A0A3Q0KM70_SCHMA Loading...

beta-N-acetylhexosaminidase

AlphaFold DB , UniProt , Accession A0A3Q0KM70, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 800 aa.

						>A0A3Q0KM70_SCHMA|A0A3Q0KM70
MFVAINADFTCRTPDTFLLRRPFLCLNFIIFAQVLASVVCTNMTDTNDTDYDRINDVTKALPGHQSSTRFELSSNDIIFENTWRYRSFPGIKIPVLRSPYPTFGSPWPLPWSWSSSSCYYNVDMKRFHFEFHTISNEILQSAVNRYTYMIQNKLGFSVYPKVWQHNEKNLFSHFSDNYQSTCENSPVKRNHDFRGSSWEINPSSFRANRHYSSTTNNHSHDANLKTSNDISHNFISEQMSHLIRKYKLSEHSTRRRGIQKSALLHVINPDSKLPHVNMDESYILCVSGNGIFIIANETWGALRGLETLSQLMWTIKDQSHVFVNQTYIVDYPRFKHRGLMIDTSRHFISKSVILLNLEAMSYNKLNVLHWHIVDDQSFPYQSDVYPELSAKGAYREDLVYTSKDIKEIVEFARFRGIRVIPEFDIPGHTRSLSLSHPEIMSQCQYDSKNLAYYGPLNPASNKTYELLENLFNEVFQLFLDDYVHLGGDEVETICWERDPGIVQGVENYDQSSSIFWINYFWRCVQNIVTQIGKKNPQSKRNLILWEDVVEHVTDLNKSLFVQVWKSYSSFHLSKGFNIIYSICWYLDLLNDIKRWTDFYLCDPSDHAPLETERQILGGEACMWSEYQSDYTVLTKIWPVTSAVAERLWSAKEVNDLEFAGPRIEEQRCRLINRGIPAGVLLGPGYCDGTKQMTAWNINEIVLDEHKNIMKRMGSNNNNNNYIYEHKNDDYYRPINLWSNKDLLIGIFIGILLTLLLRHRNFLPFRKVKCNLSIIRTVLCLCIFIFVILIIFFNHIYPVFV
					

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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	30.1	Very low	36.6	Very low	180 Å²	180	124.6 Å²	124.6	89%	0.887	70%	0.695	S	S	*	*				0	-53	0	-139.4	169.2	174.1	0	0	111.5	V3 A4 I5	M1-V3 VanDerWaalsContact C-N 3.32Å; M1-V3 PolarHBondContact O-N 3.18Å; M1-A4 PolarHBondContact O-N 3Å; M1-I5 PolarHBondContact O-N 3.39Å
2	F	30.6	Very low	36.4	Very low	174 Å²	174	134.3 Å²	134.3	76%	0.763	71%	0.713	S	S	*	*	H	α-helix	trans	-57.7	-35	174.8	-93.3	-88.7	0	0	0	115.1	I5 N6	F2-I5 PolarHBondContact O-N 3.4Å; F2-N6 PolarHBondContact O-N 3.46Å
3	V	36.8	Very low	36.3	Very low	127 Å²	127	132.3 Å²	132.3	77%	0.77	71%	0.709	S	S	*	*	H	α-helix	trans	-71.5	-30.6	179.5	-178.2	0	0	0	0	112.9	M1 A7	M1-V3 VanDerWaalsContact C-N 3.32Å; M1-V3 PolarHBondContact O-N 3.18Å; V3-A7 PolarHBondContact O-N 3.22Å
4	A	40	Very low	36.7	Very low	73 Å²	73	130.6 Å²	130.6	60%	0.603	71%	0.709	S	S	*	*	H	α-helix	trans	-75.3	-30	176.2	0	0	0	0	0	112	M1	M1-A4 PolarHBondContact O-N 3Å
5	I	42.7	Very low	36.8	Very low	95 Å²	95	131.6 Å²	131.6	49%	0.487	71%	0.713	S	S	.	*	H	α-helix	trans	-71.9	-34	177.8	-64.9	169.9	0	0	0	110.9	M1 F2	M1-I5 PolarHBondContact O-N 3.39Å; F2-I5 PolarHBondContact O-N 3.4Å
6	N	39.5	Very low	37	Very low	123 Å²	123	129.8 Å²	129.8	66%	0.658	71%	0.708	S	S	*	*	H	α-helix	trans	-77.6	-24.7	179.3	-91.9	-1.6	0	0	0	114.4	F2	F2-N6 PolarHBondContact O-N 3.46Å
7	A	40.5	Very low	37.1	Very low	65 Å²	65	130.9 Å²	130.9	54%	0.537	71%	0.705	S	S	.	*	H	α-helix	trans	-75.8	-23.4	-179.5	0	0	0	0	0	113.4	V3	V3-A7 PolarHBondContact O-N 3.22Å
8	D	34.4	Very low	37.3	Very low	121 Å²	121	131.6 Å²	131.6	65%	0.647	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-84.5	-15.4	-177.3	-104	1.9	0	0	0	113.7	T10	D8-T10 VanDerWaalsContact C-N 3.29Å; D8-T10 PolarHBondContact O-N 2.94Å
9	F	37.3	Very low	37.6	Very low	179 Å²	179	132.3 Å²	132.3	79%	0.785	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-77.9	-7.5	-177	-102.2	-81.7	0	0	0	114.7
10	T	37.2	Very low	37.8	Very low	118 Å²	118	135.2 Å²	135.2	72%	0.724	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-111.1	4.2	-172.9	45.6	0	0	0	0	116.6	D8	D8-T10 VanDerWaalsContact C-N 3.29Å; D8-T10 PolarHBondContact O-N 2.94Å
11	C	33.3	Very low	38	Very low	116 Å²	116	137.7 Å²	137.7	78%	0.784	71%	0.71	S	S	*	*			trans	-111	110.8	-179.6	-80.9	0	0	0	0	113.8	T13	C11-T13 PolarHBondContact O-N 2.98Å
12	R	34.1	Very low	38.8	Very low	240 Å²	240	133.3 Å²	133.3	91%	0.906	70%	0.696	S	S	*	*			trans	-53.2	122.1	172.6	-63.8	170.7	175.5	176.9	-2.8	111.7
13	T	34.9	Very low	39.5	Very low	109 Å²	109	132.2 Å²	132.2	67%	0.669	69%	0.691	S	S	*	*			trans	166.6	118.1	132.4	34.4	0	0	0	0	108.9	C11 D15	C11-T13 PolarHBondContact O-N 2.98Å; T13-D15 VanDerWaalsContact C-N 3.32Å; T13-D15 PolarHBondContact O-N 3.36Å
14	P	42.7	Very low	40.2	Very low	108 Å²	108	131 Å²	131	70%	0.701	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-71.6	-14.6	-165.1	-17.9	31.7	0	0	0	116.3	T16	P14-T16 PolarHBondContact O-N 2.94Å
15	D	38.4	Very low	40.7	Very low	146 Å²	146	131.2 Å²	131.2	78%	0.781	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-87.6	-6.4	-161.2	-67.5	-27.3	0	0	0	115.8	T13	T13-D15 VanDerWaalsContact C-N 3.32Å; T13-D15 PolarHBondContact O-N 3.36Å
16	T	39.9	Very low	41.1	Very low	103 Å²	103	131.6 Å²	131.6	63%	0.632	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-100.2	-5.6	177.5	50	0	0	0	0	114.6	P14	P14-T16 PolarHBondContact O-N 2.94Å
17	F	39	Very low	42	Very low	148 Å²	148	130.3 Å²	130.3	65%	0.649	67%	0.671	S	S	*	*	S	Bend	trans	-78.1	-22.9	-175.7	-122.4	-89.9	0	0	0	114.2
18	L	40.5	Very low	42.9	Very low	144 Å²	144	133.7 Å²	133.7	75%	0.754	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-22.1	-174.5	-79.2	164.6	0	0	0	114.4
19	L	42.6	Very low	44.1	Very low	145 Å²	145	132.5 Å²	132.5	76%	0.759	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-10.1	-175.9	-80.7	159.5	0	0	0	114.8
20	R	42.6	Very low	45.2	Very low	190 Å²	190	128.2 Å²	128.2	72%	0.717	65%	0.651	S	S	*	*	S	Bend	trans	-97.4	-10.2	-176.5	-72.5	-170.9	175.8	-171.1	0.8	115.7	F23 L24	R20-F23 PolarHBondContact O-N 3.13Å; R20-L24 HydrophobicContact CB-CD1 4.49Å; R20-L24 PolarHBondContact O-N 3.21Å
21	R	40.3	Very low	46	Very low	187 Å²	187	129.4 Å²	129.4	71%	0.706	65%	0.646	S	S	*	*	H	α-helix	trans	-58.4	-40.5	-179.9	-86.6	-174.5	167.3	-174.8	-2.8	115	C25	R21-C25 PolarHBondContact O-N 3.32Å; R21-C25 PolarHBondContact O-SG 3.46Å
22	P	46.7	Very low	47.2	Very low	89 Å²	89	126.7 Å²	126.7	58%	0.578	63%	0.632	S	S	*	*	H	α-helix	trans	-66.8	-39.9	-179.8	-19.4	31.1	0	0	0	112.6	C25 L26	P22-C25 PolarHBondContact O-N 3.18Å; P22-L26 WeakPolarHBondContact O-CB 3.2Å; P22-L26 PolarHBondContact O-N 2.96Å
23	F	47	Very low	48	Very low	151 Å²	151	121.6 Å²	121.6	66%	0.662	62%	0.619	S	S	*	*	H	α-helix	trans	-71.5	-36.5	-178.4	-94.3	-84.3	0	0	0	112.9	R20 N27	R20-F23 PolarHBondContact O-N 3.13Å; F23-N27 WeakPolarHBondContact O-CB 3.26Å; F23-N27 PolarHBondContact O-N 2.88Å; F23-N27 VanDerWaalsContact O-N 3.11Å; F23-N27 PolarHBondContact O-ND2 3.24Å
24	L	49.8	Very low	49.2	Very low	102 Å²	102	120.1 Å²	120.1	53%	0.534	61%	0.61	S	S	.	*	H	α-helix	trans	-66.5	-43.5	174.4	-87.3	155.9	0	0	0	111.6	R20 N27 F28	R20-L24 HydrophobicContact CB-CD1 4.49Å; R20-L24 PolarHBondContact O-N 3.21Å; L24-N27 PolarHBondContact O-N 2.88Å; L24-F28 WeakPolarHBondContact O-CD2 3.36Å; L24-F28 PolarHBondContact O-N 2.74Å
25	C	51.5	Low	49.3	Very low	77 Å²	77	119.5 Å²	119.5	52%	0.52	60%	0.6	S	S	.	*	H	α-helix	trans	-65.5	-41.3	178.6	-65.8	0	0	0	0	112.2	R21 P22 F28 I29	R21-C25 PolarHBondContact O-N 3.32Å; R21-C25 PolarHBondContact O-SG 3.46Å; P22-C25 PolarHBondContact O-N 3.18Å; C25-F28 PolarHBondContact O-N 3.44Å; C25-I29 WeakPolarHBondContact O-CG1 3.12Å; C25-I29 PolarHBondContact O-N 2.91Å
26	L	51.5	Low	49.8	Very low	103 Å²	103	115.3 Å²	115.3	54%	0.539	59%	0.586	S	S	.	*	H	α-helix	trans	-65.5	-41.1	178.5	-158.7	79.8	0	0	0	111.7	P22 I29 I30	P22-L26 WeakPolarHBondContact O-CB 3.2Å; P22-L26 PolarHBondContact O-N 2.96Å; L26-I29 PolarHBondContact O-N 3.01Å; L26-I30 HydrophobicContact CG-CD1 4.31Å; L26-I30 WeakPolarHBondContact O-CG1 3.48Å; L26-I30 PolarHBondContact O-N 3.43Å; L26-I30 VanDerWaalsContact O-N 3.08Å
27	N	58.4	Low	50.2	Low	95 Å²	95	113.7 Å²	113.7	51%	0.508	58%	0.578	S	S	.	*	H	α-helix	trans	-63.5	-40.9	174.5	-82.6	-57.2	0	0	0	111.7	F23 L24 I29 I30 F31	F23-N27 WeakPolarHBondContact O-CB 3.26Å; F23-N27 PolarHBondContact O-N 2.88Å; F23-N27 VanDerWaalsContact O-N 3.11Å; F23-N27 PolarHBondContact O-ND2 3.24Å; L24-N27 PolarHBondContact O-N 2.88Å; N27-I29 VanDerWaalsContact C-N 3.34Å; N27-I29 PolarHBondContact O-N 3.5Å; N27-I30 PolarHBondContact O-N 2.9Å; N27-F31 VanDerWaalsContact O-CB 3.31Å; N27-F31 WeakPolarHBondContact O-CB 3.4Å; N27-F31 PolarHBondContact O-N 3.33Å
28	F	57.8	Low	50.8	Low	136 Å²	136	110.5 Å²	110.5	60%	0.596	57%	0.571	S	S	*	*	H	α-helix	trans	-60.7	-40.9	175.7	-102.3	-83.5	0	0	0	112.7	L24 C25 A32	L24-F28 WeakPolarHBondContact O-CD2 3.36Å; L24-F28 PolarHBondContact O-N 2.74Å; C25-F28 PolarHBondContact O-N 3.44Å; F28-A32 VanDerWaalsContact O-CB 3.23Å; F28-A32 WeakPolarHBondContact O-CB 3.39Å; F28-A32 PolarHBondContact O-N 2.97Å
29	I	60	Low	50.9	Low	97 Å²	97	107.3 Å²	107.3	50%	0.497	56%	0.557	S	S	.	*	H	α-helix	trans	-66.3	-44.8	178.6	-66.3	166.1	0	0	0	110.8	C25 L26 N27 A32 Q33	C25-I29 WeakPolarHBondContact O-CG1 3.12Å; C25-I29 PolarHBondContact O-N 2.91Å; L26-I29 PolarHBondContact O-N 3.01Å; N27-I29 VanDerWaalsContact C-N 3.34Å; N27-I29 PolarHBondContact O-N 3.5Å; I29-A32 PolarHBondContact O-N 3.25Å; I29-Q33 WeakPolarHBondContact O-CG 3.37Å; I29-Q33 PolarHBondContact O-N 3.5Å
30	I	60.9	Low	50.7	Low	88 Å²	88	105.2 Å²	105.2	45%	0.451	55%	0.554	S	S	.	*	H	α-helix	trans	-65.8	-43.3	178.8	-64.8	169.1	0	0	0	110.3	L26 N27 A32 Q33 V34	L26-I30 HydrophobicContact CG-CD1 4.31Å; L26-I30 WeakPolarHBondContact O-CG1 3.48Å; L26-I30 PolarHBondContact O-N 3.43Å; L26-I30 VanDerWaalsContact O-N 3.08Å; N27-I30 PolarHBondContact O-N 2.9Å; I30-A32 PolarHBondContact O-N 3.05Å; I30-Q33 PolarHBondContact O-N 3.19Å; I30-V34 WeakPolarHBondContact O-CG2 3.28Å; I30-V34 PolarHBondContact O-N 3.02Å
31	F	53.7	Low	50.6	Low	143 Å²	143	100.8 Å²	100.8	63%	0.627	55%	0.548	S	S	*	.	H	α-helix	trans	-66.2	-39.3	179.4	-133.2	-93.7	0	0	0	111.9	N27 V34 L35	N27-F31 VanDerWaalsContact O-CB 3.31Å; N27-F31 WeakPolarHBondContact O-CB 3.4Å; N27-F31 PolarHBondContact O-N 3.33Å; F31-V34 PolarHBondContact O-N 2.92Å; F31-L35 HydrophobicContact CD1-CD1 3.52Å; F31-L35 HydrophobicContact CE1-CD1 3.82Å; F31-L35 WeakPolarHBondContact O-CB 3.38Å; F31-L35 PolarHBondContact O-N 3.17Å
32	A	58.5	Low	50.4	Low	59 Å²	59	98.2 Å²	98.2	49%	0.488	55%	0.548	S	S	.	.	H	α-helix	trans	-64.3	-39.1	175.5	0	0	0	0	0	112	F28 I29 I30 A36	F28-A32 VanDerWaalsContact O-CB 3.23Å; F28-A32 WeakPolarHBondContact O-CB 3.39Å; F28-A32 PolarHBondContact O-N 2.97Å; I29-A32 PolarHBondContact O-N 3.25Å; I30-A32 PolarHBondContact O-N 3.05Å; A32-A36 WeakPolarHBondContact O-CB 3.36Å; A32-A36 PolarHBondContact O-N 3.42Å
33	Q	52.3	Low	49.6	Very low	133 Å²	133	101.8 Å²	101.8	62%	0.621	56%	0.559	S	S	*	*	H	α-helix	trans	-67.9	-38.5	176	-77.1	-177.1	-22.7	0	0	112.6	I29 I30 A36 S37	I29-Q33 WeakPolarHBondContact O-CG 3.37Å; I29-Q33 PolarHBondContact O-N 3.5Å; I30-Q33 PolarHBondContact O-N 3.19Å; Q33-A36 PolarHBondContact O-N 3.13Å; Q33-S37 PolarHBondContact O-N 3.42Å; Q33-S37 VanDerWaalsContact O-N 3.11Å; Q33-S37 PolarHBondContact O-OG 3.47Å
34	V	58.1	Low	48.9	Very low	79 Å²	79	99.8 Å²	99.8	48%	0.479	56%	0.559	S	S	.	*	H	α-helix	trans	-69.7	-39.8	175.9	174.6	0	0	0	0	111.3	I30 F31 S37 V38	I30-V34 WeakPolarHBondContact O-CG2 3.28Å; I30-V34 PolarHBondContact O-N 3.02Å; F31-V34 PolarHBondContact O-N 2.92Å; V34-S37 PolarHBondContact O-N 3.25Å; V34-S37 PolarHBondContact O-OG 3.45Å; V34-V38 HydrophobicContact CG1-CG2 4.25Å; V34-V38 WeakPolarHBondContact O-CB 3.32Å; V34-V38 VanDerWaalsContact O-CG2 3.28Å; V34-V38 WeakPolarHBondContact O-CG2 3.47Å; V34-V38 PolarHBondContact O-N 3.37Å
35	L	46.4	Very low	48	Very low	94 Å²	94	101.1 Å²	101.1	49%	0.492	57%	0.567	S	S	.	*	H	α-helix	trans	-64.5	-40.8	174.1	-106.1	120	0	0	0	111.8	F31 S37 V38 V39	F31-L35 HydrophobicContact CD1-CD1 3.52Å; F31-L35 HydrophobicContact CE1-CD1 3.82Å; F31-L35 WeakPolarHBondContact O-CB 3.38Å; F31-L35 PolarHBondContact O-N 3.17Å; L35-S37 VanDerWaalsContact C-N 3.3Å; L35-S37 PolarHBondContact O-N 3.33Å; L35-V38 PolarHBondContact O-N 2.75Å; L35-V39 HydrophobicContact CD2-CG2 4.4Å; L35-V39 VanDerWaalsContact O-CB 3.32Å; L35-V39 WeakPolarHBondContact O-CB 3.41Å; L35-V39 WeakPolarHBondContact O-CG2 3.48Å; L35-V39 PolarHBondContact O-N 3.35Å
36	A	48.7	Very low	47.3	Very low	59 Å²	59	103.6 Å²	103.6	49%	0.488	58%	0.58	S	S	.	*	H	α-helix	trans	-62	-39	176.8	0	0	0	0	0	112	A32 Q33 C40	A32-A36 WeakPolarHBondContact O-CB 3.36Å; A32-A36 PolarHBondContact O-N 3.42Å; Q33-A36 PolarHBondContact O-N 3.13Å; A36-C40 WeakPolarHBondContact O-CB 3.42Å; A36-C40 PolarHBondContact O-N 3.18Å; A36-C40 PolarHBondContact O-SG 2.79Å
37	S	48.3	Very low	46.3	Very low	68 Å²	68	104.5 Å²	104.5	48%	0.476	59%	0.585	S	S	.	*	H	α-helix	trans	-75.2	-35.3	178.8	59.7	0	0	0	0	113.5	Q33 V34 L35 T41	Q33-S37 PolarHBondContact O-N 3.42Å; Q33-S37 VanDerWaalsContact O-N 3.11Å; Q33-S37 PolarHBondContact O-OG 3.47Å; V34-S37 PolarHBondContact O-N 3.25Å; V34-S37 PolarHBondContact O-OG 3.45Å; L35-S37 VanDerWaalsContact C-N 3.3Å; L35-S37 PolarHBondContact O-N 3.33Å; S37-T41 PolarHBondContact O-N 3.22Å; S37-T41 PolarHBondContact O-OG1 3.37Å
38	V	50.9	Low	45.1	Very low	81 Å²	81	106.6 Å²	106.6	49%	0.491	60%	0.596	S	S	.	*	H	α-helix	trans	-76.2	-34.7	178.7	175	0	0	0	0	112.2	V34 L35 T41	V34-V38 HydrophobicContact CG1-CG2 4.25Å; V34-V38 WeakPolarHBondContact O-CB 3.32Å; V34-V38 VanDerWaalsContact O-CG2 3.28Å; V34-V38 WeakPolarHBondContact O-CG2 3.47Å; V34-V38 PolarHBondContact O-N 3.37Å; L35-V38 PolarHBondContact O-N 2.75Å; V38-T41 PolarHBondContact O-OG1 3.14Å
39	V	43.1	Very low	43.8	Very low	78 Å²	78	105.1 Å²	105.1	47%	0.473	60%	0.599	S	S	.	*	H	α-helix	trans	-73	-32.6	178.5	175.9	0	0	0	0	111.2	L35	L35-V39 HydrophobicContact CD2-CG2 4.4Å; L35-V39 VanDerWaalsContact O-CB 3.32Å; L35-V39 WeakPolarHBondContact O-CB 3.41Å; L35-V39 WeakPolarHBondContact O-CG2 3.48Å; L35-V39 PolarHBondContact O-N 3.35Å
40	C	38.6	Very low	42.7	Very low	101 Å²	101	106.3 Å²	106.3	68%	0.682	61%	0.606	S	S	*	*	H	α-helix	trans	-75	-25.2	178.1	-75.3	0	0	0	0	114.2	A36	A36-C40 WeakPolarHBondContact O-CB 3.42Å; A36-C40 PolarHBondContact O-N 3.18Å; A36-C40 PolarHBondContact O-SG 2.79Å
41	T	40.2	Very low	41.3	Very low	97 Å²	97	111 Å²	111	60%	0.595	62%	0.62	S	S	*	*	H	α-helix	trans	-84.9	-21.5	-179.5	37.3	0	0	0	0	114.5	S37 V38	S37-T41 PolarHBondContact O-N 3.22Å; S37-T41 PolarHBondContact O-OG1 3.37Å; V38-T41 PolarHBondContact O-OG1 3.14Å
42	N	36.2	Very low	40.2	Very low	132 Å²	132	110.3 Å²	110.3	71%	0.706	62%	0.622	S	S	*	*	S	Bend	trans	-94	-1.2	180	-96.1	4.7	0	0	0	114.9	T44	N42-T44 VanDerWaalsContact C-N 3.27Å; N42-T44 PolarHBondContact O-N 2.86Å
43	M	30.2	Very low	39	Very low	165 Å²	165	116.5 Å²	116.5	81%	0.813	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	7.9	177.4	-86.3	-168.5	157.4	0	0	114.5
44	T	31.5	Very low	38.2	Very low	109 Å²	109	115.3 Å²	115.3	67%	0.669	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	30.5	174.1	60.9	0	0	0	0	113	N42 T46	N42-T44 VanDerWaalsContact C-N 3.27Å; N42-T44 PolarHBondContact O-N 2.86Å; T44-T46 VanDerWaalsContact C-N 3.34Å; T44-T46 PolarHBondContact O-N 3.46Å
45	D	30.4	Very low	37.2	Very low	130 Å²	130	117.2 Å²	117.2	70%	0.695	64%	0.637	S	S	*	*			trans	-76.4	90.4	170.4	-147	-11.5	0	0	0	108.8	N47	D45-N47 PolarHBondContact O-N 3.31Å
46	T	37.5	Very low	36.7	Very low	129 Å²	129	118.4 Å²	118.4	79%	0.791	64%	0.644	S	S	*	*			trans	-73.3	27.6	-173.7	48.4	0	0	0	0	114.2	T44	T44-T46 VanDerWaalsContact C-N 3.34Å; T44-T46 PolarHBondContact O-N 3.46Å
47	N	30.5	Very low	36	Very low	122 Å²	122	121.4 Å²	121.4	65%	0.652	66%	0.656	S	S	*	*			trans	-114.6	27.6	-175.9	-80.7	-18.5	0	0	0	113.6	D45 T49	D45-N47 PolarHBondContact O-N 3.31Å; N47-T49 PolarHBondContact O-N 2.9Å
48	D	32.5	Very low	35.3	Very low	138 Å²	138	123.6 Å²	123.6	74%	0.738	67%	0.667	S	S	*	*			trans	-71	86.4	166.4	-157.6	-1.7	0	0	0	109.3	D50	D48-D50 PolarHBondContact O-N 3.39Å
49	T	31.8	Very low	34.4	Very low	105 Å²	105	128.3 Å²	128.3	64%	0.644	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-77	10.9	-175.4	43.1	0	0	0	0	113.4	N47 Y51	N47-T49 PolarHBondContact O-N 2.9Å; T49-Y51 PolarHBondContact O-N 2.99Å
50	D	36.3	Very low	33.8	Very low	122 Å²	122	128.5 Å²	128.5	65%	0.652	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-75.5	-6.2	178.2	-122.9	7.1	0	0	0	113.3	D48	D48-D50 PolarHBondContact O-N 3.39Å
51	Y	31.4	Very low	33.2	Very low	188 Å²	188	131.4 Å²	131.4	74%	0.737	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-76.6	-22.2	177.1	-135.6	-90.8	0	0	0	113.9	T49 R53 I54	T49-Y51 PolarHBondContact O-N 2.99Å; Y51-R53 PolarHBondContact O-N 3.27Å; Y51-I54 HydrophobicContact CD1-CD1 4.28Å; Y51-I54 HydrophobicContact CE1-CD1 4.1Å
52	D	31.5	Very low	32.8	Very low	127 Å²	127	133 Å²	133	68%	0.679	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-82.2	-8.1	-172.6	-81	-26.8	0	0	0	114.7	I54	D52-I54 PolarHBondContact O-N 3.39Å
53	R	33.4	Very low	32.4	Very low	190 Å²	190	129.9 Å²	129.9	72%	0.717	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-77.9	0.1	175.9	-75.4	-166.9	-159	-165.4	7.1	115	Y51 N55 D56	Y51-R53 PolarHBondContact O-N 3.27Å; R53-N55 PolarHBondContact O-N 3.32Å; R53-D56 PolarHBondContact O-N 2.82Å
54	I	33.9	Very low	32.4	Very low	108 Å²	108	131.2 Å²	131.2	55%	0.554	71%	0.713	S	S	*	*	H	α-helix	trans	-67.5	-22.5	177.1	-67.3	175.8	0	0	0	112	Y51 D52 D56	Y51-I54 HydrophobicContact CD1-CD1 4.28Å; Y51-I54 HydrophobicContact CE1-CD1 4.1Å; D52-I54 PolarHBondContact O-N 3.39Å; I54-D56 PolarHBondContact O-N 2.85Å
55	N	37	Very low	32.1	Very low	118 Å²	118	135.5 Å²	135.5	63%	0.631	73%	0.726	S	S	*	*	H	α-helix	trans	-79.5	-13.7	-180	-75.1	-29.6	0	0	0	115.2	R53	R53-N55 PolarHBondContact O-N 3.32Å
56	D	36.3	Very low	32.2	Very low	119 Å²	119	134 Å²	134	64%	0.636	73%	0.725	S	S	*	*	H	α-helix	trans	-89.3	-18.4	-179.5	-87.1	-20.7	0	0	0	113.7	R53 I54	R53-D56 PolarHBondContact O-N 2.82Å; I54-D56 PolarHBondContact O-N 2.85Å
57	V	35.1	Very low	31.8	Very low	123 Å²	123	133.8 Å²	133.8	75%	0.745	73%	0.729	S	S	*	*	H	α-helix	trans	-83.9	-17.3	-178.3	-174.8	0	0	0	0	112.6	K59	V57-K59 VanDerWaalsContact C-N 3.34Å; V57-K59 PolarHBondContact O-N 3.31Å
58	T	32	Very low	31.8	Very low	114 Å²	114	133 Å²	133	70%	0.699	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-83.6	-1.9	174.8	38.4	0	0	0	0	114.6
59	K	32	Very low	31.5	Very low	179 Å²	179	138.1 Å²	138.1	78%	0.778	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-88.2	0.6	176.5	-82.9	-176.7	-179.8	169.7	0	115.6	V57	V57-K59 VanDerWaalsContact C-N 3.34Å; V57-K59 PolarHBondContact O-N 3.31Å
60	A	31.5	Very low	31.4	Very low	83 Å²	83	141.7 Å²	141.7	69%	0.686	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-98.5	9.4	-175.6	0	0	0	0	0	115.9
61	L	26.9	Very low	31	Very low	161 Å²	161	144.6 Å²	144.6	84%	0.843	75%	0.754	S	S	*	*	S	Bend	trans	-130.2	109.9	175.3	-78	161.9	0	0	0	110.9
62	P	30.6	Very low	30.9	Very low	130 Å²	130	142.8 Å²	142.8	84%	0.844	76%	0.757	S	S	*	*			trans	-75.8	128.4	178.8	29.9	-31.1	0	0	0	110.6
63	G	28.8	Very low	30.8	Very low	67 Å²	67	140 Å²	140	69%	0.691	75%	0.747	S	S	*	*			trans	88.3	76.8	156.1	0	0	0	0	0	116.7
64	H	28.4	Very low	31	Very low	194 Å²	194	137.3 Å²	137.3	90%	0.898	76%	0.758	S	S	*	*			trans	-158.2	98.7	133.3	-104.7	-41.7	0	0	0	110.2	S66	H64-S66 PolarHBondContact O-N 3.29Å
65	Q	27.2	Very low	30.9	Very low	199 Å²	199	139 Å²	139	93%	0.93	77%	0.768	S	S	*	*			trans	-74.6	109.8	162.9	-73.9	-179	-17.9	0	0	108.5
66	S	32.2	Very low	30.5	Very low	98 Å²	98	137 Å²	137	69%	0.685	76%	0.757	S	S	*	*			trans	-152.8	95.5	148.6	67.8	0	0	0	0	109.2	H64 T68	H64-S66 PolarHBondContact O-N 3.29Å; S66-T68 PolarHBondContact O-N 2.99Å; S66-T68 VanDerWaalsContact O-N 3.14Å
67	S	28.8	Very low	30.5	Very low	124 Å²	124	137.9 Å²	137.9	87%	0.867	76%	0.76	S	S	*	*			trans	-65	103.3	171.4	54.6	0	0	0	0	110.1
68	T	29.2	Very low	30.3	Very low	106 Å²	106	136.4 Å²	136.4	65%	0.65	75%	0.747	S	S	*	*			trans	-123.5	108.7	158.6	37	0	0	0	0	108.1	S66 F70	S66-T68 PolarHBondContact O-N 2.99Å; S66-T68 VanDerWaalsContact O-N 3.14Å; T68-F70 PolarHBondContact O-N 3.21Å; T68-F70 VanDerWaalsContact O-N 3.12Å
69	R	27.1	Very low	30.2	Very low	246 Å²	246	138 Å²	138	93%	0.928	75%	0.745	S	S	*	*			trans	-72.2	95.5	178.4	-168.4	-177.9	-149.3	172.3	4.7	107.3	E71	R69-E71 PolarHBondContact O-N 3.17Å
70	F	29.3	Very low	30.4	Very low	180 Å²	180	135.5 Å²	135.5	79%	0.789	74%	0.736	S	S	*	*			trans	-73.1	111	172.1	-89.2	-92.5	0	0	0	109	T68 L72	T68-F70 PolarHBondContact O-N 3.21Å; T68-F70 VanDerWaalsContact O-N 3.12Å; F70-L72 PolarHBondContact O-N 3.33Å
71	E	28.7	Very low	30.5	Very low	182 Å²	182	137 Å²	137	85%	0.85	73%	0.733	S	S	*	*			trans	-69.7	112.7	162.8	-73.1	-177.1	161	0	0	107.8	R69 S73	R69-E71 PolarHBondContact O-N 3.17Å; E71-S73 PolarHBondContact O-N 2.84Å
72	L	28.4	Very low	30.8	Very low	151 Å²	151	133.7 Å²	133.7	79%	0.791	72%	0.719	S	S	*	*			trans	-60.5	119.7	-179.9	-72.7	140.6	0	0	0	109.8	F70 D76	F70-L72 PolarHBondContact O-N 3.33Å; L72-D76 VanDerWaalsContact CA-OD2 3.29Å; L72-D76 WeakPolarHBondContact CA-OD2 3.48Å; L72-D76 VanDerWaalsContact CB-OD2 3.31Å; L72-D76 WeakPolarHBondContact CB-OD2 3.24Å; L72-D76 WeakPolarHBondContact CD2-OD2 3.43Å
73	S	30.2	Very low	31.1	Very low	69 Å²	69	134.5 Å²	134.5	48%	0.483	71%	0.705	S	S	.	*			trans	-86.1	141.9	173.9	90.3	0	0	0	0	108.4	E71 N75 D76	E71-S73 PolarHBondContact O-N 2.84Å; S73-N75 PolarHBondContact O-N 2.94Å; S73-D76 PolarHBondContact N-OD2 3.19Å; S73-D76 PolarHBondContact O-N 2.82Å; S73-D76 VanDerWaalsContact O-OD2 3.1Å
74	S	37.1	Very low	31.6	Very low	133 Å²	133	140.1 Å²	140.1	93%	0.93	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	7.8	-176.8	34	0	0	0	0	116
75	N	32.3	Very low	32.4	Very low	143 Å²	143	134.6 Å²	134.6	77%	0.765	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	13.8	169.7	-74.7	-21.2	0	0	0	113.3	S73 I77	S73-N75 PolarHBondContact O-N 2.94Å; N75-I77 PolarHBondContact O-N 2.86Å
76	D	29.5	Very low	33.4	Very low	77 Å²	77	136 Å²	136	41%	0.412	67%	0.674	S	S	.	*			trans	-61	101.1	178.3	-71.3	-26.3	0	0	0	110.4	L72 S73 I78	L72-D76 VanDerWaalsContact CA-OD2 3.29Å; L72-D76 WeakPolarHBondContact CA-OD2 3.48Å; L72-D76 VanDerWaalsContact CB-OD2 3.31Å; L72-D76 WeakPolarHBondContact CB-OD2 3.24Å; L72-D76 WeakPolarHBondContact CD2-OD2 3.43Å; S73-D76 PolarHBondContact N-OD2 3.19Å; S73-D76 PolarHBondContact O-N 2.82Å; S73-D76 VanDerWaalsContact O-OD2 3.1Å; D76-I78 PolarHBondContact O-N 3.32Å
77	I	35.4	Very low	34.3	Very low	136 Å²	136	134 Å²	134	70%	0.697	66%	0.66	S	S	*	*			trans	-37.9	119.7	168.3	-63.6	164.5	0	0	0	107.2	N75 F79	N75-I77 PolarHBondContact O-N 2.86Å; I77-F79 VanDerWaalsContact C-N 3.31Å; I77-F79 WeakPolarHBondContact O-CD2 3.25Å; I77-F79 PolarHBondContact O-N 3.08Å
78	I	30.5	Very low	35.4	Very low	93 Å²	93	134.4 Å²	134.4	48%	0.477	65%	0.646	S	S	.	*			trans	-54.1	101.1	172.3	-62.6	173.3	0	0	0	106.6	D76 E80 T82	D76-I78 PolarHBondContact O-N 3.32Å; I78-E80 PolarHBondContact O-N 3.07Å; I78-T82 WeakPolarHBondContact CG2-OG1 3.42Å
79	F	29.4	Very low	36.5	Very low	147 Å²	147	135.7 Å²	135.7	65%	0.645	66%	0.657	S	S	*	*			trans	-54.7	133.9	-176.1	-83.2	-89.1	0	0	0	109	I77 N81 T82	I77-F79 VanDerWaalsContact C-N 3.31Å; I77-F79 WeakPolarHBondContact O-CD2 3.25Å; I77-F79 PolarHBondContact O-N 3.08Å; F79-N81 PolarHBondContact O-N 3.3Å; F79-T82 HydrophobicContact CB-CG2 4.45Å; F79-T82 WeakPolarHBondContact O-CB 3.27Å; F79-T82 PolarHBondContact O-N 3.11Å; F79-T82 PolarHBondContact O-OG1 3.49Å
80	E	36	Very low	37.8	Very low	126 Å²	126	128 Å²	128	59%	0.589	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-47.8	-26.8	-179.2	-64.3	-176.7	134.4	0	0	113.4	I78 T82 Y100	I78-E80 PolarHBondContact O-N 3.07Å; E80-T82 VanDerWaalsContact C-N 3.34Å; E80-T82 PolarHBondContact O-N 3.21Å; E80-Y100 VanDerWaalsContact CD-OH 3.23Å; E80-Y100 PolarHBondContact OE1-OH 3.19Å
81	N	33.7	Very low	39	Very low	116 Å²	116	123.3 Å²	123.3	62%	0.62	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-74.4	-14.2	178.3	-72.8	-26.8	0	0	0	115.3	F79 W83	F79-N81 PolarHBondContact O-N 3.3Å; N81-W83 VanDerWaalsContact C-N 3.3Å; N81-W83 PolarHBondContact O-N 3.13Å
82	T	34.1	Very low	40.4	Very low	90 Å²	90	123.2 Å²	123.2	55%	0.552	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-75.7	-17	-177.8	56.1	0	0	0	0	113.5	I78 F79 E80	I78-T82 WeakPolarHBondContact CG2-OG1 3.42Å; F79-T82 HydrophobicContact CB-CG2 4.45Å; F79-T82 WeakPolarHBondContact O-CB 3.27Å; F79-T82 PolarHBondContact O-N 3.11Å; F79-T82 PolarHBondContact O-OG1 3.49Å; E80-T82 VanDerWaalsContact C-N 3.34Å; E80-T82 PolarHBondContact O-N 3.21Å
83	W	37.1	Very low	41.9	Very low	148 Å²	148	117 Å²	117	56%	0.561	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-97.9	10.4	-178.7	-65.7	102.8	0	0	0	114.6	N81 Y85 V162	N81-W83 VanDerWaalsContact C-N 3.3Å; N81-W83 PolarHBondContact O-N 3.13Å; W83-Y85 PolarHBondContact O-N 3.03Å; W83-V162 HydrophobicContact CZ2-CG1 4.4Å
84	R	40.1	Very low	43.2	Very low	184 Å²	184	117.3 Å²	117.3	69%	0.694	60%	0.601	S	S	*	*			trans	-63.5	94.4	165.3	-71.2	-170.1	-175.9	-168.5	0.9	107.5	R86	R84-R86 PolarHBondContact O-N 3.01Å
85	Y	44.6	Very low	44.4	Very low	78 Å²	78	111.6 Å²	111.6	31%	0.306	56%	0.56	S	S	.	*			trans	-50.4	108.5	167	175.3	-93.5	0	0	0	106.4	W83 S87 F88 I93 L96 P683	W83-Y85 PolarHBondContact O-N 3.03Å; Y85-S87 PolarHBondContact O-N 3.22Å; Y85-S87 VanDerWaalsContact O-N 3.09Å; Y85-F88 WeakPolarHBondContact OH-CD2 3.46Å; Y85-I93 HydrophobicContact CD1-CD1 4.13Å; Y85-I93 HydrophobicContact CE1-CD1 3.63Å; Y85-L96 HydrophobicContact CD1-CD2 3.88Å; Y85-L96 HydrophobicContact CG-CD2 4.48Å; Y85-P683 HydrophobicContact CE2-CG 4.02Å
86	R	47.6	Very low	45.7	Very low	228 Å²	228	108.2 Å²	108.2	86%	0.86	54%	0.542	S	S	*	.			trans	-71.7	107.1	168.9	-69.4	-171.4	-162.5	-170	6	104.5	R84 F88	R84-R86 PolarHBondContact O-N 3.01Å; R86-F88 PolarHBondContact O-N 3.18Å
87	S	50.3	Low	47	Very low	56 Å²	56	110.5 Å²	110.5	39%	0.392	55%	0.545	S	S	.	.			trans	-37.4	125.1	163	31.9	0	0	0	0	109.2	Y85 I91	Y85-S87 PolarHBondContact O-N 3.22Å; Y85-S87 VanDerWaalsContact O-N 3.09Å; S87-I91 WeakPolarHBondContact CB-O 3.47Å
88	F	52	Low	47.7	Very low	133 Å²	133	106 Å²	106	58%	0.583	53%	0.525	S	S	*	.			trans	-48	141.5	167.8	-86.3	-84.4	0	0	0	108.6	Y85 R86 G90 I91	Y85-F88 WeakPolarHBondContact OH-CD2 3.46Å; R86-F88 PolarHBondContact O-N 3.18Å; F88-G90 PolarHBondContact O-N 3.11Å; F88-I91 HydrophobicContact CB-CB 4.47Å; F88-I91 HydrophobicContact CB-CD1 4.09Å; F88-I91 HydrophobicContact CB-CG1 4.3Å; F88-I91 PolarHBondContact O-N 3.22Å
89	P	53.4	Low	48.6	Very low	133 Å²	133	104 Å²	104	86%	0.864	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.5	118.5	178.2	-26.9	33.7	0	0	0	110.6
90	G	53.5	Low	49.9	Very low	84 Å²	84	101.2 Å²	101.2	87%	0.866	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.4	-15.9	-177.5	0	0	0	0	0	116.9	F88	F88-G90 PolarHBondContact O-N 3.11Å
91	I	54.3	Low	51.1	Low	82 Å²	82	96.2 Å²	96.2	42%	0.421	48%	0.482	S	S	.	.			trans	-103.5	89.9	-178.4	-54.1	-176.8	0	0	0	110.6	S87 F88 I93	S87-I91 WeakPolarHBondContact CB-O 3.47Å; F88-I91 HydrophobicContact CB-CB 4.47Å; F88-I91 HydrophobicContact CB-CD1 4.09Å; F88-I91 HydrophobicContact CB-CG1 4.3Å; F88-I91 PolarHBondContact O-N 3.22Å; I91-I93 HydrophobicContact CG2-CG1 4.42Å; I91-I93 PolarHBondContact O-N 3.02Å
92	K	59.1	Low	52.9	Low	180 Å²	180	91 Å²	91	78%	0.783	46%	0.455	S	S	*	.			trans	-78	123.1	171.5	-67.1	-176.1	-179.8	-179.7	0	110.3	K593	K92-K593 PolarHBondContact O-NZ 3.35Å
93	I	59.1	Low	54.8	Low	20 Å²	20	89.7 Å²	89.7	10%	0.103	44%	0.442	C	S	.	.			trans	-103.3	117.3	167.7	-56.2	177.3	0	0	0	106.3	Y85 I91 V95 L96 K593	Y85-I93 HydrophobicContact CD1-CD1 4.13Å; Y85-I93 HydrophobicContact CE1-CD1 3.63Å; I91-I93 HydrophobicContact CG2-CG1 4.42Å; I91-I93 PolarHBondContact O-N 3.02Å; I93-V95 WeakPolarHBondContact CG2-O 3.28Å; I93-V95 PolarHBondContact O-N 3Å; I93-L96 HydrophobicContact CB-CD2 4.41Å; I93-K593 HydrophobicContact CG1-CD 4.25Å
94	P	58.4	Low	56.6	Low	77 Å²	77	82.7 Å²	82.7	50%	0.5	42%	0.416	S	S	.	.	S	Bend	trans	-67.6	-35	-170.7	22.5	-29.9	0	0	0	112.8	K593 T596	P94-K593 HydrophobicContact CG-CB 4.32Å; P94-K593 WeakPolarHBondContact CG-O 3.36Å; P94-T596 HydrophobicContact CB-CG2 4.32Å; P94-T596 HydrophobicContact CG-CG2 4.07Å
95	V	61.8	Low	58.7	Low	12 Å²	12	74 Å²	74	7%	0.073	38%	0.383	C	S	.	.	S	Bend	trans	-119.9	103.6	173.1	-175.5	0	0	0	0	107.7	I93 W595 T596 L656 L681	I93-V95 WeakPolarHBondContact CG2-O 3.28Å; I93-V95 PolarHBondContact O-N 3Å; V95-W595 HydrophobicContact CB-CZ2 4.17Å; V95-W595 HydrophobicContact CG2-CH2 4.49Å; V95-W595 HydrophobicContact CG2-CZ2 3.93Å; V95-T596 HydrophobicContact CG2-CG2 3.84Å; V95-L656 HydrophobicContact CG2-CB 3.88Å; V95-L656 HydrophobicContact CG2-CD1 4.42Å; V95-L681 HydrophobicContact CB-CD2 4.17Å
96	L	59.3	Low	61	Low	73 Å²	73	70.3 Å²	70.3	38%	0.382	37%	0.368	S	S	.	.			trans	-63.4	143.1	173.8	-69.2	167.6	0	0	0	108.8	Y85 I93 S98	Y85-L96 HydrophobicContact CD1-CD2 3.88Å; Y85-L96 HydrophobicContact CG-CD2 4.48Å; I93-L96 HydrophobicContact CB-CD2 4.41Å; L96-S98 PolarHBondContact O-N 3.47Å
97	R	57	Low	63.2	Low	125 Å²	125	59.4 Å²	59.4	47%	0.472	33%	0.327	S	S	.	.			trans	-48.8	109.8	172.8	-173.3	-175.7	-170.1	-145.1	4.5	108.6
98	S	51.5	Low	65.4	Low	41 Å²	41	56.8 Å²	56.8	29%	0.287	31%	0.309	S	S	.	.			trans	-76.3	133.2	177.2	146.9	0	0	0	0	108.6	L96 Y100 P661	L96-S98 PolarHBondContact O-N 3.47Å; S98-Y100 PolarHBondContact O-N 2.82Å; S98-Y100 VanDerWaalsContact O-N 3.12Å; S98-P661 VanDerWaalsContact OG-CG 3.25Å; S98-P661 WeakPolarHBondContact OG-CG 3.41Å
99	P	48.6	Very low	67.5	Low	52 Å²	52	50.9 Å²	50.9	34%	0.338	28%	0.283	S	S	.	.	S	Bend	trans	-78.2	2.8	-159.8	29.8	-35.3	0	0	0	114.5	W163	P99-W163 PolarHBondContact O-NE1 3.41Å
100	Y	56.6	Low	69.4	Low	88 Å²	88	44.8 Å²	44.8	35%	0.345	24%	0.244	S	C	.	.	S	Bend	trans	-106.8	126.4	-172.2	-50.2	-81.8	0	0	0	110.8	E80 S98 W163	E80-Y100 VanDerWaalsContact CD-OH 3.23Å; E80-Y100 PolarHBondContact OE1-OH 3.19Å; S98-Y100 PolarHBondContact O-N 2.82Å; S98-Y100 VanDerWaalsContact O-N 3.12Å; Y100-W163 AromaticContact CD1-CH2 3.69Å; Y100-W163 HydrophobicContact CD1-CH2 3.69Å; Y100-W163 AromaticContact CD1-CZ2 3.46Å; Y100-W163 HydrophobicContact CD1-CZ2 3.46Å; Y100-W163 VanDerWaalsContact CD1-CZ2 3.46Å; Y100-W163 AromaticContact CE1-CH2 3.29Å; Y100-W163 HydrophobicContact CE1-CH2 3.29Å; Y100-W163 AromaticContact CE1-CZ2 3.48Å; Y100-W163 HydrophobicContact CE1-CZ2 3.48Å; Y100-W163 VanDerWaalsContact CE1-CZ2 3.48Å; Y100-W163 HydrophobicContact CE1-CZ3 4.24Å; Y100-W163 HydrophobicContact CG-CZ2 4.46Å
101	P	61.9	Low	71.1	Confident	20 Å²	20	46.6 Å²	46.6	13%	0.13	22%	0.224	C	C	.	.			trans	-60.5	148.2	169	30.4	-38.1	0	0	0	110	F103 P160	P101-F103 VanDerWaalsContact C-N 3.32Å; P101-F103 HydrophobicContact CB-CD1 4.29Å; P101-F103 HydrophobicContact CB-CE1 4.02Å; P101-F103 HydrophobicContact CB-CZ 4.31Å; P101-F103 HydrophobicContact CG-CD1 4.08Å; P101-F103 HydrophobicContact CG-CD2 4.45Å; P101-F103 HydrophobicContact CG-CE1 3.37Å; P101-F103 HydrophobicContact CG-CE2 3.85Å; P101-F103 HydrophobicContact CG-CZ 3.29Å; P101-F103 WeakPolarHBondContact O-CD2 3.48Å; P101-P160 HydrophobicContact CB-CG 3.9Å; P101-P160 HydrophobicContact CG-CG 3.85Å
102	T	71.7	Confident	72.7	Confident	8 Å²	8	43.8 Å²	43.8	5%	0.049	21%	0.212	C	C	.	.			trans	-86.4	-8.5	-176.8	84	0	0	0	0	113.5	G104 S105 P661 R662 E665	T102-G104 PolarHBondContact O-N 3.31Å; T102-S105 VanDerWaalsContact CB-CB 3.43Å; T102-S105 PolarHBondContact O-N 3.09Å; T102-S105 WeakPolarHBondContact OG1-CB 3.39Å; T102-S105 PolarHBondContact OG1-N 2.77Å; T102-P661 HydrophobicContact CG2-CB 3.69Å; T102-R662 HydrophobicContact CG2-CB 4.45Å; T102-R662 HydrophobicContact CG2-CG 3.87Å; T102-E665 WeakPolarHBondContact CB-OE2 2.84Å; T102-E665 PolarHBondContact N-OE2 2.49Å; T102-E665 PolarHBondContact OG1-OE1 3.48Å; T102-E665 PolarHBondContact OG1-OE2 3.05Å
103	F	73.2	Confident	74	Confident	62 Å²	62	35.8 Å²	35.8	27%	0.272	18%	0.177	S	C	.	.	S	Bend	trans	52.9	48.8	179.8	-54.5	-64.4	0	0	0	113.3	P101 Y159 F205	P101-F103 VanDerWaalsContact C-N 3.32Å; P101-F103 HydrophobicContact CB-CD1 4.29Å; P101-F103 HydrophobicContact CB-CE1 4.02Å; P101-F103 HydrophobicContact CB-CZ 4.31Å; P101-F103 HydrophobicContact CG-CD1 4.08Å; P101-F103 HydrophobicContact CG-CD2 4.45Å; P101-F103 HydrophobicContact CG-CE1 3.37Å; P101-F103 HydrophobicContact CG-CE2 3.85Å; P101-F103 HydrophobicContact CG-CZ 3.29Å; P101-F103 WeakPolarHBondContact O-CD2 3.48Å; F103-Y159 HydrophobicContact CD1-CD2 4.26Å; F103-Y159 AromaticContact CE1-CD2 3.41Å; F103-Y159 HydrophobicContact CE1-CD2 3.41Å; F103-Y159 VanDerWaalsContact CE1-CD2 3.41Å; F103-Y159 AromaticContact CE1-CE2 3.55Å; F103-Y159 HydrophobicContact CE1-CE2 3.55Å; F103-Y159 HydrophobicContact CE1-CG 4.48Å; F103-Y159 HydrophobicContact CZ-CD2 4.21Å; F103-Y159 AromaticContact CZ-CE2 3.88Å; F103-Y159 HydrophobicContact CZ-CE2 3.88Å; F103-F205 HydrophobicContact CD2-CE2 4.24Å
104	G	75.7	Confident	75.2	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.01	18%	0.175	C	C	.	.	S	Bend	trans	83.5	33.1	179.3	0	0	0	0	0	112.8	T102 P106 S157 Q310 L311	T102-G104 PolarHBondContact O-N 3.31Å; G104-P106 WeakPolarHBondContact O-CD 3.46Å; G104-S157 VanDerWaalsContact CA-OG 3.3Å; G104-S157 WeakPolarHBondContact CA-OG 3.29Å; G104-S157 PolarHBondContact N-OG 3.19Å; G104-Q310 CarbonylContact C-O 3.56Å; G104-Q310 WeakPolarHBondContact CA-O 3.47Å; G104-L311 WeakPolarHBondContact O-CA 3.2Å; G104-L311 WeakPolarHBondContact O-CD2 3.21Å
105	S	83.8	Confident	76.3	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.007	16%	0.16	C	C	.	.			trans	-66.5	126.1	172.5	-170.4	0	0	0	0	109.3	T102 W113 R662	T102-S105 VanDerWaalsContact CB-CB 3.43Å; T102-S105 PolarHBondContact O-N 3.09Å; T102-S105 WeakPolarHBondContact OG1-CB 3.39Å; T102-S105 PolarHBondContact OG1-N 2.77Å; S105-W113 WeakPolarHBondContact OG-CH2 3.33Å; S105-W113 WeakPolarHBondContact OG-CZ3 3.33Å; S105-R662 WeakPolarHBondContact OG-CD 3.41Å
106	P	91.9	Very high	76.9	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.			trans	-68.2	151.5	179.2	29.1	-36.5	0	0	0	111.4	G104 P110 T307 Q310	G104-P106 WeakPolarHBondContact O-CD 3.46Å; P106-P110 VanDerWaalsContact CG-CD 3.42Å; P106-P110 HydrophobicContact CG-CG 3.8Å; P106-T307 HydrophobicContact CB-CG2 4.03Å; P106-Q310 VanDerWaalsContact CA-OE1 3.28Å
107	W	94.3	Very high	77.4	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	-130.9	122.5	168.5	-168.6	-74.8	0	0	0	109.5	Q310 Y599 S641 E645 A659 R662 I663 Q666	W107-Q310 PolarHBondContact O-NE2 2.98Å; W107-Q310 PolarHBondContact O-OE1 2.7Å; W107-Y599 HydrophobicContact CH2-CD2 4.26Å; W107-Y599 AromaticContact CH2-CE2 3.8Å; W107-Y599 HydrophobicContact CH2-CE2 3.8Å; W107-Y599 HydrophobicContact CZ2-CD2 4.49Å; W107-Y599 HydrophobicContact CZ2-CE2 4.21Å; W107-S641 WeakPolarHBondContact CZ2-O 3.4Å; W107-S641 PolarHBondContact NE1-O 3Å; W107-E645 HydrophobicContact CH2-CB 4.48Å; W107-E645 WeakPolarHBondContact CH2-OE1 3.41Å; W107-E645 HydrophobicContact CZ2-CB 3.73Å; W107-E645 HydrophobicContact CZ2-CG 4.39Å; W107-A659 HydrophobicContact CH2-CB 4.34Å; W107-A659 HydrophobicContact CZ3-CB 4.42Å; W107-R662 HydrophobicContact CE3-CB 3.58Å; W107-R662 HydrophobicContact CZ3-CB 3.77Å; W107-I663 HydrophobicContact CE3-CB 4.28Å; W107-I663 HydrophobicContact CH2-CB 3.69Å; W107-I663 HydrophobicContact CH2-CD1 3.98Å; W107-I663 HydrophobicContact CH2-CG1 4.03Å; W107-I663 HydrophobicContact CZ2-CB 4.26Å; W107-I663 HydrophobicContact CZ2-CD1 3.92Å; W107-I663 HydrophobicContact CZ2-CG1 4.09Å; W107-I663 HydrophobicContact CZ3-CB 3.7Å; W107-I663 HydrophobicContact CZ3-CG1 4.4Å; W107-Q666 HydrophobicContact CB-CB 4.11Å; W107-Q666 HydrophobicContact CB-CG 4.14Å; W107-Q666 HydrophobicContact CD2-CB 4.45Å; W107-Q666 HydrophobicContact CG-CB 4.09Å; W107-Q666 HydrophobicContact CG-CG 3.95Å
108	P	97.1	Very high	78.3	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.153	C	C	.	.	S	Bend	cis	-70.2	162.1	-3.6	30.3	-37.9	0	0	0	113.4	K364 E645 W648	P108-K364 HydrophobicContact CG-CB 4.3Å; P108-K364 HydrophobicContact CG-CD 3.84Å; P108-K364 HydrophobicContact CG-CG 4.15Å; P108-E645 VanDerWaalsContact CA-OE2 3.26Å; P108-E645 WeakPolarHBondContact CA-OE2 3.5Å; P108-E645 HydrophobicContact CB-CB 3.89Å; P108-E645 HydrophobicContact CB-CG 3.94Å; P108-W648 HydrophobicContact CB-CB 3.81Å; P108-W648 HydrophobicContact CB-CG 3.88Å; P108-W648 HydrophobicContact CG-CB 3.56Å; P108-W648 HydrophobicContact CG-CD2 3.9Å; P108-W648 HydrophobicContact CG-CG 3.28Å
109	L	94.4	Very high	79.9	Confident	9 Å²	9	28.4 Å²	28.4	5%	0.047	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-67.4	132	179.6	-161.1	73.1	0	0	0	111.1	W113 A207 E645 S649 V653 F658	L109-W113 HydrophobicContact CD1-CE3 3.7Å; L109-W113 HydrophobicContact CD1-CZ3 3.84Å; L109-A207 HydrophobicContact CD2-CB 4.4Å; L109-E645 PolarHBondContact N-OE2 3.34Å; L109-S649 PolarHBondContact N-OG 3.22Å; L109-S649 WeakPolarHBondContact O-CB 3.42Å; L109-S649 PolarHBondContact O-OG 3.12Å; L109-V653 HydrophobicContact CB-CG1 4.09Å; L109-V653 HydrophobicContact CD2-CG1 3.67Å; L109-V653 HydrophobicContact CD2-CG2 4.03Å; L109-F658 HydrophobicContact CD1-CE1 4Å; L109-F658 HydrophobicContact CD2-CE1 4.1Å
110	P	94.3	Very high	81.6	Confident	6 Å²	6	26.9 Å²	26.9	4%	0.039	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-66.7	154.7	179.6	-22.9	30.9	0	0	0	114.3	P106 S112 W113 I328 D330	P106-P110 VanDerWaalsContact CG-CD 3.42Å; P106-P110 HydrophobicContact CG-CG 3.8Å; P110-S112 VanDerWaalsContact C-N 3.3Å; P110-S112 PolarHBondContact O-N 3.02Å; P110-W113 HydrophobicContact CB-CB 4.2Å; P110-W113 HydrophobicContact CG-CB 4.21Å; P110-I328 HydrophobicContact CB-CG2 3.7Å; P110-I328 HydrophobicContact CG-CD1 3.95Å; P110-I328 HydrophobicContact CG-CG1 4.2Å; P110-I328 HydrophobicContact CG-CG2 3.91Å; P110-D330 VanDerWaalsContact CA-OD1 3.26Å; P110-D330 WeakPolarHBondContact CA-OD1 3.46Å; P110-D330 HydrophobicContact CB-CB 4.03Å
111	W	89.2	Confident	83.1	Confident	121 Å²	121	24.7 Å²	24.7	46%	0.458	13%	0.13	S	C	.	.	S	Bend	trans	-57.2	-41.1	173.3	-124.1	82.8	0	0	0	113.1	D330 Y331	W111-D330 PolarHBondContact N-OD1 3.2Å; W111-Y331 HydrophobicContact CB-CD1 4.48Å; W111-Y331 HydrophobicContact CB-CE1 4.2Å; W111-Y331 AromaticContact CD1-CE2 3.82Å; W111-Y331 AromaticContact CD2-CE1 3.94Å; W111-Y331 HydrophobicContact CD2-CE1 3.94Å; W111-Y331 AromaticContact CD2-CE2 3.82Å; W111-Y331 HydrophobicContact CD2-CE2 3.82Å; W111-Y331 AromaticContact CD2-CZ 3.36Å; W111-Y331 AromaticContact CE2-CE2 3.52Å; W111-Y331 AromaticContact CE2-CZ 3.51Å; W111-Y331 VanDerWaalsContact CE2-OH 3.27Å; W111-Y331 HydrophobicContact CE3-CE1 4.13Å; W111-Y331 HydrophobicContact CE3-CE2 4.49Å; W111-Y331 AromaticContact CE3-CZ 3.65Å; W111-Y331 HydrophobicContact CG-CD1 4.48Å; W111-Y331 AromaticContact CG-CE1 3.99Å; W111-Y331 HydrophobicContact CG-CE1 3.99Å; W111-Y331 AromaticContact CG-CE2 4Å; W111-Y331 HydrophobicContact CG-CE2 4Å; W111-Y331 AromaticContact CG-CZ 3.74Å; W111-Y331 WeakPolarHBondContact CH2-OH 3.4Å; W111-Y331 AromaticContact CZ2-CE2 3.95Å; W111-Y331 HydrophobicContact CZ2-CE2 3.95Å; W111-Y331 AromaticContact CZ2-CZ 3.91Å; W111-Y331 VanDerWaalsContact CZ2-OH 3.26Å; W111-Y331 WeakPolarHBondContact CZ2-OH 3.45Å; W111-Y331 WeakPolarHBondContact CZ3-OH 3.49Å; W111-Y331 AromaticContact NE1-CE2 3.54Å; W111-Y331 AromaticContact NE1-CZ 3.94Å
112	S	87.5	Confident	84.3	Confident	23 Å²	23	24.1 Å²	24.1	16%	0.161	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	122	170.9	-166.7	0	0	0	0	109.6	P110 I235 I328 V329	P110-S112 VanDerWaalsContact C-N 3.3Å; P110-S112 PolarHBondContact O-N 3.02Å; S112-I235 WeakPolarHBondContact OG-CD1 3.2Å; S112-I328 VanDerWaalsContact O-CA 3.31Å; S112-I328 WeakPolarHBondContact O-CA 3.43Å; S112-V329 PolarHBondContact N-O 3.31Å; S112-V329 PolarHBondContact O-N 3.32Å
113	W	87.2	Confident	85.1	Confident	13 Å²	13	25.5 Å²	25.5	5%	0.049	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	115.6	179.4	-179.4	31.4	0	0	0	110.8	S105 L109 P110 A207 L311 T326 I328	S105-W113 WeakPolarHBondContact OG-CH2 3.33Å; S105-W113 WeakPolarHBondContact OG-CZ3 3.33Å; L109-W113 HydrophobicContact CD1-CE3 3.7Å; L109-W113 HydrophobicContact CD1-CZ3 3.84Å; P110-W113 HydrophobicContact CB-CB 4.2Å; P110-W113 HydrophobicContact CG-CB 4.21Å; W113-A207 HydrophobicContact CE3-CB 4.27Å; W113-L311 HydrophobicContact CZ2-CD2 4.28Å; W113-T326 PolarHBondContact NE1-OG1 3.44Å; W113-I328 HydrophobicContact CB-CG1 4.32Å; W113-I328 VanDerWaalsContact CD1-CG1 3.4Å; W113-I328 HydrophobicContact CG-CD1 4.41Å; W113-I328 HydrophobicContact CG-CG1 4.09Å
114	S	83.3	Confident	85.8	Confident	8 Å²	8	24.1 Å²	24.1	6%	0.056	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.2	171.1	-135.5	0	0	0	0	109.2	H232 T326 Y327	S114-H232 VanDerWaalsContact OG-CB 3.25Å; S114-H232 WeakPolarHBondContact OG-CB 3.29Å; S114-H232 PolarHBondContact OG-CD2 2.97Å; S114-T326 CarbonylContact O-C 3.6Å; S114-T326 WeakPolarHBondContact O-CA 3.5Å; S114-T326 WeakPolarHBondContact O-CB 3.39Å; S114-T326 PolarHBondContact O-OG1 2.96Å; S114-Y327 PolarHBondContact N-O 3.32Å; S114-Y327 PolarHBondContact O-N 2.97Å
115	S	81.6	Confident	86.3	Confident	27 Å²	27	33.6 Å²	33.6	19%	0.189	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	148.2	176.5	-169.7	0	0	0	0	109.3
116	S	75.4	Confident	86.5	Confident	35 Å²	35	41.1 Å²	41.1	25%	0.245	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	169.9	176.1	81.7	0	0	0	0	111.1	C118 Q325	S116-C118 PolarHBondContact O-N 3.3Å; S116-C118 WeakPolarHBondContact OG-CB 3.45Å; S116-C118 PolarHBondContact OG-N 2.75Å; S116-C118 VanDerWaalsContact OG-N 3.11Å; S116-Q325 PolarHBondContact N-O 3.5Å
117	S	70.1	Confident	86.4	Confident	66 Å²	66	41.2 Å²	41.2	46%	0.462	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-8.2	170.8	56.3	0	0	0	0	113.5	Y119	S117-Y119 WeakPolarHBondContact O-CD1 3.42Å
118	C	76	Confident	86.3	Confident	11 Å²	11	45.3 Å²	45.3	7%	0.074	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	134.7	171.3	-174.5	0	0	0	0	109	S116 C182 Q325	S116-C118 PolarHBondContact O-N 3.3Å; S116-C118 WeakPolarHBondContact OG-CB 3.45Å; S116-C118 PolarHBondContact OG-N 2.75Å; S116-C118 VanDerWaalsContact OG-N 3.11Å; C118-C182 HydrophobicContact CB-CB 4.1Å; C118-C182 WeakPolarHBondContact CB-SG 3.28Å; C118-C182 WeakPolarHBondContact SG-CB 3.38Å; C118-C182 CovalentContact SG-SG 2.05Å; C118-C182 PolarHBondContact SG-SG 2.91Å; C118-Q325 HydrophobicContact CB-CB 4.14Å; C118-Q325 PolarHBondContact O-N 2.79Å
119	Y	83.2	Confident	86.1	Confident	45 Å²	45	46 Å²	46	18%	0.176	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	156.2	177.1	59.1	-92	0	0	0	110.2	S117 Y178 W313 F322 V323	S117-Y119 WeakPolarHBondContact O-CD1 3.42Å; Y119-Y178 AromaticContact CE1-CE1 3.9Å; Y119-Y178 HydrophobicContact CE1-CE1 3.9Å; Y119-W313 HydrophobicContact CD2-CZ2 4.48Å; Y119-W313 HydrophobicContact CG-CZ2 4.28Å; Y119-F322 HydrophobicContact CD2-CB 4.37Å; Y119-F322 AromaticContact CD2-CD1 3.61Å; Y119-F322 HydrophobicContact CD2-CD1 3.61Å; Y119-F322 HydrophobicContact CD2-CE1 4.26Å; Y119-F322 HydrophobicContact CD2-CG 4.27Å; Y119-F322 AromaticContact CE2-CD1 3.77Å; Y119-F322 HydrophobicContact CE2-CD1 3.77Å; Y119-F322 AromaticContact CE2-CE1 3.94Å; Y119-F322 HydrophobicContact CE2-CE1 3.94Å; Y119-V323 CarbonylContact C-O 3.3Å; Y119-V323 WeakPolarHBondContact CA-O 3.11Å
120	Y	86	Confident	86	Confident	21 Å²	21	48.3 Å²	48.3	8%	0.082	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	142.3	-178.6	-54.3	-73.3	0	0	0	110.5	G257 Q259 V286 S287 G288 F322 V323 Q325	Y120-G257 WeakPolarHBondContact CD1-O 3.06Å; Y120-Q259 HydrophobicContact CG-CG 4.28Å; Y120-V286 HydrophobicContact CD2-CG1 3.79Å; Y120-V286 HydrophobicContact CE2-CG1 4.1Å; Y120-S287 VanDerWaalsContact CZ-C 3.47Å; Y120-G288 VanDerWaalsContact CZ-N 3.32Å; Y120-G288 PolarHBondContact OH-N 3.11Å; Y120-F322 VanDerWaalsContact O-CA 3.32Å; Y120-F322 WeakPolarHBondContact O-CA 3.46Å; Y120-V323 PolarHBondContact N-O 3.49Å; Y120-V323 PolarHBondContact O-N 3.13Å; Y120-Q325 HydrophobicContact CE2-CB 3.65Å; Y120-Q325 HydrophobicContact CE2-CG 4.14Å; Y120-Q325 PolarHBondContact OH-OE1 2.73Å
121	N	86.6	Confident	85.9	Confident	41 Å²	41	51.1 Å²	51.1	22%	0.219	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	137.5	167.9	-89.5	-47.4	0	0	0	109.9	I258 Q259 F322	N121-I258 HydrophobicContact CB-CG1 4.33Å; N121-I258 CarbonylContact O-C 3.58Å; N121-I258 WeakPolarHBondContact O-CA 3.48Å; N121-Q259 PolarHBondContact O-N 3.02Å; N121-F322 VanDerWaalsContact OD1-CD1 3.27Å; N121-F322 WeakPolarHBondContact OD1-CD1 3.12Å; N121-F322 WeakPolarHBondContact OD1-CE1 3.32Å
122	V	88.3	Confident	85.8	Confident	9 Å²	9	48 Å²	48	6%	0.055	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.4	172.3	-173.7	0	0	0	0	108.9	M124 F127 Q259 M312 V321 V323	V122-M124 HydrophobicContact CB-SD 4.11Å; V122-M124 HydrophobicContact CG1-SD 3.77Å; V122-M124 PolarHBondContact O-N 2.9Å; V122-F127 HydrophobicContact CG1-CB 4.13Å; V122-F127 HydrophobicContact CG1-CD2 3.51Å; V122-F127 HydrophobicContact CG1-CE2 4.18Å; V122-F127 HydrophobicContact CG1-CG 3.92Å; V122-Q259 HydrophobicContact CG2-CB 4.36Å; V122-M312 HydrophobicContact CG1-CE 4.45Å; V122-M312 HydrophobicContact CG2-CE 4.44Å; V122-V321 HydrophobicContact CB-CB 4.26Å; V122-V321 HydrophobicContact CB-CG1 3.96Å; V122-V321 HydrophobicContact CG2-CG1 4.07Å; V122-V321 PolarHBondContact N-O 2.81Å; V122-V323 HydrophobicContact CG2-CB 4.26Å; V122-V323 HydrophobicContact CG2-CG1 3.77Å
123	D	88.5	Confident	85.5	Confident	37 Å²	37	49.3 Å²	49.3	20%	0.198	24%	0.239	C	C	.	.			trans	-76.1	88.3	175.1	-176.3	-10.6	0	0	0	109.8	K125 R126 F127 I258 Q259 K260	D123-K125 PolarHBondContact O-N 3.11Å; D123-K125 PolarHBondContact OD1-N 3.16Å; D123-R126 HydrophobicContact CB-CB 4.47Å; D123-R126 CarbonylContact O-C 3.54Å; D123-R126 PolarHBondContact O-N 3.36Å; D123-R126 PolarHBondContact OD1-N 2.93Å; D123-R126 VanDerWaalsContact OD2-CD 3.27Å; D123-R126 WeakPolarHBondContact OD2-CD 3.29Å; D123-R126 WeakPolarHBondContact OD2-CG 3.49Å; D123-R126 IonicContact OD2-NE 2.74Å; D123-F127 WeakPolarHBondContact O-CB 3.36Å; D123-F127 PolarHBondContact O-N 3.33Å; D123-I258 HydrophobicContact CB-CG2 3.69Å; D123-Q259 PolarHBondContact N-O 3.09Å; D123-K260 HydrophobicContact CB-CG 3.98Å
124	M	87.9	Confident	85.3	Confident	33 Å²	33	55.4 Å²	55.4	16%	0.163	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-22.6	-177	-61	-51.3	-60.6	0	0	114.5	V122 I150 V321	V122-M124 HydrophobicContact CB-SD 4.11Å; V122-M124 HydrophobicContact CG1-SD 3.77Å; V122-M124 PolarHBondContact O-N 2.9Å; M124-I150 VanDerWaalsContact CE-C 3.44Å; M124-I150 HydrophobicContact CE-CG2 3.55Å; M124-I150 WeakPolarHBondContact CE-O 3.42Å; M124-I150 HydrophobicContact SD-CG2 4.33Å; M124-V321 HydrophobicContact CE-CG2 4.23Å; M124-V321 HydrophobicContact CG-CB 3.87Å; M124-V321 HydrophobicContact CG-CG2 3.65Å; M124-V321 HydrophobicContact SD-CB 3.53Å; M124-V321 VanDerWaalsContact SD-CB 3.53Å; M124-V321 HydrophobicContact SD-CG1 3.76Å; M124-V321 HydrophobicContact SD-CG2 3.56Å; M124-V321 VanDerWaalsContact SD-CG2 3.56Å
125	K	86.2	Confident	85.4	Confident	199 Å²	199	56.5 Å²	56.5	87%	0.865	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-24.2	177.9	-67.1	-176.1	179.8	-180	0	112.6	D123	D123-K125 PolarHBondContact O-N 3.11Å; D123-K125 PolarHBondContact OD1-N 3.16Å
126	R	87.1	Confident	85.8	Confident	159 Å²	159	56.6 Å²	56.6	60%	0.6	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.2	-8.6	-176.9	-59.5	-174.5	-169.4	-179.7	4.8	113.2	D123 H128 K260	D123-R126 HydrophobicContact CB-CB 4.47Å; D123-R126 CarbonylContact O-C 3.54Å; D123-R126 PolarHBondContact O-N 3.36Å; D123-R126 PolarHBondContact OD1-N 2.93Å; D123-R126 VanDerWaalsContact OD2-CD 3.27Å; D123-R126 WeakPolarHBondContact OD2-CD 3.29Å; D123-R126 WeakPolarHBondContact OD2-CG 3.49Å; D123-R126 IonicContact OD2-NE 2.74Å; R126-H128 PolarHBondContact O-N 3.09Å; R126-H128 PolarHBondContact O-ND1 2.92Å; R126-K260 CarbonylContact C-O 3.57Å
127	F	90.7	Very high	86.5	Confident	3 Å²	3	58.5 Å²	58.5	1%	0.013	28%	0.283	C	S	.	.			trans	-59.5	123.2	-178.6	-171	-94.7	0	0	0	111.2	V122 D123 F129 I150 K260 A262 I291 M312	V122-F127 HydrophobicContact CG1-CB 4.13Å; V122-F127 HydrophobicContact CG1-CD2 3.51Å; V122-F127 HydrophobicContact CG1-CE2 4.18Å; V122-F127 HydrophobicContact CG1-CG 3.92Å; D123-F127 WeakPolarHBondContact O-CB 3.36Å; D123-F127 PolarHBondContact O-N 3.33Å; F127-F129 HydrophobicContact CE1-CE1 4.24Å; F127-F129 HydrophobicContact CE1-CE2 4.13Å; F127-F129 AromaticContact CE1-CZ 3.93Å; F127-F129 HydrophobicContact CE1-CZ 3.93Å; F127-F129 HydrophobicContact CZ-CE1 4.17Å; F127-F129 HydrophobicContact CZ-CZ 4.26Å; F127-I150 HydrophobicContact CD1-CD1 4.47Å; F127-I150 HydrophobicContact CD1-CG2 3.63Å; F127-I150 HydrophobicContact CE1-CD1 3.67Å; F127-I150 HydrophobicContact CE1-CG2 3.88Å; F127-I150 HydrophobicContact CG-CG2 4.39Å; F127-I150 HydrophobicContact CZ-CD1 4.28Å; F127-K260 WeakPolarHBondContact CA-O 3.38Å; F127-A262 HydrophobicContact CE2-CB 4.31Å; F127-A262 HydrophobicContact CZ-CB 3.96Å; F127-I291 HydrophobicContact CE2-CD1 4.24Å; F127-M312 HydrophobicContact CE1-CE 4.25Å; F127-M312 HydrophobicContact CE2-CE 3.99Å; F127-M312 HydrophobicContact CZ-CE 3.73Å
128	H	91.2	Very high	87.6	Confident	85 Å²	85	55.5 Å²	55.5	39%	0.394	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	161.6	175.2	62.8	-71.7	0	0	0	110.5	R126 E130 K260 S261 A262	R126-H128 PolarHBondContact O-N 3.09Å; R126-H128 PolarHBondContact O-ND1 2.92Å; H128-E130 IonicContact CE1-OE1 2.8Å; H128-E130 WeakPolarHBondContact NE2-CG 3.42Å; H128-E130 IonicContact NE2-OE1 2.79Å; H128-E130 PolarHBondContact NE2-OE1 3.44Å; H128-E130 VanDerWaalsContact NE2-OE1 3.13Å; H128-K260 PolarHBondContact N-O 3.02Å; H128-K260 PolarHBondContact ND1-O 2.92Å; H128-S261 WeakPolarHBondContact O-CA 3.48Å; H128-S261 VanDerWaalsContact O-CB 3.25Å; H128-S261 WeakPolarHBondContact O-CB 3.2Å; H128-A262 PolarHBondContact O-N 3.17Å; H128-A262 VanDerWaalsContact O-N 3.13Å
129	F	94	Very high	88.4	Confident	16 Å²	16	55 Å²	55	7%	0.07	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	140	170.6	-66.5	-74.1	0	0	0	110	F127 V143 T147 I150 A262 L264 L305 L308	F127-F129 HydrophobicContact CE1-CE1 4.24Å; F127-F129 HydrophobicContact CE1-CE2 4.13Å; F127-F129 AromaticContact CE1-CZ 3.93Å; F127-F129 HydrophobicContact CE1-CZ 3.93Å; F127-F129 HydrophobicContact CZ-CE1 4.17Å; F127-F129 HydrophobicContact CZ-CZ 4.26Å; F129-V143 HydrophobicContact CB-CB 4.29Å; F129-V143 HydrophobicContact CB-CG1 3.69Å; F129-V143 HydrophobicContact CB-CG2 3.69Å; F129-V143 HydrophobicContact CD2-CB 4.35Å; F129-V143 HydrophobicContact CD2-CG1 3.99Å; F129-V143 HydrophobicContact CD2-CG2 4.2Å; F129-V143 HydrophobicContact CG-CG1 4.24Å; F129-V143 HydrophobicContact CG-CG2 4.01Å; F129-T147 VanDerWaalsContact CD2-OG1 3.27Å; F129-T147 WeakPolarHBondContact CD2-OG1 3.47Å; F129-I150 HydrophobicContact CE2-CD1 4.06Å; F129-I150 HydrophobicContact CZ-CD1 3.61Å; F129-A262 WeakPolarHBondContact CA-O 3.14Å; F129-A262 HydrophobicContact CD1-CB 3.68Å; F129-A262 HydrophobicContact CE1-CB 3.74Å; F129-L264 HydrophobicContact CB-CD1 4.19Å; F129-L264 HydrophobicContact CD1-CD1 3.5Å; F129-L264 HydrophobicContact CE1-CD1 4.28Å; F129-L264 HydrophobicContact CG-CD1 4.22Å; F129-L305 HydrophobicContact CD1-CD2 3.77Å; F129-L305 HydrophobicContact CD2-CD2 4.5Å; F129-L305 HydrophobicContact CE1-CD2 3.37Å; F129-L305 HydrophobicContact CE2-CD2 4.18Å; F129-L305 HydrophobicContact CG-CD2 4.32Å; F129-L305 HydrophobicContact CZ-CD2 3.6Å; F129-L308 HydrophobicContact CE1-CD2 3.8Å; F129-L308 HydrophobicContact CZ-CD2 4.35Å
130	E	92	Very high	88.9	Confident	56 Å²	56	56.8 Å²	56.8	26%	0.262	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	138.8	175.8	-66.8	175.6	-146	0	0	108.9	H128 S261 A262 L263 L264	H128-E130 IonicContact CE1-OE1 2.8Å; H128-E130 WeakPolarHBondContact NE2-CG 3.42Å; H128-E130 IonicContact NE2-OE1 2.79Å; H128-E130 PolarHBondContact NE2-OE1 3.44Å; H128-E130 VanDerWaalsContact NE2-OE1 3.13Å; E130-S261 WeakPolarHBondContact OE1-CB 3.37Å; E130-S261 PolarHBondContact OE1-OG 3.23Å; E130-A262 PolarHBondContact N-O 3.3Å; E130-L263 HydrophobicContact CB-CD1 3.72Å; E130-L263 CarbonylContact O-C 3.6Å; E130-L263 WeakPolarHBondContact O-CA 3.34Å; E130-L264 PolarHBondContact O-N 2.84Å
131	F	91.7	Very high	89.1	Confident	66 Å²	66	56.1 Å²	56.1	29%	0.289	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125	172.6	-64.1	-71.7	0	0	0	109.6	T133 L139 Q140 V143 L264	F131-T133 WeakPolarHBondContact CB-O 3.46Å; F131-L139 HydrophobicContact CE1-CB 3.86Å; F131-L139 HydrophobicContact CZ-CB 4.11Å; F131-Q140 HydrophobicContact CE2-CG 4.28Å; F131-Q140 HydrophobicContact CZ-CG 4.46Å; F131-V143 HydrophobicContact CE1-CG2 3.87Å; F131-V143 HydrophobicContact CE2-CG2 4.27Å; F131-V143 HydrophobicContact CZ-CB 4Å; F131-V143 HydrophobicContact CZ-CG1 4.49Å; F131-V143 HydrophobicContact CZ-CG2 3.46Å; F131-V143 VanDerWaalsContact CZ-CG2 3.46Å; F131-L264 HydrophobicContact CD1-CB 4.13Å; F131-L264 HydrophobicContact CE1-CB 4.5Å; F131-L264 HydrophobicContact CE1-CD2 4.07Å
132	H	87.8	Confident	89.4	Confident	56 Å²	56	54.2 Å²	54.2	26%	0.259	26%	0.256	S	S	.	.	S	Bend	trans	-77.1	-34.6	172.8	179.1	-127.8	0	0	0	112	Y246 L248 L263 L264 H265	H132-Y246 PolarHBondContact CE1-O 3.14Å; H132-Y246 PolarHBondContact NE2-O 3.33Å; H132-L248 HydrophobicContact CB-CD2 4.28Å; H132-L248 VanDerWaalsContact ND1-CD2 3.33Å; H132-L248 WeakPolarHBondContact ND1-CD2 3.4Å; H132-L263 HydrophobicContact CB-CD1 3.93Å; H132-L263 HydrophobicContact CB-CD2 4.22Å; H132-L263 HydrophobicContact CB-CG 4.02Å; H132-L264 WeakPolarHBondContact CB-O 3.31Å; H132-L264 PolarHBondContact N-O 3.5Å; H132-H265 HydrophobicContact CB-CB 4.1Å; H132-H265 AromaticContact CE1-ND1 3.98Å; H132-H265 AromaticContact CG-ND1 3.95Å; H132-H265 AromaticContact ND1-CE1 3.59Å; H132-H265 AromaticContact ND1-CG 3.53Å; H132-H265 AromaticContact ND1-ND1 3.03Å; H132-H265 PolarHBondContact ND1-ND1 3.3Å
133	T	81.8	Confident	89.6	Confident	50 Å²	50	54.3 Å²	54.3	31%	0.307	26%	0.256	S	S	.	.	S	Bend	trans	-115.3	178.5	178.8	42.5	0	0	0	0	111.2	F131 S135 H265 V266	F131-T133 WeakPolarHBondContact CB-O 3.46Å; T133-S135 PolarHBondContact O-N 2.9Å; T133-H265 VanDerWaalsContact CG2-CE1 3.45Å; T133-H265 WeakPolarHBondContact CG2-CE1 3.25Å; T133-H265 VanDerWaalsContact CG2-ND1 3.32Å; T133-H265 WeakPolarHBondContact CG2-ND1 3.14Å; T133-V266 PolarHBondContact OG1-N 3.07Å; T133-V266 PolarHBondContact OG1-O 2.91Å
134	I	82.5	Confident	89.7	Confident	140 Å²	140	57.1 Å²	57.1	72%	0.718	27%	0.272	S	S	*	.			trans	-57.6	129.4	174.8	-65.1	161.5	0	0	0	109.2	P269	I134-P269 WeakPolarHBondContact O-CB 3.34Å; I134-P269 WeakPolarHBondContact O-CG 3.43Å
135	S	84.6	Confident	89.8	Confident	31 Å²	31	56.3 Å²	56.3	22%	0.217	27%	0.267	C	S	.	.			trans	-88.6	165.3	172.2	63.8	0	0	0	0	111.1	T133 Q140	T133-S135 PolarHBondContact O-N 2.9Å; S135-Q140 PolarHBondContact OG-NE2 3.43Å
136	N	90.2	Very high	90.1	Very high	30 Å²	30	47 Å²	47	16%	0.16	23%	0.226	C	C	.	.			trans	-119.4	174.3	167.2	63.2	48.1	0	0	0	109.7	I138 L139 Q140 P269 T298	N136-I138 VanDerWaalsContact C-N 3.28Å; N136-I138 PolarHBondContact O-N 3.5Å; N136-I138 WeakPolarHBondContact OD1-CA 3.49Å; N136-I138 VanDerWaalsContact OD1-CB 3.29Å; N136-I138 WeakPolarHBondContact OD1-CB 3.36Å; N136-I138 PolarHBondContact OD1-N 2.75Å; N136-L139 PolarHBondContact O-N 2.99Å; N136-L139 PolarHBondContact OD1-N 3.45Å; N136-Q140 VanDerWaalsContact O-CG 3.3Å; N136-Q140 WeakPolarHBondContact O-CG 3.49Å; N136-Q140 PolarHBondContact O-N 3.15Å; N136-P269 PolarHBondContact ND2-O 2.79Å; N136-T298 PolarHBondContact ND2-OG1 3.12Å
137	E	90.9	Very high	90.2	Very high	75 Å²	75	40.6 Å²	40.6	35%	0.35	20%	0.204	S	C	.	.	H	α-helix	trans	-58.8	-35.3	179.8	64.2	-175.2	-175.5	0	0	113.8	Q140 S141 R413 F414	E137-Q140 PolarHBondContact O-N 3.18Å; E137-S141 WeakPolarHBondContact O-CB 3.4Å; E137-S141 PolarHBondContact O-N 3.47Å; E137-R413 IonicContact OE1-CZ 3.12Å; E137-R413 IonicContact OE1-NH1 2.8Å; E137-R413 PolarHBondContact OE1-NH1 2.77Å; E137-R413 IonicContact OE1-NH2 3.33Å; E137-R413 PolarHBondContact OE1-NH2 3.33Å; E137-F414 HydrophobicContact CB-CE1 4.39Å; E137-F414 HydrophobicContact CG-CE1 4.2Å; E137-F414 HydrophobicContact CG-CZ 4.17Å; E137-F414 WeakPolarHBondContact O-CE1 3.41Å
138	I	92.7	Very high	90	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-65.1	-50.8	179.7	-61.5	167.3	0	0	0	109.3	N136 Q140 S141 A142 T298 W299 L302 F414	N136-I138 VanDerWaalsContact C-N 3.28Å; N136-I138 PolarHBondContact O-N 3.5Å; N136-I138 WeakPolarHBondContact OD1-CA 3.49Å; N136-I138 VanDerWaalsContact OD1-CB 3.29Å; N136-I138 WeakPolarHBondContact OD1-CB 3.36Å; N136-I138 PolarHBondContact OD1-N 2.75Å; I138-Q140 VanDerWaalsContact C-N 3.34Å; I138-Q140 PolarHBondContact O-N 2.91Å; I138-S141 PolarHBondContact O-N 2.73Å; I138-A142 WeakPolarHBondContact O-CB 3.43Å; I138-A142 PolarHBondContact O-N 2.85Å; I138-T298 HydrophobicContact CB-CG2 4.08Å; I138-T298 HydrophobicContact CG2-CG2 3.78Å; I138-W299 HydrophobicContact CD1-CH2 3.72Å; I138-W299 HydrophobicContact CD1-CZ3 4.01Å; I138-W299 HydrophobicContact CG2-CZ3 4.42Å; I138-L302 HydrophobicContact CG2-CD1 4.08Å; I138-L302 HydrophobicContact CG2-CD2 4.25Å; I138-F414 HydrophobicContact CB-CD1 4.41Å; I138-F414 HydrophobicContact CG1-CD1 4.28Å; I138-F414 HydrophobicContact CG1-CE1 4.34Å
139	L	93.3	Very high	89.8	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-40.9	178.2	-71.8	175.7	0	0	0	111.7	F131 N136 A142 V143 V266 P269 T298 A301	F131-L139 HydrophobicContact CE1-CB 3.86Å; F131-L139 HydrophobicContact CZ-CB 4.11Å; N136-L139 PolarHBondContact O-N 2.99Å; N136-L139 PolarHBondContact OD1-N 3.45Å; L139-A142 PolarHBondContact O-N 3.2Å; L139-V143 WeakPolarHBondContact O-CB 3.42Å; L139-V143 WeakPolarHBondContact O-CG2 3.46Å; L139-V143 PolarHBondContact O-N 3.4Å; L139-V266 HydrophobicContact CD1-CB 4.38Å; L139-V266 HydrophobicContact CD1-CG2 3.85Å; L139-V266 HydrophobicContact CD2-CG2 4.38Å; L139-P269 HydrophobicContact CD1-CB 4.49Å; L139-T298 HydrophobicContact CD2-CG2 3.83Å; L139-T298 HydrophobicContact CG-CG2 3.81Å; L139-A301 HydrophobicContact CD2-CB 3.78Å
140	Q	92	Very high	89.5	Confident	83 Å²	83	40.4 Å²	40.4	39%	0.388	20%	0.201	S	C	.	.	H	α-helix	trans	-63.7	-43.8	176	-71.1	173.3	14.5	0	0	111.7	F131 S135 N136 E137 I138 V143 N144	F131-Q140 HydrophobicContact CE2-CG 4.28Å; F131-Q140 HydrophobicContact CZ-CG 4.46Å; S135-Q140 PolarHBondContact OG-NE2 3.43Å; N136-Q140 VanDerWaalsContact O-CG 3.3Å; N136-Q140 WeakPolarHBondContact O-CG 3.49Å; N136-Q140 PolarHBondContact O-N 3.15Å; E137-Q140 PolarHBondContact O-N 3.18Å; I138-Q140 VanDerWaalsContact C-N 3.34Å; I138-Q140 PolarHBondContact O-N 2.91Å; Q140-V143 PolarHBondContact O-N 3.38Å; Q140-N144 VanDerWaalsContact O-CG 3.24Å; Q140-N144 PolarHBondContact O-N 2.92Å; Q140-N144 PolarHBondContact O-ND2 3.22Å
141	S	90.4	Very high	89.2	Confident	7 Å²	7	42.1 Å²	42.1	5%	0.049	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-44.6	175.8	-153.8	0	0	0	0	111.3	E137 I138 N144 R145 F414 E704	E137-S141 WeakPolarHBondContact O-CB 3.4Å; E137-S141 PolarHBondContact O-N 3.47Å; I138-S141 PolarHBondContact O-N 2.73Å; S141-N144 PolarHBondContact O-N 3.33Å; S141-R145 PolarHBondContact O-N 3.1Å; S141-F414 VanDerWaalsContact CB-CD1 3.49Å; S141-E704 PolarHBondContact OG-OE1 3.38Å
142	A	92.9	Very high	88.9	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.5	-46.7	178.1	0	0	0	0	0	112.1	I138 L139 N144 R145 Y146 L302 L305	I138-A142 WeakPolarHBondContact O-CB 3.43Å; I138-A142 PolarHBondContact O-N 2.85Å; L139-A142 PolarHBondContact O-N 3.2Å; A142-N144 VanDerWaalsContact C-N 3.32Å; A142-N144 PolarHBondContact O-N 3.01Å; A142-R145 PolarHBondContact O-N 2.95Å; A142-Y146 HydrophobicContact CB-CD2 4.46Å; A142-Y146 WeakPolarHBondContact O-CD2 3.16Å; A142-Y146 PolarHBondContact O-N 2.95Å; A142-L302 HydrophobicContact CB-CD2 3.26Å; A142-L305 HydrophobicContact CB-CD1 3.97Å
143	V	93.4	Very high	88.8	Confident	11 Å²	11	41.6 Å²	41.6	7%	0.067	21%	0.209	C	C	.	.	H	α-helix	trans	-56.8	-46.1	175.5	153.1	0	0	0	0	111.2	F129 F131 L139 Q140 R145 Y146 T147 L264 L305	F129-V143 HydrophobicContact CB-CB 4.29Å; F129-V143 HydrophobicContact CB-CG1 3.69Å; F129-V143 HydrophobicContact CB-CG2 3.69Å; F129-V143 HydrophobicContact CD2-CB 4.35Å; F129-V143 HydrophobicContact CD2-CG1 3.99Å; F129-V143 HydrophobicContact CD2-CG2 4.2Å; F129-V143 HydrophobicContact CG-CG1 4.24Å; F129-V143 HydrophobicContact CG-CG2 4.01Å; F131-V143 HydrophobicContact CE1-CG2 3.87Å; F131-V143 HydrophobicContact CE2-CG2 4.27Å; F131-V143 HydrophobicContact CZ-CB 4Å; F131-V143 HydrophobicContact CZ-CG1 4.49Å; F131-V143 HydrophobicContact CZ-CG2 3.46Å; F131-V143 VanDerWaalsContact CZ-CG2 3.46Å; L139-V143 WeakPolarHBondContact O-CB 3.42Å; L139-V143 WeakPolarHBondContact O-CG2 3.46Å; L139-V143 PolarHBondContact O-N 3.4Å; Q140-V143 PolarHBondContact O-N 3.38Å; V143-R145 VanDerWaalsContact C-N 3.35Å; V143-R145 PolarHBondContact O-N 3.47Å; V143-Y146 PolarHBondContact O-N 2.85Å; V143-T147 VanDerWaalsContact O-CB 3.3Å; V143-T147 WeakPolarHBondContact O-CB 3.29Å; V143-T147 PolarHBondContact O-N 3.02Å; V143-T147 PolarHBondContact O-OG1 3.02Å; V143-L264 HydrophobicContact CG2-CD2 4.01Å; V143-L305 HydrophobicContact CG2-CD1 4.43Å
144	N	89.9	Confident	88.9	Confident	97 Å²	97	39.5 Å²	39.5	52%	0.519	20%	0.196	S	C	.	.	H	α-helix	trans	-60.2	-45.4	177.3	-69.6	-18.3	0	0	0	111.7	Q140 S141 A142 T147 Y148	Q140-N144 VanDerWaalsContact O-CG 3.24Å; Q140-N144 PolarHBondContact O-N 2.92Å; Q140-N144 PolarHBondContact O-ND2 3.22Å; S141-N144 PolarHBondContact O-N 3.33Å; A142-N144 VanDerWaalsContact C-N 3.32Å; A142-N144 PolarHBondContact O-N 3.01Å; N144-T147 PolarHBondContact O-N 3.11Å; N144-Y148 WeakPolarHBondContact O-CB 3.34Å; N144-Y148 PolarHBondContact O-N 3.19Å
145	R	89.7	Confident	89	Confident	16 Å²	16	33 Å²	33	6%	0.06	16%	0.163	C	C	.	.	H	α-helix	trans	-60.3	-49.5	177.5	-178.8	171.8	61	-108.1	6.8	111.7	S141 A142 V143 Y148 M149 R415 E704	S141-R145 PolarHBondContact O-N 3.1Å; A142-R145 PolarHBondContact O-N 2.95Å; V143-R145 VanDerWaalsContact C-N 3.35Å; V143-R145 PolarHBondContact O-N 3.47Å; R145-Y148 WeakPolarHBondContact O-CB 3.17Å; R145-Y148 PolarHBondContact O-N 2.93Å; R145-M149 HydrophobicContact CG-CE 3.57Å; R145-M149 HydrophobicContact CG-SD 4.29Å; R145-M149 WeakPolarHBondContact O-CG 3.22Å; R145-M149 PolarHBondContact O-N 3.49Å; R145-R415 VanDerWaalsContact NH1-NH1 3.18Å; R145-E704 WeakPolarHBondContact CD-OE2 3.2Å; R145-E704 IonicContact NH1-OE1 3.9Å; R145-E704 PolarHBondContact NH1-OE1 2.59Å; R145-E704 IonicContact NH1-OE2 3.13Å
