Y1972_ARATH Loading...

Probable LRR receptor-like serine/threonine-protein kinase At1g29720

AlphaFold DB , UniProt , Accession Q9ASQ6, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene RFK1, Length 1,019 aa.

						>Y1972_ARATH|Q9ASQ6|RFK1
MSIILWSFFLFFTIILSSLTNITTLASFSSLHADELNALKEIATTLGIKRLNLRDEDPCSSKTLKIIQEVDFVPNLDINNTIGCDCSFNNNTICRITELALKTMSLRGKLPPELTKLPYLKSIELCRNYLSGTIPMEWAKMAYLTSISVCANNLSGNLPAGLQNFKNLTFLGVEGNQFSGPIPDELGNLTSLTGLELASNKFTGILPGTLARLVNLERVRICDNNFTGIIPAYIGNWTRLQKLHLYASGLTGPIPDAVVRLENLLELSLSDTTGIKSFPNLSSKGLKRLILRNVGLSGPIPSYIWNLTDLKILDLSFNKLNGIVQGVQNPPKNIYLTGNLLSGNIESGGLLNSQSYIDLSYNNFSWSSSCQKGSTINTYQSSYSKNNLTGLPPCAVPANCKKYQRFLHINCGGEEVSIRNSLGKITYQTDNSRQTNAASNQQFDYWGVSNTGDFTDDNSDHDEYYTSTNLTLSGDYPDLYKTARRSALSLVYYAFCLENGNYNVKLHFMEIQFSDKEVYSRLGRRIFDVYVQGKLFLRDFNINKEANGNMKPVIKEINATVTNHMLEIRLYWAGKGTTLIPKRGNYGPLISAISLCHSQEPLCGVEKTKHHIKYPLILGASGALVTIVLLAVGIYARGIYRRDNNRRERDLRAQGLQTVCFSWRQLQTATNNFDQANKLGEGGFGSVFKGELSDGTIIAVKQLSSKSSQGNREFVNEIGMISGLNHPNLVKLYGCCVERDQLLLVYEYMENNSLALALFGQNSLKLDWAARQKICVGIARGLEFLHDGSAMRMVHRDIKTTNVLLDTDLNAKISDFGLARLHEAEHTHISTKVAGTIGYMAPEYALWGQLTEKADVYSFGVVAMEIVSGKSNTKQQGNADSVSLINWALTLQQTGDILEIVDRMLEGEFNRSEAVRMIKVALVCTNSSPSLRPTMSEAVKMLEGEIEITQVMSDPGIYGHDWSISKLRDIDTHSSSSTSGVTDQTTTTMKSSVSGCDLYPLYPESMILNSTVENSSSSL
					

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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	58.7	Low	69.2	Low	206 Å²	206	139 Å²	139	100%	1.015	69%	0.686	S	S	*	*				0	-40	0	-123.7	172.8	154.9	0	0	113.5	I3 I4	M1-I3 PolarHBondContact O-N 3.04Å; M1-I4 PolarHBondContact O-N 3.26Å
2	S	69.3	Low	69.1	Low	98 Å²	98	138.2 Å²	138.2	69%	0.685	68%	0.676	S	S	*	*	H	α-helix	trans	-59.3	-37.4	-177.7	-173.4	0	0	0	0	115.9	I4 L5 W6	S2-I4 PolarHBondContact O-N 3.07Å; S2-L5 PolarHBondContact O-N 2.89Å; S2-W6 PolarHBondContact O-N 3.25Å
3	I	70.7	Confident	69	Low	153 Å²	153	133.5 Å²	133.5	79%	0.785	66%	0.661	S	S	*	*	H	α-helix	trans	-70.4	-30.3	-176.4	-61.7	170.1	0	0	0	112.8	M1 S7	M1-I3 PolarHBondContact O-N 3.04Å; I3-S7 PolarHBondContact O-N 3.27Å
4	I	73.3	Confident	68.8	Low	117 Å²	117	131 Å²	131	60%	0.6	65%	0.65	S	S	*	*	H	α-helix	trans	-73	-35.5	179.4	-61.3	173.3	0	0	0	110.6	M1 S2 W6 S7 F8	M1-I4 PolarHBondContact O-N 3.26Å; S2-I4 PolarHBondContact O-N 3.07Å; I4-W6 VanDerWaalsContact C-N 3.34Å; I4-W6 PolarHBondContact O-N 3.15Å; I4-S7 PolarHBondContact O-N 2.88Å; I4-F8 HydrophobicContact CG2-CD2 4.23Å; I4-F8 HydrophobicContact CG2-CE2 4.4Å; I4-F8 PolarHBondContact O-N 3.24Å
5	L	69	Low	68.4	Low	106 Å²	106	126.7 Å²	126.7	56%	0.555	63%	0.629	S	S	*	*	H	α-helix	trans	-66.5	-33.9	177.3	-91.8	125.1	0	0	0	112.9	S2 F9	S2-L5 PolarHBondContact O-N 2.89Å; L5-F9 PolarHBondContact O-N 3.23Å; L5-F9 VanDerWaalsContact O-N 3.15Å
6	W	66.5	Low	67.7	Low	214 Å²	214	124.2 Å²	124.2	81%	0.811	62%	0.618	S	S	*	*	H	α-helix	trans	-72.6	-36.4	178.8	-112.6	39.5	0	0	0	113.3	S2 I4 F9 L10	S2-W6 PolarHBondContact O-N 3.25Å; I4-W6 VanDerWaalsContact C-N 3.34Å; I4-W6 PolarHBondContact O-N 3.15Å; W6-F9 PolarHBondContact O-N 3.19Å; W6-L10 PolarHBondContact O-N 2.8Å; W6-L10 VanDerWaalsContact O-N 3.12Å
7	S	71	Confident	66.8	Low	83 Å²	83	120.8 Å²	120.8	58%	0.58	61%	0.609	S	S	*	*	H	α-helix	trans	-64.6	-41.4	174.5	-173.4	0	0	0	0	111.8	I3 I4 F9 L10 F11	I3-S7 PolarHBondContact O-N 3.27Å; I4-S7 PolarHBondContact O-N 2.88Å; S7-F9 PolarHBondContact O-N 3.02Å; S7-L10 PolarHBondContact O-N 2.97Å; S7-F11 PolarHBondContact O-N 3.3Å
8	F	70.5	Confident	65.9	Low	147 Å²	147	118.1 Å²	118.1	65%	0.645	60%	0.603	S	S	*	*	H	α-helix	trans	-63.4	-40.4	175.4	-96.6	-84.7	0	0	0	112.6	I4 F11 F12	I4-F8 HydrophobicContact CG2-CD2 4.23Å; I4-F8 HydrophobicContact CG2-CE2 4.4Å; I4-F8 PolarHBondContact O-N 3.24Å; F8-F11 PolarHBondContact O-N 3.16Å; F8-F12 WeakPolarHBondContact O-CB 3.32Å; F8-F12 PolarHBondContact O-N 3.11Å
9	F	69.5	Low	65.1	Low	146 Å²	146	116.8 Å²	116.8	64%	0.64	60%	0.597	S	S	*	*	H	α-helix	trans	-66.4	-38.8	178.5	-111.4	-85.5	0	0	0	113	L5 W6 S7 F12 T13	L5-F9 PolarHBondContact O-N 3.23Å; L5-F9 VanDerWaalsContact O-N 3.15Å; W6-F9 PolarHBondContact O-N 3.19Å; S7-F9 PolarHBondContact O-N 3.02Å; F9-F12 PolarHBondContact O-N 3.31Å; F9-T13 PolarHBondContact O-N 2.97Å; F9-T13 PolarHBondContact O-OG1 3.08Å
10	L	72.5	Confident	64.1	Low	117 Å²	117	115.3 Å²	115.3	61%	0.613	59%	0.594	S	S	*	*	H	α-helix	trans	-70	-38.5	177.9	-149.8	98.5	0	0	0	111.9	W6 S7 F12 T13 I14	W6-L10 PolarHBondContact O-N 2.8Å; W6-L10 VanDerWaalsContact O-N 3.12Å; S7-L10 PolarHBondContact O-N 2.97Å; L10-F12 VanDerWaalsContact C-N 3.35Å; L10-T13 WeakPolarHBondContact CA-OG1 3.41Å; L10-T13 PolarHBondContact O-N 3.21Å; L10-T13 PolarHBondContact O-OG1 2.76Å; L10-T13 VanDerWaalsContact O-OG1 3.09Å; L10-I14 HydrophobicContact CD2-CD1 4.37Å; L10-I14 VanDerWaalsContact O-CG1 3.32Å; L10-I14 WeakPolarHBondContact O-CG1 3.26Å; L10-I14 PolarHBondContact O-N 3.23Å; L10-I14 VanDerWaalsContact O-N 3.11Å
11	F	70.8	Confident	63	Low	142 Å²	142	116.1 Å²	116.1	62%	0.623	60%	0.6	S	S	*	*	H	α-helix	trans	-67.2	-38.8	176.3	-150.4	-100.1	0	0	0	111.3	S7 F8 I14 I15	S7-F11 PolarHBondContact O-N 3.3Å; F8-F11 PolarHBondContact O-N 3.16Å; F11-I14 PolarHBondContact O-N 3.21Å; F11-I15 HydrophobicContact CD1-CD1 3.51Å; F11-I15 HydrophobicContact CD1-CG1 4.34Å; F11-I15 HydrophobicContact CE1-CD1 3.53Å; F11-I15 HydrophobicContact CE1-CG1 4.42Å; F11-I15 WeakPolarHBondContact O-CB 3.45Å; F11-I15 WeakPolarHBondContact O-CG1 3.41Å; F11-I15 PolarHBondContact O-N 2.98Å
12	F	67.7	Low	62.4	Low	129 Å²	129	112 Å²	112	57%	0.566	58%	0.581	S	S	*	*	H	α-helix	trans	-69.8	-35.8	177.3	-134.3	-88.5	0	0	0	112.5	F8 F9 L10 I15 L16	F8-F12 WeakPolarHBondContact O-CB 3.32Å; F8-F12 PolarHBondContact O-N 3.11Å; F9-F12 PolarHBondContact O-N 3.31Å; L10-F12 VanDerWaalsContact C-N 3.35Å; F12-I15 PolarHBondContact O-N 2.91Å; F12-L16 HydrophobicContact CE1-CD1 4.28Å; F12-L16 VanDerWaalsContact O-CB 3.22Å; F12-L16 WeakPolarHBondContact O-CB 3.23Å; F12-L16 PolarHBondContact O-N 2.92Å
13	T	67.5	Low	61	Low	77 Å²	77	112.1 Å²	112.1	47%	0.472	58%	0.577	S	S	.	*	H	α-helix	trans	-72.6	-30.7	175.4	43.9	0	0	0	0	113.1	F9 L10 S17	F9-T13 PolarHBondContact O-N 2.97Å; F9-T13 PolarHBondContact O-OG1 3.08Å; L10-T13 WeakPolarHBondContact CA-OG1 3.41Å; L10-T13 PolarHBondContact O-N 3.21Å; L10-T13 PolarHBondContact O-OG1 2.76Å; L10-T13 VanDerWaalsContact O-OG1 3.09Å; T13-S17 WeakPolarHBondContact O-CB 3.27Å; T13-S17 PolarHBondContact O-N 3.14Å; T13-S17 PolarHBondContact O-OG 2.93Å
14	I	66.3	Low	59.7	Low	99 Å²	99	111.1 Å²	111.1	51%	0.508	58%	0.578	S	S	.	*	H	α-helix	trans	-68.7	-42.5	171	-65.9	167.4	0	0	0	110.5	L10 F11 S17 S18	L10-I14 HydrophobicContact CD2-CD1 4.37Å; L10-I14 VanDerWaalsContact O-CG1 3.32Å; L10-I14 WeakPolarHBondContact O-CG1 3.26Å; L10-I14 PolarHBondContact O-N 3.23Å; L10-I14 VanDerWaalsContact O-N 3.11Å; F11-I14 PolarHBondContact O-N 3.21Å; I14-S17 WeakPolarHBondContact CA-OG 3.41Å; I14-S17 PolarHBondContact O-OG 2.67Å; I14-S18 WeakPolarHBondContact O-CB 3.35Å; I14-S18 PolarHBondContact O-N 2.84Å; I14-S18 PolarHBondContact O-OG 2.97Å
15	I	62.3	Low	58.3	Low	66 Å²	66	112.8 Å²	112.8	34%	0.338	59%	0.587	S	S	.	*	H	α-helix	trans	-66.8	-41.2	175.4	-70.2	174.2	0	0	0	111.3	F11 F12 S18 L19	F11-I15 HydrophobicContact CD1-CD1 3.51Å; F11-I15 HydrophobicContact CD1-CG1 4.34Å; F11-I15 HydrophobicContact CE1-CD1 3.53Å; F11-I15 HydrophobicContact CE1-CG1 4.42Å; F11-I15 WeakPolarHBondContact O-CB 3.45Å; F11-I15 WeakPolarHBondContact O-CG1 3.41Å; F11-I15 PolarHBondContact O-N 2.98Å; F12-I15 PolarHBondContact O-N 2.91Å; I15-S18 VanDerWaalsContact CA-OG 3.27Å; I15-S18 WeakPolarHBondContact CA-OG 3.24Å; I15-S18 PolarHBondContact O-N 2.89Å; I15-S18 PolarHBondContact O-OG 2.88Å; I15-L19 HydrophobicContact CG2-CD1 3.39Å; I15-L19 HydrophobicContact CG2-CG 4.29Å; I15-L19 VanDerWaalsContact O-CB 3.29Å; I15-L19 WeakPolarHBondContact O-CB 3.42Å; I15-L19 WeakPolarHBondContact O-CD1 3.35Å; I15-L19 VanDerWaalsContact O-CG 3.23Å; I15-L19 WeakPolarHBondContact O-CG 3.41Å; I15-L19 PolarHBondContact O-N 3.25Å
