalsContact OD1-CA 3.25Å; D668-C670 WeakPolarHBondContact OD1-CA 3.3Å; D668-C670 VanDerWaalsContact OD1-CB 3.22Å; D668-C670 WeakPolarHBondContact OD1-CB 3.43Å; D668-C670 PolarHBondContact OD1-N 3.25Å; C670-L673 PolarHBondContact O-N 2.98Å; C670-Q674 WeakPolarHBondContact O-CB 3.23Å; C670-Q674 VanDerWaalsContact O-CG 3.29Å; C670-Q674 WeakPolarHBondContact O-CG 3.42Å; C670-Q674 PolarHBondContact O-N 3.23Å
671	E	72.5	Confident	70.9	Confident	8 Å²	8	39.6 Å²	39.6	4%	0.037	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-47.2	174.8	-68.5	177.1	144	0	0	110.9	L661 N662 I667 D668 L673 Q674 V675	L661-E671 HydrophobicContact CB-CG 4.19Å; L661-E671 HydrophobicContact CD1-CG 4.5Å; L661-E671 HydrophobicContact CG-CG 4.32Å; L661-E671 PolarHBondContact N-OE1 2.81Å; N662-E671 WeakPolarHBondContact CB-OE1 3.47Å; N662-E671 PolarHBondContact N-OE1 3.38Å; N662-E671 PolarHBondContact ND2-OE1 3.05Å; I667-E671 WeakPolarHBondContact CA-OE2 3.48Å; I667-E671 HydrophobicContact CG2-CB 4.14Å; D668-E671 PolarHBondContact N-OE2 3.24Å; D668-E671 PolarHBondContact O-N 3.1Å; D668-E671 PolarHBondContact OD1-N 3.12Å; E671-L673 VanDerWaalsContact C-N 3.32Å; E671-L673 PolarHBondContact O-N 3.35Å; E671-Q674 PolarHBondContact O-N 3.34Å; E671-V675 WeakPolarHBondContact O-CG2 3.11Å; E671-V675 PolarHBondContact O-N 3.46Å
672	F	77.2	Confident	70.5	Confident	1 Å²	1	41.2 Å²	41.2	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-56.8	-46	176.1	-170.2	-88.6	0	0	0	112.1	A616 C619 F620 I631 I667 D668 Y676 F689 L693 M697	A616-F672 HydrophobicContact CB-CE1 4.18Å; A616-F672 VanDerWaalsContact O-CE1 3.23Å; A616-F672 WeakPolarHBondContact O-CE1 3.29Å; C619-F672 HydrophobicContact CB-CE1 4.26Å; C619-F672 HydrophobicContact CB-CZ 4.01Å; F620-F672 HydrophobicContact CB-CD1 4.11Å; F620-F672 HydrophobicContact CB-CE1 4.19Å; F620-F672 HydrophobicContact CB-CG 4.36Å; F620-F672 HydrophobicContact CB-CZ 4.48Å; F620-F672 HydrophobicContact CD2-CB 3.58Å; F620-F672 HydrophobicContact CD2-CD1 4.15Å; F620-F672 AromaticContact CD2-CD2 3.77Å; F620-F672 HydrophobicContact CD2-CD2 3.77Å; F620-F672 HydrophobicContact CD2-CE2 4.44Å; F620-F672 AromaticContact CD2-CG 3.59Å; F620-F672 HydrophobicContact CD2-CG 3.59Å; F620-F672 HydrophobicContact CE2-CB 4Å; F620-F672 HydrophobicContact CE2-CG 4.41Å; F620-F672 HydrophobicContact CG-CG 4.46Å; I631-F672 HydrophobicContact CD1-CD2 3.84Å; I631-F672 HydrophobicContact CD1-CE2 3.98Å; I667-F672 HydrophobicContact CG2-CB 4.03Å; I667-F672 HydrophobicContact CG2-CD2 4.39Å; D668-F672 WeakPolarHBondContact O-CB 3.5Å; D668-F672 PolarHBondContact O-N 2.95Å; F672-Y676 WeakPolarHBondContact O-CB 3.14Å; F672-Y676 PolarHBondContact O-N 3.49Å; F672-F689 AromaticContact CD2-CE1 3.7Å; F672-F689 HydrophobicContact CD2-CE1 3.7Å; F672-F689 HydrophobicContact CD2-CZ 4.07Å; F672-F689 AromaticContact CE2-CE1 3.51Å; F672-F689 HydrophobicContact CE2-CE1 3.51Å; F672-F689 AromaticContact CE2-CZ 3.92Å; F672-F689 HydrophobicContact CE2-CZ 3.92Å; F672-L693 HydrophobicContact CE2-CD1 3.42Å; F672-L693 VanDerWaalsContact CE2-CD1 3.42Å; F672-L693 HydrophobicContact CZ-CD1 3.69Å; F672-M697 HydrophobicContact CD1-CE 4.26Å; F672-M697 HydrophobicContact CE1-CE 3.59Å; F672-M697 HydrophobicContact CE2-CE 4.32Å; F672-M697 HydrophobicContact CZ-CE 3.63Å