146	Y	92.1	Very high	89	Confident	4 Å²	4	32 Å²	32	2%	0.016	15%	0.154	C	C	.	.	H	α-helix	trans	-70.8	-33.1	-179.8	-76.6	-67.7	0	0	0	113.1	A142 V143 Y148 M149 I150 L305 E306	A142-Y146 HydrophobicContact CB-CD2 4.46Å; A142-Y146 WeakPolarHBondContact O-CD2 3.16Å; A142-Y146 PolarHBondContact O-N 2.95Å; V143-Y146 PolarHBondContact O-N 2.85Å; Y146-Y148 VanDerWaalsContact C-N 3.34Å; Y146-M149 HydrophobicContact CD1-SD 4.02Å; Y146-M149 HydrophobicContact CE1-SD 4.06Å; Y146-M149 PolarHBondContact O-N 3.35Å; Y146-I150 VanDerWaalsContact O-CB 3.3Å; Y146-I150 WeakPolarHBondContact O-CB 3.08Å; Y146-I150 VanDerWaalsContact O-CG1 3.24Å; Y146-I150 WeakPolarHBondContact O-CG1 3.43Å; Y146-I150 PolarHBondContact O-N 3.29Å; Y146-L305 HydrophobicContact CD2-CB 3.49Å; Y146-L305 VanDerWaalsContact CD2-CB 3.49Å; Y146-L305 HydrophobicContact CD2-CD1 3.88Å; Y146-L305 HydrophobicContact CD2-CD2 4.47Å; Y146-L305 HydrophobicContact CD2-CG 4.17Å; Y146-L305 HydrophobicContact CE2-CB 3.6Å; Y146-L305 HydrophobicContact CE2-CD1 4.32Å; Y146-L305 HydrophobicContact CG-CB 4.01Å; Y146-E306 HydrophobicContact CE1-CB 4.29Å; Y146-E306 WeakPolarHBondContact CE1-OE2 3.28Å; Y146-E306 VanDerWaalsContact CZ-OE2 3.31Å; Y146-E306 WeakPolarHBondContact OH-CA 3.4Å; Y146-E306 VanDerWaalsContact OH-CB 3.29Å; Y146-E306 WeakPolarHBondContact OH-CB 3.38Å; Y146-E306 PolarHBondContact OH-OE2 3.04Å
147	T	90	Very high	88.5	Confident	23 Å²	23	30.9 Å²	30.9	14%	0.141	15%	0.149	C	C	.	.	H	α-helix	trans	-60.3	-47.2	170.9	-70.2	0	0	0	0	110	F129 V143 N144 I150 Q151	F129-T147 VanDerWaalsContact CD2-OG1 3.27Å; F129-T147 WeakPolarHBondContact CD2-OG1 3.47Å; V143-T147 VanDerWaalsContact O-CB 3.3Å; V143-T147 WeakPolarHBondContact O-CB 3.29Å; V143-T147 PolarHBondContact O-N 3.02Å; V143-T147 PolarHBondContact O-OG1 3.02Å; N144-T147 PolarHBondContact O-N 3.11Å; T147-I150 PolarHBondContact O-N 3Å; T147-Q151 HydrophobicContact CG2-CG 4.22Å; T147-Q151 VanDerWaalsContact O-CB 3.32Å; T147-Q151 WeakPolarHBondContact O-CB 3.33Å; T147-Q151 VanDerWaalsContact O-CG 3.25Å; T147-Q151 WeakPolarHBondContact O-CG 3.4Å; T147-Q151 PolarHBondContact O-N 3.26Å
148	Y	86.2	Confident	87.6	Confident	91 Å²	91	28.5 Å²	28.5	36%	0.357	14%	0.14	S	C	.	.	H	α-helix	trans	-60.5	-47.5	176.9	179.1	-93.9	0	0	0	112	N144 R145 Y146 I150 Q151 N152 L154 I700	N144-Y148 WeakPolarHBondContact O-CB 3.34Å; N144-Y148 PolarHBondContact O-N 3.19Å; R145-Y148 WeakPolarHBondContact O-CB 3.17Å; R145-Y148 PolarHBondContact O-N 2.93Å; Y146-Y148 VanDerWaalsContact C-N 3.34Å; Y148-I150 VanDerWaalsContact C-N 3.34Å; Y148-I150 PolarHBondContact O-N 3.2Å; Y148-Q151 PolarHBondContact O-N 3.09Å; Y148-N152 VanDerWaalsContact CD2-ND2 3.32Å; Y148-N152 WeakPolarHBondContact CD2-ND2 3.35Å; Y148-N152 WeakPolarHBondContact CE2-ND2 3.38Å; Y148-N152 WeakPolarHBondContact O-CB 3.21Å; Y148-N152 PolarHBondContact O-N 3.32Å; Y148-N152 PolarHBondContact O-ND2 3.36Å; Y148-L154 HydrophobicContact CD1-CD1 4.07Å; Y148-L154 HydrophobicContact CE1-CD1 3.7Å; Y148-I700 HydrophobicContact CE1-CD1 4.02Å; Y148-I700 HydrophobicContact CE1-CG2 4.11Å; Y148-I700 WeakPolarHBondContact OH-CD1 3.48Å
149	M	86.9	Confident	86.3	Confident	10 Å²	10	29.7 Å²	29.7	5%	0.049	14%	0.144	C	C	.	.	H	α-helix	trans	-59.2	-44.8	177.9	-73	174.9	-177.9	0	0	112.2	R145 Y146 K153 L154 Y362	R145-M149 HydrophobicContact CG-CE 3.57Å; R145-M149 HydrophobicContact CG-SD 4.29Å; R145-M149 WeakPolarHBondContact O-CG 3.22Å; R145-M149 PolarHBondContact O-N 3.49Å; Y146-M149 HydrophobicContact CD1-SD 4.02Å; Y146-M149 HydrophobicContact CE1-SD 4.06Å; Y146-M149 PolarHBondContact O-N 3.35Å; M149-K153 WeakPolarHBondContact O-CA 3.37Å; M149-K153 PolarHBondContact O-N 3.31Å; M149-L154 HydrophobicContact CB-CB 4.39Å; M149-L154 HydrophobicContact CG-CB 4.48Å; M149-L154 HydrophobicContact CG-CD1 4.34Å; M149-L154 PolarHBondContact O-N 2.61Å; M149-Y362 HydrophobicContact CE-CE1 3.58Å; M149-Y362 WeakPolarHBondContact CE-OH 3.43Å; M149-Y362 HydrophobicContact SD-CE1 4.27Å
150	I	88.2	Confident	84.7	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.2	-50.9	-179.1	-72.7	169.5	0	0	0	110	M124 F127 F129 Y146 T147 Y148 N152 K153 F156 M312	M124-I150 VanDerWaalsContact CE-C 3.44Å; M124-I150 HydrophobicContact CE-CG2 3.55Å; M124-I150 WeakPolarHBondContact CE-O 3.42Å; M124-I150 HydrophobicContact SD-CG2 4.33Å; F127-I150 HydrophobicContact CD1-CD1 4.47Å; F127-I150 HydrophobicContact CD1-CG2 3.63Å; F127-I150 HydrophobicContact CE1-CD1 3.67Å; F127-I150 HydrophobicContact CE1-CG2 3.88Å; F127-I150 HydrophobicContact CG-CG2 4.39Å; F127-I150 HydrophobicContact CZ-CD1 4.28Å; F129-I150 HydrophobicContact CE2-CD1 4.06Å; F129-I150 HydrophobicContact CZ-CD1 3.61Å; Y146-I150 VanDerWaalsContact O-CB 3.3Å; Y146-I150 WeakPolarHBondContact O-CB 3.08Å; Y146-I150 VanDerWaalsContact O-CG1 3.24Å; Y146-I150 WeakPolarHBondContact O-CG1 3.43Å; Y146-I150 PolarHBondContact O-N 3.29Å; T147-I150 PolarHBondContact O-N 3Å; Y148-I150 VanDerWaalsContact C-N 3.34Å; Y148-I150 PolarHBondContact O-N 3.2Å; I150-N152 PolarHBondContact O-N 2.79Å; I150-K153 PolarHBondContact O-N 3.28Å; I150-F156 HydrophobicContact CB-CZ 4.22Å; I150-F156 HydrophobicContact CG1-CE1 4.4Å; I150-F156 HydrophobicContact CG1-CZ 4.19Å; I150-F156 HydrophobicContact CG2-CZ 4.19Å; I150-M312 HydrophobicContact CB-SD 4.39Å; I150-M312 HydrophobicContact CD1-CE 3.98Å; I150-M312 HydrophobicContact CD1-SD 3.9Å; I150-M312 HydrophobicContact CG1-SD 3.85Å; I150-M312 HydrophobicContact CG2-CE 4.36Å; I150-M312 HydrophobicContact CG2-SD 3.7Å
151	Q	86	Confident	82.7	Confident	92 Å²	92	33.6 Å²	33.6	43%	0.43	16%	0.163	S	C	.	.	H	α-helix	trans	-58.2	-36.1	-179.9	-74	176.5	-11.4	0	0	113.1	T147 Y148	T147-Q151 HydrophobicContact CG2-CG 4.22Å; T147-Q151 VanDerWaalsContact O-CB 3.32Å; T147-Q151 WeakPolarHBondContact O-CB 3.33Å; T147-Q151 VanDerWaalsContact O-CG 3.25Å; T147-Q151 WeakPolarHBondContact O-CG 3.4Å; T147-Q151 PolarHBondContact O-N 3.26Å; Y148-Q151 PolarHBondContact O-N 3.09Å
152	N	84.9	Confident	80.7	Confident	63 Å²	63	36.6 Å²	36.6	34%	0.337	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	1.3	177.1	-65.5	-78.9	0	0	0	113.7	Y148 I150 L154	Y148-N152 VanDerWaalsContact CD2-ND2 3.32Å; Y148-N152 WeakPolarHBondContact CD2-ND2 3.35Å; Y148-N152 WeakPolarHBondContact CE2-ND2 3.38Å; Y148-N152 WeakPolarHBondContact O-CB 3.21Å; Y148-N152 PolarHBondContact O-N 3.32Å; Y148-N152 PolarHBondContact O-ND2 3.36Å; I150-N152 PolarHBondContact O-N 2.79Å; N152-L154 VanDerWaalsContact C-N 3.27Å; N152-L154 HydrophobicContact CB-CD1 4.3Å; N152-L154 HydrophobicContact CB-CD2 3.81Å; N152-L154 HydrophobicContact CB-CG 3.78Å; N152-L154 PolarHBondContact O-N 3.19Å
153	K	85.5	Confident	78.4	Confident	47 Å²	47	40.9 Å²	40.9	20%	0.204	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	37.8	177.3	-53	163	-164.7	155.8	0	112.8	M149 I150 G155 F156 Q318 V321	M149-K153 WeakPolarHBondContact O-CA 3.37Å; M149-K153 PolarHBondContact O-N 3.31Å; I150-K153 PolarHBondContact O-N 3.28Å; K153-G155 PolarHBondContact O-N 2.98Å; K153-G155 VanDerWaalsContact O-N 3.07Å; K153-F156 HydrophobicContact CB-CD2 3.82Å; K153-F156 HydrophobicContact CB-CE2 4.08Å; K153-F156 HydrophobicContact CB-CG 4.06Å; K153-F156 HydrophobicContact CG-CD2 4.05Å; K153-F156 HydrophobicContact CG-CE2 3.97Å; K153-F156 PolarHBondContact O-N 3.25Å; K153-Q318 HydrophobicContact CD-CB 4Å; K153-Q318 PolarHBondContact NZ-O 3.37Å; K153-V321 HydrophobicContact CD-CG2 4.15Å; K153-V321 HydrophobicContact CG-CG2 4.06Å
154	L	85.1	Confident	76.1	Confident	7 Å²	7	42.4 Å²	42.4	4%	0.037	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	101.3	-172.7	-58.2	-172.6	0	0	0	111.6	Y148 M149 N152 R673 M692	Y148-L154 HydrophobicContact CD1-CD1 4.07Å; Y148-L154 HydrophobicContact CE1-CD1 3.7Å; M149-L154 HydrophobicContact CB-CB 4.39Å; M149-L154 HydrophobicContact CG-CB 4.48Å; M149-L154 HydrophobicContact CG-CD1 4.34Å; M149-L154 PolarHBondContact O-N 2.61Å; N152-L154 VanDerWaalsContact C-N 3.27Å; N152-L154 HydrophobicContact CB-CD1 4.3Å; N152-L154 HydrophobicContact CB-CD2 3.81Å; N152-L154 HydrophobicContact CB-CG 3.78Å; N152-L154 PolarHBondContact O-N 3.19Å; L154-R673 HydrophobicContact CB-CG 4.15Å; L154-R673 PolarHBondContact O-NE 3.49Å; L154-M692 HydrophobicContact CD1-CE 4.47Å; L154-M692 HydrophobicContact CD2-CE 4.26Å; L154-M692 HydrophobicContact CD2-SD 3.32Å; L154-M692 WeakPolarHBondContact CD2-SD 3.29Å
155	G	83.2	Confident	74	Confident	2 Å²	2	45.8 Å²	45.8	2%	0.021	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	26.4	177.3	0	0	0	0	0	114.4	K153 R669	K153-G155 PolarHBondContact O-N 2.98Å; K153-G155 VanDerWaalsContact O-N 3.07Å; G155-R669 WeakPolarHBondContact O-CG 3.05Å; G155-R669 PolarHBondContact O-NE 2.85Å
156	F	85.8	Confident	72	Confident	10 Å²	10	49.3 Å²	49.3	4%	0.044	24%	0.236	C	C	.	.			trans	-70.7	143.3	171.8	-74.7	18.6	0	0	0	110.2	I150 K153 M312 T314 V321	I150-F156 HydrophobicContact CB-CZ 4.22Å; I150-F156 HydrophobicContact CG1-CE1 4.4Å; I150-F156 HydrophobicContact CG1-CZ 4.19Å; I150-F156 HydrophobicContact CG2-CZ 4.19Å; K153-F156 HydrophobicContact CB-CD2 3.82Å; K153-F156 HydrophobicContact CB-CE2 4.08Å; K153-F156 HydrophobicContact CB-CG 4.06Å; K153-F156 HydrophobicContact CG-CD2 4.05Å; K153-F156 HydrophobicContact CG-CE2 3.97Å; K153-F156 PolarHBondContact O-N 3.25Å; F156-M312 HydrophobicContact CD1-CB 4.45Å; F156-M312 HydrophobicContact CD2-CB 4.18Å; F156-M312 HydrophobicContact CE1-CB 4.06Å; F156-M312 HydrophobicContact CE2-CB 3.77Å; F156-M312 HydrophobicContact CE2-SD 4.41Å; F156-M312 HydrophobicContact CZ-CB 3.68Å; F156-M312 HydrophobicContact CZ-CG 4.42Å; F156-M312 HydrophobicContact CZ-SD 3.9Å; F156-T314 HydrophobicContact CB-CG2 4.03Å; F156-V321 HydrophobicContact CD2-CG1 4.14Å; F156-V321 HydrophobicContact CD2-CG2 4.1Å; F156-V321 HydrophobicContact CE2-CB 4.29Å; F156-V321 HydrophobicContact CE2-CG1 3.51Å; F156-V321 HydrophobicContact CE2-CG2 3.74Å; F156-V321 HydrophobicContact CZ-CG1 4.45Å
157	S	80.2	Confident	69.7	Low	7 Å²	7	51 Å²	51	5%	0.049	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	136.4	171.2	-22.2	0	0	0	0	109.3	G104 W313 T314 E665	G104-S157 VanDerWaalsContact CA-OG 3.3Å; G104-S157 WeakPolarHBondContact CA-OG 3.29Å; G104-S157 PolarHBondContact N-OG 3.19Å; S157-W313 WeakPolarHBondContact O-CA 3.48Å; S157-W313 WeakPolarHBondContact O-CB 3.18Å; S157-T314 PolarHBondContact O-N 3.42Å; S157-E665 VanDerWaalsContact CB-OE1 3.28Å; S157-E665 WeakPolarHBondContact CB-OE1 3.35Å; S157-E665 VanDerWaalsContact OG-CD 3.25Å; S157-E665 PolarHBondContact OG-OE1 3.26Å
158	V	72.2	Confident	67.6	Low	26 Å²	26	58.3 Å²	58.3	16%	0.158	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	130.9	-179	-175.5	0	0	0	0	110.3	P160 T314 K316 D687	V158-P160 VanDerWaalsContact O-CD 3.27Å; V158-P160 WeakPolarHBondContact O-CD 3.19Å; V158-T314 CarbonylContact C-O 3.51Å; V158-T314 WeakPolarHBondContact CA-O 3.22Å; V158-T314 HydrophobicContact CG2-CG2 3.99Å; V158-K316 HydrophobicContact CG1-CB 4.41Å; V158-D687 HydrophobicContact CG2-CB 4.08Å
159	Y	64.7	Low	65.7	Low	26 Å²	26	58.1 Å²	58.1	10%	0.102	28%	0.279	C	S	.	.			trans	-63.4	115.6	173.5	-164.8	-84.5	0	0	0	110.7	F103 W163 Q164 L170 T314	F103-Y159 HydrophobicContact CD1-CD2 4.26Å; F103-Y159 AromaticContact CE1-CD2 3.41Å; F103-Y159 HydrophobicContact CE1-CD2 3.41Å; F103-Y159 VanDerWaalsContact CE1-CD2 3.41Å; F103-Y159 AromaticContact CE1-CE2 3.55Å; F103-Y159 HydrophobicContact CE1-CE2 3.55Å; F103-Y159 HydrophobicContact CE1-CG 4.48Å; F103-Y159 HydrophobicContact CZ-CD2 4.21Å; F103-Y159 AromaticContact CZ-CE2 3.88Å; F103-Y159 HydrophobicContact CZ-CE2 3.88Å; Y159-W163 HydrophobicContact CE1-CB 3.91Å; Y159-W163 PolarHBondContact OH-O 2.91Å; Y159-Q164 HydrophobicContact CD1-CG 4.36Å; Y159-Q164 HydrophobicContact CE1-CG 4.32Å; Y159-L170 HydrophobicContact CE2-CD1 4.18Å; Y159-T314 PolarHBondContact N-O 3.46Å
160	P	59.8	Low	63.8	Low	29 Å²	29	58.9 Å²	58.9	19%	0.188	28%	0.283	C	S	.	.			trans	-73.1	149	-172.6	-14.1	27.8	0	0	0	113.4	P101 V158 V162 W163	P101-P160 HydrophobicContact CB-CG 3.9Å; P101-P160 HydrophobicContact CG-CG 3.85Å; V158-P160 VanDerWaalsContact O-CD 3.27Å; V158-P160 WeakPolarHBondContact O-CD 3.19Å; P160-V162 PolarHBondContact O-N 3.26Å; P160-W163 PolarHBondContact O-N 3.27Å
161	K	48.9	Very low	61.7	Low	137 Å²	137	62.4 Å²	62.4	60%	0.596	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-55.7	-35	179.5	-157.1	-167.1	178	-173.8	0	113.7	W163 Q164	K161-W163 PolarHBondContact O-N 2.74Å; K161-Q164 VanDerWaalsContact O-CB 3.24Å; K161-Q164 WeakPolarHBondContact O-CB 3.34Å; K161-Q164 VanDerWaalsContact O-CG 3.28Å; K161-Q164 WeakPolarHBondContact O-CG 3.33Å; K161-Q164 PolarHBondContact O-N 2.94Å
162	V	48.2	Very low	59.5	Low	70 Å²	70	61.4 Å²	61.4	42%	0.424	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-67.4	-25.8	-173.2	-173.7	0	0	0	0	112.1	W83 P160	W83-V162 HydrophobicContact CZ2-CG1 4.4Å; P160-V162 PolarHBondContact O-N 3.26Å
163	W	45.1	Very low	57.2	Low	90 Å²	90	62.5 Å²	62.5	34%	0.341	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-96	7.9	179.8	-60.3	103.1	0	0	0	112.9	P99 Y100 Y159 P160 K161 H165	P99-W163 PolarHBondContact O-NE1 3.41Å; Y100-W163 AromaticContact CD1-CH2 3.69Å; Y100-W163 HydrophobicContact CD1-CH2 3.69Å; Y100-W163 AromaticContact CD1-CZ2 3.46Å; Y100-W163 HydrophobicContact CD1-CZ2 3.46Å; Y100-W163 VanDerWaalsContact CD1-CZ2 3.46Å; Y100-W163 AromaticContact CE1-CH2 3.29Å; Y100-W163 HydrophobicContact CE1-CH2 3.29Å; Y100-W163 AromaticContact CE1-CZ2 3.48Å; Y100-W163 HydrophobicContact CE1-CZ2 3.48Å; Y100-W163 VanDerWaalsContact CE1-CZ2 3.48Å; Y100-W163 HydrophobicContact CE1-CZ3 4.24Å; Y100-W163 HydrophobicContact CG-CZ2 4.46Å; Y159-W163 HydrophobicContact CE1-CB 3.91Å; Y159-W163 PolarHBondContact OH-O 2.91Å; P160-W163 PolarHBondContact O-N 3.27Å; K161-W163 PolarHBondContact O-N 2.74Å; W163-H165 VanDerWaalsContact C-N 3.26Å; W163-H165 PolarHBondContact O-N 3.34Å
164	Q	45.8	Very low	54.9	Low	43 Å²	43	64.2 Å²	64.2	20%	0.201	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-75.9	-0.8	-175.5	-68.7	-177.5	-28	0	0	114.9	Y159 K161 N166 E167	Y159-Q164 HydrophobicContact CD1-CG 4.36Å; Y159-Q164 HydrophobicContact CE1-CG 4.32Å; K161-Q164 VanDerWaalsContact O-CB 3.24Å; K161-Q164 WeakPolarHBondContact O-CB 3.34Å; K161-Q164 VanDerWaalsContact O-CG 3.28Å; K161-Q164 WeakPolarHBondContact O-CG 3.33Å; K161-Q164 PolarHBondContact O-N 2.94Å; Q164-N166 PolarHBondContact O-N 3.19Å; Q164-E167 HydrophobicContact CB-CB 4.26Å; Q164-E167 HydrophobicContact CB-CG 3.96Å; Q164-E167 HydrophobicContact CG-CG 3.76Å; Q164-E167 WeakPolarHBondContact CG-OE1 3.38Å; Q164-E167 PolarHBondContact NE2-OE1 3.03Å; Q164-E167 PolarHBondContact NE2-OE2 2.98Å; Q164-E167 PolarHBondContact O-N 3.38Å
165	H	46.1	Very low	52.5	Low	168 Å²	168	67.1 Å²	67.1	78%	0.778	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-55.2	-20	170.5	-69.9	-63.7	0	0	0	112	W163	W163-H165 VanDerWaalsContact C-N 3.26Å; W163-H165 PolarHBondContact O-N 3.34Å
166	N	46.2	Very low	50.6	Low	90 Å²	90	72.5 Å²	72.5	48%	0.481	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-104.4	7.9	172.1	-84.7	-25.9	0	0	0	116	Q164 K168 N169 L170	Q164-N166 PolarHBondContact O-N 3.19Å; N166-K168 PolarHBondContact O-N 3.37Å; N166-N169 HydrophobicContact CB-CB 4.46Å; N166-N169 WeakPolarHBondContact O-CA 3.29Å; N166-N169 WeakPolarHBondContact O-CB 3.45Å; N166-N169 PolarHBondContact O-N 3.49Å; N166-N169 PolarHBondContact OD1-ND2 3.32Å; N166-L170 PolarHBondContact O-N 3.12Å
167	E	45	Very low	48.2	Very low	41 Å²	41	77 Å²	77	19%	0.192	39%	0.386	C	S	.	.	H	α-helix	trans	-59	-40	175.9	-100.2	-174.1	177	0	0	111.3	Q164 N169 L170 F171	Q164-E167 HydrophobicContact CB-CB 4.26Å; Q164-E167 HydrophobicContact CB-CG 3.96Å; Q164-E167 HydrophobicContact CG-CG 3.76Å; Q164-E167 WeakPolarHBondContact CG-OE1 3.38Å; Q164-E167 PolarHBondContact NE2-OE1 3.03Å; Q164-E167 PolarHBondContact NE2-OE2 2.98Å; Q164-E167 PolarHBondContact O-N 3.38Å; E167-N169 PolarHBondContact O-N 3.38Å; E167-L170 WeakPolarHBondContact O-CA 3.25Å; E167-L170 WeakPolarHBondContact O-CB 3.47Å; E167-L170 PolarHBondContact O-N 2.89Å; E167-F171 HydrophobicContact CB-CD2 4.21Å; E167-F171 HydrophobicContact CB-CE2 4.14Å; E167-F171 HydrophobicContact CG-CE2 4.04Å; E167-F171 WeakPolarHBondContact O-CD2 3.47Å; E167-F171 PolarHBondContact O-N 3.06Å
168	K	45.6	Very low	46.1	Very low	176 Å²	176	80.3 Å²	80.3	77%	0.765	40%	0.398	S	S	*	.	H	α-helix	trans	-58.6	-28	173	-78.5	-174	179.3	178.8	0	112.7	N166 S172	N166-K168 PolarHBondContact O-N 3.37Å; K168-S172 WeakPolarHBondContact O-CA 3.45Å; K168-S172 WeakPolarHBondContact O-CB 3.39Å; K168-S172 PolarHBondContact O-N 3.25Å; K168-S172 PolarHBondContact O-OG 2.85Å
169	N	46.7	Very low	44.6	Very low	86 Å²	86	83.1 Å²	83.1	46%	0.46	41%	0.409	S	S	.	.	H	α-helix	trans	-81.9	-31.5	174.5	-71	-27.7	0	0	0	112.6	N166 E167 F171 S172 H173	N166-N169 HydrophobicContact CB-CB 4.46Å; N166-N169 WeakPolarHBondContact O-CA 3.29Å; N166-N169 WeakPolarHBondContact O-CB 3.45Å; N166-N169 PolarHBondContact O-N 3.49Å; N166-N169 PolarHBondContact OD1-ND2 3.32Å; E167-N169 PolarHBondContact O-N 3.38Å; N169-F171 VanDerWaalsContact C-N 3.31Å; N169-S172 WeakPolarHBondContact CA-OG 3.26Å; N169-H173 PolarHBondContact O-CD2 3.11Å
170	L	46.9	Very low	43.5	Very low	26 Å²	26	84.3 Å²	84.3	14%	0.136	42%	0.421	C	S	.	.	H	α-helix	trans	-61.2	-42.7	166.1	-93.9	118.4	0	0	0	110.8	Y159 N166 E167 F174 W313	Y159-L170 HydrophobicContact CE2-CD1 4.18Å; N166-L170 PolarHBondContact O-N 3.12Å; E167-L170 WeakPolarHBondContact O-CA 3.25Å; E167-L170 WeakPolarHBondContact O-CB 3.47Å; E167-L170 PolarHBondContact O-N 2.89Å; L170-F174 WeakPolarHBondContact O-CD2 3.27Å; L170-F174 WeakPolarHBondContact O-CE2 3.25Å; L170-W313 HydrophobicContact CD2-CH2 4.36Å
171	F	43.3	Very low	42.6	Very low	75 Å²	75	85.1 Å²	85.1	33%	0.329	43%	0.426	S	S	.	.	H	α-helix	trans	-88.6	-31.1	-174.8	-65.5	-65.9	0	0	0	115.4	E167 N169 H173 F174 I315	E167-F171 HydrophobicContact CB-CD2 4.21Å; E167-F171 HydrophobicContact CB-CE2 4.14Å; E167-F171 HydrophobicContact CG-CE2 4.04Å; E167-F171 WeakPolarHBondContact O-CD2 3.47Å; E167-F171 PolarHBondContact O-N 3.06Å; N169-F171 VanDerWaalsContact C-N 3.31Å; F171-H173 PolarHBondContact O-N 3.29Å; F171-H173 VanDerWaalsContact O-N 3.08Å; F171-F174 HydrophobicContact CB-CD2 4.46Å; F171-F174 AromaticContact CD1-CD2 3.95Å; F171-F174 HydrophobicContact CD1-CD2 3.95Å; F171-F174 AromaticContact CD1-CE2 3.53Å; F171-F174 HydrophobicContact CD1-CE2 3.53Å; F171-F174 HydrophobicContact CD1-CZ 4.23Å; F171-F174 HydrophobicContact CE1-CE2 4.07Å; F171-F174 HydrophobicContact CE1-CZ 4.4Å; F171-F174 HydrophobicContact CG-CE2 4.44Å; F171-F174 PolarHBondContact O-N 2.93Å; F171-I315 HydrophobicContact CE1-CD1 3.86Å; F171-I315 HydrophobicContact CZ-CD1 3.47Å; F171-I315 VanDerWaalsContact CZ-CD1 3.47Å
172	S	41	Very low	42.6	Very low	71 Å²	71	80.8 Å²	80.8	50%	0.497	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-16	178.5	63.2	0	0	0	0	112.5	K168 N169	K168-S172 WeakPolarHBondContact O-CA 3.45Å; K168-S172 WeakPolarHBondContact O-CB 3.39Å; K168-S172 PolarHBondContact O-N 3.25Å; K168-S172 PolarHBondContact O-OG 2.85Å; N169-S172 WeakPolarHBondContact CA-OG 3.26Å
173	H	36.2	Very low	42.4	Very low	86 Å²	86	85 Å²	85	40%	0.398	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	9.9	179.4	-74.1	-37.6	0	0	0	113.8	N169 F171 S175 Y178	N169-H173 PolarHBondContact O-CD2 3.11Å; F171-H173 PolarHBondContact O-N 3.29Å; F171-H173 VanDerWaalsContact O-N 3.08Å; H173-S175 PolarHBondContact O-N 3.5Å; H173-Y178 HydrophobicContact CB-CD2 3.38Å; H173-Y178 HydrophobicContact CB-CE2 4.07Å; H173-Y178 HydrophobicContact CB-CG 3.84Å; H173-Y178 AromaticContact CD2-CD2 3.71Å; H173-Y178 AromaticContact CD2-CE2 3.63Å; H173-Y178 AromaticContact CG-CD2 3.45Å; H173-Y178 VanDerWaalsContact CG-CD2 3.45Å; H173-Y178 AromaticContact CG-CE2 3.88Å; H173-Y178 WeakPolarHBondContact O-CB 3.4Å
174	F	37.6	Very low	41.8	Very low	83 Å²	83	85.5 Å²	85.5	36%	0.364	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-1.7	165.4	-83.5	-104.3	0	0	0	113.7	L170 F171 D176 F322	L170-F174 WeakPolarHBondContact O-CD2 3.27Å; L170-F174 WeakPolarHBondContact O-CE2 3.25Å; F171-F174 HydrophobicContact CB-CD2 4.46Å; F171-F174 AromaticContact CD1-CD2 3.95Å; F171-F174 HydrophobicContact CD1-CD2 3.95Å; F171-F174 AromaticContact CD1-CE2 3.53Å; F171-F174 HydrophobicContact CD1-CE2 3.53Å; F171-F174 HydrophobicContact CD1-CZ 4.23Å; F171-F174 HydrophobicContact CE1-CE2 4.07Å; F171-F174 HydrophobicContact CE1-CZ 4.4Å; F171-F174 HydrophobicContact CG-CE2 4.44Å; F171-F174 PolarHBondContact O-N 2.93Å; F174-D176 PolarHBondContact O-N 3.19Å; F174-F322 HydrophobicContact CZ-CE1 4.17Å; F174-F322 HydrophobicContact CZ-CZ 4.1Å
175	S	34.9	Very low	41.1	Very low	67 Å²	67	84.7 Å²	84.7	47%	0.469	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	133.8	152.9	165.4	0	0	0	0	107.2	H173 N177 Y178	H173-S175 PolarHBondContact O-N 3.5Å; S175-N177 PolarHBondContact O-N 3.24Å; S175-Y178 PolarHBondContact O-N 2.86Å
176	D	42.1	Very low	40.2	Very low	116 Å²	116	81.3 Å²	81.3	62%	0.62	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.6	-9	179.1	-71.7	-55.4	0	0	0	114.8	F174	F174-D176 PolarHBondContact O-N 3.19Å
177	N	36.3	Very low	39.5	Very low	104 Å²	104	81.1 Å²	81.1	56%	0.556	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-12.9	175.1	-74.8	-15.8	0	0	0	118	S175 Q179 S180 T181	S175-N177 PolarHBondContact O-N 3.24Å; N177-Q179 VanDerWaalsContact C-N 3.34Å; N177-S180 WeakPolarHBondContact CA-OG 3.49Å; N177-S180 PolarHBondContact O-N 3.3Å; N177-S180 PolarHBondContact O-OG 3.16Å; N177-T181 PolarHBondContact O-N 2.94Å
178	Y	35.2	Very low	38.6	Very low	76 Å²	76	86.7 Å²	86.7	30%	0.298	45%	0.454	S	S	.	.	S	Bend	trans	-77	-24.5	173.4	-152.7	-102.7	0	0	0	112.8	Y119 H173 S175 S180 T181 C182	Y119-Y178 AromaticContact CE1-CE1 3.9Å; Y119-Y178 HydrophobicContact CE1-CE1 3.9Å; H173-Y178 HydrophobicContact CB-CD2 3.38Å; H173-Y178 HydrophobicContact CB-CE2 4.07Å; H173-Y178 HydrophobicContact CB-CG 3.84Å; H173-Y178 AromaticContact CD2-CD2 3.71Å; H173-Y178 AromaticContact CD2-CE2 3.63Å; H173-Y178 AromaticContact CG-CD2 3.45Å; H173-Y178 VanDerWaalsContact CG-CD2 3.45Å; H173-Y178 AromaticContact CG-CE2 3.88Å; H173-Y178 WeakPolarHBondContact O-CB 3.4Å; S175-Y178 PolarHBondContact O-N 2.86Å; Y178-S180 PolarHBondContact O-N 2.63Å; Y178-T181 WeakPolarHBondContact CA-OG1 3.33Å; Y178-T181 VanDerWaalsContact CD2-OG1 3.27Å; Y178-T181 WeakPolarHBondContact CD2-OG1 3.15Å; Y178-T181 PolarHBondContact O-N 2.73Å; Y178-T181 PolarHBondContact O-OG1 3.47Å; Y178-C182 PolarHBondContact O-N 2.74Å
179	Q	41.2	Very low	37.8	Very low	85 Å²	85	86.5 Å²	86.5	40%	0.397	45%	0.449	S	S	.	.	H	α-helix	trans	-63.5	-32.3	167.2	-79.4	179.1	-8	0	0	111.7	N177 T181 R256 G257	N177-Q179 VanDerWaalsContact C-N 3.34Å; Q179-T181 PolarHBondContact O-N 3.35Å; Q179-R256 PolarHBondContact NE2-O 3.01Å; Q179-R256 PolarHBondContact OE1-O 2.92Å; Q179-G257 VanDerWaalsContact NE2-CA 3.26Å
180	S	42	Very low	36.9	Very low	51 Å²	51	88.7 Å²	88.7	36%	0.357	46%	0.461	S	S	.	.	H	α-helix	trans	-77.4	-7.6	173.9	70.5	0	0	0	0	113.6	N177 Y178 N184	N177-S180 WeakPolarHBondContact CA-OG 3.49Å; N177-S180 PolarHBondContact O-N 3.3Å; N177-S180 PolarHBondContact O-OG 3.16Å; Y178-S180 PolarHBondContact O-N 2.63Å; S180-N184 PolarHBondContact O-ND2 3.07Å
181	T	41	Very low	36	Very low	46 Å²	46	94.5 Å²	94.5	28%	0.282	49%	0.487	S	S	.	.	H	α-helix	trans	-97.2	-7.1	171.5	57.7	0	0	0	0	114.8	N177 Y178 Q179 E183 N184 S185	N177-T181 PolarHBondContact O-N 2.94Å; Y178-T181 WeakPolarHBondContact CA-OG1 3.33Å; Y178-T181 VanDerWaalsContact CD2-OG1 3.27Å; Y178-T181 WeakPolarHBondContact CD2-OG1 3.15Å; Y178-T181 PolarHBondContact O-N 2.73Å; Y178-T181 PolarHBondContact O-OG1 3.47Å; Q179-T181 PolarHBondContact O-N 3.35Å; T181-E183 PolarHBondContact O-N 3.5Å; T181-N184 HydrophobicContact CG2-CB 4.46Å; T181-N184 CarbonylContact O-C 3.54Å; T181-N184 VanDerWaalsContact O-C 3.3Å; T181-N184 PolarHBondContact O-N 3.33Å; T181-N184 VanDerWaalsContact O-N 3.09Å; T181-S185 WeakPolarHBondContact O-CA 3.36Å; T181-S185 VanDerWaalsContact O-CB 3.24Å; T181-S185 WeakPolarHBondContact O-CB 3.35Å; T181-S185 PolarHBondContact O-N 3.14Å
182	C	48.7	Very low	35.3	Very low	47 Å²	47	98 Å²	98	32%	0.318	51%	0.509	S	S	.	.	H	α-helix	trans	-64.8	-26.3	161.6	-68.4	0	0	0	0	110.9	C118 Y178	C118-C182 HydrophobicContact CB-CB 4.1Å; C118-C182 WeakPolarHBondContact CB-SG 3.28Å; C118-C182 WeakPolarHBondContact SG-CB 3.38Å; C118-C182 CovalentContact SG-SG 2.05Å; C118-C182 PolarHBondContact SG-SG 2.91Å; Y178-C182 PolarHBondContact O-N 2.74Å
183	E	43.4	Very low	34.5	Very low	157 Å²	157	102 Å²	102	73%	0.734	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-27.5	168	-70.4	-175.7	165.5	0	0	113.4	T181	T181-E183 PolarHBondContact O-N 3.5Å
184	N	33.6	Very low	34	Very low	102 Å²	102	109.9 Å²	109.9	55%	0.545	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	18.2	-177.4	-70.2	-53.6	0	0	0	115.4	S180 T181	S180-N184 PolarHBondContact O-ND2 3.07Å; T181-N184 HydrophobicContact CG2-CB 4.46Å; T181-N184 CarbonylContact O-C 3.54Å; T181-N184 VanDerWaalsContact O-C 3.3Å; T181-N184 PolarHBondContact O-N 3.33Å; T181-N184 VanDerWaalsContact O-N 3.09Å
185	S	30.5	Very low	33.5	Very low	26 Å²	26	108.2 Å²	108.2	18%	0.182	55%	0.55	C	S	.	*			trans	-61.3	134.8	-172.4	176.9	0	0	0	0	109	T181 V187 K188	T181-S185 WeakPolarHBondContact O-CA 3.36Å; T181-S185 VanDerWaalsContact O-CB 3.24Å; T181-S185 WeakPolarHBondContact O-CB 3.35Å; T181-S185 PolarHBondContact O-N 3.14Å; S185-V187 PolarHBondContact O-N 3.16Å; S185-K188 PolarHBondContact O-N 3.48Å
186	P	27.5	Very low	33.2	Very low	97 Å²	97	110.1 Å²	110.1	63%	0.63	56%	0.563	S	S	*	*	H	α-helix	trans	-56.5	-17.6	-177.2	-21.2	30.9	0	0	0	113.6	K188 R189 N190	P186-K188 VanDerWaalsContact C-N 3.32Å; P186-K188 PolarHBondContact O-N 3.01Å; P186-R189 PolarHBondContact O-N 3.33Å; P186-R189 VanDerWaalsContact O-N 3.09Å; P186-N190 PolarHBondContact O-N 2.96Å
187	V	31.3	Very low	32.5	Very low	86 Å²	86	110 Å²	110	52%	0.521	57%	0.571	S	S	.	*	H	α-helix	trans	-67.2	-28.5	176.1	-174.9	0	0	0	0	112.6	S185	S185-V187 PolarHBondContact O-N 3.16Å
188	K	26.7	Very low	31.8	Very low	158 Å²	158	115.8 Å²	115.8	69%	0.687	59%	0.586	S	S	*	*	H	α-helix	trans	-73.3	-31.1	169.4	-100.9	-170.3	176.9	-178.1	0	112.3	S185 P186 N190 H191	S185-K188 PolarHBondContact O-N 3.48Å; P186-K188 VanDerWaalsContact C-N 3.32Å; P186-K188 PolarHBondContact O-N 3.01Å; K188-N190 VanDerWaalsContact C-N 3.27Å; K188-N190 PolarHBondContact O-N 3.09Å; K188-H191 PolarHBondContact O-N 3.49Å
189	R	27.4	Very low	31.4	Very low	171 Å²	171	121.3 Å²	121.3	65%	0.645	61%	0.614	S	S	*	*	H	α-helix	trans	-69.3	-23.5	-179.1	-105.3	-172.2	-86.4	-173.6	-5.2	113.4	P186 H191	P186-R189 PolarHBondContact O-N 3.33Å; P186-R189 VanDerWaalsContact O-N 3.09Å; R189-H191 VanDerWaalsContact C-N 3.29Å; R189-H191 PolarHBondContact O-N 2.99Å
190	N	27.9	Very low	30.7	Very low	132 Å²	132	124.5 Å²	124.5	71%	0.706	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-6	175.1	-88.5	2.7	0	0	0	114.9	P186 K188	P186-N190 PolarHBondContact O-N 2.96Å; K188-N190 VanDerWaalsContact C-N 3.27Å; K188-N190 PolarHBondContact O-N 3.09Å
191	H	28.2	Very low	29.8	Very low	148 Å²	148	129.8 Å²	129.8	69%	0.685	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-12.6	173.5	-85.5	-62	0	0	0	114.3	K188 R189	K188-H191 PolarHBondContact O-N 3.49Å; R189-H191 VanDerWaalsContact C-N 3.29Å; R189-H191 PolarHBondContact O-N 2.99Å
192	D	28.4	Very low	29.2	Very low	148 Å²	148	131.8 Å²	131.8	79%	0.791	67%	0.671	S	S	*	*	S	Bend	trans	-110.2	4.9	178.3	-80.6	-27.2	0	0	0	114.9	R194	D192-R194 VanDerWaalsContact C-N 3.28Å; D192-R194 PolarHBondContact O-N 2.94Å
193	F	23.7	Very low	28.1	Very low	156 Å²	156	135.3 Å²	135.3	68%	0.684	70%	0.696	S	S	*	*			trans	-80.8	78.1	170.6	-93.2	-86.4	0	0	0	111.4	G195	F193-G195 VanDerWaalsContact C-N 3.29Å; F193-G195 PolarHBondContact O-N 2.01Å
194	R	27.2	Very low	27.3	Very low	252 Å²	252	131.1 Å²	131.1	95%	0.951	68%	0.683	S	S	*	*			trans	-64.4	93.3	151	-79.6	-175.7	174.3	-173.5	-0.9	108	D192	D192-R194 VanDerWaalsContact C-N 3.28Å; D192-R194 PolarHBondContact O-N 2.94Å
195	G	26.9	Very low	27.2	Very low	48 Å²	48	130.4 Å²	130.4	50%	0.495	68%	0.676	S	S	.	*			trans	142.8	135.7	163.7	0	0	0	0	0	114.9	F193	F193-G195 VanDerWaalsContact C-N 3.29Å; F193-G195 PolarHBondContact O-N 2.01Å
196	S	27.6	Very low	27	Very low	106 Å²	106	136.7 Å²	136.7	74%	0.741	70%	0.696	S	S	*	*			trans	82.3	112.8	172.9	75.7	0	0	0	0	116.7	W198	S196-W198 PolarHBondContact O-N 3.49Å
197	S	27.7	Very low	27	Very low	113 Å²	113	133.9 Å²	133.9	79%	0.79	68%	0.68	S	S	*	*			trans	-63.8	99.3	173.4	52.7	0	0	0	0	111.2
198	W	22.9	Very low	26.9	Very low	226 Å²	226	132.1 Å²	132.1	86%	0.856	67%	0.668	S	S	*	*			trans	-137.8	132.7	155.5	-67	94.5	0	0	0	108.2	S196 I200	S196-W198 PolarHBondContact O-N 3.49Å; W198-I200 PolarHBondContact O-N 3.29Å
199	E	26.5	Very low	27	Very low	193 Å²	193	133.9 Å²	133.9	90%	0.902	67%	0.67	S	S	*	*			trans	-52.8	126.1	-167.9	-67.1	169.5	151.8	0	0	112.2	N201	E199-N201 PolarHBondContact O-N 3.02Å
200	I	26.1	Very low	27	Very low	152 Å²	152	130.6 Å²	130.6	78%	0.779	66%	0.662	S	S	*	*			trans	-67.2	109.8	-179.7	-66.3	160.7	0	0	0	108.1	W198 P202	W198-I200 PolarHBondContact O-N 3.29Å; I200-P202 HydrophobicContact CG2-CB 4.29Å; I200-P202 HydrophobicContact CG2-CG 3.48Å; I200-P202 VanDerWaalsContact CG2-CG 3.48Å; I200-P202 WeakPolarHBondContact O-CD 3.36Å
201	N	23.5	Very low	27.1	Very low	162 Å²	162	129.6 Å²	129.6	87%	0.866	65%	0.649	S	S	*	*			trans	-116.6	79.4	168.9	-133.3	-11.8	0	0	0	108.8	E199	E199-N201 PolarHBondContact O-N 3.02Å
202	P	27.5	Very low	27	Very low	88 Å²	88	126.6 Å²	126.6	57%	0.571	64%	0.644	S	S	*	*			trans	-98.4	102	-174.9	35	-22.9	0	0	0	109.4	I200 S204	I200-P202 HydrophobicContact CG2-CB 4.29Å; I200-P202 HydrophobicContact CG2-CG 3.48Å; I200-P202 VanDerWaalsContact CG2-CG 3.48Å; I200-P202 WeakPolarHBondContact O-CD 3.36Å; P202-S204 PolarHBondContact O-N 2.67Å
203	S	25.1	Very low	26.8	Very low	121 Å²	121	124.6 Å²	124.6	85%	0.846	64%	0.642	S	S	*	*			trans	-72.1	28.7	171.7	52	0	0	0	0	113.9
204	S	27.9	Very low	26.9	Very low	68 Å²	68	123.2 Å²	123.2	48%	0.476	65%	0.647	S	S	.	*			trans	-86.9	110.5	170.2	60.5	0	0	0	0	109.1	P202 R206	P202-S204 PolarHBondContact O-N 2.67Å; S204-R206 VanDerWaalsContact C-N 3.33Å; S204-R206 PolarHBondContact O-N 3.08Å
205	F	30.2	Very low	26.8	Very low	88 Å²	88	116.9 Å²	116.9	39%	0.386	64%	0.636	S	S	.	*			trans	-48.5	91.2	170	-75.9	-96.6	0	0	0	110.7	F103 F658	F103-F205 HydrophobicContact CD2-CE2 4.24Å; F205-F658 HydrophobicContact CD1-CE2 4.17Å; F205-F658 HydrophobicContact CE1-CE2 4.39Å
206	R	26.4	Very low	26.8	Very low	158 Å²	158	122 Å²	122	60%	0.596	65%	0.652	S	S	*	*			trans	-107.8	114	167.2	-87.9	-173.5	179	175.1	2.7	106.7	S204 N208	S204-R206 VanDerWaalsContact C-N 3.33Å; S204-R206 PolarHBondContact O-N 3.08Å; R206-N208 HydrophobicContact CB-CB 4.32Å; R206-N208 PolarHBondContact O-N 3.02Å; R206-N208 VanDerWaalsContact O-N 3.08Å
207	A	29.1	Very low	26.8	Very low	37 Å²	37	124.3 Å²	124.3	31%	0.306	66%	0.656	S	S	.	*			trans	-64.1	0.8	161	0	0	0	0	0	112.3	L109 W113 R209	L109-A207 HydrophobicContact CD2-CB 4.4Å; W113-A207 HydrophobicContact CE3-CB 4.27Å; A207-R209 VanDerWaalsContact C-N 3.28Å; A207-R209 PolarHBondContact O-N 3.34Å; A207-R209 VanDerWaalsContact O-N 3.14Å
208	N	28	Very low	26.8	Very low	49 Å²	49	127.8 Å²	127.8	26%	0.262	66%	0.66	S	S	.	*			trans	-83.1	52	172.6	-73.5	14.9	0	0	0	113	R206	R206-N208 HydrophobicContact CB-CB 4.32Å; R206-N208 PolarHBondContact O-N 3.02Å; R206-N208 VanDerWaalsContact O-N 3.08Å
209	R	28.1	Very low	26.9	Very low	195 Å²	195	121.5 Å²	121.5	74%	0.736	65%	0.65	S	S	*	*			trans	-89.1	94.7	146.6	-80.4	-168.3	-170.4	-175.6	5.1	105.7	A207 Y211	A207-R209 VanDerWaalsContact C-N 3.28Å; A207-R209 PolarHBondContact O-N 3.34Å; A207-R209 VanDerWaalsContact O-N 3.14Å; R209-Y211 HydrophobicContact CB-CE2 4.06Å; R209-Y211 WeakPolarHBondContact O-CD2 3.36Å; R209-Y211 WeakPolarHBondContact O-CE2 3.27Å; R209-Y211 PolarHBondContact O-N 3.45Å
210	H	28.4	Very low	26.9	Very low	102 Å²	102	120.8 Å²	120.8	47%	0.472	65%	0.647	S	S	.	*			trans	-59.9	102.7	168.8	-76.8	-68.5	0	0	0	108.1	S212 N228 D229	H210-S212 PolarHBondContact O-N 2.8Å; H210-N228 PolarHBondContact CE1-O 3.23Å; H210-N228 PolarHBondContact NE2-O 3.12Å; H210-D229 IonicContact CD2-OD1 3.5Å; H210-D229 IonicContact NE2-OD1 2.68Å
211	Y	30	Very low	26.8	Very low	112 Å²	112	120.5 Å²	120.5	44%	0.439	65%	0.646	S	S	.	*			trans	-79.4	72	166.6	-63	-92.8	0	0	0	107.6	R209 S213 E652 D655	R209-Y211 HydrophobicContact CB-CE2 4.06Å; R209-Y211 WeakPolarHBondContact O-CD2 3.36Å; R209-Y211 WeakPolarHBondContact O-CE2 3.27Å; R209-Y211 PolarHBondContact O-N 3.45Å; Y211-S213 PolarHBondContact O-N 2.65Å; Y211-E652 HydrophobicContact CD2-CB 4.19Å; Y211-E652 HydrophobicContact CG-CB 4.36Å; Y211-D655 PolarHBondContact OH-OD2 3.17Å
212	S	26.1	Very low	27.1	Very low	84 Å²	84	117.6 Å²	117.6	59%	0.587	65%	0.645	S	S	*	*			trans	-77.6	117.9	169.8	77.9	0	0	0	0	108.6	H210 T214	H210-S212 PolarHBondContact O-N 2.8Å; S212-T214 VanDerWaalsContact C-N 3.28Å; S212-T214 PolarHBondContact O-N 3.45Å
213	S	24.5	Very low	27	Very low	107 Å²	107	120.5 Å²	120.5	75%	0.748	66%	0.656	S	S	*	*			trans	-65.7	82.4	169.4	58.2	0	0	0	0	110.4	Y211 T215	Y211-S213 PolarHBondContact O-N 2.65Å; S213-T215 PolarHBondContact O-N 3.07Å; S213-T215 VanDerWaalsContact O-N 3.15Å
214	T	24.9	Very low	27	Very low	127 Å²	127	122.1 Å²	122.1	78%	0.779	65%	0.654	S	S	*	*			trans	-85	72	165.1	42	0	0	0	0	109.4	S212	S212-T214 VanDerWaalsContact C-N 3.28Å; S212-T214 PolarHBondContact O-N 3.45Å
215	T	26.7	Very low	26.9	Very low	118 Å²	118	127.8 Å²	127.8	72%	0.724	67%	0.67	S	S	*	*			trans	-84	96.5	148.1	48.6	0	0	0	0	106.3	S213	S213-T215 PolarHBondContact O-N 3.07Å; S213-T215 VanDerWaalsContact O-N 3.15Å
216	N	26.5	Very low	26.7	Very low	156 Å²	156	129.8 Å²	129.8	83%	0.834	69%	0.69	S	S	*	*			trans	-166	95.8	148.5	-92.5	-21.5	0	0	0	108	H218	N216-H218 PolarHBondContact O-N 3.3Å; N216-H218 VanDerWaalsContact O-N 3.1Å
217	N	27.7	Very low	26.8	Very low	154 Å²	154	126.7 Å²	126.7	82%	0.824	69%	0.693	S	S	*	*			trans	-49.7	110.5	148.1	-73.6	-31.7	0	0	0	106.8
218	H	27.2	Very low	27	Very low	187 Å²	187	130.5 Å²	130.5	87%	0.866	71%	0.708	S	S	*	*			trans	-174.6	138.1	133.4	-88	-53	0	0	0	109.7	N216	N216-H218 PolarHBondContact O-N 3.3Å; N216-H218 VanDerWaalsContact O-N 3.1Å
219	S	25.6	Very low	27.4	Very low	93 Å²	93	134 Å²	134	65%	0.65	73%	0.727	S	S	*	*			trans	-58.7	150.5	-174.6	53.2	0	0	0	0	114.8
220	H	24.9	Very low	28.5	Very low	179 Å²	179	128.1 Å²	128.1	83%	0.829	71%	0.709	S	S	*	*			trans	70	82.5	158	-62.2	-65.8	0	0	0	117.8
221	D	25.6	Very low	29.8	Very low	145 Å²	145	126 Å²	126	78%	0.775	71%	0.705	S	S	*	*				-161.1	104.6	128.9	-122.4	-20.7	0	0	0	111.8	N223	D221-N223 PolarHBondContact O-N 3.32Å
222	A	29.3	Very low	31.3	Very low	102 Å²	102	122.6 Å²	122.6	84%	0.843	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	34.4	-170.9	0	0	0	0	0	114.3
223	N	25.9	Very low	33.3	Very low	149 Å²	149	123.8 Å²	123.8	80%	0.797	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.7	9.3	-179.3	-89.8	-33.4	0	0	0	116.1	D221 K225	D221-N223 PolarHBondContact O-N 3.32Å; N223-K225 VanDerWaalsContact C-N 3.25Å; N223-K225 PolarHBondContact O-N 3.48Å
224	L	23.6	Very low	35.6	Very low	154 Å²	154	123.1 Å²	123.1	81%	0.806	68%	0.677	S	S	*	*			trans	-77.9	82.8	162.6	-89.9	135.9	0	0	0	109.2	T226	L224-T226 PolarHBondContact O-N 3.5Å
225	K	26	Very low	37.8	Very low	187 Å²	187	117.4 Å²	117.4	81%	0.813	64%	0.641	S	S	*	*			trans	-47.1	114.1	159.1	-75	178.6	177.4	176.5	0	107.3	N223 S227	N223-K225 VanDerWaalsContact C-N 3.25Å; N223-K225 PolarHBondContact O-N 3.48Å; K225-S227 PolarHBondContact O-N 3.09Å
226	T	27.4	Very low	40.1	Very low	130 Å²	130	113 Å²	113	80%	0.798	62%	0.616	S	S	*	*			trans	-50.4	95.1	175.1	47	0	0	0	0	109.9	L224	L224-T226 PolarHBondContact O-N 3.5Å
227	S	26.7	Very low	42.6	Very low	94 Å²	94	111.8 Å²	111.8	66%	0.657	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	122.4	171.2	54	0	0	0	0	108.5	K225	K225-S227 PolarHBondContact O-N 3.09Å
228	N	33.4	Very low	45	Very low	117 Å²	117	108.8 Å²	108.8	63%	0.626	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	133.9	17.9	155.9	-63.9	-10	0	0	0	116.1	H210 I230	H210-N228 PolarHBondContact CE1-O 3.23Å; H210-N228 PolarHBondContact NE2-O 3.12Å; N228-I230 PolarHBondContact O-N 3.35Å
229	D	38.2	Very low	47.5	Very low	123 Å²	123	100.2 Å²	100.2	66%	0.658	55%	0.546	S	S	*	.			trans	-63.4	83.5	151	-91.7	-26.1	0	0	0	108.8	H210 S231	H210-D229 IonicContact CD2-OD1 3.5Å; H210-D229 IonicContact NE2-OD1 2.68Å; D229-S231 PolarHBondContact O-N 3.28Å
230	I	50.4	Low	50.1	Low	71 Å²	71	98.5 Å²	98.5	36%	0.364	53%	0.534	S	S	.	.			trans	-70.5	89.8	162.9	-72	165.8	0	0	0	106.1	N228 F234 I235	N228-I230 PolarHBondContact O-N 3.35Å; I230-F234 HydrophobicContact CB-CD1 4.35Å; I230-F234 HydrophobicContact CG1-CD1 4.22Å; I230-F234 HydrophobicContact CG1-CE1 4.37Å; I230-F234 HydrophobicContact CG2-CB 4.21Å; I230-F234 HydrophobicContact CG2-CD1 3.46Å; I230-F234 VanDerWaalsContact CG2-CD1 3.46Å; I230-F234 HydrophobicContact CG2-CE1 4.24Å; I230-F234 HydrophobicContact CG2-CG 4.2Å; I230-I235 HydrophobicContact CG2-CD1 3.84Å; I230-I235 HydrophobicContact CG2-CG1 3.31Å
231	S	55.7	Low	52.9	Low	56 Å²	56	95.1 Å²	95.1	39%	0.392	52%	0.519	S	S	.	.			trans	-59.5	151	179.5	73.3	0	0	0	0	110.5	D229 N233 F234 I235	D229-S231 PolarHBondContact O-N 3.28Å; S231-N233 PolarHBondContact O-N 3.04Å; S231-F234 WeakPolarHBondContact O-CA 3.37Å; S231-F234 WeakPolarHBondContact O-CB 3.03Å; S231-F234 PolarHBondContact O-N 3.04Å; S231-F234 PolarHBondContact OG-N 2.95Å; S231-I235 PolarHBondContact O-N 3.23Å
232	H	61.2	Low	55.7	Low	41 Å²	41	89.6 Å²	89.6	19%	0.19	49%	0.489	C	S	.	.	H	α-helix	trans	-45.6	-36.7	170.1	176.7	-73.2	0	0	0	111.7	S114 S236 Y327	S114-H232 VanDerWaalsContact OG-CB 3.25Å; S114-H232 WeakPolarHBondContact OG-CB 3.29Å; S114-H232 PolarHBondContact OG-CD2 2.97Å; H232-S236 WeakPolarHBondContact O-CB 3.46Å; H232-S236 PolarHBondContact O-N 3.47Å; H232-Y327 AromaticContact CE1-CD2 3.84Å; H232-Y327 AromaticContact CE1-CE2 3.43Å; H232-Y327 VanDerWaalsContact CE1-CE2 3.43Å; H232-Y327 WeakPolarHBondContact CE1-CE2 3.18Å; H232-Y327 AromaticContact NE2-CD2 3.57Å; H232-Y327 AromaticContact NE2-CE2 3.46Å; H232-Y327 WeakPolarHBondContact NE2-CE2 3.44Å
233	N	68.9	Low	58.2	Low	109 Å²	109	85.4 Å²	85.4	58%	0.583	45%	0.453	S	S	*	.	H	α-helix	trans	-64.7	-41.8	177.3	-65.2	-17	0	0	0	112.1	S231 S236 E237	S231-N233 PolarHBondContact O-N 3.04Å; N233-S236 PolarHBondContact O-N 3.39Å; N233-E237 WeakPolarHBondContact O-CB 3.48Å; N233-E237 VanDerWaalsContact O-CG 3.31Å; N233-E237 WeakPolarHBondContact O-CG 3.07Å; N233-E237 PolarHBondContact O-N 2.8Å
234	F	72.4	Confident	61	Low	93 Å²	93	87.6 Å²	87.6	41%	0.408	45%	0.45	S	S	.	.	H	α-helix	trans	-62.6	-47.5	177.8	180	-90.1	0	0	0	111.9	I230 S231 S236 E237 Q238	I230-F234 HydrophobicContact CB-CD1 4.35Å; I230-F234 HydrophobicContact CG1-CD1 4.22Å; I230-F234 HydrophobicContact CG1-CE1 4.37Å; I230-F234 HydrophobicContact CG2-CB 4.21Å; I230-F234 HydrophobicContact CG2-CD1 3.46Å; I230-F234 VanDerWaalsContact CG2-CD1 3.46Å; I230-F234 HydrophobicContact CG2-CE1 4.24Å; I230-F234 HydrophobicContact CG2-CG 4.2Å; S231-F234 WeakPolarHBondContact O-CA 3.37Å; S231-F234 WeakPolarHBondContact O-CB 3.03Å; S231-F234 PolarHBondContact O-N 3.04Å; S231-F234 PolarHBondContact OG-N 2.95Å; F234-S236 VanDerWaalsContact C-N 3.34Å; F234-S236 PolarHBondContact O-N 3.07Å; F234-E237 PolarHBondContact O-N 2.85Å; F234-Q238 HydrophobicContact CD1-CG 4.14Å; F234-Q238 HydrophobicContact CE1-CG 3.79Å; F234-Q238 HydrophobicContact CZ-CG 4.02Å; F234-Q238 WeakPolarHBondContact O-CG 3.36Å; F234-Q238 PolarHBondContact O-N 2.95Å
235	I	71.5	Confident	64	Low	7 Å²	7	86.3 Å²	86.3	4%	0.036	44%	0.438	C	S	.	.	H	α-helix	trans	-63.4	-44.9	177.9	-52.9	176.7	0	0	0	109.9	S112 I230 S231 E237 Q238 M239 V329	S112-I235 WeakPolarHBondContact OG-CD1 3.2Å; I230-I235 HydrophobicContact CG2-CD1 3.84Å; I230-I235 HydrophobicContact CG2-CG1 3.31Å; S231-I235 PolarHBondContact O-N 3.23Å; I235-E237 VanDerWaalsContact C-N 3.29Å; I235-E237 PolarHBondContact O-N 3Å; I235-Q238 PolarHBondContact O-N 3.38Å; I235-M239 HydrophobicContact CG2-CE 4.21Å; I235-M239 HydrophobicContact CG2-CG 4.23Å; I235-M239 WeakPolarHBondContact O-CB 3.47Å; I235-M239 WeakPolarHBondContact O-CG 3.32Å; I235-M239 PolarHBondContact O-N 2.73Å; I235-V329 HydrophobicContact CG2-CG2 4.12Å
236	S	73.8	Confident	66.7	Low	26 Å²	26	80 Å²	80	18%	0.182	41%	0.409	C	S	.	.	H	α-helix	trans	-59	-38	176.8	-177.7	0	0	0	0	112.5	H232 N233 F234 S240	H232-S236 WeakPolarHBondContact O-CB 3.46Å; H232-S236 PolarHBondContact O-N 3.47Å; N233-S236 PolarHBondContact O-N 3.39Å; F234-S236 VanDerWaalsContact C-N 3.34Å; F234-S236 PolarHBondContact O-N 3.07Å; S236-S240 WeakPolarHBondContact O-CB 3.4Å; S236-S240 PolarHBondContact O-N 2.65Å; S236-S240 PolarHBondContact O-OG 3.11Å
237	E	79	Confident	69.4	Low	130 Å²	130	80.1 Å²	80.1	61%	0.607	40%	0.398	S	S	*	.	H	α-helix	trans	-68.6	-46.3	175.3	-80.1	177.8	-177.4	0	0	112.3	N233 F234 I235 M239 S240 H241	N233-E237 WeakPolarHBondContact O-CB 3.48Å; N233-E237 VanDerWaalsContact O-CG 3.31Å; N233-E237 WeakPolarHBondContact O-CG 3.07Å; N233-E237 PolarHBondContact O-N 2.8Å; F234-E237 PolarHBondContact O-N 2.85Å; I235-E237 VanDerWaalsContact C-N 3.29Å; I235-E237 PolarHBondContact O-N 3Å; E237-M239 VanDerWaalsContact C-N 3.27Å; E237-M239 PolarHBondContact O-N 3.13Å; E237-S240 WeakPolarHBondContact O-CB 3.32Å; E237-S240 PolarHBondContact O-N 3.44Å; E237-H241 PolarHBondContact O-N 3.39Å
238	Q	78	Confident	71.9	Confident	92 Å²	92	75.7 Å²	75.7	43%	0.43	37%	0.367	S	S	.	.	H	α-helix	trans	-59.5	-41.3	174.5	-68.7	-60.2	-33	0	0	111.1	F234 I235 H241 L242	F234-Q238 HydrophobicContact CD1-CG 4.14Å; F234-Q238 HydrophobicContact CE1-CG 3.79Å; F234-Q238 HydrophobicContact CZ-CG 4.02Å; F234-Q238 WeakPolarHBondContact O-CG 3.36Å; F234-Q238 PolarHBondContact O-N 2.95Å; I235-Q238 PolarHBondContact O-N 3.38Å; Q238-H241 WeakPolarHBondContact O-CB 2.93Å; Q238-H241 PolarHBondContact O-N 3.23Å; Q238-L242 WeakPolarHBondContact O-CG 3.18Å; Q238-L242 PolarHBondContact O-N 2.61Å
239	M	79.5	Confident	73.5	Confident	6 Å²	6	72.8 Å²	72.8	3%	0.03	36%	0.356	C	S	.	.	H	α-helix	trans	-62.9	-46.4	175.2	-71.5	-79.8	-173.1	0	0	111.8	I235 E237 H241 L242 I243 I283 C285 Y327 I328 V329	I235-M239 HydrophobicContact CG2-CE 4.21Å; I235-M239 HydrophobicContact CG2-CG 4.23Å; I235-M239 WeakPolarHBondContact O-CB 3.47Å; I235-M239 WeakPolarHBondContact O-CG 3.32Å; I235-M239 PolarHBondContact O-N 2.73Å; E237-M239 VanDerWaalsContact C-N 3.27Å; E237-M239 PolarHBondContact O-N 3.13Å; M239-H241 PolarHBondContact O-N 2.98Å; M239-L242 PolarHBondContact O-N 3.11Å; M239-L242 VanDerWaalsContact O-N 3.12Å; M239-I243 WeakPolarHBondContact O-CB 3.1Å; M239-I243 VanDerWaalsContact O-CG1 3.28Å; M239-I243 WeakPolarHBondContact O-CG1 3.13Å; M239-I243 PolarHBondContact O-N 2.67Å; M239-I283 HydrophobicContact CE-CB 4.13Å; M239-I283 HydrophobicContact CE-CG1 4.27Å; M239-I283 HydrophobicContact CE-CG2 3.26Å; M239-I283 HydrophobicContact SD-CG2 3.21Å; M239-I283 WeakPolarHBondContact SD-CG2 3.24Å; M239-C285 HydrophobicContact SD-CB 3.8Å; M239-Y327 HydrophobicContact CB-CD1 4.18Å; M239-Y327 HydrophobicContact CB-CE1 4.43Å; M239-Y327 HydrophobicContact CG-CD1 3.85Å; M239-I328 VanDerWaalsContact CE-O 3.26Å; M239-I328 WeakPolarHBondContact CE-O 3.41Å; M239-V329 HydrophobicContact CE-CG2 4.22Å
240	S	81.2	Confident	74.6	Confident	57 Å²	57	74.1 Å²	74.1	40%	0.399	36%	0.358	S	S	.	.	H	α-helix	trans	-59.6	-37	175.5	-62	0	0	0	0	111.5	S236 E237 R244	S236-S240 WeakPolarHBondContact O-CB 3.4Å; S236-S240 PolarHBondContact O-N 2.65Å; S236-S240 PolarHBondContact O-OG 3.11Å; E237-S240 WeakPolarHBondContact O-CB 3.32Å; E237-S240 PolarHBondContact O-N 3.44Å; S240-R244 WeakPolarHBondContact O-CB 3.07Å; S240-R244 PolarHBondContact O-N 3.21Å; S240-R244 VanDerWaalsContact O-N 3.07Å
241	H	84.1	Confident	74.7	Confident	108 Å²	108	75.6 Å²	75.6	50%	0.5	36%	0.363	S	S	.	.	H	α-helix	trans	-64.6	-47.2	173.1	-179.2	81.8	0	0	0	111.7	E237 Q238 M239 R244 K245	E237-H241 PolarHBondContact O-N 3.39Å; Q238-H241 WeakPolarHBondContact O-CB 2.93Å; Q238-H241 PolarHBondContact O-N 3.23Å; M239-H241 PolarHBondContact O-N 2.98Å; H241-R244 PolarHBondContact O-N 2.97Å; H241-K245 VanDerWaalsContact O-CB 3.23Å; H241-K245 WeakPolarHBondContact O-CB 3.36Å; H241-K245 PolarHBondContact O-N 2.85Å
242	L	84.6	Confident	74.6	Confident	30 Å²	30	74.4 Å²	74.4	16%	0.157	36%	0.355	C	S	.	.	H	α-helix	trans	-64.7	-43.6	178.6	-68	174	0	0	0	112.6	Q238 M239 R244 K245 Y246 I283 I294	Q238-L242 WeakPolarHBondContact O-CG 3.18Å; Q238-L242 PolarHBondContact O-N 2.61Å; M239-L242 PolarHBondContact O-N 3.11Å; M239-L242 VanDerWaalsContact O-N 3.12Å; L242-R244 VanDerWaalsContact C-N 3.25Å; L242-R244 PolarHBondContact O-N 2.97Å; L242-K245 HydrophobicContact CD2-CD 4.48Å; L242-K245 PolarHBondContact O-N 3.35Å; L242-Y246 HydrophobicContact CD2-CE2 4.02Å; L242-Y246 VanDerWaalsContact O-CD2 3.3Å; L242-Y246 WeakPolarHBondContact O-CD2 3.07Å; L242-Y246 PolarHBondContact O-N 3.31Å; L242-I283 HydrophobicContact CD1-CD1 3.36Å; L242-I283 HydrophobicContact CD1-CG2 4.39Å; L242-I294 HydrophobicContact CB-CD1 3.94Å; L242-I294 HydrophobicContact CD1-CD1 4.47Å
243	I	80.8	Confident	74	Confident	14 Å²	14	77.3 Å²	77.3	7%	0.072	38%	0.376	C	S	.	.	H	α-helix	trans	-56.8	-42.9	174.5	-71.7	168.1	0	0	0	110.1	M239 K247 L248 F292	M239-I243 WeakPolarHBondContact O-CB 3.1Å; M239-I243 VanDerWaalsContact O-CG1 3.28Å; M239-I243 WeakPolarHBondContact O-CG1 3.13Å; M239-I243 PolarHBondContact O-N 2.67Å; I243-K247 CarbonylContact O-C 3.57Å; I243-K247 WeakPolarHBondContact O-CA 3.45Å; I243-K247 PolarHBondContact O-N 3.46Å; I243-L248 HydrophobicContact CG1-CD1 4.37Å; I243-L248 HydrophobicContact CG2-CB 4.19Å; I243-L248 PolarHBondContact O-N 3.23Å; I243-F292 HydrophobicContact CD1-CD2 3.93Å; I243-F292 HydrophobicContact CD1-CE2 4.02Å; I243-F292 HydrophobicContact CG1-CD2 4.38Å
244	R	84.1	Confident	73.1	Confident	195 Å²	195	84.2 Å²	84.2	74%	0.736	39%	0.394	S	S	*	.	H	α-helix	trans	-70.9	-45.7	176.8	-170.8	-176.5	-58.6	178.5	2.9	112.2	S240 H241 L242 Y246 K247	S240-R244 WeakPolarHBondContact O-CB 3.07Å; S240-R244 PolarHBondContact O-N 3.21Å; S240-R244 VanDerWaalsContact O-N 3.07Å; H241-R244 PolarHBondContact O-N 2.97Å; L242-R244 VanDerWaalsContact C-N 3.25Å; L242-R244 PolarHBondContact O-N 2.97Å; R244-Y246 VanDerWaalsContact C-N 3.27Å; R244-Y246 PolarHBondContact O-N 3.49Å; R244-K247 PolarHBondContact O-N 3.03Å; R244-K247 VanDerWaalsContact O-N 3.07Å
245	K	86.3	Confident	72	Confident	127 Å²	127	88.8 Å²	88.8	55%	0.552	41%	0.408	S	S	*	.	H	α-helix	trans	-55.9	-43.8	-179.9	-180	-176.7	177.3	-172.5	0	111	H241 L242	H241-K245 VanDerWaalsContact O-CB 3.23Å; H241-K245 WeakPolarHBondContact O-CB 3.36Å; H241-K245 PolarHBondContact O-N 2.85Å; L242-K245 HydrophobicContact CD2-CD 4.48Å; L242-K245 PolarHBondContact O-N 3.35Å
246	Y	84.6	Confident	71.3	Confident	53 Å²	53	96.8 Å²	96.8	21%	0.208	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	7.8	178.8	-59.3	-58.3	0	0	0	113.7	H132 L242 R244 L248 H265 I267 I294	H132-Y246 PolarHBondContact CE1-O 3.14Å; H132-Y246 PolarHBondContact NE2-O 3.33Å; L242-Y246 HydrophobicContact CD2-CE2 4.02Å; L242-Y246 VanDerWaalsContact O-CD2 3.3Å; L242-Y246 WeakPolarHBondContact O-CD2 3.07Å; L242-Y246 PolarHBondContact O-N 3.31Å; R244-Y246 VanDerWaalsContact C-N 3.27Å; R244-Y246 PolarHBondContact O-N 3.49Å; Y246-L248 PolarHBondContact O-N 3.03Å; Y246-H265 AromaticContact CD1-NE2 3.3Å; Y246-H265 VanDerWaalsContact CD1-NE2 3.3Å; Y246-H265 WeakPolarHBondContact CD1-NE2 3.24Å; Y246-H265 AromaticContact CD2-CD2 3.76Å; Y246-H265 AromaticContact CD2-NE2 3.91Å; Y246-H265 AromaticContact CE1-NE2 3.61Å; Y246-H265 AromaticContact CG-CD2 3.7Å; Y246-H265 AromaticContact CG-NE2 3.48Å; Y246-I267 WeakPolarHBondContact OH-CD1 3.45Å; Y246-I294 HydrophobicContact CD2-CD1 4.38Å; Y246-I294 HydrophobicContact CE2-CG2 4.28Å
247	K	82.6	Confident	70.9	Confident	133 Å²	133	96.6 Å²	96.6	58%	0.578	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	31	178.3	-56.2	-177.1	-180	-178.3	0	115.2	I243 R244 S249 E250	I243-K247 CarbonylContact O-C 3.57Å; I243-K247 WeakPolarHBondContact O-CA 3.45Å; I243-K247 PolarHBondContact O-N 3.46Å; R244-K247 PolarHBondContact O-N 3.03Å; R244-K247 VanDerWaalsContact O-N 3.07Å; K247-S249 VanDerWaalsContact C-N 3.28Å; K247-S249 PolarHBondContact O-N 3.23Å; K247-E250 PolarHBondContact O-N 3.25Å
248	L	79.3	Confident	70.7	Confident	1 Å²	1	93.6 Å²	93.6	1%	0.005	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-67.1	-26	-174.6	-54.2	-179.6	0	0	0	113.2	H132 I243 Y246 E250 H251 L263 H265 F292 I294	H132-L248 HydrophobicContact CB-CD2 4.28Å; H132-L248 VanDerWaalsContact ND1-CD2 3.33Å; H132-L248 WeakPolarHBondContact ND1-CD2 3.4Å; I243-L248 HydrophobicContact CG1-CD1 4.37Å; I243-L248 HydrophobicContact CG2-CB 4.19Å; I243-L248 PolarHBondContact O-N 3.23Å; Y246-L248 PolarHBondContact O-N 3.03Å; L248-E250 VanDerWaalsContact C-N 3.33Å; L248-E250 PolarHBondContact O-N 2.86Å; L248-H251 PolarHBondContact O-N 3.31Å; L248-L263 HydrophobicContact CB-CD2 4.04Å; L248-L263 HydrophobicContact CD2-CD2 3.89Å; L248-L263 HydrophobicContact CG-CD2 4.48Å; L248-H265 HydrophobicContact CD2-CB 4.21Å; L248-F292 HydrophobicContact CB-CD1 3.89Å; L248-F292 HydrophobicContact CB-CE1 3.82Å; L248-F292 HydrophobicContact CD1-CD1 4.08Å; L248-I294 HydrophobicContact CD1-CD1 3.7Å; L248-I294 HydrophobicContact CD1-CG1 3.99Å
249	S	68.5	Low	70.9	Confident	56 Å²	56	89.7 Å²	89.7	39%	0.392	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-72	-22.4	-177.2	58.2	0	0	0	0	114.3	K247 H251 S252	K247-S249 VanDerWaalsContact C-N 3.28Å; K247-S249 PolarHBondContact O-N 3.23Å; S249-H251 PolarHBondContact O-N 3.42Å; S249-S252 PolarHBondContact O-N 3.13Å; S249-S252 VanDerWaalsContact O-N 3.1Å; S249-S252 PolarHBondContact O-OG 3.16Å
250	E	59.9	Low	71.2	Confident	151 Å²	151	91.4 Å²	91.4	71%	0.706	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-63.7	-21.5	178	-70.4	-177.9	-177.4	0	0	111.6	K247 L248	K247-E250 PolarHBondContact O-N 3.25Å; L248-E250 VanDerWaalsContact C-N 3.33Å; L248-E250 PolarHBondContact O-N 2.86Å
251	H	53.3	Low	71.6	Confident	102 Å²	102	90 Å²	90	47%	0.472	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-90.4	-12.2	178	-67.8	22.6	0	0	0	113.1	L248 S249 T253 L263	L248-H251 PolarHBondContact O-N 3.31Å; S249-H251 PolarHBondContact O-N 3.42Å; H251-T253 PolarHBondContact O-N 2.86Å; H251-L263 HydrophobicContact CB-CD2 4.45Å
252	S	52.8	Low	72.1	Confident	31 Å²	31	84.9 Å²	84.9	22%	0.217	38%	0.383	C	S	.	.	S	Bend	trans	-82.6	112.5	-173.7	70.3	0	0	0	0	112.5	S249 R254 N289	S249-S252 PolarHBondContact O-N 3.13Å; S249-S252 VanDerWaalsContact O-N 3.1Å; S249-S252 PolarHBondContact O-OG 3.16Å; S252-R254 PolarHBondContact O-N 2.78Å; S252-N289 WeakPolarHBondContact CB-O 3.26Å; S252-N289 PolarHBondContact OG-O 3.08Å
253	T	49.3	Very low	72.5	Confident	102 Å²	102	83.8 Å²	83.8	63%	0.626	38%	0.378	S	S	*	.			trans	-64.7	116.4	177.7	60.1	0	0	0	0	111.2	H251 R255	H251-T253 PolarHBondContact O-N 2.86Å; T253-R255 PolarHBondContact O-N 3.16Å
254	R	50.2	Low	73.2	Confident	254 Å²	254	83.2 Å²	83.2	96%	0.958	37%	0.374	S	S	*	.			trans	-59.2	9.9	178	-77.6	-174.3	175.6	-177.7	-0.8	116.1	S252 R256	S252-R254 PolarHBondContact O-N 2.78Å; R254-R256 PolarHBondContact O-N 2.91Å
255	R	49.4	Very low	73.7	Confident	189 Å²	189	74.5 Å²	74.5	71%	0.713	34%	0.342	S	S	*	.	S	Bend	trans	-86.6	104.9	-170.4	-77.7	-167.5	179.5	-176	3.1	112.4	T253 G257	T253-R255 PolarHBondContact O-N 3.16Å; R255-G257 PolarHBondContact O-N 3.03Å
256	R	56.7	Low	74.1	Confident	175 Å²	175	68.6 Å²	68.6	66%	0.66	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.6	47.6	154.5	-62.2	-171.7	-175.8	179.2	-0.5	115.5	Q179 R254 I258	Q179-R256 PolarHBondContact NE2-O 3.01Å; Q179-R256 PolarHBondContact OE1-O 2.92Å; R254-R256 PolarHBondContact O-N 2.91Å; R256-I258 WeakPolarHBondContact O-CG1 3.49Å; R256-I258 PolarHBondContact O-N 2.97Å
257	G	63.9	Low	74.4	Confident	22 Å²	22	69.2 Å²	69.2	23%	0.227	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	17.1	165.5	0	0	0	0	0	117.9	Y120 Q179 R255	Y120-G257 WeakPolarHBondContact CD1-O 3.06Å; Q179-G257 VanDerWaalsContact NE2-CA 3.26Å; R255-G257 PolarHBondContact O-N 3.03Å
258	I	74.8	Confident	74.9	Confident	68 Å²	68	66.7 Å²	66.7	35%	0.349	32%	0.316	S	S	.	.			trans	-97.7	120.1	174.3	-66.5	167.5	0	0	0	107.1	N121 D123 R256 K260	N121-I258 HydrophobicContact CB-CG1 4.33Å; N121-I258 CarbonylContact O-C 3.58Å; N121-I258 WeakPolarHBondContact O-CA 3.48Å; D123-I258 HydrophobicContact CB-CG2 3.69Å; R256-I258 WeakPolarHBondContact O-CG1 3.49Å; R256-I258 PolarHBondContact O-N 2.97Å; I258-K260 HydrophobicContact CG2-CG 4.41Å
259	Q	82.8	Confident	75.3	Confident	9 Å²	9	67.5 Å²	67.5	4%	0.042	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-74.6	125.1	178.9	-55.4	-62.3	-16.4	0	0	109.6	Y120 N121 V122 D123 S287 G290 I291 V323	Y120-Q259 HydrophobicContact CG-CG 4.28Å; N121-Q259 PolarHBondContact O-N 3.02Å; V122-Q259 HydrophobicContact CG2-CB 4.36Å; D123-Q259 PolarHBondContact N-O 3.09Å; Q259-S287 PolarHBondContact NE2-O 2.62Å; Q259-G290 VanDerWaalsContact OE1-CA 3.27Å; Q259-I291 HydrophobicContact CB-CD1 3.98Å; Q259-I291 HydrophobicContact CB-CG1 4.41Å; Q259-I291 HydrophobicContact CG-CD1 4.08Å; Q259-I291 HydrophobicContact CG-CG1 4.17Å; Q259-V323 HydrophobicContact CG-CG1 4.22Å
260	K	85.7	Confident	76.1	Confident	43 Å²	43	71.5 Å²	71.5	19%	0.187	34%	0.338	C	S	.	.			trans	-123	-12.7	-178.3	-67.4	171.6	-173.7	155.6	0	113.4	D123 R126 F127 H128 I258	D123-K260 HydrophobicContact CB-CG 3.98Å; R126-K260 CarbonylContact C-O 3.57Å; F127-K260 WeakPolarHBondContact CA-O 3.38Å; H128-K260 PolarHBondContact N-O 3.02Å; H128-K260 PolarHBondContact ND1-O 2.92Å; I258-K260 HydrophobicContact CG2-CG 4.41Å
261	S	90	Very high	77.2	Confident	27 Å²	27	65.5 Å²	65.5	19%	0.189	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	161.3	174.1	51.5	0	0	0	0	110.9	H128 E130	H128-S261 WeakPolarHBondContact O-CA 3.48Å; H128-S261 VanDerWaalsContact O-CB 3.25Å; H128-S261 WeakPolarHBondContact O-CB 3.2Å; E130-S261 WeakPolarHBondContact OE1-CB 3.37Å; E130-S261 PolarHBondContact OE1-OG 3.23Å
262	A	93.7	Very high	78.9	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.4	167.8	0	0	0	0	0	108.7	F127 H128 F129 E130 I291 L308	F127-A262 HydrophobicContact CE2-CB 4.31Å; F127-A262 HydrophobicContact CZ-CB 3.96Å; H128-A262 PolarHBondContact O-N 3.17Å; H128-A262 VanDerWaalsContact O-N 3.13Å; F129-A262 WeakPolarHBondContact CA-O 3.14Å; F129-A262 HydrophobicContact CD1-CB 3.68Å; F129-A262 HydrophobicContact CE1-CB 3.74Å; E130-A262 PolarHBondContact N-O 3.3Å; A262-I291 WeakPolarHBondContact CA-O 3.47Å; A262-I291 HydrophobicContact CB-CB 3.79Å; A262-I291 HydrophobicContact CB-CG2 3.61Å; A262-L308 HydrophobicContact CB-CD2 3.82Å
263	L	93.8	Very high	80.8	Confident	8 Å²	8	70.5 Å²	70.5	4%	0.042	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	123.5	-177.3	-172.7	68.3	0	0	0	109.9	E130 H132 L248 H251 I291 F292 I293	E130-L263 HydrophobicContact CB-CD1 3.72Å; E130-L263 CarbonylContact O-C 3.6Å; E130-L263 WeakPolarHBondContact O-CA 3.34Å; H132-L263 HydrophobicContact CB-CD1 3.93Å; H132-L263 HydrophobicContact CB-CD2 4.22Å; H132-L263 HydrophobicContact CB-CG 4.02Å; L248-L263 HydrophobicContact CB-CD2 4.04Å; L248-L263 HydrophobicContact CD2-CD2 3.89Å; L248-L263 HydrophobicContact CG-CD2 4.48Å; H251-L263 HydrophobicContact CB-CD2 4.45Å; L263-I291 PolarHBondContact N-O 2.85Å; L263-F292 HydrophobicContact CB-CD1 4.01Å; L263-F292 HydrophobicContact CB-CE1 4.42Å; L263-F292 HydrophobicContact CD2-CD1 4.12Å; L263-F292 HydrophobicContact CD2-CE1 4.17Å; L263-F292 WeakPolarHBondContact O-CA 3.4Å; L263-I293 PolarHBondContact O-N 3.41Å
264	L	94.8	Very high	83.1	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.005	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124.5	176.5	-82.5	70	0	0	0	110.1	F129 E130 F131 H132 V143 I293 L305	F129-L264 HydrophobicContact CB-CD1 4.19Å; F129-L264 HydrophobicContact CD1-CD1 3.5Å; F129-L264 HydrophobicContact CE1-CD1 4.28Å; F129-L264 HydrophobicContact CG-CD1 4.22Å; E130-L264 PolarHBondContact O-N 2.84Å; F131-L264 HydrophobicContact CD1-CB 4.13Å; F131-L264 HydrophobicContact CE1-CB 4.5Å; F131-L264 HydrophobicContact CE1-CD2 4.07Å; H132-L264 WeakPolarHBondContact CB-O 3.31Å; H132-L264 PolarHBondContact N-O 3.5Å; V143-L264 HydrophobicContact CG2-CD2 4.01Å; L264-I293 WeakPolarHBondContact CA-O 3.29Å; L264-I293 HydrophobicContact CD1-CD1 4.23Å; L264-I293 HydrophobicContact CG-CB 4.26Å; L264-I293 HydrophobicContact CG-CD1 4.45Å; L264-L305 HydrophobicContact CD1-CD2 4.1Å; L264-L305 HydrophobicContact CD2-CD1 3.93Å; L264-L305 HydrophobicContact CD2-CD2 3.92Å; L264-L305 HydrophobicContact CD2-CG 4.01Å; L264-L305 HydrophobicContact CG-CD2 4.46Å
265	H	94.5	Very high	85.3	Confident	12 Å²	12	57 Å²	57	6%	0.056	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	111.3	172	-178.8	50.4	0	0	0	110	H132 T133 Y246 L248 I293 I294 A295	H132-H265 HydrophobicContact CB-CB 4.1Å; H132-H265 AromaticContact CE1-ND1 3.98Å; H132-H265 AromaticContact CG-ND1 3.95Å; H132-H265 AromaticContact ND1-CE1 3.59Å; H132-H265 AromaticContact ND1-CG 3.53Å; H132-H265 AromaticContact ND1-ND1 3.03Å; H132-H265 PolarHBondContact ND1-ND1 3.3Å; T133-H265 VanDerWaalsContact CG2-CE1 3.45Å; T133-H265 WeakPolarHBondContact CG2-CE1 3.25Å; T133-H265 VanDerWaalsContact CG2-ND1 3.32Å; T133-H265 WeakPolarHBondContact CG2-ND1 3.14Å; Y246-H265 AromaticContact CD1-NE2 3.3Å; Y246-H265 VanDerWaalsContact CD1-NE2 3.3Å; Y246-H265 WeakPolarHBondContact CD1-NE2 3.24Å; Y246-H265 AromaticContact CD2-CD2 3.76Å; Y246-H265 AromaticContact CD2-NE2 3.91Å; Y246-H265 AromaticContact CE1-NE2 3.61Å; Y246-H265 AromaticContact CG-CD2 3.7Å; Y246-H265 AromaticContact CG-NE2 3.48Å; L248-H265 HydrophobicContact CD2-CB 4.21Å; H265-I293 PolarHBondContact N-O 2.85Å; H265-I294 HydrophobicContact CB-CG1 4.42Å; H265-I294 WeakPolarHBondContact O-CA 3.45Å; H265-A295 PolarHBondContact O-N 3.14Å
266	V	94.8	Very high	87.5	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.018	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.2	174	-174.6	0	0	0	0	108.1	T133 L139 P269 A295 E297 A301	T133-V266 PolarHBondContact OG1-N 3.07Å; T133-V266 PolarHBondContact OG1-O 2.91Å; L139-V266 HydrophobicContact CD1-CB 4.38Å; L139-V266 HydrophobicContact CD1-CG2 3.85Å; L139-V266 HydrophobicContact CD2-CG2 4.38Å; V266-P269 HydrophobicContact CB-CB 4.5Å; V266-P269 HydrophobicContact CG1-CB 4.23Å; V266-A295 WeakPolarHBondContact CA-O 3.09Å; V266-E297 VanDerWaalsContact CG1-C 3.48Å; V266-A301 HydrophobicContact CG2-CB 3.67Å
267	I	92.5	Very high	89.3	Confident	66 Å²	66	45.1 Å²	45.1	34%	0.338	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	-49.9	-176.3	-59.5	174.1	0	0	0	109.9	Y246 P269 A295	Y246-I267 WeakPolarHBondContact OH-CD1 3.45Å; I267-P269 WeakPolarHBondContact O-CD 3.45Å; I267-A295 PolarHBondContact N-O 3.21Å
268	N	91.7	Very high	90.8	Very high	81 Å²	81	44.8 Å²	44.8	43%	0.433	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	84.2	-179	-58.1	-46.1	0	0	0	110.2	D270 N296	N268-D270 PolarHBondContact O-N 3.33Å; N268-N296 WeakPolarHBondContact CB-O 3.43Å; N268-N296 PolarHBondContact N-O 2.84Å; N268-N296 PolarHBondContact ND2-OD1 3.13Å
269	P	88.1	Confident	91.9	Very high	17 Å²	17	43.6 Å²	43.6	11%	0.11	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-5.6	-178.3	31.8	-36	0	0	0	113.7	I134 N136 L139 V266 I267 S271 T298	I134-P269 WeakPolarHBondContact O-CB 3.34Å; I134-P269 WeakPolarHBondContact O-CG 3.43Å; N136-P269 PolarHBondContact ND2-O 2.79Å; L139-P269 HydrophobicContact CD1-CB 4.49Å; V266-P269 HydrophobicContact CB-CB 4.5Å; V266-P269 HydrophobicContact CG1-CB 4.23Å; I267-P269 WeakPolarHBondContact O-CD 3.45Å; P269-S271 PolarHBondContact O-N 3.17Å; P269-S271 VanDerWaalsContact O-N 3.15Å; P269-T298 PolarHBondContact O-OG1 3.32Å
270	D	85.3	Confident	92.7	Very high	141 Å²	141	43.4 Å²	43.4	75%	0.754	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	0.3	-168.5	-65.6	-28	0	0	0	115.5	N268 K272	N268-D270 PolarHBondContact O-N 3.33Å; D270-K272 PolarHBondContact O-N 2.52Å
271	S	82.9	Confident	93.2	Very high	24 Å²	24	43.1 Å²	43.1	17%	0.168	23%	0.228	C	C	.	.			trans	-66.9	124.2	179.5	-161.2	0	0	0	0	111.6	P269 W299	P269-S271 PolarHBondContact O-N 3.17Å; P269-S271 VanDerWaalsContact O-N 3.15Å; S271-W299 WeakPolarHBondContact OG-CZ2 3.18Å; S271-W299 PolarHBondContact OG-NE1 2.57Å
272	K	89.2	Confident	93.6	Very high	165 Å²	165	42 Å²	42	72%	0.717	22%	0.22	S	C	*	.			trans	-100.6	-40.5	-170.9	-64.1	-171.6	179.6	-178.2	0	114.5	D270 R413	D270-K272 PolarHBondContact O-N 2.52Å; K272-R413 WeakPolarHBondContact O-CD 3.31Å; K272-R413 PolarHBondContact O-NH1 3.06Å
273	L	93.6	Very high	93.6	Very high	73 Å²	73	43.8 Å²	43.8	38%	0.382	23%	0.228	S	C	.	.	S	Bend	trans	-126.8	137.5	-177.8	-73.2	169.8	0	0	0	109.1	H275 W299 R413 L479	L273-H275 PolarHBondContact O-CD2 2.72Å; L273-W299 WeakPolarHBondContact O-CZ2 3.39Å; L273-R413 HydrophobicContact CD2-CG 4.12Å; L273-L479 HydrophobicContact CD1-CB 4.31Å; L273-L479 HydrophobicContact CD1-CD1 4.4Å; L273-L479 HydrophobicContact CD2-CB 4.46Å; L273-L479 HydrophobicContact CD2-CD1 3.95Å
274	P	96.9	Very high	93.7	Very high	13 Å²	13	43.4 Å²	43.4	8%	0.084	23%	0.226	C	C	.	.			trans	-66.3	144.7	173.2	30.3	-35	0	0	0	109.8	M278 W299 I417 R418	P274-M278 HydrophobicContact CB-CE 4.29Å; P274-M278 HydrophobicContact CB-SD 3.54Å; P274-M278 VanDerWaalsContact CB-SD 3.54Å; P274-W299 HydrophobicContact CB-CH2 4.13Å; P274-W299 HydrophobicContact CB-CZ2 4.21Å; P274-W299 HydrophobicContact CB-CZ3 4.33Å; P274-W299 HydrophobicContact CG-CH2 4.45Å; P274-I417 WeakPolarHBondContact CG-O 3.29Å; P274-R418 HydrophobicContact CB-CG 3.9Å; P274-R418 HydrophobicContact CG-CG 4.08Å