16	L	57.3	Low	57.2	Low	87 Å²	87	111 Å²	111	46%	0.455	59%	0.588	S	S	.	*	H	α-helix	trans	-72.9	-36.2	179.7	-142.2	72.9	0	0	0	111.7	F12 S18 L19 T20	F12-L16 HydrophobicContact CE1-CD1 4.28Å; F12-L16 VanDerWaalsContact O-CB 3.22Å; F12-L16 WeakPolarHBondContact O-CB 3.23Å; F12-L16 PolarHBondContact O-N 2.92Å; L16-S18 VanDerWaalsContact C-N 3.3Å; L16-S18 PolarHBondContact O-N 3.41Å; L16-L19 PolarHBondContact O-N 2.95Å; L16-T20 HydrophobicContact CG-CG2 4.35Å; L16-T20 WeakPolarHBondContact O-CB 3.45Å; L16-T20 WeakPolarHBondContact O-CG2 3.36Å; L16-T20 PolarHBondContact O-N 3.17Å; L16-T20 PolarHBondContact O-OG1 3.03Å
17	S	53.3	Low	56.5	Low	67 Å²	67	104.8 Å²	104.8	47%	0.469	58%	0.578	S	S	.	*	H	α-helix	trans	-72	-22.1	172.9	59.4	0	0	0	0	113.5	T13 I14 N21	T13-S17 WeakPolarHBondContact O-CB 3.27Å; T13-S17 PolarHBondContact O-N 3.14Å; T13-S17 PolarHBondContact O-OG 2.93Å; I14-S17 WeakPolarHBondContact CA-OG 3.41Å; I14-S17 PolarHBondContact O-OG 2.67Å; S17-N21 PolarHBondContact O-ND2 3.21Å
18	S	50.1	Low	56.1	Low	71 Å²	71	109 Å²	109	50%	0.497	59%	0.585	S	S	.	*	H	α-helix	trans	-83	-25.1	168	49.5	0	0	0	0	113.2	I14 I15 L16	I14-S18 WeakPolarHBondContact O-CB 3.35Å; I14-S18 PolarHBondContact O-N 2.84Å; I14-S18 PolarHBondContact O-OG 2.97Å; I15-S18 VanDerWaalsContact CA-OG 3.27Å; I15-S18 WeakPolarHBondContact CA-OG 3.24Å; I15-S18 PolarHBondContact O-N 2.89Å; I15-S18 PolarHBondContact O-OG 2.88Å; L16-S18 VanDerWaalsContact C-N 3.3Å; L16-S18 PolarHBondContact O-N 3.41Å
19	L	50.3	Low	56.5	Low	94 Å²	94	103.5 Å²	103.5	49%	0.492	57%	0.566	S	S	.	*	H	α-helix	trans	-87.9	-30.6	176.4	-75.2	161.9	0	0	0	113.4	I15 L16 N21 I22	I15-L19 HydrophobicContact CG2-CD1 3.39Å; I15-L19 HydrophobicContact CG2-CG 4.29Å; I15-L19 VanDerWaalsContact O-CB 3.29Å; I15-L19 WeakPolarHBondContact O-CB 3.42Å; I15-L19 WeakPolarHBondContact O-CD1 3.35Å; I15-L19 VanDerWaalsContact O-CG 3.23Å; I15-L19 WeakPolarHBondContact O-CG 3.41Å; I15-L19 PolarHBondContact O-N 3.25Å; L16-L19 PolarHBondContact O-N 2.95Å; L19-N21 VanDerWaalsContact C-N 3.28Å; L19-N21 PolarHBondContact O-N 3.21Å; L19-I22 HydrophobicContact CD2-CD1 4.1Å; L19-I22 WeakPolarHBondContact O-CB 3.4Å; L19-I22 PolarHBondContact O-N 3.41Å; L19-I22 VanDerWaalsContact O-N 3.15Å
20	T	45.5	Very low	57.3	Low	86 Å²	86	99.7 Å²	99.7	53%	0.528	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.4	-1.5	178	58.6	0	0	0	0	113.6	L16 I22	L16-T20 HydrophobicContact CG-CG2 4.35Å; L16-T20 WeakPolarHBondContact O-CB 3.45Å; L16-T20 WeakPolarHBondContact O-CG2 3.36Å; L16-T20 PolarHBondContact O-N 3.17Å; L16-T20 PolarHBondContact O-OG1 3.03Å; T20-I22 VanDerWaalsContact C-N 3.31Å
21	N	41.6	Very low	58.1	Low	134 Å²	134	94.6 Å²	94.6	72%	0.717	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	5.8	162.2	-81.1	-36.2	0	0	0	112.8	S17 L19 T23	S17-N21 PolarHBondContact O-ND2 3.21Å; L19-N21 VanDerWaalsContact C-N 3.28Å; L19-N21 PolarHBondContact O-N 3.21Å; N21-T23 PolarHBondContact O-N 3.39Å
22	I	44.7	Very low	59.1	Low	120 Å²	120	90.1 Å²	90.1	62%	0.615	51%	0.511	S	S	*	.			trans	-92.2	41.3	166.6	-42.5	176.8	0	0	0	109.1	L19 T20 T24	L19-I22 HydrophobicContact CD2-CD1 4.1Å; L19-I22 WeakPolarHBondContact O-CB 3.4Å; L19-I22 PolarHBondContact O-N 3.41Å; L19-I22 VanDerWaalsContact O-N 3.15Å; T20-I22 VanDerWaalsContact C-N 3.31Å; I22-T24 PolarHBondContact O-N 2.75Å
23	T	41.6	Very low	60.1	Low	100 Å²	100	87 Å²	87	61%	0.613	51%	0.509	S	S	*	.	S	Bend	trans	-86.2	103.4	162.1	45.4	0	0	0	0	107.6	N21	N21-T23 PolarHBondContact O-N 3.39Å
24	T	42.8	Very low	61.3	Low	131 Å²	131	88.5 Å²	88.5	80%	0.804	51%	0.514	S	S	*	.			trans	49	71	159.6	59.1	0	0	0	0	114.4	I22 A26	I22-T24 PolarHBondContact O-N 2.75Å; T24-A26 PolarHBondContact O-N 3.46Å
25	L	43	Very low	62.6	Low	152 Å²	152	83.8 Å²	83.8	80%	0.796	49%	0.49	S	S	*	.			trans	-57.6	95.9	143.9	-85.4	148.7	0	0	0	105.3	S27	L25-S27 PolarHBondContact O-N 3.08Å
26	A	46	Very low	64	Low	69 Å²	69	82.9 Å²	82.9	57%	0.57	49%	0.486	S	S	*	.			trans	-46.7	116.7	160.4	0	0	0	0	0	105.2	T24 F28	T24-A26 PolarHBondContact O-N 3.46Å; A26-F28 VanDerWaalsContact C-N 3.31Å; A26-F28 VanDerWaalsContact O-CD2 3.29Å; A26-F28 WeakPolarHBondContact O-CD2 3.48Å; A26-F28 PolarHBondContact O-N 3.03Å
27	S	51.7	Low	65.6	Low	84 Å²	84	82.3 Å²	82.3	59%	0.587	48%	0.483	S	S	*	.			trans	-58.6	97.8	-178.6	49.1	0	0	0	0	107.6	L25 S29	L25-S27 PolarHBondContact O-N 3.08Å; S27-S29 PolarHBondContact O-N 3.45Å
28	F	63.9	Low	67.6	Low	170 Å²	170	79.2 Å²	79.2	75%	0.746	46%	0.461	S	S	*	.			trans	-62.6	121	173.8	-71.5	-82.3	0	0	0	106.9	A26 S30	A26-F28 VanDerWaalsContact C-N 3.31Å; A26-F28 VanDerWaalsContact O-CD2 3.29Å; A26-F28 WeakPolarHBondContact O-CD2 3.48Å; A26-F28 PolarHBondContact O-N 3.03Å; F28-S30 PolarHBondContact O-N 3.24Å
29	S	77.9	Confident	69.8	Low	33 Å²	33	75.9 Å²	75.9	23%	0.231	44%	0.438	C	S	.	.			trans	-59.1	127.9	172.1	56.3	0	0	0	0	109.2	S27 N91 T92 C94	S27-S29 PolarHBondContact O-N 3.45Å; S29-N91 VanDerWaalsContact CB-O 3.28Å; S29-N91 WeakPolarHBondContact CB-O 3.21Å; S29-T92 WeakPolarHBondContact CA-O 3.35Å; S29-C94 VanDerWaalsContact CB-SG 3.56Å; S29-C94 PolarHBondContact OG-SG 3.4Å
30	S	86.1	Confident	71.8	Confident	65 Å²	65	76 Å²	76	46%	0.455	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	153.4	-178.3	62.2	0	0	0	0	112.1	F28 H32 T92 C94	F28-S30 PolarHBondContact O-N 3.24Å; S30-H32 PolarHBondContact O-N 2.92Å; S30-T92 PolarHBondContact N-O 3.41Å; S30-T92 VanDerWaalsContact N-O 3.15Å; S30-C94 PolarHBondContact O-N 3.33Å
31	L	90.6	Very high	74.1	Confident	11 Å²	11	75.7 Å²	75.7	6%	0.058	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	134.1	176	177.1	60.5	0	0	0	110.7	A33 E35 L36 L39 D57 P58 I96	L31-A33 PolarHBondContact O-N 3.39Å; L31-E35 HydrophobicContact CD1-CB 3.85Å; L31-E35 HydrophobicContact CG-CB 4.34Å; L31-L36 HydrophobicContact CD2-CB 4.23Å; L31-L36 HydrophobicContact CD2-CD1 3.98Å; L31-L39 HydrophobicContact CD2-CD1 3.83Å; L31-D57 WeakPolarHBondContact CB-OD1 3.49Å; L31-D57 PolarHBondContact N-OD1 3.21Å; L31-P58 HydrophobicContact CD2-CG 4.24Å; L31-I96 HydrophobicContact CD1-CD1 3.95Å; L31-I96 HydrophobicContact CD1-CG1 3.58Å; L31-I96 HydrophobicContact CD2-CD1 4.1Å
32	H	91.5	Very high	76.7	Confident	48 Å²	48	69.4 Å²	69.4	22%	0.222	39%	0.394	C	S	.	.			trans	-54.9	132.3	176.7	-167	-89.3	0	0	0	112	S30 D34 E35 L36 I93 C94 R95	S30-H32 PolarHBondContact O-N 2.92Å; H32-D34 VanDerWaalsContact C-N 3.29Å; H32-D34 IonicContact CE1-OD2 3.27Å; H32-D34 PolarHBondContact CE1-OD2 2.81Å; H32-D34 VanDerWaalsContact CE1-OD2 3.27Å; H32-D34 PolarHBondContact ND1-N 2.96Å; H32-D34 IonicContact ND1-OD2 2.7Å; H32-D34 PolarHBondContact O-N 2.77Å; H32-E35 HydrophobicContact CB-CG 4.39Å; H32-E35 PolarHBondContact O-N 3.13Å; H32-L36 PolarHBondContact O-N 2.85Å; H32-I93 HydrophobicContact CB-CG2 4.03Å; H32-C94 PolarHBondContact N-O 2.98Å; H32-R95 VanDerWaalsContact CD2-CZ 3.43Å; H32-R95 PolarHBondContact CD2-NH2 2.85Å; H32-R95 VanDerWaalsContact CG-NH1 3.27Å; H32-R95 PolarHBondContact ND1-NH1 2.85Å; H32-R95 PolarHBondContact NE2-NH2 3.22Å
33	A	88.6	Confident	79.1	Confident	63 Å²	63	63.9 Å²	63.9	52%	0.521	37%	0.366	S	S	.	.	H	α-helix	trans	-56.9	-37.8	-171.9	0	0	0	0	0	114.1	L31 E35 L36 N37	L31-A33 PolarHBondContact O-N 3.39Å; A33-E35 VanDerWaalsContact C-N 3.35Å; A33-E35 PolarHBondContact O-N 3.26Å; A33-L36 WeakPolarHBondContact O-CB 3.41Å; A33-L36 PolarHBondContact O-N 3.18Å; A33-N37 PolarHBondContact O-N 3.28Å
34	D	92	Very high	81.6	Confident	109 Å²	109	64.1 Å²	64.1	58%	0.583	37%	0.367	S	S	*	.	H	α-helix	trans	-65.8	-36.8	176.9	-63.3	-24	0	0	0	112.6	H32 N37 A38	H32-D34 VanDerWaalsContact C-N 3.29Å; H32-D34 IonicContact CE1-OD2 3.27Å; H32-D34 PolarHBondContact CE1-OD2 2.81Å; H32-D34 VanDerWaalsContact CE1-OD2 3.27Å; H32-D34 PolarHBondContact ND1-N 2.96Å; H32-D34 IonicContact ND1-OD2 2.7Å; H32-D34 PolarHBondContact O-N 2.77Å; D34-N37 PolarHBondContact O-N 2.89Å; D34-A38 WeakPolarHBondContact O-CB 3.5Å; D34-A38 PolarHBondContact O-N 3.45Å