673	L	74.1	Confident	69.9	Low	23 Å²	23	44.8 Å²	44.8	12%	0.12	25%	0.252	C	S	.	.	H	α-helix	trans	-67.8	-38.5	177.5	-72.4	172.8	0	0	0	112.6	L608 R613 A616 L669 C670 E671 Y676 S677	L608-L673 HydrophobicContact CD1-CD2 3.98Å; R613-L673 HydrophobicContact CG-CD2 4.2Å; A616-L673 HydrophobicContact CB-CD2 3.6Å; L669-L673 HydrophobicContact CD1-CD1 4.21Å; L669-L673 HydrophobicContact CD1-CG 4.17Å; L669-L673 HydrophobicContact CG-CD1 4.03Å; L669-L673 HydrophobicContact CG-CG 4.42Å; L669-L673 WeakPolarHBondContact O-CB 3.17Å; L669-L673 WeakPolarHBondContact O-CG 3.35Å; L669-L673 PolarHBondContact O-N 3.42Å; C670-L673 PolarHBondContact O-N 2.98Å; E671-L673 VanDerWaalsContact C-N 3.32Å; E671-L673 PolarHBondContact O-N 3.35Å; L673-Y676 PolarHBondContact O-N 2.79Å; L673-S677 VanDerWaalsContact O-CB 3.31Å; L673-S677 WeakPolarHBondContact O-CB 3.5Å; L673-S677 PolarHBondContact O-N 3.15Å
674	Q	70.7	Confident	69.3	Low	53 Å²	53	39.4 Å²	39.4	25%	0.248	23%	0.229	C	C	.	.	H	α-helix	trans	-65	-43.9	176.3	-80.9	179.4	3	0	0	111.3	C670 E671 S677 G678	C670-Q674 WeakPolarHBondContact O-CB 3.23Å; C670-Q674 VanDerWaalsContact O-CG 3.29Å; C670-Q674 WeakPolarHBondContact O-CG 3.42Å; C670-Q674 PolarHBondContact O-N 3.23Å; E671-Q674 PolarHBondContact O-N 3.34Å; Q674-S677 PolarHBondContact O-N 2.81Å; Q674-G678 PolarHBondContact O-N 2.95Å
675	V	69.7	Low	68.5	Low	1 Å²	1	38.2 Å²	38.2	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-46.6	175.3	171.7	0	0	0	0	110.5	Y601 V659 E671 S677 G678 L679 N687	Y601-V675 HydrophobicContact CD1-CG2 4.07Å; Y601-V675 HydrophobicContact CE1-CB 4.04Å; Y601-V675 HydrophobicContact CE1-CG1 4.19Å; Y601-V675 HydrophobicContact CE1-CG2 3.67Å; Y601-V675 HydrophobicContact CE2-CG2 4.32Å; V659-V675 HydrophobicContact CB-CG2 4.41Å; V659-V675 HydrophobicContact CG1-CB 4.29Å; V659-V675 HydrophobicContact CG1-CG2 3.78Å; V659-V675 HydrophobicContact CG2-CG1 4.37Å; V659-V675 HydrophobicContact CG2-CG2 4.49Å; E671-V675 WeakPolarHBondContact O-CG2 3.11Å; E671-V675 PolarHBondContact O-N 3.46Å; V675-S677 PolarHBondContact O-N 3.06Å; V675-G678 PolarHBondContact O-N 3.46Å; V675-L679 HydrophobicContact CG1-CD1 3.65Å; V675-L679 HydrophobicContact CG1-CG 4.41Å; V675-L679 WeakPolarHBondContact O-CB 3.48Å; V675-L679 VanDerWaalsContact O-CD1 3.31Å; V675-L679 WeakPolarHBondContact O-CD1 3.36Å; V675-L679 VanDerWaalsContact O-CG 3.26Å; V675-L679 WeakPolarHBondContact O-CG 3.45Å; V675-L679 PolarHBondContact O-N 3.05Å; V675-N687 WeakPolarHBondContact CG1-ND2 3.48Å