275	H	96.2	Very high	93.6	Very high	60 Å²	60	43.4 Å²	43.4	28%	0.278	23%	0.227	S	C	.	.			trans	-148.4	165.9	-177.1	59.9	93	0	0	0	111	L273 N277 M278	L273-H275 PolarHBondContact O-CD2 2.72Å; H275-N277 PolarHBondContact CE1-O 2.99Å; H275-N277 PolarHBondContact ND1-N 2.7Å; H275-N277 PolarHBondContact O-N 3.39Å; H275-N277 VanDerWaalsContact O-N 3.11Å; H275-M278 VanDerWaalsContact CE1-CA 3.41Å; H275-M278 WeakPolarHBondContact CE1-CA 3.16Å; H275-M278 PolarHBondContact CE1-N 3.45Å; H275-M278 VanDerWaalsContact CE1-N 3.26Å; H275-M278 PolarHBondContact ND1-N 2.74Å; H275-M278 VanDerWaalsContact O-CB 3.26Å; H275-M278 WeakPolarHBondContact O-CB 3.34Å; H275-M278 WeakPolarHBondContact O-CG 3.25Å; H275-M278 PolarHBondContact O-N 3.26Å; H275-M278 VanDerWaalsContact O-N 3.11Å
276	V	95.3	Very high	93.4	Very high	14 Å²	14	42.8 Å²	42.8	9%	0.085	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-29.1	-173.9	67.7	0	0	0	0	114.3	Y482 F560	V276-Y482 HydrophobicContact CG1-CE2 4.46Å; V276-F560 HydrophobicContact CG2-CE2 4.39Å; V276-F560 HydrophobicContact CG2-CZ 4.48Å
277	N	94.7	Very high	93	Very high	101 Å²	101	43 Å²	43	54%	0.54	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	19.7	-178.2	-67.8	-47.6	0	0	0	113.3	H275 K335	H275-N277 PolarHBondContact CE1-O 2.99Å; H275-N277 PolarHBondContact ND1-N 2.7Å; H275-N277 PolarHBondContact O-N 3.39Å; H275-N277 VanDerWaalsContact O-N 3.11Å; N277-K335 PolarHBondContact OD1-NZ 3.02Å
278	M	96.4	Very high	92.3	Very high	15 Å²	15	42.2 Å²	42.2	7%	0.074	23%	0.234	C	C	.	.			trans	-70.2	147.1	-177.2	76.4	-174.9	173.4	0	0	111.9	P274 H275 E280 W299 N366	P274-M278 HydrophobicContact CB-CE 4.29Å; P274-M278 HydrophobicContact CB-SD 3.54Å; P274-M278 VanDerWaalsContact CB-SD 3.54Å; H275-M278 VanDerWaalsContact CE1-CA 3.41Å; H275-M278 WeakPolarHBondContact CE1-CA 3.16Å; H275-M278 PolarHBondContact CE1-N 3.45Å; H275-M278 VanDerWaalsContact CE1-N 3.26Å; H275-M278 PolarHBondContact ND1-N 2.74Å; H275-M278 VanDerWaalsContact O-CB 3.26Å; H275-M278 WeakPolarHBondContact O-CB 3.34Å; H275-M278 WeakPolarHBondContact O-CG 3.25Å; H275-M278 PolarHBondContact O-N 3.26Å; H275-M278 VanDerWaalsContact O-N 3.11Å; M278-E280 VanDerWaalsContact CE-CD 3.42Å; M278-E280 HydrophobicContact CE-CG 3.93Å; M278-E280 WeakPolarHBondContact CE-OE1 3.46Å; M278-E280 HydrophobicContact CG-CG 3.9Å; M278-E280 PolarHBondContact O-N 3.44Å; M278-W299 VanDerWaalsContact CB-CD1 3.47Å; M278-W299 HydrophobicContact CB-CG 4.22Å; M278-W299 HydrophobicContact CG-CB 4.47Å; M278-W299 HydrophobicContact CG-CG 4.12Å; M278-W299 HydrophobicContact SD-CB 4.28Å; M278-W299 HydrophobicContact SD-CD2 3.98Å; M278-W299 HydrophobicContact SD-CG 3.76Å; M278-N366 HydrophobicContact CE-CB 3.61Å; M278-N366 WeakPolarHBondContact CE-ND2 3.45Å
279	D	97.6	Very high	91.7	Very high	43 Å²	43	42.9 Å²	42.9	23%	0.23	24%	0.237	C	C	.	.			trans	-88.9	106.4	-178.7	-165.8	-24.2	0	0	0	111.2	S281 N296 E297 G300	D279-S281 WeakPolarHBondContact OD1-CB 3.34Å; D279-S281 PolarHBondContact OD1-N 3.31Å; D279-S281 PolarHBondContact OD1-OG 3.34Å; D279-N296 HydrophobicContact CB-CB 4.47Å; D279-N296 VanDerWaalsContact OD2-CB 3.25Å; D279-N296 WeakPolarHBondContact OD2-CB 3.22Å; D279-N296 PolarHBondContact OD2-ND2 3.22Å; D279-E297 HydrophobicContact CB-CB 4.14Å; D279-E297 HydrophobicContact CB-CG 3.85Å; D279-E297 PolarHBondContact N-OE2 2.84Å; D279-G300 PolarHBondContact O-N 3.18Å
280	E	98.2	Very high	91.6	Very high	5 Å²	5	42.6 Å²	42.6	2%	0.023	24%	0.237	C	C	.	.			trans	-98.9	9.2	178.4	-57.3	-171.5	-104.5	0	0	113.1	M278 W299 G300 R303 P332 R337 N366 W648	M278-E280 VanDerWaalsContact CE-CD 3.42Å; M278-E280 HydrophobicContact CE-CG 3.93Å; M278-E280 WeakPolarHBondContact CE-OE1 3.46Å; M278-E280 HydrophobicContact CG-CG 3.9Å; M278-E280 PolarHBondContact O-N 3.44Å; E280-W299 HydrophobicContact CG-CB 4Å; E280-G300 VanDerWaalsContact C-CA 3.47Å; E280-G300 WeakPolarHBondContact O-CA 3.36Å; E280-R303 HydrophobicContact CB-CG 4.42Å; E280-R303 IonicContact OE2-CZ 3.91Å; E280-R303 VanDerWaalsContact OE2-CZ 3.27Å; E280-R303 IonicContact OE2-NE 3.86Å; E280-R303 PolarHBondContact OE2-NE 2.76Å; E280-R303 IonicContact OE2-NH2 3.44Å; E280-R303 PolarHBondContact OE2-NH2 2.78Å; E280-P332 HydrophobicContact CB-CG 3.99Å; E280-R337 IonicContact OE1-CZ 3.64Å; E280-R337 VanDerWaalsContact OE1-CZ 3.27Å; E280-R337 IonicContact OE1-NH1 3.23Å; E280-R337 PolarHBondContact OE1-NH1 3.29Å; E280-R337 IonicContact OE1-NH2 2.87Å; E280-R337 PolarHBondContact OE1-NH2 2.9Å; E280-R337 IonicContact OE2-CZ 3.94Å; E280-R337 IonicContact OE2-NH2 2.82Å; E280-R337 PolarHBondContact OE2-NH2 2.8Å; E280-N366 PolarHBondContact OE1-ND2 3.36Å; E280-W648 HydrophobicContact CB-CH2 4.41Å
281	S	97.8	Very high	92	Very high	37 Å²	37	36 Å²	36	26%	0.259	20%	0.202	S	C	.	.			trans	-74	142.3	179.7	71.3	0	0	0	0	111.9	D279 G300 D330	D279-S281 WeakPolarHBondContact OD1-CB 3.34Å; D279-S281 PolarHBondContact OD1-N 3.31Å; D279-S281 PolarHBondContact OD1-OG 3.34Å; S281-G300 WeakPolarHBondContact O-CA 3.33Å; S281-D330 WeakPolarHBondContact CA-O 3.34Å
282	Y	97	Very high	92.5	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	163	175.5	67.6	-85.3	0	0	0	112.3	L284 I294 G300 R303 G304 T307 I328 D330 W648	Y282-L284 HydrophobicContact CD2-CB 4.23Å; Y282-L284 HydrophobicContact CE2-CB 4.25Å; Y282-I294 CarbonylContact C-O 3.54Å; Y282-I294 WeakPolarHBondContact CA-O 3.18Å; Y282-G300 WeakPolarHBondContact CB-O 3.46Å; Y282-G300 WeakPolarHBondContact CD1-O 3.29Å; Y282-R303 HydrophobicContact CD1-CB 3.69Å; Y282-R303 HydrophobicContact CE1-CB 3.51Å; Y282-G304 VanDerWaalsContact CD2-CA 3.46Å; Y282-T307 HydrophobicContact CE2-CG2 4.42Å; Y282-T307 PolarHBondContact OH-OG1 3.21Å; Y282-I328 HydrophobicContact CE2-CG2 3.99Å; Y282-D330 HydrophobicContact CD1-CB 4.34Å; Y282-D330 HydrophobicContact CE1-CB 3.67Å; Y282-D330 HydrophobicContact CE2-CB 3.97Å; Y282-D330 VanDerWaalsContact CZ-CB 3.44Å; Y282-D330 PolarHBondContact N-O 2.98Å; Y282-D330 PolarHBondContact O-N 3.12Å; Y282-D330 WeakPolarHBondContact OH-CB 3.44Å; Y282-D330 PolarHBondContact OH-OD2 2.88Å; Y282-W648 HydrophobicContact CE1-CH2 4.31Å; Y282-W648 AromaticContact CE1-CZ2 3.87Å; Y282-W648 HydrophobicContact CE1-CZ2 3.87Å
283	I	95.5	Very high	92.8	Very high	36 Å²	36	27.3 Å²	27.3	19%	0.185	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	125.8	176.5	-84	174.9	0	0	0	106.6	M239 L242 I293 I294 I328 V329	M239-I283 HydrophobicContact CE-CB 4.13Å; M239-I283 HydrophobicContact CE-CG1 4.27Å; M239-I283 HydrophobicContact CE-CG2 3.26Å; M239-I283 HydrophobicContact SD-CG2 3.21Å; M239-I283 WeakPolarHBondContact SD-CG2 3.24Å; L242-I283 HydrophobicContact CD1-CD1 3.36Å; L242-I283 HydrophobicContact CD1-CG2 4.39Å; I283-I293 CarbonylContact O-C 3.53Å; I283-I293 WeakPolarHBondContact O-CA 3.33Å; I283-I294 HydrophobicContact CB-CB 4.19Å; I283-I294 HydrophobicContact CG2-CB 4.13Å; I283-I294 HydrophobicContact CG2-CD1 4.21Å; I283-I294 HydrophobicContact CG2-CG1 4.38Å; I283-I294 PolarHBondContact N-O 3.46Å; I283-I294 PolarHBondContact O-N 2.82Å; I283-I328 WeakPolarHBondContact CA-O 3.02Å; I283-V329 HydrophobicContact CG1-CG1 4.29Å; I283-V329 HydrophobicContact CG1-CG2 4.23Å
284	L	95.3	Very high	92.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.3	175.8	171.8	67.5	0	0	0	109.5	Y282 I291 F292 I293 T307 L308 L311 I328	Y282-L284 HydrophobicContact CD2-CB 4.23Å; Y282-L284 HydrophobicContact CE2-CB 4.25Å; L284-I291 HydrophobicContact CD1-CG2 4.13Å; L284-F292 WeakPolarHBondContact CA-O 3.29Å; L284-I293 HydrophobicContact CD1-CD1 4.21Å; L284-I293 HydrophobicContact CD1-CG1 3.46Å; L284-I293 VanDerWaalsContact CD1-CG1 3.46Å; L284-T307 HydrophobicContact CD2-CG2 4Å; L284-L308 HydrophobicContact CD1-CB 4.24Å; L284-L308 HydrophobicContact CD1-CD1 4.3Å; L284-L308 HydrophobicContact CD2-CB 4.06Å; L284-L311 HydrophobicContact CD2-CD1 3.39Å; L284-L311 HydrophobicContact CG-CD1 4.49Å; L284-I328 HydrophobicContact CB-CB 4.19Å; L284-I328 HydrophobicContact CD2-CD1 4.3Å; L284-I328 PolarHBondContact N-O 2.82Å; L284-I328 PolarHBondContact O-N 2.92Å
285	C	92.7	Very high	92.8	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.007	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	125.9	179.8	170.5	0	0	0	0	109.6	M239 I291 F292 Y327	M239-C285 HydrophobicContact SD-CB 3.8Å; C285-I291 CarbonylContact O-C 3.37Å; C285-I291 VanDerWaalsContact O-CA 3.27Å; C285-I291 WeakPolarHBondContact O-CA 3.31Å; C285-F292 HydrophobicContact CB-CB 4.41Å; C285-F292 HydrophobicContact CB-CD2 4.42Å; C285-F292 PolarHBondContact N-O 3.48Å; C285-F292 PolarHBondContact O-N 3.21Å; C285-Y327 HydrophobicContact CB-CD1 4.24Å; C285-Y327 WeakPolarHBondContact SG-CE1 3.24Å
286	V	90.6	Very high	92.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	114.2	168.3	179.6	0	0	0	0	107.3	Y120 I291 L308 V323 N324 Q325 T326	Y120-V286 HydrophobicContact CD2-CG1 3.79Å; Y120-V286 HydrophobicContact CE2-CG1 4.1Å; V286-I291 HydrophobicContact CG1-CG1 4.26Å; V286-I291 HydrophobicContact CG2-CG1 4.24Å; V286-I291 HydrophobicContact CG2-CG2 4.21Å; V286-L308 HydrophobicContact CG2-CD1 4.39Å; V286-V323 HydrophobicContact CB-CG2 4.49Å; V286-V323 HydrophobicContact CG1-CB 4.5Å; V286-V323 HydrophobicContact CG1-CG1 3.83Å; V286-V323 HydrophobicContact CG1-CG2 3.98Å; V286-V323 HydrophobicContact CG2-CG2 3.92Å; V286-N324 WeakPolarHBondContact CB-O 3.47Å; V286-N324 WeakPolarHBondContact CG1-O 3.28Å; V286-Q325 WeakPolarHBondContact O-CA 3.22Å; V286-Q325 VanDerWaalsContact O-CG 3.26Å; V286-Q325 WeakPolarHBondContact O-CG 3.25Å; V286-T326 HydrophobicContact CB-CG2 4Å; V286-T326 HydrophobicContact CG2-CG2 3.84Å; V286-T326 PolarHBondContact N-O 2.93Å; V286-T326 PolarHBondContact O-N 2.94Å
287	S	86.4	Confident	92.7	Very high	8 Å²	8	24.7 Å²	24.7	6%	0.056	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	176.8	-178.1	71.9	0	0	0	0	111.5	Y120 Q259 N289 G290	Y120-S287 VanDerWaalsContact CZ-C 3.47Å; Q259-S287 PolarHBondContact NE2-O 2.62Å; S287-N289 PolarHBondContact O-N 2.85Å; S287-N289 VanDerWaalsContact O-N 3.12Å; S287-N289 PolarHBondContact OG-N 2.81Å; S287-G290 PolarHBondContact N-O 3.11Å; S287-G290 PolarHBondContact O-N 3.23Å
288	G	77.7	Confident	92.8	Very high	49 Å²	49	19.9 Å²	19.9	51%	0.505	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.2	173.1	0	0	0	0	0	113.3	Y120	Y120-G288 VanDerWaalsContact CZ-N 3.32Å; Y120-G288 PolarHBondContact OH-N 3.11Å
289	N	78.1	Confident	92.8	Very high	95 Å²	95	19.2 Å²	19.2	51%	0.508	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-6.9	174.3	-63.4	-30.2	0	0	0	113.2	S252 S287 F292	S252-N289 WeakPolarHBondContact CB-O 3.26Å; S252-N289 PolarHBondContact OG-O 3.08Å; S287-N289 PolarHBondContact O-N 2.85Å; S287-N289 VanDerWaalsContact O-N 3.12Å; S287-N289 PolarHBondContact OG-N 2.81Å; N289-F292 HydrophobicContact CB-CE2 4.27Å; N289-F292 VanDerWaalsContact O-CZ 3.32Å; N289-F292 WeakPolarHBondContact O-CZ 3.14Å
290	G	86.6	Confident	92.9	Very high	10 Å²	10	17.1 Å²	17.1	10%	0.103	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	131.4	-176	-179.3	0	0	0	0	0	114.4	Q259 S287	Q259-G290 VanDerWaalsContact OE1-CA 3.27Å; S287-G290 PolarHBondContact N-O 3.11Å; S287-G290 PolarHBondContact O-N 3.23Å
291	I	92.6	Very high	92.8	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.015	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.4	172.9	-54.6	177.1	0	0	0	108.5	F127 Q259 A262 L263 L284 C285 V286 L308 M312 V323	F127-I291 HydrophobicContact CE2-CD1 4.24Å; Q259-I291 HydrophobicContact CB-CD1 3.98Å; Q259-I291 HydrophobicContact CB-CG1 4.41Å; Q259-I291 HydrophobicContact CG-CD1 4.08Å; Q259-I291 HydrophobicContact CG-CG1 4.17Å; A262-I291 WeakPolarHBondContact CA-O 3.47Å; A262-I291 HydrophobicContact CB-CB 3.79Å; A262-I291 HydrophobicContact CB-CG2 3.61Å; L263-I291 PolarHBondContact N-O 2.85Å; L284-I291 HydrophobicContact CD1-CG2 4.13Å; C285-I291 CarbonylContact O-C 3.37Å; C285-I291 VanDerWaalsContact O-CA 3.27Å; C285-I291 WeakPolarHBondContact O-CA 3.31Å; V286-I291 HydrophobicContact CG1-CG1 4.26Å; V286-I291 HydrophobicContact CG2-CG1 4.24Å; V286-I291 HydrophobicContact CG2-CG2 4.21Å; I291-L308 HydrophobicContact CD1-CD1 4.28Å; I291-L308 HydrophobicContact CG2-CD1 3.78Å; I291-L308 HydrophobicContact CG2-CD2 3.74Å; I291-L308 HydrophobicContact CG2-CG 4.42Å; I291-M312 HydrophobicContact CD1-CE 4.5Å; I291-V323 HydrophobicContact CD1-CG1 4.21Å
292	F	94.1	Very high	92.8	Very high	6 Å²	6	15.3 Å²	15.3	3%	0.026	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.5	-177.8	-52.9	-83.7	0	0	0	110.3	I243 L248 L263 L284 C285 N289	I243-F292 HydrophobicContact CD1-CD2 3.93Å; I243-F292 HydrophobicContact CD1-CE2 4.02Å; I243-F292 HydrophobicContact CG1-CD2 4.38Å; L248-F292 HydrophobicContact CB-CD1 3.89Å; L248-F292 HydrophobicContact CB-CE1 3.82Å; L248-F292 HydrophobicContact CD1-CD1 4.08Å; L263-F292 HydrophobicContact CB-CD1 4.01Å; L263-F292 HydrophobicContact CB-CE1 4.42Å; L263-F292 HydrophobicContact CD2-CD1 4.12Å; L263-F292 HydrophobicContact CD2-CE1 4.17Å; L263-F292 WeakPolarHBondContact O-CA 3.4Å; L284-F292 WeakPolarHBondContact CA-O 3.29Å; C285-F292 HydrophobicContact CB-CB 4.41Å; C285-F292 HydrophobicContact CB-CD2 4.42Å; C285-F292 PolarHBondContact N-O 3.48Å; C285-F292 PolarHBondContact O-N 3.21Å; N289-F292 HydrophobicContact CB-CE2 4.27Å; N289-F292 VanDerWaalsContact O-CZ 3.32Å; N289-F292 WeakPolarHBondContact O-CZ 3.14Å
293	I	95.7	Very high	92.9	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	122.1	168.5	-66	165.2	0	0	0	107.6	L263 L264 H265 I283 L284 L305 L308	L263-I293 PolarHBondContact O-N 3.41Å; L264-I293 WeakPolarHBondContact CA-O 3.29Å; L264-I293 HydrophobicContact CD1-CD1 4.23Å; L264-I293 HydrophobicContact CG-CB 4.26Å; L264-I293 HydrophobicContact CG-CD1 4.45Å; H265-I293 PolarHBondContact N-O 2.85Å; I283-I293 CarbonylContact O-C 3.53Å; I283-I293 WeakPolarHBondContact O-CA 3.33Å; L284-I293 HydrophobicContact CD1-CD1 4.21Å; L284-I293 HydrophobicContact CD1-CG1 3.46Å; L284-I293 VanDerWaalsContact CD1-CG1 3.46Å; I293-L305 HydrophobicContact CD1-CD2 3.97Å; I293-L305 HydrophobicContact CD1-CG 4.23Å; I293-L308 HydrophobicContact CD1-CB 4.37Å; I293-L308 HydrophobicContact CD1-CD2 4.08Å
294	I	95	Very high	93	Very high	11 Å²	11	13.5 Å²	13.5	6%	0.056	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.5	176	-53.8	172.4	0	0	0	107.8	L242 Y246 L248 H265 Y282 I283	L242-I294 HydrophobicContact CB-CD1 3.94Å; L242-I294 HydrophobicContact CD1-CD1 4.47Å; Y246-I294 HydrophobicContact CD2-CD1 4.38Å; Y246-I294 HydrophobicContact CE2-CG2 4.28Å; L248-I294 HydrophobicContact CD1-CD1 3.7Å; L248-I294 HydrophobicContact CD1-CG1 3.99Å; H265-I294 HydrophobicContact CB-CG1 4.42Å; H265-I294 WeakPolarHBondContact O-CA 3.45Å; Y282-I294 CarbonylContact C-O 3.54Å; Y282-I294 WeakPolarHBondContact CA-O 3.18Å; I283-I294 HydrophobicContact CB-CB 4.19Å; I283-I294 HydrophobicContact CG2-CB 4.13Å; I283-I294 HydrophobicContact CG2-CD1 4.21Å; I283-I294 HydrophobicContact CG2-CG1 4.38Å; I283-I294 PolarHBondContact N-O 3.46Å; I283-I294 PolarHBondContact O-N 2.82Å
295	A	95.7	Very high	93.1	Very high	2 Å²	2	13.5 Å²	13.5	2%	0.017	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	151.1	176.9	0	0	0	0	0	110.7	H265 V266 I267 E297 A301	H265-A295 PolarHBondContact O-N 3.14Å; V266-A295 WeakPolarHBondContact CA-O 3.09Å; I267-A295 PolarHBondContact N-O 3.21Å; A295-E297 WeakPolarHBondContact CB-O 3.01Å; A295-A301 HydrophobicContact CB-CB 3.99Å; A295-A301 VanDerWaalsContact CB-N 3.28Å
296	N	94.4	Very high	93.3	Very high	55 Å²	55	13.5 Å²	13.5	29%	0.294	9%	0.085	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	-43.6	176.5	-168.3	32.9	0	0	0	111	N268 D279	N268-N296 WeakPolarHBondContact CB-O 3.43Å; N268-N296 PolarHBondContact N-O 2.84Å; N268-N296 PolarHBondContact ND2-OD1 3.13Å; D279-N296 HydrophobicContact CB-CB 4.47Å; D279-N296 VanDerWaalsContact OD2-CB 3.25Å; D279-N296 WeakPolarHBondContact OD2-CB 3.22Å; D279-N296 PolarHBondContact OD2-ND2 3.22Å
297	E	95.5	Very high	93.7	Very high	37 Å²	37	13.5 Å²	13.5	17%	0.173	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	168.5	176.4	-68.2	-179	-174.4	0	0	112.2	V266 D279 A295 W299 G300 A301	V266-E297 VanDerWaalsContact CG1-C 3.48Å; D279-E297 HydrophobicContact CB-CB 4.14Å; D279-E297 HydrophobicContact CB-CG 3.85Å; D279-E297 PolarHBondContact N-OE2 2.84Å; A295-E297 WeakPolarHBondContact CB-O 3.01Å; E297-W299 PolarHBondContact O-N 2.77Å; E297-W299 VanDerWaalsContact OE2-CD1 3.22Å; E297-G300 PolarHBondContact O-N 2.7Å; E297-A301 PolarHBondContact O-N 2.54Å
298	T	95.9	Very high	94.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-48.7	-39.2	174.3	-64.4	0	0	0	0	112.9	N136 I138 L139 P269 A301 L302	N136-T298 PolarHBondContact ND2-OG1 3.12Å; I138-T298 HydrophobicContact CB-CG2 4.08Å; I138-T298 HydrophobicContact CG2-CG2 3.78Å; L139-T298 HydrophobicContact CD2-CG2 3.83Å; L139-T298 HydrophobicContact CG-CG2 3.81Å; P269-T298 PolarHBondContact O-OG1 3.32Å; T298-A301 WeakPolarHBondContact O-CB 3.26Å; T298-A301 PolarHBondContact O-N 2.99Å; T298-L302 WeakPolarHBondContact O-CG 3.42Å; T298-L302 PolarHBondContact O-N 2.63Å; T298-L302 VanDerWaalsContact O-N 3.12Å
299	W	97.6	Very high	95	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-67	-44.5	-174	-42	113.5	0	0	0	112.2	I138 S271 L273 P274 M278 E280 E297 A301 L302 R303	I138-W299 HydrophobicContact CD1-CH2 3.72Å; I138-W299 HydrophobicContact CD1-CZ3 4.01Å; I138-W299 HydrophobicContact CG2-CZ3 4.42Å; S271-W299 WeakPolarHBondContact OG-CZ2 3.18Å; S271-W299 PolarHBondContact OG-NE1 2.57Å; L273-W299 WeakPolarHBondContact O-CZ2 3.39Å; P274-W299 HydrophobicContact CB-CH2 4.13Å; P274-W299 HydrophobicContact CB-CZ2 4.21Å; P274-W299 HydrophobicContact CB-CZ3 4.33Å; P274-W299 HydrophobicContact CG-CH2 4.45Å; M278-W299 VanDerWaalsContact CB-CD1 3.47Å; M278-W299 HydrophobicContact CB-CG 4.22Å; M278-W299 HydrophobicContact CG-CB 4.47Å; M278-W299 HydrophobicContact CG-CG 4.12Å; M278-W299 HydrophobicContact SD-CB 4.28Å; M278-W299 HydrophobicContact SD-CD2 3.98Å; M278-W299 HydrophobicContact SD-CG 3.76Å; E280-W299 HydrophobicContact CG-CB 4Å; E297-W299 PolarHBondContact O-N 2.77Å; E297-W299 VanDerWaalsContact OE2-CD1 3.22Å; W299-A301 VanDerWaalsContact C-N 3.26Å; W299-A301 PolarHBondContact O-N 2.9Å; W299-L302 HydrophobicContact CE3-CD1 4Å; W299-L302 HydrophobicContact CZ3-CD1 4.39Å; W299-L302 WeakPolarHBondContact O-CB 3.12Å; W299-L302 PolarHBondContact O-N 3.43Å; W299-L302 VanDerWaalsContact O-N 3.12Å; W299-R303 WeakPolarHBondContact O-CG 3.36Å; W299-R303 PolarHBondContact O-N 3.46Å
300	G	97.8	Very high	95.8	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-58.4	-38.7	173	0	0	0	0	0	112.6	D279 E280 S281 Y282 E297 L302 R303 G304	D279-G300 PolarHBondContact O-N 3.18Å; E280-G300 VanDerWaalsContact C-CA 3.47Å; E280-G300 WeakPolarHBondContact O-CA 3.36Å; S281-G300 WeakPolarHBondContact O-CA 3.33Å; Y282-G300 WeakPolarHBondContact CB-O 3.46Å; Y282-G300 WeakPolarHBondContact CD1-O 3.29Å; E297-G300 PolarHBondContact O-N 2.7Å; G300-L302 VanDerWaalsContact C-N 3.35Å; G300-L302 PolarHBondContact O-N 2.63Å; G300-R303 PolarHBondContact O-N 3.25Å; G300-R303 VanDerWaalsContact O-N 3.17Å; G300-G304 PolarHBondContact O-N 3.21Å
301	A	97.1	Very high	96.1	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-64.3	-37.3	176.1	0	0	0	0	0	112.7	L139 V266 A295 E297 T298 W299 R303 G304 L305	L139-A301 HydrophobicContact CD2-CB 3.78Å; V266-A301 HydrophobicContact CG2-CB 3.67Å; A295-A301 HydrophobicContact CB-CB 3.99Å; A295-A301 VanDerWaalsContact CB-N 3.28Å; E297-A301 PolarHBondContact O-N 2.54Å; T298-A301 WeakPolarHBondContact O-CB 3.26Å; T298-A301 PolarHBondContact O-N 2.99Å; W299-A301 VanDerWaalsContact C-N 3.26Å; W299-A301 PolarHBondContact O-N 2.9Å; A301-R303 VanDerWaalsContact C-N 3.32Å; A301-R303 PolarHBondContact O-N 3.43Å; A301-G304 PolarHBondContact O-N 3.32Å; A301-L305 WeakPolarHBondContact O-CB 3.35Å; A301-L305 WeakPolarHBondContact O-CG 3.03Å; A301-L305 PolarHBondContact O-N 3.29Å
302	L	97.6	Very high	96.1	Very high	3 Å²	3	6 Å²	6	2%	0.016	3%	0.031	C	C	.	.	H	α-helix	trans	-59.5	-43.6	172.7	-59.9	-175.7	0	0	0	111.5	I138 A142 T298 W299 G300 L305 E306	I138-L302 HydrophobicContact CG2-CD1 4.08Å; I138-L302 HydrophobicContact CG2-CD2 4.25Å; A142-L302 HydrophobicContact CB-CD2 3.26Å; T298-L302 WeakPolarHBondContact O-CG 3.42Å; T298-L302 PolarHBondContact O-N 2.63Å; T298-L302 VanDerWaalsContact O-N 3.12Å; W299-L302 HydrophobicContact CE3-CD1 4Å; W299-L302 HydrophobicContact CZ3-CD1 4.39Å; W299-L302 WeakPolarHBondContact O-CB 3.12Å; W299-L302 PolarHBondContact O-N 3.43Å; W299-L302 VanDerWaalsContact O-N 3.12Å; G300-L302 VanDerWaalsContact C-N 3.35Å; G300-L302 PolarHBondContact O-N 2.63Å; L302-L305 PolarHBondContact O-N 3.37Å; L302-E306 PolarHBondContact O-N 3.3Å; L302-E306 VanDerWaalsContact O-N 3.09Å
303	R	98.3	Very high	95.8	Very high	3 Å²	3	6.3 Å²	6.3	1%	0.011	3%	0.032	C	C	.	.	H	α-helix	trans	-68.7	-36	178.8	-52.1	-49.3	177.5	-131.1	-4.2	112.3	E280 Y282 W299 G300 A301 T307 K364 R415 G416 W648	E280-R303 HydrophobicContact CB-CG 4.42Å; E280-R303 IonicContact OE2-CZ 3.91Å; E280-R303 VanDerWaalsContact OE2-CZ 3.27Å; E280-R303 IonicContact OE2-NE 3.86Å; E280-R303 PolarHBondContact OE2-NE 2.76Å; E280-R303 IonicContact OE2-NH2 3.44Å; E280-R303 PolarHBondContact OE2-NH2 2.78Å; Y282-R303 HydrophobicContact CD1-CB 3.69Å; Y282-R303 HydrophobicContact CE1-CB 3.51Å; W299-R303 WeakPolarHBondContact O-CG 3.36Å; W299-R303 PolarHBondContact O-N 3.46Å; G300-R303 PolarHBondContact O-N 3.25Å; G300-R303 VanDerWaalsContact O-N 3.17Å; A301-R303 VanDerWaalsContact C-N 3.32Å; A301-R303 PolarHBondContact O-N 3.43Å; R303-T307 WeakPolarHBondContact O-CB 3.43Å; R303-T307 PolarHBondContact O-N 3.31Å; R303-T307 PolarHBondContact O-OG1 3.08Å; R303-K364 HydrophobicContact CB-CD 4.13Å; R303-K364 HydrophobicContact CG-CD 4.46Å; R303-R415 PolarHBondContact NH1-O 3.48Å; R303-G416 PolarHBondContact NH2-O 2.93Å; R303-W648 HydrophobicContact CB-CH2 4Å; R303-W648 HydrophobicContact CG-CH2 3.77Å; R303-W648 HydrophobicContact CG-CZ3 4.14Å
304	G	98.1	Very high	95.3	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-66.4	-40.9	174.3	0	0	0	0	0	113	Y282 G300 A301 T307 L308	Y282-G304 VanDerWaalsContact CD2-CA 3.46Å; G300-G304 PolarHBondContact O-N 3.21Å; A301-G304 PolarHBondContact O-N 3.32Å; G304-T307 PolarHBondContact O-N 3.35Å; G304-L308 WeakPolarHBondContact O-CB 3.48Å; G304-L308 PolarHBondContact O-N 2.96Å
305	L	97.8	Very high	94.5	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-62.1	-45.8	174.1	-77.6	169.8	0	0	0	111.8	F129 A142 V143 Y146 L264 I293 A301 L302 T307 L308 S309	F129-L305 HydrophobicContact CD1-CD2 3.77Å; F129-L305 HydrophobicContact CD2-CD2 4.5Å; F129-L305 HydrophobicContact CE1-CD2 3.37Å; F129-L305 HydrophobicContact CE2-CD2 4.18Å; F129-L305 HydrophobicContact CG-CD2 4.32Å; F129-L305 HydrophobicContact CZ-CD2 3.6Å; A142-L305 HydrophobicContact CB-CD1 3.97Å; V143-L305 HydrophobicContact CG2-CD1 4.43Å; Y146-L305 HydrophobicContact CD2-CB 3.49Å; Y146-L305 VanDerWaalsContact CD2-CB 3.49Å; Y146-L305 HydrophobicContact CD2-CD1 3.88Å; Y146-L305 HydrophobicContact CD2-CD2 4.47Å; Y146-L305 HydrophobicContact CD2-CG 4.17Å; Y146-L305 HydrophobicContact CE2-CB 3.6Å; Y146-L305 HydrophobicContact CE2-CD1 4.32Å; Y146-L305 HydrophobicContact CG-CB 4.01Å; L264-L305 HydrophobicContact CD1-CD2 4.1Å; L264-L305 HydrophobicContact CD2-CD1 3.93Å; L264-L305 HydrophobicContact CD2-CD2 3.92Å; L264-L305 HydrophobicContact CD2-CG 4.01Å; L264-L305 HydrophobicContact CG-CD2 4.46Å; I293-L305 HydrophobicContact CD1-CD2 3.97Å; I293-L305 HydrophobicContact CD1-CG 4.23Å; A301-L305 WeakPolarHBondContact O-CB 3.35Å; A301-L305 WeakPolarHBondContact O-CG 3.03Å; A301-L305 PolarHBondContact O-N 3.29Å; L302-L305 PolarHBondContact O-N 3.37Å; L305-T307 VanDerWaalsContact C-N 3.34Å; L305-T307 PolarHBondContact O-N 3.37Å; L305-L308 PolarHBondContact O-N 3.26Å; L305-S309 PolarHBondContact O-N 3.49Å
306	E	97.7	Very high	93.2	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	5%	0.05	C	C	.	.	H	α-helix	trans	-56.5	-50.7	174.2	-179.4	51.8	-143.4	0	0	110.8	Y146 L302 L308 S309 Q310 Y362 R673	Y146-E306 HydrophobicContact CE1-CB 4.29Å; Y146-E306 WeakPolarHBondContact CE1-OE2 3.28Å; Y146-E306 VanDerWaalsContact CZ-OE2 3.31Å; Y146-E306 WeakPolarHBondContact OH-CA 3.4Å; Y146-E306 VanDerWaalsContact OH-CB 3.29Å; Y146-E306 WeakPolarHBondContact OH-CB 3.38Å; Y146-E306 PolarHBondContact OH-OE2 3.04Å; L302-E306 PolarHBondContact O-N 3.3Å; L302-E306 VanDerWaalsContact O-N 3.09Å; E306-L308 VanDerWaalsContact C-N 3.34Å; E306-L308 PolarHBondContact O-N 3.13Å; E306-S309 WeakPolarHBondContact O-CB 3.41Å; E306-S309 PolarHBondContact O-N 3.33Å; E306-S309 PolarHBondContact O-OG 3.15Å; E306-Q310 WeakPolarHBondContact O-CG 3.49Å; E306-Q310 PolarHBondContact O-N 3.43Å; E306-Q310 VanDerWaalsContact O-N 3.1Å; E306-Q310 WeakPolarHBondContact OE1-CG 3.33Å; E306-Q310 PolarHBondContact OE1-NE2 3.28Å; E306-Y362 WeakPolarHBondContact OE2-CD1 3.49Å; E306-R673 VanDerWaalsContact CD-NH1 3.34Å; E306-R673 IonicContact OE1-CZ 3.12Å; E306-R673 IonicContact OE1-NH1 3.27Å; E306-R673 PolarHBondContact OE1-NH1 2.89Å; E306-R673 IonicContact OE1-NH2 3.47Å; E306-R673 IonicContact OE2-NH1 3.59Å; E306-R673 PolarHBondContact OE2-NH1 3.37Å; E306-R673 VanDerWaalsContact OE2-NH1 3.13Å
307	T	97.8	Very high	92.2	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61.7	-41.6	-178.4	-59.3	0	0	0	0	112.1	P106 Y282 L284 R303 G304 L305 S309 Q310 L311 I328 K364	P106-T307 HydrophobicContact CB-CG2 4.03Å; Y282-T307 HydrophobicContact CE2-CG2 4.42Å; Y282-T307 PolarHBondContact OH-OG1 3.21Å; L284-T307 HydrophobicContact CD2-CG2 4Å; R303-T307 WeakPolarHBondContact O-CB 3.43Å; R303-T307 PolarHBondContact O-N 3.31Å; R303-T307 PolarHBondContact O-OG1 3.08Å; G304-T307 PolarHBondContact O-N 3.35Å; L305-T307 VanDerWaalsContact C-N 3.34Å; L305-T307 PolarHBondContact O-N 3.37Å; T307-S309 VanDerWaalsContact C-N 3.3Å; T307-S309 PolarHBondContact O-N 3.1Å; T307-Q310 PolarHBondContact O-N 3.02Å; T307-Q310 VanDerWaalsContact O-N 3.15Å; T307-L311 HydrophobicContact CG2-CD1 4.18Å; T307-L311 WeakPolarHBondContact O-CG 3.42Å; T307-L311 PolarHBondContact O-N 3.26Å; T307-I328 HydrophobicContact CG2-CD1 3.82Å; T307-K364 WeakPolarHBondContact OG1-CE 3.27Å; T307-K364 PolarHBondContact OG1-NZ 3.15Å
308	L	97.3	Very high	91.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60.5	-41.1	174	177.3	61.4	0	0	0	111.9	F129 A262 L284 V286 I291 I293 G304 L305 E306 Q310 L311 M312	F129-L308 HydrophobicContact CE1-CD2 3.8Å; F129-L308 HydrophobicContact CZ-CD2 4.35Å; A262-L308 HydrophobicContact CB-CD2 3.82Å; L284-L308 HydrophobicContact CD1-CB 4.24Å; L284-L308 HydrophobicContact CD1-CD1 4.3Å; L284-L308 HydrophobicContact CD2-CB 4.06Å; V286-L308 HydrophobicContact CG2-CD1 4.39Å; I291-L308 HydrophobicContact CD1-CD1 4.28Å; I291-L308 HydrophobicContact CG2-CD1 3.78Å; I291-L308 HydrophobicContact CG2-CD2 3.74Å; I291-L308 HydrophobicContact CG2-CG 4.42Å; I293-L308 HydrophobicContact CD1-CB 4.37Å; I293-L308 HydrophobicContact CD1-CD2 4.08Å; G304-L308 WeakPolarHBondContact O-CB 3.48Å; G304-L308 PolarHBondContact O-N 2.96Å; L305-L308 PolarHBondContact O-N 3.26Å; E306-L308 VanDerWaalsContact C-N 3.34Å; E306-L308 PolarHBondContact O-N 3.13Å; L308-Q310 PolarHBondContact O-N 2.85Å; L308-L311 PolarHBondContact O-N 3.15Å; L308-M312 HydrophobicContact CD1-CE 4.08Å; L308-M312 HydrophobicContact CG-CE 4.14Å; L308-M312 PolarHBondContact O-N 3.29Å
309	S	94.9	Very high	90.5	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.007	9%	0.085	C	C	.	.	H	α-helix	trans	-62.9	-31.2	177.2	82.6	0	0	0	0	112.7	L305 E306 T307 R673	L305-S309 PolarHBondContact O-N 3.49Å; E306-S309 WeakPolarHBondContact O-CB 3.41Å; E306-S309 PolarHBondContact O-N 3.33Å; E306-S309 PolarHBondContact O-OG 3.15Å; T307-S309 VanDerWaalsContact C-N 3.3Å; T307-S309 PolarHBondContact O-N 3.1Å; S309-R673 PolarHBondContact OG-NH2 3.35Å
310	Q	94.5	Very high	89.8	Confident	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-79.8	-29.7	178.5	-63.9	176.2	-2.6	0	0	112.8	G104 P106 W107 E306 T307 L308 M312 Y362	G104-Q310 CarbonylContact C-O 3.56Å; G104-Q310 WeakPolarHBondContact CA-O 3.47Å; P106-Q310 VanDerWaalsContact CA-OE1 3.28Å; W107-Q310 PolarHBondContact O-NE2 2.98Å; W107-Q310 PolarHBondContact O-OE1 2.7Å; E306-Q310 WeakPolarHBondContact O-CG 3.49Å; E306-Q310 PolarHBondContact O-N 3.43Å; E306-Q310 VanDerWaalsContact O-N 3.1Å; E306-Q310 WeakPolarHBondContact OE1-CG 3.33Å; E306-Q310 PolarHBondContact OE1-NE2 3.28Å; T307-Q310 PolarHBondContact O-N 3.02Å; T307-Q310 VanDerWaalsContact O-N 3.15Å; L308-Q310 PolarHBondContact O-N 2.85Å; Q310-M312 VanDerWaalsContact C-N 3.25Å; Q310-M312 PolarHBondContact O-N 2.8Å; Q310-Y362 PolarHBondContact NE2-O 2.92Å; Q310-Y362 VanDerWaalsContact NE2-O 3.16Å
311	L	93.3	Very high	89.3	Confident	6 Å²	6	20 Å²	20	3%	0.031	10%	0.102	C	C	.	.	H	α-helix	trans	-72.2	-17.8	177.2	-72.6	164.2	0	0	0	113.6	G104 W113 L284 T307 L308 V323 T326 I328	G104-L311 WeakPolarHBondContact O-CA 3.2Å; G104-L311 WeakPolarHBondContact O-CD2 3.21Å; W113-L311 HydrophobicContact CZ2-CD2 4.28Å; L284-L311 HydrophobicContact CD2-CD1 3.39Å; L284-L311 HydrophobicContact CG-CD1 4.49Å; T307-L311 HydrophobicContact CG2-CD1 4.18Å; T307-L311 WeakPolarHBondContact O-CG 3.42Å; T307-L311 PolarHBondContact O-N 3.26Å; L308-L311 PolarHBondContact O-N 3.15Å; L311-V323 HydrophobicContact CB-CG2 4.28Å; L311-T326 HydrophobicContact CD1-CG2 3.84Å; L311-T326 HydrophobicContact CD2-CG2 4.26Å; L311-I328 HydrophobicContact CD1-CD1 3.85Å; L311-I328 HydrophobicContact CD2-CD1 4.36Å
312	M	91.9	Very high	88.9	Confident	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	132.4	177.6	-68.1	-173.5	179.9	0	0	110.9	V122 F127 I150 F156 I291 L308 Q310 V321 F322 V323	V122-M312 HydrophobicContact CG1-CE 4.45Å; V122-M312 HydrophobicContact CG2-CE 4.44Å; F127-M312 HydrophobicContact CE1-CE 4.25Å; F127-M312 HydrophobicContact CE2-CE 3.99Å; F127-M312 HydrophobicContact CZ-CE 3.73Å; I150-M312 HydrophobicContact CB-SD 4.39Å; I150-M312 HydrophobicContact CD1-CE 3.98Å; I150-M312 HydrophobicContact CD1-SD 3.9Å; I150-M312 HydrophobicContact CG1-SD 3.85Å; I150-M312 HydrophobicContact CG2-CE 4.36Å; I150-M312 HydrophobicContact CG2-SD 3.7Å; F156-M312 HydrophobicContact CD1-CB 4.45Å; F156-M312 HydrophobicContact CD2-CB 4.18Å; F156-M312 HydrophobicContact CE1-CB 4.06Å; F156-M312 HydrophobicContact CE2-CB 3.77Å; F156-M312 HydrophobicContact CE2-SD 4.41Å; F156-M312 HydrophobicContact CZ-CB 3.68Å; F156-M312 HydrophobicContact CZ-CG 4.42Å; F156-M312 HydrophobicContact CZ-SD 3.9Å; I291-M312 HydrophobicContact CD1-CE 4.5Å; L308-M312 HydrophobicContact CD1-CE 4.08Å; L308-M312 HydrophobicContact CG-CE 4.14Å; L308-M312 PolarHBondContact O-N 3.29Å; Q310-M312 VanDerWaalsContact C-N 3.25Å; Q310-M312 PolarHBondContact O-N 2.8Å; M312-V321 HydrophobicContact CB-CG1 4.22Å; M312-V321 HydrophobicContact CG-CG1 4.5Å; M312-V321 HydrophobicContact SD-CG1 4.36Å; M312-F322 WeakPolarHBondContact CA-O 3.44Å; M312-V323 HydrophobicContact CG-CB 4.44Å
313	W	88.8	Confident	88.5	Confident	13 Å²	13	19.9 Å²	19.9	5%	0.049	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	164.3	-179.9	59.7	-91.8	0	0	0	110.9	Y119 S157 L170 V321 F322 N324	Y119-W313 HydrophobicContact CD2-CZ2 4.48Å; Y119-W313 HydrophobicContact CG-CZ2 4.28Å; S157-W313 WeakPolarHBondContact O-CA 3.48Å; S157-W313 WeakPolarHBondContact O-CB 3.18Å; L170-W313 HydrophobicContact CD2-CH2 4.36Å; W313-V321 WeakPolarHBondContact O-CA 3.4Å; W313-F322 HydrophobicContact CD2-CB 3.91Å; W313-F322 HydrophobicContact CD2-CD2 4.37Å; W313-F322 HydrophobicContact CE3-CB 4.21Å; W313-F322 AromaticContact CE3-CD2 3.8Å; W313-F322 HydrophobicContact CE3-CD2 3.8Å; W313-F322 HydrophobicContact CE3-CG 4.39Å; W313-F322 HydrophobicContact CH2-CB 3.77Å; W313-F322 HydrophobicContact CH2-CD1 4.47Å; W313-F322 AromaticContact CH2-CD2 3.63Å; W313-F322 HydrophobicContact CH2-CD2 3.63Å; W313-F322 HydrophobicContact CH2-CE2 4.32Å; W313-F322 AromaticContact CH2-CG 3.71Å; W313-F322 HydrophobicContact CH2-CG 3.71Å; W313-F322 HydrophobicContact CZ2-CB 3.45Å; W313-F322 VanDerWaalsContact CZ2-CB 3.45Å; W313-F322 HydrophobicContact CZ2-CD2 4.22Å; W313-F322 AromaticContact CZ2-CG 3.93Å; W313-F322 HydrophobicContact CZ2-CG 3.93Å; W313-F322 HydrophobicContact CZ3-CB 4.14Å; W313-F322 AromaticContact CZ3-CD2 3.4Å; W313-F322 HydrophobicContact CZ3-CD2 3.4Å; W313-F322 HydrophobicContact CZ3-CE2 4.02Å; W313-F322 AromaticContact CZ3-CG 3.97Å; W313-F322 HydrophobicContact CZ3-CG 3.97Å; W313-F322 PolarHBondContact N-O 2.87Å; W313-F322 PolarHBondContact O-N 2.85Å; W313-N324 PolarHBondContact NE1-OD1 2.75Å
314	T	84.8	Confident	87.9	Confident	1 Å²	1	21.1 Å²	21.1	1%	0.006	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	159.5	-173.8	-175.9	0	0	0	0	111.6	F156 S157 V158 Y159 Q318 H320	F156-T314 HydrophobicContact CB-CG2 4.03Å; S157-T314 PolarHBondContact O-N 3.42Å; V158-T314 CarbonylContact C-O 3.51Å; V158-T314 WeakPolarHBondContact CA-O 3.22Å; V158-T314 HydrophobicContact CG2-CG2 3.99Å; Y159-T314 PolarHBondContact N-O 3.46Å; T314-Q318 HydrophobicContact CG2-CG 4.14Å; T314-Q318 VanDerWaalsContact OG1-CA 3.3Å; T314-Q318 WeakPolarHBondContact OG1-CA 3.34Å; T314-H320 PolarHBondContact OG1-O 3.35Å
315	I	77	Confident	87.4	Confident	2 Å²	2	22.7 Å²	22.7	1%	0.01	12%	0.115	C	C	.	.			trans	-81.2	165.5	166.4	48.3	172.1	0	0	0	111.1	F171 D317 Q318 S319 H320 F322	F171-I315 HydrophobicContact CE1-CD1 3.86Å; F171-I315 HydrophobicContact CZ-CD1 3.47Å; F171-I315 VanDerWaalsContact CZ-CD1 3.47Å; I315-D317 VanDerWaalsContact C-N 3.34Å; I315-D317 VanDerWaalsContact CD1-OD1 3.25Å; I315-D317 WeakPolarHBondContact CD1-OD1 3.26Å; I315-D317 VanDerWaalsContact CG1-OD1 3.31Å; I315-D317 WeakPolarHBondContact CG1-OD1 3.47Å; I315-D317 PolarHBondContact O-N 3.23Å; I315-Q318 WeakPolarHBondContact O-CA 3.06Å; I315-Q318 PolarHBondContact O-N 2.75Å; I315-S319 WeakPolarHBondContact CD1-OG 3.14Å; I315-H320 HydrophobicContact CD1-CB 4.19Å; I315-H320 HydrophobicContact CG1-CB 4.45Å; I315-F322 HydrophobicContact CG1-CE2 4.38Å; I315-F322 HydrophobicContact CG2-CE2 4.08Å
316	K	69.9	Low	87	Confident	102 Å²	102	22.7 Å²	22.7	44%	0.443	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-40.7	-170.8	-177.6	-178.5	176.6	-177.5	0	114.9	V158 Q318	V158-K316 HydrophobicContact CG1-CB 4.41Å; K316-Q318 PolarHBondContact O-N 2.77Å
317	D	73.7	Confident	86.7	Confident	110 Å²	110	23.5 Å²	23.5	59%	0.588	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-2	178.6	69.6	-7.5	0	0	0	112.9	I315 S319	I315-D317 VanDerWaalsContact C-N 3.34Å; I315-D317 VanDerWaalsContact CD1-OD1 3.25Å; I315-D317 WeakPolarHBondContact CD1-OD1 3.26Å; I315-D317 VanDerWaalsContact CG1-OD1 3.31Å; I315-D317 WeakPolarHBondContact CG1-OD1 3.47Å; I315-D317 PolarHBondContact O-N 3.23Å; D317-S319 VanDerWaalsContact CG-CB 3.5Å; D317-S319 PolarHBondContact O-N 3.27Å; D317-S319 VanDerWaalsContact O-N 3.16Å; D317-S319 VanDerWaalsContact OD1-CB 3.29Å; D317-S319 WeakPolarHBondContact OD1-CB 3.33Å; D317-S319 PolarHBondContact OD1-N 2.72Å; D317-S319 PolarHBondContact OD1-OG 3.27Å; D317-S319 VanDerWaalsContact OD2-CB 3.3Å; D317-S319 WeakPolarHBondContact OD2-CB 3.46Å; D317-S319 PolarHBondContact OD2-OG 2.77Å
318	Q	76.4	Confident	86.4	Confident	46 Å²	46	23.5 Å²	23.5	22%	0.215	12%	0.118	C	C	.	.			trans	55.1	24.3	-174.7	-55.5	-176	7.9	0	0	113.9	K153 T314 I315 K316	K153-Q318 HydrophobicContact CD-CB 4Å; K153-Q318 PolarHBondContact NZ-O 3.37Å; T314-Q318 HydrophobicContact CG2-CG 4.14Å; T314-Q318 VanDerWaalsContact OG1-CA 3.3Å; T314-Q318 WeakPolarHBondContact OG1-CA 3.34Å; I315-Q318 WeakPolarHBondContact O-CA 3.06Å; I315-Q318 PolarHBondContact O-N 2.75Å; K316-Q318 PolarHBondContact O-N 2.77Å
319	S	78.7	Confident	86.2	Confident	59 Å²	59	25.8 Å²	25.8	41%	0.413	13%	0.132	S	C	.	.			trans	-75.1	-29.2	-175.3	62	0	0	0	0	113.1	I315 D317	I315-S319 WeakPolarHBondContact CD1-OG 3.14Å; D317-S319 VanDerWaalsContact CG-CB 3.5Å; D317-S319 PolarHBondContact O-N 3.27Å; D317-S319 VanDerWaalsContact O-N 3.16Å; D317-S319 VanDerWaalsContact OD1-CB 3.29Å; D317-S319 WeakPolarHBondContact OD1-CB 3.33Å; D317-S319 PolarHBondContact OD1-N 2.72Å; D317-S319 PolarHBondContact OD1-OG 3.27Å; D317-S319 VanDerWaalsContact OD2-CB 3.3Å; D317-S319 WeakPolarHBondContact OD2-CB 3.46Å; D317-S319 PolarHBondContact OD2-OG 2.77Å
320	H	82.8	Confident	86.3	Confident	72 Å²	72	25.7 Å²	25.7	33%	0.333	13%	0.132	S	C	.	.			trans	-134.2	141.5	-177.8	-62.4	81.5	0	0	0	111.1	T314 I315 F322	T314-H320 PolarHBondContact OG1-O 3.35Å; I315-H320 HydrophobicContact CD1-CB 4.19Å; I315-H320 HydrophobicContact CG1-CB 4.45Å; H320-F322 HydrophobicContact CB-CE1 4.33Å; H320-F322 HydrophobicContact CB-CE2 3.62Å; H320-F322 HydrophobicContact CB-CZ 3.5Å
321	V	87.9	Confident	86.4	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	137.2	175.6	172.1	0	0	0	0	108.6	V122 M124 K153 F156 M312 W313	V122-V321 HydrophobicContact CB-CB 4.26Å; V122-V321 HydrophobicContact CB-CG1 3.96Å; V122-V321 HydrophobicContact CG2-CG1 4.07Å; V122-V321 PolarHBondContact N-O 2.81Å; M124-V321 HydrophobicContact CE-CG2 4.23Å; M124-V321 HydrophobicContact CG-CB 3.87Å; M124-V321 HydrophobicContact CG-CG2 3.65Å; M124-V321 HydrophobicContact SD-CB 3.53Å; M124-V321 VanDerWaalsContact SD-CB 3.53Å; M124-V321 HydrophobicContact SD-CG1 3.76Å; M124-V321 HydrophobicContact SD-CG2 3.56Å; M124-V321 VanDerWaalsContact SD-CG2 3.56Å; K153-V321 HydrophobicContact CD-CG2 4.15Å; K153-V321 HydrophobicContact CG-CG2 4.06Å; F156-V321 HydrophobicContact CD2-CG1 4.14Å; F156-V321 HydrophobicContact CD2-CG2 4.1Å; F156-V321 HydrophobicContact CE2-CB 4.29Å; F156-V321 HydrophobicContact CE2-CG1 3.51Å; F156-V321 HydrophobicContact CE2-CG2 3.74Å; F156-V321 HydrophobicContact CZ-CG1 4.45Å; M312-V321 HydrophobicContact CB-CG1 4.22Å; M312-V321 HydrophobicContact CG-CG1 4.5Å; M312-V321 HydrophobicContact SD-CG1 4.36Å; W313-V321 WeakPolarHBondContact O-CA 3.4Å
322	F	87.5	Confident	86.6	Confident	1 Å²	1	30.7 Å²	30.7	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	155.2	-177.1	-53.2	-86.4	0	0	0	110.6	Y119 Y120 N121 F174 M312 W313 I315 H320	Y119-F322 HydrophobicContact CD2-CB 4.37Å; Y119-F322 AromaticContact CD2-CD1 3.61Å; Y119-F322 HydrophobicContact CD2-CD1 3.61Å; Y119-F322 HydrophobicContact CD2-CE1 4.26Å; Y119-F322 HydrophobicContact CD2-CG 4.27Å; Y119-F322 AromaticContact CE2-CD1 3.77Å; Y119-F322 HydrophobicContact CE2-CD1 3.77Å; Y119-F322 AromaticContact CE2-CE1 3.94Å; Y119-F322 HydrophobicContact CE2-CE1 3.94Å; Y120-F322 VanDerWaalsContact O-CA 3.32Å; Y120-F322 WeakPolarHBondContact O-CA 3.46Å; N121-F322 VanDerWaalsContact OD1-CD1 3.27Å; N121-F322 WeakPolarHBondContact OD1-CD1 3.12Å; N121-F322 WeakPolarHBondContact OD1-CE1 3.32Å; F174-F322 HydrophobicContact CZ-CE1 4.17Å; F174-F322 HydrophobicContact CZ-CZ 4.1Å; M312-F322 WeakPolarHBondContact CA-O 3.44Å; W313-F322 HydrophobicContact CD2-CB 3.91Å; W313-F322 HydrophobicContact CD2-CD2 4.37Å; W313-F322 HydrophobicContact CE3-CB 4.21Å; W313-F322 AromaticContact CE3-CD2 3.8Å; W313-F322 HydrophobicContact CE3-CD2 3.8Å; W313-F322 HydrophobicContact CE3-CG 4.39Å; W313-F322 HydrophobicContact CH2-CB 3.77Å; W313-F322 HydrophobicContact CH2-CD1 4.47Å; W313-F322 AromaticContact CH2-CD2 3.63Å; W313-F322 HydrophobicContact CH2-CD2 3.63Å; W313-F322 HydrophobicContact CH2-CE2 4.32Å; W313-F322 AromaticContact CH2-CG 3.71Å; W313-F322 HydrophobicContact CH2-CG 3.71Å; W313-F322 HydrophobicContact CZ2-CB 3.45Å; W313-F322 VanDerWaalsContact CZ2-CB 3.45Å; W313-F322 HydrophobicContact CZ2-CD2 4.22Å; W313-F322 AromaticContact CZ2-CG 3.93Å; W313-F322 HydrophobicContact CZ2-CG 3.93Å; W313-F322 HydrophobicContact CZ3-CB 4.14Å; W313-F322 AromaticContact CZ3-CD2 3.4Å; W313-F322 HydrophobicContact CZ3-CD2 3.4Å; W313-F322 HydrophobicContact CZ3-CE2 4.02Å; W313-F322 AromaticContact CZ3-CG 3.97Å; W313-F322 HydrophobicContact CZ3-CG 3.97Å; W313-F322 PolarHBondContact N-O 2.87Å; W313-F322 PolarHBondContact O-N 2.85Å; I315-F322 HydrophobicContact CG1-CE2 4.38Å; I315-F322 HydrophobicContact CG2-CE2 4.08Å; H320-F322 HydrophobicContact CB-CE1 4.33Å; H320-F322 HydrophobicContact CB-CE2 3.62Å; H320-F322 HydrophobicContact CB-CZ 3.5Å
323	V	90	Very high	86.8	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	131.3	170.4	61.7	0	0	0	0	108.8	Y119 Y120 V122 Q259 V286 I291 L311 M312	Y119-V323 CarbonylContact C-O 3.3Å; Y119-V323 WeakPolarHBondContact CA-O 3.11Å; Y120-V323 PolarHBondContact N-O 3.49Å; Y120-V323 PolarHBondContact O-N 3.13Å; V122-V323 HydrophobicContact CG2-CB 4.26Å; V122-V323 HydrophobicContact CG2-CG1 3.77Å; Q259-V323 HydrophobicContact CG-CG1 4.22Å; V286-V323 HydrophobicContact CB-CG2 4.49Å; V286-V323 HydrophobicContact CG1-CB 4.5Å; V286-V323 HydrophobicContact CG1-CG1 3.83Å; V286-V323 HydrophobicContact CG1-CG2 3.98Å; V286-V323 HydrophobicContact CG2-CG2 3.92Å; I291-V323 HydrophobicContact CD1-CG1 4.21Å; L311-V323 HydrophobicContact CB-CG2 4.28Å; M312-V323 HydrophobicContact CG-CB 4.44Å
324	N	86.1	Confident	87.2	Confident	29 Å²	29	33.2 Å²	33.2	16%	0.155	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	145.8	-179.7	-70.2	21.3	0	0	0	110.4	V286 W313 T326	V286-N324 WeakPolarHBondContact CB-O 3.47Å; V286-N324 WeakPolarHBondContact CG1-O 3.28Å; W313-N324 PolarHBondContact NE1-OD1 2.75Å; N324-T326 PolarHBondContact O-N 2.82Å; N324-T326 VanDerWaalsContact O-N 3.09Å
325	Q	86.7	Confident	87.8	Confident	33 Å²	33	38.1 Å²	38.1	15%	0.154	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	117.2	166.8	-178.5	-173.9	-39.8	0	0	108	S116 C118 Y120 V286 Y327	S116-Q325 PolarHBondContact N-O 3.5Å; C118-Q325 HydrophobicContact CB-CB 4.14Å; C118-Q325 PolarHBondContact O-N 2.79Å; Y120-Q325 HydrophobicContact CE2-CB 3.65Å; Y120-Q325 HydrophobicContact CE2-CG 4.14Å; Y120-Q325 PolarHBondContact OH-OE1 2.73Å; V286-Q325 WeakPolarHBondContact O-CA 3.22Å; V286-Q325 VanDerWaalsContact O-CG 3.26Å; V286-Q325 WeakPolarHBondContact O-CG 3.25Å; Q325-Y327 HydrophobicContact CG-CE2 4.31Å; Q325-Y327 PolarHBondContact NE2-OH 3.3Å
326	T	89.2	Confident	88.8	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	149.9	-173.4	-165.8	0	0	0	0	112.2	W113 S114 V286 L311 N324	W113-T326 PolarHBondContact NE1-OG1 3.44Å; S114-T326 CarbonylContact O-C 3.6Å; S114-T326 WeakPolarHBondContact O-CA 3.5Å; S114-T326 WeakPolarHBondContact O-CB 3.39Å; S114-T326 PolarHBondContact O-OG1 2.96Å; V286-T326 HydrophobicContact CB-CG2 4Å; V286-T326 HydrophobicContact CG2-CG2 3.84Å; V286-T326 PolarHBondContact N-O 2.93Å; V286-T326 PolarHBondContact O-N 2.94Å; L311-T326 HydrophobicContact CD1-CG2 3.84Å; L311-T326 HydrophobicContact CD2-CG2 4.26Å; N324-T326 PolarHBondContact O-N 2.82Å; N324-T326 VanDerWaalsContact O-N 3.09Å
327	Y	90.7	Very high	90.2	Very high	17 Å²	17	33.2 Å²	33.2	7%	0.067	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.4	173.6	-54.8	-83.7	0	0	0	108.2	S114 H232 M239 C285 Q325	S114-Y327 PolarHBondContact N-O 3.32Å; S114-Y327 PolarHBondContact O-N 2.97Å; H232-Y327 AromaticContact CE1-CD2 3.84Å; H232-Y327 AromaticContact CE1-CE2 3.43Å; H232-Y327 VanDerWaalsContact CE1-CE2 3.43Å; H232-Y327 WeakPolarHBondContact CE1-CE2 3.18Å; H232-Y327 AromaticContact NE2-CD2 3.57Å; H232-Y327 AromaticContact NE2-CE2 3.46Å; H232-Y327 WeakPolarHBondContact NE2-CE2 3.44Å; M239-Y327 HydrophobicContact CB-CD1 4.18Å; M239-Y327 HydrophobicContact CB-CE1 4.43Å; M239-Y327 HydrophobicContact CG-CD1 3.85Å; C285-Y327 HydrophobicContact CB-CD1 4.24Å; C285-Y327 WeakPolarHBondContact SG-CE1 3.24Å; Q325-Y327 HydrophobicContact CG-CE2 4.31Å; Q325-Y327 PolarHBondContact NE2-OH 3.3Å
328	I	92.6	Very high	91.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.8	-178	-71.3	171.7	0	0	0	109.1	P110 S112 W113 M239 Y282 I283 L284 T307 L311 D330	P110-I328 HydrophobicContact CB-CG2 3.7Å; P110-I328 HydrophobicContact CG-CD1 3.95Å; P110-I328 HydrophobicContact CG-CG1 4.2Å; P110-I328 HydrophobicContact CG-CG2 3.91Å; S112-I328 VanDerWaalsContact O-CA 3.31Å; S112-I328 WeakPolarHBondContact O-CA 3.43Å; W113-I328 HydrophobicContact CB-CG1 4.32Å; W113-I328 VanDerWaalsContact CD1-CG1 3.4Å; W113-I328 HydrophobicContact CG-CD1 4.41Å; W113-I328 HydrophobicContact CG-CG1 4.09Å; M239-I328 VanDerWaalsContact CE-O 3.26Å; M239-I328 WeakPolarHBondContact CE-O 3.41Å; Y282-I328 HydrophobicContact CE2-CG2 3.99Å; I283-I328 WeakPolarHBondContact CA-O 3.02Å; L284-I328 HydrophobicContact CB-CB 4.19Å; L284-I328 HydrophobicContact CD2-CD1 4.3Å; L284-I328 PolarHBondContact N-O 2.82Å; L284-I328 PolarHBondContact O-N 2.92Å; T307-I328 HydrophobicContact CG2-CD1 3.82Å; L311-I328 HydrophobicContact CD1-CD1 3.85Å; L311-I328 HydrophobicContact CD2-CD1 4.36Å; I328-D330 HydrophobicContact CG2-CB 3.82Å
329	V	92.9	Very high	92.4	Very high	48 Å²	48	25.8 Å²	25.8	29%	0.291	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122.9	162.9	-175.4	0	0	0	0	105.9	S112 I235 M239 I283	S112-V329 PolarHBondContact N-O 3.31Å; S112-V329 PolarHBondContact O-N 3.32Å; I235-V329 HydrophobicContact CG2-CG2 4.12Å; M239-V329 HydrophobicContact CE-CG2 4.22Å; I283-V329 HydrophobicContact CG1-CG1 4.29Å; I283-V329 HydrophobicContact CG1-CG2 4.23Å
330	D	96.3	Very high	93.4	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	150.6	-170.6	-157.2	18.8	0	0	0	112.7	P110 W111 S281 Y282 I328 W648	P110-D330 VanDerWaalsContact CA-OD1 3.26Å; P110-D330 WeakPolarHBondContact CA-OD1 3.46Å; P110-D330 HydrophobicContact CB-CB 4.03Å; W111-D330 PolarHBondContact N-OD1 3.2Å; S281-D330 WeakPolarHBondContact CA-O 3.34Å; Y282-D330 HydrophobicContact CD1-CB 4.34Å; Y282-D330 HydrophobicContact CE1-CB 3.67Å; Y282-D330 HydrophobicContact CE2-CB 3.97Å; Y282-D330 VanDerWaalsContact CZ-CB 3.44Å; Y282-D330 PolarHBondContact N-O 2.98Å; Y282-D330 PolarHBondContact O-N 3.12Å; Y282-D330 WeakPolarHBondContact OH-CB 3.44Å; Y282-D330 PolarHBondContact OH-OD2 2.88Å; I328-D330 HydrophobicContact CG2-CB 3.82Å; D330-W648 VanDerWaalsContact CG-NE1 3.26Å; D330-W648 PolarHBondContact OD1-NE1 2.94Å; D330-W648 WeakPolarHBondContact OD2-CZ2 3.43Å; D330-W648 PolarHBondContact OD2-NE1 3.21Å
331	Y	97.3	Very high	94.1	Very high	84 Å²	84	19.6 Å²	19.6	33%	0.329	9%	0.09	S	C	.	.			trans	-167.8	155.5	178.7	53	-93.3	0	0	0	108.6	W111	W111-Y331 HydrophobicContact CB-CD1 4.48Å; W111-Y331 HydrophobicContact CB-CE1 4.2Å; W111-Y331 AromaticContact CD1-CE2 3.82Å; W111-Y331 AromaticContact CD2-CE1 3.94Å; W111-Y331 HydrophobicContact CD2-CE1 3.94Å; W111-Y331 AromaticContact CD2-CE2 3.82Å; W111-Y331 HydrophobicContact CD2-CE2 3.82Å; W111-Y331 AromaticContact CD2-CZ 3.36Å; W111-Y331 AromaticContact CE2-CE2 3.52Å; W111-Y331 AromaticContact CE2-CZ 3.51Å; W111-Y331 VanDerWaalsContact CE2-OH 3.27Å; W111-Y331 HydrophobicContact CE3-CE1 4.13Å; W111-Y331 HydrophobicContact CE3-CE2 4.49Å; W111-Y331 AromaticContact CE3-CZ 3.65Å; W111-Y331 HydrophobicContact CG-CD1 4.48Å; W111-Y331 AromaticContact CG-CE1 3.99Å; W111-Y331 HydrophobicContact CG-CE1 3.99Å; W111-Y331 AromaticContact CG-CE2 4Å; W111-Y331 HydrophobicContact CG-CE2 4Å; W111-Y331 AromaticContact CG-CZ 3.74Å; W111-Y331 WeakPolarHBondContact CH2-OH 3.4Å; W111-Y331 AromaticContact CZ2-CE2 3.95Å; W111-Y331 HydrophobicContact CZ2-CE2 3.95Å; W111-Y331 AromaticContact CZ2-CZ 3.91Å; W111-Y331 VanDerWaalsContact CZ2-OH 3.26Å; W111-Y331 WeakPolarHBondContact CZ2-OH 3.45Å; W111-Y331 WeakPolarHBondContact CZ3-OH 3.49Å; W111-Y331 AromaticContact NE1-CE2 3.54Å; W111-Y331 AromaticContact NE1-CZ 3.94Å
332	P	97.6	Very high	94.6	Very high	26 Å²	26	19.6 Å²	19.6	17%	0.169	9%	0.09	C	C	.	.			trans	-71.4	139.8	179	29.6	-35.4	0	0	0	111.4	E280 F334 W648	E280-P332 HydrophobicContact CB-CG 3.99Å; P332-F334 WeakPolarHBondContact CB-O 3.45Å; P332-W648 HydrophobicContact CB-CD2 4.29Å; P332-W648 HydrophobicContact CB-CE3 3.71Å; P332-W648 HydrophobicContact CB-CH2 4.34Å; P332-W648 HydrophobicContact CB-CZ3 3.74Å; P332-W648 HydrophobicContact CG-CH2 4.48Å; P332-W648 HydrophobicContact CG-CZ3 4.16Å
333	R	96.1	Very high	95.2	Very high	53 Å²	53	19.6 Å²	19.6	20%	0.2	9%	0.09	C	C	.	.	S	Bend	trans	-64.5	-41.3	167.8	-179.4	177.6	169.6	-150.3	-2	112	D602 S604 W648 S649	R333-D602 IonicContact CZ-OD1 2.86Å; R333-D602 IonicContact CZ-OD2 2.91Å; R333-D602 IonicContact NH1-OD1 2.7Å; R333-D602 IonicContact NH1-OD2 3.68Å; R333-D602 PolarHBondContact NH1-OD2 3.19Å; R333-D602 IonicContact NH2-OD1 3.31Å; R333-D602 PolarHBondContact NH2-OD1 3.12Å; R333-D602 IonicContact NH2-OD2 3.64Å; R333-D602 PolarHBondContact NH2-OD2 3.44Å; R333-D602 VanDerWaalsContact NH2-OD2 3.11Å; R333-S604 PolarHBondContact NH2-OG 3.45Å; R333-W648 WeakPolarHBondContact CB-O 3.37Å; R333-W648 PolarHBondContact N-O 3.5Å; R333-S649 WeakPolarHBondContact CB-O 3.31Å; R333-S649 VanDerWaalsContact CD-O 3.28Å; R333-S649 WeakPolarHBondContact CD-O 3.24Å
334	F	97	Very high	95.5	Very high	13 Å²	13	19.6 Å²	19.6	6%	0.057	9%	0.09	C	C	.	.			trans	-118.1	139.9	-179.8	-66.7	-81.3	0	0	0	112.1	P332 R337 P603 I615 L616 G617 L647	P332-F334 WeakPolarHBondContact CB-O 3.45Å; F334-R337 WeakPolarHBondContact O-CD 3.12Å; F334-R337 WeakPolarHBondContact O-CG 3.1Å; F334-R337 PolarHBondContact O-NH1 3.43Å; F334-P603 HydrophobicContact CE2-CG 4.44Å; F334-P603 HydrophobicContact CZ-CB 4.18Å; F334-P603 HydrophobicContact CZ-CG 4.22Å; F334-I615 HydrophobicContact CD1-CG2 4.22Å; F334-I615 HydrophobicContact CE1-CB 4.2Å; F334-I615 HydrophobicContact CE1-CG2 3.7Å; F334-L616 WeakPolarHBondContact CB-O 3.37Å; F334-G617 VanDerWaalsContact CD1-CA 3.48Å; F334-L647 HydrophobicContact CB-CD2 4.32Å; F334-L647 HydrophobicContact CD2-CD2 3.89Å; F334-L647 HydrophobicContact CE2-CD2 4.42Å; F334-L647 HydrophobicContact CG-CD2 4.22Å; F334-L647 PolarHBondContact N-O 2.98Å; F334-L647 VanDerWaalsContact N-O 3.11Å
335	K	97	Very high	96.1	Very high	104 Å²	104	20.5 Å²	20.5	45%	0.452	9%	0.092	S	C	.	.	S	Bend	trans	-71.6	-30.9	-178.4	-68.4	-179.9	177.4	-176.5	0	112.8	N277 N366 L616	N277-K335 PolarHBondContact OD1-NZ 3.02Å; K335-N366 PolarHBondContact O-ND2 2.9Å; K335-L616 PolarHBondContact N-O 2.89Å
336	H	98.2	Very high	96.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	112.8	-176.5	-166.5	104.1	0	0	0	110.4	R418 L616 G617 G618 E619	H336-R418 PolarHBondContact ND1-NH1 3.36Å; H336-L616 HydrophobicContact CB-CB 4.07Å; H336-L616 PolarHBondContact N-O 3.33Å; H336-G617 VanDerWaalsContact O-CA 3.27Å; H336-G617 WeakPolarHBondContact O-CA 3.33Å; H336-G618 PolarHBondContact O-N 3.05Å; H336-E619 IonicContact CD2-OE1 3.23Å; H336-E619 IonicContact CE1-OE1 3.77Å; H336-E619 IonicContact NE2-OE1 3.75Å; H336-E619 PolarHBondContact NE2-OE1 2.98Å
337	R	98.6	Very high	97	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	89.2	-174.5	-47.7	-175.9	-64	-67.7	-8.5	109.1	E280 F334 K364 L365 N366 V367 L647	E280-R337 IonicContact OE1-CZ 3.64Å; E280-R337 VanDerWaalsContact OE1-CZ 3.27Å; E280-R337 IonicContact OE1-NH1 3.23Å; E280-R337 PolarHBondContact OE1-NH1 3.29Å; E280-R337 IonicContact OE1-NH2 2.87Å; E280-R337 PolarHBondContact OE1-NH2 2.9Å; E280-R337 IonicContact OE2-CZ 3.94Å; E280-R337 IonicContact OE2-NH2 2.82Å; E280-R337 PolarHBondContact OE2-NH2 2.8Å; F334-R337 WeakPolarHBondContact O-CD 3.12Å; F334-R337 WeakPolarHBondContact O-CG 3.1Å; F334-R337 PolarHBondContact O-NH1 3.43Å; R337-K364 PolarHBondContact NE-O 3.46Å; R337-K364 PolarHBondContact NH2-O 2.86Å; R337-L365 HydrophobicContact CB-CD2 3.84Å; R337-N366 PolarHBondContact N-OD1 3.47Å; R337-N366 PolarHBondContact NH1-ND2 2.93Å; R337-N366 PolarHBondContact NH2-ND2 3.24Å; R337-N366 PolarHBondContact O-N 3.26Å; R337-N366 PolarHBondContact O-OD1 3.15Å; R337-V367 PolarHBondContact O-N 3.31Å; R337-L647 HydrophobicContact CB-CB 4.09Å; R337-L647 HydrophobicContact CB-CD1 4.19Å; R337-L647 VanDerWaalsContact CD-O 3.28Å; R337-L647 WeakPolarHBondContact CD-O 3.35Å; R337-L647 HydrophobicContact CG-CB 3.76Å
338	G	98.7	Very high	97.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	156.3	-165.1	0	0	0	0	0	115.5	V367 G618 E619 A620	G338-V367 CarbonylContact C-O 3.6Å; G338-V367 WeakPolarHBondContact CA-O 2.87Å; G338-G618 PolarHBondContact N-O 2.79Å; G338-E619 VanDerWaalsContact O-CA 3.29Å; G338-E619 WeakPolarHBondContact O-CA 3.39Å; G338-A620 PolarHBondContact O-N 2.7Å; G338-A620 VanDerWaalsContact O-N 3.1Å
339	L	98.9	Very high	97.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120.1	159.8	169.9	62.6	0	0	0	106.3	I341 N356 M360 L365 V367 H369 L586 A620 I636 W637 T640	L339-I341 HydrophobicContact CD2-CD1 4.05Å; L339-I341 HydrophobicContact CD2-CG1 4.2Å; L339-I341 HydrophobicContact CG-CD1 4.33Å; L339-I341 HydrophobicContact CG-CG1 3.95Å; L339-N356 HydrophobicContact CD2-CB 4.37Å; L339-M360 HydrophobicContact CB-CE 4.11Å; L339-M360 HydrophobicContact CB-CG 4.36Å; L339-M360 HydrophobicContact CB-SD 4.14Å; L339-M360 HydrophobicContact CD2-CG 3.97Å; L339-M360 HydrophobicContact CD2-SD 3.98Å; L339-L365 HydrophobicContact CB-CD1 4.38Å; L339-V367 PolarHBondContact N-O 3.45Å; L339-H369 PolarHBondContact O-N 2.66Å; L339-L586 HydrophobicContact CD1-CD1 3.85Å; L339-A620 CarbonylContact C-O 3.43Å; L339-A620 WeakPolarHBondContact CA-O 3.49Å; L339-A620 HydrophobicContact CD1-CB 4.42Å; L339-I636 HydrophobicContact CD1-CD1 4.47Å; L339-I636 HydrophobicContact CD1-CG2 3.99Å; L339-I636 HydrophobicContact CD2-CD1 4.37Å; L339-I636 HydrophobicContact CD2-CG2 3.84Å; L339-W637 HydrophobicContact CD2-CZ2 4.01Å; L339-T640 HydrophobicContact CD1-CG2 4.21Å
340	M	98.8	Very high	97.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	129.6	170.9	-176.1	-88.5	-86.5	0	0	109.9	H369 H371 W545 A620 C621 M622 W623	M340-H369 CarbonylContact C-O 3.59Å; M340-H369 WeakPolarHBondContact CA-O 3.41Å; M340-H369 HydrophobicContact CB-CB 3.81Å; M340-H369 HydrophobicContact CG-CB 4.03Å; M340-H371 HydrophobicContact CG-CB 4.42Å; M340-H371 HydrophobicContact SD-CB 4.06Å; M340-W545 HydrophobicContact CE-CH2 4.34Å; M340-W545 HydrophobicContact CE-CZ2 4.34Å; M340-A620 PolarHBondContact N-O 3.43Å; M340-C621 HydrophobicContact CE-CB 3.67Å; M340-M622 WeakPolarHBondContact O-CB 3.46Å; M340-M622 PolarHBondContact O-N 2.92Å; M340-W623 HydrophobicContact CE-CD2 3.74Å; M340-W623 HydrophobicContact CE-CE3 3.97Å; M340-W623 HydrophobicContact CE-CH2 3.56Å; M340-W623 HydrophobicContact CE-CZ2 3.28Å; M340-W623 HydrophobicContact CE-CZ3 3.89Å
341	I	98.7	Very high	97.4	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	116.3	176.4	-53.8	179.9	0	0	0	108.2	L339 T343 I348 N356 L368 H369 H371 I636	L339-I341 HydrophobicContact CD2-CD1 4.05Å; L339-I341 HydrophobicContact CD2-CG1 4.2Å; L339-I341 HydrophobicContact CG-CD1 4.33Å; L339-I341 HydrophobicContact CG-CG1 3.95Å; I341-T343 HydrophobicContact CG2-CG2 4.05Å; I341-I348 HydrophobicContact CG2-CG1 4.41Å; I341-N356 HydrophobicContact CD1-CB 3.7Å; I341-L368 HydrophobicContact CD1-CD1 3.83Å; I341-L368 HydrophobicContact CG1-CD1 4.03Å; I341-H369 PolarHBondContact N-O 3.31Å; I341-H371 PolarHBondContact O-N 3.48Å; I341-I636 HydrophobicContact CD1-CD1 4.32Å; I341-I636 HydrophobicContact CG1-CD1 4.35Å
342	D	98.7	Very high	97.3	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	128.5	167.3	165.8	21.2	0	0	0	110.4	S344 R345 H371 M622 W623 S624	D342-S344 PolarHBondContact OD1-N 3.31Å; D342-S344 PolarHBondContact OD1-OG 2.63Å; D342-R345 PolarHBondContact OD1-N 3.38Å; D342-R345 VanDerWaalsContact OD2-CB 3.31Å; D342-R345 WeakPolarHBondContact OD2-CB 3.47Å; D342-R345 WeakPolarHBondContact OD2-CD 3.3Å; D342-R345 WeakPolarHBondContact OD2-CG 3.46Å; D342-H371 HydrophobicContact CB-CB 4.35Å; D342-H371 IonicContact OD1-CD2 3.51Å; D342-M622 PolarHBondContact N-O 3.36Å; D342-M622 VanDerWaalsContact N-O 3.11Å; D342-W623 HydrophobicContact CB-CE3 4.06Å; D342-S624 WeakPolarHBondContact O-CB 3.4Å; D342-S624 PolarHBondContact O-OG 3.04Å; D342-S624 PolarHBondContact OD1-OG 3.47Å; D342-S624 WeakPolarHBondContact OD2-CA 3.29Å; D342-S624 VanDerWaalsContact OD2-CB 3.3Å; D342-S624 WeakPolarHBondContact OD2-CB 3.38Å; D342-S624 PolarHBondContact OD2-N 2.9Å; D342-S624 PolarHBondContact OD2-OG 3.07Å
343	T	98.6	Very high	97.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.104	C	C	.	.			trans	-123.8	2.6	179.2	63.2	0	0	0	0	113.8	I341 H346 F347 I348 I353 W370 H371 Y400	I341-T343 HydrophobicContact CG2-CG2 4.05Å; T343-H346 CarbonylContact C-O 3.41Å; T343-H346 WeakPolarHBondContact CA-O 3.43Å; T343-H346 CarbonylContact O-C 3.47Å; T343-F347 WeakPolarHBondContact O-CA 3.33Å; T343-I348 HydrophobicContact CG2-CB 3.76Å; T343-I348 HydrophobicContact CG2-CG1 3.88Å; T343-I353 HydrophobicContact CG2-CD1 4.45Å; T343-W370 PolarHBondContact OG1-NE1 2.94Å; T343-H371 PolarHBondContact N-O 3.28Å; T343-H371 PolarHBondContact OG1-O 2.74Å; T343-Y400 VanDerWaalsContact CB-OH 3.24Å; T343-Y400 WeakPolarHBondContact CB-OH 3.48Å
344	S	97.6	Very high	97.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-94.3	-34.4	-177.9	59.6	0	0	0	0	111.9	D342 H371 D374 S377 Y394	D342-S344 PolarHBondContact OD1-N 3.31Å; D342-S344 PolarHBondContact OD1-OG 2.63Å; S344-H371 PolarHBondContact OG-CD2 3.31Å; S344-D374 VanDerWaalsContact CB-N 3.32Å; S344-D374 WeakPolarHBondContact OG-CB 3.48Å; S344-S377 WeakPolarHBondContact CA-OG 3.24Å; S344-S377 WeakPolarHBondContact O-CB 3.22Å; S344-S377 PolarHBondContact O-OG 3Å; S344-Y394 WeakPolarHBondContact O-CE2 3.36Å; S344-Y394 PolarHBondContact O-OH 3.11Å; S344-Y394 VanDerWaalsContact O-OH 3.11Å
345	R	97.5	Very high	97.2	Very high	49 Å²	49	19.5 Å²	19.5	19%	0.185	9%	0.094	C	C	.	.	S	Bend	trans	-80.9	-31.4	179.1	-53.1	-176.9	168.5	-129	-14.6	113	D342 D374 Y394 S624 E625	D342-R345 PolarHBondContact OD1-N 3.38Å; D342-R345 VanDerWaalsContact OD2-CB 3.31Å; D342-R345 WeakPolarHBondContact OD2-CB 3.47Å; D342-R345 WeakPolarHBondContact OD2-CD 3.3Å; D342-R345 WeakPolarHBondContact OD2-CG 3.46Å; R345-D374 IonicContact CZ-OD2 3.11Å; R345-D374 VanDerWaalsContact CZ-OD2 3.27Å; R345-D374 IonicContact NE-OD2 3.68Å; R345-D374 PolarHBondContact NE-OD2 3.4Å; R345-D374 IonicContact NH2-OD1 2.77Å; R345-D374 PolarHBondContact NH2-OD1 2.91Å; R345-D374 IonicContact NH2-OD2 2.64Å; R345-D374 PolarHBondContact NH2-OD2 2.83Å; R345-Y394 PolarHBondContact O-OH 2.95Å; R345-S624 WeakPolarHBondContact CB-OG 3.23Å; R345-E625 VanDerWaalsContact CD-OE1 3.28Å; R345-E625 WeakPolarHBondContact CD-OE1 3.35Å; R345-E625 IonicContact CZ-OE1 3.44Å; R345-E625 VanDerWaalsContact CZ-OE1 3.31Å; R345-E625 IonicContact NE-OE1 3.53Å; R345-E625 PolarHBondContact NE-OE1 3.36Å; R345-E625 IonicContact NH1-OE1 2.77Å; R345-E625 PolarHBondContact NH1-OE1 2.99Å
346	H	97.6	Very high	97.2	Very high	72 Å²	72	14.6 Å²	14.6	33%	0.333	7%	0.073	S	C	.	.	S	Bend	trans	-137.7	130	160.6	-77.8	80.2	0	0	0	108.7	T343 I348 S624 E625 Q627	T343-H346 CarbonylContact C-O 3.41Å; T343-H346 WeakPolarHBondContact CA-O 3.43Å; T343-H346 CarbonylContact O-C 3.47Å; H346-I348 PolarHBondContact O-N 2.83Å; H346-S624 PolarHBondContact N-OG 3.36Å; H346-S624 PolarHBondContact ND1-O 3.18Å; H346-E625 PolarHBondContact CE1-O 2.81Å; H346-Q627 VanDerWaalsContact CB-O 3.27Å; H346-Q627 WeakPolarHBondContact CB-O 3.19Å
347	F	98.3	Very high	97.2	Very high	40 Å²	40	14.6 Å²	14.6	18%	0.175	7%	0.073	C	C	.	.			trans	-60.9	126	175.6	-176	-97	0	0	0	111	T343 P379 Y394 L398 Y400	T343-F347 WeakPolarHBondContact O-CA 3.33Å; F347-P379 HydrophobicContact CD2-CB 4.08Å; F347-P379 HydrophobicContact CE2-CB 4.2Å; F347-Y394 HydrophobicContact CB-CD2 4.33Å; F347-L398 HydrophobicContact CB-CB 4.47Å; F347-L398 HydrophobicContact CD1-CB 4.13Å; F347-L398 HydrophobicContact CD1-CD2 3.71Å; F347-L398 HydrophobicContact CD1-CG 4.38Å; F347-L398 HydrophobicContact CD2-CB 4.03Å; F347-L398 WeakPolarHBondContact CD2-O 2.96Å; F347-L398 HydrophobicContact CE1-CB 4.34Å; F347-L398 HydrophobicContact CE1-CD2 3.85Å; F347-L398 HydrophobicContact CE2-CB 4.26Å; F347-L398 WeakPolarHBondContact CE2-O 3.36Å; F347-L398 HydrophobicContact CG-CB 3.94Å; F347-L398 HydrophobicContact CG-CD2 4.34Å; F347-L398 HydrophobicContact CZ-CB 4.4Å; F347-Y400 HydrophobicContact CD2-CE2 4.26Å; F347-Y400 AromaticContact CD2-CZ 3.98Å; F347-Y400 HydrophobicContact CE2-CD1 4.24Å; F347-Y400 HydrophobicContact CE2-CD2 4.37Å; F347-Y400 AromaticContact CE2-CE1 3.67Å; F347-Y400 HydrophobicContact CE2-CE1 3.67Å; F347-Y400 AromaticContact CE2-CE2 3.83Å; F347-Y400 HydrophobicContact CE2-CE2 3.83Å; F347-Y400 AromaticContact CE2-CZ 3.44Å; F347-Y400 VanDerWaalsContact CE2-CZ 3.44Å; F347-Y400 HydrophobicContact CZ-CD1 4.37Å; F347-Y400 AromaticContact CZ-CE1 3.78Å; F347-Y400 HydrophobicContact CZ-CE1 3.78Å; F347-Y400 AromaticContact CZ-CZ 3.98Å
348	I	97.8	Very high	97	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.073	C	C	.	.			trans	-108	120.3	175.6	-53	-55.1	0	0	0	108.9	I341 T343 H346 V352 I353 Y400 V632	I341-I348 HydrophobicContact CG2-CG1 4.41Å; T343-I348 HydrophobicContact CG2-CB 3.76Å; T343-I348 HydrophobicContact CG2-CG1 3.88Å; H346-I348 PolarHBondContact O-N 2.83Å; I348-V352 HydrophobicContact CG2-CB 3.74Å; I348-V352 HydrophobicContact CG2-CG1 3.49Å; I348-V352 VanDerWaalsContact CG2-CG1 3.49Å; I348-I353 HydrophobicContact CG2-CG1 4.16Å; I348-Y400 WeakPolarHBondContact O-CE1 3.49Å; I348-Y400 PolarHBondContact O-OH 2.99Å; I348-V632 HydrophobicContact CD1-CB 4.48Å; I348-V632 HydrophobicContact CD1-CG1 4.24Å
349	S	96.5	Very high	97	Very high	21 Å²	21	14.7 Å²	14.7	15%	0.147	7%	0.073	C	C	.	.			trans	-61.1	151	-177.4	68.6	0	0	0	0	112	S351 V352 I353 D629	S349-S351 PolarHBondContact O-N 3.45Å; S349-S351 PolarHBondContact OG-OG 3.37Å; S349-V352 PolarHBondContact O-N 2.89Å; S349-V352 WeakPolarHBondContact OG-CG2 3.41Å; S349-V352 PolarHBondContact OG-N 3.14Å; S349-I353 PolarHBondContact O-N 3.32Å; S349-I353 VanDerWaalsContact O-N 3.07Å; S349-D629 WeakPolarHBondContact CA-OD1 3.46Å; S349-D629 WeakPolarHBondContact CB-OD1 3.49Å; S349-D629 PolarHBondContact N-OD1 3.48Å; S349-D629 PolarHBondContact OG-OD1 2.88Å; S349-D629 PolarHBondContact OG-OD2 3.06Å