35	E	94.3	Very high	84.2	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-72.1	-35	177.2	-67.4	-177.6	-161.4	0	0	110.7	L31 H32 A33 N37 A38 L39 R95 I96 L117	L31-E35 HydrophobicContact CD1-CB 3.85Å; L31-E35 HydrophobicContact CG-CB 4.34Å; H32-E35 HydrophobicContact CB-CG 4.39Å; H32-E35 PolarHBondContact O-N 3.13Å; A33-E35 VanDerWaalsContact C-N 3.35Å; A33-E35 PolarHBondContact O-N 3.26Å; E35-N37 VanDerWaalsContact C-N 3.3Å; E35-N37 PolarHBondContact O-N 2.87Å; E35-A38 WeakPolarHBondContact O-CB 3.37Å; E35-A38 PolarHBondContact O-N 2.98Å; E35-L39 WeakPolarHBondContact O-CG 3.36Å; E35-L39 PolarHBondContact O-N 2.91Å; E35-R95 WeakPolarHBondContact OE1-CD 3.5Å; E35-R95 IonicContact OE1-CZ 2.71Å; E35-R95 IonicContact OE1-NE 2.79Å; E35-R95 IonicContact OE1-NH1 2.87Å; E35-R95 PolarHBondContact OE1-NH1 2.82Å; E35-R95 WeakPolarHBondContact OE2-CA 3.47Å; E35-I96 PolarHBondContact OE2-N 2.81Å; E35-L117 HydrophobicContact CB-CD2 3.68Å; E35-L117 HydrophobicContact CG-CD2 3.74Å
36	L	91.2	Very high	86.7	Confident	46 Å²	46	52.7 Å²	52.7	24%	0.241	30%	0.304	C	S	.	.	H	α-helix	trans	-60.7	-39.4	171.3	-171	72.8	0	0	0	111.9	L31 H32 A33 L53 P58	L31-L36 HydrophobicContact CD2-CB 4.23Å; L31-L36 HydrophobicContact CD2-CD1 3.98Å; H32-L36 PolarHBondContact O-N 2.85Å; A33-L36 WeakPolarHBondContact O-CB 3.41Å; A33-L36 PolarHBondContact O-N 3.18Å; L36-L53 HydrophobicContact CD1-CB 4.15Å; L36-L53 HydrophobicContact CD1-CD1 3.92Å; L36-L53 HydrophobicContact CD1-CD2 4.19Å; L36-L53 HydrophobicContact CD1-CG 4.31Å; L36-L53 HydrophobicContact CG-CD1 4.29Å; L36-P58 HydrophobicContact CD1-CG 4.42Å
37	N	92.1	Very high	89	Confident	76 Å²	76	51.3 Å²	51.3	41%	0.406	30%	0.296	S	S	.	.	H	α-helix	trans	-72.3	-40.3	174.4	-74.1	-32.4	0	0	0	112	A33 D34 E35 L39 K40 E41	A33-N37 PolarHBondContact O-N 3.28Å; D34-N37 PolarHBondContact O-N 2.89Å; E35-N37 VanDerWaalsContact C-N 3.3Å; E35-N37 PolarHBondContact O-N 2.87Å; N37-L39 VanDerWaalsContact C-N 3.27Å; N37-L39 PolarHBondContact O-N 2.63Å; N37-K40 WeakPolarHBondContact O-CB 3.47Å; N37-K40 PolarHBondContact O-N 3.48Å; N37-K40 PolarHBondContact OD1-NZ 2.93Å; N37-E41 PolarHBondContact O-N 3.22Å
38	A	95.3	Very high	90.9	Very high	1 Å²	1	48 Å²	48	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-56.7	-41.4	173.9	0	0	0	0	0	111.8	D34 E35 K40 E41 I42 K116 L117	D34-A38 WeakPolarHBondContact O-CB 3.5Å; D34-A38 PolarHBondContact O-N 3.45Å; E35-A38 WeakPolarHBondContact O-CB 3.37Å; E35-A38 PolarHBondContact O-N 2.98Å; A38-K40 PolarHBondContact O-N 3.28Å; A38-E41 PolarHBondContact O-N 2.88Å; A38-E41 VanDerWaalsContact O-N 3.12Å; A38-I42 HydrophobicContact CB-CD1 4.23Å; A38-I42 WeakPolarHBondContact O-CB 3.23Å; A38-I42 WeakPolarHBondContact O-CD1 3.27Å; A38-I42 VanDerWaalsContact O-CG1 3.24Å; A38-I42 WeakPolarHBondContact O-CG1 3.46Å; A38-I42 PolarHBondContact O-N 3.25Å; A38-K116 HydrophobicContact CB-CB 3.57Å; A38-K116 HydrophobicContact CB-CD 4.25Å; A38-L117 HydrophobicContact CB-CD2 3.9Å
39	L	94.6	Very high	91.7	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-56.8	-34.3	176.3	-77.1	179.2	0	0	0	113	L31 E35 N37 A43 L53 P58 L64 I82 I96	L31-L39 HydrophobicContact CD2-CD1 3.83Å; E35-L39 WeakPolarHBondContact O-CG 3.36Å; E35-L39 PolarHBondContact O-N 2.91Å; N37-L39 VanDerWaalsContact C-N 3.27Å; N37-L39 PolarHBondContact O-N 2.63Å; L39-A43 WeakPolarHBondContact O-CB 3.48Å; L39-A43 PolarHBondContact O-N 3.5Å; L39-L53 HydrophobicContact CB-CD1 4.43Å; L39-P58 HydrophobicContact CD1-CG 4.28Å; L39-L64 HydrophobicContact CD1-CD1 4.19Å; L39-I82 HydrophobicContact CD1-CD1 4.25Å; L39-I82 HydrophobicContact CD2-CD1 4.43Å; L39-I96 HydrophobicContact CD1-CD1 3.79Å; L39-I96 HydrophobicContact CD2-CD1 3.89Å; L39-I96 HydrophobicContact CG-CD1 3.89Å
40	K	92.4	Very high	91.9	Very high	97 Å²	97	52.9 Å²	52.9	42%	0.422	29%	0.285	S	S	.	.	H	α-helix	trans	-68.6	-42.7	177.1	-60.7	170.1	-172	160.6	0	111.6	N37 A38 T44 L53	N37-K40 WeakPolarHBondContact O-CB 3.47Å; N37-K40 PolarHBondContact O-N 3.48Å; N37-K40 PolarHBondContact OD1-NZ 2.93Å; A38-K40 PolarHBondContact O-N 3.28Å; K40-T44 PolarHBondContact O-N 3.41Å; K40-T44 PolarHBondContact O-OG1 2.8Å; K40-L53 HydrophobicContact CD-CD1 4.42Å; K40-L53 HydrophobicContact CG-CD1 3.65Å
41	E	94.7	Very high	91.8	Very high	78 Å²	78	51.9 Å²	51.9	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-67	-48	177	-63.1	-177.6	-137.7	0	0	111.1	N37 A38 A43 T44 T45 E113 K116	N37-E41 PolarHBondContact O-N 3.22Å; A38-E41 PolarHBondContact O-N 2.88Å; A38-E41 VanDerWaalsContact O-N 3.12Å; E41-A43 VanDerWaalsContact C-N 3.31Å; E41-A43 PolarHBondContact O-N 3.45Å; E41-T44 WeakPolarHBondContact O-CA 3.42Å; E41-T44 WeakPolarHBondContact O-CB 3.49Å; E41-T44 PolarHBondContact O-N 2.91Å; E41-T44 VanDerWaalsContact O-N 3.07Å; E41-T45 PolarHBondContact O-N 3.18Å; E41-T45 PolarHBondContact O-OG1 3.48Å; E41-E113 HydrophobicContact CB-CB 4.42Å; E41-E113 HydrophobicContact CB-CG 4.22Å; E41-K116 IonicContact OE1-NZ 2.72Å; E41-K116 PolarHBondContact OE1-NZ 2.91Å; E41-K116 IonicContact OE2-NZ 3.5Å; E41-K116 PolarHBondContact OE2-NZ 2.92Å
42	I	96.7	Very high	91.5	Very high	3 Å²	3	53 Å²	53	2%	0.015	28%	0.28	C	S	.	.	H	α-helix	trans	-54.4	-48.3	175.5	-71.4	159.5	0	0	0	110.4	A38 T44 T45 L46 L99 P111 E113 L114 L117	A38-I42 HydrophobicContact CB-CD1 4.23Å; A38-I42 WeakPolarHBondContact O-CB 3.23Å; A38-I42 WeakPolarHBondContact O-CD1 3.27Å; A38-I42 VanDerWaalsContact O-CG1 3.24Å; A38-I42 WeakPolarHBondContact O-CG1 3.46Å; A38-I42 PolarHBondContact O-N 3.25Å; I42-T44 VanDerWaalsContact C-N 3.31Å; I42-T44 PolarHBondContact O-N 2.87Å; I42-T45 PolarHBondContact O-N 3.34Å; I42-L46 HydrophobicContact CG2-CD1 3.74Å; I42-L46 HydrophobicContact CG2-CG 4.45Å; I42-L46 WeakPolarHBondContact O-CB 3.48Å; I42-L46 VanDerWaalsContact O-CG 3.28Å; I42-L46 WeakPolarHBondContact O-CG 3.32Å; I42-L46 PolarHBondContact O-N 3.48Å; I42-L99 HydrophobicContact CG2-CD2 4.3Å; I42-P111 HydrophobicContact CG1-CB 4.47Å; I42-P111 HydrophobicContact CG2-CB 4.41Å; I42-P111 HydrophobicContact CG2-CG 3.94Å; I42-E113 HydrophobicContact CG1-CB 4.02Å; I42-L114 HydrophobicContact CD1-CD2 3.68Å; I42-L114 HydrophobicContact CD1-CG 4.37Å; I42-L114 HydrophobicContact CG1-CD2 4.09Å; I42-L114 HydrophobicContact CG1-CG 4.38Å; I42-L114 HydrophobicContact CG2-CD2 4.09Å; I42-L117 HydrophobicContact CD1-CD1 3.7Å; I42-L117 HydrophobicContact CD1-CD2 4.45Å; I42-L117 HydrophobicContact CD1-CG 3.9Å
43	A	94.2	Very high	91	Very high	4 Å²	4	52 Å²	52	3%	0.033	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-41.6	178	0	0	0	0	0	112.1	L39 E41 L46 G47 I48 L51	L39-A43 WeakPolarHBondContact O-CB 3.48Å; L39-A43 PolarHBondContact O-N 3.5Å; E41-A43 VanDerWaalsContact C-N 3.31Å; E41-A43 PolarHBondContact O-N 3.45Å; A43-L46 PolarHBondContact O-N 3.09Å; A43-G47 PolarHBondContact O-N 3.09Å; A43-G47 VanDerWaalsContact O-N 3.16Å; A43-I48 HydrophobicContact CB-CB 3.96Å; A43-I48 HydrophobicContact CB-CD1 4.04Å; A43-I48 HydrophobicContact CB-CG1 4.49Å; A43-I48 HydrophobicContact CB-CG2 4.33Å; A43-I48 WeakPolarHBondContact O-CB 3.27Å; A43-I48 PolarHBondContact O-N 3.14Å; A43-L51 HydrophobicContact CB-CB 4.44Å; A43-L51 HydrophobicContact CB-CD2 3.8Å
44	T	94.5	Very high	90.3	Very high	105 Å²	105	60.1 Å²	60.1	64%	0.644	29%	0.293	S	S	*	.	H	α-helix	trans	-60.6	-49.6	176	-55.4	0	0	0	0	111.2	K40 E41 I42 L46 G47	K40-T44 PolarHBondContact O-N 3.41Å; K40-T44 PolarHBondContact O-OG1 2.8Å; E41-T44 WeakPolarHBondContact O-CA 3.42Å; E41-T44 WeakPolarHBondContact O-CB 3.49Å; E41-T44 PolarHBondContact O-N 2.91Å; E41-T44 VanDerWaalsContact O-N 3.07Å; I42-T44 VanDerWaalsContact C-N 3.31Å; I42-T44 PolarHBondContact O-N 2.87Å; T44-L46 VanDerWaalsContact C-N 3.32Å; T44-L46 PolarHBondContact O-N 3.21Å; T44-G47 WeakPolarHBondContact O-CA 3.34Å; T44-G47 PolarHBondContact O-N 3.46Å
45	T	97.1	Very high	89.3	Confident	42 Å²	42	60.7 Å²	60.7	26%	0.258	30%	0.296	S	S	.	.	H	α-helix	trans	-65	-33.4	179.3	-58.6	0	0	0	0	112.9	E41 I42 G47 G108 K109 P111 E113	E41-T45 PolarHBondContact O-N 3.18Å; E41-T45 PolarHBondContact O-OG1 3.48Å; I42-T45 PolarHBondContact O-N 3.34Å; T45-G47 PolarHBondContact O-N 3.47Å; T45-G108 VanDerWaalsContact O-CA 3.25Å; T45-G108 WeakPolarHBondContact O-CA 3.17Å; T45-K109 HydrophobicContact CG2-CB 4.35Å; T45-K109 PolarHBondContact O-N 3.12Å; T45-P111 HydrophobicContact CG2-CB 3.82Å; T45-E113 PolarHBondContact OG1-OE2 2.75Å; T45-E113 VanDerWaalsContact OG1-OE2 3.12Å