676	Y	71.7	Confident	67.9	Low	4 Å²	4	42.7 Å²	42.7	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-58.9	-47.3	177.1	-173.6	-133	0	0	0	112.7	L608 E612 A616 F672 L673 L679 K680 M697 V699	L608-Y676 HydrophobicContact CD1-CD1 3.71Å; L608-Y676 HydrophobicContact CD1-CE1 4.36Å; L608-Y676 HydrophobicContact CD2-CD1 3.51Å; L608-Y676 HydrophobicContact CD2-CE1 3.59Å; L608-Y676 HydrophobicContact CD2-CG 4.42Å; L608-Y676 HydrophobicContact CG-CD1 4.27Å; E612-Y676 HydrophobicContact CB-CE1 4.25Å; A616-Y676 HydrophobicContact CB-CD1 3.64Å; A616-Y676 HydrophobicContact CB-CE1 3.92Å; A616-Y676 HydrophobicContact CB-CG 4.39Å; F672-Y676 WeakPolarHBondContact O-CB 3.14Å; F672-Y676 PolarHBondContact O-N 3.49Å; L673-Y676 PolarHBondContact O-N 2.79Å; Y676-L679 PolarHBondContact O-N 3.41Å; Y676-K680 WeakPolarHBondContact O-CB 3.45Å; Y676-K680 PolarHBondContact O-N 3.22Å; Y676-M697 VanDerWaalsContact CB-CE 3.5Å; Y676-M697 HydrophobicContact CD2-CB 3.92Å; Y676-M697 HydrophobicContact CD2-CE 3.42Å; Y676-M697 VanDerWaalsContact CD2-CE 3.42Å; Y676-M697 HydrophobicContact CD2-CG 3.62Å; Y676-M697 HydrophobicContact CD2-SD 3.54Å; Y676-M697 VanDerWaalsContact CD2-SD 3.54Å; Y676-M697 HydrophobicContact CE2-CB 3.49Å; Y676-M697 VanDerWaalsContact CE2-CB 3.49Å; Y676-M697 HydrophobicContact CE2-CE 4.34Å; Y676-M697 HydrophobicContact CE2-CG 3.62Å; Y676-M697 HydrophobicContact CE2-SD 4.13Å; Y676-M697 HydrophobicContact CG-CE 3.63Å; Y676-M697 HydrophobicContact CG-SD 4.36Å; Y676-V699 HydrophobicContact CE2-CG2 4.44Å
677	S	70.2	Confident	67	Low	5 Å²	5	39.3 Å²	39.3	4%	0.035	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-43	178.8	-164	0	0	0	0	111.9	P605 L606 L673 Q674 V675 L679 K680 G681	P605-S677 PolarHBondContact O-OG 2.82Å; L606-S677 WeakPolarHBondContact CA-OG 3.1Å; L673-S677 VanDerWaalsContact O-CB 3.31Å; L673-S677 WeakPolarHBondContact O-CB 3.5Å; L673-S677 PolarHBondContact O-N 3.15Å; Q674-S677 PolarHBondContact O-N 2.81Å; V675-S677 PolarHBondContact O-N 3.06Å; S677-L679 PolarHBondContact O-N 3.09Å; S677-K680 PolarHBondContact O-N 2.86Å; S677-G681 PolarHBondContact O-N 2.89Å
678	G	65.1	Low	66.3	Low	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.4	-41.8	178.8	0	0	0	0	0	113	Q674 V675 G682 W683 V684	Q674-G678 PolarHBondContact O-N 2.95Å; V675-G678 PolarHBondContact O-N 3.46Å; G678-G682 PolarHBondContact O-N 2.85Å; G678-W683 PolarHBondContact O-N 2.87Å; G678-V684 PolarHBondContact O-N 2.88Å; G678-V684 VanDerWaalsContact O-N 3.14Å
679	L	66.4	Low	65.6	Low	15 Å²	15	38.4 Å²	38.4	8%	0.079	22%	0.221	C	C	.	.	H	α-helix	trans	-67.3	-45.5	176.8	-72.6	160.3	0	0	0	112.4	V675 Y676 S677 G682 N687 A690 V699	V675-L679 HydrophobicContact CG1-CD1 3.65Å; V675-L679 HydrophobicContact CG1-CG 4.41Å; V675-L679 WeakPolarHBondContact O-CB 3.48Å; V675-L679 VanDerWaalsContact O-CD1 3.31Å; V675-L679 WeakPolarHBondContact O-CD1 3.36Å; V675-L679 VanDerWaalsContact O-CG 3.26Å; V675-L679 WeakPolarHBondContact O-CG 3.45Å; V675-L679 PolarHBondContact O-N 3.05Å; Y676-L679 PolarHBondContact O-N 3.41Å; S677-L679 PolarHBondContact O-N 3.09Å; L679-G682 PolarHBondContact O-N 2.95Å; L679-N687 HydrophobicContact CD1-CB 4Å; L679-N687 HydrophobicContact CD2-CB 3.72Å; L679-N687 HydrophobicContact CG-CB 4.32Å; L679-A690 HydrophobicContact CD1-CB 3.25Å; L679-A690 HydrophobicContact CD2-CB 4.39Å; L679-A690 HydrophobicContact CG-CB 4.41Å; L679-V699 HydrophobicContact CB-CG1 4.12Å