350	K	95	Very high	97	Very high	53 Å²	53	14.7 Å²	14.7	23%	0.23	7%	0.073	C	C	.	.	H	α-helix	trans	-49	-43.5	170.9	177.2	172.8	66.3	-172.3	0	111.7	V352 I353 L354 D404 E407 I408	K350-V352 VanDerWaalsContact C-N 3.3Å; K350-V352 PolarHBondContact O-N 3.07Å; K350-I353 WeakPolarHBondContact O-CB 2.98Å; K350-I353 PolarHBondContact O-N 2.98Å; K350-I353 VanDerWaalsContact O-N 3.14Å; K350-L354 HydrophobicContact CG-CD1 4.34Å; K350-L354 HydrophobicContact CG-CG 4.24Å; K350-L354 VanDerWaalsContact O-CG 3.32Å; K350-L354 WeakPolarHBondContact O-CG 3.24Å; K350-L354 PolarHBondContact O-N 2.73Å; K350-D404 HydrophobicContact CD-CB 4.24Å; K350-D404 IonicContact NZ-OD1 3.65Å; K350-D404 PolarHBondContact NZ-OD1 2.8Å; K350-E407 IonicContact NZ-OE2 3.27Å; K350-E407 PolarHBondContact NZ-OE2 3.17Å; K350-I408 HydrophobicContact CB-CD1 4.49Å; K350-I408 HydrophobicContact CD-CD1 4.5Å; K350-I408 HydrophobicContact CD-CG1 4.29Å; K350-I408 HydrophobicContact CG-CD1 4.05Å; K350-I408 HydrophobicContact CG-CG1 3.95Å
351	S	92.1	Very high	96.9	Very high	46 Å²	46	14.8 Å²	14.8	32%	0.322	7%	0.074	S	C	.	.	H	α-helix	trans	-55.1	-43.3	177.4	31.1	0	0	0	0	113.2	S349 L354 L355	S349-S351 PolarHBondContact O-N 3.45Å; S349-S351 PolarHBondContact OG-OG 3.37Å; S351-L354 PolarHBondContact O-N 3.23Å; S351-L355 WeakPolarHBondContact O-CG 3.39Å; S351-L355 PolarHBondContact O-N 3.2Å
352	V	94.8	Very high	96.8	Very high	9 Å²	9	15 Å²	15	6%	0.055	8%	0.075	C	C	.	.	H	α-helix	trans	-72.4	-34	179.1	170.9	0	0	0	0	111.7	I348 S349 K350 L355 N356 D629 V632 L633	I348-V352 HydrophobicContact CG2-CB 3.74Å; I348-V352 HydrophobicContact CG2-CG1 3.49Å; I348-V352 VanDerWaalsContact CG2-CG1 3.49Å; S349-V352 PolarHBondContact O-N 2.89Å; S349-V352 WeakPolarHBondContact OG-CG2 3.41Å; S349-V352 PolarHBondContact OG-N 3.14Å; K350-V352 VanDerWaalsContact C-N 3.3Å; K350-V352 PolarHBondContact O-N 3.07Å; V352-L355 PolarHBondContact O-N 2.68Å; V352-N356 PolarHBondContact O-N 3.1Å; V352-N356 PolarHBondContact O-ND2 3.05Å; V352-D629 WeakPolarHBondContact CB-OD1 3.33Å; V352-D629 WeakPolarHBondContact CG2-OD1 3.36Å; V352-V632 HydrophobicContact CG1-CG1 3.53Å; V352-L633 HydrophobicContact CG1-CD1 4.17Å; V352-L633 HydrophobicContact CG1-CD2 4.27Å; V352-L633 HydrophobicContact CG1-CG 3.96Å; V352-L633 HydrophobicContact CG2-CD1 4.29Å
353	I	97.1	Very high	96.8	Very high	2 Å²	2	15 Å²	15	1%	0.01	8%	0.075	C	C	.	.	H	α-helix	trans	-61.5	-45.6	170.8	-61.9	172.1	0	0	0	110.5	T343 I348 S349 K350 L355 N356 L357 L368 W370 Y400 I408	T343-I353 HydrophobicContact CG2-CD1 4.45Å; I348-I353 HydrophobicContact CG2-CG1 4.16Å; S349-I353 PolarHBondContact O-N 3.32Å; S349-I353 VanDerWaalsContact O-N 3.07Å; K350-I353 WeakPolarHBondContact O-CB 2.98Å; K350-I353 PolarHBondContact O-N 2.98Å; K350-I353 VanDerWaalsContact O-N 3.14Å; I353-L355 VanDerWaalsContact C-N 3.35Å; I353-L355 PolarHBondContact O-N 3.31Å; I353-N356 WeakPolarHBondContact O-CB 3.47Å; I353-N356 PolarHBondContact O-N 3.17Å; I353-L357 HydrophobicContact CG2-CD1 4.4Å; I353-L357 PolarHBondContact O-N 2.82Å; I353-L368 HydrophobicContact CG2-CD2 3.92Å; I353-W370 HydrophobicContact CD1-CH2 4.28Å; I353-W370 HydrophobicContact CD1-CZ2 3.64Å; I353-Y400 HydrophobicContact CD1-CE1 3.96Å; I353-I408 HydrophobicContact CD1-CD1 4.07Å; I353-I408 HydrophobicContact CG2-CD1 4.29Å; I353-I408 HydrophobicContact CG2-CG1 4.42Å; I353-I408 HydrophobicContact CG2-CG2 3.94Å
354	L	95.8	Very high	96.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.7	-38.9	177.7	-61.2	-175	0	0	0	112.3	K350 S351 N356 L357 E358 I408 F411 V701 L702 H705	K350-L354 HydrophobicContact CG-CD1 4.34Å; K350-L354 HydrophobicContact CG-CG 4.24Å; K350-L354 VanDerWaalsContact O-CG 3.32Å; K350-L354 WeakPolarHBondContact O-CG 3.24Å; K350-L354 PolarHBondContact O-N 2.73Å; S351-L354 PolarHBondContact O-N 3.23Å; L354-N356 VanDerWaalsContact C-N 3.35Å; L354-L357 HydrophobicContact CD2-CD1 4.23Å; L354-L357 WeakPolarHBondContact O-CB 3.44Å; L354-L357 PolarHBondContact O-N 3.24Å; L354-E358 PolarHBondContact O-N 2.82Å; L354-I408 HydrophobicContact CD2-CG1 4.24Å; L354-F411 HydrophobicContact CB-CD1 4.45Å; L354-F411 HydrophobicContact CB-CE1 4.17Å; L354-F411 HydrophobicContact CB-CZ 4.43Å; L354-F411 HydrophobicContact CD2-CB 3.81Å; L354-F411 HydrophobicContact CD2-CD1 3.64Å; L354-F411 HydrophobicContact CD2-CD2 4.26Å; L354-F411 HydrophobicContact CD2-CE1 4.21Å; L354-F411 HydrophobicContact CD2-CG 3.65Å; L354-V701 HydrophobicContact CB-CG1 4.42Å; L354-L702 HydrophobicContact CD1-CD2 4.48Å; L354-H705 HydrophobicContact CD1-CB 4.44Å
355	L	94.9	Very high	96.8	Very high	10 Å²	10	15.1 Å²	15.1	5%	0.052	8%	0.075	C	C	.	.	H	α-helix	trans	-64.6	-37.9	174.4	-71.3	171.9	0	0	0	112.2	S351 V352 I353 E358 A359 L633 I675 I697	S351-L355 WeakPolarHBondContact O-CG 3.39Å; S351-L355 PolarHBondContact O-N 3.2Å; V352-L355 PolarHBondContact O-N 2.68Å; I353-L355 VanDerWaalsContact C-N 3.35Å; I353-L355 PolarHBondContact O-N 3.31Å; L355-E358 PolarHBondContact O-N 2.91Å; L355-A359 PolarHBondContact O-N 2.72Å; L355-L633 HydrophobicContact CB-CD1 4.26Å; L355-L633 HydrophobicContact CB-CD2 4.06Å; L355-L633 HydrophobicContact CD1-CD1 3.71Å; L355-I675 HydrophobicContact CB-CD1 4.11Å; L355-I675 HydrophobicContact CD2-CD1 3.77Å; L355-I675 WeakPolarHBondContact O-CD1 3.38Å; L355-I697 HydrophobicContact CD2-CG2 4.37Å
356	N	97.5	Very high	96.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-63.6	-43.2	172	-82.5	-68	0	0	0	111.5	L339 I341 V352 I353 L354 E358 A359 M360 L633 I636 W637	L339-N356 HydrophobicContact CD2-CB 4.37Å; I341-N356 HydrophobicContact CD1-CB 3.7Å; V352-N356 PolarHBondContact O-N 3.1Å; V352-N356 PolarHBondContact O-ND2 3.05Å; I353-N356 WeakPolarHBondContact O-CB 3.47Å; I353-N356 PolarHBondContact O-N 3.17Å; L354-N356 VanDerWaalsContact C-N 3.35Å; N356-E358 VanDerWaalsContact C-N 3.3Å; N356-E358 PolarHBondContact O-N 3.5Å; N356-A359 PolarHBondContact O-N 3.13Å; N356-A359 VanDerWaalsContact O-N 3.16Å; N356-M360 WeakPolarHBondContact O-CB 3.13Å; N356-M360 WeakPolarHBondContact O-CG 3.31Å; N356-M360 PolarHBondContact O-N 3.35Å; N356-L633 WeakPolarHBondContact ND2-CD2 3.46Å; N356-I636 WeakPolarHBondContact OD1-CD1 3.3Å; N356-W637 PolarHBondContact OD1-NE1 2.68Å
357	L	97.9	Very high	97	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-60.1	-37.4	176.5	-71.7	170.9	0	0	0	112.8	I353 L354 M360 S361 L368 I408 F411 A412 I417	I353-L357 HydrophobicContact CG2-CD1 4.4Å; I353-L357 PolarHBondContact O-N 2.82Å; L354-L357 HydrophobicContact CD2-CD1 4.23Å; L354-L357 WeakPolarHBondContact O-CB 3.44Å; L354-L357 PolarHBondContact O-N 3.24Å; L357-M360 HydrophobicContact CD2-SD 4.1Å; L357-S361 PolarHBondContact O-N 3.47Å; L357-L368 HydrophobicContact CD2-CB 4.04Å; L357-L368 HydrophobicContact CD2-CD2 3.92Å; L357-L368 HydrophobicContact CG-CD2 4.31Å; L357-I408 HydrophobicContact CD1-CG2 4.18Å; L357-F411 HydrophobicContact CB-CD1 3.98Å; L357-F411 HydrophobicContact CB-CE1 3.98Å; L357-F411 HydrophobicContact CD1-CD1 3.82Å; L357-A412 HydrophobicContact CD1-CB 3.95Å; L357-A412 HydrophobicContact CD2-CB 3.82Å; L357-I417 HydrophobicContact CB-CD1 4.44Å; L357-I417 HydrophobicContact CD2-CB 4.26Å; L357-I417 HydrophobicContact CD2-CD1 3.89Å; L357-I417 HydrophobicContact CD2-CG2 3.75Å; L357-I417 VanDerWaalsContact O-CD1 3.31Å; L357-I417 WeakPolarHBondContact O-CD1 3.43Å
358	E	95	Very high	97	Very high	3 Å²	3	7.6 Å²	7.6	1%	0.014	4%	0.043	C	C	.	.	H	α-helix	trans	-61.4	-53.4	171.2	-76.6	-64.6	171.1	0	0	111.7	L354 L355 N356 M360 S361 Y362 F411 R415 I675 V701	L354-E358 PolarHBondContact O-N 2.82Å; L355-E358 PolarHBondContact O-N 2.91Å; N356-E358 VanDerWaalsContact C-N 3.3Å; N356-E358 PolarHBondContact O-N 3.5Å; E358-M360 VanDerWaalsContact C-N 3.29Å; E358-M360 PolarHBondContact O-N 2.63Å; E358-S361 WeakPolarHBondContact O-CA 3.35Å; E358-S361 WeakPolarHBondContact O-CB 3.43Å; E358-S361 PolarHBondContact O-N 3.27Å; E358-S361 PolarHBondContact O-OG 2.85Å; E358-Y362 HydrophobicContact CB-CE2 4.06Å; E358-Y362 WeakPolarHBondContact O-CD2 3.21Å; E358-Y362 VanDerWaalsContact O-CG 3.29Å; E358-Y362 PolarHBondContact O-N 2.89Å; E358-Y362 PolarHBondContact OE2-OH 3.43Å; E358-Y362 VanDerWaalsContact OE2-OH 3.06Å; E358-F411 HydrophobicContact CG-CE1 4.28Å; E358-F411 HydrophobicContact CG-CZ 4.12Å; E358-F411 WeakPolarHBondContact OE1-CZ 3.48Å; E358-R415 IonicContact OE1-CZ 3.57Å; E358-R415 IonicContact OE1-NE 3.53Å; E358-R415 PolarHBondContact OE1-NE 3.18Å; E358-R415 IonicContact OE1-NH2 3.42Å; E358-R415 PolarHBondContact OE1-NH2 3.47Å; E358-I675 HydrophobicContact CB-CD1 4.07Å; E358-V701 HydrophobicContact CG-CG1 4.35Å; E358-V701 HydrophobicContact CG-CG2 4.07Å
359	A	97.2	Very high	97	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-61.3	-38.6	-179.1	0	0	0	0	0	112.1	L355 N356 S361 Y362 N363 W637 L670 I675	L355-A359 PolarHBondContact O-N 2.72Å; N356-A359 PolarHBondContact O-N 3.13Å; N356-A359 VanDerWaalsContact O-N 3.16Å; A359-S361 VanDerWaalsContact C-N 3.33Å; A359-S361 PolarHBondContact O-N 3.14Å; A359-Y362 PolarHBondContact O-N 2.97Å; A359-N363 PolarHBondContact O-N 3.42Å; A359-N363 PolarHBondContact O-ND2 2.83Å; A359-W637 HydrophobicContact CB-CD2 3.74Å; A359-W637 HydrophobicContact CB-CE3 4.34Å; A359-W637 HydrophobicContact CB-CG 4.25Å; A359-W637 HydrophobicContact CB-CH2 4.02Å; A359-W637 HydrophobicContact CB-CZ2 3.37Å; A359-W637 HydrophobicContact CB-CZ3 4.46Å; A359-L670 HydrophobicContact CB-CD2 4.18Å; A359-I675 HydrophobicContact CB-CD1 4.45Å; A359-I675 HydrophobicContact CB-CG1 4.12Å; A359-I675 HydrophobicContact CB-CG2 3.84Å
360	M	98.8	Very high	97.2	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-58.1	-44.7	171.7	-73.1	169.5	73.6	0	0	111.5	L339 N356 L357 E358 Y362 N363 K364 L365 V367 L368 I417 W637	L339-M360 HydrophobicContact CB-CE 4.11Å; L339-M360 HydrophobicContact CB-CG 4.36Å; L339-M360 HydrophobicContact CB-SD 4.14Å; L339-M360 HydrophobicContact CD2-CG 3.97Å; L339-M360 HydrophobicContact CD2-SD 3.98Å; N356-M360 WeakPolarHBondContact O-CB 3.13Å; N356-M360 WeakPolarHBondContact O-CG 3.31Å; N356-M360 PolarHBondContact O-N 3.35Å; L357-M360 HydrophobicContact CD2-SD 4.1Å; E358-M360 VanDerWaalsContact C-N 3.29Å; E358-M360 PolarHBondContact O-N 2.63Å; M360-Y362 VanDerWaalsContact C-N 3.33Å; M360-Y362 PolarHBondContact O-N 2.81Å; M360-N363 CarbonylContact O-C 3.56Å; M360-N363 PolarHBondContact O-N 3.34Å; M360-N363 VanDerWaalsContact O-N 3.09Å; M360-K364 PolarHBondContact O-N 3.23Å; M360-L365 HydrophobicContact CB-CB 3.93Å; M360-L365 HydrophobicContact CB-CD1 4.4Å; M360-L365 HydrophobicContact CE-CB 4.23Å; M360-L365 HydrophobicContact CG-CB 4.21Å; M360-L365 HydrophobicContact CG-CD1 3.99Å; M360-L365 PolarHBondContact O-N 3.34Å; M360-V367 WeakPolarHBondContact CE-O 2.91Å; M360-L368 HydrophobicContact CE-CB 4.02Å; M360-L368 HydrophobicContact SD-CB 4.42Å; M360-L368 HydrophobicContact SD-CD1 4.35Å; M360-I417 HydrophobicContact CB-CD1 3.69Å; M360-I417 HydrophobicContact CE-CD1 4.38Å; M360-I417 HydrophobicContact CE-CG2 3.82Å; M360-W637 HydrophobicContact CG-CH2 4.24Å; M360-W637 HydrophobicContact CG-CZ2 4.02Å
361	S	97.3	Very high	97.3	Very high	3 Å²	3	4.2 Å²	4.2	2%	0.021	3%	0.026	C	C	.	.	H	α-helix	trans	-62.2	-40.2	178.2	85.4	0	0	0	0	112.3	L357 E358 A359 N363 K364	L357-S361 PolarHBondContact O-N 3.47Å; E358-S361 WeakPolarHBondContact O-CA 3.35Å; E358-S361 WeakPolarHBondContact O-CB 3.43Å; E358-S361 PolarHBondContact O-N 3.27Å; E358-S361 PolarHBondContact O-OG 2.85Å; A359-S361 VanDerWaalsContact C-N 3.33Å; A359-S361 PolarHBondContact O-N 3.14Å; S361-N363 PolarHBondContact O-N 3.5Å; S361-K364 PolarHBondContact O-N 3.14Å
362	Y	97	Very high	97.7	Very high	7 Å²	7	2 Å²	2	3%	0.027	1%	0.011	C	C	.	.	H	α-helix	trans	-67.8	-18.9	176.6	-53.7	-29.1	0	0	0	113.5	M149 E306 Q310 E358 A359 M360 Q666 L670 R673 I675	M149-Y362 HydrophobicContact CE-CE1 3.58Å; M149-Y362 WeakPolarHBondContact CE-OH 3.43Å; M149-Y362 HydrophobicContact SD-CE1 4.27Å; E306-Y362 WeakPolarHBondContact OE2-CD1 3.49Å; Q310-Y362 PolarHBondContact NE2-O 2.92Å; Q310-Y362 VanDerWaalsContact NE2-O 3.16Å; E358-Y362 HydrophobicContact CB-CE2 4.06Å; E358-Y362 WeakPolarHBondContact O-CD2 3.21Å; E358-Y362 VanDerWaalsContact O-CG 3.29Å; E358-Y362 PolarHBondContact O-N 2.89Å; E358-Y362 PolarHBondContact OE2-OH 3.43Å; E358-Y362 VanDerWaalsContact OE2-OH 3.06Å; A359-Y362 PolarHBondContact O-N 2.97Å; M360-Y362 VanDerWaalsContact C-N 3.33Å; M360-Y362 PolarHBondContact O-N 2.81Å; Y362-Q666 PolarHBondContact O-NE2 3.39Å; Y362-L670 HydrophobicContact CD2-CD2 3.79Å; Y362-R673 HydrophobicContact CE2-CB 3.82Å; Y362-R673 HydrophobicContact CE2-CG 4.38Å; Y362-I675 HydrophobicContact CE2-CG1 4.15Å
363	N	98.5	Very high	97.8	Very high	1 Å²	1	2 Å²	2	1%	0.005	1%	0.01	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	7	178.9	-70.8	-80.4	0	0	0	112.6	A359 M360 S361 L365 W637 S641 A644 Q666	A359-N363 PolarHBondContact O-N 3.42Å; A359-N363 PolarHBondContact O-ND2 2.83Å; M360-N363 CarbonylContact O-C 3.56Å; M360-N363 PolarHBondContact O-N 3.34Å; M360-N363 VanDerWaalsContact O-N 3.09Å; S361-N363 PolarHBondContact O-N 3.5Å; N363-L365 PolarHBondContact O-N 3.41Å; N363-W637 HydrophobicContact CB-CH2 4.48Å; N363-W637 HydrophobicContact CB-CZ3 4.22Å; N363-W637 WeakPolarHBondContact ND2-CZ3 3.32Å; N363-S641 WeakPolarHBondContact OD1-CB 3.49Å; N363-S641 PolarHBondContact OD1-OG 3.19Å; N363-A644 HydrophobicContact CB-CB 3.84Å; N363-A644 WeakPolarHBondContact O-CB 3.21Å; N363-Q666 VanDerWaalsContact CG-NE2 3.35Å; N363-Q666 PolarHBondContact ND2-NE2 3.44Å; N363-Q666 PolarHBondContact OD1-NE2 3.21Å
364	K	98.5	Very high	97.9	Very high	1 Å²	1	1.9 Å²	1.9	0%	0.004	1%	0.01	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	26.7	-178.6	-49.3	-171.7	176.1	87.8	0	114.7	P108 R303 T307 R337 M360 S361 W648	P108-K364 HydrophobicContact CG-CB 4.3Å; P108-K364 HydrophobicContact CG-CD 3.84Å; P108-K364 HydrophobicContact CG-CG 4.15Å; R303-K364 HydrophobicContact CB-CD 4.13Å; R303-K364 HydrophobicContact CG-CD 4.46Å; T307-K364 WeakPolarHBondContact OG1-CE 3.27Å; T307-K364 PolarHBondContact OG1-NZ 3.15Å; R337-K364 PolarHBondContact NE-O 3.46Å; R337-K364 PolarHBondContact NH2-O 2.86Å; M360-K364 PolarHBondContact O-N 3.23Å; S361-K364 PolarHBondContact O-N 3.14Å; K364-W648 HydrophobicContact CB-CD2 4.07Å; K364-W648 HydrophobicContact CB-CE3 3.47Å; K364-W648 VanDerWaalsContact CB-CE3 3.47Å; K364-W648 HydrophobicContact CB-CH2 4.44Å; K364-W648 HydrophobicContact CB-CZ3 3.69Å; K364-W648 HydrophobicContact CD-CD2 3.61Å; K364-W648 VanDerWaalsContact CD-CE2 3.45Å; K364-W648 HydrophobicContact CD-CE3 3.69Å; K364-W648 HydrophobicContact CD-CG 4.43Å; K364-W648 HydrophobicContact CD-CH2 3.6Å; K364-W648 HydrophobicContact CD-CZ2 3.46Å; K364-W648 VanDerWaalsContact CD-CZ2 3.46Å; K364-W648 HydrophobicContact CD-CZ3 3.69Å; K364-W648 HydrophobicContact CG-CD2 4.5Å; K364-W648 HydrophobicContact CG-CE3 4.25Å; K364-W648 HydrophobicContact CG-CZ3 4.3Å
365	L	98.8	Very high	97.9	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.025	C	C	.	.			trans	-73.5	146.7	165.5	-65.2	175	0	0	0	109.4	R337 L339 M360 N363 W637 T640 A644	R337-L365 HydrophobicContact CB-CD2 3.84Å; L339-L365 HydrophobicContact CB-CD1 4.38Å; M360-L365 HydrophobicContact CB-CB 3.93Å; M360-L365 HydrophobicContact CB-CD1 4.4Å; M360-L365 HydrophobicContact CE-CB 4.23Å; M360-L365 HydrophobicContact CG-CB 4.21Å; M360-L365 HydrophobicContact CG-CD1 3.99Å; M360-L365 PolarHBondContact O-N 3.34Å; N363-L365 PolarHBondContact O-N 3.41Å; L365-W637 HydrophobicContact CD1-CH2 3.95Å; L365-T640 HydrophobicContact CD1-CG2 3.76Å; L365-A644 HydrophobicContact CD1-CB 4.36Å; L365-A644 HydrophobicContact CD2-CB 3.66Å; L365-A644 HydrophobicContact CG-CB 3.86Å
366	N	98.7	Very high	98	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.005	4%	0.039	C	C	.	.			trans	-131.3	4.7	-171	71.7	-13.9	0	0	0	114.4	M278 E280 K335 R337 I417 R418	M278-N366 HydrophobicContact CE-CB 3.61Å; M278-N366 WeakPolarHBondContact CE-ND2 3.45Å; E280-N366 PolarHBondContact OE1-ND2 3.36Å; K335-N366 PolarHBondContact O-ND2 2.9Å; R337-N366 PolarHBondContact N-OD1 3.47Å; R337-N366 PolarHBondContact NH1-ND2 2.93Å; R337-N366 PolarHBondContact NH2-ND2 3.24Å; R337-N366 PolarHBondContact O-N 3.26Å; R337-N366 PolarHBondContact O-OD1 3.15Å; N366-I417 WeakPolarHBondContact O-CA 3.14Å; N366-R418 WeakPolarHBondContact O-CB 3.31Å; N366-R418 PolarHBondContact O-N 3.33Å
367	V	98.9	Very high	98	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	122.9	176.1	178	0	0	0	0	110.2	R337 G338 L339 M360 R418 I420	R337-V367 PolarHBondContact O-N 3.31Å; G338-V367 CarbonylContact C-O 3.6Å; G338-V367 WeakPolarHBondContact CA-O 2.87Å; L339-V367 PolarHBondContact N-O 3.45Å; M360-V367 WeakPolarHBondContact CE-O 2.91Å; V367-R418 CarbonylContact C-O 3.49Å; V367-R418 WeakPolarHBondContact CA-O 3.43Å; V367-R418 HydrophobicContact CG2-CB 4.22Å; V367-I420 HydrophobicContact CG1-CD1 3.69Å; V367-I420 HydrophobicContact CG1-CG1 4.12Å
368	L	98.9	Very high	98	Very high	2 Å²	2	8 Å²	8	1%	0.01	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	110.1	160	174	64.4	0	0	0	106.5	I341 I353 L357 M360 W370 I408 I417 R418 V419 I420	I341-L368 HydrophobicContact CD1-CD1 3.83Å; I341-L368 HydrophobicContact CG1-CD1 4.03Å; I353-L368 HydrophobicContact CG2-CD2 3.92Å; L357-L368 HydrophobicContact CD2-CB 4.04Å; L357-L368 HydrophobicContact CD2-CD2 3.92Å; L357-L368 HydrophobicContact CG-CD2 4.31Å; M360-L368 HydrophobicContact CE-CB 4.02Å; M360-L368 HydrophobicContact SD-CB 4.42Å; M360-L368 HydrophobicContact SD-CD1 4.35Å; L368-W370 HydrophobicContact CG-CB 4.43Å; L368-I408 HydrophobicContact CD2-CG2 4.48Å; L368-I417 HydrophobicContact CB-CG2 4.15Å; L368-R418 PolarHBondContact N-O 3.26Å; L368-V419 HydrophobicContact CB-CG2 4.46Å; L368-V419 HydrophobicContact CD2-CG1 4.3Å; L368-V419 HydrophobicContact CD2-CG2 4.43Å; L368-V419 WeakPolarHBondContact O-CA 3.39Å; L368-I420 PolarHBondContact O-N 3.13Å
369	H	98.9	Very high	98.2	Very high	2 Å²	2	8 Å²	8	1%	0.009	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	114.2	167.1	177.2	-176	0	0	0	106.7	L339 M340 I341 I420 E422 H484 W545 Q562 E619	L339-H369 PolarHBondContact O-N 2.66Å; M340-H369 CarbonylContact C-O 3.59Å; M340-H369 WeakPolarHBondContact CA-O 3.41Å; M340-H369 HydrophobicContact CB-CB 3.81Å; M340-H369 HydrophobicContact CG-CB 4.03Å; I341-H369 PolarHBondContact N-O 3.31Å; H369-I420 WeakPolarHBondContact CA-O 3.49Å; H369-E422 IonicContact CE1-OE2 3.53Å; H369-E422 WeakPolarHBondContact NE2-CB 3.4Å; H369-E422 IonicContact NE2-OE2 3.35Å; H369-E422 PolarHBondContact NE2-OE2 2.86Å; H369-E422 VanDerWaalsContact NE2-OE2 3.13Å; H369-H484 AromaticContact CE1-CD2 3.46Å; H369-H484 PolarHBondContact CE1-CD2 3.4Å; H369-H484 VanDerWaalsContact CE1-CD2 3.46Å; H369-H484 AromaticContact CE1-CG 3.74Å; H369-H484 AromaticContact NE2-CD2 3.65Å; H369-H484 AromaticContact NE2-CG 3.46Å; H369-W545 AromaticContact CE1-CZ2 3.92Å; H369-Q562 PolarHBondContact CE1-OE1 3.46Å; H369-Q562 PolarHBondContact ND1-OE1 2.88Å; H369-E619 WeakPolarHBondContact CB-OE2 3.13Å; H369-E619 IonicContact CE1-OE2 2.72Å; H369-E619 IonicContact CG-OE2 2.7Å; H369-E619 IonicContact ND1-OE1 3.5Å; H369-E619 IonicContact ND1-OE2 3.52Å; H369-E619 PolarHBondContact ND1-OE2 2.86Å
370	W	98.8	Very high	98.3	Very high	2 Å²	2	8 Å²	8	1%	0.008	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	103.7	-173.2	-171.1	2.9	0	0	0	109.5	T343 I353 L368 I372 Y400 I405 I408 V419 I420 P421 E422 F478	T343-W370 PolarHBondContact OG1-NE1 2.94Å; I353-W370 HydrophobicContact CD1-CH2 4.28Å; I353-W370 HydrophobicContact CD1-CZ2 3.64Å; L368-W370 HydrophobicContact CG-CB 4.43Å; W370-I372 HydrophobicContact CB-CG1 4.21Å; W370-I372 HydrophobicContact CD2-CD1 3.8Å; W370-I372 HydrophobicContact CD2-CG1 3.87Å; W370-I372 HydrophobicContact CE3-CD1 3.97Å; W370-I372 HydrophobicContact CG-CD1 4.08Å; W370-I372 HydrophobicContact CG-CG1 3.71Å; W370-I372 HydrophobicContact CZ3-CD1 4.43Å; W370-I372 WeakPolarHBondContact O-CG1 3.18Å; W370-I372 PolarHBondContact O-N 3.11Å; W370-Y400 AromaticContact CH2-CD1 3.95Å; W370-Y400 HydrophobicContact CH2-CD1 3.95Å; W370-Y400 HydrophobicContact CH2-CD2 4.27Å; W370-Y400 HydrophobicContact CH2-CE1 4.37Å; W370-Y400 AromaticContact CH2-CG 3.89Å; W370-Y400 HydrophobicContact CH2-CG 3.89Å; W370-Y400 AromaticContact CZ2-CD1 3.68Å; W370-Y400 HydrophobicContact CZ2-CD1 3.68Å; W370-Y400 AromaticContact CZ2-CD2 3.61Å; W370-Y400 HydrophobicContact CZ2-CD2 3.61Å; W370-Y400 AromaticContact CZ2-CE1 3.72Å; W370-Y400 HydrophobicContact CZ2-CE1 3.72Å; W370-Y400 AromaticContact CZ2-CE2 3.64Å; W370-Y400 HydrophobicContact CZ2-CE2 3.64Å; W370-Y400 AromaticContact CZ2-CG 3.62Å; W370-Y400 HydrophobicContact CZ2-CG 3.62Å; W370-Y400 AromaticContact CZ2-CZ 3.69Å; W370-I405 HydrophobicContact CH2-CG1 4.22Å; W370-I405 HydrophobicContact CZ3-CG1 4.29Å; W370-I408 HydrophobicContact CE3-CG2 4.5Å; W370-I408 HydrophobicContact CH2-CD1 3.45Å; W370-I408 VanDerWaalsContact CH2-CD1 3.45Å; W370-I408 HydrophobicContact CZ2-CD1 4.25Å; W370-I408 HydrophobicContact CZ3-CB 4.46Å; W370-I408 HydrophobicContact CZ3-CD1 3.79Å; W370-I408 HydrophobicContact CZ3-CG2 4.13Å; W370-V419 HydrophobicContact CE3-CG1 4.19Å; W370-I420 PolarHBondContact N-O 3.31Å; W370-P421 CarbonylContact O-C 3.51Å; W370-E422 PolarHBondContact O-N 3.39Å; W370-F478 AromaticContact CE3-CE1 3.86Å; W370-F478 HydrophobicContact CE3-CE1 3.86Å; W370-F478 HydrophobicContact CE3-CZ 4.13Å; W370-F478 HydrophobicContact CZ3-CE1 4.07Å; W370-F478 HydrophobicContact CZ3-CZ 4.12Å
371	H	98.8	Very high	98.2	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	98.6	173	-175.6	100.7	0	0	0	109.3	M340 I341 D342 T343 S344 V373 D374 E422 D424 W623	M340-H371 HydrophobicContact CG-CB 4.42Å; M340-H371 HydrophobicContact SD-CB 4.06Å; I341-H371 PolarHBondContact O-N 3.48Å; D342-H371 HydrophobicContact CB-CB 4.35Å; D342-H371 IonicContact OD1-CD2 3.51Å; T343-H371 PolarHBondContact N-O 3.28Å; T343-H371 PolarHBondContact OG1-O 2.74Å; S344-H371 PolarHBondContact OG-CD2 3.31Å; H371-V373 PolarHBondContact NE2-O 2.89Å; H371-D374 IonicContact NE2-OD2 2.74Å; H371-D374 PolarHBondContact NE2-OD2 3.11Å; H371-E422 HydrophobicContact CB-CB 4.45Å; H371-E422 IonicContact CE1-OE2 3.13Å; H371-E422 IonicContact CG-OE2 3.52Å; H371-E422 IonicContact ND1-OE1 3.13Å; H371-E422 IonicContact ND1-OE2 3.55Å; H371-E422 PolarHBondContact ND1-OE2 3.12Å; H371-D424 IonicContact CE1-OD2 2.64Å; H371-W623 AromaticContact CE1-CZ3 3.82Å; H371-W623 AromaticContact ND1-CZ3 3.82Å
372	I	98.6	Very high	98.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-38.5	-163.7	-45.7	-167.7	0	0	0	111.5	W370 P379 Y400 P421 E422 F423 F478	W370-I372 HydrophobicContact CB-CG1 4.21Å; W370-I372 HydrophobicContact CD2-CD1 3.8Å; W370-I372 HydrophobicContact CD2-CG1 3.87Å; W370-I372 HydrophobicContact CE3-CD1 3.97Å; W370-I372 HydrophobicContact CG-CD1 4.08Å; W370-I372 HydrophobicContact CG-CG1 3.71Å; W370-I372 HydrophobicContact CZ3-CD1 4.43Å; W370-I372 WeakPolarHBondContact O-CG1 3.18Å; W370-I372 PolarHBondContact O-N 3.11Å; I372-P379 HydrophobicContact CG2-CG 4.37Å; I372-P379 WeakPolarHBondContact O-CD 3.2Å; I372-P379 WeakPolarHBondContact O-CG 3.24Å; I372-Y400 HydrophobicContact CG2-CD2 3.96Å; I372-Y400 HydrophobicContact CG2-CE2 4.31Å; I372-P421 HydrophobicContact CD1-CB 3.85Å; I372-E422 PolarHBondContact N-O 3.4Å; I372-F423 HydrophobicContact CD1-CE2 4.06Å; I372-F423 HydrophobicContact CD1-CZ 4.37Å; I372-F478 HydrophobicContact CD1-CE1 4.24Å; I372-F478 HydrophobicContact CD1-CE2 4.11Å; I372-F478 HydrophobicContact CD1-CZ 3.47Å; I372-F478 VanDerWaalsContact CD1-CZ 3.47Å
373	V	98.4	Very high	98.3	Very high	7 Å²	7	15.6 Å²	15.6	4%	0.042	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	143.6	-168.8	-58	0	0	0	0	110.2	H371 F378 F423	H371-V373 PolarHBondContact NE2-O 2.89Å; V373-F378 HydrophobicContact CB-CD2 3.69Å; V373-F378 HydrophobicContact CB-CE2 3.89Å; V373-F378 HydrophobicContact CB-CG 4.32Å; V373-F378 HydrophobicContact CG1-CD1 4.13Å; V373-F378 HydrophobicContact CG1-CD2 3.56Å; V373-F378 HydrophobicContact CG1-CE1 4.21Å; V373-F378 HydrophobicContact CG1-CE2 3.63Å; V373-F378 HydrophobicContact CG1-CG 3.82Å; V373-F378 HydrophobicContact CG1-CZ 3.96Å; V373-F378 HydrophobicContact CG2-CD2 4.26Å; V373-F378 HydrophobicContact CG2-CE2 3.99Å; V373-F423 HydrophobicContact CG1-CD1 4.35Å; V373-F423 HydrophobicContact CG1-CE1 4.17Å; V373-F423 HydrophobicContact CG2-CB 4.32Å; V373-F423 HydrophobicContact CG2-CD1 3.71Å; V373-F423 HydrophobicContact CG2-CE1 4.35Å; V373-F423 HydrophobicContact CG2-CG 4.2Å
374	D	97.8	Very high	98.3	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.101	C	C	.	.			trans	-156.1	-174.8	178.1	-164.4	-35	0	0	0	107.8	S344 R345 H371 Q376 S377 H428 S431	S344-D374 VanDerWaalsContact CB-N 3.32Å; S344-D374 WeakPolarHBondContact OG-CB 3.48Å; R345-D374 IonicContact CZ-OD2 3.11Å; R345-D374 VanDerWaalsContact CZ-OD2 3.27Å; R345-D374 IonicContact NE-OD2 3.68Å; R345-D374 PolarHBondContact NE-OD2 3.4Å; R345-D374 IonicContact NH2-OD1 2.77Å; R345-D374 PolarHBondContact NH2-OD1 2.91Å; R345-D374 IonicContact NH2-OD2 2.64Å; R345-D374 PolarHBondContact NH2-OD2 2.83Å; H371-D374 IonicContact NE2-OD2 2.74Å; H371-D374 PolarHBondContact NE2-OD2 3.11Å; D374-Q376 VanDerWaalsContact CG-OE1 3.25Å; D374-Q376 PolarHBondContact O-N 2.68Å; D374-Q376 PolarHBondContact OD1-OE1 2.68Å; D374-S377 PolarHBondContact N-O 2.89Å; D374-S377 PolarHBondContact O-N 2.75Å; D374-S377 VanDerWaalsContact O-O 3.08Å; D374-H428 CarbonylContact C-O 3.6Å; D374-H428 VanDerWaalsContact C-O 3.28Å; D374-H428 VanDerWaalsContact CA-O 3.22Å; D374-H428 WeakPolarHBondContact CA-O 3.44Å; D374-H428 WeakPolarHBondContact OD1-CB 3.36Å; D374-H428 IonicContact OD1-CG 2.67Å; D374-H428 IonicContact OD1-ND1 2.73Å; D374-S431 VanDerWaalsContact O-CB 3.24Å; D374-S431 WeakPolarHBondContact O-CB 3.16Å; D374-S431 PolarHBondContact O-OG 2.59Å
375	D	96.5	Very high	98.3	Very high	58 Å²	58	20.6 Å²	20.6	31%	0.31	11%	0.106	S	C	.	.	S	Bend	trans	-49.2	-38.1	175.6	-86.7	-0.4	0	0	0	114	H428 T429 R430 S431	D375-H428 PolarHBondContact N-O 2.94Å; D375-H428 VanDerWaalsContact OD1-CA 3.29Å; D375-H428 WeakPolarHBondContact OD1-CA 3.34Å; D375-T429 PolarHBondContact OD1-N 3.24Å; D375-R430 HydrophobicContact CB-CB 3.9Å; D375-R430 VanDerWaalsContact CG-CB 3.47Å; D375-R430 WeakPolarHBondContact OD1-CB 3.19Å; D375-R430 PolarHBondContact OD1-N 3.2Å; D375-S431 PolarHBondContact O-N 3.3Å
376	Q	96.8	Very high	98.3	Very high	77 Å²	77	23.8 Å²	23.8	36%	0.36	13%	0.127	S	C	.	.	S	Bend	trans	-84	-33	-168.9	-55.2	76.5	8	0	0	112.2	D374 Y394	D374-Q376 VanDerWaalsContact CG-OE1 3.25Å; D374-Q376 PolarHBondContact O-N 2.68Å; D374-Q376 PolarHBondContact OD1-OE1 2.68Å; Q376-Y394 WeakPolarHBondContact CB-OH 3.12Å
377	S	98	Very high	98.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.			trans	-157.6	154	172.1	75.8	0	0	0	0	114.7	S344 D374 P379 G392 Y394	S344-S377 WeakPolarHBondContact CA-OG 3.24Å; S344-S377 WeakPolarHBondContact O-CB 3.22Å; S344-S377 PolarHBondContact O-OG 3Å; D374-S377 PolarHBondContact N-O 2.89Å; D374-S377 PolarHBondContact O-N 2.75Å; D374-S377 VanDerWaalsContact O-O 3.08Å; S377-P379 VanDerWaalsContact C-CD 3.45Å; S377-P379 WeakPolarHBondContact O-CD 3.29Å; S377-G392 CarbonylContact C-O 3.48Å; S377-G392 WeakPolarHBondContact CA-O 3.42Å; S377-G392 WeakPolarHBondContact CB-O 3.42Å; S377-Y394 WeakPolarHBondContact OG-CE2 3.5Å
378	F	98.5	Very high	98.2	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.018	14%	0.141	C	C	.	.			trans	-116.6	78.3	171.5	-159.6	-80.5	0	0	0	109.9	V373 Y380 L388 S389 G392 F423 L432 L470	V373-F378 HydrophobicContact CB-CD2 3.69Å; V373-F378 HydrophobicContact CB-CE2 3.89Å; V373-F378 HydrophobicContact CB-CG 4.32Å; V373-F378 HydrophobicContact CG1-CD1 4.13Å; V373-F378 HydrophobicContact CG1-CD2 3.56Å; V373-F378 HydrophobicContact CG1-CE1 4.21Å; V373-F378 HydrophobicContact CG1-CE2 3.63Å; V373-F378 HydrophobicContact CG1-CG 3.82Å; V373-F378 HydrophobicContact CG1-CZ 3.96Å; V373-F378 HydrophobicContact CG2-CD2 4.26Å; V373-F378 HydrophobicContact CG2-CE2 3.99Å; F378-Y380 VanDerWaalsContact C-N 3.32Å; F378-Y380 WeakPolarHBondContact CD1-O 3.49Å; F378-Y380 AromaticContact CE1-CD1 3.95Å; F378-Y380 HydrophobicContact CE1-CD1 3.95Å; F378-Y380 HydrophobicContact CE1-CG 4.4Å; F378-Y380 VanDerWaalsContact CE1-O 3.29Å; F378-Y380 WeakPolarHBondContact CE1-O 3.3Å; F378-Y380 HydrophobicContact CZ-CD1 4.36Å; F378-Y380 PolarHBondContact O-N 3.4Å; F378-L388 HydrophobicContact CD1-CB 3.58Å; F378-L388 HydrophobicContact CD1-CD1 4.5Å; F378-L388 HydrophobicContact CE1-CB 3.54Å; F378-L388 HydrophobicContact CE1-CD1 3.66Å; F378-L388 HydrophobicContact CE1-CG 4.2Å; F378-L388 HydrophobicContact CG-CB 4.33Å; F378-L388 HydrophobicContact CZ-CB 4.28Å; F378-L388 HydrophobicContact CZ-CD1 3.68Å; F378-S389 VanDerWaalsContact O-CA 3.27Å; F378-S389 WeakPolarHBondContact O-CA 3.47Å; F378-S389 WeakPolarHBondContact O-CB 3.44Å; F378-G392 PolarHBondContact N-O 3.35Å; F378-F423 HydrophobicContact CZ-CD1 4.38Å; F378-F423 HydrophobicContact CZ-CE1 4.11Å; F378-L432 HydrophobicContact CD2-CD2 3.56Å; F378-L432 HydrophobicContact CD2-CG 4.21Å; F378-L432 HydrophobicContact CE2-CD2 3.39Å; F378-L432 HydrophobicContact CE2-CG 4.24Å; F378-L432 HydrophobicContact CG-CD2 4.42Å; F378-L432 HydrophobicContact CZ-CD2 4.11Å; F378-L470 HydrophobicContact CZ-CD2 4.24Å
379	P	98.4	Very high	98.2	Very high	1 Å²	1	27 Å²	27	1%	0.006	14%	0.143	C	C	.	.			trans	-78.6	-10.8	-176.5	31.1	-36.5	0	0	0	113.7	F347 I372 S377 Q381 V399 Y400	F347-P379 HydrophobicContact CD2-CB 4.08Å; F347-P379 HydrophobicContact CE2-CB 4.2Å; I372-P379 HydrophobicContact CG2-CG 4.37Å; I372-P379 WeakPolarHBondContact O-CD 3.2Å; I372-P379 WeakPolarHBondContact O-CG 3.24Å; S377-P379 VanDerWaalsContact C-CD 3.45Å; S377-P379 WeakPolarHBondContact O-CD 3.29Å; P379-Q381 PolarHBondContact O-N 3.46Å; P379-V399 CarbonylContact O-C 3.47Å; P379-V399 WeakPolarHBondContact O-CA 3.48Å; P379-V399 WeakPolarHBondContact O-CB 3.41Å; P379-Y400 HydrophobicContact CB-CD2 3.9Å; P379-Y400 HydrophobicContact CB-CE2 3.88Å; P379-Y400 HydrophobicContact CG-CD2 4.02Å; P379-Y400 HydrophobicContact CG-CE2 3.78Å; P379-Y400 PolarHBondContact O-N 2.68Å
380	Y	98.7	Very high	98.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-66.9	115.2	174.8	177.1	-98.4	0	0	0	110.9	F378 S382 S389 I405 F423 L470 E473 V474 L477 F478	F378-Y380 VanDerWaalsContact C-N 3.32Å; F378-Y380 WeakPolarHBondContact CD1-O 3.49Å; F378-Y380 AromaticContact CE1-CD1 3.95Å; F378-Y380 HydrophobicContact CE1-CD1 3.95Å; F378-Y380 HydrophobicContact CE1-CG 4.4Å; F378-Y380 VanDerWaalsContact CE1-O 3.29Å; F378-Y380 WeakPolarHBondContact CE1-O 3.3Å; F378-Y380 HydrophobicContact CZ-CD1 4.36Å; F378-Y380 PolarHBondContact O-N 3.4Å; Y380-S382 PolarHBondContact O-N 2.94Å; Y380-S389 WeakPolarHBondContact O-CB 3.49Å; Y380-I405 HydrophobicContact CD2-CD1 3.5Å; Y380-I405 HydrophobicContact CE2-CD1 3.34Å; Y380-F423 AromaticContact CD1-CE1 3.86Å; Y380-F423 HydrophobicContact CD1-CE1 3.86Å; Y380-F423 AromaticContact CD1-CZ 3.98Å; Y380-F423 HydrophobicContact CD1-CZ 3.98Å; Y380-F423 HydrophobicContact CD2-CE1 4.29Å; Y380-F423 AromaticContact CD2-CZ 3.64Å; Y380-F423 HydrophobicContact CD2-CZ 3.64Å; Y380-F423 HydrophobicContact CE1-CE1 4.39Å; Y380-F423 HydrophobicContact CE1-CZ 4.29Å; Y380-F423 AromaticContact CE2-CZ 3.98Å; Y380-F423 HydrophobicContact CE2-CZ 3.98Å; Y380-F423 AromaticContact CG-CE1 3.79Å; Y380-F423 HydrophobicContact CG-CE1 3.79Å; Y380-F423 AromaticContact CG-CZ 3.63Å; Y380-F423 HydrophobicContact CG-CZ 3.63Å; Y380-L470 HydrophobicContact CD1-CD1 4.27Å; Y380-L470 HydrophobicContact CE1-CD1 3.8Å; Y380-E473 WeakPolarHBondContact CE1-OE1 3.48Å; Y380-E473 PolarHBondContact OH-OE1 2.86Å; Y380-V474 HydrophobicContact CE1-CG2 4.11Å; Y380-V474 HydrophobicContact CE2-CG2 4.42Å; Y380-L477 HydrophobicContact CE2-CD1 4.01Å; Y380-L477 WeakPolarHBondContact OH-CD1 3.44Å; Y380-F478 HydrophobicContact CE2-CE2 4.38Å
381	Q	98.4	Very high	98.2	Very high	64 Å²	64	35.9 Å²	35.9	30%	0.299	19%	0.194	S	C	.	.			trans	-85.6	102.7	176	179.3	-179.6	79	0	0	109.8	P379 S389 V399 Y400 T401	P379-Q381 PolarHBondContact O-N 3.46Å; Q381-S389 WeakPolarHBondContact CA-OG 3.42Å; Q381-V399 HydrophobicContact CB-CB 4.34Å; Q381-V399 HydrophobicContact CB-CG2 4.49Å; Q381-Y400 PolarHBondContact N-O 3.33Å; Q381-T401 VanDerWaalsContact OE1-CG2 3.24Å
382	S	98.5	Very high	98.1	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.007	20%	0.196	C	C	.	.			trans	-77.2	138.8	174.3	-178.4	0	0	0	0	111.2	Y380 V384 Y385 P386 E473	Y380-S382 PolarHBondContact O-N 2.94Å; S382-V384 PolarHBondContact OG-N 3.32Å; S382-Y385 PolarHBondContact OG-N 2.82Å; S382-P386 VanDerWaalsContact O-CA 3.29Å; S382-P386 WeakPolarHBondContact O-CA 3.43Å; S382-E473 WeakPolarHBondContact CA-OE1 3.37Å; S382-E473 WeakPolarHBondContact CB-OE1 3.48Å; S382-E473 VanDerWaalsContact OG-CD 3.31Å; S382-E473 PolarHBondContact OG-OE1 3.19Å; S382-E473 PolarHBondContact OG-OE2 3.28Å
383	D	97.8	Very high	98.1	Very high	106 Å²	106	36.9 Å²	36.9	57%	0.567	20%	0.203	S	C	*	.	S	Bend	trans	-79.5	-31.7	171.2	-66.5	-45	0	0	0	110.4	S402 E473	D383-S402 PolarHBondContact OD2-OG 2.84Å; D383-E473 WeakPolarHBondContact CA-OE2 3.22Å; D383-E473 WeakPolarHBondContact CB-OE2 3.32Å; D383-E473 PolarHBondContact N-OE1 2.65Å; D383-E473 PolarHBondContact N-OE2 3.05Å
384	V	97.9	Very high	98	Very high	76 Å²	76	41.7 Å²	41.7	46%	0.461	22%	0.221	S	C	.	.	S	Bend	trans	-78.1	-36.5	177.2	179.7	0	0	0	0	112.5	S382 N469 E473	S382-V384 PolarHBondContact OG-N 3.32Å; V384-N469 HydrophobicContact CG1-CB 4.22Å; V384-E473 HydrophobicContact CG2-CB 4.41Å; V384-E473 WeakPolarHBondContact CG2-OE2 3.19Å; V384-E473 PolarHBondContact N-OE2 2.69Å
385	Y	98.4	Very high	98	Very high	31 Å²	31	48.3 Å²	48.3	12%	0.122	25%	0.246	C	C	.	.			trans	-128.7	70.8	176.7	-60.4	-73.2	0	0	0	112.4	S382 E387 L388 L466 N469	S382-Y385 PolarHBondContact OG-N 2.82Å; Y385-E387 VanDerWaalsContact C-OE2 3.3Å; Y385-E387 PolarHBondContact O-N 2.9Å; Y385-E387 VanDerWaalsContact O-N 3.08Å; Y385-L388 HydrophobicContact CG-CD1 4.46Å; Y385-L388 WeakPolarHBondContact O-CB 3.48Å; Y385-L388 WeakPolarHBondContact O-CG 3.32Å; Y385-L388 PolarHBondContact O-N 3.2Å; Y385-L466 HydrophobicContact CE2-CG 4.09Å; Y385-N469 HydrophobicContact CE2-CB 3.62Å; Y385-N469 WeakPolarHBondContact OH-CB 3.36Å; Y385-N469 PolarHBondContact OH-ND2 3.43Å
386	P	98.2	Very high	97.9	Very high	67 Å²	67	53.8 Å²	53.8	44%	0.435	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.9	-177.5	-24.2	34.8	0	0	0	114.3	S382 L388 A390	S382-P386 VanDerWaalsContact O-CA 3.29Å; S382-P386 WeakPolarHBondContact O-CA 3.43Å; P386-L388 PolarHBondContact O-N 2.98Å; P386-A390 WeakPolarHBondContact O-CB 3.2Å; P386-A390 PolarHBondContact O-N 2.99Å
387	E	98.4	Very high	97.9	Very high	65 Å²	65	54.1 Å²	54.1	30%	0.304	27%	0.274	S	S	.	.	H	α-helix	trans	-65	-22	178.1	67.4	-85.5	-156.6	0	0	114.1	Y385 A390 K391 H436	Y385-E387 VanDerWaalsContact C-OE2 3.3Å; Y385-E387 PolarHBondContact O-N 2.9Å; Y385-E387 VanDerWaalsContact O-N 3.08Å; E387-A390 PolarHBondContact O-N 3.46Å; E387-K391 PolarHBondContact O-N 3.47Å; E387-K391 VanDerWaalsContact O-N 3.11Å; E387-H436 IonicContact OE1-CE1 2.74Å; E387-H436 PolarHBondContact OE1-CE1 3.18Å; E387-H436 IonicContact OE1-NE2 3.6Å; E387-H436 PolarHBondContact OE1-NE2 3.4Å
388	L	98.5	Very high	97.8	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-59	-57.6	178.3	-64.5	-177.5	0	0	0	110.4	F378 Y385 P386 G392 L432 S435 H436 L470	F378-L388 HydrophobicContact CD1-CB 3.58Å; F378-L388 HydrophobicContact CD1-CD1 4.5Å; F378-L388 HydrophobicContact CE1-CB 3.54Å; F378-L388 HydrophobicContact CE1-CD1 3.66Å; F378-L388 HydrophobicContact CE1-CG 4.2Å; F378-L388 HydrophobicContact CG-CB 4.33Å; F378-L388 HydrophobicContact CZ-CB 4.28Å; F378-L388 HydrophobicContact CZ-CD1 3.68Å; Y385-L388 HydrophobicContact CG-CD1 4.46Å; Y385-L388 WeakPolarHBondContact O-CB 3.48Å; Y385-L388 WeakPolarHBondContact O-CG 3.32Å; Y385-L388 PolarHBondContact O-N 3.2Å; P386-L388 PolarHBondContact O-N 2.98Å; L388-G392 VanDerWaalsContact O-CA 3.25Å; L388-G392 WeakPolarHBondContact O-CA 3.26Å; L388-G392 PolarHBondContact O-N 2.85Å; L388-L432 HydrophobicContact CD1-CD2 4.4Å; L388-L432 HydrophobicContact CD2-CD2 3.67Å; L388-S435 WeakPolarHBondContact CD2-OG 3.2Å; L388-H436 VanDerWaalsContact CD2-CD2 3.41Å; L388-H436 WeakPolarHBondContact CD2-CD2 3.39Å; L388-L470 HydrophobicContact CD1-CD1 4.16Å; L388-L470 HydrophobicContact CD1-CD2 4.35Å
389	S	98.3	Very high	97.8	Very high	5 Å²	5	56.9 Å²	56.9	4%	0.035	29%	0.289	C	S	.	.	H	α-helix	trans	-74.8	-32.4	176.7	59.4	0	0	0	0	112.9	F378 Y380 Q381 K391 A393	F378-S389 VanDerWaalsContact O-CA 3.27Å; F378-S389 WeakPolarHBondContact O-CA 3.47Å; F378-S389 WeakPolarHBondContact O-CB 3.44Å; Y380-S389 WeakPolarHBondContact O-CB 3.49Å; Q381-S389 WeakPolarHBondContact CA-OG 3.42Å; S389-K391 PolarHBondContact O-N 2.89Å; S389-A393 WeakPolarHBondContact O-CB 3.45Å; S389-A393 PolarHBondContact O-N 3.39Å
390	A	98.3	Very high	97.8	Very high	72 Å²	72	56.9 Å²	56.9	60%	0.595	29%	0.289	S	S	*	.	H	α-helix	trans	-61.8	-28.1	-179	0	0	0	0	0	112.8	P386 E387	P386-A390 WeakPolarHBondContact O-CB 3.2Å; P386-A390 PolarHBondContact O-N 2.99Å; E387-A390 PolarHBondContact O-N 3.46Å
391	K	98.2	Very high	97.8	Very high	118 Å²	118	58.6 Å²	58.6	51%	0.513	30%	0.3	S	S	.	.	H	α-helix	trans	-108.4	-28.9	175.7	-61.4	-173.3	-175.1	172.2	0	113.9	E387 S389 L434	E387-K391 PolarHBondContact O-N 3.47Å; E387-K391 VanDerWaalsContact O-N 3.11Å; S389-K391 PolarHBondContact O-N 2.89Å; K391-L434 HydrophobicContact CB-CB 4.05Å; K391-L434 WeakPolarHBondContact CD-O 3.41Å; K391-L434 WeakPolarHBondContact O-CD1 3.41Å
392	G	97.5	Very high	97.8	Very high	4 Å²	4	56.3 Å²	56.3	4%	0.041	29%	0.291	C	S	.	.	H	α-helix	trans	-92.6	-20.7	-174.1	0	0	0	0	0	115	S377 F378 L388	S377-G392 CarbonylContact C-O 3.48Å; S377-G392 WeakPolarHBondContact CA-O 3.42Å; S377-G392 WeakPolarHBondContact CB-O 3.42Å; F378-G392 PolarHBondContact N-O 3.35Å; L388-G392 VanDerWaalsContact O-CA 3.25Å; L388-G392 WeakPolarHBondContact O-CA 3.26Å; L388-G392 PolarHBondContact O-N 2.85Å
393	A	98.1	Very high	97.7	Very high	17 Å²	17	62.4 Å²	62.4	14%	0.14	32%	0.317	C	S	.	.	S	Bend	trans	-78	155.1	176.6	0	0	0	0	0	111.7	S389 R395 V399	S389-A393 WeakPolarHBondContact O-CB 3.45Å; S389-A393 PolarHBondContact O-N 3.39Å; A393-R395 PolarHBondContact O-N 3.27Å; A393-V399 HydrophobicContact CB-CG1 3.67Å
394	Y	97.8	Very high	97.6	Very high	108 Å²	108	58.8 Å²	58.8	42%	0.424	30%	0.298	S	S	.	.	S	Bend	trans	-59.1	-32.3	176.6	-72.2	-64.2	0	0	0	113.6	S344 R345 F347 Q376 S377	S344-Y394 WeakPolarHBondContact O-CE2 3.36Å; S344-Y394 PolarHBondContact O-OH 3.11Å; S344-Y394 VanDerWaalsContact O-OH 3.11Å; R345-Y394 PolarHBondContact O-OH 2.95Å; F347-Y394 HydrophobicContact CB-CD2 4.33Å; Q376-Y394 WeakPolarHBondContact CB-OH 3.12Å; S377-Y394 WeakPolarHBondContact OG-CE2 3.5Å
395	R	96.7	Very high	97.6	Very high	140 Å²	140	55.1 Å²	55.1	53%	0.528	28%	0.276	S	S	.	.	S	Bend	trans	-161.2	154.9	-179.7	-162.8	171.8	61.2	164.5	7.3	109.3	A393 D397 L398	A393-R395 PolarHBondContact O-N 3.27Å; R395-D397 WeakPolarHBondContact CG-OD1 3.18Å; R395-D397 IonicContact CZ-OD1 3.76Å; R395-D397 IonicContact CZ-OD2 3.87Å; R395-D397 IonicContact NE-OD1 2.85Å; R395-D397 PolarHBondContact NE-OD1 2.88Å; R395-D397 IonicContact NE-OD2 3.52Å; R395-D397 IonicContact NH2-OD1 2.99Å; R395-D397 PolarHBondContact NH2-OD1 2.92Å; R395-D397 IonicContact NH2-OD2 3.4Å; R395-D397 PolarHBondContact NH2-OD2 2.9Å; R395-D397 PolarHBondContact O-N 3.13Å; R395-D397 VanDerWaalsContact O-N 3.11Å; R395-L398 HydrophobicContact CB-CB 4.35Å; R395-L398 HydrophobicContact CB-CD1 3.92Å; R395-L398 HydrophobicContact CB-CG 3.97Å; R395-L398 PolarHBondContact O-N 2.81Å
396	E	95.2	Very high	97.5	Very high	173 Å²	173	59.1 Å²	59.1	81%	0.808	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-30.2	-175.4	-64.4	179.2	177	0	0	114.9
397	D	95.1	Very high	97.4	Very high	84 Å²	84	56.6 Å²	56.6	45%	0.449	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-1.5	179.6	68.8	-28.1	0	0	0	113.8	R395 V399	R395-D397 WeakPolarHBondContact CG-OD1 3.18Å; R395-D397 IonicContact CZ-OD1 3.76Å; R395-D397 IonicContact CZ-OD2 3.87Å; R395-D397 IonicContact NE-OD1 2.85Å; R395-D397 PolarHBondContact NE-OD1 2.88Å; R395-D397 IonicContact NE-OD2 3.52Å; R395-D397 IonicContact NH2-OD1 2.99Å; R395-D397 PolarHBondContact NH2-OD1 2.92Å; R395-D397 IonicContact NH2-OD2 3.4Å; R395-D397 PolarHBondContact NH2-OD2 2.9Å; R395-D397 PolarHBondContact O-N 3.13Å; R395-D397 VanDerWaalsContact O-N 3.11Å; D397-V399 VanDerWaalsContact C-N 3.31Å; D397-V399 PolarHBondContact O-N 3.15Å
398	L	97.6	Very high	97.3	Very high	44 Å²	44	53.5 Å²	53.5	23%	0.23	26%	0.261	C	S	.	.	S	Bend	trans	-98.5	58.8	176	-60.2	-178.1	0	0	0	109.6	F347 R395	F347-L398 HydrophobicContact CB-CB 4.47Å; F347-L398 HydrophobicContact CD1-CB 4.13Å; F347-L398 HydrophobicContact CD1-CD2 3.71Å; F347-L398 HydrophobicContact CD1-CG 4.38Å; F347-L398 HydrophobicContact CD2-CB 4.03Å; F347-L398 WeakPolarHBondContact CD2-O 2.96Å; F347-L398 HydrophobicContact CE1-CB 4.34Å; F347-L398 HydrophobicContact CE1-CD2 3.85Å; F347-L398 HydrophobicContact CE2-CB 4.26Å; F347-L398 WeakPolarHBondContact CE2-O 3.36Å; F347-L398 HydrophobicContact CG-CB 3.94Å; F347-L398 HydrophobicContact CG-CD2 4.34Å; F347-L398 HydrophobicContact CZ-CB 4.4Å; R395-L398 HydrophobicContact CB-CB 4.35Å; R395-L398 HydrophobicContact CB-CD1 3.92Å; R395-L398 HydrophobicContact CB-CG 3.97Å; R395-L398 PolarHBondContact O-N 2.81Å
399	V	98.5	Very high	97.2	Very high	17 Å²	17	54.1 Å²	54.1	10%	0.103	27%	0.265	C	S	.	.	S	Bend	trans	-131.7	158.3	-177.1	-62	0	0	0	0	111	P379 Q381 A393 D397 T401	P379-V399 CarbonylContact O-C 3.47Å; P379-V399 WeakPolarHBondContact O-CA 3.48Å; P379-V399 WeakPolarHBondContact O-CB 3.41Å; Q381-V399 HydrophobicContact CB-CB 4.34Å; Q381-V399 HydrophobicContact CB-CG2 4.49Å; A393-V399 HydrophobicContact CB-CG1 3.67Å; D397-V399 VanDerWaalsContact C-N 3.31Å; D397-V399 PolarHBondContact O-N 3.15Å; V399-T401 HydrophobicContact CG2-CG2 4.34Å
400	Y	98.5	Very high	97.1	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.008	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-104.2	105.4	170.7	-55.4	-64.8	0	0	0	109.2	T343 F347 I348 I353 W370 I372 P379 Q381	T343-Y400 VanDerWaalsContact CB-OH 3.24Å; T343-Y400 WeakPolarHBondContact CB-OH 3.48Å; F347-Y400 HydrophobicContact CD2-CE2 4.26Å; F347-Y400 AromaticContact CD2-CZ 3.98Å; F347-Y400 HydrophobicContact CE2-CD1 4.24Å; F347-Y400 HydrophobicContact CE2-CD2 4.37Å; F347-Y400 AromaticContact CE2-CE1 3.67Å; F347-Y400 HydrophobicContact CE2-CE1 3.67Å; F347-Y400 AromaticContact CE2-CE2 3.83Å; F347-Y400 HydrophobicContact CE2-CE2 3.83Å; F347-Y400 AromaticContact CE2-CZ 3.44Å; F347-Y400 VanDerWaalsContact CE2-CZ 3.44Å; F347-Y400 HydrophobicContact CZ-CD1 4.37Å; F347-Y400 AromaticContact CZ-CE1 3.78Å; F347-Y400 HydrophobicContact CZ-CE1 3.78Å; F347-Y400 AromaticContact CZ-CZ 3.98Å; I348-Y400 WeakPolarHBondContact O-CE1 3.49Å; I348-Y400 PolarHBondContact O-OH 2.99Å; I353-Y400 HydrophobicContact CD1-CE1 3.96Å; W370-Y400 AromaticContact CH2-CD1 3.95Å; W370-Y400 HydrophobicContact CH2-CD1 3.95Å; W370-Y400 HydrophobicContact CH2-CD2 4.27Å; W370-Y400 HydrophobicContact CH2-CE1 4.37Å; W370-Y400 AromaticContact CH2-CG 3.89Å; W370-Y400 HydrophobicContact CH2-CG 3.89Å; W370-Y400 AromaticContact CZ2-CD1 3.68Å; W370-Y400 HydrophobicContact CZ2-CD1 3.68Å; W370-Y400 AromaticContact CZ2-CD2 3.61Å; W370-Y400 HydrophobicContact CZ2-CD2 3.61Å; W370-Y400 AromaticContact CZ2-CE1 3.72Å; W370-Y400 HydrophobicContact CZ2-CE1 3.72Å; W370-Y400 AromaticContact CZ2-CE2 3.64Å; W370-Y400 HydrophobicContact CZ2-CE2 3.64Å; W370-Y400 AromaticContact CZ2-CG 3.62Å; W370-Y400 HydrophobicContact CZ2-CG 3.62Å; W370-Y400 AromaticContact CZ2-CZ 3.69Å; I372-Y400 HydrophobicContact CG2-CD2 3.96Å; I372-Y400 HydrophobicContact CG2-CE2 4.31Å; P379-Y400 HydrophobicContact CB-CD2 3.9Å; P379-Y400 HydrophobicContact CB-CE2 3.88Å; P379-Y400 HydrophobicContact CG-CD2 4.02Å; P379-Y400 HydrophobicContact CG-CE2 3.78Å; P379-Y400 PolarHBondContact O-N 2.68Å; Q381-Y400 PolarHBondContact N-O 3.33Å
401	T	98.1	Very high	97	Very high	36 Å²	36	51.8 Å²	51.8	22%	0.221	24%	0.242	C	C	.	.			trans	-73.9	160.1	177.8	69.4	0	0	0	0	111.4	Q381 V399 K403 D404 I405	Q381-T401 VanDerWaalsContact OE1-CG2 3.24Å; V399-T401 HydrophobicContact CG2-CG2 4.34Å; T401-K403 CarbonylContact O-C 3.52Å; T401-K403 PolarHBondContact O-N 3.38Å; T401-K403 PolarHBondContact OG1-N 2.99Å; T401-D404 WeakPolarHBondContact CB-OD2 3.41Å; T401-D404 WeakPolarHBondContact CG2-OD2 3.42Å; T401-D404 PolarHBondContact N-OD2 3.12Å; T401-D404 VanDerWaalsContact N-OD2 3.11Å; T401-D404 PolarHBondContact O-N 3.04Å; T401-D404 VanDerWaalsContact OG1-CG 3.28Å; T401-D404 PolarHBondContact OG1-N 2.64Å; T401-D404 VanDerWaalsContact OG1-N 3.13Å; T401-D404 PolarHBondContact OG1-OD2 3.47Å; T401-I405 WeakPolarHBondContact O-CG1 3.31Å; T401-I405 PolarHBondContact O-N 3.33Å
402	S	97.6	Very high	96.9	Very high	15 Å²	15	46.2 Å²	46.2	11%	0.105	22%	0.217	C	C	.	.	H	α-helix	trans	-49.6	-31.7	168.7	-78	0	0	0	0	112.7	D383 K406	D383-S402 PolarHBondContact OD2-OG 2.84Å; S402-K406 WeakPolarHBondContact O-CD 3.28Å; S402-K406 VanDerWaalsContact O-CG 3.26Å; S402-K406 WeakPolarHBondContact O-CG 3.5Å; S402-K406 PolarHBondContact O-N 3.41Å
403	K	96.2	Very high	96.9	Very high	130 Å²	130	46.9 Å²	46.9	57%	0.565	22%	0.219	S	C	*	.	H	α-helix	trans	-68.1	-55.1	173.3	-178	-179.5	174.7	-176.4	0	110.7	T401 I405 K406 E407	T401-K403 CarbonylContact O-C 3.52Å; T401-K403 PolarHBondContact O-N 3.38Å; T401-K403 PolarHBondContact OG1-N 2.99Å; K403-I405 VanDerWaalsContact C-N 3.27Å; K403-I405 PolarHBondContact O-N 3.35Å; K403-K406 WeakPolarHBondContact O-CB 3.44Å; K403-K406 PolarHBondContact O-N 3.03Å; K403-K406 VanDerWaalsContact O-N 3.12Å; K403-E407 WeakPolarHBondContact CE-OE1 3.5Å; K403-E407 HydrophobicContact CG-CG 4.21Å; K403-E407 WeakPolarHBondContact O-CG 3.38Å; K403-E407 PolarHBondContact O-N 2.85Å
404	D	96.1	Very high	96.8	Very high	29 Å²	29	46.2 Å²	46.2	16%	0.155	21%	0.212	C	C	.	.	H	α-helix	trans	-54.5	-43.2	-177.7	-64.3	-53.1	0	0	0	112.5	K350 T401 E407 I408	K350-D404 HydrophobicContact CD-CB 4.24Å; K350-D404 IonicContact NZ-OD1 3.65Å; K350-D404 PolarHBondContact NZ-OD1 2.8Å; T401-D404 WeakPolarHBondContact CB-OD2 3.41Å; T401-D404 WeakPolarHBondContact CG2-OD2 3.42Å; T401-D404 PolarHBondContact N-OD2 3.12Å; T401-D404 VanDerWaalsContact N-OD2 3.11Å; T401-D404 PolarHBondContact O-N 3.04Å; T401-D404 VanDerWaalsContact OG1-CG 3.28Å; T401-D404 PolarHBondContact OG1-N 2.64Å; T401-D404 VanDerWaalsContact OG1-N 3.13Å; T401-D404 PolarHBondContact OG1-OD2 3.47Å; D404-E407 PolarHBondContact O-N 2.97Å; D404-I408 WeakPolarHBondContact O-CG1 3.49Å; D404-I408 PolarHBondContact O-N 2.98Å
405	I	98	Very high	96.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63	-47.2	179	-64.1	169.5	0	0	0	110.6	W370 Y380 T401 K403 E407 I408 V409 L477 F478	W370-I405 HydrophobicContact CH2-CG1 4.22Å; W370-I405 HydrophobicContact CZ3-CG1 4.29Å; Y380-I405 HydrophobicContact CD2-CD1 3.5Å; Y380-I405 HydrophobicContact CE2-CD1 3.34Å; T401-I405 WeakPolarHBondContact O-CG1 3.31Å; T401-I405 PolarHBondContact O-N 3.33Å; K403-I405 VanDerWaalsContact C-N 3.27Å; K403-I405 PolarHBondContact O-N 3.35Å; I405-E407 VanDerWaalsContact C-N 3.27Å; I405-E407 PolarHBondContact O-N 3.25Å; I405-I408 PolarHBondContact O-N 3.04Å; I405-V409 HydrophobicContact CG2-CG2 4.25Å; I405-V409 WeakPolarHBondContact O-CB 3.42Å; I405-V409 VanDerWaalsContact O-CG2 3.29Å; I405-V409 WeakPolarHBondContact O-CG2 3.37Å; I405-V409 PolarHBondContact O-N 3.38Å; I405-L477 HydrophobicContact CD1-CD1 4.06Å; I405-L477 HydrophobicContact CG2-CB 3.97Å; I405-F478 HydrophobicContact CD1-CE2 4.31Å; I405-F478 HydrophobicContact CD1-CZ 4.27Å; I405-F478 HydrophobicContact CG1-CZ 4.37Å; I405-F478 HydrophobicContact CG2-CD1 4.34Å; I405-F478 HydrophobicContact CG2-CD2 4.34Å; I405-F478 HydrophobicContact CG2-CE1 3.78Å; I405-F478 HydrophobicContact CG2-CE2 3.8Å; I405-F478 HydrophobicContact CG2-CZ 3.47Å; I405-F478 VanDerWaalsContact CG2-CZ 3.47Å
406	K	96.8	Very high	96.8	Very high	115 Å²	115	34.4 Å²	34.4	50%	0.5	17%	0.167	S	C	.	.	H	α-helix	trans	-59.7	-39	175.3	-72.8	172	-175.8	173.9	0	111.7	S402 K403 E410 L477	S402-K406 WeakPolarHBondContact O-CD 3.28Å; S402-K406 VanDerWaalsContact O-CG 3.26Å; S402-K406 WeakPolarHBondContact O-CG 3.5Å; S402-K406 PolarHBondContact O-N 3.41Å; K403-K406 WeakPolarHBondContact O-CB 3.44Å; K403-K406 PolarHBondContact O-N 3.03Å; K403-K406 VanDerWaalsContact O-N 3.12Å; K406-E410 VanDerWaalsContact O-CB 3.29Å; K406-E410 WeakPolarHBondContact O-CB 3.33Å; K406-E410 PolarHBondContact O-N 3.5Å; K406-L477 HydrophobicContact CD-CD2 4.47Å; K406-L477 VanDerWaalsContact CE-CD2 3.47Å; K406-L477 HydrophobicContact CG-CD2 4.32Å
407	E	95.3	Very high	96.9	Very high	13 Å²	13	26.3 Å²	26.3	6%	0.061	13%	0.129	C	C	.	.	H	α-helix	trans	-66.1	-42.4	177.2	-37	-160	149.5	0	0	112	K350 K403 D404 I405 F411 H705 M709	K350-E407 IonicContact NZ-OE2 3.27Å; K350-E407 PolarHBondContact NZ-OE2 3.17Å; K403-E407 WeakPolarHBondContact CE-OE1 3.5Å; K403-E407 HydrophobicContact CG-CG 4.21Å; K403-E407 WeakPolarHBondContact O-CG 3.38Å; K403-E407 PolarHBondContact O-N 2.85Å; D404-E407 PolarHBondContact O-N 2.97Å; I405-E407 VanDerWaalsContact C-N 3.27Å; I405-E407 PolarHBondContact O-N 3.25Å; E407-F411 VanDerWaalsContact O-CB 3.26Å; E407-F411 WeakPolarHBondContact O-CB 3.07Å; E407-F411 PolarHBondContact O-N 3.42Å; E407-H705 VanDerWaalsContact CB-CE1 3.44Å; E407-H705 WeakPolarHBondContact CB-CE1 2.9Å; E407-H705 IonicContact OE2-CD2 3.33Å; E407-H705 IonicContact OE2-CE1 3.59Å; E407-H705 IonicContact OE2-NE2 3.32Å; E407-H705 PolarHBondContact OE2-NE2 2.98Å; E407-M709 HydrophobicContact CB-CE 3.98Å; E407-M709 HydrophobicContact CB-SD 3.51Å; E407-M709 VanDerWaalsContact CB-SD 3.51Å; E407-M709 HydrophobicContact CG-CE 3.39Å; E407-M709 HydrophobicContact CG-SD 3.61Å; E407-M709 VanDerWaalsContact OE1-CE 3.25Å; E407-M709 WeakPolarHBondContact OE1-CE 3.3Å
408	I	96.3	Very high	97.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.4	-47.7	178.1	-70.5	164.8	0	0	0	110.9	K350 I353 L354 L357 L368 W370 D404 I405 E410 F411 A412	K350-I408 HydrophobicContact CB-CD1 4.49Å; K350-I408 HydrophobicContact CD-CD1 4.5Å; K350-I408 HydrophobicContact CD-CG1 4.29Å; K350-I408 HydrophobicContact CG-CD1 4.05Å; K350-I408 HydrophobicContact CG-CG1 3.95Å; I353-I408 HydrophobicContact CD1-CD1 4.07Å; I353-I408 HydrophobicContact CG2-CD1 4.29Å; I353-I408 HydrophobicContact CG2-CG1 4.42Å; I353-I408 HydrophobicContact CG2-CG2 3.94Å; L354-I408 HydrophobicContact CD2-CG1 4.24Å; L357-I408 HydrophobicContact CD1-CG2 4.18Å; L368-I408 HydrophobicContact CD2-CG2 4.48Å; W370-I408 HydrophobicContact CE3-CG2 4.5Å; W370-I408 HydrophobicContact CH2-CD1 3.45Å; W370-I408 VanDerWaalsContact CH2-CD1 3.45Å; W370-I408 HydrophobicContact CZ2-CD1 4.25Å; W370-I408 HydrophobicContact CZ3-CB 4.46Å; W370-I408 HydrophobicContact CZ3-CD1 3.79Å; W370-I408 HydrophobicContact CZ3-CG2 4.13Å; D404-I408 WeakPolarHBondContact O-CG1 3.49Å; D404-I408 PolarHBondContact O-N 2.98Å; I405-I408 PolarHBondContact O-N 3.04Å; I408-E410 VanDerWaalsContact C-N 3.33Å; I408-E410 PolarHBondContact O-N 2.95Å; I408-F411 PolarHBondContact O-N 2.94Å; I408-A412 WeakPolarHBondContact O-CB 3.32Å; I408-A412 PolarHBondContact O-N 2.94Å
409	V	97.5	Very high	97.2	Very high	14 Å²	14	20.8 Å²	20.8	9%	0.085	10%	0.1	C	C	.	.	H	α-helix	trans	-59.8	-44.6	178.1	170.6	0	0	0	0	110.7	I405 A412 R413 V419 F478 L479	I405-V409 HydrophobicContact CG2-CG2 4.25Å; I405-V409 WeakPolarHBondContact O-CB 3.42Å; I405-V409 VanDerWaalsContact O-CG2 3.29Å; I405-V409 WeakPolarHBondContact O-CG2 3.37Å; I405-V409 PolarHBondContact O-N 3.38Å; V409-A412 PolarHBondContact O-N 3.02Å; V409-R413 WeakPolarHBondContact O-CB 3.49Å; V409-R413 PolarHBondContact O-N 3.09Å; V409-V419 HydrophobicContact CG2-CB 4.21Å; V409-V419 HydrophobicContact CG2-CG1 4.38Å; V409-V419 HydrophobicContact CG2-CG2 4.45Å; V409-F478 HydrophobicContact CG2-CD1 4.13Å; V409-F478 HydrophobicContact CG2-CE1 4.44Å; V409-L479 HydrophobicContact CG1-CD1 4.1Å; V409-L479 HydrophobicContact CG1-CG 4.18Å
410	E	95.9	Very high	97.2	Very high	29 Å²	29	20 Å²	20	14%	0.136	10%	0.095	C	C	.	.	H	α-helix	trans	-66.6	-45.2	177.9	-174	74.5	164.9	0	0	111.6	K406 I408 A412 R413 F414 I708 M712	K406-E410 VanDerWaalsContact O-CB 3.29Å; K406-E410 WeakPolarHBondContact O-CB 3.33Å; K406-E410 PolarHBondContact O-N 3.5Å; I408-E410 VanDerWaalsContact C-N 3.33Å; I408-E410 PolarHBondContact O-N 2.95Å; E410-A412 VanDerWaalsContact C-N 3.29Å; E410-A412 PolarHBondContact O-N 3.02Å; E410-R413 WeakPolarHBondContact O-CB 3.47Å; E410-R413 PolarHBondContact O-N 2.95Å; E410-R413 VanDerWaalsContact O-N 3.12Å; E410-R413 IonicContact OE1-CZ 3.69Å; E410-R413 IonicContact OE1-NE 3.67Å; E410-R413 IonicContact OE1-NH2 3.42Å; E410-R413 PolarHBondContact OE1-NH2 3.2Å; E410-R413 IonicContact OE2-CZ 3.35Å; E410-R413 IonicContact OE2-NE 3.03Å; E410-R413 PolarHBondContact OE2-NE 3.25Å; E410-R413 IonicContact OE2-NH2 2.97Å; E410-F414 HydrophobicContact CG-CD2 4.05Å; E410-F414 HydrophobicContact CG-CE2 3.88Å; E410-F414 WeakPolarHBondContact O-CD2 3.27Å; E410-F414 PolarHBondContact O-N 3.03Å; E410-F414 VanDerWaalsContact O-N 3.12Å; E410-F414 WeakPolarHBondContact OE1-CE2 3.38Å; E410-I708 HydrophobicContact CG-CG2 3.52Å; E410-M712 HydrophobicContact CB-CE 3.59Å; E410-M712 HydrophobicContact CB-SD 3.77Å; E410-M712 HydrophobicContact CG-CE 3.63Å; E410-M712 HydrophobicContact CG-CG 4.16Å; E410-M712 HydrophobicContact CG-SD 3.56Å; E410-M712 VanDerWaalsContact CG-SD 3.56Å
411	F	95.2	Very high	97.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-57.9	-44.8	177.5	-170.6	-91.8	0	0	0	111.1	L354 L357 E358 E407 I408 R413 F414 R415 V701 H705 I708	L354-F411 HydrophobicContact CB-CD1 4.45Å; L354-F411 HydrophobicContact CB-CE1 4.17Å; L354-F411 HydrophobicContact CB-CZ 4.43Å; L354-F411 HydrophobicContact CD2-CB 3.81Å; L354-F411 HydrophobicContact CD2-CD1 3.64Å; L354-F411 HydrophobicContact CD2-CD2 4.26Å; L354-F411 HydrophobicContact CD2-CE1 4.21Å; L354-F411 HydrophobicContact CD2-CG 3.65Å; L357-F411 HydrophobicContact CB-CD1 3.98Å; L357-F411 HydrophobicContact CB-CE1 3.98Å; L357-F411 HydrophobicContact CD1-CD1 3.82Å; E358-F411 HydrophobicContact CG-CE1 4.28Å; E358-F411 HydrophobicContact CG-CZ 4.12Å; E358-F411 WeakPolarHBondContact OE1-CZ 3.48Å; E407-F411 VanDerWaalsContact O-CB 3.26Å; E407-F411 WeakPolarHBondContact O-CB 3.07Å; E407-F411 PolarHBondContact O-N 3.42Å; I408-F411 PolarHBondContact O-N 2.94Å; F411-R413 PolarHBondContact O-N 2.85Å; F411-F414 PolarHBondContact O-N 2.97Å; F411-R415 VanDerWaalsContact CZ-CZ 3.47Å; F411-R415 VanDerWaalsContact CZ-NE 3.32Å; F411-R415 WeakPolarHBondContact O-CD 3.43Å; F411-V701 HydrophobicContact CE2-CG1 4.3Å; F411-V701 HydrophobicContact CZ-CG1 3.89Å; F411-H705 HydrophobicContact CD2-CB 4.28Å; F411-H705 AromaticContact CD2-ND1 3.65Å; F411-H705 HydrophobicContact CE2-CB 4.28Å; F411-I708 HydrophobicContact CD2-CD1 4.22Å
412	A	97.5	Very high	97.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.1	-42.1	174.8	0	0	0	0	0	112.5	L357 I408 V409 E410 F414 R415 G416 I417 V419	L357-A412 HydrophobicContact CD1-CB 3.95Å; L357-A412 HydrophobicContact CD2-CB 3.82Å; I408-A412 WeakPolarHBondContact O-CB 3.32Å; I408-A412 PolarHBondContact O-N 2.94Å; V409-A412 PolarHBondContact O-N 3.02Å; E410-A412 VanDerWaalsContact C-N 3.29Å; E410-A412 PolarHBondContact O-N 3.02Å; A412-F414 VanDerWaalsContact C-N 3.3Å; A412-F414 PolarHBondContact O-N 3.29Å; A412-R415 CarbonylContact O-C 3.17Å; A412-R415 WeakPolarHBondContact O-CA 3.45Å; A412-R415 PolarHBondContact O-N 2.94Å; A412-G416 PolarHBondContact O-N 2.89Å; A412-G416 VanDerWaalsContact O-N 3.13Å; A412-I417 CarbonylContact C-O 3.59Å; A412-I417 HydrophobicContact CB-CB 4.09Å; A412-I417 HydrophobicContact CB-CG2 4.33Å; A412-I417 WeakPolarHBondContact CB-O 3.32Å; A412-I417 PolarHBondContact O-N 3.36Å; A412-V419 HydrophobicContact CB-CG2 3.36Å
413	R	97	Very high	97.3	Very high	19 Å²	19	17.8 Å²	17.8	7%	0.072	8%	0.081	C	C	.	.	H	α-helix	trans	-55.3	-43.3	175.7	-172.9	-176.1	73.7	92.2	-4.3	112	E137 K272 L273 V409 E410 F411 R415 G416	E137-R413 IonicContact OE1-CZ 3.12Å; E137-R413 IonicContact OE1-NH1 2.8Å; E137-R413 PolarHBondContact OE1-NH1 2.77Å; E137-R413 IonicContact OE1-NH2 3.33Å; E137-R413 PolarHBondContact OE1-NH2 3.33Å; K272-R413 WeakPolarHBondContact O-CD 3.31Å; K272-R413 PolarHBondContact O-NH1 3.06Å; L273-R413 HydrophobicContact CD2-CG 4.12Å; V409-R413 WeakPolarHBondContact O-CB 3.49Å; V409-R413 PolarHBondContact O-N 3.09Å; E410-R413 WeakPolarHBondContact O-CB 3.47Å; E410-R413 PolarHBondContact O-N 2.95Å; E410-R413 VanDerWaalsContact O-N 3.12Å; E410-R413 IonicContact OE1-CZ 3.69Å; E410-R413 IonicContact OE1-NE 3.67Å; E410-R413 IonicContact OE1-NH2 3.42Å; E410-R413 PolarHBondContact OE1-NH2 3.2Å; E410-R413 IonicContact OE2-CZ 3.35Å; E410-R413 IonicContact OE2-NE 3.03Å; E410-R413 PolarHBondContact OE2-NE 3.25Å; E410-R413 IonicContact OE2-NH2 2.97Å; F411-R413 PolarHBondContact O-N 2.85Å; R413-R415 PolarHBondContact O-N 2.79Å; R413-G416 PolarHBondContact O-N 2.97Å
414	F	95.6	Very high	97.4	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.009	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-10.8	176.3	-83.2	-83.4	0	0	0	114.7	E137 I138 S141 E410 F411 A412 I708	E137-F414 HydrophobicContact CB-CE1 4.39Å; E137-F414 HydrophobicContact CG-CE1 4.2Å; E137-F414 HydrophobicContact CG-CZ 4.17Å; E137-F414 WeakPolarHBondContact O-CE1 3.41Å; I138-F414 HydrophobicContact CB-CD1 4.41Å; I138-F414 HydrophobicContact CG1-CD1 4.28Å; I138-F414 HydrophobicContact CG1-CE1 4.34Å; S141-F414 VanDerWaalsContact CB-CD1 3.49Å; E410-F414 HydrophobicContact CG-CD2 4.05Å; E410-F414 HydrophobicContact CG-CE2 3.88Å; E410-F414 WeakPolarHBondContact O-CD2 3.27Å; E410-F414 PolarHBondContact O-N 3.03Å; E410-F414 VanDerWaalsContact O-N 3.12Å; E410-F414 WeakPolarHBondContact OE1-CE2 3.38Å; F411-F414 PolarHBondContact O-N 2.97Å; A412-F414 VanDerWaalsContact C-N 3.3Å; A412-F414 PolarHBondContact O-N 3.29Å; F414-I708 HydrophobicContact CB-CD1 4.11Å; F414-I708 HydrophobicContact CD2-CD1 3.84Å; F414-I708 HydrophobicContact CD2-CG1 4.04Å; F414-I708 HydrophobicContact CD2-CG2 3.79Å; F414-I708 HydrophobicContact CE2-CB 4.45Å; F414-I708 HydrophobicContact CE2-CD1 4.44Å; F414-I708 HydrophobicContact CE2-CG1 4.13Å; F414-I708 HydrophobicContact CE2-CG2 3.6Å; F414-I708 HydrophobicContact CG-CD1 3.93Å; F414-I708 HydrophobicContact CG-CG1 4.36Å
415	R	96.7	Very high	97.5	Very high	1 Å²	1	10.5 Å²	10.5	0%	0.004	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	0.3	170.9	-75.1	87.4	-173.5	112.3	7.1	112.6	R145 R303 E358 F411 A412 R413 I417 E704	R145-R415 VanDerWaalsContact NH1-NH1 3.18Å; R303-R415 PolarHBondContact NH1-O 3.48Å; E358-R415 IonicContact OE1-CZ 3.57Å; E358-R415 IonicContact OE1-NE 3.53Å; E358-R415 PolarHBondContact OE1-NE 3.18Å; E358-R415 IonicContact OE1-NH2 3.42Å; E358-R415 PolarHBondContact OE1-NH2 3.47Å; F411-R415 VanDerWaalsContact CZ-CZ 3.47Å; F411-R415 VanDerWaalsContact CZ-NE 3.32Å; F411-R415 WeakPolarHBondContact O-CD 3.43Å; A412-R415 CarbonylContact O-C 3.17Å; A412-R415 WeakPolarHBondContact O-CA 3.45Å; A412-R415 PolarHBondContact O-N 2.94Å; R413-R415 PolarHBondContact O-N 2.79Å; R415-I417 VanDerWaalsContact C-N 3.32Å; R415-I417 HydrophobicContact CB-CD1 3.73Å; R415-I417 HydrophobicContact CB-CG1 3.97Å; R415-E704 IonicContact CZ-OE1 3.97Å; R415-E704 IonicContact CZ-OE2 2.75Å; R415-E704 IonicContact NH1-OE1 2.75Å; R415-E704 PolarHBondContact NH1-OE1 3.4Å; R415-E704 IonicContact NH2-OE1 2.73Å; R415-E704 PolarHBondContact NH2-OE1 2.98Å; R415-E704 VanDerWaalsContact NH2-OE1 3.12Å; R415-E704 IonicContact NH2-OE2 3.81Å; R415-E704 PolarHBondContact NH2-OE2 3.44Å
416	G	97.5	Very high	97.5	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	41.5	-173	0	0	0	0	0	111.8	R303 A412 R413	R303-G416 PolarHBondContact NH2-O 2.93Å; A412-G416 PolarHBondContact O-N 2.89Å; A412-G416 VanDerWaalsContact O-N 3.13Å; R413-G416 PolarHBondContact O-N 2.97Å
417	I	98.7	Very high	97.4	Very high	2 Å²	2	5.3 Å²	5.3	1%	0.01	3%	0.027	C	C	.	.			trans	-114.8	128	178.1	-61.5	170.7	0	0	0	108.1	P274 L357 M360 N366 L368 A412 R415	P274-I417 WeakPolarHBondContact CG-O 3.29Å; L357-I417 HydrophobicContact CB-CD1 4.44Å; L357-I417 HydrophobicContact CD2-CB 4.26Å; L357-I417 HydrophobicContact CD2-CD1 3.89Å; L357-I417 HydrophobicContact CD2-CG2 3.75Å; L357-I417 VanDerWaalsContact O-CD1 3.31Å; L357-I417 WeakPolarHBondContact O-CD1 3.43Å; M360-I417 HydrophobicContact CB-CD1 3.69Å; M360-I417 HydrophobicContact CE-CD1 4.38Å; M360-I417 HydrophobicContact CE-CG2 3.82Å; N366-I417 WeakPolarHBondContact O-CA 3.14Å; L368-I417 HydrophobicContact CB-CG2 4.15Å; A412-I417 CarbonylContact C-O 3.59Å; A412-I417 HydrophobicContact CB-CB 4.09Å; A412-I417 HydrophobicContact CB-CG2 4.33Å; A412-I417 WeakPolarHBondContact CB-O 3.32Å; A412-I417 PolarHBondContact O-N 3.36Å; R415-I417 VanDerWaalsContact C-N 3.32Å; R415-I417 HydrophobicContact CB-CD1 3.73Å; R415-I417 HydrophobicContact CB-CG1 3.97Å
418	R	98.7	Very high	97.5	Very high	4 Å²	4	6 Å²	6	2%	0.015	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	137.7	172.4	-63.9	164.5	63.7	-145.4	-7.1	108.8	P274 H336 N366 V367 L368 D480	P274-R418 HydrophobicContact CB-CG 3.9Å; P274-R418 HydrophobicContact CG-CG 4.08Å; H336-R418 PolarHBondContact ND1-NH1 3.36Å; N366-R418 WeakPolarHBondContact O-CB 3.31Å; N366-R418 PolarHBondContact O-N 3.33Å; V367-R418 CarbonylContact C-O 3.49Å; V367-R418 WeakPolarHBondContact CA-O 3.43Å; V367-R418 HydrophobicContact CG2-CB 4.22Å; L368-R418 PolarHBondContact N-O 3.26Å; R418-D480 VanDerWaalsContact CB-OD2 3.31Å; R418-D480 WeakPolarHBondContact CB-OD2 3.39Å; R418-D480 WeakPolarHBondContact CG-OD2 3.28Å; R418-D480 IonicContact CZ-OD1 3.27Å; R418-D480 IonicContact CZ-OD2 2.88Å; R418-D480 IonicContact NE-OD1 2.83Å; R418-D480 IonicContact NE-OD2 2.77Å; R418-D480 PolarHBondContact NE-OD2 2.88Å; R418-D480 IonicContact NH2-OD1 2.81Å; R418-D480 PolarHBondContact NH2-OD1 3.36Å; R418-D480 IonicContact NH2-OD2 3.88Å; R418-D480 PolarHBondContact NH2-OD2 2.97Å