46	L	96.4	Very high	88.7	Confident	1 Å²	1	65 Å²	65	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-70.4	-13.7	172.5	-72.7	169.2	0	0	0	113.2	I42 A43 T44 I48 L101 L106 G108 P111 L125 L130	I42-L46 HydrophobicContact CG2-CD1 3.74Å; I42-L46 HydrophobicContact CG2-CG 4.45Å; I42-L46 WeakPolarHBondContact O-CB 3.48Å; I42-L46 VanDerWaalsContact O-CG 3.28Å; I42-L46 WeakPolarHBondContact O-CG 3.32Å; I42-L46 PolarHBondContact O-N 3.48Å; A43-L46 PolarHBondContact O-N 3.09Å; T44-L46 VanDerWaalsContact C-N 3.32Å; T44-L46 PolarHBondContact O-N 3.21Å; L46-I48 HydrophobicContact CB-CD1 4.33Å; L46-I48 HydrophobicContact CB-CG1 4.25Å; L46-I48 HydrophobicContact CD1-CD1 4.3Å; L46-L101 HydrophobicContact CD1-CD1 3.52Å; L46-L106 HydrophobicContact CB-CD1 4.32Å; L46-L106 HydrophobicContact CD2-CD1 4.43Å; L46-G108 WeakPolarHBondContact O-CA 3.45Å; L46-G108 PolarHBondContact O-N 3.28Å; L46-P111 HydrophobicContact CD1-CG 4.47Å; L46-P111 HydrophobicContact CD2-CG 4.12Å; L46-P111 HydrophobicContact CG-CG 4.02Å; L46-L125 HydrophobicContact CD2-CD1 4.27Å; L46-L125 HydrophobicContact CD2-CD2 4.4Å; L46-L130 HydrophobicContact CD2-CD1 3.95Å; L46-L130 HydrophobicContact CD2-CD2 3.86Å
47	G	92.7	Very high	88.5	Confident	39 Å²	39	64.6 Å²	64.6	40%	0.402	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	21.4	-177.4	0	0	0	0	0	114	A43 T44 T45 K49	A43-G47 PolarHBondContact O-N 3.09Å; A43-G47 VanDerWaalsContact O-N 3.16Å; T44-G47 WeakPolarHBondContact O-CA 3.34Å; T44-G47 PolarHBondContact O-N 3.46Å; T45-G47 PolarHBondContact O-N 3.47Å; G47-K49 PolarHBondContact O-N 3.43Å
48	I	91.4	Very high	88.3	Confident	15 Å²	15	61.2 Å²	61.2	8%	0.077	30%	0.297	C	S	.	.			trans	-76.6	114.1	172.9	-61.4	172.1	0	0	0	108.4	A43 L46 L51 I66 L101 L106	A43-I48 HydrophobicContact CB-CB 3.96Å; A43-I48 HydrophobicContact CB-CD1 4.04Å; A43-I48 HydrophobicContact CB-CG1 4.49Å; A43-I48 HydrophobicContact CB-CG2 4.33Å; A43-I48 WeakPolarHBondContact O-CB 3.27Å; A43-I48 PolarHBondContact O-N 3.14Å; L46-I48 HydrophobicContact CB-CD1 4.33Å; L46-I48 HydrophobicContact CB-CG1 4.25Å; L46-I48 HydrophobicContact CD1-CD1 4.3Å; I48-L51 HydrophobicContact CG2-CB 4.42Å; I48-I66 HydrophobicContact CD1-CD1 3.69Å; I48-I66 HydrophobicContact CD1-CG1 4.3Å; I48-I66 HydrophobicContact CG1-CD1 4.5Å; I48-I66 HydrophobicContact CG2-CG1 4.13Å; I48-I66 HydrophobicContact CG2-CG2 3.74Å; I48-L101 HydrophobicContact CD1-CD1 4.22Å; I48-L106 HydrophobicContact CD1-CD2 4.25Å; I48-L106 HydrophobicContact CG1-CD2 3.53Å
49	K	82.6	Confident	88	Confident	178 Å²	178	61.6 Å²	61.6	77%	0.774	30%	0.299	S	S	*	.	S	Bend	trans	-77.9	-37.8	-176.1	-66.5	-176.4	177.9	-178.7	0	114.2	G47	G47-K49 PolarHBondContact O-N 3.43Å
50	R	80.9	Confident	87.7	Confident	128 Å²	128	64.9 Å²	64.9	48%	0.483	32%	0.322	S	S	.	.			trans	-130.5	104.9	-177	-62.8	-173.3	-175.4	-161.4	2.9	110.7	I67 E69	R50-I67 HydrophobicContact CB-CB 3.79Å; R50-I67 HydrophobicContact CB-CG2 4.48Å; R50-I67 WeakPolarHBondContact CB-O 3.45Å; R50-I67 PolarHBondContact O-N 3.13Å; R50-E69 IonicContact CZ-OE1 2.86Å; R50-E69 IonicContact NE-OE1 2.62Å; R50-E69 PolarHBondContact NE-OE1 3.38Å; R50-E69 IonicContact NH2-OE1 3.8Å; R50-E69 PolarHBondContact NH2-OE1 3.01Å
51	L	85	Confident	87.4	Confident	43 Å²	43	61.4 Å²	61.4	23%	0.225	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-107.3	126.6	174.2	-177.8	70.1	0	0	0	109.3	A43 I48 L53 L64 I66	A43-L51 HydrophobicContact CB-CB 4.44Å; A43-L51 HydrophobicContact CB-CD2 3.8Å; I48-L51 HydrophobicContact CG2-CB 4.42Å; L51-L53 HydrophobicContact CD1-CD2 4.44Å; L51-L53 HydrophobicContact CD2-CD1 3.61Å; L51-L53 HydrophobicContact CD2-CD2 4.07Å; L51-L53 HydrophobicContact CD2-CG 3.75Å; L51-L53 HydrophobicContact CG-CD1 4.31Å; L51-L53 HydrophobicContact CG-CD2 4.16Å; L51-L53 HydrophobicContact CG-CG 3.89Å; L51-L64 HydrophobicContact CD1-CD1 3.54Å; L51-L64 HydrophobicContact CD1-CD2 3.96Å; L51-L64 HydrophobicContact CD1-CG 3.55Å; L51-I66 HydrophobicContact CD1-CG1 3.96Å
52	N	83.4	Confident	87.2	Confident	35 Å²	35	64.5 Å²	64.5	19%	0.187	32%	0.322	C	S	.	.			trans	-102.1	111.2	174.5	-172.1	-3.5	0	0	0	110.3	R54 D55 K65 I67	N52-R54 PolarHBondContact OD1-N 3.4Å; N52-D55 PolarHBondContact ND2-OD2 2.89Å; N52-K65 HydrophobicContact CB-CB 4.29Å; N52-K65 PolarHBondContact N-O 2.76Å; N52-I67 HydrophobicContact CB-CD1 4.08Å; N52-I67 HydrophobicContact CB-CG1 4.27Å
53	L	81.4	Confident	86.8	Confident	26 Å²	26	66.5 Å²	66.5	14%	0.136	34%	0.335	C	S	.	.			trans	-117.8	11.3	174.9	-61.7	176.5	0	0	0	112.3	L36 L39 K40 L51 P58 L64	L36-L53 HydrophobicContact CD1-CB 4.15Å; L36-L53 HydrophobicContact CD1-CD1 3.92Å; L36-L53 HydrophobicContact CD1-CD2 4.19Å; L36-L53 HydrophobicContact CD1-CG 4.31Å; L36-L53 HydrophobicContact CG-CD1 4.29Å; L39-L53 HydrophobicContact CB-CD1 4.43Å; K40-L53 HydrophobicContact CD-CD1 4.42Å; K40-L53 HydrophobicContact CG-CD1 3.65Å; L51-L53 HydrophobicContact CD1-CD2 4.44Å; L51-L53 HydrophobicContact CD2-CD1 3.61Å; L51-L53 HydrophobicContact CD2-CD2 4.07Å; L51-L53 HydrophobicContact CD2-CG 3.75Å; L51-L53 HydrophobicContact CG-CD1 4.31Å; L51-L53 HydrophobicContact CG-CD2 4.16Å; L51-L53 HydrophobicContact CG-CG 3.89Å; L53-P58 HydrophobicContact CD2-CG 3.72Å; L53-L64 HydrophobicContact CD2-CD1 3.95Å
54	R	74.3	Confident	86.4	Confident	235 Å²	235	66.5 Å²	66.5	89%	0.887	33%	0.334	S	S	*	.	S	Bend	trans	-89.8	-36	-172.9	-69.3	-173.3	179.9	-164.3	0.2	113.2	N52	N52-R54 PolarHBondContact OD1-N 3.4Å
55	D	70.9	Confident	85.9	Confident	121 Å²	121	65 Å²	65	65%	0.647	32%	0.319	S	S	*	.	S	Bend	trans	-92.6	-25	-164.7	-57.1	-31.3	0	0	0	113.7	N52	N52-D55 PolarHBondContact ND2-OD2 2.89Å
56	E	81.2	Confident	85.1	Confident	90 Å²	90	64.5 Å²	64.5	42%	0.421	31%	0.314	S	S	.	.	S	Bend	trans	-155.4	142.9	-176.2	-161.9	174.1	-178.7	0	0	110.9	K65	E56-K65 WeakPolarHBondContact OE2-CE 3.46Å; E56-K65 IonicContact OE2-NZ 3.79Å; E56-K65 PolarHBondContact OE2-NZ 2.98Å
57	D	86.2	Confident	83.9	Confident	37 Å²	37	68.3 Å²	68.3	20%	0.198	33%	0.334	C	S	.	.			trans	-69.1	126.2	176.3	175.1	82	0	0	0	110.8	L31 C59 S60 S61	L31-D57 WeakPolarHBondContact CB-OD1 3.49Å; L31-D57 PolarHBondContact N-OD1 3.21Å; D57-C59 PolarHBondContact O-N 3.44Å; D57-C59 WeakPolarHBondContact OD2-CA 3.41Å; D57-C59 VanDerWaalsContact OD2-CB 3.25Å; D57-C59 WeakPolarHBondContact OD2-CB 3.49Å; D57-C59 PolarHBondContact OD2-N 3.3Å; D57-S60 WeakPolarHBondContact O-CB 3.49Å; D57-S60 PolarHBondContact O-N 3Å; D57-S60 PolarHBondContact OD2-N 2.71Å; D57-S60 PolarHBondContact OD2-OG 2.98Å; D57-S61 PolarHBondContact O-N 3.11Å; D57-S61 PolarHBondContact O-OG 3.01Å
58	P	88.1	Confident	82.4	Confident	5 Å²	5	70 Å²	70	3%	0.032	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.6	-175.8	-23.9	33	0	0	0	115.1	L31 L36 L39 L53 S61 K62 T63 I82	L31-P58 HydrophobicContact CD2-CG 4.24Å; L36-P58 HydrophobicContact CD1-CG 4.42Å; L39-P58 HydrophobicContact CD1-CG 4.28Å; L53-P58 HydrophobicContact CD2-CG 3.72Å; P58-S61 WeakPolarHBondContact CA-OG 3.48Å; P58-S61 PolarHBondContact O-OG 3.37Å; P58-K62 VanDerWaalsContact O-CA 3.32Å; P58-K62 WeakPolarHBondContact O-CA 3.47Å; P58-K62 PolarHBondContact O-N 3.27Å; P58-T63 PolarHBondContact O-N 3.19Å; P58-I82 HydrophobicContact CB-CD1 3.86Å
59	C	90	Very high	80.5	Confident	10 Å²	10	73.7 Å²	73.7	7%	0.068	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-33.4	175.8	-68.8	0	0	0	0	111.6	D57 C84 C94	D57-C59 PolarHBondContact O-N 3.44Å; D57-C59 WeakPolarHBondContact OD2-CA 3.41Å; D57-C59 VanDerWaalsContact OD2-CB 3.25Å; D57-C59 WeakPolarHBondContact OD2-CB 3.49Å; D57-C59 PolarHBondContact OD2-N 3.3Å; C59-C84 WeakPolarHBondContact CA-SG 3.33Å; C59-C84 HydrophobicContact CB-CB 3.51Å; C59-C84 WeakPolarHBondContact CB-SG 3.42Å; C59-C84 WeakPolarHBondContact SG-CB 3.45Å; C59-C84 CovalentContact SG-SG 2.03Å; C59-C84 PolarHBondContact SG-SG 2.99Å; C59-C94 HydrophobicContact CB-CB 3.8Å; C59-C94 VanDerWaalsContact SG-CB 3.53Å
60	S	87.7	Confident	78.8	Confident	70 Å²	70	70.8 Å²	70.8	49%	0.49	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-46.8	174.8	-58.2	0	0	0	0	111.5	D57 K62	D57-S60 WeakPolarHBondContact O-CB 3.49Å; D57-S60 PolarHBondContact O-N 3Å; D57-S60 PolarHBondContact OD2-N 2.71Å; D57-S60 PolarHBondContact OD2-OG 2.98Å; S60-K62 PolarHBondContact O-N 3.46Å