680	K	67.1	Low	64.9	Low	58 Å²	58	36.1 Å²	36.1	25%	0.252	21%	0.21	S	C	.	.	H	α-helix	trans	-67.5	-39.3	-179.9	-172.2	-176.5	169.4	-163.8	0	111.9	E612 Y676 S677 G682	E612-K680 IonicContact OE1-NZ 2.76Å; E612-K680 PolarHBondContact OE1-NZ 3.27Å; E612-K680 IonicContact OE2-NZ 3.88Å; E612-K680 PolarHBondContact OE2-NZ 2.9Å; Y676-K680 WeakPolarHBondContact O-CB 3.45Å; Y676-K680 PolarHBondContact O-N 3.22Å; S677-K680 PolarHBondContact O-N 2.86Å; K680-G682 PolarHBondContact O-N 3.02Å
681	G	60.4	Low	64.5	Low	47 Å²	47	38.8 Å²	38.8	49%	0.485	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-5.4	177	0	0	0	0	0	114.3	S677 W683	S677-G681 PolarHBondContact O-N 2.89Å; G681-W683 PolarHBondContact O-N 3.25Å
682	G	57.5	Low	64	Low	53 Å²	53	40.7 Å²	40.7	55%	0.546	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	11.8	-176.3	0	0	0	0	0	114.1	G678 L679 K680 V684	G678-G682 PolarHBondContact O-N 2.85Å; L679-G682 PolarHBondContact O-N 2.95Å; K680-G682 PolarHBondContact O-N 3.02Å; G682-V684 VanDerWaalsContact C-N 3.31Å
683	W	53	Low	63.2	Low	153 Å²	153	40.8 Å²	40.8	58%	0.58	22%	0.221	S	C	*	.	S	Bend	trans	-74.1	-28.1	177.3	-60.2	96.6	0	0	0	111.8	A604 P605 G678 G681	A604-W683 HydrophobicContact CB-CB 4.38Å; A604-W683 HydrophobicContact CB-CG 4.3Å; P605-W683 HydrophobicContact CG-CZ2 4.41Å; G678-W683 PolarHBondContact O-N 2.87Å; G681-W683 PolarHBondContact O-N 3.25Å
684	V	55.8	Low	62.3	Low	10 Å²	10	42 Å²	42	6%	0.061	23%	0.232	C	C	.	.	S	Bend	trans	-122.7	119.6	174.3	-174.7	0	0	0	0	108.7	Y601 G678 G682	Y601-V684 HydrophobicContact CD1-CG2 3.68Å; Y601-V684 HydrophobicContact CE1-CB 3.9Å; Y601-V684 HydrophobicContact CE1-CG1 3.92Å; Y601-V684 HydrophobicContact CE1-CG2 3.42Å; Y601-V684 VanDerWaalsContact CE1-CG2 3.42Å; Y601-V684 HydrophobicContact CG-CG2 4.34Å; G678-V684 PolarHBondContact O-N 2.88Å; G678-V684 VanDerWaalsContact O-N 3.14Å; G682-V684 VanDerWaalsContact C-N 3.31Å
685	C	54	Low	61.7	Low	70 Å²	70	47.1 Å²	47.1	47%	0.473	26%	0.255	S	S	.	.			trans	-85	137.5	173	-61.1	0	0	0	0	109.4	E361	E361-C685 HydrophobicContact CG-CB 4.03Å
686	Q	56.5	Low	60.9	Low	126 Å²	126	49.4 Å²	49.4	59%	0.589	27%	0.266	S	S	*	.			trans	50.5	97.3	169.2	-61.6	-175.1	-3.1	0	0	115.5
687	N	60.6	Low	60.1	Low	7 Å²	7	49.3 Å²	49.3	4%	0.037	27%	0.266	C	S	.	.			trans	-113.2	115	162.5	-168.7	-33.8	0	0	0	108.8	Y601 E658 V675 L679 F689 A690 H691	Y601-N687 PolarHBondContact OH-ND2 3.46Å; Y601-N687 VanDerWaalsContact OH-ND2 3.12Å; E658-N687 PolarHBondContact O-ND2 3.44Å; V675-N687 WeakPolarHBondContact CG1-ND2 3.48Å; L679-N687 HydrophobicContact CD1-CB 4Å; L679-N687 HydrophobicContact CD2-CB 3.72Å; L679-N687 HydrophobicContact CG-CB 4.32Å; N687-F689 PolarHBondContact O-N 2.96Å; N687-F689 VanDerWaalsContact O-N 3.17Å; N687-F689 WeakPolarHBondContact OD1-CB 3.18Å; N687-F689 PolarHBondContact OD1-N 3.37Å; N687-A690 HydrophobicContact CB-CB 4.27Å; N687-A690 WeakPolarHBondContact O-CA 3.47Å; N687-A690 WeakPolarHBondContact O-CB 3.47Å; N687-A690 PolarHBondContact O-N 3.15Å; N687-H691 PolarHBondContact O-N 3.04Å