419	V	98.8	Very high	97.5	Very high	8 Å²	8	6.2 Å²	6.2	5%	0.048	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	112.2	174	-176.4	0	0	0	0	107.9	L368 W370 V409 A412 F478	L368-V419 HydrophobicContact CB-CG2 4.46Å; L368-V419 HydrophobicContact CD2-CG1 4.3Å; L368-V419 HydrophobicContact CD2-CG2 4.43Å; L368-V419 WeakPolarHBondContact O-CA 3.39Å; W370-V419 HydrophobicContact CE3-CG1 4.19Å; V409-V419 HydrophobicContact CG2-CB 4.21Å; V409-V419 HydrophobicContact CG2-CG1 4.38Å; V409-V419 HydrophobicContact CG2-CG2 4.45Å; A412-V419 HydrophobicContact CB-CG2 3.36Å; V419-F478 HydrophobicContact CG1-CD1 4Å; V419-F478 HydrophobicContact CG1-CE1 3.91Å
420	I	98.8	Very high	97.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	112.5	-179.7	-57.3	178.4	0	0	0	107	V367 L368 H369 W370 D480 I543	V367-I420 HydrophobicContact CG1-CD1 3.69Å; V367-I420 HydrophobicContact CG1-CG1 4.12Å; L368-I420 PolarHBondContact O-N 3.13Å; H369-I420 WeakPolarHBondContact CA-O 3.49Å; W370-I420 PolarHBondContact N-O 3.31Å; I420-D480 HydrophobicContact CG1-CB 4.17Å; I420-I543 HydrophobicContact CD1-CD1 3.99Å; I420-I543 HydrophobicContact CG2-CD1 4.1Å
421	P	98.7	Very high	97.4	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.006	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	150.2	176.4	33.5	-35.9	0	0	0	110.7	W370 I372 F423 V474 F478 V483 H484	W370-P421 CarbonylContact O-C 3.51Å; I372-P421 HydrophobicContact CD1-CB 3.85Å; P421-F423 HydrophobicContact CB-CD2 4.19Å; P421-F423 HydrophobicContact CB-CE2 3.94Å; P421-V474 HydrophobicContact CG-CG1 4.23Å; P421-F478 HydrophobicContact CB-CD1 3.85Å; P421-F478 HydrophobicContact CB-CD2 3.87Å; P421-F478 HydrophobicContact CB-CE1 3.81Å; P421-F478 HydrophobicContact CB-CE2 3.81Å; P421-F478 HydrophobicContact CB-CG 3.88Å; P421-F478 HydrophobicContact CB-CZ 3.78Å; P421-F478 HydrophobicContact CG-CB 3.72Å; P421-F478 HydrophobicContact CG-CD1 3.74Å; P421-F478 HydrophobicContact CG-CD2 3.63Å; P421-F478 HydrophobicContact CG-CE1 4.23Å; P421-F478 HydrophobicContact CG-CE2 4.12Å; P421-F478 HydrophobicContact CG-CG 3.41Å; P421-F478 VanDerWaalsContact CG-CG 3.41Å; P421-F478 HydrophobicContact CG-CZ 4.4Å; P421-V483 HydrophobicContact CG-CG2 4.16Å; P421-H484 PolarHBondContact O-N 3.45Å
422	E	98.8	Very high	97.5	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.7	164.5	-176.3	170.4	-153.6	0	0	111.2	H369 W370 H371 I372 H484 G486 W545	H369-E422 IonicContact CE1-OE2 3.53Å; H369-E422 WeakPolarHBondContact NE2-CB 3.4Å; H369-E422 IonicContact NE2-OE2 3.35Å; H369-E422 PolarHBondContact NE2-OE2 2.86Å; H369-E422 VanDerWaalsContact NE2-OE2 3.13Å; W370-E422 PolarHBondContact O-N 3.39Å; H371-E422 HydrophobicContact CB-CB 4.45Å; H371-E422 IonicContact CE1-OE2 3.13Å; H371-E422 IonicContact CG-OE2 3.52Å; H371-E422 IonicContact ND1-OE1 3.13Å; H371-E422 IonicContact ND1-OE2 3.55Å; H371-E422 PolarHBondContact ND1-OE2 3.12Å; I372-E422 PolarHBondContact N-O 3.4Å; E422-H484 VanDerWaalsContact CA-O 3.28Å; E422-H484 WeakPolarHBondContact CA-O 3.49Å; E422-H484 HydrophobicContact CB-CB 3.77Å; E422-H484 HydrophobicContact CG-CB 3.91Å; E422-H484 IonicContact OE1-CE1 3.96Å; E422-H484 PolarHBondContact OE1-CE1 3.33Å; E422-H484 VanDerWaalsContact OE1-CE1 3.23Å; E422-H484 IonicContact OE1-CG 3.78Å; E422-H484 IonicContact OE1-ND1 3.06Å; E422-H484 PolarHBondContact OE1-ND1 3.36Å; E422-G486 VanDerWaalsContact OE1-CA 3.24Å; E422-G486 WeakPolarHBondContact OE1-CA 3.38Å; E422-W545 PolarHBondContact OE1-NE1 3.45Å
423	F	98.6	Very high	97.4	Very high	6 Å²	6	11.3 Å²	11.3	3%	0.026	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	90.3	169	-75.3	-101.9	0	0	0	107.3	I372 V373 F378 Y380 P421 I425 L470 F471 V474 F478 H484 L485	I372-F423 HydrophobicContact CD1-CE2 4.06Å; I372-F423 HydrophobicContact CD1-CZ 4.37Å; V373-F423 HydrophobicContact CG1-CD1 4.35Å; V373-F423 HydrophobicContact CG1-CE1 4.17Å; V373-F423 HydrophobicContact CG2-CB 4.32Å; V373-F423 HydrophobicContact CG2-CD1 3.71Å; V373-F423 HydrophobicContact CG2-CE1 4.35Å; V373-F423 HydrophobicContact CG2-CG 4.2Å; F378-F423 HydrophobicContact CZ-CD1 4.38Å; F378-F423 HydrophobicContact CZ-CE1 4.11Å; Y380-F423 AromaticContact CD1-CE1 3.86Å; Y380-F423 HydrophobicContact CD1-CE1 3.86Å; Y380-F423 AromaticContact CD1-CZ 3.98Å; Y380-F423 HydrophobicContact CD1-CZ 3.98Å; Y380-F423 HydrophobicContact CD2-CE1 4.29Å; Y380-F423 AromaticContact CD2-CZ 3.64Å; Y380-F423 HydrophobicContact CD2-CZ 3.64Å; Y380-F423 HydrophobicContact CE1-CE1 4.39Å; Y380-F423 HydrophobicContact CE1-CZ 4.29Å; Y380-F423 AromaticContact CE2-CZ 3.98Å; Y380-F423 HydrophobicContact CE2-CZ 3.98Å; Y380-F423 AromaticContact CG-CE1 3.79Å; Y380-F423 HydrophobicContact CG-CE1 3.79Å; Y380-F423 AromaticContact CG-CZ 3.63Å; Y380-F423 HydrophobicContact CG-CZ 3.63Å; P421-F423 HydrophobicContact CB-CD2 4.19Å; P421-F423 HydrophobicContact CB-CE2 3.94Å; F423-I425 PolarHBondContact O-N 3.34Å; F423-L470 HydrophobicContact CD1-CD2 4.46Å; F423-F471 HydrophobicContact CB-CE1 4.36Å; F423-V474 HydrophobicContact CD2-CG1 4.06Å; F423-V474 HydrophobicContact CD2-CG2 4.38Å; F423-V474 HydrophobicContact CE1-CG2 4.09Å; F423-V474 HydrophobicContact CE2-CB 4.41Å; F423-V474 HydrophobicContact CE2-CG1 3.62Å; F423-V474 HydrophobicContact CE2-CG2 3.78Å; F423-V474 HydrophobicContact CZ-CG1 4.29Å; F423-V474 HydrophobicContact CZ-CG2 3.61Å; F423-F478 HydrophobicContact CE2-CE2 4.44Å; F423-H484 PolarHBondContact N-O 2.94Å; F423-H484 VanDerWaalsContact N-O 3.13Å; F423-L485 HydrophobicContact CB-CD2 4.47Å
424	D	97.9	Very high	97.3	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.011	7%	0.073	C	C	.	.			trans	-64.3	132.6	-171.9	-150.5	-36.8	0	0	0	112.1	H371 H428 T429 G486 G487 D488	H371-D424 IonicContact CE1-OD2 2.64Å; D424-H428 HydrophobicContact CB-CB 4.01Å; D424-H428 IonicContact OD2-CD2 2.97Å; D424-H428 PolarHBondContact OD2-CD2 3.47Å; D424-T429 WeakPolarHBondContact O-CG2 3.26Å; D424-G486 VanDerWaalsContact OD1-CA 3.31Å; D424-G486 WeakPolarHBondContact OD1-CA 2.77Å; D424-G487 PolarHBondContact OD1-N 3.23Å; D424-D488 VanDerWaalsContact OD2-OD1 3.08Å
425	I	98.4	Very high	97.4	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.021	8%	0.077	C	C	.	.			trans	-154	154.4	177	55.2	164.6	0	0	0	110.4	F423 G427 T429 L456 L467 F471 L485 G487 F520 W521 V524	F423-I425 PolarHBondContact O-N 3.34Å; I425-G427 VanDerWaalsContact C-N 3.35Å; I425-T429 HydrophobicContact CG2-CG2 3.96Å; I425-L456 HydrophobicContact CB-CD1 4.04Å; I425-L456 HydrophobicContact CG2-CD1 3.6Å; I425-L467 HydrophobicContact CD1-CD1 4.13Å; I425-L467 HydrophobicContact CD1-CD2 4.4Å; I425-L467 HydrophobicContact CG2-CD2 4.14Å; I425-F471 HydrophobicContact CD1-CE2 4.16Å; I425-F471 HydrophobicContact CD1-CZ 3.74Å; I425-L485 HydrophobicContact CD1-CB 4.48Å; I425-L485 HydrophobicContact CD1-CD1 4.38Å; I425-L485 HydrophobicContact CG1-CB 4.11Å; I425-L485 WeakPolarHBondContact CG1-O 3.49Å; I425-L485 PolarHBondContact N-O 3.36Å; I425-L485 VanDerWaalsContact N-O 3.09Å; I425-L485 VanDerWaalsContact O-O 3.09Å; I425-G487 VanDerWaalsContact O-CA 3.22Å; I425-G487 WeakPolarHBondContact O-CA 3.3Å; I425-G487 PolarHBondContact O-N 2.93Å; I425-F520 HydrophobicContact CB-CE1 4.42Å; I425-F520 HydrophobicContact CB-CZ 4.17Å; I425-F520 HydrophobicContact CD1-CE1 4.03Å; I425-F520 HydrophobicContact CD1-CZ 3.91Å; I425-F520 HydrophobicContact CG1-CE1 4.35Å; I425-F520 HydrophobicContact CG1-CZ 4.39Å; I425-W521 HydrophobicContact CG1-CH2 4.3Å; I425-W521 WeakPolarHBondContact O-CZ2 3.47Å; I425-V524 HydrophobicContact CD1-CG1 4.13Å; I425-V524 HydrophobicContact CD1-CG2 3.97Å
426	P	97.8	Very high	97.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.081	C	C	.	.	S	Bend	cis	-81.8	-7.6	-8.4	33.3	-34.8	0	0	0	113.5	T429 P455 L456 V490 W495 I517 F520	P426-T429 PolarHBondContact O-OG1 3.24Å; P426-P455 HydrophobicContact CB-CB 4.23Å; P426-P455 CarbonylContact O-C 3.33Å; P426-P455 WeakPolarHBondContact O-CA 3.41Å; P426-P455 VanDerWaalsContact O-CB 3.32Å; P426-P455 WeakPolarHBondContact O-CB 3.38Å; P426-L456 HydrophobicContact CB-CB 3.9Å; P426-L456 HydrophobicContact CB-CG 4.35Å; P426-L456 PolarHBondContact O-N 3.07Å; P426-V490 HydrophobicContact CG-CG1 3.78Å; P426-V490 HydrophobicContact CG-CG2 3.9Å; P426-W495 HydrophobicContact CB-CZ2 4.2Å; P426-W495 HydrophobicContact CG-CH2 4.07Å; P426-W495 HydrophobicContact CG-CZ2 3.98Å; P426-I517 HydrophobicContact CG-CD1 4.35Å; P426-F520 HydrophobicContact CB-CD1 4.23Å; P426-F520 HydrophobicContact CB-CD2 4.48Å; P426-F520 HydrophobicContact CB-CE1 3.77Å; P426-F520 HydrophobicContact CB-CE2 4.05Å; P426-F520 HydrophobicContact CB-CZ 3.68Å; P426-F520 HydrophobicContact CG-CD1 4.07Å; P426-F520 HydrophobicContact CG-CE1 3.93Å; P426-F520 HydrophobicContact CG-CZ 4.36Å
427	G	95.8	Very high	97.3	Very high	7 Å²	7	19 Å²	19	7%	0.072	10%	0.097	C	C	.	.	S	Bend	trans	-74.1	-178.2	172.3	0	0	0	0	0	112	I425 T429	I425-G427 VanDerWaalsContact C-N 3.35Å; G427-T429 WeakPolarHBondContact O-CG2 3.25Å; G427-T429 PolarHBondContact O-N 2.87Å; G427-T429 PolarHBondContact O-OG1 3.08Å
428	H	96.4	Very high	97.1	Very high	26 Å²	26	22.6 Å²	22.6	12%	0.12	11%	0.113	C	C	.	.	S	Bend	trans	48.8	37.2	170.9	-55.6	-50.9	0	0	0	114.9	D374 D375 D424 D488 E489	D374-H428 CarbonylContact C-O 3.6Å; D374-H428 VanDerWaalsContact C-O 3.28Å; D374-H428 VanDerWaalsContact CA-O 3.22Å; D374-H428 WeakPolarHBondContact CA-O 3.44Å; D374-H428 WeakPolarHBondContact OD1-CB 3.36Å; D374-H428 IonicContact OD1-CG 2.67Å; D374-H428 IonicContact OD1-ND1 2.73Å; D375-H428 PolarHBondContact N-O 2.94Å; D375-H428 VanDerWaalsContact OD1-CA 3.29Å; D375-H428 WeakPolarHBondContact OD1-CA 3.34Å; D424-H428 HydrophobicContact CB-CB 4.01Å; D424-H428 IonicContact OD2-CD2 2.97Å; D424-H428 PolarHBondContact OD2-CD2 3.47Å; H428-D488 IonicContact CD2-OD1 2.61Å; H428-D488 PolarHBondContact CD2-OD1 3.05Å; H428-D488 IonicContact CD2-OD2 3.1Å; H428-D488 IonicContact CE1-OD2 3.58Å; H428-D488 IonicContact NE2-OD1 3.47Å; H428-D488 PolarHBondContact NE2-OD1 3.27Å; H428-D488 IonicContact NE2-OD2 2.75Å; H428-D488 PolarHBondContact NE2-OD2 3.47Å; H428-E489 IonicContact CE1-OE2 3.33Å
429	T	96.8	Very high	97	Very high	5 Å²	5	22.5 Å²	22.5	3%	0.031	11%	0.113	C	C	.	.			trans	-121.8	8.7	-170.4	42.7	0	0	0	0	113.4	D375 D424 I425 P426 G427 S431 L432 M440 L456	D375-T429 PolarHBondContact OD1-N 3.24Å; D424-T429 WeakPolarHBondContact O-CG2 3.26Å; I425-T429 HydrophobicContact CG2-CG2 3.96Å; P426-T429 PolarHBondContact O-OG1 3.24Å; G427-T429 WeakPolarHBondContact O-CG2 3.25Å; G427-T429 PolarHBondContact O-N 2.87Å; G427-T429 PolarHBondContact O-OG1 3.08Å; T429-S431 PolarHBondContact O-N 2.78Å; T429-S431 VanDerWaalsContact O-N 3.08Å; T429-L432 HydrophobicContact CG2-CD1 3.88Å; T429-L432 VanDerWaalsContact O-CB 3.26Å; T429-L432 WeakPolarHBondContact O-CB 3.47Å; T429-L432 PolarHBondContact O-N 2.85Å; T429-M440 WeakPolarHBondContact O-CE 2.99Å; T429-L456 HydrophobicContact CG2-CD1 4.39Å; T429-L456 HydrophobicContact CG2-CD2 4.21Å; T429-L456 HydrophobicContact CG2-CG 4.09Å
430	R	95.1	Very high	96.9	Very high	128 Å²	128	22.4 Å²	22.4	48%	0.483	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-58	-30.4	-174.2	-173.6	178	176	-178.4	0.8	113.3	D375 L432 S433	D375-R430 HydrophobicContact CB-CB 3.9Å; D375-R430 VanDerWaalsContact CG-CB 3.47Å; D375-R430 WeakPolarHBondContact OD1-CB 3.19Å; D375-R430 PolarHBondContact OD1-N 3.2Å; R430-L432 PolarHBondContact O-N 2.98Å; R430-S433 VanDerWaalsContact O-CB 3.25Å; R430-S433 WeakPolarHBondContact O-CB 3.5Å; R430-S433 PolarHBondContact O-N 3.03Å; R430-S433 PolarHBondContact O-OG 3.05Å
431	S	96.6	Very high	96.7	Very high	4 Å²	4	22.4 Å²	22.4	3%	0.028	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-60.3	-30.8	175.8	58.7	0	0	0	0	112.9	D374 D375 T429 S433 L434	D374-S431 VanDerWaalsContact O-CB 3.24Å; D374-S431 WeakPolarHBondContact O-CB 3.16Å; D374-S431 PolarHBondContact O-OG 2.59Å; D375-S431 PolarHBondContact O-N 3.3Å; T429-S431 PolarHBondContact O-N 2.78Å; T429-S431 VanDerWaalsContact O-N 3.08Å; S431-S433 VanDerWaalsContact C-N 3.26Å; S431-S433 PolarHBondContact O-N 3.08Å; S431-L434 WeakPolarHBondContact O-CB 3.32Å; S431-L434 PolarHBondContact O-N 2.83Å
432	L	97.1	Very high	96.2	Very high	7 Å²	7	26.4 Å²	26.4	4%	0.037	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-64	-29.3	173.9	-65.3	176.4	0	0	0	112.6	F378 L388 T429 R430 L434 S435 H436 I439 M440 L456	F378-L432 HydrophobicContact CD2-CD2 3.56Å; F378-L432 HydrophobicContact CD2-CG 4.21Å; F378-L432 HydrophobicContact CE2-CD2 3.39Å; F378-L432 HydrophobicContact CE2-CG 4.24Å; F378-L432 HydrophobicContact CG-CD2 4.42Å; F378-L432 HydrophobicContact CZ-CD2 4.11Å; L388-L432 HydrophobicContact CD1-CD2 4.4Å; L388-L432 HydrophobicContact CD2-CD2 3.67Å; T429-L432 HydrophobicContact CG2-CD1 3.88Å; T429-L432 VanDerWaalsContact O-CB 3.26Å; T429-L432 WeakPolarHBondContact O-CB 3.47Å; T429-L432 PolarHBondContact O-N 2.85Å; R430-L432 PolarHBondContact O-N 2.98Å; L432-L434 PolarHBondContact O-N 3.48Å; L432-L434 VanDerWaalsContact O-N 3.11Å; L432-S435 PolarHBondContact O-N 2.92Å; L432-S435 PolarHBondContact O-OG 2.95Å; L432-H436 PolarHBondContact O-N 3.45Å; L432-I439 HydrophobicContact CB-CD1 4.49Å; L432-I439 HydrophobicContact CD1-CD1 4.28Å; L432-M440 HydrophobicContact CB-SD 4.25Å; L432-L456 HydrophobicContact CD1-CD2 4.16Å
433	S	95.1	Very high	95.5	Very high	12 Å²	12	26.5 Å²	26.5	8%	0.084	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-63.9	-18.3	-179	76.4	0	0	0	0	113.9	R430 S431 S435 P437 Y453	R430-S433 VanDerWaalsContact O-CB 3.25Å; R430-S433 WeakPolarHBondContact O-CB 3.5Å; R430-S433 PolarHBondContact O-N 3.03Å; R430-S433 PolarHBondContact O-OG 3.05Å; S431-S433 VanDerWaalsContact C-N 3.26Å; S431-S433 PolarHBondContact O-N 3.08Å; S433-S435 VanDerWaalsContact C-N 3.33Å; S433-P437 WeakPolarHBondContact O-CD 3.36Å; S433-Y453 WeakPolarHBondContact OG-CD2 3.45Å
434	L	95.9	Very high	94.3	Very high	100 Å²	100	30.5 Å²	30.5	52%	0.524	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-72	-29.2	179.5	-60.2	176.9	0	0	0	111.9	K391 S431 L432	K391-L434 HydrophobicContact CB-CB 4.05Å; K391-L434 WeakPolarHBondContact CD-O 3.41Å; K391-L434 WeakPolarHBondContact O-CD1 3.41Å; S431-L434 WeakPolarHBondContact O-CB 3.32Å; S431-L434 PolarHBondContact O-N 2.83Å; L432-L434 PolarHBondContact O-N 3.48Å; L432-L434 VanDerWaalsContact O-N 3.11Å
435	S	96.8	Very high	92.8	Very high	15 Å²	15	35.4 Å²	35.4	11%	0.105	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-40.6	175.7	46.4	0	0	0	0	113.1	L388 L432 S433 P437	L388-S435 WeakPolarHBondContact CD2-OG 3.2Å; L432-S435 PolarHBondContact O-N 2.92Å; L432-S435 PolarHBondContact O-OG 2.95Å; S433-S435 VanDerWaalsContact C-N 3.33Å; S435-P437 WeakPolarHBondContact O-CD 3.4Å
436	H	97.4	Very high	91.1	Very high	18 Å²	18	42.1 Å²	42.1	8%	0.083	21%	0.205	C	C	.	.			trans	-125	69	-175.9	-61.1	-82.4	0	0	0	112.4	E387 L388 L432 E438 I439 L466	E387-H436 IonicContact OE1-CE1 2.74Å; E387-H436 PolarHBondContact OE1-CE1 3.18Å; E387-H436 IonicContact OE1-NE2 3.6Å; E387-H436 PolarHBondContact OE1-NE2 3.4Å; L388-H436 VanDerWaalsContact CD2-CD2 3.41Å; L388-H436 WeakPolarHBondContact CD2-CD2 3.39Å; L432-H436 PolarHBondContact O-N 3.45Å; H436-E438 VanDerWaalsContact C-OE2 3.26Å; H436-E438 VanDerWaalsContact CA-OE2 3.26Å; H436-E438 WeakPolarHBondContact CA-OE2 3.27Å; H436-E438 WeakPolarHBondContact CB-OE1 3.46Å; H436-E438 IonicContact CG-OE1 2.68Å; H436-E438 IonicContact ND1-OE1 3.4Å; H436-E438 PolarHBondContact ND1-OE1 3.2Å; H436-E438 PolarHBondContact O-N 3.34Å; H436-I439 HydrophobicContact CB-CD1 4.16Å; H436-I439 HydrophobicContact CB-CG1 3.85Å; H436-I439 WeakPolarHBondContact O-CG1 3.27Å; H436-I439 PolarHBondContact O-N 2.77Å; H436-L466 HydrophobicContact CB-CD1 4.15Å
437	P	95.3	Very high	89.2	Confident	50 Å²	50	47.1 Å²	47.1	33%	0.325	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-61	-22.9	175	26	-34.8	0	0	0	113.3	S433 S435 I439 M440 Y453	S433-P437 WeakPolarHBondContact O-CD 3.36Å; S435-P437 WeakPolarHBondContact O-CD 3.4Å; P437-I439 VanDerWaalsContact C-N 3.26Å; P437-I439 PolarHBondContact O-N 2.85Å; P437-M440 PolarHBondContact O-N 2.88Å; P437-Y453 HydrophobicContact CB-CE1 4.01Å; P437-Y453 HydrophobicContact CB-CE2 4.15Å; P437-Y453 WeakPolarHBondContact CB-OH 3.48Å
438	E	94.9	Very high	87.3	Confident	78 Å²	78	53.7 Å²	53.7	36%	0.364	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-72.2	-11.3	-177.5	73.3	-74.4	178.1	0	0	115.4	H436 S460 K462	H436-E438 VanDerWaalsContact C-OE2 3.26Å; H436-E438 VanDerWaalsContact CA-OE2 3.26Å; H436-E438 WeakPolarHBondContact CA-OE2 3.27Å; H436-E438 WeakPolarHBondContact CB-OE1 3.46Å; H436-E438 IonicContact CG-OE1 2.68Å; H436-E438 IonicContact ND1-OE1 3.4Å; H436-E438 PolarHBondContact ND1-OE1 3.2Å; H436-E438 PolarHBondContact O-N 3.34Å; E438-S460 PolarHBondContact O-OG 3.12Å; E438-K462 HydrophobicContact CB-CD 4.31Å; E438-K462 HydrophobicContact CG-CD 3.56Å
439	I	96.9	Very high	85.3	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-100.4	-0.3	175	66.3	160	0	0	0	112.7	L432 H436 P437 L456 N457 K462 T463 L466	L432-I439 HydrophobicContact CB-CD1 4.49Å; L432-I439 HydrophobicContact CD1-CD1 4.28Å; H436-I439 HydrophobicContact CB-CD1 4.16Å; H436-I439 HydrophobicContact CB-CG1 3.85Å; H436-I439 WeakPolarHBondContact O-CG1 3.27Å; H436-I439 PolarHBondContact O-N 2.77Å; P437-I439 VanDerWaalsContact C-N 3.26Å; P437-I439 PolarHBondContact O-N 2.85Å; I439-L456 HydrophobicContact CD1-CD2 3.83Å; I439-L456 HydrophobicContact CG1-CD2 4.27Å; I439-N457 WeakPolarHBondContact O-CB 3.47Å; I439-N457 PolarHBondContact O-N 3.32Å; I439-K462 HydrophobicContact CG2-CB 3.93Å; I439-T463 PolarHBondContact O-OG1 2.95Å; I439-L466 HydrophobicContact CD1-CD1 3.98Å; I439-L466 HydrophobicContact CD1-CD2 4.09Å; I439-L466 HydrophobicContact CD1-CG 4.49Å
440	M	95.8	Very high	83.5	Confident	6 Å²	6	66 Å²	66	3%	0.03	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	147.4	-173.8	-55.2	-59.1	-65.9	0	0	111.1	T429 L432 P437 Y453 G454 L456	T429-M440 WeakPolarHBondContact O-CE 2.99Å; L432-M440 HydrophobicContact CB-SD 4.25Å; P437-M440 PolarHBondContact O-N 2.88Å; M440-Y453 HydrophobicContact CB-CD1 3.44Å; M440-Y453 VanDerWaalsContact CB-CD1 3.44Å; M440-Y453 HydrophobicContact CB-CE1 4.19Å; M440-Y453 HydrophobicContact CB-CG 3.94Å; M440-Y453 HydrophobicContact CG-CD1 4.23Å; M440-Y453 HydrophobicContact CG-CG 4.36Å; M440-G454 WeakPolarHBondContact CE-O 3.46Å; M440-L456 HydrophobicContact CE-CD2 4.44Å; M440-L456 HydrophobicContact SD-CD2 3.6Å
441	S	94.4	Very high	82.1	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	140.6	172	-44.5	0	0	0	0	110.4	C443 Y453 G454 P455 L456 N457 W495 D498	S441-C443 PolarHBondContact O-N 3.4Å; S441-Y453 WeakPolarHBondContact O-CA 3.47Å; S441-G454 PolarHBondContact O-N 3.21Å; S441-P455 WeakPolarHBondContact CB-O 3.33Å; S441-P455 PolarHBondContact N-O 2.91Å; S441-P455 PolarHBondContact OG-O 2.79Å; S441-L456 PolarHBondContact OG-O 3.11Å; S441-N457 VanDerWaalsContact OG-CA 3.28Å; S441-N457 WeakPolarHBondContact OG-CA 3.29Å; S441-N457 PolarHBondContact OG-N 2.85Å; S441-W495 PolarHBondContact OG-NE1 3.14Å; S441-W495 VanDerWaalsContact OG-NE1 3.15Å; S441-D498 WeakPolarHBondContact CA-OD2 3.34Å
442	Q	89.4	Confident	81.4	Confident	86 Å²	86	65.5 Å²	65.5	40%	0.402	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	110.3	172	-64.3	-169.6	-1	0	0	110.2	D498	Q442-D498 PolarHBondContact N-OD2 3.45Å
443	C	83.7	Confident	80.7	Confident	1 Å²	1	69 Å²	69	1%	0.007	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	127.4	171	-59.9	0	0	0	0	110	S441 A451 Y452 G454 C494	S441-C443 PolarHBondContact O-N 3.4Å; C443-A451 VanDerWaalsContact O-CA 3.29Å; C443-A451 WeakPolarHBondContact O-CA 3.43Å; C443-Y452 HydrophobicContact CB-CD1 3.99Å; C443-Y452 HydrophobicContact CB-CD2 4.34Å; C443-Y452 HydrophobicContact CB-CE1 3.52Å; C443-Y452 HydrophobicContact CB-CE2 3.92Å; C443-Y452 HydrophobicContact CB-CG 4.37Å; C443-Y452 VanDerWaalsContact CB-CZ 3.49Å; C443-Y452 PolarHBondContact N-O 2.84Å; C443-Y452 PolarHBondContact O-N 2.91Å; C443-G454 WeakPolarHBondContact SG-CA 3.44Å; C443-G454 PolarHBondContact SG-N 3.35Å; C443-C494 HydrophobicContact CB-CB 4.07Å; C443-C494 WeakPolarHBondContact CB-SG 3.38Å; C443-C494 WeakPolarHBondContact SG-CB 3.3Å; C443-C494 CovalentContact SG-SG 2.01Å; C443-C494 PolarHBondContact SG-SG 2.7Å
444	Q	73.5	Confident	80.4	Confident	90 Å²	90	69.1 Å²	69.1	42%	0.421	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.4	169.8	-62.7	-175.9	24	0	0	109.3	A451	Q444-A451 HydrophobicContact CG-CB 3.98Å
445	Y	65	Low	80.4	Confident	106 Å²	106	64.5 Å²	64.5	42%	0.416	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	128.5	168	-81.5	-70.2	0	0	0	110	S447 K448 Y452 E491	Y445-S447 PolarHBondContact O-N 3.04Å; Y445-K448 CarbonylContact O-C 3.52Å; Y445-K448 PolarHBondContact O-N 2.86Å; Y445-Y452 AromaticContact CD2-CE1 3.64Å; Y445-Y452 HydrophobicContact CD2-CE1 3.64Å; Y445-Y452 AromaticContact CE2-CE1 3.49Å; Y445-Y452 HydrophobicContact CE2-CE1 3.49Å; Y445-Y452 VanDerWaalsContact CE2-CE1 3.49Å; Y445-Y452 AromaticContact CE2-CZ 3.77Å; Y445-Y452 WeakPolarHBondContact CE2-OH 3.49Å; Y445-E491 VanDerWaalsContact CZ-OE1 3.22Å; Y445-E491 PolarHBondContact OH-OE1 3.37Å
446	D	64.4	Low	80.4	Confident	145 Å²	145	63.8 Å²	63.8	78%	0.775	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-26.7	177.4	-64.8	-33.8	0	0	0	113.4
447	S	57.6	Low	80.4	Confident	105 Å²	105	63.9 Å²	63.9	73%	0.734	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-19.1	-172.1	65.3	0	0	0	0	114.8	Y445	Y445-S447 PolarHBondContact O-N 3.04Å
448	K	55.2	Low	80.4	Confident	144 Å²	144	61.5 Å²	61.5	63%	0.626	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.3	119	178.3	-63.7	-178.5	-176.3	173.6	0	106.3	Y445 L450	Y445-K448 CarbonylContact O-C 3.52Å; Y445-K448 PolarHBondContact O-N 2.86Å; K448-L450 HydrophobicContact CB-CD1 4.19Å; K448-L450 HydrophobicContact CB-CG 4.34Å; K448-L450 HydrophobicContact CD-CD1 4.33Å; K448-L450 PolarHBondContact O-N 2.92Å
449	N	54.3	Low	80.4	Confident	168 Å²	168	60 Å²	60	90%	0.898	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.7	29.3	175.1	-74.1	-19.6	0	0	0	115.1	A451	N449-A451 PolarHBondContact O-N 3.13Å
450	L	59.5	Low	80.3	Confident	123 Å²	123	61 Å²	61	64%	0.644	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	84.1	174.1	-64.6	168.9	0	0	0	107	K448	K448-L450 HydrophobicContact CB-CD1 4.19Å; K448-L450 HydrophobicContact CB-CG 4.34Å; K448-L450 HydrophobicContact CD-CD1 4.33Å; K448-L450 PolarHBondContact O-N 2.92Å
451	A	65	Low	80.3	Confident	62 Å²	62	66.6 Å²	66.6	51%	0.512	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	134.7	164.6	0	0	0	0	0	108.9	C443 Q444 N449	C443-A451 VanDerWaalsContact O-CA 3.29Å; C443-A451 WeakPolarHBondContact O-CA 3.43Å; Q444-A451 HydrophobicContact CG-CB 3.98Å; N449-A451 PolarHBondContact O-N 3.13Å
452	Y	82.3	Confident	80.5	Confident	59 Å²	59	72.1 Å²	72.1	23%	0.231	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	166.1	171.7	68.2	-77.2	0	0	0	110.1	C443 Y445 E491	C443-Y452 HydrophobicContact CB-CD1 3.99Å; C443-Y452 HydrophobicContact CB-CD2 4.34Å; C443-Y452 HydrophobicContact CB-CE1 3.52Å; C443-Y452 HydrophobicContact CB-CE2 3.92Å; C443-Y452 HydrophobicContact CB-CG 4.37Å; C443-Y452 VanDerWaalsContact CB-CZ 3.49Å; C443-Y452 PolarHBondContact N-O 2.84Å; C443-Y452 PolarHBondContact O-N 2.91Å; Y445-Y452 AromaticContact CD2-CE1 3.64Å; Y445-Y452 HydrophobicContact CD2-CE1 3.64Å; Y445-Y452 AromaticContact CE2-CE1 3.49Å; Y445-Y452 HydrophobicContact CE2-CE1 3.49Å; Y445-Y452 VanDerWaalsContact CE2-CE1 3.49Å; Y445-Y452 AromaticContact CE2-CZ 3.77Å; Y445-Y452 WeakPolarHBondContact CE2-OH 3.49Å; Y452-E491 PolarHBondContact OH-OE1 2.99Å; Y452-E491 PolarHBondContact OH-OE2 2.96Å
453	Y	83.5	Confident	80.9	Confident	81 Å²	81	68 Å²	68	32%	0.318	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	119.1	173.3	-65.2	-64.4	0	0	0	109.5	S433 P437 M440 S441	S433-Y453 WeakPolarHBondContact OG-CD2 3.45Å; P437-Y453 HydrophobicContact CB-CE1 4.01Å; P437-Y453 HydrophobicContact CB-CE2 4.15Å; P437-Y453 WeakPolarHBondContact CB-OH 3.48Å; M440-Y453 HydrophobicContact CB-CD1 3.44Å; M440-Y453 VanDerWaalsContact CB-CD1 3.44Å; M440-Y453 HydrophobicContact CB-CE1 4.19Å; M440-Y453 HydrophobicContact CB-CG 3.94Å; M440-Y453 HydrophobicContact CG-CD1 4.23Å; M440-Y453 HydrophobicContact CG-CG 4.36Å; S441-Y453 WeakPolarHBondContact O-CA 3.47Å
454	G	88	Confident	81.6	Confident	13 Å²	13	69 Å²	69	13%	0.134	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-133.1	172.1	0	0	0	0	0	111.6	M440 S441 C443	M440-G454 WeakPolarHBondContact CE-O 3.46Å; S441-G454 PolarHBondContact O-N 3.21Å; C443-G454 WeakPolarHBondContact SG-CA 3.44Å; C443-G454 PolarHBondContact SG-N 3.35Å
455	P	95.7	Very high	82.8	Confident	4 Å²	4	70.6 Å²	70.6	3%	0.026	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	161.2	-174	27.9	-34.9	0	0	0	112.5	P426 S441 N457 V490 C494 W495	P426-P455 HydrophobicContact CB-CB 4.23Å; P426-P455 CarbonylContact O-C 3.33Å; P426-P455 WeakPolarHBondContact O-CA 3.41Å; P426-P455 VanDerWaalsContact O-CB 3.32Å; P426-P455 WeakPolarHBondContact O-CB 3.38Å; S441-P455 WeakPolarHBondContact CB-O 3.33Å; S441-P455 PolarHBondContact N-O 2.91Å; S441-P455 PolarHBondContact OG-O 2.79Å; P455-N457 PolarHBondContact O-N 3.21Å; P455-V490 HydrophobicContact CB-CG1 3.95Å; P455-V490 HydrophobicContact CG-CG1 4.28Å; P455-C494 HydrophobicContact CG-CB 4.33Å; P455-W495 HydrophobicContact CB-CZ2 4.16Å; P455-W495 HydrophobicContact CG-CZ2 4.25Å
456	L	97.7	Very high	84.4	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.1	141.1	171.9	-65	-173.8	0	0	0	111.4	I425 P426 T429 L432 I439 M440 S441 P458 T463 L467 W495 F520	I425-L456 HydrophobicContact CB-CD1 4.04Å; I425-L456 HydrophobicContact CG2-CD1 3.6Å; P426-L456 HydrophobicContact CB-CB 3.9Å; P426-L456 HydrophobicContact CB-CG 4.35Å; P426-L456 PolarHBondContact O-N 3.07Å; T429-L456 HydrophobicContact CG2-CD1 4.39Å; T429-L456 HydrophobicContact CG2-CD2 4.21Å; T429-L456 HydrophobicContact CG2-CG 4.09Å; L432-L456 HydrophobicContact CD1-CD2 4.16Å; I439-L456 HydrophobicContact CD1-CD2 3.83Å; I439-L456 HydrophobicContact CG1-CD2 4.27Å; M440-L456 HydrophobicContact CE-CD2 4.44Å; M440-L456 HydrophobicContact SD-CD2 3.6Å; S441-L456 PolarHBondContact OG-O 3.11Å; L456-P458 WeakPolarHBondContact O-CD 3.33Å; L456-T463 HydrophobicContact CB-CG2 3.93Å; L456-T463 HydrophobicContact CD1-CG2 4.06Å; L456-T463 HydrophobicContact CG-CG2 4.46Å; L456-L467 HydrophobicContact CD1-CD1 4.14Å; L456-L467 HydrophobicContact CD1-CD2 4.23Å; L456-W495 PolarHBondContact O-NE1 3.36Å; L456-F520 HydrophobicContact CB-CE2 4.15Å; L456-F520 HydrophobicContact CD1-CE2 4.23Å; L456-F520 HydrophobicContact CD1-CZ 4.08Å
457	N	96.1	Very high	86.1	Confident	20 Å²	20	59 Å²	59	11%	0.107	32%	0.316	C	S	.	.			trans	-79.8	110.1	-179.1	-174.9	-30	0	0	0	110	I439 S441 P455 A459 S460 T463 I501	I439-N457 WeakPolarHBondContact O-CB 3.47Å; I439-N457 PolarHBondContact O-N 3.32Å; S441-N457 VanDerWaalsContact OG-CA 3.28Å; S441-N457 WeakPolarHBondContact OG-CA 3.29Å; S441-N457 PolarHBondContact OG-N 2.85Å; P455-N457 PolarHBondContact O-N 3.21Å; N457-A459 VanDerWaalsContact C-N 3.29Å; N457-A459 PolarHBondContact O-N 3.12Å; N457-A459 WeakPolarHBondContact OD1-CA 3.47Å; N457-A459 WeakPolarHBondContact OD1-CB 3.49Å; N457-A459 PolarHBondContact OD1-N 3.21Å; N457-S460 PolarHBondContact O-N 3.17Å; N457-S460 PolarHBondContact OD1-N 3.46Å; N457-T463 WeakPolarHBondContact O-CB 3.14Å; N457-T463 PolarHBondContact O-OG1 2.97Å; N457-I501 WeakPolarHBondContact OD1-CD1 3.47Å
458	P	96	Very high	88	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-13.4	-176.4	34.1	-37.5	0	0	0	112.7	L456 Y464 W495 W516 Y519 F520	L456-P458 WeakPolarHBondContact O-CD 3.33Å; P458-Y464 WeakPolarHBondContact CA-OH 3.3Å; P458-Y464 WeakPolarHBondContact O-CE2 3.4Å; P458-Y464 PolarHBondContact O-OH 3.34Å; P458-W495 VanDerWaalsContact CD-CD1 3.49Å; P458-W495 HydrophobicContact CG-CD2 3.87Å; P458-W495 HydrophobicContact CG-CE3 4.44Å; P458-W495 HydrophobicContact CG-CG 4.03Å; P458-W495 HydrophobicContact CG-CZ2 4.17Å; P458-W516 HydrophobicContact CB-CB 4.46Å; P458-W516 HydrophobicContact CB-CD2 4.46Å; P458-W516 HydrophobicContact CB-CE3 3.82Å; P458-W516 HydrophobicContact CG-CB 3.81Å; P458-W516 HydrophobicContact CG-CD2 3.86Å; P458-W516 HydrophobicContact CG-CE3 3.69Å; P458-W516 HydrophobicContact CG-CG 3.93Å; P458-Y519 WeakPolarHBondContact O-CE1 3.48Å; P458-F520 HydrophobicContact CB-CB 4.12Å; P458-F520 HydrophobicContact CB-CD2 4.12Å
459	A	94.4	Very high	90.1	Very high	45 Å²	45	52.9 Å²	52.9	37%	0.372	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-14.7	175	0	0	0	0	0	112.6	N457 I501 W516	N457-A459 VanDerWaalsContact C-N 3.29Å; N457-A459 PolarHBondContact O-N 3.12Å; N457-A459 WeakPolarHBondContact OD1-CA 3.47Å; N457-A459 WeakPolarHBondContact OD1-CB 3.49Å; N457-A459 PolarHBondContact OD1-N 3.21Å; A459-I501 HydrophobicContact CB-CG1 3.97Å; A459-I501 HydrophobicContact CB-CG2 4.4Å; A459-W516 HydrophobicContact CB-CH2 3.7Å; A459-W516 HydrophobicContact CB-CZ2 4.22Å; A459-W516 HydrophobicContact CB-CZ3 4.02Å
460	S	94.8	Very high	92.2	Very high	22 Å²	22	45.1 Å²	45.1	15%	0.154	24%	0.238	C	C	.	.			trans	-88.1	119.1	-177.5	-177.1	0	0	0	0	111.7	E438 N457 K462 T463	E438-S460 PolarHBondContact O-OG 3.12Å; N457-S460 PolarHBondContact O-N 3.17Å; N457-S460 PolarHBondContact OD1-N 3.46Å; S460-K462 PolarHBondContact O-N 2.77Å; S460-K462 PolarHBondContact OG-N 2.9Å; S460-T463 VanDerWaalsContact O-CB 3.25Å; S460-T463 WeakPolarHBondContact O-CB 3.36Å; S460-T463 PolarHBondContact O-N 2.81Å; S460-T463 VanDerWaalsContact O-N 3.13Å; S460-T463 PolarHBondContact O-OG1 3.1Å
461	N	96.5	Very high	94	Very high	125 Å²	125	39.3 Å²	39.3	67%	0.668	21%	0.208	S	C	*	.	H	α-helix	trans	-60.5	-28	173	-74	-20.9	0	0	0	112.7	T463 Y464 E465	N461-T463 PolarHBondContact O-N 3.43Å; N461-Y464 PolarHBondContact O-N 3.27Å; N461-E465 PolarHBondContact O-N 2.79Å
462	K	97.8	Very high	95.6	Very high	115 Å²	115	39.4 Å²	39.4	50%	0.5	20%	0.2	S	C	.	.	H	α-helix	trans	-64.2	-31.7	177.8	-63.6	-174.6	177.8	-177.1	0	112.2	E438 I439 S460 Y464 E465 L466	E438-K462 HydrophobicContact CB-CD 4.31Å; E438-K462 HydrophobicContact CG-CD 3.56Å; I439-K462 HydrophobicContact CG2-CB 3.93Å; S460-K462 PolarHBondContact O-N 2.77Å; S460-K462 PolarHBondContact OG-N 2.9Å; K462-Y464 VanDerWaalsContact C-N 3.31Å; K462-Y464 PolarHBondContact O-N 2.85Å; K462-E465 PolarHBondContact O-N 2.91Å; K462-L466 WeakPolarHBondContact O-CB 3.16Å; K462-L466 PolarHBondContact O-N 3.2Å
463	T	98.3	Very high	96.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-56.8	-49.6	173.8	-55.7	0	0	0	0	109.9	I439 L456 N457 S460 N461 L466 L467 F520	I439-T463 PolarHBondContact O-OG1 2.95Å; L456-T463 HydrophobicContact CB-CG2 3.93Å; L456-T463 HydrophobicContact CD1-CG2 4.06Å; L456-T463 HydrophobicContact CG-CG2 4.46Å; N457-T463 WeakPolarHBondContact O-CB 3.14Å; N457-T463 PolarHBondContact O-OG1 2.97Å; S460-T463 VanDerWaalsContact O-CB 3.25Å; S460-T463 WeakPolarHBondContact O-CB 3.36Å; S460-T463 PolarHBondContact O-N 2.81Å; S460-T463 VanDerWaalsContact O-N 3.13Å; S460-T463 PolarHBondContact O-OG1 3.1Å; N461-T463 PolarHBondContact O-N 3.43Å; T463-L466 PolarHBondContact O-N 2.83Å; T463-L467 HydrophobicContact CG2-CD1 4.2Å; T463-L467 VanDerWaalsContact O-CG 3.27Å; T463-L467 WeakPolarHBondContact O-CG 3.31Å; T463-L467 PolarHBondContact O-N 3.33Å; T463-F520 HydrophobicContact CG2-CE2 4.26Å
464	Y	98.7	Very high	97	Very high	23 Å²	23	33.5 Å²	33.5	9%	0.09	18%	0.177	C	C	.	.	H	α-helix	trans	-72.9	-33.6	-177.4	-58.4	-61	0	0	0	113.2	P458 N461 K462 L467 E468 Y519 F520 C523 I527	P458-Y464 WeakPolarHBondContact CA-OH 3.3Å; P458-Y464 WeakPolarHBondContact O-CE2 3.4Å; P458-Y464 PolarHBondContact O-OH 3.34Å; N461-Y464 PolarHBondContact O-N 3.27Å; K462-Y464 VanDerWaalsContact C-N 3.31Å; K462-Y464 PolarHBondContact O-N 2.85Å; Y464-L467 PolarHBondContact O-N 3.01Å; Y464-E468 WeakPolarHBondContact O-CB 3.38Å; Y464-E468 PolarHBondContact O-N 3.24Å; Y464-Y519 AromaticContact CE2-CE1 3.98Å; Y464-Y519 HydrophobicContact CE2-CE1 3.98Å; Y464-Y519 AromaticContact CZ-CE1 4Å; Y464-Y519 WeakPolarHBondContact OH-CD1 3.29Å; Y464-Y519 WeakPolarHBondContact OH-CE1 3.47Å; Y464-F520 AromaticContact CE1-CD2 3.99Å; Y464-F520 HydrophobicContact CE1-CD2 3.99Å; Y464-F520 HydrophobicContact CE1-CE2 4.24Å; Y464-C523 HydrophobicContact CD1-CB 3.75Å; Y464-C523 HydrophobicContact CE1-CB 3.35Å; Y464-C523 HydrophobicContact CE2-CB 4.5Å; Y464-C523 HydrophobicContact CG-CB 4.47Å; Y464-I527 HydrophobicContact CD1-CD1 4.05Å
465	E	98.4	Very high	97.5	Very high	122 Å²	122	33 Å²	33	57%	0.57	17%	0.171	S	C	*	.	H	α-helix	trans	-61.5	-47.2	172.6	-176.2	-179.9	172.5	0	0	111.4	N461 K462 E468 N469	N461-E465 PolarHBondContact O-N 2.79Å; K462-E465 PolarHBondContact O-N 2.91Å; E465-E468 PolarHBondContact O-N 3.46Å; E465-N469 PolarHBondContact O-N 3.09Å; E465-N469 PolarHBondContact O-ND2 3.44Å
466	L	98.7	Very high	97.5	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-62.7	-47	177	-175.3	145.9	0	0	0	111.4	Y385 H436 I439 K462 T463 N469 L470	Y385-L466 HydrophobicContact CE2-CG 4.09Å; H436-L466 HydrophobicContact CB-CD1 4.15Å; I439-L466 HydrophobicContact CD1-CD1 3.98Å; I439-L466 HydrophobicContact CD1-CD2 4.09Å; I439-L466 HydrophobicContact CD1-CG 4.49Å; K462-L466 WeakPolarHBondContact O-CB 3.16Å; K462-L466 PolarHBondContact O-N 3.2Å; T463-L466 PolarHBondContact O-N 2.83Å; L466-N469 PolarHBondContact O-N 3.06Å; L466-L470 HydrophobicContact CD2-CD2 4.49Å; L466-L470 VanDerWaalsContact O-CB 3.29Å; L466-L470 WeakPolarHBondContact O-CB 3.41Å; L466-L470 PolarHBondContact O-N 2.81Å
467	L	98.7	Very high	97.5	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-63.1	-41.9	179.3	-68.6	178.1	0	0	0	112.6	I425 L456 T463 Y464 N469 F471 F520 V524 I527	I425-L467 HydrophobicContact CD1-CD1 4.13Å; I425-L467 HydrophobicContact CD1-CD2 4.4Å; I425-L467 HydrophobicContact CG2-CD2 4.14Å; L456-L467 HydrophobicContact CD1-CD1 4.14Å; L456-L467 HydrophobicContact CD1-CD2 4.23Å; T463-L467 HydrophobicContact CG2-CD1 4.2Å; T463-L467 VanDerWaalsContact O-CG 3.27Å; T463-L467 WeakPolarHBondContact O-CG 3.31Å; T463-L467 PolarHBondContact O-N 3.33Å; Y464-L467 PolarHBondContact O-N 3.01Å; L467-N469 PolarHBondContact O-N 3.25Å; L467-F471 HydrophobicContact CB-CD2 4.39Å; L467-F471 HydrophobicContact CB-CE2 4.14Å; L467-F471 HydrophobicContact CD2-CE1 4.39Å; L467-F471 HydrophobicContact CD2-CE2 4.3Å; L467-F471 HydrophobicContact CD2-CZ 3.92Å; L467-F471 VanDerWaalsContact O-CB 3.22Å; L467-F471 WeakPolarHBondContact O-CB 3.49Å; L467-F471 WeakPolarHBondContact O-CD2 3.04Å; L467-F471 WeakPolarHBondContact O-CG 3.48Å; L467-F471 PolarHBondContact O-N 2.99Å; L467-F520 HydrophobicContact CD1-CE2 4.28Å; L467-F520 HydrophobicContact CD1-CZ 4.12Å; L467-V524 HydrophobicContact CD1-CG2 4.3Å; L467-I527 HydrophobicContact CB-CD1 4.41Å
468	E	98.5	Very high	97.6	Very high	61 Å²	61	38 Å²	38	29%	0.285	19%	0.193	S	C	.	.	H	α-helix	trans	-61.3	-46.2	177.4	-178.2	173	-171.4	0	0	111.3	Y464 E465 N472 I527 K534	Y464-E468 WeakPolarHBondContact O-CB 3.38Å; Y464-E468 PolarHBondContact O-N 3.24Å; E465-E468 PolarHBondContact O-N 3.46Å; E468-N472 VanDerWaalsContact O-CB 3.24Å; E468-N472 WeakPolarHBondContact O-CB 3.39Å; E468-N472 PolarHBondContact O-N 3.02Å; E468-I527 HydrophobicContact CB-CG1 4.46Å; E468-I527 HydrophobicContact CB-CG2 3.87Å; E468-I527 HydrophobicContact CG-CG2 4.16Å; E468-K534 IonicContact OE1-NZ 2.98Å; E468-K534 PolarHBondContact OE1-NZ 3.34Å
469	N	98.4	Very high	97.5	Very high	59 Å²	59	41.8 Å²	41.8	32%	0.316	21%	0.213	S	C	.	.	H	α-helix	trans	-67.7	-45	-179	-73.1	-25.7	0	0	0	112.1	V384 Y385 E465 L466 L467 N472 E473	V384-N469 HydrophobicContact CG1-CB 4.22Å; Y385-N469 HydrophobicContact CE2-CB 3.62Å; Y385-N469 WeakPolarHBondContact OH-CB 3.36Å; Y385-N469 PolarHBondContact OH-ND2 3.43Å; E465-N469 PolarHBondContact O-N 3.09Å; E465-N469 PolarHBondContact O-ND2 3.44Å; L466-N469 PolarHBondContact O-N 3.06Å; L467-N469 PolarHBondContact O-N 3.25Å; N469-N472 PolarHBondContact O-N 3.02Å; N469-E473 PolarHBondContact O-N 3.09Å
470	L	98.5	Very high	97.6	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.026	20%	0.199	C	C	.	.	H	α-helix	trans	-64.6	-47.8	178.1	-178.6	63.3	0	0	0	111.4	F378 Y380 L388 F423 L466 N472 E473 V474	F378-L470 HydrophobicContact CZ-CD2 4.24Å; Y380-L470 HydrophobicContact CD1-CD1 4.27Å; Y380-L470 HydrophobicContact CE1-CD1 3.8Å; L388-L470 HydrophobicContact CD1-CD1 4.16Å; L388-L470 HydrophobicContact CD1-CD2 4.35Å; F423-L470 HydrophobicContact CD1-CD2 4.46Å; L466-L470 HydrophobicContact CD2-CD2 4.49Å; L466-L470 VanDerWaalsContact O-CB 3.29Å; L466-L470 WeakPolarHBondContact O-CB 3.41Å; L466-L470 PolarHBondContact O-N 2.81Å; L470-N472 VanDerWaalsContact C-N 3.3Å; L470-N472 PolarHBondContact O-N 3.4Å; L470-E473 WeakPolarHBondContact O-CB 3.33Å; L470-E473 PolarHBondContact O-N 2.8Å; L470-E473 VanDerWaalsContact O-N 3.1Å; L470-V474 HydrophobicContact CD1-CG2 4.28Å; L470-V474 HydrophobicContact CG-CG2 4.3Å; L470-V474 WeakPolarHBondContact O-CG2 3.36Å; L470-V474 PolarHBondContact O-N 3.06Å
471	F	98.6	Very high	97.7	Very high	1 Å²	1	43.1 Å²	43.1	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-65.1	-34.7	179.2	-67.7	-18.6	0	0	0	112.7	F423 I425 L467 E473 V474 F475 L485 V524 I527 V528 I531	F423-F471 HydrophobicContact CB-CE1 4.36Å; I425-F471 HydrophobicContact CD1-CE2 4.16Å; I425-F471 HydrophobicContact CD1-CZ 3.74Å; L467-F471 HydrophobicContact CB-CD2 4.39Å; L467-F471 HydrophobicContact CB-CE2 4.14Å; L467-F471 HydrophobicContact CD2-CE1 4.39Å; L467-F471 HydrophobicContact CD2-CE2 4.3Å; L467-F471 HydrophobicContact CD2-CZ 3.92Å; L467-F471 VanDerWaalsContact O-CB 3.22Å; L467-F471 WeakPolarHBondContact O-CB 3.49Å; L467-F471 WeakPolarHBondContact O-CD2 3.04Å; L467-F471 WeakPolarHBondContact O-CG 3.48Å; L467-F471 PolarHBondContact O-N 2.99Å; F471-E473 PolarHBondContact O-N 3.37Å; F471-V474 PolarHBondContact O-N 3.35Å; F471-F475 HydrophobicContact CB-CE1 4.09Å; F471-F475 HydrophobicContact CB-CE2 4.08Å; F471-F475 HydrophobicContact CB-CZ 3.77Å; F471-F475 HydrophobicContact CG-CE1 4.41Å; F471-F475 HydrophobicContact CG-CZ 4.13Å; F471-F475 WeakPolarHBondContact O-CB 3.39Å; F471-F475 VanDerWaalsContact O-CD1 3.32Å; F471-F475 WeakPolarHBondContact O-CD1 3.34Å; F471-F475 WeakPolarHBondContact O-CD2 3.33Å; F471-F475 WeakPolarHBondContact O-CG 3.15Å; F471-F475 PolarHBondContact O-N 3.38Å; F471-L485 HydrophobicContact CE1-CD2 3.7Å; F471-L485 HydrophobicContact CE2-CD1 4.06Å; F471-L485 HydrophobicContact CE2-CD2 4.21Å; F471-L485 HydrophobicContact CZ-CD1 4.08Å; F471-L485 HydrophobicContact CZ-CD2 3.49Å; F471-L485 VanDerWaalsContact CZ-CD2 3.49Å; F471-L485 HydrophobicContact CZ-CG 4.44Å; F471-V524 HydrophobicContact CE2-CG1 4.43Å; F471-I527 HydrophobicContact CD2-CG2 4.26Å; F471-V528 HydrophobicContact CD2-CG2 4.42Å; F471-I531 HydrophobicContact CB-CD1 3.76Å
472	N	97.9	Very high	97.8	Very high	64 Å²	64	38.4 Å²	38.4	34%	0.342	19%	0.186	S	C	.	.	H	α-helix	trans	-61.1	-33.8	174.3	-176.1	65.5	0	0	0	112.3	E468 N469 L470 Q476 I531	E468-N472 VanDerWaalsContact O-CB 3.24Å; E468-N472 WeakPolarHBondContact O-CB 3.39Å; E468-N472 PolarHBondContact O-N 3.02Å; N469-N472 PolarHBondContact O-N 3.02Å; L470-N472 VanDerWaalsContact C-N 3.3Å; L470-N472 PolarHBondContact O-N 3.4Å; N472-Q476 WeakPolarHBondContact O-CG 3.44Å; N472-Q476 PolarHBondContact O-NE2 3.16Å; N472-I531 HydrophobicContact CB-CD1 4.31Å; N472-I531 HydrophobicContact CB-CG1 4.46Å
473	E	97.9	Very high	97.8	Very high	15 Å²	15	33 Å²	33	7%	0.07	16%	0.162	C	C	.	.	H	α-helix	trans	-74.7	-51.3	172.8	-179.4	-176.3	80.4	0	0	112.1	Y380 S382 D383 V384 N469 L470 F471 F475 Q476 L477	Y380-E473 WeakPolarHBondContact CE1-OE1 3.48Å; Y380-E473 PolarHBondContact OH-OE1 2.86Å; S382-E473 WeakPolarHBondContact CA-OE1 3.37Å; S382-E473 WeakPolarHBondContact CB-OE1 3.48Å; S382-E473 VanDerWaalsContact OG-CD 3.31Å; S382-E473 PolarHBondContact OG-OE1 3.19Å; S382-E473 PolarHBondContact OG-OE2 3.28Å; D383-E473 WeakPolarHBondContact CA-OE2 3.22Å; D383-E473 WeakPolarHBondContact CB-OE2 3.32Å; D383-E473 PolarHBondContact N-OE1 2.65Å; D383-E473 PolarHBondContact N-OE2 3.05Å; V384-E473 HydrophobicContact CG2-CB 4.41Å; V384-E473 WeakPolarHBondContact CG2-OE2 3.19Å; V384-E473 PolarHBondContact N-OE2 2.69Å; N469-E473 PolarHBondContact O-N 3.09Å; L470-E473 WeakPolarHBondContact O-CB 3.33Å; L470-E473 PolarHBondContact O-N 2.8Å; L470-E473 VanDerWaalsContact O-N 3.1Å; F471-E473 PolarHBondContact O-N 3.37Å; E473-F475 VanDerWaalsContact C-N 3.25Å; E473-F475 PolarHBondContact O-N 3.43Å; E473-Q476 WeakPolarHBondContact O-CB 3.46Å; E473-Q476 PolarHBondContact O-N 2.78Å; E473-L477 PolarHBondContact O-N 3.03Å
474	V	98.3	Very high	97.8	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-54.8	-42.7	-178.9	171.5	0	0	0	0	110.9	Y380 P421 F423 L470 F471 Q476 L477 F478	Y380-V474 HydrophobicContact CE1-CG2 4.11Å; Y380-V474 HydrophobicContact CE2-CG2 4.42Å; P421-V474 HydrophobicContact CG-CG1 4.23Å; F423-V474 HydrophobicContact CD2-CG1 4.06Å; F423-V474 HydrophobicContact CD2-CG2 4.38Å; F423-V474 HydrophobicContact CE1-CG2 4.09Å; F423-V474 HydrophobicContact CE2-CB 4.41Å; F423-V474 HydrophobicContact CE2-CG1 3.62Å; F423-V474 HydrophobicContact CE2-CG2 3.78Å; F423-V474 HydrophobicContact CZ-CG1 4.29Å; F423-V474 HydrophobicContact CZ-CG2 3.61Å; L470-V474 HydrophobicContact CD1-CG2 4.28Å; L470-V474 HydrophobicContact CG-CG2 4.3Å; L470-V474 WeakPolarHBondContact O-CG2 3.36Å; L470-V474 PolarHBondContact O-N 3.06Å; F471-V474 PolarHBondContact O-N 3.35Å; V474-Q476 PolarHBondContact O-N 2.75Å; V474-L477 PolarHBondContact O-N 3.07Å; V474-L477 VanDerWaalsContact O-N 3.09Å; V474-F478 HydrophobicContact CG1-CD2 3.79Å; V474-F478 HydrophobicContact CG1-CE2 4.28Å; V474-F478 PolarHBondContact O-N 2.94Å
475	F	98	Very high	97.8	Very high	3 Å²	3	31.9 Å²	31.9	1%	0.013	16%	0.158	C	C	.	.	H	α-helix	trans	-71.9	-7.9	-179.4	-58.6	-6.2	0	0	0	113.4	F471 E473 V483 V528 I531 S538 R540	F471-F475 HydrophobicContact CB-CE1 4.09Å; F471-F475 HydrophobicContact CB-CE2 4.08Å; F471-F475 HydrophobicContact CB-CZ 3.77Å; F471-F475 HydrophobicContact CG-CE1 4.41Å; F471-F475 HydrophobicContact CG-CZ 4.13Å; F471-F475 WeakPolarHBondContact O-CB 3.39Å; F471-F475 VanDerWaalsContact O-CD1 3.32Å; F471-F475 WeakPolarHBondContact O-CD1 3.34Å; F471-F475 WeakPolarHBondContact O-CD2 3.33Å; F471-F475 WeakPolarHBondContact O-CG 3.15Å; F471-F475 PolarHBondContact O-N 3.38Å; E473-F475 VanDerWaalsContact C-N 3.25Å; E473-F475 PolarHBondContact O-N 3.43Å; F475-V483 HydrophobicContact CE1-CB 4.02Å; F475-V483 HydrophobicContact CE1-CG1 3.71Å; F475-V483 HydrophobicContact CE1-CG2 4.07Å; F475-V483 HydrophobicContact CZ-CG1 3.89Å; F475-V528 HydrophobicContact CE2-CG1 4.15Å; F475-V528 HydrophobicContact CE2-CG2 4.35Å; F475-V528 HydrophobicContact CZ-CG1 4.39Å; F475-V528 HydrophobicContact CZ-CG2 4.17Å; F475-I531 HydrophobicContact CD2-CB 4.42Å; F475-I531 HydrophobicContact CD2-CD1 4.35Å; F475-I531 HydrophobicContact CD2-CG2 3.77Å; F475-I531 HydrophobicContact CE2-CD1 4.07Å; F475-I531 HydrophobicContact CE2-CG2 4.35Å; F475-S538 WeakPolarHBondContact CD2-O 3.3Å; F475-R540 HydrophobicContact CB-CG 4.17Å; F475-R540 HydrophobicContact CD1-CG 3.74Å; F475-R540 HydrophobicContact CD2-CB 4.29Å; F475-R540 HydrophobicContact CD2-CG 3.58Å; F475-R540 HydrophobicContact CE1-CG 4.02Å; F475-R540 HydrophobicContact CE2-CB 4.09Å; F475-R540 HydrophobicContact CE2-CG 3.85Å; F475-R540 HydrophobicContact CG-CG 3.55Å; F475-R540 HydrophobicContact CZ-CB 4.24Å; F475-R540 HydrophobicContact CZ-CG 4.07Å; F475-R540 PolarHBondContact O-NH2 3.42Å
476	Q	95.9	Very high	97.8	Very high	111 Å²	111	26 Å²	26	52%	0.519	13%	0.131	S	C	.	.	H	α-helix	trans	-89.6	-25.3	170.5	-67	172.5	48.5	0	0	112.2	N472 E473 V474	N472-Q476 WeakPolarHBondContact O-CG 3.44Å; N472-Q476 PolarHBondContact O-NE2 3.16Å; E473-Q476 WeakPolarHBondContact O-CB 3.46Å; E473-Q476 PolarHBondContact O-N 2.78Å; V474-Q476 PolarHBondContact O-N 2.75Å
477	L	96.7	Very high	97.6	Very high	14 Å²	14	25.9 Å²	25.9	7%	0.073	13%	0.131	C	C	.	.	H	α-helix	trans	-90.1	-41.3	-179.7	-61.4	179.3	0	0	0	112.5	Y380 I405 K406 E473 V474	Y380-L477 HydrophobicContact CE2-CD1 4.01Å; Y380-L477 WeakPolarHBondContact OH-CD1 3.44Å; I405-L477 HydrophobicContact CD1-CD1 4.06Å; I405-L477 HydrophobicContact CG2-CB 3.97Å; K406-L477 HydrophobicContact CD-CD2 4.47Å; K406-L477 VanDerWaalsContact CE-CD2 3.47Å; K406-L477 HydrophobicContact CG-CD2 4.32Å; E473-L477 PolarHBondContact O-N 3.03Å; V474-L477 PolarHBondContact O-N 3.07Å; V474-L477 VanDerWaalsContact O-N 3.09Å
478	F	97.8	Very high	97.5	Very high	3 Å²	3	26.2 Å²	26.2	1%	0.013	13%	0.132	C	C	.	.			trans	-96.2	119.4	179.3	-65.8	-86	0	0	0	110.4	W370 I372 Y380 I405 V409 V419 P421 F423 V474 R540	W370-F478 AromaticContact CE3-CE1 3.86Å; W370-F478 HydrophobicContact CE3-CE1 3.86Å; W370-F478 HydrophobicContact CE3-CZ 4.13Å; W370-F478 HydrophobicContact CZ3-CE1 4.07Å; W370-F478 HydrophobicContact CZ3-CZ 4.12Å; I372-F478 HydrophobicContact CD1-CE1 4.24Å; I372-F478 HydrophobicContact CD1-CE2 4.11Å; I372-F478 HydrophobicContact CD1-CZ 3.47Å; I372-F478 VanDerWaalsContact CD1-CZ 3.47Å; Y380-F478 HydrophobicContact CE2-CE2 4.38Å; I405-F478 HydrophobicContact CD1-CE2 4.31Å; I405-F478 HydrophobicContact CD1-CZ 4.27Å; I405-F478 HydrophobicContact CG1-CZ 4.37Å; I405-F478 HydrophobicContact CG2-CD1 4.34Å; I405-F478 HydrophobicContact CG2-CD2 4.34Å; I405-F478 HydrophobicContact CG2-CE1 3.78Å; I405-F478 HydrophobicContact CG2-CE2 3.8Å; I405-F478 HydrophobicContact CG2-CZ 3.47Å; I405-F478 VanDerWaalsContact CG2-CZ 3.47Å; V409-F478 HydrophobicContact CG2-CD1 4.13Å; V409-F478 HydrophobicContact CG2-CE1 4.44Å; V419-F478 HydrophobicContact CG1-CD1 4Å; V419-F478 HydrophobicContact CG1-CE1 3.91Å; P421-F478 HydrophobicContact CB-CD1 3.85Å; P421-F478 HydrophobicContact CB-CD2 3.87Å; P421-F478 HydrophobicContact CB-CE1 3.81Å; P421-F478 HydrophobicContact CB-CE2 3.81Å; P421-F478 HydrophobicContact CB-CG 3.88Å; P421-F478 HydrophobicContact CB-CZ 3.78Å; P421-F478 HydrophobicContact CG-CB 3.72Å; P421-F478 HydrophobicContact CG-CD1 3.74Å; P421-F478 HydrophobicContact CG-CD2 3.63Å; P421-F478 HydrophobicContact CG-CE1 4.23Å; P421-F478 HydrophobicContact CG-CE2 4.12Å; P421-F478 HydrophobicContact CG-CG 3.41Å; P421-F478 VanDerWaalsContact CG-CG 3.41Å; P421-F478 HydrophobicContact CG-CZ 4.4Å; F423-F478 HydrophobicContact CE2-CE2 4.44Å; V474-F478 HydrophobicContact CG1-CD2 3.79Å; V474-F478 HydrophobicContact CG1-CE2 4.28Å; V474-F478 PolarHBondContact O-N 2.94Å; F478-R540 PolarHBondContact O-NE 3.43Å; F478-R540 PolarHBondContact O-NH2 2.89Å
479	L	94.8	Very high	97.3	Very high	80 Å²	80	29.2 Å²	29.2	42%	0.419	15%	0.146	S	C	.	.			trans	-94.6	-4.6	-166.4	-55.5	-179.2	0	0	0	114.5	L273 V409	L273-L479 HydrophobicContact CD1-CB 4.31Å; L273-L479 HydrophobicContact CD1-CD1 4.4Å; L273-L479 HydrophobicContact CD2-CB 4.46Å; L273-L479 HydrophobicContact CD2-CD1 3.95Å; V409-L479 HydrophobicContact CG1-CD1 4.1Å; V409-L479 HydrophobicContact CG1-CG 4.18Å
480	D	97.3	Very high	97.1	Very high	13 Å²	13	27.6 Å²	27.6	7%	0.07	14%	0.139	C	C	.	.	S	Bend	trans	-67.5	152.2	176.5	-160.2	-91.1	0	0	0	111.1	R418 I420 Y482 R540	R418-D480 VanDerWaalsContact CB-OD2 3.31Å; R418-D480 WeakPolarHBondContact CB-OD2 3.39Å; R418-D480 WeakPolarHBondContact CG-OD2 3.28Å; R418-D480 IonicContact CZ-OD1 3.27Å; R418-D480 IonicContact CZ-OD2 2.88Å; R418-D480 IonicContact NE-OD1 2.83Å; R418-D480 IonicContact NE-OD2 2.77Å; R418-D480 PolarHBondContact NE-OD2 2.88Å; R418-D480 IonicContact NH2-OD1 2.81Å; R418-D480 PolarHBondContact NH2-OD1 3.36Å; R418-D480 IonicContact NH2-OD2 3.88Å; R418-D480 PolarHBondContact NH2-OD2 2.97Å; I420-D480 HydrophobicContact CG1-CB 4.17Å; D480-Y482 PolarHBondContact O-N 2.99Å; D480-Y482 VanDerWaalsContact O-N 3.16Å; D480-Y482 PolarHBondContact OD1-N 3.29Å; D480-R540 WeakPolarHBondContact O-CD 3.25Å; D480-R540 PolarHBondContact O-NE 2.89Å
481	D	95.7	Very high	96.8	Very high	83 Å²	83	30 Å²	30	44%	0.444	15%	0.15	S	C	.	.	S	Bend	trans	-69.3	-6.4	175.8	-70.1	-38.9	0	0	0	113	R540 N541	D481-R540 CarbonylContact O-C 3.57Å; D481-R540 WeakPolarHBondContact O-CA 3.32Å; D481-N541 PolarHBondContact O-N 3.15Å
482	Y	97.9	Very high	96.5	Very high	25 Å²	25	32 Å²	32	10%	0.098	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	150.1	-177.6	-67.7	-98.5	0	0	0	112.5	V276 D480 N541 I543 F560	V276-Y482 HydrophobicContact CG1-CE2 4.46Å; D480-Y482 PolarHBondContact O-N 2.99Å; D480-Y482 VanDerWaalsContact O-N 3.16Å; D480-Y482 PolarHBondContact OD1-N 3.29Å; Y482-N541 WeakPolarHBondContact CA-O 3.48Å; Y482-N541 HydrophobicContact CD1-CB 3.62Å; Y482-N541 HydrophobicContact CE1-CB 3.4Å; Y482-N541 HydrophobicContact CG-CB 4.31Å; Y482-I543 HydrophobicContact CD1-CD1 4.32Å; Y482-I543 HydrophobicContact CD1-CG1 3.82Å; Y482-I543 HydrophobicContact CG-CD1 4.37Å; Y482-I543 HydrophobicContact CG-CG1 4.27Å; Y482-F560 AromaticContact CD1-CD2 3.79Å; Y482-F560 HydrophobicContact CD1-CD2 3.79Å; Y482-F560 AromaticContact CD1-CE2 3.88Å; Y482-F560 HydrophobicContact CD1-CE2 3.88Å; Y482-F560 HydrophobicContact CD1-CG 4.33Å; Y482-F560 HydrophobicContact CD1-CZ 4.49Å; Y482-F560 HydrophobicContact CD2-CE2 4.33Å; Y482-F560 AromaticContact CE1-CD1 3.99Å; Y482-F560 HydrophobicContact CE1-CD1 3.99Å; Y482-F560 AromaticContact CE1-CD2 3.5Å; Y482-F560 HydrophobicContact CE1-CD2 3.5Å; Y482-F560 AromaticContact CE1-CE1 3.81Å; Y482-F560 HydrophobicContact CE1-CE1 3.81Å; Y482-F560 AromaticContact CE1-CE2 3.31Å; Y482-F560 HydrophobicContact CE1-CE2 3.31Å; Y482-F560 AromaticContact CE1-CG 3.85Å; Y482-F560 HydrophobicContact CE1-CG 3.85Å; Y482-F560 AromaticContact CE1-CZ 3.5Å; Y482-F560 HydrophobicContact CE1-CZ 3.5Å; Y482-F560 VanDerWaalsContact CE1-CZ 3.5Å; Y482-F560 AromaticContact CE2-CE2 3.84Å; Y482-F560 HydrophobicContact CE2-CE2 3.84Å; Y482-F560 HydrophobicContact CE2-CZ 4.03Å; Y482-F560 HydrophobicContact CG-CE2 4.37Å; Y482-F560 AromaticContact CZ-CE1 3.86Å; Y482-F560 AromaticContact CZ-CE2 3.32Å; Y482-F560 AromaticContact CZ-CZ 3.23Å; Y482-F560 WeakPolarHBondContact OH-CE1 3.37Å; Y482-F560 WeakPolarHBondContact OH-CZ 3.17Å
483	V	98.4	Very high	96.1	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	139	167.9	57.2	0	0	0	0	108.4	P421 F475 L485 R540 N541 L542 I543	P421-V483 HydrophobicContact CG-CG2 4.16Å; F475-V483 HydrophobicContact CE1-CB 4.02Å; F475-V483 HydrophobicContact CE1-CG1 3.71Å; F475-V483 HydrophobicContact CE1-CG2 4.07Å; F475-V483 HydrophobicContact CZ-CG1 3.89Å; V483-L485 HydrophobicContact CG1-CD2 4.48Å; V483-L485 HydrophobicContact CG1-CG 4.37Å; V483-L485 HydrophobicContact CG2-CD2 3.87Å; V483-L485 HydrophobicContact CG2-CG 4.42Å; V483-R540 HydrophobicContact CG1-CB 4.07Å; V483-R540 HydrophobicContact CG1-CG 4.5Å; V483-N541 PolarHBondContact N-O 2.93Å; V483-N541 VanDerWaalsContact N-O 3.08Å; V483-L542 HydrophobicContact CG1-CD2 3.78Å; V483-I543 PolarHBondContact O-N 2.95Å
484	H	98.8	Very high	95.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	130	171	-157.1	-71.5	0	0	0	108.9	H369 P421 E422 F423 G486 I543 W545 Q562	H369-H484 AromaticContact CE1-CD2 3.46Å; H369-H484 PolarHBondContact CE1-CD2 3.4Å; H369-H484 VanDerWaalsContact CE1-CD2 3.46Å; H369-H484 AromaticContact CE1-CG 3.74Å; H369-H484 AromaticContact NE2-CD2 3.65Å; H369-H484 AromaticContact NE2-CG 3.46Å; P421-H484 PolarHBondContact O-N 3.45Å; E422-H484 VanDerWaalsContact CA-O 3.28Å; E422-H484 WeakPolarHBondContact CA-O 3.49Å; E422-H484 HydrophobicContact CB-CB 3.77Å; E422-H484 HydrophobicContact CG-CB 3.91Å; E422-H484 IonicContact OE1-CE1 3.96Å; E422-H484 PolarHBondContact OE1-CE1 3.33Å; E422-H484 VanDerWaalsContact OE1-CE1 3.23Å; E422-H484 IonicContact OE1-CG 3.78Å; E422-H484 IonicContact OE1-ND1 3.06Å; E422-H484 PolarHBondContact OE1-ND1 3.36Å; F423-H484 PolarHBondContact N-O 2.94Å; F423-H484 VanDerWaalsContact N-O 3.13Å; H484-G486 WeakPolarHBondContact ND1-CA 3.04Å; H484-G486 PolarHBondContact ND1-N 2.95Å; H484-I543 WeakPolarHBondContact CA-O 3.42Å; H484-I543 HydrophobicContact CB-CB 4.26Å; H484-I543 VanDerWaalsContact CD2-CB 3.45Å; H484-I543 WeakPolarHBondContact CD2-CB 3.3Å; H484-I543 WeakPolarHBondContact CD2-CG2 3.49Å; H484-W545 AromaticContact CE1-CD1 3.6Å; H484-W545 AromaticContact CE1-CD2 3.71Å; H484-W545 AromaticContact CE1-CE2 3.47Å; H484-W545 VanDerWaalsContact CE1-CE2 3.47Å; H484-W545 AromaticContact CE1-CG 3.73Å; H484-W545 AromaticContact CE1-NE1 3.35Å; H484-W545 PolarHBondContact CE1-NE1 3.32Å; H484-W545 AromaticContact ND1-NE1 3.97Å; H484-W545 AromaticContact NE2-CD2 3.99Å; H484-W545 AromaticContact NE2-CE2 3.92Å; H484-Q562 PolarHBondContact NE2-OE1 3.12Å
485	L	98.6	Very high	95.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.			trans	-116.9	16.2	178	-63.7	-176.5	0	0	0	112.5	F423 I425 F471 V483 G487 W521 V524 V528 L542 I543 L544	F423-L485 HydrophobicContact CB-CD2 4.47Å; I425-L485 HydrophobicContact CD1-CB 4.48Å; I425-L485 HydrophobicContact CD1-CD1 4.38Å; I425-L485 HydrophobicContact CG1-CB 4.11Å; I425-L485 WeakPolarHBondContact CG1-O 3.49Å; I425-L485 PolarHBondContact N-O 3.36Å; I425-L485 VanDerWaalsContact N-O 3.09Å; I425-L485 VanDerWaalsContact O-O 3.09Å; F471-L485 HydrophobicContact CE1-CD2 3.7Å; F471-L485 HydrophobicContact CE2-CD1 4.06Å; F471-L485 HydrophobicContact CE2-CD2 4.21Å; F471-L485 HydrophobicContact CZ-CD1 4.08Å; F471-L485 HydrophobicContact CZ-CD2 3.49Å; F471-L485 VanDerWaalsContact CZ-CD2 3.49Å; F471-L485 HydrophobicContact CZ-CG 4.44Å; V483-L485 HydrophobicContact CG1-CD2 4.48Å; V483-L485 HydrophobicContact CG1-CG 4.37Å; V483-L485 HydrophobicContact CG2-CD2 3.87Å; V483-L485 HydrophobicContact CG2-CG 4.42Å; L485-G487 PolarHBondContact O-N 2.99Å; L485-W521 HydrophobicContact CB-CH2 4.02Å; L485-W521 HydrophobicContact CB-CZ3 4.24Å; L485-W521 HydrophobicContact CD1-CZ3 4.47Å; L485-V524 HydrophobicContact CD1-CG1 3.68Å; L485-V528 HydrophobicContact CD1-CG2 4.38Å; L485-L542 HydrophobicContact CD1-CD1 4.38Å; L485-L542 HydrophobicContact CD1-CD2 3.47Å; L485-L542 VanDerWaalsContact CD1-CD2 3.47Å; L485-L542 HydrophobicContact CG-CD2 4.01Å; L485-I543 PolarHBondContact N-O 3.33Å; L485-L544 HydrophobicContact CB-CD2 3.88Å
486	G	97.5	Very high	95.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.173	C	C	.	.			trans	61.9	-120.2	174.5	0	0	0	0	0	112.7	E422 D424 H484 W545	E422-G486 VanDerWaalsContact OE1-CA 3.24Å; E422-G486 WeakPolarHBondContact OE1-CA 3.38Å; D424-G486 VanDerWaalsContact OD1-CA 3.31Å; D424-G486 WeakPolarHBondContact OD1-CA 2.77Å; H484-G486 WeakPolarHBondContact ND1-CA 3.04Å; H484-G486 PolarHBondContact ND1-N 2.95Å; G486-W545 PolarHBondContact O-N 3.27Å
487	G	96.4	Very high	94.8	Very high	3 Å²	3	33.9 Å²	33.9	3%	0.031	17%	0.166	C	C	.	.			trans	95	16	175.9	0	0	0	0	0	114.7	D424 I425 L485 D547 V548	D424-G487 PolarHBondContact OD1-N 3.23Å; I425-G487 VanDerWaalsContact O-CA 3.22Å; I425-G487 WeakPolarHBondContact O-CA 3.3Å; I425-G487 PolarHBondContact O-N 2.93Å; L485-G487 PolarHBondContact O-N 2.99Å; G487-D547 WeakPolarHBondContact O-CB 3.41Å; G487-V548 WeakPolarHBondContact O-CG2 3.45Å
488	D	95.4	Very high	94.4	Very high	9 Å²	9	33.6 Å²	33.6	5%	0.048	17%	0.165	C	C	.	.			trans	-81.4	160	171.9	65.9	-57.4	0	0	0	112.4	D424 H428 V490 W545 W564	D424-D488 VanDerWaalsContact OD2-OD1 3.08Å; H428-D488 IonicContact CD2-OD1 2.61Å; H428-D488 PolarHBondContact CD2-OD1 3.05Å; H428-D488 IonicContact CD2-OD2 3.1Å; H428-D488 IonicContact CE1-OD2 3.58Å; H428-D488 IonicContact NE2-OD1 3.47Å; H428-D488 PolarHBondContact NE2-OD1 3.27Å; H428-D488 IonicContact NE2-OD2 2.75Å; H428-D488 PolarHBondContact NE2-OD2 3.47Å; D488-V490 WeakPolarHBondContact O-CG2 3.26Å; D488-V490 PolarHBondContact O-N 2.82Å; D488-W545 HydrophobicContact CB-CB 3.82Å; D488-W545 HydrophobicContact CB-CG 3.95Å; D488-W564 HydrophobicContact CB-CZ2 4.21Å
489	E	93.8	Very high	94	Very high	125 Å²	125	36.6 Å²	36.6	58%	0.584	18%	0.184	S	C	*	.	S	Bend	trans	50.5	26.6	167.8	-56.9	-165.6	147.7	0	0	116.1	H428 E491 D547 W564	H428-E489 IonicContact CE1-OE2 3.33Å; E489-E491 PolarHBondContact O-N 3.18Å; E489-D547 PolarHBondContact N-OD1 3.35Å; E489-W564 HydrophobicContact CG-CH2 4.11Å; E489-W564 HydrophobicContact CG-CZ2 4.04Å; E489-W564 WeakPolarHBondContact OE1-CH2 2.99Å
490	V	94.5	Very high	93.6	Very high	25 Å²	25	35.1 Å²	35.1	15%	0.152	19%	0.188	C	C	.	.			trans	-66.7	120.2	-176.4	-175.9	0	0	0	0	111	P426 P455 D488 T492 W495	P426-V490 HydrophobicContact CG-CG1 3.78Å; P426-V490 HydrophobicContact CG-CG2 3.9Å; P455-V490 HydrophobicContact CB-CG1 3.95Å; P455-V490 HydrophobicContact CG-CG1 4.28Å; D488-V490 WeakPolarHBondContact O-CG2 3.26Å; D488-V490 PolarHBondContact O-N 2.82Å; V490-T492 HydrophobicContact CB-CG2 4.09Å; V490-T492 HydrophobicContact CG1-CG2 3.66Å; V490-T492 PolarHBondContact O-N 3.24Å; V490-W495 HydrophobicContact CG1-CH2 4.2Å; V490-W495 HydrophobicContact CG1-CZ2 4.32Å
491	E	92.1	Very high	93.3	Very high	55 Å²	55	34.6 Å²	34.6	26%	0.257	19%	0.185	S	C	.	.			trans	-76.6	70	174.3	-166.5	175.4	-169.1	0	0	112	Y445 Y452 E489 I493 C494	Y445-E491 VanDerWaalsContact CZ-OE1 3.22Å; Y445-E491 PolarHBondContact OH-OE1 3.37Å; Y452-E491 PolarHBondContact OH-OE1 2.99Å; Y452-E491 PolarHBondContact OH-OE2 2.96Å; E489-E491 PolarHBondContact O-N 3.18Å; E491-I493 HydrophobicContact CG-CG2 3.74Å; E491-I493 PolarHBondContact O-N 3.29Å; E491-I493 VanDerWaalsContact O-N 3.16Å; E491-C494 WeakPolarHBondContact O-CB 3.49Å; E491-C494 PolarHBondContact O-N 2.86Å; E491-C494 VanDerWaalsContact O-N 3.14Å; E491-C494 PolarHBondContact O-SG 3.18Å
492	T	92.1	Very high	93	Very high	42 Å²	42	34.2 Å²	34.2	26%	0.258	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-20.9	-172.7	58.6	0	0	0	0	114.4	V490 C494 W495 I517	V490-T492 HydrophobicContact CB-CG2 4.09Å; V490-T492 HydrophobicContact CG1-CG2 3.66Å; V490-T492 PolarHBondContact O-N 3.24Å; T492-C494 PolarHBondContact O-N 3.29Å; T492-C494 VanDerWaalsContact O-N 3.16Å; T492-W495 HydrophobicContact CG2-CE3 4.15Å; T492-W495 HydrophobicContact CG2-CH2 4.2Å; T492-W495 HydrophobicContact CG2-CZ3 3.69Å; T492-W495 PolarHBondContact O-N 3.49Å; T492-W495 VanDerWaalsContact O-N 3.07Å; T492-I517 HydrophobicContact CG2-CD1 4.48Å
493	I	89.9	Confident	92.4	Very high	59 Å²	59	41.3 Å²	41.3	30%	0.303	22%	0.22	S	C	.	.	H	α-helix	trans	-60.4	-23.2	175.1	-170.1	60.8	0	0	0	112.3	E491 W495 E496 R497	E491-I493 HydrophobicContact CG-CG2 3.74Å; E491-I493 PolarHBondContact O-N 3.29Å; E491-I493 VanDerWaalsContact O-N 3.16Å; I493-W495 PolarHBondContact O-N 2.99Å; I493-E496 HydrophobicContact CD1-CB 4.3Å; I493-E496 HydrophobicContact CD1-CG 4.45Å; I493-E496 WeakPolarHBondContact CD1-OE2 3.39Å; I493-E496 PolarHBondContact O-N 3.37Å; I493-R497 PolarHBondContact O-N 3.49Å
494	C	91.2	Very high	91.7	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.02	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-32.9	175.1	-66.8	0	0	0	0	112.7	C443 P455 E491 T492 E496 R497 D498	C443-C494 HydrophobicContact CB-CB 4.07Å; C443-C494 WeakPolarHBondContact CB-SG 3.38Å; C443-C494 WeakPolarHBondContact SG-CB 3.3Å; C443-C494 CovalentContact SG-SG 2.01Å; C443-C494 PolarHBondContact SG-SG 2.7Å; P455-C494 HydrophobicContact CG-CB 4.33Å; E491-C494 WeakPolarHBondContact O-CB 3.49Å; E491-C494 PolarHBondContact O-N 2.86Å; E491-C494 VanDerWaalsContact O-N 3.14Å; E491-C494 PolarHBondContact O-SG 3.18Å; T492-C494 PolarHBondContact O-N 3.29Å; T492-C494 VanDerWaalsContact O-N 3.16Å; C494-E496 VanDerWaalsContact C-N 3.3Å; C494-E496 PolarHBondContact O-N 3.22Å; C494-R497 PolarHBondContact O-N 3.26Å; C494-D498 WeakPolarHBondContact O-CB 3.3Å; C494-D498 PolarHBondContact O-N 2.9Å
495	W	93.1	Very high	91	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	26%	0.255	C	S	.	.	H	α-helix	trans	-69.6	-29.6	179	-58	-33.5	0	0	0	113.1	P426 S441 P455 L456 P458 V490 T492 I493 R497 I501 W516 I517	P426-W495 HydrophobicContact CB-CZ2 4.2Å; P426-W495 HydrophobicContact CG-CH2 4.07Å; P426-W495 HydrophobicContact CG-CZ2 3.98Å; S441-W495 PolarHBondContact OG-NE1 3.14Å; S441-W495 VanDerWaalsContact OG-NE1 3.15Å; P455-W495 HydrophobicContact CB-CZ2 4.16Å; P455-W495 HydrophobicContact CG-CZ2 4.25Å; L456-W495 PolarHBondContact O-NE1 3.36Å; P458-W495 VanDerWaalsContact CD-CD1 3.49Å; P458-W495 HydrophobicContact CG-CD2 3.87Å; P458-W495 HydrophobicContact CG-CE3 4.44Å; P458-W495 HydrophobicContact CG-CG 4.03Å; P458-W495 HydrophobicContact CG-CZ2 4.17Å; V490-W495 HydrophobicContact CG1-CH2 4.2Å; V490-W495 HydrophobicContact CG1-CZ2 4.32Å; T492-W495 HydrophobicContact CG2-CE3 4.15Å; T492-W495 HydrophobicContact CG2-CH2 4.2Å; T492-W495 HydrophobicContact CG2-CZ3 3.69Å; T492-W495 PolarHBondContact O-N 3.49Å; T492-W495 VanDerWaalsContact O-N 3.07Å; I493-W495 PolarHBondContact O-N 2.99Å; W495-R497 VanDerWaalsContact C-N 3.26Å; W495-R497 PolarHBondContact O-N 2.85Å; W495-I501 HydrophobicContact CB-CD1 4.07Å; W495-I501 HydrophobicContact CG-CD1 4.23Å; W495-I501 WeakPolarHBondContact O-CG2 3.45Å; W495-W516 HydrophobicContact CB-CG 4.43Å; W495-W516 HydrophobicContact CD2-CB 4.04Å; W495-W516 HydrophobicContact CE3-CB 3.43Å; W495-W516 VanDerWaalsContact CE3-CB 3.43Å; W495-W516 HydrophobicContact CE3-CG 4.44Å; W495-W516 HydrophobicContact CZ3-CB 3.84Å; W495-I517 HydrophobicContact CH2-CB 4.29Å; W495-I517 HydrophobicContact CH2-CD1 3.72Å; W495-I517 HydrophobicContact CZ3-CB 3.82Å; W495-I517 HydrophobicContact CZ3-CD1 4.08Å
496	E	90.4	Very high	90.2	Very high	71 Å²	71	53.4 Å²	53.4	33%	0.332	29%	0.292	S	S	.	.	H	α-helix	trans	-76.9	-16.4	176.1	-53.4	-172.8	177.4	0	0	112.5	I493 C494 V502 S513	I493-E496 HydrophobicContact CD1-CB 4.3Å; I493-E496 HydrophobicContact CD1-CG 4.45Å; I493-E496 WeakPolarHBondContact CD1-OE2 3.39Å; I493-E496 PolarHBondContact O-N 3.37Å; C494-E496 VanDerWaalsContact C-N 3.3Å; C494-E496 PolarHBondContact O-N 3.22Å; E496-V502 WeakPolarHBondContact O-CG2 3.28Å; E496-S513 WeakPolarHBondContact OE1-CB 3.16Å; E496-S513 PolarHBondContact OE1-N 3.02Å; E496-S513 PolarHBondContact OE1-OG 2.98Å