61	S	86.7	Confident	77.1	Confident	24 Å²	24	72.4 Å²	72.4	17%	0.168	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-12.9	177.1	68.8	0	0	0	0	113.6	D57 P58 T63	D57-S61 PolarHBondContact O-N 3.11Å; D57-S61 PolarHBondContact O-OG 3.01Å; P58-S61 WeakPolarHBondContact CA-OG 3.48Å; P58-S61 PolarHBondContact O-OG 3.37Å; S61-T63 WeakPolarHBondContact CB-OG1 3.25Å; S61-T63 PolarHBondContact O-N 3.06Å; S61-T63 PolarHBondContact O-OG1 3.4Å; S61-T63 PolarHBondContact OG-N 2.8Å; S61-T63 PolarHBondContact OG-O 3.22Å; S61-T63 PolarHBondContact OG-OG1 3.07Å
62	K	89.4	Confident	75.4	Confident	143 Å²	143	73.9 Å²	73.9	62%	0.622	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	21.4	-170.5	-62.5	-176.6	175.8	-178.9	0	114	P58 S60 T81 I82	P58-K62 VanDerWaalsContact O-CA 3.32Å; P58-K62 WeakPolarHBondContact O-CA 3.47Å; P58-K62 PolarHBondContact O-N 3.27Å; S60-K62 PolarHBondContact O-N 3.46Å; K62-T81 WeakPolarHBondContact O-CA 3.4Å; K62-I82 CarbonylContact C-O 3.54Å; K62-I82 WeakPolarHBondContact CA-O 3.36Å; K62-I82 PolarHBondContact O-N 3.33Å
63	T	88.3	Confident	73.6	Confident	45 Å²	45	76.3 Å²	76.3	28%	0.276	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-146.9	140.4	-171.9	50.9	0	0	0	0	110.8	P58 S61 K65 N80	P58-T63 PolarHBondContact O-N 3.19Å; S61-T63 WeakPolarHBondContact CB-OG1 3.25Å; S61-T63 PolarHBondContact O-N 3.06Å; S61-T63 PolarHBondContact O-OG1 3.4Å; S61-T63 PolarHBondContact OG-N 2.8Å; S61-T63 PolarHBondContact OG-O 3.22Å; S61-T63 PolarHBondContact OG-OG1 3.07Å; T63-K65 PolarHBondContact O-N 2.77Å; T63-N80 CarbonylContact C-O 3.55Å; T63-N80 WeakPolarHBondContact CA-O 3.23Å
64	L	87	Confident	72.1	Confident	4 Å²	4	80.7 Å²	80.7	2%	0.021	41%	0.414	C	S	.	.			trans	-86.1	107.5	173.4	-166.7	60.1	0	0	0	109.8	L39 L51 L53 I66 N80 I82 L101	L39-L64 HydrophobicContact CD1-CD1 4.19Å; L51-L64 HydrophobicContact CD1-CD1 3.54Å; L51-L64 HydrophobicContact CD1-CD2 3.96Å; L51-L64 HydrophobicContact CD1-CG 3.55Å; L53-L64 HydrophobicContact CD2-CD1 3.95Å; L64-I66 HydrophobicContact CD2-CD1 4.13Å; L64-I66 HydrophobicContact CD2-CG1 4.42Å; L64-I66 HydrophobicContact CG-CD1 4.29Å; L64-I66 HydrophobicContact CG-CG1 4.21Å; L64-I66 PolarHBondContact O-N 3.42Å; L64-N80 PolarHBondContact N-O 3.37Å; L64-N80 PolarHBondContact O-ND2 2.92Å; L64-I82 HydrophobicContact CB-CD1 3.67Å; L64-I82 HydrophobicContact CB-CG1 4.17Å; L64-I82 HydrophobicContact CD1-CD1 3.7Å; L64-I82 HydrophobicContact CD2-CD1 4.48Å; L64-I82 HydrophobicContact CG-CD1 4.13Å; L64-L101 HydrophobicContact CB-CD2 4.32Å; L64-L101 HydrophobicContact CD2-CD1 4.34Å; L64-L101 HydrophobicContact CD2-CD2 3.98Å
65	K	83.9	Confident	71.3	Confident	73 Å²	73	71 Å²	71	32%	0.317	38%	0.38	S	S	.	.			trans	-70.7	102.1	179.7	-70.4	-173.9	-177.9	177.7	0	111.3	N52 E56 T63	N52-K65 HydrophobicContact CB-CB 4.29Å; N52-K65 PolarHBondContact N-O 2.76Å; E56-K65 WeakPolarHBondContact OE2-CE 3.46Å; E56-K65 IonicContact OE2-NZ 3.79Å; E56-K65 PolarHBondContact OE2-NZ 2.98Å; T63-K65 PolarHBondContact O-N 2.77Å
66	I	80.6	Confident	70.9	Confident	32 Å²	32	73.4 Å²	73.4	16%	0.164	39%	0.392	C	S	.	.	B	Isolated β-bridge	trans	-107.7	121.5	178.1	-64.5	161.4	0	0	0	108.2	I48 L51 L64 Q68 L101 M104	I48-I66 HydrophobicContact CD1-CD1 3.69Å; I48-I66 HydrophobicContact CD1-CG1 4.3Å; I48-I66 HydrophobicContact CG1-CD1 4.5Å; I48-I66 HydrophobicContact CG2-CG1 4.13Å; I48-I66 HydrophobicContact CG2-CG2 3.74Å; L51-I66 HydrophobicContact CD1-CG1 3.96Å; L64-I66 HydrophobicContact CD2-CD1 4.13Å; L64-I66 HydrophobicContact CD2-CG1 4.42Å; L64-I66 HydrophobicContact CG-CD1 4.29Å; L64-I66 HydrophobicContact CG-CG1 4.21Å; L64-I66 PolarHBondContact O-N 3.42Å; I66-Q68 HydrophobicContact CG2-CG 4.5Å; I66-Q68 PolarHBondContact O-N 2.97Å; I66-L101 HydrophobicContact CD1-CD2 4.08Å; I66-M104 HydrophobicContact CB-CE 4.22Å; I66-M104 HydrophobicContact CD1-CE 3.38Å; I66-M104 HydrophobicContact CD1-SD 3.98Å; I66-M104 HydrophobicContact CG1-CE 4.39Å; I66-M104 HydrophobicContact CG2-CE 4.23Å
67	I	70.5	Confident	70.7	Confident	82 Å²	82	73 Å²	73	42%	0.421	39%	0.392	S	S	.	.			trans	-84	104.1	175.9	-55.9	171	0	0	0	106.8	R50 N52	R50-I67 HydrophobicContact CB-CB 3.79Å; R50-I67 HydrophobicContact CB-CG2 4.48Å; R50-I67 WeakPolarHBondContact CB-O 3.45Å; R50-I67 PolarHBondContact O-N 3.13Å; N52-I67 HydrophobicContact CB-CD1 4.08Å; N52-I67 HydrophobicContact CB-CG1 4.27Å
68	Q	61.1	Low	70.6	Confident	75 Å²	75	73.6 Å²	73.6	35%	0.35	40%	0.395	S	S	.	.			trans	-74.9	131.4	176.4	-63.7	-175.5	-0.5	0	0	110.1	I66 F72	I66-Q68 HydrophobicContact CG2-CG 4.5Å; I66-Q68 PolarHBondContact O-N 2.97Å; Q68-F72 VanDerWaalsContact OE1-CD2 3.28Å
69	E	51.8	Low	70.7	Confident	92 Å²	92	75.9 Å²	75.9	43%	0.43	41%	0.407	S	S	.	.			trans	-87.2	120.6	167.2	-72.3	179.3	163.8	0	0	108.4	R50	R50-E69 IonicContact CZ-OE1 2.86Å; R50-E69 IonicContact NE-OE1 2.62Å; R50-E69 PolarHBondContact NE-OE1 3.38Å; R50-E69 IonicContact NH2-OE1 3.8Å; R50-E69 PolarHBondContact NH2-OE1 3.01Å
70	V	47.1	Very low	70.7	Confident	116 Å²	116	77.5 Å²	77.5	70%	0.703	42%	0.415	S	S	*	.	S	Bend	trans	86.9	123	166	-164.7	0	0	0	0	117.6	F72	V70-F72 VanDerWaalsContact C-N 3.32Å; V70-F72 PolarHBondContact O-N 3.47Å
71	D	44.3	Very low	71	Confident	162 Å²	162	76.6 Å²	76.6	87%	0.866	41%	0.407	S	S	*	.			trans	22.6	51.4	156.6	-59.3	-25.9	0	0	0	118.3	V73	D71-V73 PolarHBondContact O-N 3.1Å
72	F	48.6	Very low	71.4	Confident	74 Å²	74	75.5 Å²	75.5	33%	0.325	40%	0.399	S	S	.	.			trans	-71.4	121.5	167.7	-126.8	-96.2	0	0	0	108.4	Q68 V70 I78	Q68-F72 VanDerWaalsContact OE1-CD2 3.28Å; V70-F72 VanDerWaalsContact C-N 3.32Å; V70-F72 PolarHBondContact O-N 3.47Å; F72-I78 HydrophobicContact CD1-CD1 3.93Å; F72-I78 HydrophobicContact CE1-CD1 3.86Å
73	V	47.6	Very low	71.6	Confident	86 Å²	86	69.4 Å²	69.4	52%	0.521	38%	0.377	S	S	.	.			trans	-57.2	129.5	160.4	-179.5	0	0	0	0	105.7	D71 N75 K516	D71-V73 PolarHBondContact O-N 3.1Å; V73-N75 PolarHBondContact O-N 3.5Å; V73-K516 HydrophobicContact CG2-CD 4.4Å
74	P	49.5	Very low	72	Confident	119 Å²	119	69 Å²	69	77%	0.773	38%	0.375	S	S	*	.			trans	-56.9	101.4	176	19.4	-29	0	0	0	108.8
75	N	57.7	Low	72.4	Confident	30 Å²	30	71.2 Å²	71.2	16%	0.16	39%	0.387	C	S	.	.			trans	-89	115.9	174.6	-175.9	-18.7	0	0	0	107	V73 D77 I78 T103 E517	V73-N75 PolarHBondContact O-N 3.5Å; N75-D77 PolarHBondContact O-N 2.93Å; N75-D77 VanDerWaalsContact O-N 3.12Å; N75-D77 WeakPolarHBondContact OD1-CB 3.5Å; N75-D77 PolarHBondContact OD1-N 3.35Å; N75-I78 HydrophobicContact CB-CD1 4.27Å; N75-I78 HydrophobicContact CB-CG1 4.14Å; N75-I78 PolarHBondContact O-N 3.33Å; N75-T103 WeakPolarHBondContact ND2-CG2 3.41Å; N75-E517 PolarHBondContact ND2-OE1 3.14Å
76	L	62.5	Low	72.8	Confident	173 Å²	173	69.5 Å²	69.5	91%	0.906	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-13.7	-178.7	-69.1	164.4	0	0	0	113
77	D	76	Confident	73.3	Confident	80 Å²	80	71.4 Å²	71.4	43%	0.428	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	6.1	-177.1	-62.5	-27.3	0	0	0	113.9	N75 N79 T103	N75-D77 PolarHBondContact O-N 2.93Å; N75-D77 VanDerWaalsContact O-N 3.12Å; N75-D77 WeakPolarHBondContact OD1-CB 3.5Å; N75-D77 PolarHBondContact OD1-N 3.35Å; D77-N79 PolarHBondContact O-N 2.81Å; D77-T103 HydrophobicContact CB-CG2 4.36Å; D77-T103 WeakPolarHBondContact O-CB 3.36Å; D77-T103 PolarHBondContact O-OG1 2.87Å
78	I	84.6	Confident	74.1	Confident	50 Å²	50	69.8 Å²	69.8	26%	0.256	39%	0.39	S	S	.	.			trans	-65.7	128.4	172.1	-65.5	171.6	0	0	0	108.7	F72 N75 M104	F72-I78 HydrophobicContact CD1-CD1 3.93Å; F72-I78 HydrophobicContact CE1-CD1 3.86Å; N75-I78 HydrophobicContact CB-CD1 4.27Å; N75-I78 HydrophobicContact CB-CG1 4.14Å; N75-I78 PolarHBondContact O-N 3.33Å; I78-M104 HydrophobicContact CG2-CG 4.29Å
79	N	89.2	Confident	75.4	Confident	53 Å²	53	71.7 Å²	71.7	28%	0.283	40%	0.403	S	S	.	.	B	Isolated β-bridge	trans	-130.4	114.4	174.5	-175.3	-18.8	0	0	0	109.2	D77 T81 A100 L101 K102	D77-N79 PolarHBondContact O-N 2.81Å; N79-T81 WeakPolarHBondContact OD1-CB 3.22Å; N79-T81 PolarHBondContact OD1-N 2.83Å; N79-T81 PolarHBondContact OD1-OG1 3.25Å; N79-A100 CarbonylContact O-C 3.58Å; N79-A100 VanDerWaalsContact O-O 3.07Å; N79-L101 CarbonylContact O-C 3.6Å; N79-L101 VanDerWaalsContact O-CA 3.23Å; N79-L101 WeakPolarHBondContact O-CA 3.46Å; N79-K102 HydrophobicContact CB-CB 4.13Å; N79-K102 HydrophobicContact CB-CG 4.42Å; N79-K102 PolarHBondContact N-O 3.05Å; N79-K102 PolarHBondContact O-N 2.81Å