688	P	63.1	Low	59.4	Low	29 Å²	29	55.5 Å²	55.5	19%	0.188	30%	0.299	C	S	.	.	H	α-helix	trans	-48.3	-36.5	173.4	-30.5	33.5	0	0	0	113.7	R654 L655 E658 A690 H691 Y692	R654-P688 VanDerWaalsContact NH1-CG 3.32Å; L655-P688 HydrophobicContact CD2-CB 3.83Å; E658-P688 WeakPolarHBondContact OE1-CG 3.39Å; E658-P688 WeakPolarHBondContact OE2-CB 3.42Å; E658-P688 WeakPolarHBondContact OE2-CD 3.46Å; E658-P688 WeakPolarHBondContact OE2-CG 3.04Å; P688-A690 VanDerWaalsContact C-N 3.27Å; P688-A690 PolarHBondContact O-N 3.39Å; P688-H691 VanDerWaalsContact O-CB 3.28Å; P688-H691 WeakPolarHBondContact O-CB 3.47Å; P688-H691 PolarHBondContact O-N 3.34Å; P688-Y692 WeakPolarHBondContact O-CD2 3.45Å; P688-Y692 PolarHBondContact O-N 3.49Å
689	F	65.1	Low	58.7	Low	4 Å²	4	57.5 Å²	57.5	2%	0.018	31%	0.31	C	S	.	.	H	α-helix	trans	-55.6	-41.3	173	-168.2	-101.4	0	0	0	113.3	I631 L636 L655 V659 I667 F672 N687 H691 Y692 L693	I631-F689 HydrophobicContact CD1-CZ 4.49Å; L636-F689 HydrophobicContact CD1-CE2 4.28Å; L636-F689 HydrophobicContact CD2-CE2 3.67Å; L636-F689 HydrophobicContact CD2-CZ 4.39Å; L655-F689 HydrophobicContact CB-CD2 4.23Å; L655-F689 HydrophobicContact CD2-CB 4.19Å; L655-F689 VanDerWaalsContact CD2-N 3.35Å; V659-F689 HydrophobicContact CB-CG 4.47Å; V659-F689 HydrophobicContact CG1-CD1 4.39Å; V659-F689 HydrophobicContact CG1-CE1 4.24Å; V659-F689 HydrophobicContact CG2-CB 3.4Å; V659-F689 VanDerWaalsContact CG2-CB 3.4Å; V659-F689 HydrophobicContact CG2-CD1 3.61Å; V659-F689 HydrophobicContact CG2-CD2 3.82Å; V659-F689 HydrophobicContact CG2-CE1 4.19Å; V659-F689 HydrophobicContact CG2-CE2 4.41Å; V659-F689 HydrophobicContact CG2-CG 3.38Å; I667-F689 HydrophobicContact CD1-CD2 4.27Å; I667-F689 HydrophobicContact CD1-CE1 4.49Å; I667-F689 HydrophobicContact CD1-CE2 3.47Å; I667-F689 VanDerWaalsContact CD1-CE2 3.47Å; I667-F689 HydrophobicContact CD1-CZ 3.61Å; F672-F689 AromaticContact CD2-CE1 3.7Å; F672-F689 HydrophobicContact CD2-CE1 3.7Å; F672-F689 HydrophobicContact CD2-CZ 4.07Å; F672-F689 AromaticContact CE2-CE1 3.51Å; F672-F689 HydrophobicContact CE2-CE1 3.51Å; F672-F689 AromaticContact CE2-CZ 3.92Å; F672-F689 HydrophobicContact CE2-CZ 3.92Å; N687-F689 PolarHBondContact O-N 2.96Å; N687-F689 VanDerWaalsContact O-N 3.17Å; N687-F689 WeakPolarHBondContact OD1-CB 3.18Å; N687-F689 PolarHBondContact OD1-N 3.37Å; F689-H691 VanDerWaalsContact C-N 3.32Å; F689-H691 PolarHBondContact O-N 2.9Å; F689-Y692 PolarHBondContact O-N 3.1Å; F689-L693 HydrophobicContact CD1-CD1 3.57Å; F689-L693 HydrophobicContact CD1-CG 4.4Å; F689-L693 HydrophobicContact CE1-CD1 3.13Å; F689-L693 HydrophobicContact CE1-CG 4.29Å; F689-L693 HydrophobicContact CE2-CD1 4.44Å; F689-L693 HydrophobicContact CG-CD1 4.41Å; F689-L693 HydrophobicContact CZ-CD1 3.61Å; F689-L693 PolarHBondContact O-N 2.88Å; F689-L693 VanDerWaalsContact O-N 3.07Å