497	R	87.6	Confident	89.5	Confident	100 Å²	100	58 Å²	58	38%	0.377	32%	0.317	S	S	.	.	H	α-helix	trans	-110.8	-17.2	-176.1	-65.7	-178.9	179.1	179.9	-0.3	113.8	I493 C494 W495 P499	I493-R497 PolarHBondContact O-N 3.49Å; C494-R497 PolarHBondContact O-N 3.26Å; W495-R497 VanDerWaalsContact C-N 3.26Å; W495-R497 PolarHBondContact O-N 2.85Å; R497-P499 VanDerWaalsContact O-CD 3.28Å; R497-P499 WeakPolarHBondContact O-CD 3.34Å
498	D	90.2	Very high	88.7	Confident	8 Å²	8	67.7 Å²	67.7	4%	0.043	35%	0.354	C	S	.	.			trans	-63.2	117.4	177.4	-176.7	-55.2	0	0	0	109.5	S441 Q442 C494 G500 I501 V502	S441-D498 WeakPolarHBondContact CA-OD2 3.34Å; Q442-D498 PolarHBondContact N-OD2 3.45Å; C494-D498 WeakPolarHBondContact O-CB 3.3Å; C494-D498 PolarHBondContact O-N 2.9Å; D498-G500 PolarHBondContact O-N 3.19Å; D498-G500 WeakPolarHBondContact OD1-CA 3.34Å; D498-G500 PolarHBondContact OD1-N 3.38Å; D498-I501 HydrophobicContact CB-CB 4.08Å; D498-I501 HydrophobicContact CB-CD1 3.9Å; D498-I501 HydrophobicContact CB-CG1 3.93Å; D498-I501 PolarHBondContact O-N 3.36Å; D498-I501 PolarHBondContact OD1-N 2.94Å; D498-I501 VanDerWaalsContact OD1-N 3.14Å; D498-V502 WeakPolarHBondContact O-CB 3.4Å; D498-V502 VanDerWaalsContact O-CG2 3.29Å; D498-V502 WeakPolarHBondContact O-CG2 3.45Å; D498-V502 PolarHBondContact O-N 2.85Å
499	P	87.6	Confident	88	Confident	65 Å²	65	72.8 Å²	72.8	42%	0.422	38%	0.381	S	S	.	.	H	α-helix	trans	-60	-33.3	-176.4	-24.9	34.7	0	0	0	113.8	R497 Q503	R497-P499 VanDerWaalsContact O-CD 3.28Å; R497-P499 WeakPolarHBondContact O-CD 3.34Å; P499-Q503 WeakPolarHBondContact O-CB 2.92Å; P499-Q503 PolarHBondContact O-N 3.06Å
500	G	87.5	Confident	87.5	Confident	49 Å²	49	68.5 Å²	68.5	51%	0.505	36%	0.361	S	S	.	.	H	α-helix	trans	-70.7	-39	179.3	0	0	0	0	0	112.1	D498 G504	D498-G500 PolarHBondContact O-N 3.19Å; D498-G500 WeakPolarHBondContact OD1-CA 3.34Å; D498-G500 PolarHBondContact OD1-N 3.38Å; G500-G504 PolarHBondContact O-N 3.35Å
501	I	91.4	Very high	86.9	Confident	2 Å²	2	70 Å²	70	1%	0.01	37%	0.372	C	S	.	.	H	α-helix	trans	-69.2	-49.5	174.5	-60.5	179.3	0	0	0	109.8	N457 A459 W495 D498 Q503 G504 V505 W516	N457-I501 WeakPolarHBondContact OD1-CD1 3.47Å; A459-I501 HydrophobicContact CB-CG1 3.97Å; A459-I501 HydrophobicContact CB-CG2 4.4Å; W495-I501 HydrophobicContact CB-CD1 4.07Å; W495-I501 HydrophobicContact CG-CD1 4.23Å; W495-I501 WeakPolarHBondContact O-CG2 3.45Å; D498-I501 HydrophobicContact CB-CB 4.08Å; D498-I501 HydrophobicContact CB-CD1 3.9Å; D498-I501 HydrophobicContact CB-CG1 3.93Å; D498-I501 PolarHBondContact O-N 3.36Å; D498-I501 PolarHBondContact OD1-N 2.94Å; D498-I501 VanDerWaalsContact OD1-N 3.14Å; I501-Q503 VanDerWaalsContact C-N 3.31Å; I501-Q503 PolarHBondContact O-N 2.96Å; I501-G504 PolarHBondContact O-N 3.11Å; I501-V505 PolarHBondContact O-N 3.11Å; I501-W516 HydrophobicContact CG2-CZ2 3.79Å
502	V	87.8	Confident	86.7	Confident	75 Å²	75	69.3 Å²	69.3	46%	0.455	37%	0.374	S	S	.	.	H	α-helix	trans	-59.6	-40.3	-178.4	172.7	0	0	0	0	111.8	E496 D498 G504 V505	E496-V502 WeakPolarHBondContact O-CG2 3.28Å; D498-V502 WeakPolarHBondContact O-CB 3.4Å; D498-V502 VanDerWaalsContact O-CG2 3.29Å; D498-V502 WeakPolarHBondContact O-CG2 3.45Å; D498-V502 PolarHBondContact O-N 2.85Å; V502-G504 VanDerWaalsContact C-N 3.26Å; V502-G504 PolarHBondContact O-N 2.92Å; V502-V505 PolarHBondContact O-N 2.86Å
503	Q	86.3	Confident	86.7	Confident	174 Å²	174	68.2 Å²	68.2	81%	0.813	37%	0.368	S	S	*	.	H	α-helix	trans	-68.5	-25.3	177.3	-172.3	175.6	11	0	0	113	P499 I501	P499-Q503 WeakPolarHBondContact O-CB 2.92Å; P499-Q503 PolarHBondContact O-N 3.06Å; I501-Q503 VanDerWaalsContact C-N 3.31Å; I501-Q503 PolarHBondContact O-N 2.96Å
504	G	84.1	Confident	86.7	Confident	49 Å²	49	70.5 Å²	70.5	51%	0.505	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-3.9	-179.8	0	0	0	0	0	115.2	G500 I501 V502 E506	G500-G504 PolarHBondContact O-N 3.35Å; I501-G504 PolarHBondContact O-N 3.11Å; V502-G504 VanDerWaalsContact C-N 3.26Å; V502-G504 PolarHBondContact O-N 2.92Å; G504-E506 PolarHBondContact O-N 3.35Å
505	V	82.6	Confident	86.8	Confident	38 Å²	38	73.2 Å²	73.2	23%	0.23	39%	0.392	C	S	.	.			trans	-64.7	112	178.8	171.8	0	0	0	0	110	I501 V502 N507 Q510 S511	I501-V505 PolarHBondContact O-N 3.11Å; V502-V505 PolarHBondContact O-N 2.86Å; V505-N507 WeakPolarHBondContact CG1-O 3.49Å; V505-Q510 HydrophobicContact CB-CB 4.39Å; V505-Q510 HydrophobicContact CG1-CB 3.98Å; V505-Q510 HydrophobicContact CG2-CB 4.19Å; V505-S511 WeakPolarHBondContact CG1-OG 2.99Å
506	E	82.6	Confident	86.8	Confident	168 Å²	168	74 Å²	74	79%	0.785	40%	0.395	S	S	*	.			trans	-90.3	-30.2	174.1	-66.6	-174.9	167.7	0	0	112.3	G504	G504-E506 PolarHBondContact O-N 3.35Å
507	N	82.8	Confident	87	Confident	98 Å²	98	71.1 Å²	71.1	52%	0.524	38%	0.381	S	S	.	.	S	Bend	trans	-125.6	146.3	-177.4	-64.2	-58.1	0	0	0	110.6	V505 D509 Q510	V505-N507 WeakPolarHBondContact CG1-O 3.49Å; N507-D509 PolarHBondContact O-N 3.05Å; N507-D509 VanDerWaalsContact O-N 3.13Å; N507-Q510 HydrophobicContact CB-CG 4.44Å; N507-Q510 WeakPolarHBondContact O-CB 3.34Å; N507-Q510 PolarHBondContact O-N 3Å
508	Y	79.4	Confident	87.3	Confident	205 Å²	205	67.7 Å²	67.7	80%	0.804	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-52.8	-38.8	-177.7	-176.8	-101.8	0	0	0	113.6	Q510 S511	Y508-Q510 PolarHBondContact O-N 2.92Å; Y508-S511 VanDerWaalsContact O-CB 3.32Å; Y508-S511 WeakPolarHBondContact O-CB 3.38Å; Y508-S511 PolarHBondContact O-N 3.17Å; Y508-S511 PolarHBondContact O-OG 3.42Å
509	D	80.5	Confident	87.5	Confident	116 Å²	116	70.3 Å²	70.3	62%	0.62	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-61.9	-28.4	179.5	-62.2	-21.8	0	0	0	112.9	N507 S511 S512 F515	N507-D509 PolarHBondContact O-N 3.05Å; N507-D509 VanDerWaalsContact O-N 3.13Å; D509-S511 PolarHBondContact O-N 2.98Å; D509-S512 WeakPolarHBondContact O-CB 3.48Å; D509-S512 PolarHBondContact O-N 2.8Å; D509-S512 VanDerWaalsContact O-N 3.11Å; D509-F515 HydrophobicContact CB-CD2 4.48Å; D509-F515 WeakPolarHBondContact O-CB 3.36Å
510	Q	83.3	Confident	87.9	Confident	35 Å²	35	67.2 Å²	67.2	16%	0.164	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-72	-6.8	177.3	-61.3	175.7	-8.5	0	0	112.8	V505 N507 Y508 S512 F515 W516	V505-Q510 HydrophobicContact CB-CB 4.39Å; V505-Q510 HydrophobicContact CG1-CB 3.98Å; V505-Q510 HydrophobicContact CG2-CB 4.19Å; N507-Q510 HydrophobicContact CB-CG 4.44Å; N507-Q510 WeakPolarHBondContact O-CB 3.34Å; N507-Q510 PolarHBondContact O-N 3Å; Y508-Q510 PolarHBondContact O-N 2.92Å; Q510-S512 VanDerWaalsContact C-N 3.25Å; Q510-F515 HydrophobicContact CB-CD1 4.26Å; Q510-F515 HydrophobicContact CB-CE1 4.21Å; Q510-F515 HydrophobicContact CG-CD1 4.1Å; Q510-F515 HydrophobicContact CG-CE1 3.66Å; Q510-F515 HydrophobicContact CG-CE2 4.18Å; Q510-F515 HydrophobicContact CG-CZ 3.7Å; Q510-W516 HydrophobicContact CB-CZ2 4.2Å; Q510-W516 PolarHBondContact O-NE1 3.42Å
511	S	81.8	Confident	88.3	Confident	56 Å²	56	64.9 Å²	64.9	39%	0.392	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-78.1	-10	169.4	-55.2	0	0	0	0	113	V505 Y508 D509	V505-S511 WeakPolarHBondContact CG1-OG 2.99Å; Y508-S511 VanDerWaalsContact O-CB 3.32Å; Y508-S511 WeakPolarHBondContact O-CB 3.38Å; Y508-S511 PolarHBondContact O-N 3.17Å; Y508-S511 PolarHBondContact O-OG 3.42Å; D509-S511 PolarHBondContact O-N 2.98Å
512	S	89.5	Confident	88.6	Confident	41 Å²	41	70.9 Å²	70.9	29%	0.287	36%	0.358	S	S	.	.	S	Bend	trans	-95.3	134.1	-176	-177.5	0	0	0	0	113.1	D509 Q510 I514 F515 W516	D509-S512 WeakPolarHBondContact O-CB 3.48Å; D509-S512 PolarHBondContact O-N 2.8Å; D509-S512 VanDerWaalsContact O-N 3.11Å; Q510-S512 VanDerWaalsContact C-N 3.25Å; S512-I514 PolarHBondContact O-N 3.44Å; S512-I514 PolarHBondContact OG-N 1.99Å; S512-F515 WeakPolarHBondContact O-CB 3.34Å; S512-F515 PolarHBondContact O-N 2.99Å; S512-F515 VanDerWaalsContact O-N 3.11Å; S512-W516 PolarHBondContact O-N 3.26Å
513	S	90.7	Very high	89	Confident	20 Å²	20	68.5 Å²	68.5	14%	0.14	35%	0.345	C	S	.	.	H	α-helix	trans	-51.5	-35.3	165.7	44.4	0	0	0	0	113.7	E496 F515 W516 I517	E496-S513 WeakPolarHBondContact OE1-CB 3.16Å; E496-S513 PolarHBondContact OE1-N 3.02Å; E496-S513 PolarHBondContact OE1-OG 2.98Å; S513-F515 PolarHBondContact O-N 3.42Å; S513-W516 PolarHBondContact O-N 2.84Å; S513-I517 PolarHBondContact O-N 2.85Å
514	I	90.3	Very high	89.6	Confident	106 Å²	106	60.2 Å²	60.2	54%	0.544	31%	0.306	S	S	.	.	H	α-helix	trans	-65.7	-38.9	178.8	-62.4	174.3	0	0	0	111.1	S512 W516 I517 N518	S512-I514 PolarHBondContact O-N 3.44Å; S512-I514 PolarHBondContact OG-N 1.99Å; I514-W516 VanDerWaalsContact C-N 3.35Å; I514-I517 WeakPolarHBondContact O-CG2 3.21Å; I514-N518 PolarHBondContact O-N 2.89Å; I514-N518 PolarHBondContact O-ND2 3.49Å
515	F	92.3	Very high	90.2	Very high	61 Å²	61	59.2 Å²	59.2	27%	0.268	29%	0.288	S	S	.	.	H	α-helix	trans	-61.2	-48.7	173.9	170	-88.3	0	0	0	110	D509 Q510 S512 S513 N518 Y519	D509-F515 HydrophobicContact CB-CD2 4.48Å; D509-F515 WeakPolarHBondContact O-CB 3.36Å; Q510-F515 HydrophobicContact CB-CD1 4.26Å; Q510-F515 HydrophobicContact CB-CE1 4.21Å; Q510-F515 HydrophobicContact CG-CD1 4.1Å; Q510-F515 HydrophobicContact CG-CE1 3.66Å; Q510-F515 HydrophobicContact CG-CE2 4.18Å; Q510-F515 HydrophobicContact CG-CZ 3.7Å; S512-F515 WeakPolarHBondContact O-CB 3.34Å; S512-F515 PolarHBondContact O-N 2.99Å; S512-F515 VanDerWaalsContact O-N 3.11Å; S513-F515 PolarHBondContact O-N 3.42Å; F515-N518 PolarHBondContact O-N 2.89Å; F515-Y519 HydrophobicContact CE1-CD2 4.47Å; F515-Y519 HydrophobicContact CE1-CG 4.42Å; F515-Y519 HydrophobicContact CZ-CD2 4.22Å; F515-Y519 VanDerWaalsContact O-CB 3.31Å; F515-Y519 WeakPolarHBondContact O-CB 3.48Å; F515-Y519 PolarHBondContact O-N 3.09Å
516	W	93.4	Very high	90.9	Very high	18 Å²	18	61.5 Å²	61.5	7%	0.068	30%	0.299	C	S	.	.	H	α-helix	trans	-68.2	-38.7	-174.9	-74.5	120.1	0	0	0	113.9	P458 A459 W495 I501 Q510 S512 S513 I514 N518 Y519 F520	P458-W516 HydrophobicContact CB-CB 4.46Å; P458-W516 HydrophobicContact CB-CD2 4.46Å; P458-W516 HydrophobicContact CB-CE3 3.82Å; P458-W516 HydrophobicContact CG-CB 3.81Å; P458-W516 HydrophobicContact CG-CD2 3.86Å; P458-W516 HydrophobicContact CG-CE3 3.69Å; P458-W516 HydrophobicContact CG-CG 3.93Å; A459-W516 HydrophobicContact CB-CH2 3.7Å; A459-W516 HydrophobicContact CB-CZ2 4.22Å; A459-W516 HydrophobicContact CB-CZ3 4.02Å; W495-W516 HydrophobicContact CB-CG 4.43Å; W495-W516 HydrophobicContact CD2-CB 4.04Å; W495-W516 HydrophobicContact CE3-CB 3.43Å; W495-W516 VanDerWaalsContact CE3-CB 3.43Å; W495-W516 HydrophobicContact CE3-CG 4.44Å; W495-W516 HydrophobicContact CZ3-CB 3.84Å; I501-W516 HydrophobicContact CG2-CZ2 3.79Å; Q510-W516 HydrophobicContact CB-CZ2 4.2Å; Q510-W516 PolarHBondContact O-NE1 3.42Å; S512-W516 PolarHBondContact O-N 3.26Å; S513-W516 PolarHBondContact O-N 2.84Å; I514-W516 VanDerWaalsContact C-N 3.35Å; W516-N518 PolarHBondContact O-N 3.33Å; W516-Y519 HydrophobicContact CE3-CD1 4.01Å; W516-Y519 HydrophobicContact CE3-CG 4.31Å; W516-Y519 AromaticContact CZ3-CD1 3.95Å; W516-Y519 HydrophobicContact CZ3-CD1 3.95Å; W516-Y519 HydrophobicContact CZ3-CE1 4.28Å; W516-Y519 HydrophobicContact CZ3-CG 4.35Å; W516-Y519 PolarHBondContact O-N 3.31Å; W516-F520 VanDerWaalsContact O-CB 3.27Å; W516-F520 WeakPolarHBondContact O-CB 3.16Å; W516-F520 PolarHBondContact O-N 2.89Å
517	I	94.5	Very high	91.7	Very high	10 Å²	10	54 Å²	54	5%	0.051	26%	0.264	C	S	.	.	H	α-helix	trans	-64.6	-41.8	176.1	-165.9	63.7	0	0	0	110.9	P426 T492 W495 S513 I514 W521 H551 V552	P426-I517 HydrophobicContact CG-CD1 4.35Å; T492-I517 HydrophobicContact CG2-CD1 4.48Å; W495-I517 HydrophobicContact CH2-CB 4.29Å; W495-I517 HydrophobicContact CH2-CD1 3.72Å; W495-I517 HydrophobicContact CZ3-CB 3.82Å; W495-I517 HydrophobicContact CZ3-CD1 4.08Å; S513-I517 PolarHBondContact O-N 2.85Å; I514-I517 WeakPolarHBondContact O-CG2 3.21Å; I517-W521 VanDerWaalsContact O-CD1 3.28Å; I517-W521 PolarHBondContact O-N 2.82Å; I517-W521 VanDerWaalsContact O-N 3.12Å; I517-H551 HydrophobicContact CG2-CB 4.19Å; I517-V552 HydrophobicContact CG1-CG2 3.97Å; I517-V552 HydrophobicContact CG2-CG2 4.47Å
518	N	94.2	Very high	92.4	Very high	27 Å²	27	49.6 Å²	49.6	14%	0.144	24%	0.241	C	C	.	.	H	α-helix	trans	-67.7	-41.8	176.7	-81.6	-86.3	0	0	0	111.6	I514 F515 W516 R522 H551 V552 T553	I514-N518 PolarHBondContact O-N 2.89Å; I514-N518 PolarHBondContact O-ND2 3.49Å; F515-N518 PolarHBondContact O-N 2.89Å; W516-N518 PolarHBondContact O-N 3.33Å; N518-R522 WeakPolarHBondContact O-CB 3.47Å; N518-R522 PolarHBondContact O-N 2.91Å; N518-H551 PolarHBondContact ND2-O 3.39Å; N518-V552 WeakPolarHBondContact OD1-CA 3.41Å; N518-T553 PolarHBondContact OD1-N 2.92Å
519	Y	94	Very high	93.2	Very high	64 Å²	64	43 Å²	43	25%	0.251	22%	0.222	S	C	.	.	H	α-helix	trans	-59.7	-49.3	175.4	-178.5	-93.4	0	0	0	111.3	P458 Y464 F515 W516 W521 R522 C523	P458-Y519 WeakPolarHBondContact O-CE1 3.48Å; Y464-Y519 AromaticContact CE2-CE1 3.98Å; Y464-Y519 HydrophobicContact CE2-CE1 3.98Å; Y464-Y519 AromaticContact CZ-CE1 4Å; Y464-Y519 WeakPolarHBondContact OH-CD1 3.29Å; Y464-Y519 WeakPolarHBondContact OH-CE1 3.47Å; F515-Y519 HydrophobicContact CE1-CD2 4.47Å; F515-Y519 HydrophobicContact CE1-CG 4.42Å; F515-Y519 HydrophobicContact CZ-CD2 4.22Å; F515-Y519 VanDerWaalsContact O-CB 3.31Å; F515-Y519 WeakPolarHBondContact O-CB 3.48Å; F515-Y519 PolarHBondContact O-N 3.09Å; W516-Y519 HydrophobicContact CE3-CD1 4.01Å; W516-Y519 HydrophobicContact CE3-CG 4.31Å; W516-Y519 AromaticContact CZ3-CD1 3.95Å; W516-Y519 HydrophobicContact CZ3-CD1 3.95Å; W516-Y519 HydrophobicContact CZ3-CE1 4.28Å; W516-Y519 HydrophobicContact CZ3-CG 4.35Å; W516-Y519 PolarHBondContact O-N 3.31Å; Y519-W521 PolarHBondContact O-N 3.25Å; Y519-R522 VanDerWaalsContact CD2-NH2 3.27Å; Y519-R522 PolarHBondContact O-N 3.03Å; Y519-C523 PolarHBondContact O-N 3.47Å; Y519-C523 PolarHBondContact O-SG 3.36Å; Y519-C523 VanDerWaalsContact O-SG 3.34Å
520	F	96.5	Very high	94.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-56.6	-53.6	179.6	-178	-93.4	0	0	0	111.8	I425 P426 L456 P458 T463 Y464 L467 W516 R522 C523 V524	I425-F520 HydrophobicContact CB-CE1 4.42Å; I425-F520 HydrophobicContact CB-CZ 4.17Å; I425-F520 HydrophobicContact CD1-CE1 4.03Å; I425-F520 HydrophobicContact CD1-CZ 3.91Å; I425-F520 HydrophobicContact CG1-CE1 4.35Å; I425-F520 HydrophobicContact CG1-CZ 4.39Å; P426-F520 HydrophobicContact CB-CD1 4.23Å; P426-F520 HydrophobicContact CB-CD2 4.48Å; P426-F520 HydrophobicContact CB-CE1 3.77Å; P426-F520 HydrophobicContact CB-CE2 4.05Å; P426-F520 HydrophobicContact CB-CZ 3.68Å; P426-F520 HydrophobicContact CG-CD1 4.07Å; P426-F520 HydrophobicContact CG-CE1 3.93Å; P426-F520 HydrophobicContact CG-CZ 4.36Å; L456-F520 HydrophobicContact CB-CE2 4.15Å; L456-F520 HydrophobicContact CD1-CE2 4.23Å; L456-F520 HydrophobicContact CD1-CZ 4.08Å; P458-F520 HydrophobicContact CB-CB 4.12Å; P458-F520 HydrophobicContact CB-CD2 4.12Å; T463-F520 HydrophobicContact CG2-CE2 4.26Å; Y464-F520 AromaticContact CE1-CD2 3.99Å; Y464-F520 HydrophobicContact CE1-CD2 3.99Å; Y464-F520 HydrophobicContact CE1-CE2 4.24Å; L467-F520 HydrophobicContact CD1-CE2 4.28Å; L467-F520 HydrophobicContact CD1-CZ 4.12Å; W516-F520 VanDerWaalsContact O-CB 3.27Å; W516-F520 WeakPolarHBondContact O-CB 3.16Å; W516-F520 PolarHBondContact O-N 2.89Å; F520-R522 VanDerWaalsContact C-N 3.32Å; F520-R522 PolarHBondContact O-N 3.36Å; F520-C523 WeakPolarHBondContact O-CB 3.31Å; F520-C523 PolarHBondContact O-N 3.04Å; F520-C523 VanDerWaalsContact O-N 3.12Å; F520-V524 HydrophobicContact CD1-CG2 4.04Å; F520-V524 HydrophobicContact CE1-CG2 3.61Å; F520-V524 HydrophobicContact CE2-CG2 4.35Å; F520-V524 HydrophobicContact CZ-CG2 3.77Å; F520-V524 WeakPolarHBondContact O-CG2 3.41Å; F520-V524 PolarHBondContact O-N 3.02Å
521	W	97.2	Very high	94.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.1	-29.1	-178.5	-79.1	109.1	0	0	0	113.6	I425 L485 I517 Y519 V524 Q525 L544 V548 V552	I425-W521 HydrophobicContact CG1-CH2 4.3Å; I425-W521 WeakPolarHBondContact O-CZ2 3.47Å; L485-W521 HydrophobicContact CB-CH2 4.02Å; L485-W521 HydrophobicContact CB-CZ3 4.24Å; L485-W521 HydrophobicContact CD1-CZ3 4.47Å; I517-W521 VanDerWaalsContact O-CD1 3.28Å; I517-W521 PolarHBondContact O-N 2.82Å; I517-W521 VanDerWaalsContact O-N 3.12Å; Y519-W521 PolarHBondContact O-N 3.25Å; W521-V524 HydrophobicContact CE3-CB 4.18Å; W521-V524 HydrophobicContact CE3-CG1 4.09Å; W521-V524 HydrophobicContact CZ3-CB 4.44Å; W521-V524 HydrophobicContact CZ3-CG1 3.9Å; W521-Q525 WeakPolarHBondContact O-CB 3.19Å; W521-Q525 VanDerWaalsContact O-CG 3.28Å; W521-Q525 WeakPolarHBondContact O-CG 3.36Å; W521-Q525 PolarHBondContact O-N 2.95Å; W521-Q525 PolarHBondContact O-NE2 3.3Å; W521-L544 HydrophobicContact CE3-CD1 4.23Å; W521-L544 HydrophobicContact CE3-CD2 4.31Å; W521-L544 HydrophobicContact CH2-CD1 4.4Å; W521-L544 HydrophobicContact CH2-CD2 3.25Å; W521-L544 HydrophobicContact CH2-CG 4.44Å; W521-L544 HydrophobicContact CZ2-CD2 4.08Å; W521-L544 HydrophobicContact CZ3-CD1 4.08Å; W521-L544 HydrophobicContact CZ3-CD2 3.38Å; W521-L544 HydrophobicContact CZ3-CG 4.4Å; W521-V548 HydrophobicContact CD2-CG1 3.8Å; W521-V548 HydrophobicContact CG-CG1 3.84Å; W521-V548 HydrophobicContact CH2-CG2 4.47Å; W521-V548 HydrophobicContact CZ2-CG1 4.21Å; W521-V548 HydrophobicContact CZ2-CG2 3.62Å; W521-V552 HydrophobicContact CB-CG1 4.06Å; W521-V552 HydrophobicContact CB-CG2 4.25Å; W521-V552 HydrophobicContact CG-CG2 4.11Å
522	R	96.2	Very high	95.4	Very high	128 Å²	128	36.5 Å²	36.5	48%	0.483	18%	0.184	S	C	.	.	H	α-helix	trans	-64.7	-43.9	170.3	-175.8	174.2	63.9	-147.5	0.6	111.4	N518 Y519 F520 N526	N518-R522 WeakPolarHBondContact O-CB 3.47Å; N518-R522 PolarHBondContact O-N 2.91Å; Y519-R522 VanDerWaalsContact CD2-NH2 3.27Å; Y519-R522 PolarHBondContact O-N 3.03Å; F520-R522 VanDerWaalsContact C-N 3.32Å; F520-R522 PolarHBondContact O-N 3.36Å; R522-N526 WeakPolarHBondContact O-CB 3.09Å; R522-N526 PolarHBondContact O-N 2.87Å; R522-N526 VanDerWaalsContact O-N 3.09Å
523	C	97.6	Very high	95.8	Very high	24 Å²	24	41.3 Å²	41.3	16%	0.162	20%	0.2	C	C	.	.	H	α-helix	trans	-63.6	-46.9	176.7	-69.1	0	0	0	0	111.6	Y464 Y519 F520 N526 I527	Y464-C523 HydrophobicContact CD1-CB 3.75Å; Y464-C523 HydrophobicContact CE1-CB 3.35Å; Y464-C523 HydrophobicContact CE2-CB 4.5Å; Y464-C523 HydrophobicContact CG-CB 4.47Å; Y519-C523 PolarHBondContact O-N 3.47Å; Y519-C523 PolarHBondContact O-SG 3.36Å; Y519-C523 VanDerWaalsContact O-SG 3.34Å; F520-C523 WeakPolarHBondContact O-CB 3.31Å; F520-C523 PolarHBondContact O-N 3.04Å; F520-C523 VanDerWaalsContact O-N 3.12Å; C523-N526 WeakPolarHBondContact O-CB 3.25Å; C523-N526 PolarHBondContact O-N 2.67Å; C523-I527 WeakPolarHBondContact O-CG1 3.09Å; C523-I527 PolarHBondContact O-N 2.75Å
524	V	98.1	Very high	96.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.2	-47.7	178.3	172	0	0	0	0	111.9	I425 L467 F471 L485 F520 W521 N526 I527 V528	I425-V524 HydrophobicContact CD1-CG1 4.13Å; I425-V524 HydrophobicContact CD1-CG2 3.97Å; L467-V524 HydrophobicContact CD1-CG2 4.3Å; F471-V524 HydrophobicContact CE2-CG1 4.43Å; L485-V524 HydrophobicContact CD1-CG1 3.68Å; F520-V524 HydrophobicContact CD1-CG2 4.04Å; F520-V524 HydrophobicContact CE1-CG2 3.61Å; F520-V524 HydrophobicContact CE2-CG2 4.35Å; F520-V524 HydrophobicContact CZ-CG2 3.77Å; F520-V524 WeakPolarHBondContact O-CG2 3.41Å; F520-V524 PolarHBondContact O-N 3.02Å; W521-V524 HydrophobicContact CE3-CB 4.18Å; W521-V524 HydrophobicContact CE3-CG1 4.09Å; W521-V524 HydrophobicContact CZ3-CB 4.44Å; W521-V524 HydrophobicContact CZ3-CG1 3.9Å; V524-N526 VanDerWaalsContact C-N 3.26Å; V524-N526 PolarHBondContact O-N 3.18Å; V524-I527 WeakPolarHBondContact O-CB 3.43Å; V524-I527 PolarHBondContact O-N 2.93Å; V524-I527 VanDerWaalsContact O-N 3.17Å; V524-V528 HydrophobicContact CG1-CG2 4.49Å; V524-V528 WeakPolarHBondContact O-CG2 3.28Å; V524-V528 PolarHBondContact O-N 3.26Å
525	Q	97.4	Very high	96.3	Very high	28 Å²	28	44.8 Å²	44.8	13%	0.131	21%	0.211	C	C	.	.	H	α-helix	trans	-59	-38.5	175.9	-76.7	-179	97.1	0	0	112	W521 T529 L542 D554	W521-Q525 WeakPolarHBondContact O-CB 3.19Å; W521-Q525 VanDerWaalsContact O-CG 3.28Å; W521-Q525 WeakPolarHBondContact O-CG 3.36Å; W521-Q525 PolarHBondContact O-N 2.95Å; W521-Q525 PolarHBondContact O-NE2 3.3Å; Q525-T529 VanDerWaalsContact O-CB 3.29Å; Q525-T529 WeakPolarHBondContact O-CB 3.39Å; Q525-T529 PolarHBondContact O-N 2.87Å; Q525-T529 PolarHBondContact O-OG1 3.16Å; Q525-L542 HydrophobicContact CG-CD1 3.98Å; Q525-D554 PolarHBondContact NE2-O 3.42Å
526	N	97.5	Very high	96.4	Very high	86 Å²	86	47 Å²	47	46%	0.46	23%	0.231	S	C	.	.	H	α-helix	trans	-65.7	-46.5	175.4	-177.8	52.9	0	0	0	111.3	R522 C523 V524 V528 T529 Q530	R522-N526 WeakPolarHBondContact O-CB 3.09Å; R522-N526 PolarHBondContact O-N 2.87Å; R522-N526 VanDerWaalsContact O-N 3.09Å; C523-N526 WeakPolarHBondContact O-CB 3.25Å; C523-N526 PolarHBondContact O-N 2.67Å; V524-N526 VanDerWaalsContact C-N 3.26Å; V524-N526 PolarHBondContact O-N 3.18Å; N526-V528 PolarHBondContact O-N 2.92Å; N526-T529 WeakPolarHBondContact O-CB 3.14Å; N526-T529 PolarHBondContact O-N 3.12Å; N526-Q530 VanDerWaalsContact O-CG 3.28Å; N526-Q530 WeakPolarHBondContact O-CG 3.44Å; N526-Q530 PolarHBondContact O-N 3.36Å; N526-Q530 PolarHBondContact OD1-NE2 2.62Å
527	I	98.3	Very high	96.4	Very high	11 Å²	11	54 Å²	54	6%	0.056	27%	0.265	C	S	.	.	H	α-helix	trans	-52.7	-54	176.2	-71.6	167.9	0	0	0	110.5	Y464 L467 E468 F471 C523 V524 T529 Q530 I531	Y464-I527 HydrophobicContact CD1-CD1 4.05Å; L467-I527 HydrophobicContact CB-CD1 4.41Å; E468-I527 HydrophobicContact CB-CG1 4.46Å; E468-I527 HydrophobicContact CB-CG2 3.87Å; E468-I527 HydrophobicContact CG-CG2 4.16Å; F471-I527 HydrophobicContact CD2-CG2 4.26Å; C523-I527 WeakPolarHBondContact O-CG1 3.09Å; C523-I527 PolarHBondContact O-N 2.75Å; V524-I527 WeakPolarHBondContact O-CB 3.43Å; V524-I527 PolarHBondContact O-N 2.93Å; V524-I527 VanDerWaalsContact O-N 3.17Å; I527-T529 VanDerWaalsContact C-N 3.3Å; I527-T529 PolarHBondContact O-N 2.9Å; I527-Q530 PolarHBondContact O-N 3.13Å; I527-Q530 VanDerWaalsContact O-N 3.09Å; I527-I531 HydrophobicContact CG2-CD1 3.79Å; I527-I531 HydrophobicContact CG2-CG1 4.5Å; I527-I531 WeakPolarHBondContact O-CG1 3.27Å; I527-I531 PolarHBondContact O-N 2.85Å
528	V	97.8	Very high	96.4	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.03	26%	0.263	C	S	.	.	H	α-helix	trans	-60.1	-42	-178.7	174.4	0	0	0	0	111.1	F471 F475 L485 V524 N526 G532 R540 L542	F471-V528 HydrophobicContact CD2-CG2 4.42Å; F475-V528 HydrophobicContact CE2-CG1 4.15Å; F475-V528 HydrophobicContact CE2-CG2 4.35Å; F475-V528 HydrophobicContact CZ-CG1 4.39Å; F475-V528 HydrophobicContact CZ-CG2 4.17Å; L485-V528 HydrophobicContact CD1-CG2 4.38Å; V524-V528 HydrophobicContact CG1-CG2 4.49Å; V524-V528 WeakPolarHBondContact O-CG2 3.28Å; V524-V528 PolarHBondContact O-N 3.26Å; N526-V528 PolarHBondContact O-N 2.92Å; V528-G532 PolarHBondContact O-N 3.13Å; V528-G532 VanDerWaalsContact O-N 3.16Å; V528-R540 HydrophobicContact CG1-CB 4.25Å; V528-L542 HydrophobicContact CG1-CD2 4.08Å; V528-L542 HydrophobicContact CG2-CD2 4.03Å
529	T	96.9	Very high	96.5	Very high	66 Å²	66	58.5 Å²	58.5	41%	0.405	28%	0.283	S	S	.	.	H	α-helix	trans	-63.6	-41.8	175.9	-61.6	0	0	0	0	112.1	Q525 N526 I527 G532 K533	Q525-T529 VanDerWaalsContact O-CB 3.29Å; Q525-T529 WeakPolarHBondContact O-CB 3.39Å; Q525-T529 PolarHBondContact O-N 2.87Å; Q525-T529 PolarHBondContact O-OG1 3.16Å; N526-T529 WeakPolarHBondContact O-CB 3.14Å; N526-T529 PolarHBondContact O-N 3.12Å; I527-T529 VanDerWaalsContact C-N 3.3Å; I527-T529 PolarHBondContact O-N 2.9Å; T529-G532 PolarHBondContact O-N 3.4Å; T529-K533 HydrophobicContact CG2-CD 4.25Å; T529-K533 WeakPolarHBondContact O-CG 3.43Å; T529-K533 PolarHBondContact O-N 2.82Å
530	Q	97.8	Very high	96.6	Very high	61 Å²	61	56.3 Å²	56.3	29%	0.285	27%	0.274	S	S	.	.	H	α-helix	trans	-70.3	-39.8	-179.5	-66.6	-53.6	-32	0	0	111.9	N526 I527 G532 K533 K534	N526-Q530 VanDerWaalsContact O-CG 3.28Å; N526-Q530 WeakPolarHBondContact O-CG 3.44Å; N526-Q530 PolarHBondContact O-N 3.36Å; N526-Q530 PolarHBondContact OD1-NE2 2.62Å; I527-Q530 PolarHBondContact O-N 3.13Å; I527-Q530 VanDerWaalsContact O-N 3.09Å; Q530-G532 VanDerWaalsContact C-N 3.32Å; Q530-G532 PolarHBondContact O-N 2.72Å; Q530-K533 PolarHBondContact O-N 3.13Å; Q530-K534 WeakPolarHBondContact O-CB 3.22Å; Q530-K534 VanDerWaalsContact O-CG 3.32Å; Q530-K534 WeakPolarHBondContact O-CG 3.49Å; Q530-K534 PolarHBondContact O-N 3.44Å
531	I	97.8	Very high	96.6	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-56.8	-49.1	173.5	-66.6	165.4	0	0	0	109.7	F471 N472 F475 I527 K533 K534 N535	F471-I531 HydrophobicContact CB-CD1 3.76Å; N472-I531 HydrophobicContact CB-CD1 4.31Å; N472-I531 HydrophobicContact CB-CG1 4.46Å; F475-I531 HydrophobicContact CD2-CB 4.42Å; F475-I531 HydrophobicContact CD2-CD1 4.35Å; F475-I531 HydrophobicContact CD2-CG2 3.77Å; F475-I531 HydrophobicContact CE2-CD1 4.07Å; F475-I531 HydrophobicContact CE2-CG2 4.35Å; I527-I531 HydrophobicContact CG2-CD1 3.79Å; I527-I531 HydrophobicContact CG2-CG1 4.5Å; I527-I531 WeakPolarHBondContact O-CG1 3.27Å; I527-I531 PolarHBondContact O-N 2.85Å; I531-K533 VanDerWaalsContact C-N 3.32Å; I531-K533 PolarHBondContact O-N 2.75Å; I531-K534 PolarHBondContact O-N 3.32Å; I531-N535 PolarHBondContact O-N 2.87Å
532	G	96.4	Very high	96.7	Very high	9 Å²	9	58.6 Å²	58.6	9%	0.093	29%	0.287	C	S	.	.	H	α-helix	trans	-65.1	-29.5	177.7	0	0	0	0	0	114.9	V528 T529 Q530 N535 P536	V528-G532 PolarHBondContact O-N 3.13Å; V528-G532 VanDerWaalsContact O-N 3.16Å; T529-G532 PolarHBondContact O-N 3.4Å; Q530-G532 VanDerWaalsContact C-N 3.32Å; Q530-G532 PolarHBondContact O-N 2.72Å; G532-N535 CarbonylContact O-C 3.58Å; G532-P536 WeakPolarHBondContact O-CA 3.48Å
533	K	96.5	Very high	96.8	Very high	142 Å²	142	52.6 Å²	52.6	62%	0.617	26%	0.264	S	S	*	.	H	α-helix	trans	-72.9	-40.7	173	-77.8	175.8	179	174.9	0	112.2	T529 Q530 I531	T529-K533 HydrophobicContact CG2-CD 4.25Å; T529-K533 WeakPolarHBondContact O-CG 3.43Å; T529-K533 PolarHBondContact O-N 2.82Å; Q530-K533 PolarHBondContact O-N 3.13Å; I531-K533 VanDerWaalsContact C-N 3.32Å; I531-K533 PolarHBondContact O-N 2.75Å
534	K	96.8	Very high	96.8	Very high	146 Å²	146	51.5 Å²	51.5	64%	0.635	26%	0.256	S	S	*	.	H	α-helix	trans	-68.2	-42.1	177.8	-71.3	172.3	-177.1	175.3	0	110.9	E468 Q530 I531	E468-K534 IonicContact OE1-NZ 2.98Å; E468-K534 PolarHBondContact OE1-NZ 3.34Å; Q530-K534 WeakPolarHBondContact O-CB 3.22Å; Q530-K534 VanDerWaalsContact O-CG 3.32Å; Q530-K534 WeakPolarHBondContact O-CG 3.49Å; Q530-K534 PolarHBondContact O-N 3.44Å; I531-K534 PolarHBondContact O-N 3.32Å
535	N	95.8	Very high	96.7	Very high	53 Å²	53	51.6 Å²	51.6	28%	0.283	26%	0.257	S	S	.	.			trans	-132.2	103.7	176.4	-177.1	4.1	0	0	0	110.9	I531 G532 Q537 S538 K539	I531-N535 PolarHBondContact O-N 2.87Å; G532-N535 CarbonylContact O-C 3.58Å; N535-Q537 PolarHBondContact O-N 3.47Å; N535-Q537 VanDerWaalsContact O-N 3.11Å; N535-Q537 PolarHBondContact OD1-N 3.33Å; N535-Q537 VanDerWaalsContact OD1-N 3.14Å; N535-S538 PolarHBondContact ND2-OG 2.87Å; N535-S538 VanDerWaalsContact ND2-OG 3.07Å; N535-S538 WeakPolarHBondContact O-CA 2.87Å; N535-S538 PolarHBondContact O-N 2.74Å; N535-K539 PolarHBondContact O-N 3.41Å
536	P	94.1	Very high	96.5	Very high	106 Å²	106	50.4 Å²	50.4	69%	0.688	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-55.9	-28	179	-28.4	36.1	0	0	0	115	G532 S538 K539	G532-P536 WeakPolarHBondContact O-CA 3.48Å; P536-S538 VanDerWaalsContact C-N 3.27Å; P536-S538 PolarHBondContact O-N 3.35Å; P536-K539 WeakPolarHBondContact O-CB 3.24Å; P536-K539 PolarHBondContact O-N 3.27Å
537	Q	92.2	Very high	96.3	Very high	166 Å²	166	47 Å²	47	78%	0.776	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-71.5	-22.9	176.4	-64.8	-176.5	-20.3	0	0	112.8	N535 R540	N535-Q537 PolarHBondContact O-N 3.47Å; N535-Q537 VanDerWaalsContact O-N 3.11Å; N535-Q537 PolarHBondContact OD1-N 3.33Å; N535-Q537 VanDerWaalsContact OD1-N 3.14Å; Q537-R540 PolarHBondContact O-NH1 3.37Å
538	S	95.5	Very high	96.1	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.014	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-97.1	12.3	176.9	-58.5	0	0	0	0	112.5	F475 N535 P536 R540	F475-S538 WeakPolarHBondContact CD2-O 3.3Å; N535-S538 PolarHBondContact ND2-OG 2.87Å; N535-S538 VanDerWaalsContact ND2-OG 3.07Å; N535-S538 WeakPolarHBondContact O-CA 2.87Å; N535-S538 PolarHBondContact O-N 2.74Å; P536-S538 VanDerWaalsContact C-N 3.27Å; P536-S538 PolarHBondContact O-N 3.35Å; S538-R540 VanDerWaalsContact C-NH1 3.28Å; S538-R540 PolarHBondContact O-N 2.91Å
539	K	96.2	Very high	95.7	Very high	130 Å²	130	46.3 Å²	46.3	57%	0.565	23%	0.23	S	C	*	.			trans	-64.1	124.4	174	-176.7	-177.8	177.8	-175.2	0	109.8	N535 P536	N535-K539 PolarHBondContact O-N 3.41Å; P536-K539 WeakPolarHBondContact O-CB 3.24Å; P536-K539 PolarHBondContact O-N 3.27Å
540	R	96.5	Very high	95.2	Very high	17 Å²	17	47 Å²	47	6%	0.064	23%	0.228	C	C	.	.			trans	-126.6	149.6	176.5	-60.4	-63.3	173.9	-92.1	6.5	111.5	F475 F478 D480 D481 V483 V528 Q537 S538	F475-R540 HydrophobicContact CB-CG 4.17Å; F475-R540 HydrophobicContact CD1-CG 3.74Å; F475-R540 HydrophobicContact CD2-CB 4.29Å; F475-R540 HydrophobicContact CD2-CG 3.58Å; F475-R540 HydrophobicContact CE1-CG 4.02Å; F475-R540 HydrophobicContact CE2-CB 4.09Å; F475-R540 HydrophobicContact CE2-CG 3.85Å; F475-R540 HydrophobicContact CG-CG 3.55Å; F475-R540 HydrophobicContact CZ-CB 4.24Å; F475-R540 HydrophobicContact CZ-CG 4.07Å; F475-R540 PolarHBondContact O-NH2 3.42Å; F478-R540 PolarHBondContact O-NE 3.43Å; F478-R540 PolarHBondContact O-NH2 2.89Å; D480-R540 WeakPolarHBondContact O-CD 3.25Å; D480-R540 PolarHBondContact O-NE 2.89Å; D481-R540 CarbonylContact O-C 3.57Å; D481-R540 WeakPolarHBondContact O-CA 3.32Å; V483-R540 HydrophobicContact CG1-CB 4.07Å; V483-R540 HydrophobicContact CG1-CG 4.5Å; V528-R540 HydrophobicContact CG1-CB 4.25Å; Q537-R540 PolarHBondContact O-NH1 3.37Å; S538-R540 VanDerWaalsContact C-NH1 3.28Å; S538-R540 PolarHBondContact O-N 2.91Å
541	N	96.6	Very high	94.6	Very high	39 Å²	39	49.2 Å²	49.2	21%	0.209	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	161.5	161.5	-62.9	-74.2	0	0	0	108.9	D481 Y482 V483 S558	D481-N541 PolarHBondContact O-N 3.15Å; Y482-N541 WeakPolarHBondContact CA-O 3.48Å; Y482-N541 HydrophobicContact CD1-CB 3.62Å; Y482-N541 HydrophobicContact CE1-CB 3.4Å; Y482-N541 HydrophobicContact CG-CB 4.31Å; V483-N541 PolarHBondContact N-O 2.93Å; V483-N541 VanDerWaalsContact N-O 3.08Å; N541-S558 PolarHBondContact OD1-OG 2.99Å
542	L	97.9	Very high	94.2	Very high	10 Å²	10	49.4 Å²	49.4	5%	0.052	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	145.2	-176.6	-60.2	-176.3	0	0	0	111.5	V483 L485 Q525 V528 L544 L559 F560	V483-L542 HydrophobicContact CG1-CD2 3.78Å; L485-L542 HydrophobicContact CD1-CD1 4.38Å; L485-L542 HydrophobicContact CD1-CD2 3.47Å; L485-L542 VanDerWaalsContact CD1-CD2 3.47Å; L485-L542 HydrophobicContact CG-CD2 4.01Å; Q525-L542 HydrophobicContact CG-CD1 3.98Å; V528-L542 HydrophobicContact CG1-CD2 4.08Å; V528-L542 HydrophobicContact CG2-CD2 4.03Å; L542-L544 HydrophobicContact CB-CG 4.35Å; L542-L559 HydrophobicContact CB-CB 4.09Å; L542-L559 CarbonylContact O-C 3.6Å; L542-L559 VanDerWaalsContact O-CA 3.24Å; L542-L559 WeakPolarHBondContact O-CA 3.43Å; L542-L559 VanDerWaalsContact O-CB 3.29Å; L542-L559 WeakPolarHBondContact O-CB 3.34Å; L542-F560 PolarHBondContact O-N 3.24Å
543	I	98.3	Very high	93.6	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.9	156.1	-44.5	-177.5	0	0	0	106.5	I420 Y482 V483 H484 L485 F560 Q562 I579	I420-I543 HydrophobicContact CD1-CD1 3.99Å; I420-I543 HydrophobicContact CG2-CD1 4.1Å; Y482-I543 HydrophobicContact CD1-CD1 4.32Å; Y482-I543 HydrophobicContact CD1-CG1 3.82Å; Y482-I543 HydrophobicContact CG-CD1 4.37Å; Y482-I543 HydrophobicContact CG-CG1 4.27Å; V483-I543 PolarHBondContact O-N 2.95Å; H484-I543 WeakPolarHBondContact CA-O 3.42Å; H484-I543 HydrophobicContact CB-CB 4.26Å; H484-I543 VanDerWaalsContact CD2-CB 3.45Å; H484-I543 WeakPolarHBondContact CD2-CB 3.3Å; H484-I543 WeakPolarHBondContact CD2-CG2 3.49Å; L485-I543 PolarHBondContact N-O 3.33Å; I543-F560 WeakPolarHBondContact CA-O 3.36Å; I543-F560 HydrophobicContact CD1-CD2 4.4Å; I543-F560 HydrophobicContact CG1-CB 4.21Å; I543-F560 HydrophobicContact CG1-CD2 4.37Å; I543-F560 HydrophobicContact CG2-CB 4.14Å; I543-Q562 HydrophobicContact CG2-CB 4.28Å; I543-I579 HydrophobicContact CD1-CD1 3.91Å; I543-I579 HydrophobicContact CG2-CD1 3.95Å
544	L	97.7	Very high	93.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	146.9	-178.7	-59.5	175.9	0	0	0	109.4	L485 W521 L542 V548 L555 L559 F560 V561 Q562	L485-L544 HydrophobicContact CB-CD2 3.88Å; W521-L544 HydrophobicContact CE3-CD1 4.23Å; W521-L544 HydrophobicContact CE3-CD2 4.31Å; W521-L544 HydrophobicContact CH2-CD1 4.4Å; W521-L544 HydrophobicContact CH2-CD2 3.25Å; W521-L544 HydrophobicContact CH2-CG 4.44Å; W521-L544 HydrophobicContact CZ2-CD2 4.08Å; W521-L544 HydrophobicContact CZ3-CD1 4.08Å; W521-L544 HydrophobicContact CZ3-CD2 3.38Å; W521-L544 HydrophobicContact CZ3-CG 4.4Å; L542-L544 HydrophobicContact CB-CG 4.35Å; L544-V548 HydrophobicContact CB-CB 4.37Å; L544-V548 HydrophobicContact CB-CG2 4.17Å; L544-V548 HydrophobicContact CD1-CB 4.23Å; L544-V548 HydrophobicContact CD1-CG1 3.97Å; L544-V548 HydrophobicContact CD1-CG2 4.42Å; L544-L555 HydrophobicContact CD1-CD2 4.27Å; L544-L559 HydrophobicContact CD1-CD2 3.98Å; L544-F560 PolarHBondContact N-O 2.92Å; L544-F560 VanDerWaalsContact N-O 3.1Å; L544-V561 WeakPolarHBondContact O-CA 3.31Å; L544-Q562 PolarHBondContact O-N 3.5Å
545	W	96.5	Very high	93	Very high	3 Å²	3	45.9 Å²	45.9	1%	0.011	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	153	166.9	-64.7	122.2	0	0	0	110.3	M340 H369 E422 H484 G486 D488 D547 V548 Q562 W564 W623	M340-W545 HydrophobicContact CE-CH2 4.34Å; M340-W545 HydrophobicContact CE-CZ2 4.34Å; H369-W545 AromaticContact CE1-CZ2 3.92Å; E422-W545 PolarHBondContact OE1-NE1 3.45Å; H484-W545 AromaticContact CE1-CD1 3.6Å; H484-W545 AromaticContact CE1-CD2 3.71Å; H484-W545 AromaticContact CE1-CE2 3.47Å; H484-W545 VanDerWaalsContact CE1-CE2 3.47Å; H484-W545 AromaticContact CE1-CG 3.73Å; H484-W545 AromaticContact CE1-NE1 3.35Å; H484-W545 PolarHBondContact CE1-NE1 3.32Å; H484-W545 AromaticContact ND1-NE1 3.97Å; H484-W545 AromaticContact NE2-CD2 3.99Å; H484-W545 AromaticContact NE2-CE2 3.92Å; G486-W545 PolarHBondContact O-N 3.27Å; D488-W545 HydrophobicContact CB-CB 3.82Å; D488-W545 HydrophobicContact CB-CG 3.95Å; W545-D547 PolarHBondContact O-N 3.43Å; W545-D547 VanDerWaalsContact O-N 3.13Å; W545-V548 PolarHBondContact O-N 3.07Å; W545-Q562 HydrophobicContact CE3-CB 3.72Å; W545-Q562 HydrophobicContact CE3-CG 3.76Å; W545-Q562 VanDerWaalsContact CH2-CD 3.45Å; W545-Q562 HydrophobicContact CH2-CG 4.03Å; W545-Q562 HydrophobicContact CZ3-CB 3.83Å; W545-Q562 HydrophobicContact CZ3-CG 3.31Å; W545-W564 HydrophobicContact CE3-CB 4.08Å; W545-W564 AromaticContact CE3-CD1 3.72Å; W545-W564 HydrophobicContact CE3-CG 4.17Å; W545-W564 HydrophobicContact CZ3-CB 4.08Å; W545-W623 HydrophobicContact CH2-CZ2 4.45Å; W545-W623 HydrophobicContact CZ2-CH2 4.17Å; W545-W623 HydrophobicContact CZ2-CZ2 4.14Å
546	E	94.2	Very high	92.7	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.009	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-26.4	-171.2	72.4	-175.8	122.7	0	0	115.3	V548 V549 E550 V561 Q562 V563 W564 K565 H571	E546-V548 PolarHBondContact O-N 3.38Å; E546-V548 VanDerWaalsContact O-N 3.15Å; E546-V549 PolarHBondContact O-N 3.23Å; E546-E550 PolarHBondContact O-N 3.29Å; E546-V561 HydrophobicContact CB-CG1 3.99Å; E546-Q562 PolarHBondContact N-O 3.44Å; E546-V563 HydrophobicContact CB-CG1 4.17Å; E546-W564 PolarHBondContact OE1-N 2.87Å; E546-K565 HydrophobicContact CG-CD 4.3Å; E546-K565 HydrophobicContact CG-CG 4.39Å; E546-K565 WeakPolarHBondContact OE1-CA 3.39Å; E546-K565 VanDerWaalsContact OE1-CB 3.29Å; E546-K565 WeakPolarHBondContact OE1-CB 3.32Å; E546-K565 WeakPolarHBondContact OE1-CG 3.42Å; E546-K565 PolarHBondContact OE1-N 3.09Å; E546-H571 IonicContact OE2-CD2 3.91Å; E546-H571 PolarHBondContact OE2-CD2 3.47Å; E546-H571 IonicContact OE2-CE1 3.41Å; E546-H571 IonicContact OE2-NE2 2.7Å; E546-H571 PolarHBondContact OE2-NE2 2.79Å
547	D	93.2	Very high	92.6	Very high	14 Å²	14	47.4 Å²	47.4	8%	0.075	23%	0.234	C	C	.	.	H	α-helix	trans	-48.2	-40.4	176.1	-65	-111.3	0	0	0	112.7	G487 E489 W545 V549 E550 H551 W564 K565	G487-D547 WeakPolarHBondContact O-CB 3.41Å; E489-D547 PolarHBondContact N-OD1 3.35Å; W545-D547 PolarHBondContact O-N 3.43Å; W545-D547 VanDerWaalsContact O-N 3.13Å; D547-V549 VanDerWaalsContact C-N 3.29Å; D547-V549 PolarHBondContact O-N 3.46Å; D547-E550 WeakPolarHBondContact O-CB 3.46Å; D547-E550 PolarHBondContact O-N 2.87Å; D547-H551 PolarHBondContact O-CD2 3.07Å; D547-H551 VanDerWaalsContact O-CD2 3.29Å; D547-W564 PolarHBondContact OD2-NE1 2.79Å; D547-K565 WeakPolarHBondContact OD1-CE 3.32Å; D547-K565 IonicContact OD1-NZ 3.7Å; D547-K565 PolarHBondContact OD1-NZ 3.37Å; D547-K565 WeakPolarHBondContact OD2-CE 3.41Å; D547-K565 IonicContact OD2-NZ 2.8Å; D547-K565 PolarHBondContact OD2-NZ 2.84Å
548	V	93.8	Very high	92.5	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.012	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-38.7	-178.8	-172.3	0	0	0	0	110.9	G487 W521 L544 W545 E546 E550 H551 V552 L555	G487-V548 WeakPolarHBondContact O-CG2 3.45Å; W521-V548 HydrophobicContact CD2-CG1 3.8Å; W521-V548 HydrophobicContact CG-CG1 3.84Å; W521-V548 HydrophobicContact CH2-CG2 4.47Å; W521-V548 HydrophobicContact CZ2-CG1 4.21Å; W521-V548 HydrophobicContact CZ2-CG2 3.62Å; L544-V548 HydrophobicContact CB-CB 4.37Å; L544-V548 HydrophobicContact CB-CG2 4.17Å; L544-V548 HydrophobicContact CD1-CB 4.23Å; L544-V548 HydrophobicContact CD1-CG1 3.97Å; L544-V548 HydrophobicContact CD1-CG2 4.42Å; W545-V548 PolarHBondContact O-N 3.07Å; E546-V548 PolarHBondContact O-N 3.38Å; E546-V548 VanDerWaalsContact O-N 3.15Å; V548-E550 VanDerWaalsContact C-N 3.27Å; V548-E550 PolarHBondContact O-N 2.85Å; V548-H551 PolarHBondContact O-N 3.02Å; V548-V552 HydrophobicContact CG1-CB 4.13Å; V548-V552 HydrophobicContact CG1-CG2 3.72Å; V548-V552 VanDerWaalsContact O-CB 3.25Å; V548-V552 WeakPolarHBondContact O-CB 3.46Å; V548-V552 WeakPolarHBondContact O-CG2 3.22Å; V548-V552 PolarHBondContact O-N 3.3Å; V548-L555 HydrophobicContact CG1-CD1 4.12Å; V548-L555 HydrophobicContact CG1-CD2 4.24Å
549	V	89.9	Confident	92.5	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-75.1	-19.8	-177.9	-174	0	0	0	0	112.2	E546 D547 H551 L555 V561 K574 F576	E546-V549 PolarHBondContact O-N 3.23Å; D547-V549 VanDerWaalsContact C-N 3.29Å; D547-V549 PolarHBondContact O-N 3.46Å; V549-H551 VanDerWaalsContact C-N 3.32Å; V549-L555 HydrophobicContact CB-CD1 4.38Å; V549-L555 HydrophobicContact CG2-CD1 3.79Å; V549-V561 HydrophobicContact CG2-CB 4.42Å; V549-V561 HydrophobicContact CG2-CG1 3.91Å; V549-V561 HydrophobicContact CG2-CG2 3.58Å; V549-K574 HydrophobicContact CG1-CD 3.81Å; V549-K574 PolarHBondContact O-NZ 3.11Å; V549-F576 HydrophobicContact CG1-CD2 3.97Å; V549-F576 HydrophobicContact CG1-CE2 3.6Å; V549-F576 HydrophobicContact CG1-CZ 4.42Å
550	E	85.4	Confident	92.4	Very high	81 Å²	81	35.9 Å²	35.9	38%	0.379	19%	0.187	S	C	.	.	H	α-helix	trans	-69.6	-32.3	174	-63.4	-179.6	154.2	0	0	111.4	E546 D547 V548 K565	E546-E550 PolarHBondContact O-N 3.29Å; D547-E550 WeakPolarHBondContact O-CB 3.46Å; D547-E550 PolarHBondContact O-N 2.87Å; V548-E550 VanDerWaalsContact C-N 3.27Å; V548-E550 PolarHBondContact O-N 2.85Å; E550-K565 IonicContact OE1-NZ 2.7Å; E550-K565 IonicContact OE2-NZ 3.28Å; E550-K565 PolarHBondContact OE2-NZ 3.22Å
551	H	84.8	Confident	92.4	Very high	106 Å²	106	35.1 Å²	35.1	49%	0.491	18%	0.184	S	C	.	.	H	α-helix	trans	-116	-21.6	-171	-58.4	-58.5	0	0	0	115.3	I517 N518 D547 V548 V549	I517-H551 HydrophobicContact CG2-CB 4.19Å; N518-H551 PolarHBondContact ND2-O 3.39Å; D547-H551 PolarHBondContact O-CD2 3.07Å; D547-H551 VanDerWaalsContact O-CD2 3.29Å; V548-H551 PolarHBondContact O-N 3.02Å; V549-H551 VanDerWaalsContact C-N 3.32Å
552	V	89.7	Confident	92.4	Very high	7 Å²	7	33.2 Å²	33.2	4%	0.042	17%	0.174	C	C	.	.			trans	-106.7	124.5	-175.4	-173.4	0	0	0	0	111	I517 N518 W521 V548 L555	I517-V552 HydrophobicContact CG1-CG2 3.97Å; I517-V552 HydrophobicContact CG2-CG2 4.47Å; N518-V552 WeakPolarHBondContact OD1-CA 3.41Å; W521-V552 HydrophobicContact CB-CG1 4.06Å; W521-V552 HydrophobicContact CB-CG2 4.25Å; W521-V552 HydrophobicContact CG-CG2 4.11Å; V548-V552 HydrophobicContact CG1-CB 4.13Å; V548-V552 HydrophobicContact CG1-CG2 3.72Å; V548-V552 VanDerWaalsContact O-CB 3.25Å; V548-V552 WeakPolarHBondContact O-CB 3.46Å; V548-V552 WeakPolarHBondContact O-CG2 3.22Å; V548-V552 PolarHBondContact O-N 3.3Å; V552-L555 HydrophobicContact CB-CD1 4.18Å; V552-L555 HydrophobicContact CB-CD2 4.26Å; V552-L555 HydrophobicContact CB-CG 4.04Å; V552-L555 HydrophobicContact CG1-CD1 4.45Å; V552-L555 HydrophobicContact CG1-CD2 3.76Å; V552-L555 HydrophobicContact CG1-CG 3.76Å
553	T	84.5	Confident	92.2	Very high	109 Å²	109	32.8 Å²	32.8	67%	0.669	17%	0.171	S	C	*	.	S	Bend	trans	-88.1	-33.4	-177.7	56.5	0	0	0	0	112.9	N518 L555	N518-T553 PolarHBondContact OD1-N 2.92Å; T553-L555 VanDerWaalsContact C-N 3.35Å; T553-L555 PolarHBondContact O-N 3.38Å
554	D	86.7	Confident	92	Very high	105 Å²	105	35 Å²	35	56%	0.561	18%	0.18	S	C	*	.			trans	-98.9	50.9	-166.1	-62.4	-3.2	0	0	0	111.8	Q525	Q525-D554 PolarHBondContact NE2-O 3.42Å
555	L	93	Very high	91.4	Very high	9 Å²	9	38.8 Å²	38.8	5%	0.047	20%	0.196	C	C	.	.			trans	-96.4	133.4	179	-69.5	178.1	0	0	0	111.7	L544 V548 V549 V552 T553 K557 L559 F576	L544-L555 HydrophobicContact CD1-CD2 4.27Å; V548-L555 HydrophobicContact CG1-CD1 4.12Å; V548-L555 HydrophobicContact CG1-CD2 4.24Å; V549-L555 HydrophobicContact CB-CD1 4.38Å; V549-L555 HydrophobicContact CG2-CD1 3.79Å; V552-L555 HydrophobicContact CB-CD1 4.18Å; V552-L555 HydrophobicContact CB-CD2 4.26Å; V552-L555 HydrophobicContact CB-CG 4.04Å; V552-L555 HydrophobicContact CG1-CD1 4.45Å; V552-L555 HydrophobicContact CG1-CD2 3.76Å; V552-L555 HydrophobicContact CG1-CG 3.76Å; T553-L555 VanDerWaalsContact C-N 3.35Å; T553-L555 PolarHBondContact O-N 3.38Å; L555-K557 PolarHBondContact O-N 3.04Å; L555-L559 HydrophobicContact CB-CD2 3.81Å; L555-L559 HydrophobicContact CD1-CD2 4.32Å; L555-L559 HydrophobicContact CD2-CD2 4.07Å; L555-L559 HydrophobicContact CG-CD2 4.28Å; L555-F576 HydrophobicContact CB-CE1 4.16Å; L555-F576 HydrophobicContact CB-CZ 3.89Å; L555-F576 HydrophobicContact CD1-CZ 4.44Å
556	N	91.2	Very high	90.3	Very high	87 Å²	87	42.1 Å²	42.1	47%	0.465	22%	0.22	S	C	.	.			trans	-64	131.2	176	-174.1	-12.6	0	0	0	111.4	S558 L559	N556-S558 PolarHBondContact ND2-OG 3.42Å; N556-S558 PolarHBondContact O-N 3.5Å; N556-S558 VanDerWaalsContact O-N 3.13Å; N556-S558 PolarHBondContact OD1-N 3.23Å; N556-S558 PolarHBondContact OD1-OG 3.31Å; N556-L559 WeakPolarHBondContact O-CD2 3.13Å; N556-L559 WeakPolarHBondContact O-CG 3.36Å; N556-L559 PolarHBondContact O-N 3.35Å; N556-L559 VanDerWaalsContact O-N 3.16Å
557	K	90	Very high	89.1	Confident	104 Å²	104	48.7 Å²	48.7	45%	0.452	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-9.6	180	-57.5	-59.4	175.3	-176.6	0	114.8	L555 L559 K574 F576	L555-K557 PolarHBondContact O-N 3.04Å; K557-L559 VanDerWaalsContact C-N 3.28Å; K557-K574 WeakPolarHBondContact CE-O 3.25Å; K557-K574 PolarHBondContact NZ-O 3.27Å; K557-F576 HydrophobicContact CD-CD1 4.2Å; K557-F576 HydrophobicContact CD-CE1 3.79Å; K557-F576 HydrophobicContact CD-CZ 3.97Å; K557-F576 VanDerWaalsContact NZ-CE2 3.34Å; K557-F576 VanDerWaalsContact NZ-CZ 3.27Å
558	S	90.7	Very high	87.8	Confident	45 Å²	45	48.2 Å²	48.2	32%	0.315	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-13.3	172.3	70.5	0	0	0	0	114	N541 N556	N541-S558 PolarHBondContact OD1-OG 2.99Å; N556-S558 PolarHBondContact ND2-OG 3.42Å; N556-S558 PolarHBondContact O-N 3.5Å; N556-S558 VanDerWaalsContact O-N 3.13Å; N556-S558 PolarHBondContact OD1-N 3.23Å; N556-S558 PolarHBondContact OD1-OG 3.31Å
559	L	95.1	Very high	86.6	Confident	4 Å²	4	49.3 Å²	49.3	2%	0.021	25%	0.251	C	S	.	.	S	Bend	trans	-73.9	156.2	176.6	77.6	81.5	0	0	0	112	L542 L544 L555 N556 K557 V561 F576	L542-L559 HydrophobicContact CB-CB 4.09Å; L542-L559 CarbonylContact O-C 3.6Å; L542-L559 VanDerWaalsContact O-CA 3.24Å; L542-L559 WeakPolarHBondContact O-CA 3.43Å; L542-L559 VanDerWaalsContact O-CB 3.29Å; L542-L559 WeakPolarHBondContact O-CB 3.34Å; L544-L559 HydrophobicContact CD1-CD2 3.98Å; L555-L559 HydrophobicContact CB-CD2 3.81Å; L555-L559 HydrophobicContact CD1-CD2 4.32Å; L555-L559 HydrophobicContact CD2-CD2 4.07Å; L555-L559 HydrophobicContact CG-CD2 4.28Å; N556-L559 WeakPolarHBondContact O-CD2 3.13Å; N556-L559 WeakPolarHBondContact O-CG 3.36Å; N556-L559 PolarHBondContact O-N 3.35Å; N556-L559 VanDerWaalsContact O-N 3.16Å; K557-L559 VanDerWaalsContact C-N 3.28Å; L559-V561 HydrophobicContact CD1-CG2 3.59Å; L559-F576 HydrophobicContact CD1-CD1 3.89Å; L559-F576 HydrophobicContact CD1-CE1 4.02Å; L559-F576 HydrophobicContact CD2-CE1 4.33Å; L559-F576 HydrophobicContact CG-CD1 4.1Å; L559-F576 HydrophobicContact CG-CE1 3.94Å
560	F	95.7	Very high	85.9	Confident	7 Å²	7	54.1 Å²	54.1	3%	0.031	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	145.7	170.4	-59.8	-17.3	0	0	0	110.7	V276 Y482 L542 I543 L544 N577 I579 L616	V276-F560 HydrophobicContact CG2-CE2 4.39Å; V276-F560 HydrophobicContact CG2-CZ 4.48Å; Y482-F560 AromaticContact CD1-CD2 3.79Å; Y482-F560 HydrophobicContact CD1-CD2 3.79Å; Y482-F560 AromaticContact CD1-CE2 3.88Å; Y482-F560 HydrophobicContact CD1-CE2 3.88Å; Y482-F560 HydrophobicContact CD1-CG 4.33Å; Y482-F560 HydrophobicContact CD1-CZ 4.49Å; Y482-F560 HydrophobicContact CD2-CE2 4.33Å; Y482-F560 AromaticContact CE1-CD1 3.99Å; Y482-F560 HydrophobicContact CE1-CD1 3.99Å; Y482-F560 AromaticContact CE1-CD2 3.5Å; Y482-F560 HydrophobicContact CE1-CD2 3.5Å; Y482-F560 AromaticContact CE1-CE1 3.81Å; Y482-F560 HydrophobicContact CE1-CE1 3.81Å; Y482-F560 AromaticContact CE1-CE2 3.31Å; Y482-F560 HydrophobicContact CE1-CE2 3.31Å; Y482-F560 AromaticContact CE1-CG 3.85Å; Y482-F560 HydrophobicContact CE1-CG 3.85Å; Y482-F560 AromaticContact CE1-CZ 3.5Å; Y482-F560 HydrophobicContact CE1-CZ 3.5Å; Y482-F560 VanDerWaalsContact CE1-CZ 3.5Å; Y482-F560 AromaticContact CE2-CE2 3.84Å; Y482-F560 HydrophobicContact CE2-CE2 3.84Å; Y482-F560 HydrophobicContact CE2-CZ 4.03Å; Y482-F560 HydrophobicContact CG-CE2 4.37Å; Y482-F560 AromaticContact CZ-CE1 3.86Å; Y482-F560 AromaticContact CZ-CE2 3.32Å; Y482-F560 AromaticContact CZ-CZ 3.23Å; Y482-F560 WeakPolarHBondContact OH-CE1 3.37Å; Y482-F560 WeakPolarHBondContact OH-CZ 3.17Å; L542-F560 PolarHBondContact O-N 3.24Å; I543-F560 WeakPolarHBondContact CA-O 3.36Å; I543-F560 HydrophobicContact CD1-CD2 4.4Å; I543-F560 HydrophobicContact CG1-CB 4.21Å; I543-F560 HydrophobicContact CG1-CD2 4.37Å; I543-F560 HydrophobicContact CG2-CB 4.14Å; L544-F560 PolarHBondContact N-O 2.92Å; L544-F560 VanDerWaalsContact N-O 3.1Å; F560-N577 WeakPolarHBondContact CA-O 3.42Å; F560-N577 HydrophobicContact CD1-CB 3.72Å; F560-N577 HydrophobicContact CE1-CB 3.96Å; F560-I579 HydrophobicContact CB-CD1 4.21Å; F560-I579 HydrophobicContact CD2-CD1 4.14Å; F560-L616 HydrophobicContact CD1-CD1 3.58Å; F560-L616 HydrophobicContact CD2-CD1 3.47Å; F560-L616 VanDerWaalsContact CD2-CD1 3.47Å; F560-L616 HydrophobicContact CE1-CD1 3.41Å; F560-L616 VanDerWaalsContact CE1-CD1 3.41Å; F560-L616 HydrophobicContact CE2-CD1 3.27Å; F560-L616 HydrophobicContact CG-CD1 3.61Å; F560-L616 HydrophobicContact CZ-CD1 3.22Å
561	V	95.4	Very high	85.7	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120.3	178.1	-176.6	0	0	0	0	108.4	L544 E546 V549 L559 V563 F576 N577 I578 I579	L544-V561 WeakPolarHBondContact O-CA 3.31Å; E546-V561 HydrophobicContact CB-CG1 3.99Å; V549-V561 HydrophobicContact CG2-CB 4.42Å; V549-V561 HydrophobicContact CG2-CG1 3.91Å; V549-V561 HydrophobicContact CG2-CG2 3.58Å; L559-V561 HydrophobicContact CD1-CG2 3.59Å; V561-V563 HydrophobicContact CG1-CG1 4.22Å; V561-F576 HydrophobicContact CG2-CB 3.62Å; V561-F576 HydrophobicContact CG2-CD1 4.02Å; V561-F576 HydrophobicContact CG2-CD2 4.22Å; V561-F576 HydrophobicContact CG2-CG 3.7Å; V561-N577 PolarHBondContact N-O 2.98Å; V561-I578 CarbonylContact O-C 3.56Å; V561-I578 WeakPolarHBondContact O-CA 3.39Å; V561-I579 PolarHBondContact O-N 3.34Å
562	Q	96.4	Very high	85.4	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	120	174.3	-164.8	166.5	-13.7	0	0	110	H369 H484 I543 L544 W545 E546 I579 S581 E619	H369-Q562 PolarHBondContact CE1-OE1 3.46Å; H369-Q562 PolarHBondContact ND1-OE1 2.88Å; H484-Q562 PolarHBondContact NE2-OE1 3.12Å; I543-Q562 HydrophobicContact CG2-CB 4.28Å; L544-Q562 PolarHBondContact O-N 3.5Å; W545-Q562 HydrophobicContact CE3-CB 3.72Å; W545-Q562 HydrophobicContact CE3-CG 3.76Å; W545-Q562 VanDerWaalsContact CH2-CD 3.45Å; W545-Q562 HydrophobicContact CH2-CG 4.03Å; W545-Q562 HydrophobicContact CZ3-CB 3.83Å; W545-Q562 HydrophobicContact CZ3-CG 3.31Å; E546-Q562 PolarHBondContact N-O 3.44Å; Q562-I579 CarbonylContact C-O 3.28Å; Q562-I579 VanDerWaalsContact CA-O 3.32Å; Q562-I579 WeakPolarHBondContact CA-O 3.26Å; Q562-I579 HydrophobicContact CB-CB 4.24Å; Q562-I579 HydrophobicContact CG-CB 3.99Å; Q562-I579 HydrophobicContact CG-CG2 3.85Å; Q562-S581 PolarHBondContact NE2-OG 3.11Å; Q562-E619 PolarHBondContact NE2-OE2 3.32Å
563	V	94.4	Very high	85	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.5	-173.3	-61.3	0	0	0	0	111.2	E546 V561 I578 I579 Y580 S581 I582	E546-V563 HydrophobicContact CB-CG1 4.17Å; V561-V563 HydrophobicContact CG1-CG1 4.22Å; V563-I578 HydrophobicContact CG2-CD1 4.46Å; V563-I579 WeakPolarHBondContact CG2-O 3.23Å; V563-I579 PolarHBondContact N-O 3.48Å; V563-Y580 HydrophobicContact CG2-CD2 4.02Å; V563-Y580 HydrophobicContact CG2-CG 4.49Å; V563-S581 PolarHBondContact O-N 2.86Å; V563-I582 HydrophobicContact CB-CD1 4.46Å; V563-I582 HydrophobicContact CB-CG1 4.46Å; V563-I582 HydrophobicContact CG2-CD1 4.15Å; V563-I582 HydrophobicContact CG2-CG1 4.17Å; V563-I582 PolarHBondContact O-N 2.83Å
564	W	93.2	Very high	85.1	Confident	50 Å²	50	47.4 Å²	47.4	19%	0.189	24%	0.242	C	C	.	.			trans	-142.8	-23.6	-162.4	81.4	-101.7	0	0	0	114.4	D488 E489 W545 E546 D547 Y585	D488-W564 HydrophobicContact CB-CZ2 4.21Å; E489-W564 HydrophobicContact CG-CH2 4.11Å; E489-W564 HydrophobicContact CG-CZ2 4.04Å; E489-W564 WeakPolarHBondContact OE1-CH2 2.99Å; W545-W564 HydrophobicContact CE3-CB 4.08Å; W545-W564 AromaticContact CE3-CD1 3.72Å; W545-W564 HydrophobicContact CE3-CG 4.17Å; W545-W564 HydrophobicContact CZ3-CB 4.08Å; E546-W564 PolarHBondContact OE1-N 2.87Å; D547-W564 PolarHBondContact OD2-NE1 2.79Å; W564-Y585 WeakPolarHBondContact CB-OH 3.39Å; W564-Y585 PolarHBondContact O-OH 2.89Å; W564-Y585 VanDerWaalsContact O-OH 3.11Å
565	K	86.8	Confident	85.2	Confident	78 Å²	78	44.3 Å²	44.3	34%	0.339	23%	0.234	S	C	.	.	S	Bend	trans	-87.1	-62.8	179.1	-57.9	178.3	-174.4	176.9	0	112.2	E546 D547 E550	E546-K565 HydrophobicContact CG-CD 4.3Å; E546-K565 HydrophobicContact CG-CG 4.39Å; E546-K565 WeakPolarHBondContact OE1-CA 3.39Å; E546-K565 VanDerWaalsContact OE1-CB 3.29Å; E546-K565 WeakPolarHBondContact OE1-CB 3.32Å; E546-K565 WeakPolarHBondContact OE1-CG 3.42Å; E546-K565 PolarHBondContact OE1-N 3.09Å; D547-K565 WeakPolarHBondContact OD1-CE 3.32Å; D547-K565 IonicContact OD1-NZ 3.7Å; D547-K565 PolarHBondContact OD1-NZ 3.37Å; D547-K565 WeakPolarHBondContact OD2-CE 3.41Å; D547-K565 IonicContact OD2-NZ 2.8Å; D547-K565 PolarHBondContact OD2-NZ 2.84Å; E550-K565 IonicContact OE1-NZ 2.7Å; E550-K565 IonicContact OE2-NZ 3.28Å; E550-K565 PolarHBondContact OE2-NZ 3.22Å
566	S	73.3	Confident	85.1	Confident	73 Å²	73	44 Å²	44	51%	0.51	23%	0.233	S	C	.	.	S	Bend	trans	-175.8	151.8	-168.1	160.2	0	0	0	0	112.5
567	Y	68.3	Low	85.3	Confident	141 Å²	141	42.3 Å²	42.3	55%	0.553	22%	0.223	S	C	*	.			trans	42.5	92.6	161.4	-147.8	-109	0	0	0	117.5	S569 H606	Y567-S569 VanDerWaalsContact C-N 3.3Å; Y567-S569 WeakPolarHBondContact CD1-OG 3.26Å; Y567-S569 WeakPolarHBondContact CE1-OG 3.11Å; Y567-S569 PolarHBondContact O-N 2.81Å; Y567-H606 HydrophobicContact CE2-CB 4.26Å
568	S	67	Low	85.5	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.021	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-14.8	-176.3	55.4	0	0	0	0	116.7	F570 H571 L572	S568-F570 VanDerWaalsContact C-N 3.34Å; S568-F570 PolarHBondContact O-N 3.49Å; S568-H571 PolarHBondContact O-N 3.41Å; S568-L572 WeakPolarHBondContact O-CG 3.28Å; S568-L572 PolarHBondContact O-N 3.05Å; S568-L572 VanDerWaalsContact O-N 3.08Å
569	S	67.9	Low	85.7	Confident	26 Å²	26	35.2 Å²	35.2	18%	0.182	19%	0.187	C	C	.	.	H	α-helix	trans	-65.6	-32.1	-168.5	71.4	0	0	0	0	114.1	Y567 L572 S573	Y567-S569 VanDerWaalsContact C-N 3.3Å; Y567-S569 WeakPolarHBondContact CD1-OG 3.26Å; Y567-S569 WeakPolarHBondContact CE1-OG 3.11Å; Y567-S569 PolarHBondContact O-N 2.81Å; S569-L572 PolarHBondContact O-N 3.23Å; S569-S573 WeakPolarHBondContact O-CB 3.31Å; S569-S573 PolarHBondContact O-N 2.76Å
570	F	75.3	Confident	85.7	Confident	101 Å²	101	36 Å²	36	44%	0.443	19%	0.19	S	C	.	.	H	α-helix	trans	-62.6	-47.3	177.5	175.8	-110	0	0	0	110.9	S568 S573 K574	S568-F570 VanDerWaalsContact C-N 3.34Å; S568-F570 PolarHBondContact O-N 3.49Å; F570-S573 PolarHBondContact O-N 3.39Å; F570-S573 PolarHBondContact O-OG 3.18Å; F570-K574 HydrophobicContact CE1-CD 4.23Å; F570-K574 VanDerWaalsContact CE1-CE 3.48Å; F570-K574 VanDerWaalsContact CE1-NZ 3.27Å; F570-K574 HydrophobicContact CZ-CD 4.34Å; F570-K574 VanDerWaalsContact CZ-NZ 3.28Å; F570-K574 PolarHBondContact O-N 3.12Å
571	H	79.8	Confident	85.7	Confident	4 Å²	4	35.7 Å²	35.7	2%	0.019	19%	0.189	C	C	.	.	H	α-helix	trans	-68.6	-39.7	179.8	-53.7	-54.3	0	0	0	112	E546 S568 S573 K574 I578	E546-H571 IonicContact OE2-CD2 3.91Å; E546-H571 PolarHBondContact OE2-CD2 3.47Å; E546-H571 IonicContact OE2-CE1 3.41Å; E546-H571 IonicContact OE2-NE2 2.7Å; E546-H571 PolarHBondContact OE2-NE2 2.79Å; S568-H571 PolarHBondContact O-N 3.41Å; H571-S573 VanDerWaalsContact C-N 3.33Å; H571-S573 PolarHBondContact O-N 3.43Å; H571-K574 WeakPolarHBondContact O-CB 3.32Å; H571-K574 PolarHBondContact O-N 2.9Å; H571-K574 VanDerWaalsContact O-N 3.15Å; H571-I578 HydrophobicContact CB-CG2 4.42Å
572	L	80.1	Confident	85.6	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-58.3	-44.1	173.3	-72	170.8	0	0	0	111.6	S568 S569 K574 G575 I578 A607 Q614 I615	S568-L572 WeakPolarHBondContact O-CG 3.28Å; S568-L572 PolarHBondContact O-N 3.05Å; S568-L572 VanDerWaalsContact O-N 3.08Å; S569-L572 PolarHBondContact O-N 3.23Å; L572-K574 PolarHBondContact O-N 3.07Å; L572-G575 PolarHBondContact O-N 2.64Å; L572-I578 HydrophobicContact CD1-CD1 4.16Å; L572-I578 HydrophobicContact CD2-CD1 3.91Å; L572-I578 HydrophobicContact CD2-CG1 4.02Å; L572-I578 HydrophobicContact CD2-CG2 3.96Å; L572-I578 HydrophobicContact CG-CD1 4.03Å; L572-I578 HydrophobicContact CG-CG2 4.32Å; L572-A607 HydrophobicContact CD1-CB 4.16Å; L572-Q614 HydrophobicContact CD2-CB 3.64Å; L572-Q614 PolarHBondContact O-NE2 3.29Å; L572-I615 HydrophobicContact CD2-CG1 4.29Å
573	S	79.9	Confident	85.3	Confident	90 Å²	90	39.2 Å²	39.2	63%	0.629	21%	0.209	S	C	*	.	H	α-helix	trans	-63.4	-24.8	178.3	79.2	0	0	0	0	113.6	S569 F570 H571 G575	S569-S573 WeakPolarHBondContact O-CB 3.31Å; S569-S573 PolarHBondContact O-N 2.76Å; F570-S573 PolarHBondContact O-N 3.39Å; F570-S573 PolarHBondContact O-OG 3.18Å; H571-S573 VanDerWaalsContact C-N 3.33Å; H571-S573 PolarHBondContact O-N 3.43Å; S573-G575 PolarHBondContact O-N 3.26Å
574	K	86.1	Confident	85.3	Confident	67 Å²	67	39.2 Å²	39.2	29%	0.291	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-0.8	173.3	-71.5	-177.6	172.7	179.1	0	113.2	V549 K557 F570 H571 L572 F576	V549-K574 HydrophobicContact CG1-CD 3.81Å; V549-K574 PolarHBondContact O-NZ 3.11Å; K557-K574 WeakPolarHBondContact CE-O 3.25Å; K557-K574 PolarHBondContact NZ-O 3.27Å; F570-K574 HydrophobicContact CE1-CD 4.23Å; F570-K574 VanDerWaalsContact CE1-CE 3.48Å; F570-K574 VanDerWaalsContact CE1-NZ 3.27Å; F570-K574 HydrophobicContact CZ-CD 4.34Å; F570-K574 VanDerWaalsContact CZ-NZ 3.28Å; F570-K574 PolarHBondContact O-N 3.12Å; H571-K574 WeakPolarHBondContact O-CB 3.32Å; H571-K574 PolarHBondContact O-N 2.9Å; H571-K574 VanDerWaalsContact O-N 3.15Å; L572-K574 PolarHBondContact O-N 3.07Å; K574-F576 HydrophobicContact CB-CD2 3.74Å; K574-F576 HydrophobicContact CB-CE2 3.82Å; K574-F576 HydrophobicContact CD-CE2 4.39Å
575	G	89.2	Confident	85.4	Confident	39 Å²	39	38.4 Å²	38.4	40%	0.402	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	17.4	175.3	0	0	0	0	0	115	L572 S573	L572-G575 PolarHBondContact O-N 2.64Å; S573-G575 PolarHBondContact O-N 3.26Å
576	F	92.4	Very high	85.9	Confident	4 Å²	4	34.7 Å²	34.7	2%	0.018	19%	0.19	C	C	.	.			trans	-86.6	151.3	175.4	-66.3	-74.6	0	0	0	111.5	V549 L555 K557 L559 V561 K574 Q614	V549-F576 HydrophobicContact CG1-CD2 3.97Å; V549-F576 HydrophobicContact CG1-CE2 3.6Å; V549-F576 HydrophobicContact CG1-CZ 4.42Å; L555-F576 HydrophobicContact CB-CE1 4.16Å; L555-F576 HydrophobicContact CB-CZ 3.89Å; L555-F576 HydrophobicContact CD1-CZ 4.44Å; K557-F576 HydrophobicContact CD-CD1 4.2Å; K557-F576 HydrophobicContact CD-CE1 3.79Å; K557-F576 HydrophobicContact CD-CZ 3.97Å; K557-F576 VanDerWaalsContact NZ-CE2 3.34Å; K557-F576 VanDerWaalsContact NZ-CZ 3.27Å; L559-F576 HydrophobicContact CD1-CD1 3.89Å; L559-F576 HydrophobicContact CD1-CE1 4.02Å; L559-F576 HydrophobicContact CD2-CE1 4.33Å; L559-F576 HydrophobicContact CG-CD1 4.1Å; L559-F576 HydrophobicContact CG-CE1 3.94Å; V561-F576 HydrophobicContact CG2-CB 3.62Å; V561-F576 HydrophobicContact CG2-CD1 4.02Å; V561-F576 HydrophobicContact CG2-CD2 4.22Å; V561-F576 HydrophobicContact CG2-CG 3.7Å; K574-F576 HydrophobicContact CB-CD2 3.74Å; K574-F576 HydrophobicContact CB-CE2 3.82Å; K574-F576 HydrophobicContact CD-CE2 4.39Å; F576-Q614 PolarHBondContact O-NE2 3.34Å
577	N	93.8	Very high	86.7	Confident	50 Å²	50	32.6 Å²	32.6	27%	0.267	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	141	164.3	-64.3	-49.9	0	0	0	109.1	F560 V561 Q614 L616	F560-N577 WeakPolarHBondContact CA-O 3.42Å; F560-N577 HydrophobicContact CD1-CB 3.72Å; F560-N577 HydrophobicContact CE1-CB 3.96Å; V561-N577 PolarHBondContact N-O 2.98Å; N577-Q614 CarbonylContact C-O 3.56Å; N577-Q614 VanDerWaalsContact CA-O 3.24Å; N577-Q614 WeakPolarHBondContact CA-O 3.28Å; N577-L616 HydrophobicContact CB-CD1 3.75Å; N577-L616 HydrophobicContact CB-CD2 4.5Å; N577-L616 HydrophobicContact CB-CG 3.97Å
578	I	93.9	Very high	87.7	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	147.9	-173.2	73.6	171	0	0	0	112.9	V561 V563 H571 L572 Q614 I615 L616	V561-I578 CarbonylContact O-C 3.56Å; V561-I578 WeakPolarHBondContact O-CA 3.39Å; V563-I578 HydrophobicContact CG2-CD1 4.46Å; H571-I578 HydrophobicContact CB-CG2 4.42Å; L572-I578 HydrophobicContact CD1-CD1 4.16Å; L572-I578 HydrophobicContact CD2-CD1 3.91Å; L572-I578 HydrophobicContact CD2-CG1 4.02Å; L572-I578 HydrophobicContact CD2-CG2 3.96Å; L572-I578 HydrophobicContact CG-CD1 4.03Å; L572-I578 HydrophobicContact CG-CG2 4.32Å; I578-Q614 PolarHBondContact N-O 2.87Å; I578-I615 HydrophobicContact CD1-CD1 4.23Å; I578-I615 HydrophobicContact CD1-CG1 3.77Å; I578-I615 HydrophobicContact CG1-CB 4.17Å; I578-I615 HydrophobicContact CG1-CG1 3.81Å; I578-I615 HydrophobicContact CG1-CG2 4.23Å; I578-L616 PolarHBondContact O-N 3.06Å
579	I	96	Very high	88.3	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.6	165.2	-64	168.9	0	0	0	106.7	I543 F560 V561 Q562 V563 E619	I543-I579 HydrophobicContact CD1-CD1 3.91Å; I543-I579 HydrophobicContact CG2-CD1 3.95Å; F560-I579 HydrophobicContact CB-CD1 4.21Å; F560-I579 HydrophobicContact CD2-CD1 4.14Å; V561-I579 PolarHBondContact O-N 3.34Å; Q562-I579 CarbonylContact C-O 3.28Å; Q562-I579 VanDerWaalsContact CA-O 3.32Å; Q562-I579 WeakPolarHBondContact CA-O 3.26Å; Q562-I579 HydrophobicContact CB-CB 4.24Å; Q562-I579 HydrophobicContact CG-CB 3.99Å; Q562-I579 HydrophobicContact CG-CG2 3.85Å; V563-I579 WeakPolarHBondContact CG2-O 3.23Å; V563-I579 PolarHBondContact N-O 3.48Å; I579-E619 HydrophobicContact CG2-CG 3.62Å
580	Y	95.3	Very high	88.6	Confident	22 Å²	22	38.1 Å²	38.1	9%	0.086	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	127	-172.8	-175.9	-83.4	0	0	0	112.7	V563 I582 C583 W584 P603 G617 G618 E619	V563-Y580 HydrophobicContact CG2-CD2 4.02Å; V563-Y580 HydrophobicContact CG2-CG 4.49Å; Y580-I582 HydrophobicContact CD2-CD1 4.24Å; Y580-I582 HydrophobicContact CD2-CG1 4.4Å; Y580-I582 HydrophobicContact CE1-CB 4.25Å; Y580-I582 HydrophobicContact CE2-CB 4.18Å; Y580-I582 HydrophobicContact CE2-CD1 3.65Å; Y580-I582 HydrophobicContact CE2-CG1 3.98Å; Y580-C583 VanDerWaalsContact CE1-SG 3.59Å; Y580-W584 HydrophobicContact CD1-CE3 4.29Å; Y580-W584 HydrophobicContact CD1-CH2 4.47Å; Y580-W584 HydrophobicContact CD1-CZ3 4.08Å; Y580-P603 HydrophobicContact CD1-CB 4.17Å; Y580-P603 HydrophobicContact CD1-CG 3.93Å; Y580-P603 HydrophobicContact CD2-CB 4.17Å; Y580-P603 HydrophobicContact CG-CB 3.81Å; Y580-P603 HydrophobicContact CG-CG 4.03Å; Y580-G617 WeakPolarHBondContact CB-O 3.25Å; Y580-G617 PolarHBondContact N-O 2.94Å; Y580-G618 CarbonylContact O-C 3.58Å; Y580-G618 WeakPolarHBondContact O-CA 3.15Å; Y580-E619 PolarHBondContact O-N 2.53Å
581	S	95.8	Very high	88.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.204	C	C	.	.			trans	-134	-5	178	-69.1	0	0	0	0	115.2	Q562 V563 C583 W584 E619	Q562-S581 PolarHBondContact NE2-OG 3.11Å; V563-S581 PolarHBondContact O-N 2.86Å; S581-C583 VanDerWaalsContact C-N 3.26Å; S581-C583 PolarHBondContact O-N 2.94Å; S581-W584 PolarHBondContact O-N 3.35Å; S581-E619 PolarHBondContact OG-O 3.07Å; S581-E619 VanDerWaalsContact OG-O 3.13Å