80	N	91.5	Very high	77	Confident	45 Å²	45	74.8 Å²	74.8	24%	0.241	42%	0.422	C	S	.	.			trans	-118.5	35.7	176.5	60.7	-29.4	0	0	0	111.8	T63 L64 A100 L101 M104	T63-N80 CarbonylContact C-O 3.55Å; T63-N80 WeakPolarHBondContact CA-O 3.23Å; L64-N80 PolarHBondContact N-O 3.37Å; L64-N80 PolarHBondContact O-ND2 2.92Å; N80-A100 CarbonylContact C-O 3.58Å; N80-A100 WeakPolarHBondContact CA-O 3.48Å; N80-L101 HydrophobicContact CB-CD2 4.08Å; N80-M104 HydrophobicContact CB-SD 4.21Å
81	T	93.3	Very high	78.8	Confident	50 Å²	50	74.2 Å²	74.2	31%	0.307	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-71.2	139.4	-174.2	-57.2	0	0	0	0	112.2	K62 N79 A100	K62-T81 WeakPolarHBondContact O-CA 3.4Å; N79-T81 WeakPolarHBondContact OD1-CB 3.22Å; N79-T81 PolarHBondContact OD1-N 2.83Å; N79-T81 PolarHBondContact OD1-OG1 3.25Å; T81-A100 PolarHBondContact N-O 3.28Å; T81-A100 PolarHBondContact O-N 2.87Å
82	I	93.9	Very high	80.9	Confident	1 Å²	1	69 Å²	69	1%	0.005	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.9	167.2	-72.3	-178.3	0	0	0	108.3	L39 P58 K62 L64 C84 I96 L99	L39-I82 HydrophobicContact CD1-CD1 4.25Å; L39-I82 HydrophobicContact CD2-CD1 4.43Å; P58-I82 HydrophobicContact CB-CD1 3.86Å; K62-I82 CarbonylContact C-O 3.54Å; K62-I82 WeakPolarHBondContact CA-O 3.36Å; K62-I82 PolarHBondContact O-N 3.33Å; L64-I82 HydrophobicContact CB-CD1 3.67Å; L64-I82 HydrophobicContact CB-CG1 4.17Å; L64-I82 HydrophobicContact CD1-CD1 3.7Å; L64-I82 HydrophobicContact CD2-CD1 4.48Å; L64-I82 HydrophobicContact CG-CD1 4.13Å; I82-C84 VanDerWaalsContact CG2-SG 3.52Å; I82-I96 HydrophobicContact CG2-CG1 4.31Å; I82-I96 HydrophobicContact CG2-CG2 4.2Å; I82-L99 HydrophobicContact CD1-CD1 4.35Å; I82-L99 HydrophobicContact CG1-CD1 4Å
83	G	95.3	Very high	82.9	Confident	15 Å²	15	67.2 Å²	67.2	16%	0.155	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	131.2	170.1	0	0	0	0	0	110.3	T97 E98	G83-T97 PolarHBondContact O-N 3.12Å; G83-T97 PolarHBondContact O-OG1 3.43Å; G83-E98 PolarHBondContact N-O 3.25Å; G83-E98 PolarHBondContact O-N 3.02Å; G83-E98 VanDerWaalsContact O-N 3.09Å
84	C	95.6	Very high	85.1	Confident	36 Å²	36	63.1 Å²	63.1	24%	0.243	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.8	178.4	-60.6	0	0	0	0	112.2	C59 I82 C94 R95	C59-C84 WeakPolarHBondContact CA-SG 3.33Å; C59-C84 HydrophobicContact CB-CB 3.51Å; C59-C84 WeakPolarHBondContact CB-SG 3.42Å; C59-C84 WeakPolarHBondContact SG-CB 3.45Å; C59-C84 CovalentContact SG-SG 2.03Å; C59-C84 PolarHBondContact SG-SG 2.99Å; I82-C84 VanDerWaalsContact CG2-SG 3.52Å; C84-C94 HydrophobicContact CB-CB 4.24Å; C84-R95 CarbonylContact C-O 3.55Å; C84-R95 VanDerWaalsContact CA-O 3.23Å; C84-R95 WeakPolarHBondContact CA-O 3.33Å
85	D	94.6	Very high	87.3	Confident	52 Å²	52	59.4 Å²	59.4	28%	0.278	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	114.7	166.2	-178.6	-5.5	0	0	0	108.2	S87 F88 C94 R95 T97	D85-S87 VanDerWaalsContact OD1-CB 3.25Å; D85-S87 WeakPolarHBondContact OD1-CB 3.42Å; D85-S87 PolarHBondContact OD1-N 3.38Å; D85-S87 PolarHBondContact OD1-OG 3.29Å; D85-S87 PolarHBondContact OD2-OG 3.16Å; D85-F88 HydrophobicContact CB-CE2 4.02Å; D85-F88 WeakPolarHBondContact O-CD2 3.45Å; D85-C94 WeakPolarHBondContact O-CA 3.41Å; D85-R95 PolarHBondContact N-O 3.29Å; D85-R95 PolarHBondContact O-N 2.92Å; D85-T97 HydrophobicContact CB-CG2 3.72Å
86	C	93.2	Very high	89.2	Confident	37 Å²	37	58 Å²	58	25%	0.25	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	20.7	-178.3	-56.4	0	0	0	0	112.4	F88 N91 I93 C94	C86-F88 PolarHBondContact O-N 3.04Å; C86-N91 WeakPolarHBondContact O-CA 3.25Å; C86-I93 WeakPolarHBondContact CA-O 3.09Å; C86-C94 HydrophobicContact CB-CB 4.08Å; C86-C94 WeakPolarHBondContact CB-SG 3.33Å; C86-C94 WeakPolarHBondContact SG-CB 3.44Å; C86-C94 CovalentContact SG-SG 2.04Å; C86-C94 PolarHBondContact SG-SG 3.5Å
87	S	91	Very high	90.9	Very high	72 Å²	72	50.8 Å²	50.8	50%	0.503	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-1.7	178.5	62.4	0	0	0	0	114.2	D85 N91	D85-S87 VanDerWaalsContact OD1-CB 3.25Å; D85-S87 WeakPolarHBondContact OD1-CB 3.42Å; D85-S87 PolarHBondContact OD1-N 3.38Å; D85-S87 PolarHBondContact OD1-OG 3.29Å; D85-S87 PolarHBondContact OD2-OG 3.16Å; S87-N91 WeakPolarHBondContact CA-OD1 3.36Å
88	F	88.3	Confident	91.9	Very high	48 Å²	48	50.5 Å²	50.5	21%	0.211	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	144.5	-175	-61.1	-96.4	0	0	0	112.2	D85 C86 N91 T92 I93 R95 Y119	D85-F88 HydrophobicContact CB-CE2 4.02Å; D85-F88 WeakPolarHBondContact O-CD2 3.45Å; C86-F88 PolarHBondContact O-N 3.04Å; F88-N91 PolarHBondContact O-N 2.86Å; F88-T92 PolarHBondContact O-N 2.89Å; F88-T92 VanDerWaalsContact O-N 3.08Å; F88-I93 HydrophobicContact CB-CB 4.21Å; F88-I93 WeakPolarHBondContact CB-O 3.19Å; F88-I93 PolarHBondContact O-N 2.84Å; F88-R95 HydrophobicContact CD1-CG 4.26Å; F88-R95 HydrophobicContact CD2-CB 4.06Å; F88-R95 HydrophobicContact CD2-CG 3.48Å; F88-R95 VanDerWaalsContact CD2-CG 3.48Å; F88-R95 HydrophobicContact CE1-CG 4.19Å; F88-R95 HydrophobicContact CE2-CB 3.65Å; F88-R95 HydrophobicContact CE2-CG 3.42Å; F88-R95 VanDerWaalsContact CE2-CG 3.42Å; F88-R95 HydrophobicContact CG-CG 3.93Å; F88-R95 HydrophobicContact CZ-CB 4.19Å; F88-R95 HydrophobicContact CZ-CG 3.79Å; F88-Y119 HydrophobicContact CE1-CD1 4.21Å; F88-Y119 AromaticContact CE1-CE1 3.61Å; F88-Y119 HydrophobicContact CE1-CE1 3.61Å; F88-Y119 HydrophobicContact CE1-CE2 4.38Å; F88-Y119 AromaticContact CE1-CZ 3.71Å; F88-Y119 AromaticContact CZ-CD1 3.77Å; F88-Y119 HydrophobicContact CZ-CD1 3.77Å; F88-Y119 AromaticContact CZ-CE1 3.67Å; F88-Y119 HydrophobicContact CZ-CE1 3.67Å; F88-Y119 HydrophobicContact CZ-CG 4.24Å
89	N	86.8	Confident	92.5	Very high	114 Å²	114	48.1 Å²	48.1	61%	0.61	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	62.5	177.2	-71.4	-3.7	0	0	0	113.2	N91 T92 I93	N89-N91 VanDerWaalsContact C-N 3.31Å; N89-N91 PolarHBondContact O-N 3.05Å; N89-T92 WeakPolarHBondContact CB-OG1 3.34Å; N89-T92 WeakPolarHBondContact O-CB 3.43Å; N89-T92 WeakPolarHBondContact O-CG2 2.95Å; N89-T92 PolarHBondContact O-N 3.37Å; N89-T92 PolarHBondContact O-OG1 3.04Å; N89-I93 HydrophobicContact CB-CD1 4.27Å; N89-I93 HydrophobicContact CB-CG1 4.32Å; N89-I93 VanDerWaalsContact ND2-CD1 3.28Å; N89-I93 WeakPolarHBondContact ND2-CD1 3.33Å
90	N	86.5	Confident	92.8	Very high	157 Å²	157	45.6 Å²	45.6	84%	0.84	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	43.3	-177.6	-67.9	-5.4	0	0	0	113.6	T92	N90-T92 VanDerWaalsContact C-N 3.32Å; N90-T92 PolarHBondContact O-N 3.28Å
91	N	85.8	Confident	93	Very high	105 Å²	105	43.5 Å²	43.5	56%	0.561	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	33.5	-178.7	-50.6	-26.3	0	0	0	114.9	S29 C86 S87 F88 N89	S29-N91 VanDerWaalsContact CB-O 3.28Å; S29-N91 WeakPolarHBondContact CB-O 3.21Å; C86-N91 WeakPolarHBondContact O-CA 3.25Å; S87-N91 WeakPolarHBondContact CA-OD1 3.36Å; F88-N91 PolarHBondContact O-N 2.86Å; N89-N91 VanDerWaalsContact C-N 3.31Å; N89-N91 PolarHBondContact O-N 3.05Å
92	T	86.7	Confident	93	Very high	52 Å²	52	43.7 Å²	43.7	32%	0.319	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-21.1	179	60.8	0	0	0	0	113.5	S29 S30 F88 N89 N90	S29-T92 WeakPolarHBondContact CA-O 3.35Å; S30-T92 PolarHBondContact N-O 3.41Å; S30-T92 VanDerWaalsContact N-O 3.15Å; F88-T92 PolarHBondContact O-N 2.89Å; F88-T92 VanDerWaalsContact O-N 3.08Å; N89-T92 WeakPolarHBondContact CB-OG1 3.34Å; N89-T92 WeakPolarHBondContact O-CB 3.43Å; N89-T92 WeakPolarHBondContact O-CG2 2.95Å; N89-T92 PolarHBondContact O-N 3.37Å; N89-T92 PolarHBondContact O-OG1 3.04Å; N90-T92 VanDerWaalsContact C-N 3.32Å; N90-T92 PolarHBondContact O-N 3.28Å
93	I	91.6	Very high	92.9	Very high	36 Å²	36	43.7 Å²	43.7	19%	0.185	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.1	-177.8	-60.2	-176.7	0	0	0	109.7	H32 C86 F88 N89	H32-I93 HydrophobicContact CB-CG2 4.03Å; C86-I93 WeakPolarHBondContact CA-O 3.09Å; F88-I93 HydrophobicContact CB-CB 4.21Å; F88-I93 WeakPolarHBondContact CB-O 3.19Å; F88-I93 PolarHBondContact O-N 2.84Å; N89-I93 HydrophobicContact CB-CD1 4.27Å; N89-I93 HydrophobicContact CB-CG1 4.32Å; N89-I93 VanDerWaalsContact ND2-CD1 3.28Å; N89-I93 WeakPolarHBondContact ND2-CD1 3.33Å