690	A	61.1	Low	57.7	Low	8 Å²	8	62.1 Å²	62.1	7%	0.066	34%	0.335	C	S	.	.	H	α-helix	trans	-74.1	-23.2	177.2	0	0	0	0	0	113.5	L679 N687 P688 Y692 S694 M697	L679-A690 HydrophobicContact CD1-CB 3.25Å; L679-A690 HydrophobicContact CD2-CB 4.39Å; L679-A690 HydrophobicContact CG-CB 4.41Å; N687-A690 HydrophobicContact CB-CB 4.27Å; N687-A690 WeakPolarHBondContact O-CA 3.47Å; N687-A690 WeakPolarHBondContact O-CB 3.47Å; N687-A690 PolarHBondContact O-N 3.15Å; P688-A690 VanDerWaalsContact C-N 3.27Å; P688-A690 PolarHBondContact O-N 3.39Å; A690-Y692 VanDerWaalsContact C-N 3.34Å; A690-S694 VanDerWaalsContact O-CA 3.32Å; A690-S694 WeakPolarHBondContact O-CA 3.4Å; A690-S694 VanDerWaalsContact O-CB 3.27Å; A690-S694 WeakPolarHBondContact O-CB 3.14Å; A690-S694 PolarHBondContact O-N 3.36Å; A690-M697 HydrophobicContact CB-SD 4.38Å
691	H	62.8	Low	56.5	Low	140 Å²	140	63 Å²	63	65%	0.648	35%	0.345	S	S	*	.	H	α-helix	trans	-63.5	-44.7	171.2	-172.3	47.1	0	0	0	110.5	N687 P688 F689 S694	N687-H691 PolarHBondContact O-N 3.04Å; P688-H691 VanDerWaalsContact O-CB 3.28Å; P688-H691 WeakPolarHBondContact O-CB 3.47Å; P688-H691 PolarHBondContact O-N 3.34Å; F689-H691 VanDerWaalsContact C-N 3.32Å; F689-H691 PolarHBondContact O-N 2.9Å; H691-S694 WeakPolarHBondContact O-CB 3.49Å; H691-S694 PolarHBondContact O-N 2.9Å; H691-S694 PolarHBondContact O-OG 3.29Å
692	Y	61.4	Low	55.7	Low	48 Å²	48	65.8 Å²	65.8	19%	0.188	35%	0.354	C	S	.	.	H	α-helix	trans	-72.2	-30.1	178.9	-70.6	-68.2	0	0	0	113.9	F640 I647 E651 L655 P688 F689 A690	F640-Y692 HydrophobicContact CD1-CD1 4.37Å; F640-Y692 AromaticContact CE1-CD1 3.42Å; F640-Y692 HydrophobicContact CE1-CD1 3.42Å; F640-Y692 VanDerWaalsContact CE1-CD1 3.42Å; F640-Y692 HydrophobicContact CE1-CE1 4.21Å; F640-Y692 AromaticContact CE1-CG 3.61Å; F640-Y692 HydrophobicContact CE1-CG 3.61Å; F640-Y692 AromaticContact CZ-CD1 3.89Å; F640-Y692 HydrophobicContact CZ-CD1 3.89Å; F640-Y692 HydrophobicContact CZ-CD2 4.15Å; F640-Y692 AromaticContact CZ-CG 3.61Å; F640-Y692 HydrophobicContact CZ-CG 3.61Å; I647-Y692 HydrophobicContact CD1-CD1 3.9Å; I647-Y692 HydrophobicContact CD1-CE1 3.44Å; I647-Y692 VanDerWaalsContact CD1-CE1 3.44Å; I647-Y692 HydrophobicContact CD1-CE2 4.16Å; I647-Y692 HydrophobicContact CD1-CG 4.43Å; I647-Y692 HydrophobicContact CG1-CE1 4.4Å; E651-Y692 PolarHBondContact OE1-OH 2.89Å; L655-Y692 HydrophobicContact CD1-CD2 3.77Å; L655-Y692 HydrophobicContact CD1-CE2 3.84Å; L655-Y692 HydrophobicContact CD2-CD2 3.52Å; L655-Y692 HydrophobicContact CD2-CE2 3.73Å; L655-Y692 HydrophobicContact CG-CD2 4.29Å; L655-Y692 HydrophobicContact CG-CE2 4.29Å; P688-Y692 WeakPolarHBondContact O-CD2 3.45Å; P688-Y692 PolarHBondContact O-N 3.49Å; F689-Y692 PolarHBondContact O-N 3.1Å; A690-Y692 VanDerWaalsContact C-N 3.34Å