582	I	92.4	Very high	88.5	Confident	39 Å²	39	38.2 Å²	38.2	20%	0.2	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.4	-40.5	-169.8	-55.5	177.9	0	0	0	114.7	V563 Y580	V563-I582 HydrophobicContact CB-CD1 4.46Å; V563-I582 HydrophobicContact CB-CG1 4.46Å; V563-I582 HydrophobicContact CG2-CD1 4.15Å; V563-I582 HydrophobicContact CG2-CG1 4.17Å; V563-I582 PolarHBondContact O-N 2.83Å; Y580-I582 HydrophobicContact CD2-CD1 4.24Å; Y580-I582 HydrophobicContact CD2-CG1 4.4Å; Y580-I582 HydrophobicContact CE1-CB 4.25Å; Y580-I582 HydrophobicContact CE2-CB 4.18Å; Y580-I582 HydrophobicContact CE2-CD1 3.65Å; Y580-I582 HydrophobicContact CE2-CG1 3.98Å
583	C	91	Very high	88.1	Confident	35 Å²	35	40.4 Å²	40.4	24%	0.236	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	6.3	-174.5	66.7	0	0	0	0	114.4	Y580 S581 F598 C601	Y580-C583 VanDerWaalsContact CE1-SG 3.59Å; S581-C583 VanDerWaalsContact C-N 3.26Å; S581-C583 PolarHBondContact O-N 2.94Å; C583-F598 WeakPolarHBondContact O-CE2 3.41Å; C583-C601 HydrophobicContact CB-CB 3.81Å; C583-C601 WeakPolarHBondContact CB-SG 3.21Å; C583-C601 WeakPolarHBondContact SG-CB 3.26Å; C583-C601 CovalentContact SG-SG 1.99Å; C583-C601 PolarHBondContact SG-SG 2.98Å
584	W	94.7	Very high	88.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.			trans	-117.4	39.8	-170.2	-64	-35.4	0	0	0	114	Y580 S581 L586 F598 P603 A620 C621 V643 R646 L647	Y580-W584 HydrophobicContact CD1-CE3 4.29Å; Y580-W584 HydrophobicContact CD1-CH2 4.47Å; Y580-W584 HydrophobicContact CD1-CZ3 4.08Å; S581-W584 PolarHBondContact O-N 3.35Å; W584-L586 PolarHBondContact O-N 2.95Å; W584-F598 VanDerWaalsContact CA-CE1 3.44Å; W584-F598 HydrophobicContact CB-CD1 4.29Å; W584-F598 HydrophobicContact CB-CE1 4.11Å; W584-F598 AromaticContact CD1-CD1 3.59Å; W584-F598 AromaticContact CD1-CG 3.8Å; W584-F598 HydrophobicContact CG-CD1 4.28Å; W584-F598 PolarHBondContact NE1-O 2.91Å; W584-P603 HydrophobicContact CH2-CG 3.7Å; W584-P603 HydrophobicContact CZ3-CG 4.21Å; W584-A620 HydrophobicContact CB-CB 4.26Å; W584-A620 CarbonylContact O-C 3.59Å; W584-A620 WeakPolarHBondContact O-CA 3.03Å; W584-C621 PolarHBondContact O-N 3.06Å; W584-V643 HydrophobicContact CB-CG2 4.33Å; W584-V643 HydrophobicContact CD2-CB 4.35Å; W584-V643 HydrophobicContact CD2-CG1 3.45Å; W584-V643 VanDerWaalsContact CD2-CG1 3.45Å; W584-V643 HydrophobicContact CD2-CG2 4.07Å; W584-V643 HydrophobicContact CE3-CG1 3.61Å; W584-V643 HydrophobicContact CG-CG1 3.97Å; W584-V643 HydrophobicContact CG-CG2 3.74Å; W584-V643 HydrophobicContact CH2-CG1 4.03Å; W584-V643 HydrophobicContact CZ2-CG1 3.9Å; W584-V643 HydrophobicContact CZ3-CG1 3.89Å; W584-R646 HydrophobicContact CZ2-CB 4.13Å; W584-L647 HydrophobicContact CH2-CD1 4.11Å; W584-L647 HydrophobicContact CH2-CD2 3.58Å; W584-L647 HydrophobicContact CH2-CG 3.73Å; W584-L647 HydrophobicContact CZ3-CD1 3.9Å; W584-L647 HydrophobicContact CZ3-CD2 3.82Å; W584-L647 HydrophobicContact CZ3-CG 4.02Å
585	Y	95.1	Very high	88.6	Confident	33 Å²	33	39.6 Å²	39.6	13%	0.129	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-79.9	95.7	172.4	-73.7	-95.2	0	0	0	112.1	W564 D587 L588 F598 W623	W564-Y585 WeakPolarHBondContact CB-OH 3.39Å; W564-Y585 PolarHBondContact O-OH 2.89Å; W564-Y585 VanDerWaalsContact O-OH 3.11Å; Y585-D587 VanDerWaalsContact C-N 3.29Å; Y585-D587 PolarHBondContact O-N 3.04Å; Y585-L588 HydrophobicContact CD1-CD1 4.19Å; Y585-L588 HydrophobicContact CG-CD1 3.94Å; Y585-L588 HydrophobicContact CG-CG 4.41Å; Y585-L588 PolarHBondContact O-N 3.46Å; Y585-F598 WeakPolarHBondContact O-CZ 2.87Å; Y585-W623 AromaticContact CD1-CD1 3.68Å; Y585-W623 AromaticContact CD1-NE1 3.66Å; Y585-W623 AromaticContact CE1-CD1 3.85Å; Y585-W623 AromaticContact CE1-NE1 3.35Å; Y585-W623 VanDerWaalsContact CE1-NE1 3.35Å
586	L	95.8	Very high	88.7	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-67.5	-30.3	-174.7	-63.6	165.3	0	0	0	112.5	L339 W584 L589 F598 A620 C621 M622 K635 I636 V639 T640	L339-L586 HydrophobicContact CD1-CD1 3.85Å; W584-L586 PolarHBondContact O-N 2.95Å; L586-L589 HydrophobicContact CD2-CD1 4.38Å; L586-L589 WeakPolarHBondContact O-CB 2.99Å; L586-L589 PolarHBondContact O-N 2.91Å; L586-F598 HydrophobicContact CD2-CD1 4.17Å; L586-F598 HydrophobicContact CD2-CE1 3.68Å; L586-F598 HydrophobicContact CG-CE1 4.24Å; L586-A620 HydrophobicContact CD1-CB 3.77Å; L586-A620 HydrophobicContact CD2-CB 4.39Å; L586-A620 HydrophobicContact CG-CB 4.06Å; L586-C621 WeakPolarHBondContact CB-O 3.27Å; L586-C621 PolarHBondContact N-O 2.96Å; L586-M622 HydrophobicContact CB-CB 4.47Å; L586-M622 HydrophobicContact CB-CE 3.24Å; L586-M622 HydrophobicContact CB-SD 4.13Å; L586-M622 HydrophobicContact CD1-CB 4.1Å; L586-M622 HydrophobicContact CD1-CE 3.99Å; L586-M622 HydrophobicContact CG-CE 4.23Å; L586-K635 WeakPolarHBondContact O-CE 3.38Å; L586-I636 HydrophobicContact CD1-CG1 4.33Å; L586-I636 HydrophobicContact CD1-CG2 4.44Å; L586-V639 HydrophobicContact CD2-CB 4.09Å; L586-V639 HydrophobicContact CD2-CG1 3.74Å; L586-T640 VanDerWaalsContact CD1-OG1 3.31Å; L586-T640 WeakPolarHBondContact CD1-OG1 3.38Å
587	D	91.8	Very high	88.7	Confident	29 Å²	29	41.1 Å²	41.1	16%	0.155	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-42.9	177.3	62.3	-66.3	0	0	0	111.5	Y585 L589 M622 W623 K635	Y585-D587 VanDerWaalsContact C-N 3.29Å; Y585-D587 PolarHBondContact O-N 3.04Å; D587-L589 PolarHBondContact O-N 2.99Å; D587-L589 VanDerWaalsContact O-N 3.15Å; D587-M622 HydrophobicContact CB-SD 4.28Å; D587-W623 HydrophobicContact CB-CB 4.29Å; D587-W623 WeakPolarHBondContact CB-O 2.92Å; D587-K635 WeakPolarHBondContact O-CE 3.37Å; D587-K635 PolarHBondContact O-NZ 3.2Å
588	L	87.7	Confident	88.8	Confident	111 Å²	111	39.4 Å²	39.4	58%	0.581	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-7.8	179.6	-60.2	-174.7	0	0	0	114.5	Y585 N590	Y585-L588 HydrophobicContact CD1-CD1 4.19Å; Y585-L588 HydrophobicContact CG-CD1 3.94Å; Y585-L588 HydrophobicContact CG-CG 4.41Å; Y585-L588 PolarHBondContact O-N 3.46Å; L588-N590 VanDerWaalsContact C-N 3.29Å; L588-N590 PolarHBondContact O-N 3.08Å
589	L	79.7	Confident	88.8	Confident	11 Å²	11	39.4 Å²	39.4	6%	0.058	20%	0.195	C	C	.	.			trans	-70	83.8	173.8	-86.9	161.7	0	0	0	111.3	L586 D587 D591 R594 F598 K635 V639	L586-L589 HydrophobicContact CD2-CD1 4.38Å; L586-L589 WeakPolarHBondContact O-CB 2.99Å; L586-L589 PolarHBondContact O-N 2.91Å; D587-L589 PolarHBondContact O-N 2.99Å; D587-L589 VanDerWaalsContact O-N 3.15Å; L589-D591 PolarHBondContact O-N 3.19Å; L589-R594 HydrophobicContact CD2-CB 3.61Å; L589-F598 HydrophobicContact CD1-CD1 4.23Å; L589-F598 HydrophobicContact CD1-CD2 4.15Å; L589-F598 HydrophobicContact CD1-CE1 3.69Å; L589-F598 HydrophobicContact CD1-CE2 3.63Å; L589-F598 HydrophobicContact CD1-CG 4.46Å; L589-F598 HydrophobicContact CD1-CZ 3.38Å; L589-F598 HydrophobicContact CD2-CD2 4.39Å; L589-F598 HydrophobicContact CD2-CE2 3.96Å; L589-F598 HydrophobicContact CD2-CZ 4.48Å; L589-F598 HydrophobicContact CG-CD2 4.49Å; L589-F598 HydrophobicContact CG-CE2 3.72Å; L589-F598 HydrophobicContact CG-CZ 3.76Å; L589-K635 PolarHBondContact O-NZ 3.33Å; L589-V639 HydrophobicContact CD1-CB 4.45Å; L589-V639 HydrophobicContact CD1-CG1 3.55Å; L589-V639 HydrophobicContact CD1-CG2 4.39Å
590	N	75	Confident	88.7	Confident	163 Å²	163	43.5 Å²	43.5	87%	0.872	22%	0.216	S	C	*	.	S	Bend	trans	-64.6	-30	172.7	-69.9	-31.1	0	0	0	112.3	L588	L588-N590 VanDerWaalsContact C-N 3.29Å; L588-N590 PolarHBondContact O-N 3.08Å
591	D	78.2	Confident	88.6	Confident	61 Å²	61	43.2 Å²	43.2	33%	0.326	22%	0.217	S	C	.	.	S	Bend	trans	-128.2	109.3	178.2	-170.8	-13.8	0	0	0	109.8	L589 K593 R594	L589-D591 PolarHBondContact O-N 3.19Å; D591-K593 PolarHBondContact O-N 3.41Å; D591-K593 WeakPolarHBondContact OD1-CB 3.39Å; D591-K593 WeakPolarHBondContact OD1-CE 3.39Å; D591-K593 WeakPolarHBondContact OD1-CG 3.43Å; D591-K593 PolarHBondContact OD1-N 2.89Å; D591-K593 IonicContact OD1-NZ 2.91Å; D591-K593 WeakPolarHBondContact OD2-CE 3.32Å; D591-K593 IonicContact OD2-NZ 3.78Å; D591-K593 PolarHBondContact OD2-NZ 2.92Å; D591-R594 HydrophobicContact CB-CG 4.33Å; D591-R594 VanDerWaalsContact O-CB 3.3Å; D591-R594 WeakPolarHBondContact O-CB 3.42Å; D591-R594 WeakPolarHBondContact O-CG 3.26Å; D591-R594 PolarHBondContact O-N 3.43Å
592	I	73.6	Confident	88.5	Confident	46 Å²	46	43.7 Å²	43.7	24%	0.236	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-60.8	-18.4	-177.6	-153.2	-178.9	0	0	0	112.8	R594 W595 V639 V679 L680	I592-R594 PolarHBondContact O-N 3.1Å; I592-W595 PolarHBondContact O-N 2.59Å; I592-W595 VanDerWaalsContact O-N 3.17Å; I592-V639 HydrophobicContact CD1-CG2 4.04Å; I592-V639 HydrophobicContact CG1-CG2 3.54Å; I592-V679 WeakPolarHBondContact CG2-O 3.25Å; I592-L680 HydrophobicContact CD1-CD2 3.63Å; I592-L680 HydrophobicContact CG1-CD2 3.52Å
593	K	73.3	Confident	88.4	Confident	49 Å²	49	42 Å²	42	21%	0.213	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-62.6	-19.4	172.6	-68	173.1	-72.1	160.5	0	112.7	K92 I93 P94 D591 W595	K92-K593 PolarHBondContact O-NZ 3.35Å; I93-K593 HydrophobicContact CG1-CD 4.25Å; P94-K593 HydrophobicContact CG-CB 4.32Å; P94-K593 WeakPolarHBondContact CG-O 3.36Å; D591-K593 PolarHBondContact O-N 3.41Å; D591-K593 WeakPolarHBondContact OD1-CB 3.39Å; D591-K593 WeakPolarHBondContact OD1-CE 3.39Å; D591-K593 WeakPolarHBondContact OD1-CG 3.43Å; D591-K593 PolarHBondContact OD1-N 2.89Å; D591-K593 IonicContact OD1-NZ 2.91Å; D591-K593 WeakPolarHBondContact OD2-CE 3.32Å; D591-K593 IonicContact OD2-NZ 3.78Å; D591-K593 PolarHBondContact OD2-NZ 2.92Å; K593-W595 PolarHBondContact O-N 2.86Å
594	R	84.7	Confident	88.3	Confident	138 Å²	138	40.5 Å²	40.5	52%	0.521	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-77.6	8.9	175.9	-61.7	-174	66.2	-170.8	-3	113.8	L589 D591 I592 T596 D597	L589-R594 HydrophobicContact CD2-CB 3.61Å; D591-R594 HydrophobicContact CB-CG 4.33Å; D591-R594 VanDerWaalsContact O-CB 3.3Å; D591-R594 WeakPolarHBondContact O-CB 3.42Å; D591-R594 WeakPolarHBondContact O-CG 3.26Å; D591-R594 PolarHBondContact O-N 3.43Å; I592-R594 PolarHBondContact O-N 3.1Å; R594-T596 PolarHBondContact O-N 2.81Å; R594-D597 IonicContact CZ-OD2 2.68Å; R594-D597 VanDerWaalsContact CZ-OD2 3.23Å; R594-D597 IonicContact NE-OD2 2.71Å; R594-D597 PolarHBondContact NE-OD2 3.32Å; R594-D597 IonicContact NH2-OD2 3.65Å; R594-D597 PolarHBondContact NH2-OD2 2.76Å; R594-D597 WeakPolarHBondContact O-CB 3.13Å; R594-D597 PolarHBondContact O-N 2.89Å
595	W	90.8	Very high	87.8	Confident	1 Å²	1	44.8 Å²	44.8	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-51.1	-27	167.4	74.9	-91.8	0	0	0	112.4	V95 I592 K593 D597 F598 Y599 V639 A642 L656 A659 I663 L680 L681	V95-W595 HydrophobicContact CB-CZ2 4.17Å; V95-W595 HydrophobicContact CG2-CH2 4.49Å; V95-W595 HydrophobicContact CG2-CZ2 3.93Å; I592-W595 PolarHBondContact O-N 2.59Å; I592-W595 VanDerWaalsContact O-N 3.17Å; K593-W595 PolarHBondContact O-N 2.86Å; W595-D597 VanDerWaalsContact C-N 3.27Å; W595-D597 PolarHBondContact O-N 2.59Å; W595-F598 WeakPolarHBondContact O-CB 3.35Å; W595-F598 PolarHBondContact O-N 3.16Å; W595-Y599 HydrophobicContact CZ3-CD2 4.14Å; W595-Y599 AromaticContact CZ3-CG 3.92Å; W595-Y599 HydrophobicContact CZ3-CG 3.92Å; W595-Y599 PolarHBondContact O-N 3.1Å; W595-V639 HydrophobicContact CB-CG1 4.3Å; W595-V639 HydrophobicContact CB-CG2 4.41Å; W595-A642 HydrophobicContact CE3-CB 4.1Å; W595-L656 HydrophobicContact CH2-CD2 4.07Å; W595-L656 HydrophobicContact CZ3-CD2 4.25Å; W595-A659 HydrophobicContact CH2-CB 4.19Å; W595-A659 HydrophobicContact CZ3-CB 4.44Å; W595-I663 HydrophobicContact CD2-CD1 4.48Å; W595-I663 HydrophobicContact CE3-CD1 3.93Å; W595-I663 HydrophobicContact CH2-CG2 4.08Å; W595-I663 HydrophobicContact CZ2-CG2 4.23Å; W595-I663 HydrophobicContact CZ3-CD1 4.16Å; W595-I663 HydrophobicContact CZ3-CG2 4.34Å; W595-L680 HydrophobicContact CB-CD1 4.21Å; W595-L680 HydrophobicContact CB-CD2 4.13Å; W595-L680 HydrophobicContact CD2-CD1 4.04Å; W595-L680 HydrophobicContact CG-CB 4.43Å; W595-L680 HydrophobicContact CG-CD1 3.8Å; W595-L680 HydrophobicContact CG-CD2 4.23Å; W595-L680 HydrophobicContact CG-CG 4.38Å; W595-L681 HydrophobicContact CZ2-CD2 3.8Å
596	T	92.1	Very high	86.9	Confident	9 Å²	9	49.1 Å²	49.1	6%	0.055	25%	0.245	C	C	.	.	H	α-helix	trans	-60.4	-35.4	174.3	54.8	0	0	0	0	112.7	P94 V95 R594 F598 Y599 L600 L656	P94-T596 HydrophobicContact CB-CG2 4.32Å; P94-T596 HydrophobicContact CG-CG2 4.07Å; V95-T596 HydrophobicContact CG2-CG2 3.84Å; R594-T596 PolarHBondContact O-N 2.81Å; T596-F598 VanDerWaalsContact C-N 3.29Å; T596-F598 PolarHBondContact O-N 3.3Å; T596-Y599 PolarHBondContact O-N 2.92Å; T596-L600 WeakPolarHBondContact O-CB 3.38Å; T596-L600 VanDerWaalsContact O-CG 3.32Å; T596-L600 WeakPolarHBondContact O-CG 3.32Å; T596-L600 PolarHBondContact O-N 3.3Å; T596-L656 HydrophobicContact CG2-CD1 4.01Å; T596-L656 HydrophobicContact CG2-CD2 3.86Å
597	D	92.5	Very high	86.3	Confident	66 Å²	66	49.8 Å²	49.8	35%	0.353	25%	0.251	S	S	.	.	H	α-helix	trans	-67.3	-38	178.2	-58	-7.2	0	0	0	109.7	R594 W595 L600 C601	R594-D597 IonicContact CZ-OD2 2.68Å; R594-D597 VanDerWaalsContact CZ-OD2 3.23Å; R594-D597 IonicContact NE-OD2 2.71Å; R594-D597 PolarHBondContact NE-OD2 3.32Å; R594-D597 IonicContact NH2-OD2 3.65Å; R594-D597 PolarHBondContact NH2-OD2 2.76Å; R594-D597 WeakPolarHBondContact O-CB 3.13Å; R594-D597 PolarHBondContact O-N 2.89Å; W595-D597 VanDerWaalsContact C-N 3.27Å; W595-D597 PolarHBondContact O-N 2.59Å; D597-L600 PolarHBondContact O-N 3.5Å; D597-C601 WeakPolarHBondContact O-CB 3.07Å; D597-C601 PolarHBondContact O-N 3.5Å; D597-C601 VanDerWaalsContact O-N 3.08Å
598	F	94.4	Very high	85.8	Confident	14 Å²	14	51 Å²	51	6%	0.061	26%	0.26	C	S	.	.	H	α-helix	trans	-69	-39.1	176	-78.5	-133.3	0	0	0	110.9	C583 W584 Y585 L586 L589 W595 T596 V639 V643	C583-F598 WeakPolarHBondContact O-CE2 3.41Å; W584-F598 VanDerWaalsContact CA-CE1 3.44Å; W584-F598 HydrophobicContact CB-CD1 4.29Å; W584-F598 HydrophobicContact CB-CE1 4.11Å; W584-F598 AromaticContact CD1-CD1 3.59Å; W584-F598 AromaticContact CD1-CG 3.8Å; W584-F598 HydrophobicContact CG-CD1 4.28Å; W584-F598 PolarHBondContact NE1-O 2.91Å; Y585-F598 WeakPolarHBondContact O-CZ 2.87Å; L586-F598 HydrophobicContact CD2-CD1 4.17Å; L586-F598 HydrophobicContact CD2-CE1 3.68Å; L586-F598 HydrophobicContact CG-CE1 4.24Å; L589-F598 HydrophobicContact CD1-CD1 4.23Å; L589-F598 HydrophobicContact CD1-CD2 4.15Å; L589-F598 HydrophobicContact CD1-CE1 3.69Å; L589-F598 HydrophobicContact CD1-CE2 3.63Å; L589-F598 HydrophobicContact CD1-CG 4.46Å; L589-F598 HydrophobicContact CD1-CZ 3.38Å; L589-F598 HydrophobicContact CD2-CD2 4.39Å; L589-F598 HydrophobicContact CD2-CE2 3.96Å; L589-F598 HydrophobicContact CD2-CZ 4.48Å; L589-F598 HydrophobicContact CG-CD2 4.49Å; L589-F598 HydrophobicContact CG-CE2 3.72Å; L589-F598 HydrophobicContact CG-CZ 3.76Å; W595-F598 WeakPolarHBondContact O-CB 3.35Å; W595-F598 PolarHBondContact O-N 3.16Å; T596-F598 VanDerWaalsContact C-N 3.29Å; T596-F598 PolarHBondContact O-N 3.3Å; F598-V639 HydrophobicContact CD1-CG1 3.86Å; F598-V639 HydrophobicContact CE1-CG1 4.31Å; F598-V639 HydrophobicContact CG-CG1 4.25Å; F598-V643 HydrophobicContact CB-CG2 4.19Å; F598-V643 HydrophobicContact CD1-CG2 3.72Å; F598-V643 HydrophobicContact CG-CG2 4.45Å
599	Y	94.7	Very high	85.5	Confident	1 Å²	1	52.8 Å²	52.8	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-69.7	-29.8	176.9	-170.4	-96.2	0	0	0	113.3	W107 W595 T596 A642 E645 R646 V653 L656 A659 R662	W107-Y599 HydrophobicContact CH2-CD2 4.26Å; W107-Y599 AromaticContact CH2-CE2 3.8Å; W107-Y599 HydrophobicContact CH2-CE2 3.8Å; W107-Y599 HydrophobicContact CZ2-CD2 4.49Å; W107-Y599 HydrophobicContact CZ2-CE2 4.21Å; W595-Y599 HydrophobicContact CZ3-CD2 4.14Å; W595-Y599 AromaticContact CZ3-CG 3.92Å; W595-Y599 HydrophobicContact CZ3-CG 3.92Å; W595-Y599 PolarHBondContact O-N 3.1Å; T596-Y599 PolarHBondContact O-N 2.92Å; Y599-A642 HydrophobicContact CD2-CB 4Å; Y599-E645 HydrophobicContact CE2-CB 4.22Å; Y599-E645 HydrophobicContact CE2-CG 4.12Å; Y599-E645 WeakPolarHBondContact CE2-OE1 3.32Å; Y599-E645 PolarHBondContact OH-OE1 2.96Å; Y599-R646 WeakPolarHBondContact O-CD 3.33Å; Y599-R646 WeakPolarHBondContact O-CG 3.4Å; Y599-V653 PolarHBondContact OH-O 2.68Å; Y599-L656 HydrophobicContact CD1-CD2 3.57Å; Y599-L656 HydrophobicContact CE1-CD2 4.28Å; Y599-L656 HydrophobicContact CG-CD2 4.23Å; Y599-A659 HydrophobicContact CD1-CB 4.43Å; Y599-A659 HydrophobicContact CE1-CB 3.82Å; Y599-A659 HydrophobicContact CE2-CB 3.95Å; Y599-R662 PolarHBondContact OH-NH2 3.16Å
600	L	94.7	Very high	85.7	Confident	85 Å²	85	61 Å²	61	45%	0.445	31%	0.308	S	S	.	.	H	α-helix	trans	-90.9	-11.8	179	-70.6	177.9	0	0	0	113.2	T596 D597 N654 L656	T596-L600 WeakPolarHBondContact O-CB 3.38Å; T596-L600 VanDerWaalsContact O-CG 3.32Å; T596-L600 WeakPolarHBondContact O-CG 3.32Å; T596-L600 PolarHBondContact O-N 3.3Å; D597-L600 PolarHBondContact O-N 3.5Å; L600-N654 HydrophobicContact CD2-CB 4.25Å; L600-N654 WeakPolarHBondContact CD2-O 3.38Å; L600-L656 HydrophobicContact CD1-CD1 3.93Å; L600-L656 HydrophobicContact CD1-CG 4.46Å; L600-L656 HydrophobicContact CD2-CG 4.32Å; L600-L656 HydrophobicContact CG-CD1 4.38Å; L600-L656 HydrophobicContact CG-CD2 4.35Å; L600-L656 HydrophobicContact CG-CG 4.42Å
601	C	93.2	Very high	86.2	Confident	17 Å²	17	54.3 Å²	54.3	12%	0.115	27%	0.273	C	S	.	.			trans	-75.6	130	177.3	-176	0	0	0	0	111.8	C583 D597	C583-C601 HydrophobicContact CB-CB 3.81Å; C583-C601 WeakPolarHBondContact CB-SG 3.21Å; C583-C601 WeakPolarHBondContact SG-CB 3.26Å; C583-C601 CovalentContact SG-SG 1.99Å; C583-C601 PolarHBondContact SG-SG 2.98Å; D597-C601 WeakPolarHBondContact O-CB 3.07Å; D597-C601 PolarHBondContact O-N 3.5Å; D597-C601 VanDerWaalsContact O-N 3.08Å
602	D	93.5	Very high	86.4	Confident	10 Å²	10	54 Å²	54	5%	0.053	27%	0.27	C	S	.	.			trans	-127.9	127.8	179.9	-163.8	-67.4	0	0	0	111.4	R333 S604 D605	R333-D602 IonicContact CZ-OD1 2.86Å; R333-D602 IonicContact CZ-OD2 2.91Å; R333-D602 IonicContact NH1-OD1 2.7Å; R333-D602 IonicContact NH1-OD2 3.68Å; R333-D602 PolarHBondContact NH1-OD2 3.19Å; R333-D602 IonicContact NH2-OD1 3.31Å; R333-D602 PolarHBondContact NH2-OD1 3.12Å; R333-D602 IonicContact NH2-OD2 3.64Å; R333-D602 PolarHBondContact NH2-OD2 3.44Å; R333-D602 VanDerWaalsContact NH2-OD2 3.11Å; D602-S604 PolarHBondContact O-N 3.31Å; D602-S604 VanDerWaalsContact OD1-CB 3.32Å; D602-S604 WeakPolarHBondContact OD1-CB 3.41Å; D602-S604 PolarHBondContact OD1-N 3.18Å; D602-S604 PolarHBondContact OD1-OG 3.02Å; D602-D605 PolarHBondContact O-N 3.15Å
603	P	90.9	Very high	87.2	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.013	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-24.4	177.2	-28.7	36.6	0	0	0	114.9	F334 Y580 W584 I615 L647	F334-P603 HydrophobicContact CE2-CG 4.44Å; F334-P603 HydrophobicContact CZ-CB 4.18Å; F334-P603 HydrophobicContact CZ-CG 4.22Å; Y580-P603 HydrophobicContact CD1-CB 4.17Å; Y580-P603 HydrophobicContact CD1-CG 3.93Å; Y580-P603 HydrophobicContact CD2-CB 4.17Å; Y580-P603 HydrophobicContact CG-CB 3.81Å; Y580-P603 HydrophobicContact CG-CG 4.03Å; W584-P603 HydrophobicContact CH2-CG 3.7Å; W584-P603 HydrophobicContact CZ3-CG 4.21Å; P603-I615 HydrophobicContact CB-CG2 3.73Å; P603-I615 VanDerWaalsContact O-CD1 3.26Å; P603-I615 WeakPolarHBondContact O-CD1 3.38Å; P603-L647 HydrophobicContact CG-CD2 4.27Å
604	S	87.6	Confident	88.1	Confident	5 Å²	5	62.6 Å²	62.6	4%	0.035	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-9	-173.6	68.4	0	0	0	0	115.5	R333 D602 H606 A607 E612 K651	R333-S604 PolarHBondContact NH2-OG 3.45Å; D602-S604 PolarHBondContact O-N 3.31Å; D602-S604 VanDerWaalsContact OD1-CB 3.32Å; D602-S604 WeakPolarHBondContact OD1-CB 3.41Å; D602-S604 PolarHBondContact OD1-N 3.18Å; D602-S604 PolarHBondContact OD1-OG 3.02Å; S604-H606 PolarHBondContact O-N 3.38Å; S604-A607 PolarHBondContact O-N 3.41Å; S604-A607 VanDerWaalsContact O-N 3.11Å; S604-E612 WeakPolarHBondContact CB-OE1 3.39Å; S604-K651 VanDerWaalsContact OG-CE 3.31Å; S604-K651 WeakPolarHBondContact OG-CE 3.12Å; S604-K651 PolarHBondContact OG-NZ 2.91Å
605	D	85.5	Confident	88.5	Confident	89 Å²	89	56.4 Å²	56.4	48%	0.476	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.7	-170.3	-78.9	-11.6	0	0	0	114.6	D602 K651	D602-D605 PolarHBondContact O-N 3.15Å; D605-K651 IonicContact OD1-NZ 2.8Å; D605-K651 PolarHBondContact OD1-NZ 2.85Å
606	H	75.9	Confident	88.7	Confident	124 Å²	124	57.3 Å²	57.3	57%	0.574	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123	8.1	177.8	-56.7	-41.9	0	0	0	113.3	Y567 S604	Y567-H606 HydrophobicContact CE2-CB 4.26Å; S604-H606 PolarHBondContact O-N 3.38Å
607	A	82.2	Confident	88.9	Confident	14 Å²	14	56.9 Å²	56.9	12%	0.116	28%	0.278	C	S	.	.	S	Bend	trans	-82	128.2	-179.3	0	0	0	0	0	110	L572 S604 L609 E612 I615	L572-A607 HydrophobicContact CD1-CB 4.16Å; S604-A607 PolarHBondContact O-N 3.41Å; S604-A607 VanDerWaalsContact O-N 3.11Å; A607-L609 PolarHBondContact O-N 3.01Å; A607-E612 HydrophobicContact CB-CB 4.34Å; A607-E612 HydrophobicContact CB-CG 4.37Å; A607-I615 HydrophobicContact CB-CD1 3.49Å; A607-I615 VanDerWaalsContact CB-CD1 3.49Å
608	P	82.7	Confident	89.1	Confident	55 Å²	55	53.7 Å²	53.7	36%	0.357	26%	0.261	S	S	.	.			trans	-56.8	133	167.4	-20.8	30.3	0	0	0	110	E610 T611 E612	P608-E610 PolarHBondContact O-N 2.81Å; P608-T611 WeakPolarHBondContact CB-OG1 3.38Å; P608-T611 WeakPolarHBondContact CD-OG1 3.48Å; P608-T611 CarbonylContact O-C 3.5Å; P608-T611 WeakPolarHBondContact O-CA 3.48Å; P608-T611 PolarHBondContact O-N 2.8Å; P608-T611 PolarHBondContact O-OG1 3.03Å; P608-E612 PolarHBondContact O-N 2.79Å
609	L	81.6	Confident	89.3	Confident	149 Å²	149	53.1 Å²	53.1	78%	0.78	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-36	-177.2	-70.8	171.1	0	0	0	113.1	A607 T611	A607-L609 PolarHBondContact O-N 3.01Å; L609-T611 PolarHBondContact O-N 2.9Å
610	E	83.2	Confident	89.5	Confident	184 Å²	184	53 Å²	53	86%	0.86	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-31	179	-63.2	165.3	-166.8	0	0	112.6	P608	P608-E610 PolarHBondContact O-N 2.81Å
611	T	84.6	Confident	89.7	Confident	21 Å²	21	49 Å²	49	13%	0.129	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-5.4	-173.2	61.2	0	0	0	0	113.3	P608 L609 R613 Q614	P608-T611 WeakPolarHBondContact CB-OG1 3.38Å; P608-T611 WeakPolarHBondContact CD-OG1 3.48Å; P608-T611 CarbonylContact O-C 3.5Å; P608-T611 WeakPolarHBondContact O-CA 3.48Å; P608-T611 PolarHBondContact O-N 2.8Å; P608-T611 PolarHBondContact O-OG1 3.03Å; L609-T611 PolarHBondContact O-N 2.9Å; T611-R613 PolarHBondContact O-N 3.27Å; T611-Q614 VanDerWaalsContact CG2-OE1 3.24Å; T611-Q614 VanDerWaalsContact O-CB 3.26Å; T611-Q614 WeakPolarHBondContact O-CB 3.3Å; T611-Q614 PolarHBondContact O-N 3.17Å
612	E	83.5	Confident	89.9	Confident	56 Å²	56	48.2 Å²	48.2	26%	0.262	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-54.8	-32.5	-178.2	-171.8	-178	178	0	0	112.3	S604 A607 P608 Q614 I615	S604-E612 WeakPolarHBondContact CB-OE1 3.39Å; A607-E612 HydrophobicContact CB-CB 4.34Å; A607-E612 HydrophobicContact CB-CG 4.37Å; P608-E612 PolarHBondContact O-N 2.79Å; E612-Q614 PolarHBondContact O-N 2.8Å; E612-I615 VanDerWaalsContact O-CB 3.3Å; E612-I615 WeakPolarHBondContact O-CB 3.21Å; E612-I615 WeakPolarHBondContact O-CG1 3.45Å; E612-I615 PolarHBondContact O-N 3.1Å
613	R	89.2	Confident	90.1	Very high	238 Å²	238	49 Å²	49	90%	0.898	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-66.9	-17.1	176.8	-64.5	-177.3	-178.5	174.7	1.4	114.5	T611	T611-R613 PolarHBondContact O-N 3.27Å
614	Q	92.4	Very high	90.3	Very high	37 Å²	37	49 Å²	49	17%	0.173	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-78.1	-10.2	174.2	-64.9	167.7	-105.4	0	0	111.7	L572 F576 N577 I578 T611 E612 L616	L572-Q614 HydrophobicContact CD2-CB 3.64Å; L572-Q614 PolarHBondContact O-NE2 3.29Å; F576-Q614 PolarHBondContact O-NE2 3.34Å; N577-Q614 CarbonylContact C-O 3.56Å; N577-Q614 VanDerWaalsContact CA-O 3.24Å; N577-Q614 WeakPolarHBondContact CA-O 3.28Å; I578-Q614 PolarHBondContact N-O 2.87Å; T611-Q614 VanDerWaalsContact CG2-OE1 3.24Å; T611-Q614 VanDerWaalsContact O-CB 3.26Å; T611-Q614 WeakPolarHBondContact O-CB 3.3Å; T611-Q614 PolarHBondContact O-N 3.17Å; E612-Q614 PolarHBondContact O-N 2.8Å; Q614-L616 PolarHBondContact O-N 3.45Å
615	I	93.8	Very high	90.7	Very high	8 Å²	8	51.6 Å²	51.6	4%	0.041	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	105.1	171.3	-51.7	-174.9	0	0	0	108.3	F334 L572 I578 P603 A607 E612 G617	F334-I615 HydrophobicContact CD1-CG2 4.22Å; F334-I615 HydrophobicContact CE1-CB 4.2Å; F334-I615 HydrophobicContact CE1-CG2 3.7Å; L572-I615 HydrophobicContact CD2-CG1 4.29Å; I578-I615 HydrophobicContact CD1-CD1 4.23Å; I578-I615 HydrophobicContact CD1-CG1 3.77Å; I578-I615 HydrophobicContact CG1-CB 4.17Å; I578-I615 HydrophobicContact CG1-CG1 3.81Å; I578-I615 HydrophobicContact CG1-CG2 4.23Å; P603-I615 HydrophobicContact CB-CG2 3.73Å; P603-I615 VanDerWaalsContact O-CD1 3.26Å; P603-I615 WeakPolarHBondContact O-CD1 3.38Å; A607-I615 HydrophobicContact CB-CD1 3.49Å; A607-I615 VanDerWaalsContact CB-CD1 3.49Å; E612-I615 VanDerWaalsContact O-CB 3.3Å; E612-I615 WeakPolarHBondContact O-CB 3.21Å; E612-I615 WeakPolarHBondContact O-CG1 3.45Å; E612-I615 PolarHBondContact O-N 3.1Å; I615-G617 VanDerWaalsContact C-N 3.26Å; I615-G617 PolarHBondContact O-N 3.18Å
616	L	95.2	Very high	91	Very high	19 Å²	19	57 Å²	57	10%	0.099	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-25.7	179.7	-66.2	171.8	0	0	0	112.2	F334 K335 H336 F560 N577 I578 Q614	F334-L616 WeakPolarHBondContact CB-O 3.37Å; K335-L616 PolarHBondContact N-O 2.89Å; H336-L616 HydrophobicContact CB-CB 4.07Å; H336-L616 PolarHBondContact N-O 3.33Å; F560-L616 HydrophobicContact CD1-CD1 3.58Å; F560-L616 HydrophobicContact CD2-CD1 3.47Å; F560-L616 VanDerWaalsContact CD2-CD1 3.47Å; F560-L616 HydrophobicContact CE1-CD1 3.41Å; F560-L616 VanDerWaalsContact CE1-CD1 3.41Å; F560-L616 HydrophobicContact CE2-CD1 3.27Å; F560-L616 HydrophobicContact CG-CD1 3.61Å; F560-L616 HydrophobicContact CZ-CD1 3.22Å; N577-L616 HydrophobicContact CB-CD1 3.75Å; N577-L616 HydrophobicContact CB-CD2 4.5Å; N577-L616 HydrophobicContact CB-CG 3.97Å; I578-L616 PolarHBondContact O-N 3.06Å; Q614-L616 PolarHBondContact O-N 3.45Å
617	G	96.5	Very high	91.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.6	-135.9	-179	0	0	0	0	0	110.3	F334 H336 Y580 I615	F334-G617 VanDerWaalsContact CD1-CA 3.48Å; H336-G617 VanDerWaalsContact O-CA 3.27Å; H336-G617 WeakPolarHBondContact O-CA 3.33Å; Y580-G617 WeakPolarHBondContact CB-O 3.25Å; Y580-G617 PolarHBondContact N-O 2.94Å; I615-G617 VanDerWaalsContact C-N 3.26Å; I615-G617 PolarHBondContact O-N 3.18Å
618	G	96.9	Very high	92.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	-177.6	-178	0	0	0	0	0	114	H336 G338 Y580 L647	H336-G618 PolarHBondContact O-N 3.05Å; G338-G618 PolarHBondContact N-O 2.79Å; Y580-G618 CarbonylContact O-C 3.58Å; Y580-G618 WeakPolarHBondContact O-CA 3.15Å; G618-L647 VanDerWaalsContact O-CD1 3.27Å; G618-L647 WeakPolarHBondContact O-CD1 3.37Å
619	E	98.3	Very high	93	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	139.4	-172.7	-48.4	-168.3	150.3	0	0	111.9	H336 G338 H369 Q562 I579 Y580 S581	H336-E619 IonicContact CD2-OE1 3.23Å; H336-E619 IonicContact CE1-OE1 3.77Å; H336-E619 IonicContact NE2-OE1 3.75Å; H336-E619 PolarHBondContact NE2-OE1 2.98Å; G338-E619 VanDerWaalsContact O-CA 3.29Å; G338-E619 WeakPolarHBondContact O-CA 3.39Å; H369-E619 WeakPolarHBondContact CB-OE2 3.13Å; H369-E619 IonicContact CE1-OE2 2.72Å; H369-E619 IonicContact CG-OE2 2.7Å; H369-E619 IonicContact ND1-OE1 3.5Å; H369-E619 IonicContact ND1-OE2 3.52Å; H369-E619 PolarHBondContact ND1-OE2 2.86Å; Q562-E619 PolarHBondContact NE2-OE2 3.32Å; I579-E619 HydrophobicContact CG2-CG 3.62Å; Y580-E619 PolarHBondContact O-N 2.53Å; S581-E619 PolarHBondContact OG-O 3.07Å; S581-E619 VanDerWaalsContact OG-O 3.13Å
620	A	98.3	Very high	93.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	127.9	162.7	0	0	0	0	0	109.3	G338 L339 M340 W584 L586 T640 V643	G338-A620 PolarHBondContact O-N 2.7Å; G338-A620 VanDerWaalsContact O-N 3.1Å; L339-A620 CarbonylContact C-O 3.43Å; L339-A620 WeakPolarHBondContact CA-O 3.49Å; L339-A620 HydrophobicContact CD1-CB 4.42Å; M340-A620 PolarHBondContact N-O 3.43Å; W584-A620 HydrophobicContact CB-CB 4.26Å; W584-A620 CarbonylContact O-C 3.59Å; W584-A620 WeakPolarHBondContact O-CA 3.03Å; L586-A620 HydrophobicContact CD1-CB 3.77Å; L586-A620 HydrophobicContact CD2-CB 4.39Å; L586-A620 HydrophobicContact CG-CB 4.06Å; A620-T640 HydrophobicContact CB-CG2 4.09Å; A620-V643 HydrophobicContact CB-CB 4.32Å; A620-V643 HydrophobicContact CB-CG1 4.16Å; A620-V643 HydrophobicContact CB-CG2 4.1Å
621	C	98.4	Very high	93.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123	-175.5	-60.6	0	0	0	0	110.1	M340 W584 L586	M340-C621 HydrophobicContact CE-CB 3.67Å; W584-C621 PolarHBondContact O-N 3.06Å; L586-C621 WeakPolarHBondContact CB-O 3.27Å; L586-C621 PolarHBondContact N-O 2.96Å
622	M	97.9	Very high	94.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	90.4	171.1	-178.8	56.7	73.3	0	0	109.4	M340 D342 L586 D587 Q627 V632 K635 I636	M340-M622 WeakPolarHBondContact O-CB 3.46Å; M340-M622 PolarHBondContact O-N 2.92Å; D342-M622 PolarHBondContact N-O 3.36Å; D342-M622 VanDerWaalsContact N-O 3.11Å; L586-M622 HydrophobicContact CB-CB 4.47Å; L586-M622 HydrophobicContact CB-CE 3.24Å; L586-M622 HydrophobicContact CB-SD 4.13Å; L586-M622 HydrophobicContact CD1-CB 4.1Å; L586-M622 HydrophobicContact CD1-CE 3.99Å; L586-M622 HydrophobicContact CG-CE 4.23Å; D587-M622 HydrophobicContact CB-SD 4.28Å; M622-Q627 HydrophobicContact SD-CB 4.39Å; M622-Q627 HydrophobicContact SD-CG 3.75Å; M622-V632 HydrophobicContact CG-CG2 3.73Å; M622-K635 HydrophobicContact CE-CB 3.74Å; M622-K635 HydrophobicContact CE-CG 3.32Å; M622-K635 HydrophobicContact SD-CG 4.11Å; M622-I636 HydrophobicContact CB-CD1 4.18Å; M622-I636 HydrophobicContact CB-CG1 4.04Å; M622-I636 HydrophobicContact CE-CB 4.33Å; M622-I636 HydrophobicContact CE-CG1 3.44Å; M622-I636 VanDerWaalsContact CE-CG1 3.44Å; M622-I636 HydrophobicContact CG-CD1 4.05Å; M622-I636 HydrophobicContact CG-CG1 3.85Å; M622-I636 HydrophobicContact SD-CG1 4.49Å
623	W	97.6	Very high	94.9	Very high	28 Å²	28	45.8 Å²	45.8	11%	0.106	20%	0.198	C	C	.	.			trans	-72.4	138.6	167	-58.1	105.8	0	0	0	110.3	M340 D342 H371 W545 Y585 D587 E625	M340-W623 HydrophobicContact CE-CD2 3.74Å; M340-W623 HydrophobicContact CE-CE3 3.97Å; M340-W623 HydrophobicContact CE-CH2 3.56Å; M340-W623 HydrophobicContact CE-CZ2 3.28Å; M340-W623 HydrophobicContact CE-CZ3 3.89Å; D342-W623 HydrophobicContact CB-CE3 4.06Å; H371-W623 AromaticContact CE1-CZ3 3.82Å; H371-W623 AromaticContact ND1-CZ3 3.82Å; W545-W623 HydrophobicContact CH2-CZ2 4.45Å; W545-W623 HydrophobicContact CZ2-CH2 4.17Å; W545-W623 HydrophobicContact CZ2-CZ2 4.14Å; Y585-W623 AromaticContact CD1-CD1 3.68Å; Y585-W623 AromaticContact CD1-NE1 3.66Å; Y585-W623 AromaticContact CE1-CD1 3.85Å; Y585-W623 AromaticContact CE1-NE1 3.35Å; Y585-W623 VanDerWaalsContact CE1-NE1 3.35Å; D587-W623 HydrophobicContact CB-CB 4.29Å; D587-W623 WeakPolarHBondContact CB-O 2.92Å; W623-E625 WeakPolarHBondContact CB-OE2 3.44Å
624	S	96	Very high	95.1	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.007	17%	0.173	C	C	.	.			trans	-102.7	12.8	-164.5	76.9	0	0	0	0	113.8	D342 R345 H346 Y626 Q627	D342-S624 WeakPolarHBondContact O-CB 3.4Å; D342-S624 PolarHBondContact O-OG 3.04Å; D342-S624 PolarHBondContact OD1-OG 3.47Å; D342-S624 WeakPolarHBondContact OD2-CA 3.29Å; D342-S624 VanDerWaalsContact OD2-CB 3.3Å; D342-S624 WeakPolarHBondContact OD2-CB 3.38Å; D342-S624 PolarHBondContact OD2-N 2.9Å; D342-S624 PolarHBondContact OD2-OG 3.07Å; R345-S624 WeakPolarHBondContact CB-OG 3.23Å; H346-S624 PolarHBondContact N-OG 3.36Å; H346-S624 PolarHBondContact ND1-O 3.18Å; S624-Y626 PolarHBondContact O-N 2.86Å; S624-Q627 PolarHBondContact O-N 3.5Å; S624-Q627 VanDerWaalsContact O-N 3.09Å
625	E	94.5	Very high	95.2	Very high	60 Å²	60	37.7 Å²	37.7	28%	0.28	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-35.6	179.9	-68.3	77.7	-178.1	0	0	113.2	R345 H346 W623	R345-E625 VanDerWaalsContact CD-OE1 3.28Å; R345-E625 WeakPolarHBondContact CD-OE1 3.35Å; R345-E625 IonicContact CZ-OE1 3.44Å; R345-E625 VanDerWaalsContact CZ-OE1 3.31Å; R345-E625 IonicContact NE-OE1 3.53Å; R345-E625 PolarHBondContact NE-OE1 3.36Å; R345-E625 IonicContact NH1-OE1 2.77Å; R345-E625 PolarHBondContact NH1-OE1 2.99Å; H346-E625 PolarHBondContact CE1-O 2.81Å; W623-E625 WeakPolarHBondContact CB-OE2 3.44Å
626	Y	93.2	Very high	95.4	Very high	202 Å²	202	37.3 Å²	37.3	79%	0.792	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.1	10.1	-178.8	-57.1	-71.6	0	0	0	113.1	S624	S624-Y626 PolarHBondContact O-N 2.86Å
627	Q	94.4	Very high	95.4	Very high	24 Å²	24	36.4 Å²	36.4	11%	0.112	17%	0.167	C	C	.	.			trans	-119	126.2	178.4	-57.3	-49.9	-45.6	0	0	110.2	H346 M622 S624 T631 V632 K635	H346-Q627 VanDerWaalsContact CB-O 3.27Å; H346-Q627 WeakPolarHBondContact CB-O 3.19Å; M622-Q627 HydrophobicContact SD-CB 4.39Å; M622-Q627 HydrophobicContact SD-CG 3.75Å; S624-Q627 PolarHBondContact O-N 3.5Å; S624-Q627 VanDerWaalsContact O-N 3.09Å; Q627-T631 WeakPolarHBondContact CA-OG1 3.35Å; Q627-T631 PolarHBondContact OE1-OG1 3.3Å; Q627-V632 HydrophobicContact CB-CB 4.21Å; Q627-V632 HydrophobicContact CB-CG2 4.23Å; Q627-K635 HydrophobicContact CG-CB 4.5Å; Q627-K635 HydrophobicContact CG-CG 4.21Å
628	S	95	Very high	95.3	Very high	33 Å²	33	36.4 Å²	36.4	23%	0.231	17%	0.167	C	C	.	.			trans	-109.3	174.3	177.2	66.2	0	0	0	0	110.7	Y630 T631 V632	S628-Y630 PolarHBondContact O-N 2.82Å; S628-T631 PolarHBondContact N-OG1 3.21Å; S628-T631 PolarHBondContact O-N 2.93Å; S628-T631 PolarHBondContact O-OG1 3.47Å; S628-V632 WeakPolarHBondContact O-CB 3.39Å; S628-V632 WeakPolarHBondContact O-CG1 3.48Å; S628-V632 PolarHBondContact O-N 3.23Å
629	D	92.3	Very high	95.3	Very high	37 Å²	37	36.4 Å²	36.4	20%	0.198	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.4	-34.5	171.9	-163.9	66.2	0	0	0	113.6	S349 V352	S349-D629 WeakPolarHBondContact CA-OD1 3.46Å; S349-D629 WeakPolarHBondContact CB-OD1 3.49Å; S349-D629 PolarHBondContact N-OD1 3.48Å; S349-D629 PolarHBondContact OG-OD1 2.88Å; S349-D629 PolarHBondContact OG-OD2 3.06Å; V352-D629 WeakPolarHBondContact CB-OD1 3.33Å; V352-D629 WeakPolarHBondContact CG2-OD1 3.36Å
630	Y	91.8	Very high	95.3	Very high	204 Å²	204	36.4 Å²	36.4	80%	0.8	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-22.7	-177.2	-56	-73.5	0	0	0	115.1	S628	S628-Y630 PolarHBondContact O-N 2.82Å
631	T	92.6	Very high	95.2	Very high	56 Å²	56	36.4 Å²	36.4	34%	0.344	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-25.2	-172	63.1	0	0	0	0	112.7	Q627 S628 L633 T634 K635	Q627-T631 WeakPolarHBondContact CA-OG1 3.35Å; Q627-T631 PolarHBondContact OE1-OG1 3.3Å; S628-T631 PolarHBondContact N-OG1 3.21Å; S628-T631 PolarHBondContact O-N 2.93Å; S628-T631 PolarHBondContact O-OG1 3.47Å; T631-L633 PolarHBondContact O-N 2.91Å; T631-T634 PolarHBondContact O-N 3.17Å; T631-T634 PolarHBondContact O-OG1 2.98Å; T631-K635 PolarHBondContact O-N 3.46Å
632	V	95.3	Very high	95.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.7	-41.9	-168.8	71.4	0	0	0	0	113.1	I348 V352 M622 Q627 S628 T634 K635 I636	I348-V632 HydrophobicContact CD1-CB 4.48Å; I348-V632 HydrophobicContact CD1-CG1 4.24Å; V352-V632 HydrophobicContact CG1-CG1 3.53Å; M622-V632 HydrophobicContact CG-CG2 3.73Å; Q627-V632 HydrophobicContact CB-CB 4.21Å; Q627-V632 HydrophobicContact CB-CG2 4.23Å; S628-V632 WeakPolarHBondContact O-CB 3.39Å; S628-V632 WeakPolarHBondContact O-CG1 3.48Å; S628-V632 PolarHBondContact O-N 3.23Å; V632-T634 PolarHBondContact O-N 2.94Å; V632-K635 WeakPolarHBondContact O-CB 3.48Å; V632-K635 PolarHBondContact O-N 3.12Å; V632-K635 VanDerWaalsContact O-N 3.12Å; V632-I636 HydrophobicContact CG2-CD1 3.69Å; V632-I636 HydrophobicContact CG2-CG1 4.13Å; V632-I636 WeakPolarHBondContact O-CG1 3.08Å; V632-I636 PolarHBondContact O-N 2.94Å
633	L	94.3	Very high	95.2	Very high	13 Å²	13	36.4 Å²	36.4	7%	0.068	17%	0.167	C	C	.	.	H	α-helix	trans	-61.2	-45.8	-177.7	-73.3	165.8	0	0	0	112.7	V352 L355 N356 T631 K635 I636 W637 P676	V352-L633 HydrophobicContact CG1-CD1 4.17Å; V352-L633 HydrophobicContact CG1-CD2 4.27Å; V352-L633 HydrophobicContact CG1-CG 3.96Å; V352-L633 HydrophobicContact CG2-CD1 4.29Å; L355-L633 HydrophobicContact CB-CD1 4.26Å; L355-L633 HydrophobicContact CB-CD2 4.06Å; L355-L633 HydrophobicContact CD1-CD1 3.71Å; N356-L633 WeakPolarHBondContact ND2-CD2 3.46Å; T631-L633 PolarHBondContact O-N 2.91Å; L633-K635 PolarHBondContact O-N 3.44Å; L633-I636 PolarHBondContact O-N 3.37Å; L633-W637 WeakPolarHBondContact O-CB 3.36Å; L633-W637 PolarHBondContact O-N 3.14Å; L633-P676 HydrophobicContact CB-CB 4.18Å; L633-P676 HydrophobicContact CB-CG 4.36Å; L633-P676 HydrophobicContact CD1-CG 4.07Å
634	T	93.2	Very high	95.2	Very high	62 Å²	62	35 Å²	35	38%	0.38	16%	0.162	S	C	.	.	H	α-helix	trans	-72	-17.6	179.5	52	0	0	0	0	113.6	T631 V632 W637 P676 G678	T631-T634 PolarHBondContact O-N 3.17Å; T631-T634 PolarHBondContact O-OG1 2.98Å; V632-T634 PolarHBondContact O-N 2.94Å; T634-W637 VanDerWaalsContact O-O 3.1Å; T634-P676 HydrophobicContact CG2-CB 3.71Å; T634-G678 PolarHBondContact O-N 2.84Å
635	K	93.5	Very high	95.3	Very high	43 Å²	43	35 Å²	35	19%	0.187	16%	0.162	C	C	.	.	H	α-helix	trans	-83.9	-42.2	173.6	-171.2	85	-178.7	-162	0	110.8	L586 D587 L589 M622 Q627 T631 V632 L633	L586-K635 WeakPolarHBondContact O-CE 3.38Å; D587-K635 WeakPolarHBondContact O-CE 3.37Å; D587-K635 PolarHBondContact O-NZ 3.2Å; L589-K635 PolarHBondContact O-NZ 3.33Å; M622-K635 HydrophobicContact CE-CB 3.74Å; M622-K635 HydrophobicContact CE-CG 3.32Å; M622-K635 HydrophobicContact SD-CG 4.11Å; Q627-K635 HydrophobicContact CG-CB 4.5Å; Q627-K635 HydrophobicContact CG-CG 4.21Å; T631-K635 PolarHBondContact O-N 3.46Å; V632-K635 WeakPolarHBondContact O-CB 3.48Å; V632-K635 PolarHBondContact O-N 3.12Å; V632-K635 VanDerWaalsContact O-N 3.12Å; L633-K635 PolarHBondContact O-N 3.44Å
636	I	97.2	Very high	95.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-67	-47.6	176.3	-66.5	175.7	0	0	0	110.7	L339 I341 N356 L586 M622 V632 L633 V639 T640	L339-I636 HydrophobicContact CD1-CD1 4.47Å; L339-I636 HydrophobicContact CD1-CG2 3.99Å; L339-I636 HydrophobicContact CD2-CD1 4.37Å; L339-I636 HydrophobicContact CD2-CG2 3.84Å; I341-I636 HydrophobicContact CD1-CD1 4.32Å; I341-I636 HydrophobicContact CG1-CD1 4.35Å; N356-I636 WeakPolarHBondContact OD1-CD1 3.3Å; L586-I636 HydrophobicContact CD1-CG1 4.33Å; L586-I636 HydrophobicContact CD1-CG2 4.44Å; M622-I636 HydrophobicContact CB-CD1 4.18Å; M622-I636 HydrophobicContact CB-CG1 4.04Å; M622-I636 HydrophobicContact CE-CB 4.33Å; M622-I636 HydrophobicContact CE-CG1 3.44Å; M622-I636 VanDerWaalsContact CE-CG1 3.44Å; M622-I636 HydrophobicContact CG-CD1 4.05Å; M622-I636 HydrophobicContact CG-CG1 3.85Å; M622-I636 HydrophobicContact SD-CG1 4.49Å; V632-I636 HydrophobicContact CG2-CD1 3.69Å; V632-I636 HydrophobicContact CG2-CG1 4.13Å; V632-I636 WeakPolarHBondContact O-CG1 3.08Å; V632-I636 PolarHBondContact O-N 2.94Å; L633-I636 PolarHBondContact O-N 3.37Å; I636-V639 PolarHBondContact O-N 2.91Å; I636-T640 HydrophobicContact CG2-CG2 4.49Å; I636-T640 VanDerWaalsContact CG2-OG1 3.28Å; I636-T640 WeakPolarHBondContact CG2-OG1 3.48Å; I636-T640 VanDerWaalsContact O-CB 3.31Å; I636-T640 WeakPolarHBondContact O-CB 3.31Å; I636-T640 PolarHBondContact O-N 3.06Å; I636-T640 PolarHBondContact O-OG1 3.3Å
637	W	96.9	Very high	95.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	139.6	-171	-59	106.5	0	0	0	112.3	L339 N356 A359 M360 N363 L365 L633 T634 T640 L670 I675 A677 G678	L339-W637 HydrophobicContact CD2-CZ2 4.01Å; N356-W637 PolarHBondContact OD1-NE1 2.68Å; A359-W637 HydrophobicContact CB-CD2 3.74Å; A359-W637 HydrophobicContact CB-CE3 4.34Å; A359-W637 HydrophobicContact CB-CG 4.25Å; A359-W637 HydrophobicContact CB-CH2 4.02Å; A359-W637 HydrophobicContact CB-CZ2 3.37Å; A359-W637 HydrophobicContact CB-CZ3 4.46Å; M360-W637 HydrophobicContact CG-CH2 4.24Å; M360-W637 HydrophobicContact CG-CZ2 4.02Å; N363-W637 HydrophobicContact CB-CH2 4.48Å; N363-W637 HydrophobicContact CB-CZ3 4.22Å; N363-W637 WeakPolarHBondContact ND2-CZ3 3.32Å; L365-W637 HydrophobicContact CD1-CH2 3.95Å; L633-W637 WeakPolarHBondContact O-CB 3.36Å; L633-W637 PolarHBondContact O-N 3.14Å; T634-W637 VanDerWaalsContact O-O 3.1Å; W637-T640 HydrophobicContact CH2-CG2 3.83Å; W637-T640 HydrophobicContact CZ2-CG2 4.48Å; W637-T640 HydrophobicContact CZ3-CG2 3.91Å; W637-L670 HydrophobicContact CB-CD1 4.1Å; W637-L670 HydrophobicContact CD2-CD1 4.42Å; W637-L670 HydrophobicContact CE3-CD1 4.09Å; W637-L670 HydrophobicContact CG-CD1 4.44Å; W637-I675 HydrophobicContact CB-CG2 4.48Å; W637-I675 HydrophobicContact CG-CG2 4.14Å; W637-A677 HydrophobicContact CB-CB 4.16Å; W637-A677 CarbonylContact O-C 3.57Å; W637-A677 WeakPolarHBondContact O-CA 3.48Å; W637-G678 PolarHBondContact O-N 3.19Å
638	P	94.6	Very high	95.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.7	12.8	2.2	40.4	-39.2	0	0	0	113	T640 S641 R667 L670 G678 L680	P638-T640 PolarHBondContact O-N 3.43Å; P638-S641 WeakPolarHBondContact O-CA 3.47Å; P638-S641 WeakPolarHBondContact O-CB 3.27Å; P638-S641 PolarHBondContact O-N 2.85Å; P638-S641 PolarHBondContact O-OG 3.44Å; P638-R667 HydrophobicContact CB-CB 4.13Å; P638-R667 HydrophobicContact CB-CG 4.26Å; P638-R667 HydrophobicContact CG-CB 3.93Å; P638-R667 HydrophobicContact CG-CG 3.76Å; P638-L670 HydrophobicContact CB-CD1 4.12Å; P638-G678 WeakPolarHBondContact CD-O 3.16Å; P638-L680 HydrophobicContact CB-CD1 4.5Å; P638-L680 HydrophobicContact CG-CD1 3.57Å; P638-L680 HydrophobicContact CG-CD2 3.95Å; P638-L680 HydrophobicContact CG-CG 3.51Å
639	V	95.6	Very high	95.9	Very high	1 Å²	1	20 Å²	20	1%	0.006	10%	0.095	C	C	.	.	H	α-helix	trans	-55.9	-43.5	-177.6	178.7	0	0	0	0	111.3	L586 L589 I592 W595 F598 I636 S641 A642 L680	L586-V639 HydrophobicContact CD2-CB 4.09Å; L586-V639 HydrophobicContact CD2-CG1 3.74Å; L589-V639 HydrophobicContact CD1-CB 4.45Å; L589-V639 HydrophobicContact CD1-CG1 3.55Å; L589-V639 HydrophobicContact CD1-CG2 4.39Å; I592-V639 HydrophobicContact CD1-CG2 4.04Å; I592-V639 HydrophobicContact CG1-CG2 3.54Å; W595-V639 HydrophobicContact CB-CG1 4.3Å; W595-V639 HydrophobicContact CB-CG2 4.41Å; F598-V639 HydrophobicContact CD1-CG1 3.86Å; F598-V639 HydrophobicContact CE1-CG1 4.31Å; F598-V639 HydrophobicContact CG-CG1 4.25Å; I636-V639 PolarHBondContact O-N 2.91Å; V639-S641 PolarHBondContact O-N 3.36Å; V639-S641 VanDerWaalsContact O-N 3.12Å; V639-A642 WeakPolarHBondContact O-CB 3.11Å; V639-A642 PolarHBondContact O-N 3.34Å; V639-L680 HydrophobicContact CG2-CD2 3.74Å
640	T	97.9	Very high	95.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.6	-22.7	177.9	-55.8	0	0	0	0	112.7	L339 L365 L586 A620 I636 W637 P638 A642 V643 A644	L339-T640 HydrophobicContact CD1-CG2 4.21Å; L365-T640 HydrophobicContact CD1-CG2 3.76Å; L586-T640 VanDerWaalsContact CD1-OG1 3.31Å; L586-T640 WeakPolarHBondContact CD1-OG1 3.38Å; A620-T640 HydrophobicContact CB-CG2 4.09Å; I636-T640 HydrophobicContact CG2-CG2 4.49Å; I636-T640 VanDerWaalsContact CG2-OG1 3.28Å; I636-T640 WeakPolarHBondContact CG2-OG1 3.48Å; I636-T640 VanDerWaalsContact O-CB 3.31Å; I636-T640 WeakPolarHBondContact O-CB 3.31Å; I636-T640 PolarHBondContact O-N 3.06Å; I636-T640 PolarHBondContact O-OG1 3.3Å; W637-T640 HydrophobicContact CH2-CG2 3.83Å; W637-T640 HydrophobicContact CZ2-CG2 4.48Å; W637-T640 HydrophobicContact CZ3-CG2 3.91Å; P638-T640 PolarHBondContact O-N 3.43Å; T640-A642 VanDerWaalsContact C-N 3.25Å; T640-A642 PolarHBondContact O-N 3.08Å; T640-V643 PolarHBondContact O-N 2.92Å; T640-A644 WeakPolarHBondContact O-CB 3.13Å; T640-A644 PolarHBondContact O-N 3.32Å
641	S	97.9	Very high	96	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.1	-34.1	171.2	-60	0	0	0	0	112.2	W107 N363 P638 V639 A644 E645	W107-S641 WeakPolarHBondContact CZ2-O 3.4Å; W107-S641 PolarHBondContact NE1-O 3Å; N363-S641 WeakPolarHBondContact OD1-CB 3.49Å; N363-S641 PolarHBondContact OD1-OG 3.19Å; P638-S641 WeakPolarHBondContact O-CA 3.47Å; P638-S641 WeakPolarHBondContact O-CB 3.27Å; P638-S641 PolarHBondContact O-N 2.85Å; P638-S641 PolarHBondContact O-OG 3.44Å; V639-S641 PolarHBondContact O-N 3.36Å; V639-S641 VanDerWaalsContact O-N 3.12Å; S641-A644 PolarHBondContact O-N 3.22Å; S641-E645 PolarHBondContact O-N 3.4Å; S641-E645 VanDerWaalsContact O-N 3.1Å
642	A	96.8	Very high	96	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.4	-47.1	174.3	0	0	0	0	0	111.9	W595 Y599 V639 T640 A644 E645 R646 I663	W595-A642 HydrophobicContact CE3-CB 4.1Å; Y599-A642 HydrophobicContact CD2-CB 4Å; V639-A642 WeakPolarHBondContact O-CB 3.11Å; V639-A642 PolarHBondContact O-N 3.34Å; T640-A642 VanDerWaalsContact C-N 3.25Å; T640-A642 PolarHBondContact O-N 3.08Å; A642-A644 VanDerWaalsContact C-N 3.33Å; A642-A644 PolarHBondContact O-N 2.87Å; A642-E645 PolarHBondContact O-N 2.86Å; A642-R646 PolarHBondContact O-N 3.19Å; A642-R646 VanDerWaalsContact O-N 3.16Å; A642-I663 HydrophobicContact CB-CD1 4.14Å
643	V	97.8	Very high	95.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.7	-43.7	176	-177.4	0	0	0	0	110.8	W584 F598 A620 T640 E645 R646 L647	W584-V643 HydrophobicContact CB-CG2 4.33Å; W584-V643 HydrophobicContact CD2-CB 4.35Å; W584-V643 HydrophobicContact CD2-CG1 3.45Å; W584-V643 VanDerWaalsContact CD2-CG1 3.45Å; W584-V643 HydrophobicContact CD2-CG2 4.07Å; W584-V643 HydrophobicContact CE3-CG1 3.61Å; W584-V643 HydrophobicContact CG-CG1 3.97Å; W584-V643 HydrophobicContact CG-CG2 3.74Å; W584-V643 HydrophobicContact CH2-CG1 4.03Å; W584-V643 HydrophobicContact CZ2-CG1 3.9Å; W584-V643 HydrophobicContact CZ3-CG1 3.89Å; F598-V643 HydrophobicContact CB-CG2 4.19Å; F598-V643 HydrophobicContact CD1-CG2 3.72Å; F598-V643 HydrophobicContact CG-CG2 4.45Å; A620-V643 HydrophobicContact CB-CB 4.32Å; A620-V643 HydrophobicContact CB-CG1 4.16Å; A620-V643 HydrophobicContact CB-CG2 4.1Å; T640-V643 PolarHBondContact O-N 2.92Å; V643-E645 VanDerWaalsContact C-N 3.28Å; V643-E645 PolarHBondContact O-N 3.45Å; V643-R646 PolarHBondContact O-N 3.1Å; V643-R646 VanDerWaalsContact O-N 3.09Å; V643-L647 HydrophobicContact CG1-CD1 3.77Å; V643-L647 HydrophobicContact CG1-CG 4.38Å; V643-L647 WeakPolarHBondContact O-CG 3.49Å; V643-L647 PolarHBondContact O-N 3.09Å
644	A	98.5	Very high	95.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59.7	-37.8	178.9	0	0	0	0	0	112.6	N363 L365 T640 S641 A642 L647 W648	N363-A644 HydrophobicContact CB-CB 3.84Å; N363-A644 WeakPolarHBondContact O-CB 3.21Å; L365-A644 HydrophobicContact CD1-CB 4.36Å; L365-A644 HydrophobicContact CD2-CB 3.66Å; L365-A644 HydrophobicContact CG-CB 3.86Å; T640-A644 WeakPolarHBondContact O-CB 3.13Å; T640-A644 PolarHBondContact O-N 3.32Å; S641-A644 PolarHBondContact O-N 3.22Å; A642-A644 VanDerWaalsContact C-N 3.33Å; A642-A644 PolarHBondContact O-N 2.87Å; A644-L647 PolarHBondContact O-N 2.87Å; A644-W648 WeakPolarHBondContact O-CB 3.43Å; A644-W648 PolarHBondContact O-N 3Å
645	E	98.1	Very high	95.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-71.6	-33.7	175	-175	157.7	94.4	0	0	113.3	W107 P108 L109 Y599 S641 A642 V643 L647 W648 S649 R662	W107-E645 HydrophobicContact CH2-CB 4.48Å; W107-E645 WeakPolarHBondContact CH2-OE1 3.41Å; W107-E645 HydrophobicContact CZ2-CB 3.73Å; W107-E645 HydrophobicContact CZ2-CG 4.39Å; P108-E645 VanDerWaalsContact CA-OE2 3.26Å; P108-E645 WeakPolarHBondContact CA-OE2 3.5Å; P108-E645 HydrophobicContact CB-CB 3.89Å; P108-E645 HydrophobicContact CB-CG 3.94Å; L109-E645 PolarHBondContact N-OE2 3.34Å; Y599-E645 HydrophobicContact CE2-CB 4.22Å; Y599-E645 HydrophobicContact CE2-CG 4.12Å; Y599-E645 WeakPolarHBondContact CE2-OE1 3.32Å; Y599-E645 PolarHBondContact OH-OE1 2.96Å; S641-E645 PolarHBondContact O-N 3.4Å; S641-E645 VanDerWaalsContact O-N 3.1Å; A642-E645 PolarHBondContact O-N 2.86Å; V643-E645 VanDerWaalsContact C-N 3.28Å; V643-E645 PolarHBondContact O-N 3.45Å; E645-L647 VanDerWaalsContact C-N 3.3Å; E645-W648 PolarHBondContact O-N 3.01Å; E645-S649 WeakPolarHBondContact CG-OG 3.49Å; E645-S649 WeakPolarHBondContact O-CB 3.41Å; E645-S649 PolarHBondContact O-N 2.96Å; E645-S649 PolarHBondContact O-OG 2.81Å; E645-R662 IonicContact OE1-CZ 2.95Å; E645-R662 IonicContact OE1-NH1 2.87Å; E645-R662 PolarHBondContact OE1-NH1 3.28Å; E645-R662 IonicContact OE1-NH2 2.91Å; E645-R662 PolarHBondContact OE1-NH2 3.2Å; E645-R662 IonicContact OE2-CZ 3.4Å; E645-R662 IonicContact OE2-NH1 3.23Å; E645-R662 PolarHBondContact OE2-NH1 3.21Å; E645-R662 IonicContact OE2-NH2 3.79Å
646	R	97.1	Very high	95.3	Very high	3 Å²	3	17.3 Å²	17.3	1%	0.011	9%	0.089	C	C	.	.	H	α-helix	trans	-65.8	-34.1	171.9	-73.6	-55.7	83.9	-149.9	-31.6	114	W584 Y599 A642 V643 A650 K651 V653	W584-R646 HydrophobicContact CZ2-CB 4.13Å; Y599-R646 WeakPolarHBondContact O-CD 3.33Å; Y599-R646 WeakPolarHBondContact O-CG 3.4Å; A642-R646 PolarHBondContact O-N 3.19Å; A642-R646 VanDerWaalsContact O-N 3.16Å; V643-R646 PolarHBondContact O-N 3.1Å; V643-R646 VanDerWaalsContact O-N 3.09Å; R646-A650 PolarHBondContact NH2-O 2.9Å; R646-K651 PolarHBondContact NH1-O 2.81Å; R646-V653 PolarHBondContact NE-O 2.8Å; R646-V653 PolarHBondContact NH1-O 3.45Å; R646-V653 PolarHBondContact NH2-O 3.39Å
647	L	97.6	Very high	94.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-84.3	-17.4	178.7	-67.7	173.3	0	0	0	113.5	F334 R337 W584 P603 G618 V643 A644 E645	F334-L647 HydrophobicContact CB-CD2 4.32Å; F334-L647 HydrophobicContact CD2-CD2 3.89Å; F334-L647 HydrophobicContact CE2-CD2 4.42Å; F334-L647 HydrophobicContact CG-CD2 4.22Å; F334-L647 PolarHBondContact N-O 2.98Å; F334-L647 VanDerWaalsContact N-O 3.11Å; R337-L647 HydrophobicContact CB-CB 4.09Å; R337-L647 HydrophobicContact CB-CD1 4.19Å; R337-L647 VanDerWaalsContact CD-O 3.28Å; R337-L647 WeakPolarHBondContact CD-O 3.35Å; R337-L647 HydrophobicContact CG-CB 3.76Å; W584-L647 HydrophobicContact CH2-CD1 4.11Å; W584-L647 HydrophobicContact CH2-CD2 3.58Å; W584-L647 HydrophobicContact CH2-CG 3.73Å; W584-L647 HydrophobicContact CZ3-CD1 3.9Å; W584-L647 HydrophobicContact CZ3-CD2 3.82Å; W584-L647 HydrophobicContact CZ3-CG 4.02Å; P603-L647 HydrophobicContact CG-CD2 4.27Å; G618-L647 VanDerWaalsContact O-CD1 3.27Å; G618-L647 WeakPolarHBondContact O-CD1 3.37Å; V643-L647 HydrophobicContact CG1-CD1 3.77Å; V643-L647 HydrophobicContact CG1-CG 4.38Å; V643-L647 WeakPolarHBondContact O-CG 3.49Å; V643-L647 PolarHBondContact O-N 3.09Å; A644-L647 PolarHBondContact O-N 2.87Å; E645-L647 VanDerWaalsContact C-N 3.3Å
648	W	98	Very high	93.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-101.2	-57.5	-179	-177.1	-83.5	0	0	0	113.6	P108 E280 Y282 R303 D330 P332 R333 K364 A644 E645	P108-W648 HydrophobicContact CB-CB 3.81Å; P108-W648 HydrophobicContact CB-CG 3.88Å; P108-W648 HydrophobicContact CG-CB 3.56Å; P108-W648 HydrophobicContact CG-CD2 3.9Å; P108-W648 HydrophobicContact CG-CG 3.28Å; E280-W648 HydrophobicContact CB-CH2 4.41Å; Y282-W648 HydrophobicContact CE1-CH2 4.31Å; Y282-W648 AromaticContact CE1-CZ2 3.87Å; Y282-W648 HydrophobicContact CE1-CZ2 3.87Å; R303-W648 HydrophobicContact CB-CH2 4Å; R303-W648 HydrophobicContact CG-CH2 3.77Å; R303-W648 HydrophobicContact CG-CZ3 4.14Å; D330-W648 VanDerWaalsContact CG-NE1 3.26Å; D330-W648 PolarHBondContact OD1-NE1 2.94Å; D330-W648 WeakPolarHBondContact OD2-CZ2 3.43Å; D330-W648 PolarHBondContact OD2-NE1 3.21Å; P332-W648 HydrophobicContact CB-CD2 4.29Å; P332-W648 HydrophobicContact CB-CE3 3.71Å; P332-W648 HydrophobicContact CB-CH2 4.34Å; P332-W648 HydrophobicContact CB-CZ3 3.74Å; P332-W648 HydrophobicContact CG-CH2 4.48Å; P332-W648 HydrophobicContact CG-CZ3 4.16Å; R333-W648 WeakPolarHBondContact CB-O 3.37Å; R333-W648 PolarHBondContact N-O 3.5Å; K364-W648 HydrophobicContact CB-CD2 4.07Å; K364-W648 HydrophobicContact CB-CE3 3.47Å; K364-W648 VanDerWaalsContact CB-CE3 3.47Å; K364-W648 HydrophobicContact CB-CH2 4.44Å; K364-W648 HydrophobicContact CB-CZ3 3.69Å; K364-W648 HydrophobicContact CD-CD2 3.61Å; K364-W648 VanDerWaalsContact CD-CE2 3.45Å; K364-W648 HydrophobicContact CD-CE3 3.69Å; K364-W648 HydrophobicContact CD-CG 4.43Å; K364-W648 HydrophobicContact CD-CH2 3.6Å; K364-W648 HydrophobicContact CD-CZ2 3.46Å; K364-W648 VanDerWaalsContact CD-CZ2 3.46Å; K364-W648 HydrophobicContact CD-CZ3 3.69Å; K364-W648 HydrophobicContact CG-CD2 4.5Å; K364-W648 HydrophobicContact CG-CE3 4.25Å; K364-W648 HydrophobicContact CG-CZ3 4.3Å; A644-W648 WeakPolarHBondContact O-CB 3.43Å; A644-W648 PolarHBondContact O-N 3Å; E645-W648 PolarHBondContact O-N 3.01Å
649	S	96.6	Very high	93.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-75.8	168.2	-169	-56.6	0	0	0	0	112.5	L109 R333 E645	L109-S649 PolarHBondContact N-OG 3.22Å; L109-S649 WeakPolarHBondContact O-CB 3.42Å; L109-S649 PolarHBondContact O-OG 3.12Å; R333-S649 WeakPolarHBondContact CB-O 3.31Å; R333-S649 VanDerWaalsContact CD-O 3.28Å; R333-S649 WeakPolarHBondContact CD-O 3.24Å; E645-S649 WeakPolarHBondContact CG-OG 3.49Å; E645-S649 WeakPolarHBondContact O-CB 3.41Å; E645-S649 PolarHBondContact O-N 2.96Å; E645-S649 PolarHBondContact O-OG 2.81Å
650	A	93.7	Very high	93.1	Very high	13 Å²	13	28 Å²	28	11%	0.107	14%	0.138	C	C	.	.			trans	-55.4	151.5	172.7	0	0	0	0	0	111.7	R646 E652 V653	R646-A650 PolarHBondContact NH2-O 2.9Å; A650-E652 WeakPolarHBondContact CB-OE2 3.17Å; A650-E652 PolarHBondContact O-N 2.76Å; A650-V653 HydrophobicContact CB-CG2 4.27Å; A650-V653 WeakPolarHBondContact O-CB 3.42Å; A650-V653 PolarHBondContact O-N 2.85Å; A650-V653 VanDerWaalsContact O-N 3.09Å
651	K	93	Very high	92.4	Very high	69 Å²	69	29 Å²	29	30%	0.3	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-38.8	-175.5	-177.2	170.9	-178.7	163.4	0	111.2	S604 D605 R646 V653	S604-K651 VanDerWaalsContact OG-CE 3.31Å; S604-K651 WeakPolarHBondContact OG-CE 3.12Å; S604-K651 PolarHBondContact OG-NZ 2.91Å; D605-K651 IonicContact OD1-NZ 2.8Å; D605-K651 PolarHBondContact OD1-NZ 2.85Å; R646-K651 PolarHBondContact NH1-O 2.81Å; K651-V653 PolarHBondContact O-N 2.86Å
652	E	91.9	Very high	92	Very high	82 Å²	82	29.1 Å²	29.1	38%	0.383	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-14.4	-176.4	-61.1	72.3	-152.7	0	0	114.2	Y211 A650 N654	Y211-E652 HydrophobicContact CD2-CB 4.19Å; Y211-E652 HydrophobicContact CG-CB 4.36Å; A650-E652 WeakPolarHBondContact CB-OE2 3.17Å; A650-E652 PolarHBondContact O-N 2.76Å; E652-N654 PolarHBondContact O-N 2.71Å; E652-N654 PolarHBondContact O-OD1 3.23Å
653	V	92.3	Very high	91.7	Very high	26 Å²	26	29.1 Å²	29.1	16%	0.158	15%	0.145	C	C	.	.			trans	-77.3	71	-179.6	-177.8	0	0	0	0	110.3	L109 Y599 R646 A650 K651	L109-V653 HydrophobicContact CB-CG1 4.09Å; L109-V653 HydrophobicContact CD2-CG1 3.67Å; L109-V653 HydrophobicContact CD2-CG2 4.03Å; Y599-V653 PolarHBondContact OH-O 2.68Å; R646-V653 PolarHBondContact NE-O 2.8Å; R646-V653 PolarHBondContact NH1-O 3.45Å; R646-V653 PolarHBondContact NH2-O 3.39Å; A650-V653 HydrophobicContact CB-CG2 4.27Å; A650-V653 WeakPolarHBondContact O-CB 3.42Å; A650-V653 PolarHBondContact O-N 2.85Å; A650-V653 VanDerWaalsContact O-N 3.09Å; K651-V653 PolarHBondContact O-N 2.86Å
654	N	92.5	Very high	91.2	Very high	75 Å²	75	29.9 Å²	29.9	40%	0.401	15%	0.148	S	C	.	.			trans	-125.6	8.7	-174.1	61.7	19	0	0	0	114.1	L600 E652 L656	L600-N654 HydrophobicContact CD2-CB 4.25Å; L600-N654 WeakPolarHBondContact CD2-O 3.38Å; E652-N654 PolarHBondContact O-N 2.71Å; E652-N654 PolarHBondContact O-OD1 3.23Å; N654-L656 PolarHBondContact O-N 3.35Å
655	D	89.5	Confident	90.7	Very high	53 Å²	53	31 Å²	31	28%	0.283	15%	0.153	S	C	.	.			trans	-72.8	112.6	178.8	-172.1	-30.7	0	0	0	111.8	Y211 E657 F658 A659	Y211-D655 PolarHBondContact OH-OD2 3.17Å; D655-E657 WeakPolarHBondContact OD1-CA 3.3Å; D655-E657 WeakPolarHBondContact OD1-CB 3.38Å; D655-E657 PolarHBondContact OD1-N 2.89Å; D655-F658 HydrophobicContact CB-CB 4.12Å; D655-F658 PolarHBondContact O-N 2.82Å; D655-F658 PolarHBondContact OD1-N 3.4Å; D655-F658 VanDerWaalsContact OD1-N 3.17Å; D655-A659 WeakPolarHBondContact O-CB 3.21Å; D655-A659 PolarHBondContact O-N 2.88Å
656	L	88.1	Confident	90.5	Very high	41 Å²	41	31 Å²	31	22%	0.215	15%	0.153	C	C	.	.	H	α-helix	trans	-68.9	-33.3	179.7	-71.2	179.9	0	0	0	113.8	V95 W595 T596 Y599 L600 N654 F658 A659 G660	V95-L656 HydrophobicContact CG2-CB 3.88Å; V95-L656 HydrophobicContact CG2-CD1 4.42Å; W595-L656 HydrophobicContact CH2-CD2 4.07Å; W595-L656 HydrophobicContact CZ3-CD2 4.25Å; T596-L656 HydrophobicContact CG2-CD1 4.01Å; T596-L656 HydrophobicContact CG2-CD2 3.86Å; Y599-L656 HydrophobicContact CD1-CD2 3.57Å; Y599-L656 HydrophobicContact CE1-CD2 4.28Å; Y599-L656 HydrophobicContact CG-CD2 4.23Å; L600-L656 HydrophobicContact CD1-CD1 3.93Å; L600-L656 HydrophobicContact CD1-CG 4.46Å; L600-L656 HydrophobicContact CD2-CG 4.32Å; L600-L656 HydrophobicContact CG-CD1 4.38Å; L600-L656 HydrophobicContact CG-CD2 4.35Å; L600-L656 HydrophobicContact CG-CG 4.42Å; N654-L656 PolarHBondContact O-N 3.35Å; L656-F658 VanDerWaalsContact C-N 3.27Å; L656-F658 PolarHBondContact O-N 2.94Å; L656-A659 PolarHBondContact O-N 3.12Å; L656-G660 PolarHBondContact O-N 3.07Å
657	E	81.8	Confident	90.2	Very high	159 Å²	159	31.5 Å²	31.5	74%	0.743	16%	0.155	S	C	*	.	H	α-helix	trans	-66.6	-36.3	178.3	-63.4	-170.1	162.5	0	0	110.3	D655 P661	D655-E657 WeakPolarHBondContact OD1-CA 3.3Å; D655-E657 WeakPolarHBondContact OD1-CB 3.38Å; D655-E657 PolarHBondContact OD1-N 2.89Å; E657-P661 VanDerWaalsContact O-CD 3.25Å; E657-P661 WeakPolarHBondContact O-CD 3.28Å
658	F	80.6	Confident	89.8	Confident	67 Å²	67	32.4 Å²	32.4	29%	0.294	16%	0.162	S	C	.	.	H	α-helix	trans	-77.9	-32.5	174.4	-168.7	-110	0	0	0	113.3	L109 F205 D655 L656 R662	L109-F658 HydrophobicContact CD1-CE1 4Å; L109-F658 HydrophobicContact CD2-CE1 4.1Å; F205-F658 HydrophobicContact CD1-CE2 4.17Å; F205-F658 HydrophobicContact CE1-CE2 4.39Å; D655-F658 HydrophobicContact CB-CB 4.12Å; D655-F658 PolarHBondContact O-N 2.82Å; D655-F658 PolarHBondContact OD1-N 3.4Å; D655-F658 VanDerWaalsContact OD1-N 3.17Å; L656-F658 VanDerWaalsContact C-N 3.27Å; L656-F658 PolarHBondContact O-N 2.94Å; F658-R662 PolarHBondContact O-NE 2.91Å; F658-R662 VanDerWaalsContact O-NE 3.09Å
659	A	88.3	Confident	89.5	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-72.4	-37.2	178.9	0	0	0	0	0	113.4	W107 W595 Y599 D655 L656 R662 I663	W107-A659 HydrophobicContact CH2-CB 4.34Å; W107-A659 HydrophobicContact CZ3-CB 4.42Å; W595-A659 HydrophobicContact CH2-CB 4.19Å; W595-A659 HydrophobicContact CZ3-CB 4.44Å; Y599-A659 HydrophobicContact CD1-CB 4.43Å; Y599-A659 HydrophobicContact CE1-CB 3.82Å; Y599-A659 HydrophobicContact CE2-CB 3.95Å; D655-A659 WeakPolarHBondContact O-CB 3.21Å; D655-A659 PolarHBondContact O-N 2.88Å; L656-A659 PolarHBondContact O-N 3.12Å; A659-R662 PolarHBondContact O-N 2.88Å; A659-R662 VanDerWaalsContact O-N 3.16Å; A659-I663 PolarHBondContact O-N 2.93Å
660	G	86.8	Confident	89.3	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-50.2	-60.1	-176	0	0	0	0	0	114.6	L656 R662 I663 E664 L681	L656-G660 PolarHBondContact O-N 3.07Å; G660-R662 VanDerWaalsContact C-N 3.28Å; G660-R662 PolarHBondContact O-N 3.09Å; G660-I663 WeakPolarHBondContact O-CG2 3.48Å; G660-I663 PolarHBondContact O-N 2.8Å; G660-E664 PolarHBondContact O-N 3.04Å; G660-E664 VanDerWaalsContact O-N 3.15Å; G660-L681 VanDerWaalsContact O-CD1 3.23Å; G660-L681 WeakPolarHBondContact O-CD1 3.35Å
661	P	82.9	Confident	89	Confident	20 Å²	20	35 Å²	35	13%	0.13	17%	0.173	C	C	.	.	H	α-helix	trans	-56.2	-40.6	177.7	-30.4	38.7	0	0	0	114.1	S98 T102 E657 E665	S98-P661 VanDerWaalsContact OG-CG 3.25Å; S98-P661 WeakPolarHBondContact OG-CG 3.41Å; T102-P661 HydrophobicContact CG2-CB 3.69Å; E657-P661 VanDerWaalsContact O-CD 3.25Å; E657-P661 WeakPolarHBondContact O-CD 3.28Å; P661-E665 PolarHBondContact O-N 2.95Å
662	R	90.2	Very high	88.7	Confident	4 Å²	4	32.4 Å²	32.4	2%	0.015	16%	0.162	C	C	.	.	H	α-helix	trans	-71.4	-39.4	-175.9	-58.5	-178	-62.8	117	0.8	111.6	T102 S105 W107 Y599 E645 F658 A659 G660 E665 Q666	T102-R662 HydrophobicContact CG2-CB 4.45Å; T102-R662 HydrophobicContact CG2-CG 3.87Å; S105-R662 WeakPolarHBondContact OG-CD 3.41Å; W107-R662 HydrophobicContact CE3-CB 3.58Å; W107-R662 HydrophobicContact CZ3-CB 3.77Å; Y599-R662 PolarHBondContact OH-NH2 3.16Å; E645-R662 IonicContact OE1-CZ 2.95Å; E645-R662 IonicContact OE1-NH1 2.87Å; E645-R662 PolarHBondContact OE1-NH1 3.28Å; E645-R662 IonicContact OE1-NH2 2.91Å; E645-R662 PolarHBondContact OE1-NH2 3.2Å; E645-R662 IonicContact OE2-CZ 3.4Å; E645-R662 IonicContact OE2-NH1 3.23Å; E645-R662 PolarHBondContact OE2-NH1 3.21Å; E645-R662 IonicContact OE2-NH2 3.79Å; F658-R662 PolarHBondContact O-NE 2.91Å; F658-R662 VanDerWaalsContact O-NE 3.09Å; A659-R662 PolarHBondContact O-N 2.88Å; A659-R662 VanDerWaalsContact O-N 3.16Å; G660-R662 VanDerWaalsContact C-N 3.28Å; G660-R662 PolarHBondContact O-N 3.09Å; R662-E665 PolarHBondContact O-N 2.54Å; R662-Q666 WeakPolarHBondContact O-CB 2.82Å; R662-Q666 PolarHBondContact O-N 3.43Å
663	I	90.9	Very high	88.6	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-71.7	-32.4	178	-159.6	167.3	0	0	0	112	W107 W595 A642 A659 G660 Q666 R667 L680	W107-I663 HydrophobicContact CE3-CB 4.28Å; W107-I663 HydrophobicContact CH2-CB 3.69Å; W107-I663 HydrophobicContact CH2-CD1 3.98Å; W107-I663 HydrophobicContact CH2-CG1 4.03Å; W107-I663 HydrophobicContact CZ2-CB 4.26Å; W107-I663 HydrophobicContact CZ2-CD1 3.92Å; W107-I663 HydrophobicContact CZ2-CG1 4.09Å; W107-I663 HydrophobicContact CZ3-CB 3.7Å; W107-I663 HydrophobicContact CZ3-CG1 4.4Å; W595-I663 HydrophobicContact CD2-CD1 4.48Å; W595-I663 HydrophobicContact CE3-CD1 3.93Å; W595-I663 HydrophobicContact CH2-CG2 4.08Å; W595-I663 HydrophobicContact CZ2-CG2 4.23Å; W595-I663 HydrophobicContact CZ3-CD1 4.16Å; W595-I663 HydrophobicContact CZ3-CG2 4.34Å; A642-I663 HydrophobicContact CB-CD1 4.14Å; A659-I663 PolarHBondContact O-N 2.93Å; G660-I663 WeakPolarHBondContact O-CG2 3.48Å; G660-I663 PolarHBondContact O-N 2.8Å; I663-Q666 PolarHBondContact O-N 2.84Å; I663-R667 WeakPolarHBondContact O-CB 3.23Å; I663-R667 PolarHBondContact O-N 2.84Å; I663-L680 HydrophobicContact CD1-CD1 3.55Å; I663-L680 HydrophobicContact CG1-CD1 3.85Å; I663-L680 HydrophobicContact CG2-CD1 4.07Å