94	C	94.3	Very high	92.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	141.3	170.5	-59.3	0	0	0	0	111.3	S29 S30 H32 C59 C84 D85 C86	S29-C94 VanDerWaalsContact CB-SG 3.56Å; S29-C94 PolarHBondContact OG-SG 3.4Å; S30-C94 PolarHBondContact O-N 3.33Å; H32-C94 PolarHBondContact N-O 2.98Å; C59-C94 HydrophobicContact CB-CB 3.8Å; C59-C94 VanDerWaalsContact SG-CB 3.53Å; C84-C94 HydrophobicContact CB-CB 4.24Å; D85-C94 WeakPolarHBondContact O-CA 3.41Å; C86-C94 HydrophobicContact CB-CB 4.08Å; C86-C94 WeakPolarHBondContact CB-SG 3.33Å; C86-C94 WeakPolarHBondContact SG-CB 3.44Å; C86-C94 CovalentContact SG-SG 2.04Å; C86-C94 PolarHBondContact SG-SG 3.5Å
95	R	95.6	Very high	92.2	Very high	41 Å²	41	42.5 Å²	42.5	16%	0.155	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	136.1	174.5	-62.7	-67.4	-173.1	174.6	-4.8	109.8	H32 E35 C84 D85 F88 T97 Y119	H32-R95 VanDerWaalsContact CD2-CZ 3.43Å; H32-R95 PolarHBondContact CD2-NH2 2.85Å; H32-R95 VanDerWaalsContact CG-NH1 3.27Å; H32-R95 PolarHBondContact ND1-NH1 2.85Å; H32-R95 PolarHBondContact NE2-NH2 3.22Å; E35-R95 WeakPolarHBondContact OE1-CD 3.5Å; E35-R95 IonicContact OE1-CZ 2.71Å; E35-R95 IonicContact OE1-NE 2.79Å; E35-R95 IonicContact OE1-NH1 2.87Å; E35-R95 PolarHBondContact OE1-NH1 2.82Å; E35-R95 WeakPolarHBondContact OE2-CA 3.47Å; C84-R95 CarbonylContact C-O 3.55Å; C84-R95 VanDerWaalsContact CA-O 3.23Å; C84-R95 WeakPolarHBondContact CA-O 3.33Å; D85-R95 PolarHBondContact N-O 3.29Å; D85-R95 PolarHBondContact O-N 2.92Å; F88-R95 HydrophobicContact CD1-CG 4.26Å; F88-R95 HydrophobicContact CD2-CB 4.06Å; F88-R95 HydrophobicContact CD2-CG 3.48Å; F88-R95 VanDerWaalsContact CD2-CG 3.48Å; F88-R95 HydrophobicContact CE1-CG 4.19Å; F88-R95 HydrophobicContact CE2-CB 3.65Å; F88-R95 HydrophobicContact CE2-CG 3.42Å; F88-R95 VanDerWaalsContact CE2-CG 3.42Å; F88-R95 HydrophobicContact CG-CG 3.93Å; F88-R95 HydrophobicContact CZ-CB 4.19Å; F88-R95 HydrophobicContact CZ-CG 3.79Å; R95-T97 PolarHBondContact O-N 3.45Å; R95-Y119 HydrophobicContact CB-CD2 3.86Å; R95-Y119 HydrophobicContact CB-CG 4.07Å; R95-Y119 HydrophobicContact CG-CD2 3.71Å; R95-Y119 HydrophobicContact CG-CE2 3.97Å; R95-Y119 HydrophobicContact CG-CG 4.28Å
96	I	96.7	Very high	92.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	127.9	179.1	-57.5	177.1	0	0	0	109.7	L31 E35 L39 I82 L117 Y119 L120	L31-I96 HydrophobicContact CD1-CD1 3.95Å; L31-I96 HydrophobicContact CD1-CG1 3.58Å; L31-I96 HydrophobicContact CD2-CD1 4.1Å; E35-I96 PolarHBondContact OE2-N 2.81Å; L39-I96 HydrophobicContact CD1-CD1 3.79Å; L39-I96 HydrophobicContact CD2-CD1 3.89Å; L39-I96 HydrophobicContact CG-CD1 3.89Å; I82-I96 HydrophobicContact CG2-CG1 4.31Å; I82-I96 HydrophobicContact CG2-CG2 4.2Å; I96-L117 HydrophobicContact CB-CD1 4.48Å; I96-L117 HydrophobicContact CD1-CD1 4.24Å; I96-L117 HydrophobicContact CD1-CD2 4.05Å; I96-L117 HydrophobicContact CG2-CD1 4.32Å; I96-Y119 CarbonylContact O-C 3.31Å; I96-Y119 VanDerWaalsContact O-C 3.31Å; I96-L120 HydrophobicContact CG2-CD1 3.74Å; I96-L120 PolarHBondContact O-N 2.95Å
97	T	97.5	Very high	92.1	Very high	23 Å²	23	46.5 Å²	46.5	14%	0.141	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	-22	179.3	58.1	0	0	0	0	113	G83 D85 R95 K121 S122	G83-T97 PolarHBondContact O-N 3.12Å; G83-T97 PolarHBondContact O-OG1 3.43Å; D85-T97 HydrophobicContact CB-CG2 3.72Å; R95-T97 PolarHBondContact O-N 3.45Å; T97-K121 WeakPolarHBondContact O-CA 3.16Å; T97-K121 WeakPolarHBondContact O-CB 3.39Å; T97-K121 PolarHBondContact O-N 2.98Å; T97-S122 PolarHBondContact O-N 3.4Å
98	E	97.7	Very high	92.4	Very high	73 Å²	73	43.7 Å²	43.7	34%	0.341	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	136.8	176.4	175.9	175	-173.7	0	0	110.2	G83	G83-E98 PolarHBondContact N-O 3.25Å; G83-E98 PolarHBondContact O-N 3.02Å; G83-E98 VanDerWaalsContact O-N 3.09Å
99	L	97.2	Very high	92.8	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	107.9	172.3	-179.2	66.9	0	0	0	109.3	I42 I82 L101 L114 L120 S122 E124	I42-L99 HydrophobicContact CG2-CD2 4.3Å; I82-L99 HydrophobicContact CD1-CD1 4.35Å; I82-L99 HydrophobicContact CG1-CD1 4Å; L99-L101 HydrophobicContact CD1-CD1 4.26Å; L99-L101 HydrophobicContact CD1-CD2 4.48Å; L99-L101 HydrophobicContact CD1-CG 4.14Å; L99-L101 HydrophobicContact CG-CD1 4.44Å; L99-L101 HydrophobicContact CG-CG 4.35Å; L99-L114 HydrophobicContact CD2-CD2 3.59Å; L99-L120 HydrophobicContact CB-CD1 4.03Å; L99-S122 PolarHBondContact N-O 2.87Å; L99-S122 VanDerWaalsContact N-O 3.09Å; L99-E124 PolarHBondContact O-N 2.76Å
100	A	96.2	Very high	93.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	114.4	175.7	0	0	0	0	0	110.5	N79 N80 T81 E124	N79-A100 CarbonylContact O-C 3.58Å; N79-A100 VanDerWaalsContact O-O 3.07Å; N80-A100 CarbonylContact C-O 3.58Å; N80-A100 WeakPolarHBondContact CA-O 3.48Å; T81-A100 PolarHBondContact N-O 3.28Å; T81-A100 PolarHBondContact O-N 2.87Å; A100-E124 CarbonylContact C-O 3.57Å; A100-E124 WeakPolarHBondContact CA-O 3.48Å; A100-E124 HydrophobicContact CB-CB 3.8Å
101	L	95.4	Very high	93.9	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.167	C	C	.	.			trans	-129.2	78.8	175.3	-59.2	176.5	0	0	0	108.7	L46 I48 L64 I66 N79 N80 L99 M104 L106 E124 L125 N128	L46-L101 HydrophobicContact CD1-CD1 3.52Å; I48-L101 HydrophobicContact CD1-CD1 4.22Å; L64-L101 HydrophobicContact CB-CD2 4.32Å; L64-L101 HydrophobicContact CD2-CD1 4.34Å; L64-L101 HydrophobicContact CD2-CD2 3.98Å; I66-L101 HydrophobicContact CD1-CD2 4.08Å; N79-L101 CarbonylContact O-C 3.6Å; N79-L101 VanDerWaalsContact O-CA 3.23Å; N79-L101 WeakPolarHBondContact O-CA 3.46Å; N80-L101 HydrophobicContact CB-CD2 4.08Å; L99-L101 HydrophobicContact CD1-CD1 4.26Å; L99-L101 HydrophobicContact CD1-CD2 4.48Å; L99-L101 HydrophobicContact CD1-CG 4.14Å; L99-L101 HydrophobicContact CG-CD1 4.44Å; L99-L101 HydrophobicContact CG-CG 4.35Å; L101-M104 HydrophobicContact CB-SD 4.07Å; L101-M104 HydrophobicContact CD2-SD 4.06Å; L101-L106 HydrophobicContact CB-CD1 4.19Å; L101-L106 HydrophobicContact CD1-CD1 4.42Å; L101-E124 PolarHBondContact N-O 2.71Å; L101-L125 HydrophobicContact CB-CD2 3.83Å; L101-L125 HydrophobicContact CD1-CD2 4.32Å; L101-L125 HydrophobicContact CG-CD2 4.38Å; L101-N128 PolarHBondContact O-ND2 3.33Å
102	K	93.3	Very high	94.5	Very high	54 Å²	54	31.8 Å²	31.8	24%	0.235	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-104.6	147.2	-174.5	-52.7	-177.9	179.4	-173.1	0	112.4	N79 M104 E124 C126	N79-K102 HydrophobicContact CB-CB 4.13Å; N79-K102 HydrophobicContact CB-CG 4.42Å; N79-K102 PolarHBondContact N-O 3.05Å; N79-K102 PolarHBondContact O-N 2.81Å; K102-M104 VanDerWaalsContact C-N 3.27Å; K102-M104 VanDerWaalsContact O-CG 3.29Å; K102-M104 WeakPolarHBondContact O-CG 3.37Å; K102-M104 PolarHBondContact O-N 3.5Å; K102-E124 WeakPolarHBondContact CE-OE2 3.33Å; K102-E124 IonicContact NZ-OE2 3.74Å; K102-E124 PolarHBondContact NZ-OE2 3.41Å; K102-C126 VanDerWaalsContact CA-O 3.23Å; K102-C126 WeakPolarHBondContact CA-O 3.11Å
103	T	90.7	Very high	95	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	15%	0.147	C	C	.	.	S	Bend	trans	63.5	31.7	171.2	-35.3	0	0	0	0	112.8	N75 D77 C126 R127 Y519	N75-T103 WeakPolarHBondContact ND2-CG2 3.41Å; D77-T103 HydrophobicContact CB-CG2 4.36Å; D77-T103 WeakPolarHBondContact O-CB 3.36Å; D77-T103 PolarHBondContact O-OG1 2.87Å; T103-C126 PolarHBondContact N-O 2.89Å; T103-R127 WeakPolarHBondContact CA-O 3.46Å; T103-R127 PolarHBondContact N-O 3.45Å; T103-Y519 HydrophobicContact CG2-CE1 3.69Å; T103-Y519 WeakPolarHBondContact CG2-OH 3.29Å