693	L	60.8	Low	54.9	Low	2 Å²	2	71.6 Å²	71.6	1%	0.01	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	3.5	176	-61.1	-178.5	0	0	0	114	V623 Y639 F672 F689 H695 E696 M697	V623-L693 HydrophobicContact CG2-CD2 3.94Å; Y639-L693 HydrophobicContact CE1-CD2 3.78Å; Y639-L693 WeakPolarHBondContact OH-CD2 3.44Å; F672-L693 HydrophobicContact CE2-CD1 3.42Å; F672-L693 VanDerWaalsContact CE2-CD1 3.42Å; F672-L693 HydrophobicContact CZ-CD1 3.69Å; F689-L693 HydrophobicContact CD1-CD1 3.57Å; F689-L693 HydrophobicContact CD1-CG 4.4Å; F689-L693 HydrophobicContact CE1-CD1 3.13Å; F689-L693 HydrophobicContact CE1-CG 4.29Å; F689-L693 HydrophobicContact CE2-CD1 4.44Å; F689-L693 HydrophobicContact CG-CD1 4.41Å; F689-L693 HydrophobicContact CZ-CD1 3.61Å; F689-L693 PolarHBondContact O-N 2.88Å; F689-L693 VanDerWaalsContact O-N 3.07Å; L693-H695 PolarHBondContact O-N 3.07Å; L693-H695 VanDerWaalsContact O-N 3.1Å; L693-E696 PolarHBondContact O-N 3.44Å; L693-M697 HydrophobicContact CB-CG 4.18Å; L693-M697 HydrophobicContact CB-SD 4.04Å; L693-M697 WeakPolarHBondContact O-CB 3.02Å; L693-M697 PolarHBondContact O-N 2.98Å
694	S	55.9	Low	54	Low	49 Å²	49	74.4 Å²	74.4	34%	0.343	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-25.9	-174.6	60.6	0	0	0	0	114.2	A690 H691 E696	A690-S694 VanDerWaalsContact O-CA 3.32Å; A690-S694 WeakPolarHBondContact O-CA 3.4Å; A690-S694 VanDerWaalsContact O-CB 3.27Å; A690-S694 WeakPolarHBondContact O-CB 3.14Å; A690-S694 PolarHBondContact O-N 3.36Å; H691-S694 WeakPolarHBondContact O-CB 3.49Å; H691-S694 PolarHBondContact O-N 2.9Å; H691-S694 PolarHBondContact O-OG 3.29Å; S694-E696 PolarHBondContact O-N 3.31Å
695	H	57.1	Low	53.1	Low	161 Å²	161	79 Å²	79	75%	0.745	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.6	175.4	-75.2	-59.2	0	0	0	113.4	L693	L693-H695 PolarHBondContact O-N 3.07Å; L693-H695 VanDerWaalsContact O-N 3.1Å
696	E	54	Low	51.8	Low	48 Å²	48	78.9 Å²	78.9	22%	0.224	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-29.4	179.1	-72.3	171.9	-136.8	0	0	112.4	C619 R643 L693 S694	C619-E696 WeakPolarHBondContact CA-OE2 3.15Å; C619-E696 HydrophobicContact CB-CB 4.18Å; C619-E696 WeakPolarHBondContact CB-OE2 3.25Å; C619-E696 PolarHBondContact SG-OE2 2.63Å; R643-E696 IonicContact CZ-OE1 3.33Å; R643-E696 IonicContact NH2-OE1 2.78Å; R643-E696 PolarHBondContact NH2-OE1 2.99Å; L693-E696 PolarHBondContact O-N 3.44Å; S694-E696 PolarHBondContact O-N 3.31Å
697	M	54.3	Low	50.3	Low	3 Å²	3	77.1 Å²	77.1	2%	0.015	44%	0.436	C	S	.	.	S	Bend	trans	-87.3	108.9	173.8	-70.2	-169	151.1	0	0	109.6	F672 Y676 A690 L693 V699	F672-M697 HydrophobicContact CD1-CE 4.26Å; F672-M697 HydrophobicContact CE1-CE 3.59Å; F672-M697 HydrophobicContact CE2-CE 4.32Å; F672-M697 HydrophobicContact CZ-CE 3.63Å; Y676-M697 VanDerWaalsContact CB-CE 3.5Å; Y676-M697 HydrophobicContact CD2-CB 3.92Å; Y676-M697 HydrophobicContact CD2-CE 3.42Å; Y676-M697 VanDerWaalsContact CD2-CE 3.42Å; Y676-M697 HydrophobicContact CD2-CG 3.62Å; Y676-M697 HydrophobicContact CD2-SD 3.54Å; Y676-M697 VanDerWaalsContact CD2-SD 3.54Å; Y676-M697 HydrophobicContact CE2-CB 3.49Å; Y676-M697 VanDerWaalsContact CE2-CB 3.49Å; Y676-M697 HydrophobicContact CE2-CE 4.34Å; Y676-M697 HydrophobicContact CE2-CG 3.62Å; Y676-M697 HydrophobicContact CE2-SD 4.13Å; Y676-M697 HydrophobicContact CG-CE 3.63Å; Y676-M697 HydrophobicContact CG-SD 4.36Å; A690-M697 HydrophobicContact CB-SD 4.38Å; L693-M697 HydrophobicContact CB-CG 4.18Å; L693-M697 HydrophobicContact CB-SD 4.04Å; L693-M697 WeakPolarHBondContact O-CB 3.02Å; L693-M697 PolarHBondContact O-N 2.98Å; M697-V699 HydrophobicContact CB-CG2 3.55Å; M697-V699 PolarHBondContact O-N 2.75Å; M697-V699 HydrophobicContact SD-CG2 4.5Å