664	E	87.2	Confident	88.2	Confident	16 Å²	16	28.3 Å²	28.3	8%	0.075	15%	0.146	C	C	.	.	H	α-helix	trans	-67.5	-38.7	171.3	-176.7	59.6	-158.1	0	0	111.4	G660 R667 C668 L681	G660-E664 PolarHBondContact O-N 3.04Å; G660-E664 VanDerWaalsContact O-N 3.15Å; E664-R667 VanDerWaalsContact CD-NE 3.32Å; E664-R667 WeakPolarHBondContact O-CB 3.4Å; E664-R667 PolarHBondContact O-N 3.35Å; E664-R667 IonicContact OE1-CZ 3.69Å; E664-R667 IonicContact OE1-NE 3.48Å; E664-R667 PolarHBondContact OE1-NE 3.02Å; E664-R667 IonicContact OE1-NH2 3.35Å; E664-R667 PolarHBondContact OE1-NH2 3.44Å; E664-R667 IonicContact OE2-NE 3.43Å; E664-R667 PolarHBondContact OE2-NE 3.15Å; E664-R667 VanDerWaalsContact OE2-NE 3.12Å; E664-C668 PolarHBondContact O-N 2.82Å; E664-L681 HydrophobicContact CB-CD1 3.95Å
665	E	87.9	Confident	88.2	Confident	22 Å²	22	24.8 Å²	24.8	10%	0.103	13%	0.127	C	C	.	.	H	α-helix	trans	-63.7	-42.3	172.3	-168.9	175	129.9	0	0	111.5	T102 S157 P661 R662 R667 C668 R669	T102-E665 WeakPolarHBondContact CB-OE2 2.84Å; T102-E665 PolarHBondContact N-OE2 2.49Å; T102-E665 PolarHBondContact OG1-OE1 3.48Å; T102-E665 PolarHBondContact OG1-OE2 3.05Å; S157-E665 VanDerWaalsContact CB-OE1 3.28Å; S157-E665 WeakPolarHBondContact CB-OE1 3.35Å; S157-E665 VanDerWaalsContact OG-CD 3.25Å; S157-E665 PolarHBondContact OG-OE1 3.26Å; P661-E665 PolarHBondContact O-N 2.95Å; R662-E665 PolarHBondContact O-N 2.54Å; E665-R667 VanDerWaalsContact C-N 3.33Å; E665-R667 PolarHBondContact O-N 3.31Å; E665-C668 PolarHBondContact O-N 3.39Å; E665-R669 WeakPolarHBondContact O-CB 3.08Å; E665-R669 PolarHBondContact O-N 2.87Å; E665-R669 IonicContact OE1-NH2 4Å; E665-R669 PolarHBondContact OE1-NH2 2.91Å
666	Q	92.9	Very high	88.3	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62	-40.1	174.1	-179.7	63.7	-13.3	0	0	111.5	W107 Y362 N363 R662 I663 C668 R669 L670	W107-Q666 HydrophobicContact CB-CB 4.11Å; W107-Q666 HydrophobicContact CB-CG 4.14Å; W107-Q666 HydrophobicContact CD2-CB 4.45Å; W107-Q666 HydrophobicContact CG-CB 4.09Å; W107-Q666 HydrophobicContact CG-CG 3.95Å; Y362-Q666 PolarHBondContact O-NE2 3.39Å; N363-Q666 VanDerWaalsContact CG-NE2 3.35Å; N363-Q666 PolarHBondContact ND2-NE2 3.44Å; N363-Q666 PolarHBondContact OD1-NE2 3.21Å; R662-Q666 WeakPolarHBondContact O-CB 2.82Å; R662-Q666 PolarHBondContact O-N 3.43Å; I663-Q666 PolarHBondContact O-N 2.84Å; Q666-C668 PolarHBondContact O-N 3.29Å; Q666-R669 WeakPolarHBondContact O-CB 3.3Å; Q666-R669 PolarHBondContact O-N 2.9Å; Q666-L670 VanDerWaalsContact O-CG 3.31Å; Q666-L670 WeakPolarHBondContact O-CG 3.39Å; Q666-L670 PolarHBondContact O-N 2.99Å
667	R	91.6	Very high	88.4	Confident	14 Å²	14	23.5 Å²	23.5	5%	0.053	13%	0.125	C	C	.	.	H	α-helix	trans	-58.7	-46.8	173.4	-170.4	-168.5	80.3	70.6	-1.4	111.6	P638 I663 E664 E665 R669 L670 I671 A677 G678 C686	P638-R667 HydrophobicContact CB-CB 4.13Å; P638-R667 HydrophobicContact CB-CG 4.26Å; P638-R667 HydrophobicContact CG-CB 3.93Å; P638-R667 HydrophobicContact CG-CG 3.76Å; I663-R667 WeakPolarHBondContact O-CB 3.23Å; I663-R667 PolarHBondContact O-N 2.84Å; E664-R667 VanDerWaalsContact CD-NE 3.32Å; E664-R667 WeakPolarHBondContact O-CB 3.4Å; E664-R667 PolarHBondContact O-N 3.35Å; E664-R667 IonicContact OE1-CZ 3.69Å; E664-R667 IonicContact OE1-NE 3.48Å; E664-R667 PolarHBondContact OE1-NE 3.02Å; E664-R667 IonicContact OE1-NH2 3.35Å; E664-R667 PolarHBondContact OE1-NH2 3.44Å; E664-R667 IonicContact OE2-NE 3.43Å; E664-R667 PolarHBondContact OE2-NE 3.15Å; E664-R667 VanDerWaalsContact OE2-NE 3.12Å; E665-R667 VanDerWaalsContact C-N 3.33Å; E665-R667 PolarHBondContact O-N 3.31Å; R667-R669 VanDerWaalsContact C-N 3.32Å; R667-R669 PolarHBondContact O-N 2.89Å; R667-L670 PolarHBondContact O-N 2.04Å; R667-I671 PolarHBondContact O-N 2.7Å; R667-A677 HydrophobicContact CG-CB 3.88Å; R667-G678 WeakPolarHBondContact CD-O 3.47Å; R667-C686 VanDerWaalsContact CZ-SG 3.59Å; R667-C686 PolarHBondContact NH2-SG 3.06Å
668	C	89.1	Confident	88.8	Confident	20 Å²	20	16.5 Å²	16.5	14%	0.135	10%	0.096	C	C	.	.	H	α-helix	trans	-66.6	-35	176.5	-70.2	0	0	0	0	112.7	E664 E665 Q666 I671 N672 C686	E664-C668 PolarHBondContact O-N 2.82Å; E665-C668 PolarHBondContact O-N 3.39Å; Q666-C668 PolarHBondContact O-N 3.29Å; C668-I671 PolarHBondContact O-N 3.29Å; C668-N672 WeakPolarHBondContact O-CB 3.03Å; C668-N672 VanDerWaalsContact O-CG 3.31Å; C668-N672 PolarHBondContact O-N 3.06Å; C668-C686 WeakPolarHBondContact CA-SG 3.41Å; C668-C686 HydrophobicContact CB-CB 3.67Å; C668-C686 WeakPolarHBondContact CB-SG 3.41Å; C668-C686 WeakPolarHBondContact SG-CA 3.08Å; C668-C686 WeakPolarHBondContact SG-CB 3.46Å; C668-C686 CovalentContact SG-SG 2.04Å; C668-C686 PolarHBondContact SG-SG 3.39Å
669	R	91.2	Very high	89.1	Confident	2 Å²	2	16.8 Å²	16.8	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-61	-47.5	173	-174	176	-55.7	124.7	-3.5	111.3	G155 E665 Q666 R667 I671 N672 R673	G155-R669 WeakPolarHBondContact O-CG 3.05Å; G155-R669 PolarHBondContact O-NE 2.85Å; E665-R669 WeakPolarHBondContact O-CB 3.08Å; E665-R669 PolarHBondContact O-N 2.87Å; E665-R669 IonicContact OE1-NH2 4Å; E665-R669 PolarHBondContact OE1-NH2 2.91Å; Q666-R669 WeakPolarHBondContact O-CB 3.3Å; Q666-R669 PolarHBondContact O-N 2.9Å; R667-R669 VanDerWaalsContact C-N 3.32Å; R667-R669 PolarHBondContact O-N 2.89Å; R669-I671 PolarHBondContact O-N 2.98Å; R669-N672 PolarHBondContact O-N 3.02Å; R669-R673 WeakPolarHBondContact O-CB 3.37Å; R669-R673 VanDerWaalsContact O-CG 3.3Å; R669-R673 WeakPolarHBondContact O-CG 3.31Å; R669-R673 PolarHBondContact O-N 2.88Å
670	L	91.9	Very high	88.9	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-56.9	-49.3	175.3	-71.4	176.7	0	0	0	111.5	A359 Y362 W637 P638 Q666 R667 N672 R673 G674 I675 A677	A359-L670 HydrophobicContact CB-CD2 4.18Å; Y362-L670 HydrophobicContact CD2-CD2 3.79Å; W637-L670 HydrophobicContact CB-CD1 4.1Å; W637-L670 HydrophobicContact CD2-CD1 4.42Å; W637-L670 HydrophobicContact CE3-CD1 4.09Å; W637-L670 HydrophobicContact CG-CD1 4.44Å; P638-L670 HydrophobicContact CB-CD1 4.12Å; Q666-L670 VanDerWaalsContact O-CG 3.31Å; Q666-L670 WeakPolarHBondContact O-CG 3.39Å; Q666-L670 PolarHBondContact O-N 2.99Å; R667-L670 PolarHBondContact O-N 2.04Å; L670-N672 PolarHBondContact O-N 3.04Å; L670-R673 CarbonylContact O-C 3.39Å; L670-R673 WeakPolarHBondContact O-CA 3.46Å; L670-R673 PolarHBondContact O-N 3.35Å; L670-G674 PolarHBondContact O-N 3.16Å; L670-G674 VanDerWaalsContact O-N 3.09Å; L670-I675 CarbonylContact C-O 3.49Å; L670-I675 HydrophobicContact CB-CB 4.09Å; L670-I675 HydrophobicContact CB-CG2 4.47Å; L670-I675 HydrophobicContact CD2-CB 4.36Å; L670-I675 HydrophobicContact CD2-CG1 4.37Å; L670-I675 HydrophobicContact CD2-CG2 4.48Å; L670-I675 WeakPolarHBondContact O-CB 3.31Å; L670-I675 PolarHBondContact O-N 2.89Å; L670-A677 HydrophobicContact CB-CB 4.38Å
671	I	89.1	Confident	88.6	Confident	64 Å²	64	17.2 Å²	17.2	33%	0.328	11%	0.105	S	C	.	.	H	α-helix	trans	-61.8	-43.9	178.5	-72	177.9	0	0	0	112.2	R667 C668 R669 R673 G674 I675 A677	R667-I671 PolarHBondContact O-N 2.7Å; C668-I671 PolarHBondContact O-N 3.29Å; R669-I671 PolarHBondContact O-N 2.98Å; I671-R673 PolarHBondContact O-N 2.96Å; I671-G674 WeakPolarHBondContact O-CA 3.47Å; I671-G674 PolarHBondContact O-N 3.44Å; I671-I675 WeakPolarHBondContact CA-O 3.38Å; I671-I675 PolarHBondContact N-O 2.99Å; I671-A677 HydrophobicContact CD1-CB 4.5Å; I671-A677 HydrophobicContact CG1-CB 4.13Å
672	N	86.7	Confident	88.4	Confident	15 Å²	15	17.3 Å²	17.3	8%	0.08	11%	0.11	C	C	.	.	H	α-helix	trans	-69.4	-18.5	178.1	-74.3	-15.5	0	0	0	112.6	C668 R669 L670 G674 D687	C668-N672 WeakPolarHBondContact O-CB 3.03Å; C668-N672 VanDerWaalsContact O-CG 3.31Å; C668-N672 PolarHBondContact O-N 3.06Å; R669-N672 PolarHBondContact O-N 3.02Å; L670-N672 PolarHBondContact O-N 3.04Å; N672-G674 VanDerWaalsContact C-N 3.34Å; N672-D687 PolarHBondContact ND2-O 3.07Å; N672-D687 PolarHBondContact OD1-O 3.3Å
673	R	88.4	Confident	87.5	Confident	3 Å²	3	21.2 Å²	21.2	1%	0.011	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	20.1	167.5	-63.9	179.3	-176.1	-178.4	1.4	112.3	L154 E306 S309 Y362 R669 L670 I671 I675 I697	L154-R673 HydrophobicContact CB-CG 4.15Å; L154-R673 PolarHBondContact O-NE 3.49Å; E306-R673 VanDerWaalsContact CD-NH1 3.34Å; E306-R673 IonicContact OE1-CZ 3.12Å; E306-R673 IonicContact OE1-NH1 3.27Å; E306-R673 PolarHBondContact OE1-NH1 2.89Å; E306-R673 IonicContact OE1-NH2 3.47Å; E306-R673 IonicContact OE2-NH1 3.59Å; E306-R673 PolarHBondContact OE2-NH1 3.37Å; E306-R673 VanDerWaalsContact OE2-NH1 3.13Å; S309-R673 PolarHBondContact OG-NH2 3.35Å; Y362-R673 HydrophobicContact CE2-CB 3.82Å; Y362-R673 HydrophobicContact CE2-CG 4.38Å; R669-R673 WeakPolarHBondContact O-CB 3.37Å; R669-R673 VanDerWaalsContact O-CG 3.3Å; R669-R673 WeakPolarHBondContact O-CG 3.31Å; R669-R673 PolarHBondContact O-N 2.88Å; L670-R673 CarbonylContact O-C 3.39Å; L670-R673 WeakPolarHBondContact O-CA 3.46Å; L670-R673 PolarHBondContact O-N 3.35Å; I671-R673 PolarHBondContact O-N 2.96Å; R673-I675 VanDerWaalsContact C-N 3.26Å; R673-I675 PolarHBondContact O-N 3.47Å; R673-I697 WeakPolarHBondContact O-CD1 3.15Å
674	G	85.6	Confident	86.7	Confident	19 Å²	19	23.3 Å²	23.3	20%	0.196	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	14.3	169.7	0	0	0	0	0	115.6	L670 I671 N672 P676 I697	L670-G674 PolarHBondContact O-N 3.16Å; L670-G674 VanDerWaalsContact O-N 3.09Å; I671-G674 WeakPolarHBondContact O-CA 3.47Å; I671-G674 PolarHBondContact O-N 3.44Å; N672-G674 VanDerWaalsContact C-N 3.34Å; G674-P676 WeakPolarHBondContact O-CD 3.37Å; G674-I697 VanDerWaalsContact CA-CD1 3.49Å; G674-I697 VanDerWaalsContact N-CD1 3.31Å
675	I	90.7	Very high	86.2	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.005	18%	0.177	C	C	.	.			trans	-90.9	114.7	172.6	-53.5	-53.6	0	0	0	108.2	L355 E358 A359 Y362 W637 L670 I671 R673 A677	L355-I675 HydrophobicContact CB-CD1 4.11Å; L355-I675 HydrophobicContact CD2-CD1 3.77Å; L355-I675 WeakPolarHBondContact O-CD1 3.38Å; E358-I675 HydrophobicContact CB-CD1 4.07Å; A359-I675 HydrophobicContact CB-CD1 4.45Å; A359-I675 HydrophobicContact CB-CG1 4.12Å; A359-I675 HydrophobicContact CB-CG2 3.84Å; Y362-I675 HydrophobicContact CE2-CG1 4.15Å; W637-I675 HydrophobicContact CB-CG2 4.48Å; W637-I675 HydrophobicContact CG-CG2 4.14Å; L670-I675 CarbonylContact C-O 3.49Å; L670-I675 HydrophobicContact CB-CB 4.09Å; L670-I675 HydrophobicContact CB-CG2 4.47Å; L670-I675 HydrophobicContact CD2-CB 4.36Å; L670-I675 HydrophobicContact CD2-CG1 4.37Å; L670-I675 HydrophobicContact CD2-CG2 4.48Å; L670-I675 WeakPolarHBondContact O-CB 3.31Å; L670-I675 PolarHBondContact O-N 2.89Å; I671-I675 WeakPolarHBondContact CA-O 3.38Å; I671-I675 PolarHBondContact N-O 2.99Å; R673-I675 VanDerWaalsContact C-N 3.26Å; R673-I675 PolarHBondContact O-N 3.47Å; I675-A677 PolarHBondContact O-N 3.15Å
676	P	91.4	Very high	85.8	Confident	57 Å²	57	28.8 Å²	28.8	37%	0.37	18%	0.182	S	C	.	.			trans	-57.3	130	170.6	-21.9	33.7	0	0	0	110.5	L633 T634 G674	L633-P676 HydrophobicContact CB-CB 4.18Å; L633-P676 HydrophobicContact CB-CG 4.36Å; L633-P676 HydrophobicContact CD1-CG 4.07Å; T634-P676 HydrophobicContact CG2-CB 3.71Å; G674-P676 WeakPolarHBondContact O-CD 3.37Å
677	A	91.8	Very high	84.7	Confident	10 Å²	10	31.4 Å²	31.4	8%	0.083	20%	0.196	C	C	.	.			trans	-139	130.6	-177.8	0	0	0	0	0	110.7	W637 R667 L670 I671 I675	W637-A677 HydrophobicContact CB-CB 4.16Å; W637-A677 CarbonylContact O-C 3.57Å; W637-A677 WeakPolarHBondContact O-CA 3.48Å; R667-A677 HydrophobicContact CG-CB 3.88Å; L670-A677 HydrophobicContact CB-CB 4.38Å; I671-A677 HydrophobicContact CD1-CB 4.5Å; I671-A677 HydrophobicContact CG1-CB 4.13Å; I675-A677 PolarHBondContact O-N 3.15Å
678	G	90.4	Very high	83.3	Confident	13 Å²	13	33 Å²	33	13%	0.134	22%	0.216	C	C	.	.			trans	-67.9	161.5	177.3	0	0	0	0	0	113.1	T634 W637 P638 R667	T634-G678 PolarHBondContact O-N 2.84Å; W637-G678 PolarHBondContact O-N 3.19Å; P638-G678 WeakPolarHBondContact CD-O 3.16Å; R667-G678 WeakPolarHBondContact CD-O 3.47Å
679	V	86.8	Confident	81.7	Confident	73 Å²	73	32.9 Å²	32.9	44%	0.442	22%	0.215	S	C	.	.			trans	-92.9	117	-174.3	177.8	0	0	0	0	110.9	I592 G682	I592-V679 WeakPolarHBondContact CG2-O 3.25Å; V679-G682 WeakPolarHBondContact CG1-O 3.46Å
680	L	84.4	Confident	79.8	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.01	26%	0.261	C	S	.	.	S	Bend	trans	-87.7	-44.8	-178.3	-59.7	-171.3	0	0	0	114.2	I592 W595 P638 V639 I663	I592-L680 HydrophobicContact CD1-CD2 3.63Å; I592-L680 HydrophobicContact CG1-CD2 3.52Å; W595-L680 HydrophobicContact CB-CD1 4.21Å; W595-L680 HydrophobicContact CB-CD2 4.13Å; W595-L680 HydrophobicContact CD2-CD1 4.04Å; W595-L680 HydrophobicContact CG-CB 4.43Å; W595-L680 HydrophobicContact CG-CD1 3.8Å; W595-L680 HydrophobicContact CG-CD2 4.23Å; W595-L680 HydrophobicContact CG-CG 4.38Å; P638-L680 HydrophobicContact CB-CD1 4.5Å; P638-L680 HydrophobicContact CG-CD1 3.57Å; P638-L680 HydrophobicContact CG-CD2 3.95Å; P638-L680 HydrophobicContact CG-CG 3.51Å; V639-L680 HydrophobicContact CG2-CD2 3.74Å; I663-L680 HydrophobicContact CD1-CD1 3.55Å; I663-L680 HydrophobicContact CG1-CD1 3.85Å; I663-L680 HydrophobicContact CG2-CD1 4.07Å
681	L	80.4	Confident	77.7	Confident	7 Å²	7	51.3 Å²	51.3	4%	0.037	30%	0.298	C	S	.	.	S	Bend	trans	-103.6	22.8	-164.3	-55.1	-173.7	0	0	0	113.8	V95 W595 G660 E664	V95-L681 HydrophobicContact CB-CD2 4.17Å; W595-L681 HydrophobicContact CZ2-CD2 3.8Å; G660-L681 VanDerWaalsContact O-CD1 3.23Å; G660-L681 WeakPolarHBondContact O-CD1 3.35Å; E664-L681 HydrophobicContact CB-CD1 3.95Å
682	G	77	Confident	75.7	Confident	22 Å²	22	50.8 Å²	50.8	23%	0.227	30%	0.295	C	S	.	.	S	Bend	trans	76.2	-152.5	-179.4	0	0	0	0	0	113.7	V679 G684	V679-G682 WeakPolarHBondContact CG1-O 3.46Å; G682-G684 PolarHBondContact O-N 3.1Å
683	P	73.2	Confident	73.7	Confident	85 Å²	85	54.7 Å²	54.7	55%	0.552	32%	0.319	S	S	*	.	S	Bend	trans	-58.1	129.8	-173.3	-24.9	34.6	0	0	0	113.2	Y85	Y85-P683 HydrophobicContact CE2-CG 4.02Å
684	G	73.9	Confident	71.6	Confident	45 Å²	45	58.6 Å²	58.6	46%	0.464	35%	0.352	S	S	.	.			trans	-171	-177	-178.1	0	0	0	0	0	111.6	G682	G682-G684 PolarHBondContact O-N 3.1Å
685	Y	76.4	Confident	69.4	Low	122 Å²	122	67.4 Å²	67.4	48%	0.478	38%	0.38	S	S	.	.			trans	-147.8	155.5	175.5	78.2	-83.8	0	0	0	109.8	D687	Y685-D687 WeakPolarHBondContact CE2-OD1 3.26Å
686	C	78.5	Confident	67.3	Low	31 Å²	31	70.2 Å²	70.2	21%	0.209	39%	0.394	C	S	.	.			trans	-111	133.6	167.6	-62.5	0	0	0	0	109.1	R667 C668 G688	R667-C686 VanDerWaalsContact CZ-SG 3.59Å; R667-C686 PolarHBondContact NH2-SG 3.06Å; C668-C686 WeakPolarHBondContact CA-SG 3.41Å; C668-C686 HydrophobicContact CB-CB 3.67Å; C668-C686 WeakPolarHBondContact CB-SG 3.41Å; C668-C686 WeakPolarHBondContact SG-CA 3.08Å; C668-C686 WeakPolarHBondContact SG-CB 3.46Å; C668-C686 CovalentContact SG-SG 2.04Å; C668-C686 PolarHBondContact SG-SG 3.39Å; C686-G688 PolarHBondContact O-N 3.25Å
687	D	70.2	Confident	65.3	Low	55 Å²	55	68 Å²	68	29%	0.294	38%	0.379	S	S	.	.			trans	-68.1	99.8	169.3	-82.2	-46.8	0	0	0	108.4	V158 N672 Y685	V158-D687 HydrophobicContact CG2-CB 4.08Å; N672-D687 PolarHBondContact ND2-O 3.07Å; N672-D687 PolarHBondContact OD1-O 3.3Å; Y685-D687 WeakPolarHBondContact CE2-OD1 3.26Å
688	G	61.7	Low	63.5	Low	46 Å²	46	69.8 Å²	69.8	47%	0.474	39%	0.387	S	S	.	.			trans	-72.5	135.7	173	0	0	0	0	0	110.5	C686 K690	C686-G688 PolarHBondContact O-N 3.25Å; G688-K690 PolarHBondContact O-N 3.36Å; G688-K690 VanDerWaalsContact O-N 3.14Å
689	T	55.3	Low	61.8	Low	19 Å²	19	75.4 Å²	75.4	12%	0.117	41%	0.41	C	S	.	.			trans	-57.7	120.3	160.5	47.5	0	0	0	0	107.1	Q691 M692	T689-Q691 PolarHBondContact O-N 2.82Å; T689-M692 PolarHBondContact O-N 3.47Å
690	K	52.2	Low	60.4	Low	224 Å²	224	74.3 Å²	74.3	97%	0.974	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	1.5	-177.8	-82.6	-176.6	174.5	179.6	0	115.8	G688	G688-K690 PolarHBondContact O-N 3.36Å; G688-K690 VanDerWaalsContact O-N 3.14Å
691	Q	47.8	Very low	59.3	Low	165 Å²	165	74.8 Å²	74.8	77%	0.771	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.5	-7.6	-170.4	-77.4	179	-21.9	0	0	115.3	T689	T689-Q691 PolarHBondContact O-N 2.82Å
692	M	47	Very low	58.6	Low	53 Å²	53	76 Å²	76	26%	0.261	41%	0.411	S	S	.	.			trans	-105.9	94	-175.5	-62.7	-179.2	77.6	0	0	109.7	L154 T689 A694 I697 I700	L154-M692 HydrophobicContact CD1-CE 4.47Å; L154-M692 HydrophobicContact CD2-CE 4.26Å; L154-M692 HydrophobicContact CD2-SD 3.32Å; L154-M692 WeakPolarHBondContact CD2-SD 3.29Å; T689-M692 PolarHBondContact O-N 3.47Å; M692-A694 PolarHBondContact O-N 3.37Å; M692-I697 HydrophobicContact CE-CD1 3.09Å; M692-I697 HydrophobicContact CE-CG1 3.25Å; M692-I700 HydrophobicContact CE-CD1 4.29Å
693	T	44.5	Very low	58	Low	96 Å²	96	78.7 Å²	78.7	59%	0.589	42%	0.42	S	S	*	.			trans	-58.1	133.2	158.6	49.3	0	0	0	0	107	W695 N696	T693-W695 PolarHBondContact O-N 3.26Å; T693-N696 PolarHBondContact O-N 2.84Å
694	A	44.5	Very low	57.9	Low	85 Å²	85	76.1 Å²	76.1	70%	0.702	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-15.9	-174	0	0	0	0	0	114.5	M692	M692-A694 PolarHBondContact O-N 3.37Å
695	W	39.1	Very low	57.9	Low	205 Å²	205	74.4 Å²	74.4	78%	0.777	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-12.1	-179	-64.3	91	0	0	0	114.6	T693	T693-W695 PolarHBondContact O-N 3.26Å
696	N	46.7	Very low	57.8	Low	59 Å²	59	73.5 Å²	73.5	32%	0.316	38%	0.379	S	S	.	.	H	α-helix	trans	-80.4	-21	-175	-159.1	2.3	0	0	0	113.1	T693 E699 I700	T693-N696 PolarHBondContact O-N 2.84Å; N696-E699 WeakPolarHBondContact O-CA 3.47Å; N696-E699 VanDerWaalsContact O-CB 3.27Å; N696-E699 WeakPolarHBondContact O-CB 3.4Å; N696-E699 PolarHBondContact O-N 2.96Å; N696-E699 PolarHBondContact OD1-OE2 3.22Å; N696-I700 PolarHBondContact O-N 2.98Å
697	I	49.7	Very low	57.5	Low	11 Å²	11	75 Å²	75	6%	0.056	39%	0.385	C	S	.	.	H	α-helix	trans	-73.4	-28.8	175.4	-96.8	-179.3	0	0	0	113.1	L355 R673 G674 M692 E699 I700 V701	L355-I697 HydrophobicContact CD2-CG2 4.37Å; R673-I697 WeakPolarHBondContact O-CD1 3.15Å; G674-I697 VanDerWaalsContact CA-CD1 3.49Å; G674-I697 VanDerWaalsContact N-CD1 3.31Å; M692-I697 HydrophobicContact CE-CD1 3.09Å; M692-I697 HydrophobicContact CE-CG1 3.25Å; I697-E699 PolarHBondContact O-N 3.01Å; I697-I700 HydrophobicContact CG1-CB 4.47Å; I697-I700 HydrophobicContact CG1-CD1 3.87Å; I697-I700 PolarHBondContact O-N 3.06Å; I697-V701 HydrophobicContact CG2-CG2 3.84Å; I697-V701 WeakPolarHBondContact O-CB 3.35Å; I697-V701 PolarHBondContact O-N 3.08Å
698	N	53.9	Low	57.6	Low	47 Å²	47	72.4 Å²	72.4	25%	0.251	37%	0.371	S	S	.	.	H	α-helix	trans	-53.2	-38.4	166.5	-75.8	-14.6	0	0	0	108.6	L702	N698-L702 HydrophobicContact CB-CD1 4.22Å; N698-L702 WeakPolarHBondContact O-CA 3.25Å; N698-L702 WeakPolarHBondContact O-CB 3.41Å; N698-L702 WeakPolarHBondContact O-CD1 3.48Å; N698-L702 WeakPolarHBondContact O-CG 3.47Å; N698-L702 PolarHBondContact O-N 3.14Å
699	E	55.2	Low	58.3	Low	131 Å²	131	72.1 Å²	72.1	61%	0.612	36%	0.358	S	S	*	.	H	α-helix	trans	-65.9	-41.1	173.5	-56.9	-169.6	167.6	0	0	113.6	N696 I697 L702 D703	N696-E699 WeakPolarHBondContact O-CA 3.47Å; N696-E699 VanDerWaalsContact O-CB 3.27Å; N696-E699 WeakPolarHBondContact O-CB 3.4Å; N696-E699 PolarHBondContact O-N 2.96Å; N696-E699 PolarHBondContact OD1-OE2 3.22Å; I697-E699 PolarHBondContact O-N 3.01Å; E699-L702 CarbonylContact O-C 3.51Å; E699-D703 WeakPolarHBondContact O-CA 3.32Å; E699-D703 WeakPolarHBondContact O-CB 3.39Å; E699-D703 PolarHBondContact O-N 3.35Å
700	I	56.3	Low	59.1	Low	50 Å²	50	77.7 Å²	77.7	26%	0.256	38%	0.38	S	S	.	.	H	α-helix	trans	-70.8	-48.7	-178.7	-64.2	160.4	0	0	0	112	Y148 M692 N696 I697 L702 D703 E704	Y148-I700 HydrophobicContact CE1-CD1 4.02Å; Y148-I700 HydrophobicContact CE1-CG2 4.11Å; Y148-I700 WeakPolarHBondContact OH-CD1 3.48Å; M692-I700 HydrophobicContact CE-CD1 4.29Å; N696-I700 PolarHBondContact O-N 2.98Å; I697-I700 HydrophobicContact CG1-CB 4.47Å; I697-I700 HydrophobicContact CG1-CD1 3.87Å; I697-I700 PolarHBondContact O-N 3.06Å; I700-L702 VanDerWaalsContact C-N 3.32Å; I700-D703 PolarHBondContact O-N 3.45Å; I700-D703 VanDerWaalsContact O-N 3.13Å; I700-E704 PolarHBondContact O-N 2.83Å
701	V	62.8	Low	59.9	Low	12 Å²	12	71.3 Å²	71.3	7%	0.073	35%	0.35	C	S	.	.	H	α-helix	trans	-62.8	-43.2	175.9	170.6	0	0	0	0	109.3	L354 E358 F411 I697 D703 E704 H705	L354-V701 HydrophobicContact CB-CG1 4.42Å; E358-V701 HydrophobicContact CG-CG1 4.35Å; E358-V701 HydrophobicContact CG-CG2 4.07Å; F411-V701 HydrophobicContact CE2-CG1 4.3Å; F411-V701 HydrophobicContact CZ-CG1 3.89Å; I697-V701 HydrophobicContact CG2-CG2 3.84Å; I697-V701 WeakPolarHBondContact O-CB 3.35Å; I697-V701 PolarHBondContact O-N 3.08Å; V701-D703 VanDerWaalsContact C-N 3.29Å; V701-D703 PolarHBondContact O-N 3.17Å; V701-E704 PolarHBondContact O-N 2.94Å; V701-H705 WeakPolarHBondContact O-CB 3.25Å; V701-H705 PolarHBondContact O-N 2.93Å
702	L	63.9	Low	60.8	Low	33 Å²	33	65.5 Å²	65.5	17%	0.173	32%	0.324	C	S	.	.	H	α-helix	trans	-69.6	-24	174.5	-63.1	168.8	0	0	0	112.4	L354 N698 E699 I700 K706	L354-L702 HydrophobicContact CD1-CD2 4.48Å; N698-L702 HydrophobicContact CB-CD1 4.22Å; N698-L702 WeakPolarHBondContact O-CA 3.25Å; N698-L702 WeakPolarHBondContact O-CB 3.41Å; N698-L702 WeakPolarHBondContact O-CD1 3.48Å; N698-L702 WeakPolarHBondContact O-CG 3.47Å; N698-L702 PolarHBondContact O-N 3.14Å; E699-L702 CarbonylContact O-C 3.51Å; I700-L702 VanDerWaalsContact C-N 3.32Å; L702-K706 VanDerWaalsContact O-CB 3.26Å; L702-K706 WeakPolarHBondContact O-CB 3.27Å; L702-K706 WeakPolarHBondContact O-CD 3.25Å; L702-K706 WeakPolarHBondContact O-CG 3.21Å; L702-K706 PolarHBondContact O-N 3.33Å
703	D	65.8	Low	61.2	Low	79 Å²	79	64.6 Å²	64.6	42%	0.422	33%	0.328	S	S	.	.	H	α-helix	trans	-76.7	-43.4	174.7	-168.3	65.7	0	0	0	111.5	E699 I700 V701 H705 K706 N707	E699-D703 WeakPolarHBondContact O-CA 3.32Å; E699-D703 WeakPolarHBondContact O-CB 3.39Å; E699-D703 PolarHBondContact O-N 3.35Å; I700-D703 PolarHBondContact O-N 3.45Å; I700-D703 VanDerWaalsContact O-N 3.13Å; V701-D703 VanDerWaalsContact C-N 3.29Å; V701-D703 PolarHBondContact O-N 3.17Å; D703-H705 VanDerWaalsContact C-N 3.31Å; D703-H705 PolarHBondContact O-N 3.03Å; D703-K706 CarbonylContact O-C 3.6Å; D703-K706 WeakPolarHBondContact O-CB 2.86Å; D703-K706 PolarHBondContact O-N 3.47Å; D703-N707 WeakPolarHBondContact O-CB 3.31Å; D703-N707 PolarHBondContact O-N 3.28Å; D703-N707 PolarHBondContact O-ND2 2.77Å; D703-N707 PolarHBondContact OD2-ND2 2.69Å; D703-N707 VanDerWaalsContact OD2-ND2 3.1Å
704	E	70	Confident	61.5	Low	30 Å²	30	63.9 Å²	63.9	14%	0.14	33%	0.327	C	S	.	.	H	α-helix	trans	-61.6	-44.4	170.6	-168.3	-175.2	161.5	0	0	110.3	S141 R145 R415 I700 V701 K706 N707 I708	S141-E704 PolarHBondContact OG-OE1 3.38Å; R145-E704 WeakPolarHBondContact CD-OE2 3.2Å; R145-E704 IonicContact NH1-OE1 3.9Å; R145-E704 PolarHBondContact NH1-OE1 2.59Å; R145-E704 IonicContact NH1-OE2 3.13Å; R415-E704 IonicContact CZ-OE1 3.97Å; R415-E704 IonicContact CZ-OE2 2.75Å; R415-E704 IonicContact NH1-OE1 2.75Å; R415-E704 PolarHBondContact NH1-OE1 3.4Å; R415-E704 IonicContact NH2-OE1 2.73Å; R415-E704 PolarHBondContact NH2-OE1 2.98Å; R415-E704 VanDerWaalsContact NH2-OE1 3.12Å; R415-E704 IonicContact NH2-OE2 3.81Å; R415-E704 PolarHBondContact NH2-OE2 3.44Å; I700-E704 PolarHBondContact O-N 2.83Å; V701-E704 PolarHBondContact O-N 2.94Å; E704-K706 PolarHBondContact O-N 3.44Å; E704-N707 CarbonylContact O-C 3.48Å; E704-N707 WeakPolarHBondContact O-CB 3.33Å; E704-N707 PolarHBondContact O-N 3.27Å; E704-I708 HydrophobicContact CG-CD1 4.09Å; E704-I708 HydrophobicContact CG-CG1 4.48Å; E704-I708 WeakPolarHBondContact O-CG1 3.34Å; E704-I708 PolarHBondContact O-N 2.85Å
705	H	74.6	Confident	61.6	Low	10 Å²	10	65.3 Å²	65.3	5%	0.046	32%	0.323	C	S	.	.	H	α-helix	trans	-52.4	-54.2	171.6	-174.4	75.3	0	0	0	110.9	L354 E407 F411 V701 D703 N707 I708 M709	L354-H705 HydrophobicContact CD1-CB 4.44Å; E407-H705 VanDerWaalsContact CB-CE1 3.44Å; E407-H705 WeakPolarHBondContact CB-CE1 2.9Å; E407-H705 IonicContact OE2-CD2 3.33Å; E407-H705 IonicContact OE2-CE1 3.59Å; E407-H705 IonicContact OE2-NE2 3.32Å; E407-H705 PolarHBondContact OE2-NE2 2.98Å; F411-H705 HydrophobicContact CD2-CB 4.28Å; F411-H705 AromaticContact CD2-ND1 3.65Å; F411-H705 HydrophobicContact CE2-CB 4.28Å; V701-H705 WeakPolarHBondContact O-CB 3.25Å; V701-H705 PolarHBondContact O-N 2.93Å; D703-H705 VanDerWaalsContact C-N 3.31Å; D703-H705 PolarHBondContact O-N 3.03Å; H705-N707 PolarHBondContact O-N 3.09Å; H705-I708 PolarHBondContact O-N 2.82Å; H705-I708 VanDerWaalsContact O-N 3.14Å; H705-M709 WeakPolarHBondContact O-CB 3.5Å; H705-M709 WeakPolarHBondContact O-CG 3.33Å; H705-M709 PolarHBondContact O-N 2.82Å
706	K	73.5	Confident	61.6	Low	103 Å²	103	60.9 Å²	60.9	45%	0.448	31%	0.314	S	S	.	.	H	α-helix	trans	-55.3	-38.5	175.8	-78.4	164.4	-173.4	176.6	0	112.1	L702 D703 E704 M709 K710	L702-K706 VanDerWaalsContact O-CB 3.26Å; L702-K706 WeakPolarHBondContact O-CB 3.27Å; L702-K706 WeakPolarHBondContact O-CD 3.25Å; L702-K706 WeakPolarHBondContact O-CG 3.21Å; L702-K706 PolarHBondContact O-N 3.33Å; D703-K706 CarbonylContact O-C 3.6Å; D703-K706 WeakPolarHBondContact O-CB 2.86Å; D703-K706 PolarHBondContact O-N 3.47Å; E704-K706 PolarHBondContact O-N 3.44Å; K706-M709 PolarHBondContact O-N 3.44Å; K706-K710 WeakPolarHBondContact O-CB 3.29Å; K706-K710 VanDerWaalsContact O-CG 3.22Å; K706-K710 WeakPolarHBondContact O-CG 3.17Å; K706-K710 PolarHBondContact O-N 3.45Å
707	N	73.4	Confident	60.9	Low	61 Å²	61	64.1 Å²	64.1	33%	0.326	33%	0.331	S	S	.	.	H	α-helix	trans	-71.2	-39.7	179.2	-69.6	-35.4	0	0	0	112.3	D703 E704 H705 K710 R711	D703-N707 WeakPolarHBondContact O-CB 3.31Å; D703-N707 PolarHBondContact O-N 3.28Å; D703-N707 PolarHBondContact O-ND2 2.77Å; D703-N707 PolarHBondContact OD2-ND2 2.69Å; D703-N707 VanDerWaalsContact OD2-ND2 3.1Å; E704-N707 CarbonylContact O-C 3.48Å; E704-N707 WeakPolarHBondContact O-CB 3.33Å; E704-N707 PolarHBondContact O-N 3.27Å; H705-N707 PolarHBondContact O-N 3.09Å; N707-K710 PolarHBondContact O-N 3.29Å; N707-R711 WeakPolarHBondContact O-CG 3.48Å; N707-R711 PolarHBondContact O-N 2.85Å
708	I	72.7	Confident	60.3	Low	2 Å²	2	70.5 Å²	70.5	1%	0.01	37%	0.366	C	S	.	.	H	α-helix	trans	-61.7	-47.4	170.8	-69.3	166.8	0	0	0	109.6	E410 F411 F414 E704 H705 K710 R711 M712	E410-I708 HydrophobicContact CG-CG2 3.52Å; F411-I708 HydrophobicContact CD2-CD1 4.22Å; F414-I708 HydrophobicContact CB-CD1 4.11Å; F414-I708 HydrophobicContact CD2-CD1 3.84Å; F414-I708 HydrophobicContact CD2-CG1 4.04Å; F414-I708 HydrophobicContact CD2-CG2 3.79Å; F414-I708 HydrophobicContact CE2-CB 4.45Å; F414-I708 HydrophobicContact CE2-CD1 4.44Å; F414-I708 HydrophobicContact CE2-CG1 4.13Å; F414-I708 HydrophobicContact CE2-CG2 3.6Å; F414-I708 HydrophobicContact CG-CD1 3.93Å; F414-I708 HydrophobicContact CG-CG1 4.36Å; E704-I708 HydrophobicContact CG-CD1 4.09Å; E704-I708 HydrophobicContact CG-CG1 4.48Å; E704-I708 WeakPolarHBondContact O-CG1 3.34Å; E704-I708 PolarHBondContact O-N 2.85Å; H705-I708 PolarHBondContact O-N 2.82Å; H705-I708 VanDerWaalsContact O-N 3.14Å; I708-K710 PolarHBondContact O-N 3.5Å; I708-R711 WeakPolarHBondContact O-CB 3.32Å; I708-R711 PolarHBondContact O-N 3.27Å; I708-R711 VanDerWaalsContact O-N 3.11Å; I708-M712 PolarHBondContact O-N 2.9Å; I708-M712 VanDerWaalsContact O-N 3.09Å
709	M	75.1	Confident	59.1	Low	40 Å²	40	74.3 Å²	74.3	20%	0.197	39%	0.386	C	S	.	.	H	α-helix	trans	-61.4	-41.1	178.4	-65.8	-44.6	-58.8	0	0	112.7	E407 H705 K706 R711 M712 G713	E407-M709 HydrophobicContact CB-CE 3.98Å; E407-M709 HydrophobicContact CB-SD 3.51Å; E407-M709 VanDerWaalsContact CB-SD 3.51Å; E407-M709 HydrophobicContact CG-CE 3.39Å; E407-M709 HydrophobicContact CG-SD 3.61Å; E407-M709 VanDerWaalsContact OE1-CE 3.25Å; E407-M709 WeakPolarHBondContact OE1-CE 3.3Å; H705-M709 WeakPolarHBondContact O-CB 3.5Å; H705-M709 WeakPolarHBondContact O-CG 3.33Å; H705-M709 PolarHBondContact O-N 2.82Å; K706-M709 PolarHBondContact O-N 3.44Å; M709-R711 VanDerWaalsContact C-N 3.28Å; M709-R711 PolarHBondContact O-N 3.07Å; M709-M712 HydrophobicContact CE-CE 3.24Å; M709-M712 PolarHBondContact O-N 2.74Å; M709-M712 HydrophobicContact SD-CE 3.12Å; M709-M712 WeakPolarHBondContact SD-CE 3.28Å; M709-G713 PolarHBondContact O-N 3.42Å
710	K	72.5	Confident	57.7	Low	135 Å²	135	75.1 Å²	75.1	59%	0.587	40%	0.395	S	S	*	.	H	α-helix	trans	-59.5	-38.4	174.7	-79.1	169.8	-174.4	170.5	0	111.9	K706 N707 I708 G713 S714	K706-K710 WeakPolarHBondContact O-CB 3.29Å; K706-K710 VanDerWaalsContact O-CG 3.22Å; K706-K710 WeakPolarHBondContact O-CG 3.17Å; K706-K710 PolarHBondContact O-N 3.45Å; N707-K710 PolarHBondContact O-N 3.29Å; I708-K710 PolarHBondContact O-N 3.5Å; K710-G713 PolarHBondContact O-N 3.44Å; K710-S714 PolarHBondContact O-N 3.41Å
711	R	69.4	Low	56.3	Low	91 Å²	91	82.4 Å²	82.4	34%	0.343	42%	0.421	S	S	.	.	H	α-helix	trans	-67.2	-41.6	176.4	-68	173.5	-173.1	-179.1	1.8	111.7	N707 I708 M709 G713 S714 N715	N707-R711 WeakPolarHBondContact O-CG 3.48Å; N707-R711 PolarHBondContact O-N 2.85Å; I708-R711 WeakPolarHBondContact O-CB 3.32Å; I708-R711 PolarHBondContact O-N 3.27Å; I708-R711 VanDerWaalsContact O-N 3.11Å; M709-R711 VanDerWaalsContact C-N 3.28Å; M709-R711 PolarHBondContact O-N 3.07Å; R711-G713 PolarHBondContact O-N 2.87Å; R711-S714 PolarHBondContact O-N 2.92Å; R711-N715 PolarHBondContact O-N 3.11Å
712	M	66.5	Low	54.4	Low	42 Å²	42	89.1 Å²	89.1	21%	0.207	45%	0.454	C	S	.	.	H	α-helix	trans	-60.8	-44.1	173.7	-73.9	-157.2	-78.1	0	0	112.1	E410 I708 M709 S714 N715 N716	E410-M712 HydrophobicContact CB-CE 3.59Å; E410-M712 HydrophobicContact CB-SD 3.77Å; E410-M712 HydrophobicContact CG-CE 3.63Å; E410-M712 HydrophobicContact CG-CG 4.16Å; E410-M712 HydrophobicContact CG-SD 3.56Å; E410-M712 VanDerWaalsContact CG-SD 3.56Å; I708-M712 PolarHBondContact O-N 2.9Å; I708-M712 VanDerWaalsContact O-N 3.09Å; M709-M712 HydrophobicContact CE-CE 3.24Å; M709-M712 PolarHBondContact O-N 2.74Å; M709-M712 HydrophobicContact SD-CE 3.12Å; M709-M712 WeakPolarHBondContact SD-CE 3.28Å; M712-S714 PolarHBondContact O-N 2.92Å; M712-N715 PolarHBondContact O-N 3.35Å; M712-N716 PolarHBondContact O-N 3.28Å; M712-N716 VanDerWaalsContact O-N 3.09Å
713	G	55.1	Low	52.6	Low	34 Å²	34	97.3 Å²	97.3	35%	0.351	49%	0.485	S	S	.	.	H	α-helix	trans	-62.2	-40.8	176.1	0	0	0	0	0	113.1	M709 K710 R711 N715 N716 N717	M709-G713 PolarHBondContact O-N 3.42Å; K710-G713 PolarHBondContact O-N 3.44Å; R711-G713 PolarHBondContact O-N 2.87Å; G713-N715 VanDerWaalsContact C-N 3.33Å; G713-N715 PolarHBondContact O-N 3.48Å; G713-N716 PolarHBondContact O-N 2.98Å; G713-N717 PolarHBondContact O-N 2.99Å
714	S	50.5	Low	50.7	Low	82 Å²	82	102.2 Å²	102.2	57%	0.573	51%	0.505	S	S	*	.	H	α-helix	trans	-66.7	-32.7	177.5	-164.4	0	0	0	0	113	K710 R711 M712	K710-S714 PolarHBondContact O-N 3.41Å; R711-S714 PolarHBondContact O-N 2.92Å; M712-S714 PolarHBondContact O-N 2.92Å
715	N	46.1	Very low	48.8	Very low	115 Å²	115	108.3 Å²	108.3	62%	0.615	53%	0.533	S	S	*	.	H	α-helix	trans	-73.1	-33.1	175	-79.7	-13.3	0	0	0	112.3	R711 M712 G713	R711-N715 PolarHBondContact O-N 3.11Å; M712-N715 PolarHBondContact O-N 3.35Å; G713-N715 VanDerWaalsContact C-N 3.33Å; G713-N715 PolarHBondContact O-N 3.48Å
716	N	40.1	Very low	46.6	Very low	111 Å²	111	116.7 Å²	116.7	59%	0.594	57%	0.569	S	S	*	*	H	α-helix	trans	-75.6	-20.1	177.9	-79.5	-13.8	0	0	0	113.9	M712 G713 N718 N719	M712-N716 PolarHBondContact O-N 3.28Å; M712-N716 VanDerWaalsContact O-N 3.09Å; G713-N716 PolarHBondContact O-N 2.98Å; N716-N718 PolarHBondContact O-N 3.01Å; N716-N719 PolarHBondContact O-N 2.97Å
717	N	32.6	Very low	44.5	Very low	127 Å²	127	118.9 Å²	118.9	68%	0.679	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-1.9	176.8	-80	-12.1	0	0	0	114.7	G713 N719	G713-N717 PolarHBondContact O-N 2.99Å; N717-N719 VanDerWaalsContact C-N 3.28Å
718	N	36.9	Very low	42.5	Very low	146 Å²	146	122.9 Å²	122.9	78%	0.781	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-5.6	164.3	-79.2	-14.5	0	0	0	113.8	N716	N716-N718 PolarHBondContact O-N 3.01Å
719	N	29.2	Very low	40.4	Very low	126 Å²	126	127.8 Å²	127.8	67%	0.674	63%	0.633	S	S	*	*	S	Bend	trans	-122.2	105	172.8	-72.7	-24	0	0	0	109.4	N716 N717 Y721	N716-N719 PolarHBondContact O-N 2.97Å; N717-N719 VanDerWaalsContact C-N 3.28Å; N719-Y721 PolarHBondContact O-N 3.04Å
720	N	24.6	Very low	38.4	Very low	149 Å²	149	135.7 Å²	135.7	80%	0.797	66%	0.662	S	S	*	*			trans	-56.7	98.2	-179.4	-74.5	-30.8	0	0	0	112.6
721	Y	26.3	Very low	36.5	Very low	203 Å²	203	138.4 Å²	138.4	80%	0.796	67%	0.671	S	S	*	*			trans	-134.7	101.1	154.1	-85.6	-82.8	0	0	0	108.8	N719 Y723	N719-Y721 PolarHBondContact O-N 3.04Å; Y721-Y723 PolarHBondContact O-N 3.1Å
722	I	23.8	Very low	34.5	Very low	153 Å²	153	143.1 Å²	143.1	79%	0.785	69%	0.688	S	S	*	*			trans	-75.4	99.5	173.7	-59.9	169.2	0	0	0	106.9
723	Y	25.6	Very low	32.7	Very low	205 Å²	205	145.8 Å²	145.8	80%	0.804	71%	0.709	S	S	*	*			trans	-106.1	109.6	157.5	-87.2	-81.7	0	0	0	108.2	Y721 H725	Y721-Y723 PolarHBondContact O-N 3.1Å; Y723-H725 PolarHBondContact O-N 2.82Å
724	E	27.1	Very low	31.8	Very low	181 Å²	181	151 Å²	151	85%	0.846	73%	0.727	S	S	*	*			trans	-59	120.2	174.8	-76.4	-178.8	143.7	0	0	110.5	K726	E724-K726 PolarHBondContact O-N 2.86Å; E724-K726 VanDerWaalsContact O-N 3.13Å
725	H	29.2	Very low	31.1	Very low	158 Å²	158	153.4 Å²	153.4	73%	0.731	73%	0.734	S	S	*	*			trans	-59.9	107.5	170.9	-88.8	-106.1	0	0	0	111	Y723	Y723-H725 PolarHBondContact O-N 2.82Å
726	K	29.5	Very low	31.1	Very low	186 Å²	186	154.4 Å²	154.4	81%	0.809	74%	0.738	S	S	*	*			trans	-126.3	98.6	151	-84.4	-177.9	179	173.2	0	107.2	E724	E724-K726 PolarHBondContact O-N 2.86Å; E724-K726 VanDerWaalsContact O-N 3.13Å
727	N	29.1	Very low	31.4	Very low	149 Å²	149	156.6 Å²	156.6	80%	0.797	74%	0.738	S	S	*	*			trans	164.7	67.6	149.6	-81.1	-14.2	0	0	0	109.9
728	D	29.9	Very low	33	Very low	145 Å²	145	153.3 Å²	153.3	78%	0.775	73%	0.725	S	S	*	*			trans	-106.6	41.8	165.2	-82.4	-32.8	0	0	0	110.5
729	D	29.7	Very low	34.7	Very low	105 Å²	105	152.8 Å²	152.8	56%	0.561	72%	0.723	S	S	*	*			trans	-103.4	5.2	175.7	-98.7	-34.9	0	0	0	113.8	Y731 R732	D729-Y731 PolarHBondContact O-N 2.88Å; D729-R732 IonicContact OD1-CZ 3.33Å; D729-R732 IonicContact OD1-NE 3.81Å; D729-R732 PolarHBondContact OD1-NE 3.05Å; D729-R732 IonicContact OD1-NH2 3.21Å; D729-R732 PolarHBondContact OD1-NH2 2.78Å; D729-R732 IonicContact OD2-NH2 3.63Å
730	Y	33.3	Very low	36.6	Very low	206 Å²	206	154.5 Å²	154.5	81%	0.808	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	69.7	170.6	-89.6	-94	0	0	0	110.5
731	Y	31.5	Very low	39	Very low	193 Å²	193	150.7 Å²	150.7	76%	0.757	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	170.2	56.4	155.4	-87.3	-66.1	0	0	0	107.7	D729 P733	D729-Y731 PolarHBondContact O-N 2.88Å; Y731-P733 WeakPolarHBondContact O-CD 3.48Å
732	R	27.3	Very low	41.2	Very low	190 Å²	190	145.7 Å²	145.7	72%	0.717	69%	0.69	S	S	*	*			trans	-82	107.8	156.7	-73.1	-170.7	-167.5	-166.3	5.1	106.3	D729 I734	D729-R732 IonicContact OD1-CZ 3.33Å; D729-R732 IonicContact OD1-NE 3.81Å; D729-R732 PolarHBondContact OD1-NE 3.05Å; D729-R732 IonicContact OD1-NH2 3.21Å; D729-R732 PolarHBondContact OD1-NH2 2.78Å; D729-R732 IonicContact OD2-NH2 3.63Å; R732-I734 PolarHBondContact O-N 3.49Å; R732-I734 VanDerWaalsContact O-N 3.12Å
733	P	29.9	Very low	43.8	Very low	97 Å²	97	143.7 Å²	143.7	63%	0.63	68%	0.68	S	S	*	*			trans	-50.9	129.8	160.8	22.9	-30.6	0	0	0	105.5	Y731 N735	Y731-P733 WeakPolarHBondContact O-CD 3.48Å; P733-N735 PolarHBondContact O-N 2.05Å
734	I	36.2	Very low	46.5	Very low	143 Å²	143	138.4 Å²	138.4	73%	0.733	67%	0.665	S	S	*	*			trans	-62.4	83.5	173.1	-60.8	170.1	0	0	0	105.3	R732 L736	R732-I734 PolarHBondContact O-N 3.49Å; R732-I734 VanDerWaalsContact O-N 3.12Å; I734-L736 HydrophobicContact CG2-CB 4.28Å; I734-L736 HydrophobicContact CG2-CD1 3.5Å; I734-L736 HydrophobicContact CG2-CG 3.49Å; I734-L736 VanDerWaalsContact CG2-CG 3.49Å; I734-L736 PolarHBondContact O-N 3.4Å
735	N	35.8	Very low	48.9	Very low	134 Å²	134	131.5 Å²	131.5	72%	0.717	64%	0.642	S	S	*	*			trans	-70	77	165.8	-96	-18.1	0	0	0	104.5	P733 W737	P733-N735 PolarHBondContact O-N 2.05Å; N735-W737 PolarHBondContact O-N 3.11Å
736	L	46.5	Very low	51.5	Low	136 Å²	136	128.4 Å²	128.4	71%	0.712	63%	0.63	S	S	*	*			trans	-60.4	-7.6	174.6	-100.9	147.1	0	0	0	111.8	I734	I734-L736 HydrophobicContact CG2-CB 4.28Å; I734-L736 HydrophobicContact CG2-CD1 3.5Å; I734-L736 HydrophobicContact CG2-CG 3.49Å; I734-L736 VanDerWaalsContact CG2-CG 3.49Å; I734-L736 PolarHBondContact O-N 3.4Å
737	W	44.8	Very low	54.3	Low	156 Å²	156	126.7 Å²	126.7	59%	0.591	62%	0.623	S	S	*	*	S	Bend	trans	-139.2	119.8	-176.9	-59.3	70.3	0	0	0	107.1	N735 D741	N735-W737 PolarHBondContact O-N 3.11Å; W737-D741 HydrophobicContact CB-CB 4.1Å; W737-D741 HydrophobicContact CD2-CB 4.4Å; W737-D741 HydrophobicContact CE3-CB 3.74Å
738	S	66.1	Low	56.9	Low	59 Å²	59	124.1 Å²	124.1	41%	0.413	61%	0.608	S	S	.	*			trans	-62.7	157.1	165.2	71.7	0	0	0	0	108.7	K740 D741 L742	S738-K740 PolarHBondContact O-N 3.09Å; S738-K740 WeakPolarHBondContact OG-CB 3.13Å; S738-K740 PolarHBondContact OG-N 3.12Å; S738-D741 WeakPolarHBondContact CB-OD2 3.43Å; S738-D741 PolarHBondContact N-OD2 3.42Å; S738-D741 PolarHBondContact O-N 3.17Å; S738-D741 VanDerWaalsContact OG-CG 3.25Å; S738-D741 PolarHBondContact OG-N 2.87Å; S738-D741 PolarHBondContact OG-OD2 3.06Å; S738-L742 PolarHBondContact O-N 3.38Å; S738-L742 VanDerWaalsContact O-N 3.14Å
739	N	73.2	Confident	59.4	Low	135 Å²	135	118.7 Å²	118.7	72%	0.722	59%	0.587	S	S	*	*	H	α-helix	trans	-52.7	-26.8	173.1	-75.4	-23.6	0	0	0	112.1	L743	N739-L743 WeakPolarHBondContact O-CB 3.37Å; N739-L743 WeakPolarHBondContact O-CD1 3.45Å; N739-L743 VanDerWaalsContact O-CG 3.22Å; N739-L743 WeakPolarHBondContact O-CG 3.44Å; N739-L743 PolarHBondContact O-N 3.35Å; N739-L743 VanDerWaalsContact O-N 3.14Å
740	K	69.7	Low	62.1	Low	162 Å²	162	118 Å²	118	70%	0.704	58%	0.582	S	S	*	*	H	α-helix	trans	-65.8	-45.8	171.7	-93.4	-177.2	174	179.8	0	112.6	S738 L742 L743 I744	S738-K740 PolarHBondContact O-N 3.09Å; S738-K740 WeakPolarHBondContact OG-CB 3.13Å; S738-K740 PolarHBondContact OG-N 3.12Å; K740-L742 VanDerWaalsContact C-N 3.35Å; K740-L742 PolarHBondContact O-N 2.66Å; K740-L743 PolarHBondContact O-N 3.01Å; K740-I744 VanDerWaalsContact O-CG1 3.24Å; K740-I744 WeakPolarHBondContact O-CG1 3.11Å; K740-I744 PolarHBondContact O-N 3.01Å
741	D	74.4	Confident	64.1	Low	68 Å²	68	112.7 Å²	112.7	36%	0.364	57%	0.567	S	S	.	*	H	α-helix	trans	-67	-38.5	-178.3	-54.8	-48.9	0	0	0	111.5	W737 S738 I744 G745	W737-D741 HydrophobicContact CB-CB 4.1Å; W737-D741 HydrophobicContact CD2-CB 4.4Å; W737-D741 HydrophobicContact CE3-CB 3.74Å; S738-D741 WeakPolarHBondContact CB-OD2 3.43Å; S738-D741 PolarHBondContact N-OD2 3.42Å; S738-D741 PolarHBondContact O-N 3.17Å; S738-D741 VanDerWaalsContact OG-CG 3.25Å; S738-D741 PolarHBondContact OG-N 2.87Å; S738-D741 PolarHBondContact OG-OD2 3.06Å; D741-I744 PolarHBondContact O-N 3.25Å; D741-G745 PolarHBondContact O-N 3.18Å
742	L	72.7	Confident	66.1	Low	99 Å²	99	108 Å²	108	52%	0.518	56%	0.555	S	S	.	*	H	α-helix	trans	-61.7	-46.1	173.5	-165.6	85.4	0	0	0	111.2	S738 K740 G745 I746	S738-L742 PolarHBondContact O-N 3.38Å; S738-L742 VanDerWaalsContact O-N 3.14Å; K740-L742 VanDerWaalsContact C-N 3.35Å; K740-L742 PolarHBondContact O-N 2.66Å; L742-G745 PolarHBondContact O-N 3.43Å; L742-I746 HydrophobicContact CD2-CD1 4.47Å; L742-I746 HydrophobicContact CG-CD1 4.33Å; L742-I746 WeakPolarHBondContact O-CG1 3.43Å; L742-I746 PolarHBondContact O-N 3.32Å
743	L	78.7	Confident	68.3	Low	111 Å²	111	103.3 Å²	103.3	58%	0.581	55%	0.547	S	S	*	.	H	α-helix	trans	-64.1	-40.4	177.7	-76.3	168.9	0	0	0	112.1	N739 K740 I746 F747	N739-L743 WeakPolarHBondContact O-CB 3.37Å; N739-L743 WeakPolarHBondContact O-CD1 3.45Å; N739-L743 VanDerWaalsContact O-CG 3.22Å; N739-L743 WeakPolarHBondContact O-CG 3.44Å; N739-L743 PolarHBondContact O-N 3.35Å; N739-L743 VanDerWaalsContact O-N 3.14Å; K740-L743 PolarHBondContact O-N 3.01Å; L743-I746 PolarHBondContact O-N 3.34Å; L743-F747 WeakPolarHBondContact O-CB 3.38Å; L743-F747 PolarHBondContact O-N 2.78Å
744	I	81.3	Confident	70.5	Confident	93 Å²	93	103.3 Å²	103.3	48%	0.477	54%	0.541	S	S	.	.	H	α-helix	trans	-61.7	-45.4	174.7	-69.8	163.7	0	0	0	110.2	K740 D741 I746 F747 I748	K740-I744 VanDerWaalsContact O-CG1 3.24Å; K740-I744 WeakPolarHBondContact O-CG1 3.11Å; K740-I744 PolarHBondContact O-N 3.01Å; D741-I744 PolarHBondContact O-N 3.25Å; I744-I746 PolarHBondContact O-N 3.41Å; I744-F747 PolarHBondContact O-N 3.06Å; I744-I748 HydrophobicContact CG2-CD1 3.69Å; I744-I748 HydrophobicContact CG2-CG1 4.34Å; I744-I748 VanDerWaalsContact O-CG1 3.31Å; I744-I748 WeakPolarHBondContact O-CG1 3.27Å; I744-I748 PolarHBondContact O-N 3.03Å
745	G	77.6	Confident	71.7	Confident	36 Å²	36	101.7 Å²	101.7	37%	0.371	53%	0.533	S	S	.	.	H	α-helix	trans	-59.7	-44.4	177	0	0	0	0	0	112.9	D741 L742 F747 I748 G749	D741-G745 PolarHBondContact O-N 3.18Å; L742-G745 PolarHBondContact O-N 3.43Å; G745-F747 VanDerWaalsContact C-N 3.33Å; G745-F747 PolarHBondContact O-N 3.36Å; G745-I748 PolarHBondContact O-N 2.96Å; G745-G749 PolarHBondContact O-N 3.09Å
746	I	85.3	Confident	72.7	Confident	93 Å²	93	101.2 Å²	101.2	48%	0.477	53%	0.531	S	S	.	.	H	α-helix	trans	-60.7	-44.5	174.5	-68.2	166.3	0	0	0	110.4	L742 L743 I744 G749 I750	L742-I746 HydrophobicContact CD2-CD1 4.47Å; L742-I746 HydrophobicContact CG-CD1 4.33Å; L742-I746 WeakPolarHBondContact O-CG1 3.43Å; L742-I746 PolarHBondContact O-N 3.32Å; L743-I746 PolarHBondContact O-N 3.34Å; I744-I746 PolarHBondContact O-N 3.41Å; I746-G749 PolarHBondContact O-N 3.2Å; I746-I750 HydrophobicContact CG2-CD1 3.85Å; I746-I750 WeakPolarHBondContact O-CG1 3.24Å; I746-I750 PolarHBondContact O-N 2.65Å
747	F	86.4	Confident	72.9	Confident	150 Å²	150	104.3 Å²	104.3	66%	0.658	53%	0.533	S	S	*	.	H	α-helix	trans	-64.3	-43.5	-179.2	-140.7	-87.1	0	0	0	112.1	L743 I744 G745 G749 I750 L751	L743-F747 WeakPolarHBondContact O-CB 3.38Å; L743-F747 PolarHBondContact O-N 2.78Å; I744-F747 PolarHBondContact O-N 3.06Å; G745-F747 VanDerWaalsContact C-N 3.33Å; G745-F747 PolarHBondContact O-N 3.36Å; F747-G749 VanDerWaalsContact C-N 3.34Å; F747-G749 PolarHBondContact O-N 2.88Å; F747-I750 PolarHBondContact O-N 3.39Å; F747-L751 WeakPolarHBondContact O-CB 3.05Å; F747-L751 PolarHBondContact O-N 3.27Å
748	I	84.7	Confident	73	Confident	95 Å²	95	104.2 Å²	104.2	49%	0.487	54%	0.539	S	S	.	.	H	α-helix	trans	-61.9	-42.7	175.6	-68.5	168.3	0	0	0	110.6	I744 G745 L751 L752	I744-I748 HydrophobicContact CG2-CD1 3.69Å; I744-I748 HydrophobicContact CG2-CG1 4.34Å; I744-I748 VanDerWaalsContact O-CG1 3.31Å; I744-I748 WeakPolarHBondContact O-CG1 3.27Å; I744-I748 PolarHBondContact O-N 3.03Å; G745-I748 PolarHBondContact O-N 2.96Å; I748-L751 PolarHBondContact O-N 3.36Å; I748-L752 HydrophobicContact CG2-CD1 3.86Å; I748-L752 WeakPolarHBondContact O-CB 3.14Å; I748-L752 PolarHBondContact O-N 2.89Å
749	G	81.4	Confident	72	Confident	31 Å²	31	111.5 Å²	111.5	32%	0.32	56%	0.557	S	S	.	*	H	α-helix	trans	-62	-44	177	0	0	0	0	0	112.9	G745 I746 F747 T753	G745-G749 PolarHBondContact O-N 3.09Å; I746-G749 PolarHBondContact O-N 3.2Å; F747-G749 VanDerWaalsContact C-N 3.34Å; F747-G749 PolarHBondContact O-N 2.88Å; G749-T753 WeakPolarHBondContact O-CB 3.34Å; G749-T753 PolarHBondContact O-N 2.72Å; G749-T753 PolarHBondContact O-OG1 2.62Å
750	I	86.7	Confident	70.3	Confident	92 Å²	92	111.7 Å²	111.7	47%	0.472	56%	0.558	S	S	.	*	H	α-helix	trans	-62.5	-45.1	175	-67.8	167.9	0	0	0	110.3	I746 F747 T753 L754	I746-I750 HydrophobicContact CG2-CD1 3.85Å; I746-I750 WeakPolarHBondContact O-CG1 3.24Å; I746-I750 PolarHBondContact O-N 2.65Å; F747-I750 PolarHBondContact O-N 3.39Å; I750-T753 PolarHBondContact O-N 3.42Å; I750-L754 HydrophobicContact CG2-CD1 3.8Å; I750-L754 HydrophobicContact CG2-CG 4.33Å; I750-L754 WeakPolarHBondContact O-CB 3.28Å; I750-L754 WeakPolarHBondContact O-CG 3.49Å; I750-L754 PolarHBondContact O-N 3.24Å
751	L	76.3	Confident	68.5	Low	94 Å²	94	113.3 Å²	113.3	49%	0.492	57%	0.565	S	S	.	*	H	α-helix	trans	-63.4	-45	-179.1	-153	90.7	0	0	0	112	F747 I748 T753 L754 L755	F747-L751 WeakPolarHBondContact O-CB 3.05Å; F747-L751 PolarHBondContact O-N 3.27Å; I748-L751 PolarHBondContact O-N 3.36Å; L751-T753 VanDerWaalsContact C-N 3.33Å; L751-T753 PolarHBondContact O-N 2.88Å; L751-L754 PolarHBondContact O-N 2.74Å; L751-L755 HydrophobicContact CD2-CD1 4.23Å; L751-L755 HydrophobicContact CG-CD1 4.36Å; L751-L755 WeakPolarHBondContact O-CB 3.49Å; L751-L755 VanDerWaalsContact O-CG 3.28Å; L751-L755 WeakPolarHBondContact O-CG 3.4Å; L751-L755 PolarHBondContact O-N 3.13Å
752	L	72.6	Confident	66.3	Low	95 Å²	95	117.3 Å²	117.3	50%	0.497	59%	0.586	S	S	.	*	H	α-helix	trans	-61.1	-42.5	175	-86.4	161.4	0	0	0	111.6	I748 L755 L756	I748-L752 HydrophobicContact CG2-CD1 3.86Å; I748-L752 WeakPolarHBondContact O-CB 3.14Å; I748-L752 PolarHBondContact O-N 2.89Å; L752-L755 PolarHBondContact O-N 2.75Å; L752-L756 WeakPolarHBondContact O-CB 3.45Å; L752-L756 VanDerWaalsContact O-CG 3.25Å; L752-L756 WeakPolarHBondContact O-CG 3.4Å; L752-L756 PolarHBondContact O-N 3.45Å
753	T	74.9	Confident	64.7	Low	90 Å²	90	117.6 Å²	117.6	55%	0.552	59%	0.594	S	S	*	*	H	α-helix	trans	-64.9	-42.3	178.1	-52.7	0	0	0	0	110.9	G749 I750 L751 L756 R757	G749-T753 WeakPolarHBondContact O-CB 3.34Å; G749-T753 PolarHBondContact O-N 2.72Å; G749-T753 PolarHBondContact O-OG1 2.62Å; I750-T753 PolarHBondContact O-N 3.42Å; L751-T753 VanDerWaalsContact C-N 3.33Å; L751-T753 PolarHBondContact O-N 2.88Å; T753-L756 PolarHBondContact O-N 3.07Å; T753-R757 WeakPolarHBondContact O-CB 3.27Å; T753-R757 PolarHBondContact O-N 3.08Å
754	L	74.8	Confident	62.3	Low	97 Å²	97	122 Å²	122	51%	0.508	61%	0.608	S	S	.	*	H	α-helix	trans	-65.2	-43.1	175.5	-73.3	170.2	0	0	0	111.9	I750 L751 L756 R757 H758	I750-L754 HydrophobicContact CG2-CD1 3.8Å; I750-L754 HydrophobicContact CG2-CG 4.33Å; I750-L754 WeakPolarHBondContact O-CB 3.28Å; I750-L754 WeakPolarHBondContact O-CG 3.49Å; I750-L754 PolarHBondContact O-N 3.24Å; L751-L754 PolarHBondContact O-N 2.74Å; L754-L756 PolarHBondContact O-N 2.85Å; L754-R757 PolarHBondContact O-N 3.05Å; L754-H758 WeakPolarHBondContact O-CB 3.2Å; L754-H758 PolarHBondContact O-N 2.98Å
755	L	61.8	Low	59.8	Low	109 Å²	109	129.1 Å²	129.1	57%	0.571	63%	0.629	S	S	*	*	H	α-helix	trans	-63.6	-39.8	176.8	-76.7	166.3	0	0	0	112.2	L751 L752	L751-L755 HydrophobicContact CD2-CD1 4.23Å; L751-L755 HydrophobicContact CG-CD1 4.36Å; L751-L755 WeakPolarHBondContact O-CB 3.49Å; L751-L755 VanDerWaalsContact O-CG 3.28Å; L751-L755 WeakPolarHBondContact O-CG 3.4Å; L751-L755 PolarHBondContact O-N 3.13Å; L752-L755 PolarHBondContact O-N 2.75Å
756	L	57.9	Low	57.6	Low	125 Å²	125	137.1 Å²	137.1	65%	0.654	65%	0.654	S	S	*	*	H	α-helix	trans	-68.8	-37.6	174.3	-72.3	168.8	0	0	0	111.6	L752 T753 L754 R759	L752-L756 WeakPolarHBondContact O-CB 3.45Å; L752-L756 VanDerWaalsContact O-CG 3.25Å; L752-L756 WeakPolarHBondContact O-CG 3.4Å; L752-L756 PolarHBondContact O-N 3.45Å; T753-L756 PolarHBondContact O-N 3.07Å; L754-L756 PolarHBondContact O-N 2.85Å; L756-R759 PolarHBondContact O-N 3.17Å
757	R	49.9	Very low	54.9	Low	200 Å²	200	138.6 Å²	138.6	76%	0.755	67%	0.667	S	S	*	*	H	α-helix	trans	-73.9	-27.8	179.1	-154.4	175.1	-168.7	-178.3	2.9	112.9	T753 L754 R759	T753-R757 WeakPolarHBondContact O-CB 3.27Å; T753-R757 PolarHBondContact O-N 3.08Å; L754-R757 PolarHBondContact O-N 3.05Å; R757-R759 VanDerWaalsContact C-N 3.31Å
758	H	47.6	Very low	52.3	Low	155 Å²	155	141.2 Å²	141.2	72%	0.718	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-4.3	176.2	-116.7	-69.5	0	0	0	114.3	L754 N760	L754-H758 WeakPolarHBondContact O-CB 3.2Å; L754-H758 PolarHBondContact O-N 2.98Å; H758-N760 PolarHBondContact O-N 2.95Å
759	R	43.8	Very low	49.6	Very low	212 Å²	212	142.5 Å²	142.5	80%	0.8	69%	0.694	S	S	*	*			trans	-76.6	46.5	166	-84.9	-172.8	166.7	-179.2	-1.3	112.2	L756 R757 F761	L756-R759 PolarHBondContact O-N 3.17Å; R757-R759 VanDerWaalsContact C-N 3.31Å; R759-F761 PolarHBondContact O-N 2.87Å
760	N	37.3	Very low	47.7	Very low	138 Å²	138	148.6 Å²	148.6	74%	0.738	72%	0.72	S	S	*	*			trans	-91.3	76.3	157.3	-88.5	-19.6	0	0	0	108.5	H758	H758-N760 PolarHBondContact O-N 2.95Å
761	F	33	Very low	45.3	Very low	196 Å²	196	150.4 Å²	150.4	86%	0.86	73%	0.729	S	S	*	*			trans	-117.8	83.9	161	-95.7	-81.5	0	0	0	108.8	R759	R759-F761 PolarHBondContact O-N 2.87Å
762	L	28.6	Very low	43.9	Very low	153 Å²	153	150 Å²	150	80%	0.801	74%	0.735	S	S	*	*			trans	-64.5	143.9	144.8	-72.9	150.3	0	0	0	107.1
763	P	38.7	Very low	42.7	Very low	104 Å²	104	151.7 Å²	151.7	68%	0.675	74%	0.743	S	S	*	*			cis	-141.3	109.8	15.3	35.4	-12.1	0	0	0	113.9
764	F	28.5	Very low	41.5	Very low	204 Å²	204	152.8 Å²	152.8	90%	0.895	74%	0.744	S	S	*	*			trans	-122.8	61.6	160	-83.8	-79.1	0	0	0	110.1
765	R	28.3	Very low	40.3	Very low	243 Å²	243	158 Å²	158	92%	0.917	76%	0.757	S	S	*	*			trans	-101.1	72.8	170.7	-153.7	-178.6	-165.8	-175.3	4.5	108.5
766	K	31.2	Very low	40	Very low	203 Å²	203	156.8 Å²	156.8	88%	0.883	75%	0.754	S	S	*	*			trans	165.5	70.3	156.5	-94.2	172.8	-173.9	-174.8	0	111
767	V	28.8	Very low	40.2	Very low	124 Å²	124	154.9 Å²	154.9	75%	0.752	75%	0.748	S	S	*	*			trans	-143.7	103.8	150.3	-174.8	0	0	0	0	107.8	C769	V767-C769 PolarHBondContact O-N 3.31Å
768	K	31	Very low	40.4	Very low	205 Å²	205	150.9 Å²	150.9	89%	0.891	74%	0.74	S	S	*	*			trans	-68.3	115.4	159.4	-77.3	179.2	173.1	-178.9	0	106.8
769	C	29	Very low	41.1	Very low	122 Å²	122	147.5 Å²	147.5	82%	0.824	73%	0.734	S	S	*	*			trans	-177	133.4	146.4	-110	0	0	0	0	112.3	V767 L771	V767-C769 PolarHBondContact O-N 3.31Å; C769-L771 PolarHBondContact O-N 2.86Å; C769-L771 VanDerWaalsContact O-N 3.1Å
770	N	41.5	Very low	41.8	Very low	160 Å²	160	142.6 Å²	142.6	86%	0.856	72%	0.722	S	S	*	*			trans	-72.7	80.4	-175.4	-88.5	-25.2	0	0	0	114.2
771	L	35.3	Very low	43.2	Very low	130 Å²	130	139.4 Å²	139.4	68%	0.681	71%	0.71	S	S	*	*			trans	-134.1	16.6	168.8	-122.7	94.9	0	0	0	115	C769 I773 I774	C769-L771 PolarHBondContact O-N 2.86Å; C769-L771 VanDerWaalsContact O-N 3.1Å; L771-I773 VanDerWaalsContact C-N 3.31Å; L771-I774 HydrophobicContact CD2-CD1 4.32Å; L771-I774 HydrophobicContact CG-CD1 4.3Å
772	S	48	Very low	45	Very low	86 Å²	86	135.4 Å²	135.4	60%	0.601	70%	0.697	S	S	*	*	H	α-helix	trans	-74.8	-18.8	176.2	-170.2	0	0	0	0	113.7	I774 R775 T776	S772-I774 VanDerWaalsContact C-N 3.32Å; S772-I774 PolarHBondContact O-N 2.94Å; S772-R775 PolarHBondContact O-N 3.28Å; S772-T776 PolarHBondContact O-N 3.3Å; S772-T776 PolarHBondContact O-OG1 3.48Å
773	I	48	Very low	46.6	Very low	130 Å²	130	135.1 Å²	135.1	67%	0.667	69%	0.689	S	S	*	*	H	α-helix	trans	-65.8	-36.1	-178.2	-65.7	172.3	0	0	0	110.7	L771 T776 V777	L771-I773 VanDerWaalsContact C-N 3.31Å; I773-T776 PolarHBondContact O-N 3.42Å; I773-V777 WeakPolarHBondContact O-CG2 3.4Å; I773-V777 PolarHBondContact O-N 3.35Å
774	I	47.7	Very low	48.3	Very low	113 Å²	113	135.1 Å²	135.1	58%	0.579	68%	0.682	S	S	*	*	H	α-helix	trans	-70.3	-37	-179.9	-61.1	175.7	0	0	0	111.9	L771 S772 L778	L771-I774 HydrophobicContact CD2-CD1 4.32Å; L771-I774 HydrophobicContact CG-CD1 4.3Å; S772-I774 VanDerWaalsContact C-N 3.32Å; S772-I774 PolarHBondContact O-N 2.94Å; I774-L778 PolarHBondContact O-N 3.23Å
775	R	50.3	Low	50.2	Low	205 Å²	205	132.3 Å²	132.3	77%	0.774	67%	0.67	S	S	*	*	H	α-helix	trans	-70.2	-32.2	176.7	-83.9	-175.5	172.3	177.3	-1.9	113.2	S772 L778 C779	S772-R775 PolarHBondContact O-N 3.28Å; R775-L778 PolarHBondContact O-N 3.19Å; R775-C779 PolarHBondContact O-N 2.94Å; R775-C779 PolarHBondContact O-SG 2.89Å; R775-C779 VanDerWaalsContact O-SG 3.37Å
776	T	54.7	Low	52.2	Low	84 Å²	84	124.3 Å²	124.3	52%	0.515	65%	0.648	S	S	.	*	H	α-helix	trans	-71.9	-38.5	179.4	-45.6	0	0	0	0	110.6	S772 I773 C779 L780	S772-T776 PolarHBondContact O-N 3.3Å; S772-T776 PolarHBondContact O-OG1 3.48Å; I773-T776 PolarHBondContact O-N 3.42Å; T776-C779 PolarHBondContact O-N 3.44Å; T776-L780 PolarHBondContact O-N 3.19Å
777	V	62.1	Low	53.7	Low	86 Å²	86	119.7 Å²	119.7	52%	0.521	63%	0.632	S	S	.	*	H	α-helix	trans	-65.5	-36.9	173.9	174.8	0	0	0	0	111.6	I773 C779 L780 C781	I773-V777 WeakPolarHBondContact O-CG2 3.4Å; I773-V777 PolarHBondContact O-N 3.35Å; V777-C779 PolarHBondContact O-N 3.4Å; V777-L780 WeakPolarHBondContact O-CB 3.48Å; V777-L780 PolarHBondContact O-N 2.88Å; V777-L780 VanDerWaalsContact O-N 3.14Å; V777-C781 PolarHBondContact O-N 3.36Å
778	L	54.1	Low	55	Low	115 Å²	115	118 Å²	118	60%	0.602	62%	0.619	S	S	*	*	H	α-helix	trans	-69.5	-32.4	177.9	-141.7	87.2	0	0	0	113.1	I774 R775 L780 C781 I782	I774-L778 PolarHBondContact O-N 3.23Å; R775-L778 PolarHBondContact O-N 3.19Å; L778-L780 PolarHBondContact O-N 3.41Å; L778-C781 WeakPolarHBondContact O-CB 3.39Å; L778-C781 PolarHBondContact O-N 3.09Å; L778-C781 VanDerWaalsContact O-N 3.12Å; L778-I782 PolarHBondContact O-N 2.89Å
779	C	63.5	Low	55.5	Low	85 Å²	85	113.5 Å²	113.5	57%	0.574	60%	0.603	S	S	*	*	H	α-helix	trans	-64	-29.7	171.5	-69.6	0	0	0	0	112.1	R775 T776 V777 C781 I782 F783	R775-C779 PolarHBondContact O-N 2.94Å; R775-C779 PolarHBondContact O-SG 2.89Å; R775-C779 VanDerWaalsContact O-SG 3.37Å; T776-C779 PolarHBondContact O-N 3.44Å; V777-C779 PolarHBondContact O-N 3.4Å; C779-C781 VanDerWaalsContact C-N 3.33Å; C779-I782 PolarHBondContact O-N 3.43Å; C779-F783 PolarHBondContact O-N 2.73Å; C779-F783 VanDerWaalsContact O-N 3.13Å
780	L	59.1	Low	57	Low	108 Å²	108	112.7 Å²	112.7	57%	0.565	59%	0.589	S	S	*	*	H	α-helix	trans	-68.7	-30	173.1	-118.3	130.2	0	0	0	112.1	T776 V777 L778 F783 I784	T776-L780 PolarHBondContact O-N 3.19Å; V777-L780 WeakPolarHBondContact O-CB 3.48Å; V777-L780 PolarHBondContact O-N 2.88Å; V777-L780 VanDerWaalsContact O-N 3.14Å; L778-L780 PolarHBondContact O-N 3.41Å; L780-F783 WeakPolarHBondContact O-CB 2.99Å; L780-I784 WeakPolarHBondContact O-CG1 3.24Å; L780-I784 PolarHBondContact O-N 2.86Å
781	C	65.2	Low	57.6	Low	72 Å²	72	112.6 Å²	112.6	49%	0.486	58%	0.581	S	S	.	*	H	α-helix	trans	-69.6	-32.7	172.3	-62.6	0	0	0	0	112.5	V777 L778 C779 I784 F785	V777-C781 PolarHBondContact O-N 3.36Å; L778-C781 WeakPolarHBondContact O-CB 3.39Å; L778-C781 PolarHBondContact O-N 3.09Å; L778-C781 VanDerWaalsContact O-N 3.12Å; C779-C781 VanDerWaalsContact C-N 3.33Å; C781-I784 PolarHBondContact O-N 2.76Å; C781-F785 PolarHBondContact O-N 3.03Å
782	I	71.2	Confident	58.2	Low	111 Å²	111	113.9 Å²	113.9	57%	0.569	58%	0.582	S	S	*	*	H	α-helix	trans	-75.3	-33.2	178.7	-61.2	172	0	0	0	110.6	L778 C779 I784 F785 V786	L778-I782 PolarHBondContact O-N 2.89Å; C779-I782 PolarHBondContact O-N 3.43Å; I782-I784 PolarHBondContact O-N 3.21Å; I782-F785 PolarHBondContact O-N 2.96Å; I782-F785 VanDerWaalsContact O-N 3.15Å; I782-V786 WeakPolarHBondContact O-CG2 3.44Å; I782-V786 PolarHBondContact O-N 2.94Å
783	F	63	Low	58.2	Low	147 Å²	147	114.7 Å²	114.7	65%	0.645	58%	0.579	S	S	*	*	H	α-helix	trans	-57.1	-32.8	167.8	-169.7	-97.7	0	0	0	112.7	C779 L780	C779-F783 PolarHBondContact O-N 2.73Å; C779-F783 VanDerWaalsContact O-N 3.13Å; L780-F783 WeakPolarHBondContact O-CB 2.99Å
784	I	74	Confident	58.5	Low	104 Å²	104	114.5 Å²	114.5	53%	0.533	58%	0.576	S	S	.	*	H	α-helix	trans	-76	-34.1	176	-65.2	168.2	0	0	0	111.6	L780 C781 I782 V786 I787	L780-I784 WeakPolarHBondContact O-CG1 3.24Å; L780-I784 PolarHBondContact O-N 2.86Å; C781-I784 PolarHBondContact O-N 2.76Å; I782-I784 PolarHBondContact O-N 3.21Å; I784-V786 VanDerWaalsContact C-N 3.33Å; I784-V786 PolarHBondContact O-N 3.39Å; I784-I787 VanDerWaalsContact O-CB 3.3Å; I784-I787 WeakPolarHBondContact O-CB 3.39Å; I784-I787 PolarHBondContact O-N 2.81Å
785	F	68.5	Low	58.6	Low	145 Å²	145	114.2 Å²	114.2	64%	0.636	57%	0.574	S	S	*	*	H	α-helix	trans	-73.8	-26.1	-179.4	-156.2	-93.5	0	0	0	112.6	C781 I782 I787 L788	C781-F785 PolarHBondContact O-N 3.03Å; I782-F785 PolarHBondContact O-N 2.96Å; I782-F785 VanDerWaalsContact O-N 3.15Å; F785-I787 VanDerWaalsContact C-N 3.26Å; F785-I787 PolarHBondContact O-N 2.95Å; F785-L788 HydrophobicContact CD2-CD1 3.43Å; F785-L788 VanDerWaalsContact CD2-CD1 3.43Å; F785-L788 HydrophobicContact CE2-CD1 3.57Å; F785-L788 HydrophobicContact CG-CD1 3.98Å; F785-L788 HydrophobicContact CZ-CD1 4.24Å; F785-L788 VanDerWaalsContact O-CB 3.25Å; F785-L788 WeakPolarHBondContact O-CB 3.46Å; F785-L788 PolarHBondContact O-N 3.43Å; F785-L788 VanDerWaalsContact O-N 3.08Å
786	V	69.5	Low	58.6	Low	76 Å²	76	112.1 Å²	112.1	46%	0.461	57%	0.567	S	S	.	*	H	α-helix	trans	-70.5	-21.7	171.8	174.9	0	0	0	0	112.1	I782 I784 L788 I789	I782-V786 WeakPolarHBondContact O-CG2 3.44Å; I782-V786 PolarHBondContact O-N 2.94Å; I784-V786 VanDerWaalsContact C-N 3.33Å; I784-V786 PolarHBondContact O-N 3.39Å; V786-L788 PolarHBondContact O-N 3.27Å; V786-I789 WeakPolarHBondContact O-CB 3.09Å; V786-I789 PolarHBondContact O-N 3.21Å
787	I	62.4	Low	58.3	Low	105 Å²	105	112.3 Å²	112.3	54%	0.538	57%	0.57	S	S	.	*	H	α-helix	trans	-66.7	-28.7	168.9	-63.2	172.2	0	0	0	110.7	I784 F785 I789 I790 F791	I784-I787 VanDerWaalsContact O-CB 3.3Å; I784-I787 WeakPolarHBondContact O-CB 3.39Å; I784-I787 PolarHBondContact O-N 2.81Å; F785-I787 VanDerWaalsContact C-N 3.26Å; F785-I787 PolarHBondContact O-N 2.95Å; I787-I789 VanDerWaalsContact C-N 3.32Å; I787-I789 PolarHBondContact O-N 2.88Å; I787-I790 PolarHBondContact O-N 3.04Å; I787-F791 PolarHBondContact O-N 3.49Å
788	L	56.8	Low	57.6	Low	90 Å²	90	113.6 Å²	113.6	47%	0.471	58%	0.578	S	S	.	*	H	α-helix	trans	-70.5	-25.8	174.9	-65.4	162.1	0	0	0	113	F785 V786 I790 F792	F785-L788 HydrophobicContact CD2-CD1 3.43Å; F785-L788 VanDerWaalsContact CD2-CD1 3.43Å; F785-L788 HydrophobicContact CE2-CD1 3.57Å; F785-L788 HydrophobicContact CG-CD1 3.98Å; F785-L788 HydrophobicContact CZ-CD1 4.24Å; F785-L788 VanDerWaalsContact O-CB 3.25Å; F785-L788 WeakPolarHBondContact O-CB 3.46Å; F785-L788 PolarHBondContact O-N 3.43Å; F785-L788 VanDerWaalsContact O-N 3.08Å; V786-L788 PolarHBondContact O-N 3.27Å; L788-I790 VanDerWaalsContact C-N 3.25Å; L788-I790 PolarHBondContact O-N 3.21Å; L788-F792 PolarHBondContact O-N 3.43Å
789	I	42.2	Very low	57.2	Low	110 Å²	110	116.5 Å²	116.5	56%	0.564	59%	0.586	S	S	*	*	H	α-helix	trans	-62.6	-31.3	173.5	-71.8	176.1	0	0	0	111.7	V786 I787	V786-I789 WeakPolarHBondContact O-CB 3.09Å; V786-I789 PolarHBondContact O-N 3.21Å; I787-I789 VanDerWaalsContact C-N 3.32Å; I787-I789 PolarHBondContact O-N 2.88Å
790	I	60.8	Low	56.2	Low	105 Å²	105	120.9 Å²	120.9	54%	0.538	61%	0.609	S	S	.	*	H	α-helix	trans	-101.1	-22	-170.6	-61.8	172.5	0	0	0	111.7	I787 L788 F792 N793	I787-I790 PolarHBondContact O-N 3.04Å; L788-I790 VanDerWaalsContact C-N 3.25Å; L788-I790 PolarHBondContact O-N 3.21Å; I790-F792 PolarHBondContact O-N 3.5Å; I790-N793 HydrophobicContact CG2-CB 4.34Å; I790-N793 CarbonylContact O-C 3.59Å; I790-N793 VanDerWaalsContact O-CA 3.31Å; I790-N793 WeakPolarHBondContact O-CA 3.5Å; I790-N793 WeakPolarHBondContact O-CB 3.31Å; I790-N793 PolarHBondContact O-N 3.31Å
791	F	52.2	Low	56.1	Low	157 Å²	157	121.5 Å²	121.5	69%	0.689	61%	0.612	S	S	*	*	H	α-helix	trans	-57.9	-33	161.3	-149.7	-89	0	0	0	111.3	I787 N793 I795	I787-F791 PolarHBondContact O-N 3.49Å; F791-N793 VanDerWaalsContact C-N 3.31Å; F791-I795 HydrophobicContact CD1-CD1 4.5Å; F791-I795 HydrophobicContact CE1-CD1 4.42Å
792	F	48.2	Very low	55.6	Low	157 Å²	157	124.1 Å²	124.1	69%	0.689	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-6.9	169.4	-94.6	-82	0	0	0	114.4	L788 I790 H794	L788-F792 PolarHBondContact O-N 3.43Å; I790-F792 PolarHBondContact O-N 3.5Å; F792-H794 PolarHBondContact O-CD2 3.29Å; F792-H794 PolarHBondContact O-N 3.25Å; F792-H794 PolarHBondContact O-NE2 2.77Å
793	N	49.2	Very low	54.8	Low	103 Å²	103	124.8 Å²	124.8	55%	0.551	62%	0.621	S	S	*	*	S	Bend	trans	-71.8	69.4	149.6	-74.9	-44.2	0	0	0	106.9	I790 F791 I795	I790-N793 HydrophobicContact CG2-CB 4.34Å; I790-N793 CarbonylContact O-C 3.59Å; I790-N793 VanDerWaalsContact O-CA 3.31Å; I790-N793 WeakPolarHBondContact O-CA 3.5Å; I790-N793 WeakPolarHBondContact O-CB 3.31Å; I790-N793 PolarHBondContact O-N 3.31Å; F791-N793 VanDerWaalsContact C-N 3.31Å; N793-I795 PolarHBondContact O-N 3.29Å
794	H	54.1	Low	54.3	Low	127 Å²	127	123.5 Å²	123.5	59%	0.588	62%	0.619	S	S	*	*				54	77.1	98.3	-71.9	-58	0	0	0	106	F792 Y796	F792-H794 PolarHBondContact O-CD2 3.29Å; F792-H794 PolarHBondContact O-N 3.25Å; F792-H794 PolarHBondContact O-NE2 2.77Å; H794-Y796 PolarHBondContact O-N 3.31Å
795	I	50.2	Low	53	Low	107 Å²	107	124.8 Å²	124.8	55%	0.549	63%	0.625	S	S	.	*			cis	45.9	-2.8	40	-49.3	-176.7	0	0	0	112	F791 N793 P797 V798	F791-I795 HydrophobicContact CD1-CD1 4.5Å; F791-I795 HydrophobicContact CE1-CD1 4.42Å; N793-I795 PolarHBondContact O-N 3.29Å; I795-P797 VanDerWaalsContact N-CD 3.28Å; I795-V798 HydrophobicContact CG2-CG2 4.02Å; I795-V798 WeakPolarHBondContact O-CG2 3.29Å; I795-V798 PolarHBondContact O-N 3.42Å
796	Y	49.7	Very low	52	Low	161 Å²	161	123.4 Å²	123.4	63%	0.631	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-59.5	-14.8	155.3	-155.6	-94.8	0	0	0	113.7	H794 V798 F799	H794-Y796 PolarHBondContact O-N 3.31Å; Y796-V798 PolarHBondContact O-N 3.35Å; Y796-F799 HydrophobicContact CE1-CB 4.4Å; Y796-F799 HydrophobicContact CE2-CD2 4.24Å; Y796-F799 PolarHBondContact O-N 3.14Å
797	P	47.5	Very low	50.8	Low	87 Å²	87	126.8 Å²	126.8	57%	0.565	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-64.5	1.2	166.1	-21.1	34.2	0	0	0	114.5	I795 V800	I795-P797 VanDerWaalsContact N-CD 3.28Å; P797-V800 WeakPolarHBondContact O-CB 3.05Å; P797-V800 PolarHBondContact O-N 3.12Å
798	V	47.6	Very low	49.9	Very low	113 Å²	113	128.5 Å²	128.5	69%	0.685	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-82.6	2.5	167.7	-176	0	0	0	0	112.3	I795 Y796	I795-V798 HydrophobicContact CG2-CG2 4.02Å; I795-V798 WeakPolarHBondContact O-CG2 3.29Å; I795-V798 PolarHBondContact O-N 3.42Å; Y796-V798 PolarHBondContact O-N 3.35Å
799	F	47.1	Very low	49.3	Very low	177 Å²	177	131.7 Å²	131.7	78%	0.776	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-96.2	-0.5	161.9	-93.9	-76.7	0	0	0	113.9	Y796	Y796-F799 HydrophobicContact CE1-CB 4.4Å; Y796-F799 HydrophobicContact CE2-CD2 4.24Å; Y796-F799 PolarHBondContact O-N 3.14Å
800	V	42.5	Very low	49.9	Very low	176 Å²	176	133.6 Å²	133.6	100%	1.067	67%	0.666	S	S	*	*			trans	-72.3	0	153.7	-177.4	0	0	0	0	107.2	P797	P797-V800 WeakPolarHBondContact O-CB 3.05Å; P797-V800 PolarHBondContact O-N 3.12Å

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