698	N	55	Low	48.6	Very low	135 Å²	135	80.1 Å²	80.1	72%	0.722	47%	0.469	S	S	*	.			trans	-68.3	68.4	168.8	-87.3	-23.8	0	0	0	110.2
699	V	51.3	Low	47	Very low	41 Å²	41	89.5 Å²	89.5	25%	0.248	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-81.5	134.5	177	-165.1	0	0	0	0	108.4	Y676 L679 M697 T701	Y676-V699 HydrophobicContact CE2-CG2 4.44Å; L679-V699 HydrophobicContact CB-CG1 4.12Å; M697-V699 HydrophobicContact CB-CG2 3.55Å; M697-V699 PolarHBondContact O-N 2.75Å; M697-V699 HydrophobicContact SD-CG2 4.5Å; V699-T701 PolarHBondContact O-N 3.46Å
700	L	44.8	Very low	46.1	Very low	112 Å²	112	93.8 Å²	93.8	59%	0.586	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-63.1	121.4	170.5	-75	162.3	0	0	0	109
701	T	42.1	Very low	45.3	Very low	78 Å²	78	98.3 Å²	98.3	48%	0.479	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-66.3	136.7	170.1	52.5	0	0	0	0	109.3	V699 E703 R704	V699-T701 PolarHBondContact O-N 3.46Å; T701-E703 PolarHBondContact O-N 3.07Å; T701-R704 PolarHBondContact O-N 3.02Å; T701-R704 VanDerWaalsContact O-N 3.17Å
702	P	43.4	Very low	44.3	Very low	104 Å²	104	95.9 Å²	95.9	68%	0.675	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-62.6	-12.7	-178.8	20.5	-30.3	0	0	0	113.8	R704	P702-R704 PolarHBondContact O-N 3.22Å
703	E	41.2	Very low	43.3	Very low	176 Å²	176	98.8 Å²	98.8	82%	0.822	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-65.8	-14.6	175.3	-67.3	156.2	174.8	0	0	113.5	T701	T701-E703 PolarHBondContact O-N 3.07Å
704	R	33.5	Very low	42.2	Very low	211 Å²	211	104.8 Å²	104.8	80%	0.796	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-92.4	3.8	-175.3	-103.6	-173.3	172.3	-172.7	-1	116.8	T701 P702 G706	T701-R704 PolarHBondContact O-N 3.02Å; T701-R704 VanDerWaalsContact O-N 3.17Å; P702-R704 PolarHBondContact O-N 3.22Å; R704-G706 PolarHBondContact O-N 3.46Å
705	S	36.1	Very low	41.3	Very low	108 Å²	108	108.5 Å²	108.5	76%	0.755	65%	0.651	S	S	*	*			trans	-80.8	64.4	167.8	64.7	0	0	0	0	111.7	G707	S705-G707 PolarHBondContact O-N 3.2Å
706	G	28.5	Very low	40.2	Very low	67 Å²	67	104.8 Å²	104.8	69%	0.691	64%	0.644	S	S	*	*			trans	-60.8	125.2	155.3	0	0	0	0	0	108.1	R704 G708	R704-G706 PolarHBondContact O-N 3.46Å; G706-G708 PolarHBondContact O-N 2.7Å
707	G	23.3	Very low	39.1	Very low	88 Å²	88	109.2 Å²	109.2	91%	0.907	68%	0.676	S	S	*	*			trans	-41.1	126.5	-166.9	0	0	0	0	0	115.3	S705	S705-G707 PolarHBondContact O-N 3.2Å
708	G	25.7	Very low	37.9	Very low	70 Å²	70	118 Å²	118	72%	0.722	73%	0.731	S	S	*	*			trans	-125.4	109.2	174.2	0	0	0	0	0	110.5	G706	G706-G708 PolarHBondContact O-N 2.7Å
709	V	29.4	Very low	36.3	Very low	226 Å²	226	116.5 Å²	116.5	100%	1.37	73%	0.732	S	S	*	*			trans	62.3	0	161.6	-157.6	0	0	0	0	118.5

Retrieved 709 of 709 residues in 757.9 ms (Link to these results)

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