104	M	88.4	Confident	95.3	Very high	16 Å²	16	29.9 Å²	29.9	8%	0.079	14%	0.139	C	C	.	.	S	Bend	trans	-107.3	-0.6	-173	-60.4	-166.7	70.7	0	0	113.7	I66 I78 N80 L101 K102 L106 N128	I66-M104 HydrophobicContact CB-CE 4.22Å; I66-M104 HydrophobicContact CD1-CE 3.38Å; I66-M104 HydrophobicContact CD1-SD 3.98Å; I66-M104 HydrophobicContact CG1-CE 4.39Å; I66-M104 HydrophobicContact CG2-CE 4.23Å; I78-M104 HydrophobicContact CG2-CG 4.29Å; N80-M104 HydrophobicContact CB-SD 4.21Å; L101-M104 HydrophobicContact CB-SD 4.07Å; L101-M104 HydrophobicContact CD2-SD 4.06Å; K102-M104 VanDerWaalsContact C-N 3.27Å; K102-M104 VanDerWaalsContact O-CG 3.29Å; K102-M104 WeakPolarHBondContact O-CG 3.37Å; K102-M104 PolarHBondContact O-N 3.5Å; M104-L106 HydrophobicContact CB-CD1 4.3Å; M104-L106 HydrophobicContact CB-CD2 4.17Å; M104-L106 HydrophobicContact CB-CG 3.83Å; M104-L106 PolarHBondContact O-N 3.45Å; M104-N128 WeakPolarHBondContact CB-OD1 3.22Å; M104-N128 PolarHBondContact N-OD1 3.11Å
105	S	88.2	Confident	95.4	Very high	10 Å²	10	32.2 Å²	32.2	7%	0.07	15%	0.153	C	C	.	.			trans	54.8	31.4	-177.7	-64	0	0	0	0	114.1	R107 N128 V518	S105-R107 PolarHBondContact O-N 2.92Å; S105-N128 PolarHBondContact N-OD1 3.4Å; S105-V518 PolarHBondContact OG-N 3.46Å
106	L	93	Very high	95.4	Very high	13 Å²	13	35 Å²	35	7%	0.068	17%	0.166	C	C	.	.			trans	-62.2	132.2	178.9	-60.2	174.3	0	0	0	110.6	L46 I48 L101 M104 N128 Y129 L130	L46-L106 HydrophobicContact CB-CD1 4.32Å; L46-L106 HydrophobicContact CD2-CD1 4.43Å; I48-L106 HydrophobicContact CD1-CD2 4.25Å; I48-L106 HydrophobicContact CG1-CD2 3.53Å; L101-L106 HydrophobicContact CB-CD1 4.19Å; L101-L106 HydrophobicContact CD1-CD1 4.42Å; M104-L106 HydrophobicContact CB-CD1 4.3Å; M104-L106 HydrophobicContact CB-CD2 4.17Å; M104-L106 HydrophobicContact CB-CG 3.83Å; M104-L106 PolarHBondContact O-N 3.45Å; L106-N128 HydrophobicContact CB-CB 4.09Å; L106-N128 WeakPolarHBondContact CG-OD1 3.48Å; L106-N128 PolarHBondContact N-OD1 2.77Å; L106-N128 VanDerWaalsContact N-OD1 3.1Å; L106-Y129 CarbonylContact O-C 3.53Å; L106-Y129 WeakPolarHBondContact O-CA 3.3Å; L106-Y129 WeakPolarHBondContact O-CB 3.42Å; L106-Y129 PolarHBondContact O-N 3.09Å; L106-L130 HydrophobicContact CB-CD2 3.86Å; L106-L130 HydrophobicContact CB-CG 4.45Å; L106-L130 PolarHBondContact O-N 2.86Å
107	R	93.5	Very high	95.4	Very high	160 Å²	160	35 Å²	35	60%	0.604	17%	0.166	S	C	*	.			trans	-107.4	1.6	-171.9	-66.8	-176.4	174.9	93.5	-14.9	114.6	S105 Y129	S105-R107 PolarHBondContact O-N 2.92Å; R107-Y129 HydrophobicContact CG-CD1 4.43Å
108	G	96.1	Very high	95.3	Very high	13 Å²	13	36.6 Å²	36.6	13%	0.134	18%	0.177	C	C	.	.	S	Bend	trans	-74.8	-147.2	-178.3	0	0	0	0	0	113.7	T45 L46 L130 S131	T45-G108 VanDerWaalsContact O-CA 3.25Å; T45-G108 WeakPolarHBondContact O-CA 3.17Å; L46-G108 WeakPolarHBondContact O-CA 3.45Å; L46-G108 PolarHBondContact O-N 3.28Å; G108-L130 WeakPolarHBondContact O-CA 3.37Å; G108-S131 PolarHBondContact O-N 2.82Å; G108-S131 PolarHBondContact O-OG 2.93Å
109	K	97.8	Very high	95.2	Very high	129 Å²	129	36.3 Å²	36.3	56%	0.561	17%	0.173	S	C	*	.	B	Isolated β-bridge	trans	-117.6	166.9	175.2	-64.7	-176.6	-179.8	178.9	0	110.2	T45 P111 S131	T45-K109 HydrophobicContact CG2-CB 4.35Å; T45-K109 PolarHBondContact O-N 3.12Å; K109-P111 WeakPolarHBondContact O-CD 3.07Å; K109-S131 WeakPolarHBondContact CA-O 3.32Å
110	L	98.2	Very high	95.3	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.031	17%	0.173	C	C	.	.			trans	-64.4	120.2	166	-64.6	-175.8	0	0	0	109.2	P112 L125 L130 I134 P135 W138 V149 L154	L110-P112 VanDerWaalsContact O-CD 3.27Å; L110-P112 WeakPolarHBondContact O-CD 3.39Å; L110-L125 HydrophobicContact CD2-CD1 3.75Å; L110-L130 HydrophobicContact CD2-CD1 3.8Å; L110-I134 HydrophobicContact CD1-CG1 4.31Å; L110-P135 HydrophobicContact CB-CG 3.85Å; L110-P135 WeakPolarHBondContact O-CG 3.4Å; L110-W138 HydrophobicContact CB-CH2 3.68Å; L110-W138 HydrophobicContact CB-CZ2 3.76Å; L110-W138 HydrophobicContact CD1-CH2 3.89Å; L110-W138 HydrophobicContact CD1-CZ3 4.3Å; L110-W138 HydrophobicContact CD2-CH2 4.06Å; L110-W138 HydrophobicContact CG-CH2 4.08Å; L110-V149 HydrophobicContact CD1-CG1 4.25Å; L110-V149 HydrophobicContact CD2-CB 4.49Å; L110-V149 HydrophobicContact CD2-CG1 3.89Å; L110-L154 HydrophobicContact CD1-CD1 3.77Å; L110-L154 HydrophobicContact CD1-CD2 3.82Å; L110-L154 HydrophobicContact CD1-CG 4.47Å; L110-L154 HydrophobicContact CD2-CD2 4.38Å; L110-L154 HydrophobicContact CG-CD1 4.38Å; L110-L154 HydrophobicContact CG-CD2 3.77Å
111	P	97.8	Very high	95.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.193	C	C	.	.			trans	-79.5	113.6	-169.5	22.9	-27.3	0	0	0	113.6	I42 T45 L46 K109 E113 L114 W138	I42-P111 HydrophobicContact CG1-CB 4.47Å; I42-P111 HydrophobicContact CG2-CB 4.41Å; I42-P111 HydrophobicContact CG2-CG 3.94Å; T45-P111 HydrophobicContact CG2-CB 3.82Å; L46-P111 HydrophobicContact CD1-CG 4.47Å; L46-P111 HydrophobicContact CD2-CG 4.12Å; L46-P111 HydrophobicContact CG-CG 4.02Å; K109-P111 WeakPolarHBondContact O-CD 3.07Å; P111-E113 WeakPolarHBondContact CA-OE2 3.44Å; P111-E113 WeakPolarHBondContact CB-OE2 3.37Å; P111-E113 PolarHBondContact O-N 2.92Å; P111-E113 VanDerWaalsContact O-N 3.12Å; P111-L114 HydrophobicContact CB-CG 4.47Å; P111-L114 HydrophobicContact CG-CD1 3.81Å; P111-L114 HydrophobicContact CG-CG 3.84Å; P111-L114 PolarHBondContact O-N 2.88Å; P111-W138 PolarHBondContact O-NE1 3Å
112	P	97.8	Very high	95.5	Very high	39 Å²	39	41.6 Å²	41.6	25%	0.253	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-58	-24	171.3	-20.9	33.8	0	0	0	112.6	L110 L114 T115 P135 E137	L110-P112 VanDerWaalsContact O-CD 3.27Å; L110-P112 WeakPolarHBondContact O-CD 3.39Å; P112-L114 PolarHBondContact O-N 3.06Å; P112-L114 VanDerWaalsContact O-N 3.13Å; P112-T115 WeakPolarHBondContact O-CG2 3.46Å; P112-T115 PolarHBondContact O-N 2.76Å; P112-T115 PolarHBondContact O-OG1 2.99Å; P112-P135 HydrophobicContact CB-CB 4.3Å; P112-P135 HydrophobicContact CG-CB 4.14Å; P112-P135 HydrophobicContact CG-CG 4.27Å; P112-E137 HydrophobicContact CB-CB 4.24Å; P112-E137 HydrophobicContact CB-CG 4.12Å
113	E	97.6	Very high	95.7	Very high	48 Å²	48	39 Å²	39	22%	0.224	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-64.4	-12	178.9	-57.8	76.5	-157.7	0	0	113.6	E41 I42 T45 P111 T115 K116	E41-E113 HydrophobicContact CB-CB 4.42Å; E41-E113 HydrophobicContact CB-CG 4.22Å; I42-E113 HydrophobicContact CG1-CB 4.02Å; T45-E113 PolarHBondContact OG1-OE2 2.75Å; T45-E113 VanDerWaalsContact OG1-OE2 3.12Å; P111-E113 WeakPolarHBondContact CA-OE2 3.44Å; P111-E113 WeakPolarHBondContact CB-OE2 3.37Å; P111-E113 PolarHBondContact O-N 2.92Å; P111-E113 VanDerWaalsContact O-N 3.12Å; E113-T115 PolarHBondContact O-N 3.46Å; E113-T115 VanDerWaalsContact O-N 3.08Å; E113-K116 VanDerWaalsContact O-CB 3.24Å; E113-K116 WeakPolarHBondContact O-CB 3.37Å; E113-K116 PolarHBondContact O-N 3.48Å
114	L	97.5	Very high	96.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-57.7	-21.5	170.6	-73.5	169.2	0	0	0	113.1	I42 L99 P111 P112 K116 L117 L120 I123 W138 M141	I42-L114 HydrophobicContact CD1-CD2 3.68Å; I42-L114 HydrophobicContact CD1-CG 4.37Å; I42-L114 HydrophobicContact CG1-CD2 4.09Å; I42-L114 HydrophobicContact CG1-CG 4.38Å; I42-L114 HydrophobicContact CG2-CD2 4.09Å; L99-L114 HydrophobicContact CD2-CD2 3.59Å; P111-L114 HydrophobicContact CB-CG 4.47Å; P111-L114 HydrophobicContact CG-CD1 3.81Å; P111-L114 HydrophobicContact CG-CG 3.84Å; P111-L114 PolarHBondContact O-N 2.88Å; P112-L114 PolarHBondContact O-N 3.06Å; P112-L114 VanDerWaalsContact O-N 3.13Å; L114-K116 PolarHBondContact O-N 2.84Å; L114-K116 VanDerWaalsContact O-N 3.16Å; L114-L117 HydrophobicContact CD2-CD1 4Å; L114-L117 WeakPolarHBondContact O-CB 3.38Å; L114-L117 PolarHBondContact O-N 3.31Å; L114-L120 HydrophobicContact CD2-CD2 4Å; L114-I123 HydrophobicContact CD1-CD1 3.88Å; L114-I123 HydrophobicContact CD1-CG1 4.26Å; L114-I123 HydrophobicContact CD1-CG2 4.35Å; L114-W138 HydrophobicContact CD1-CH2 4.25Å; L114-W138 HydrophobicContact CD1-CZ2 3.56Å; L114-M141 HydrophobicContact CB-CE 4.42Å; L114-M141 HydrophobicContact CB-SD 4.34Å; L114-M141 VanDerWaalsContact O-CE 3.28Å; L114-M141 WeakPolarHBondContact O-CE 3.44Å
115	T	96.5	Very high	96.5	Very high	49 Å²	49	39.5 Å²	39.5	30%	0.301	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-59.2	-20.6	170.3	52.8	0	0	0	0	114	P112 E113 L117 E137 M141	P112-T115 WeakPolarHBondContact O-CG2 3.46Å; P112-T115 PolarHBondContact O-N 2.76Å; P112-T115 PolarHBondContact O-OG1 2.99Å; E113-T115 PolarHBondContact O-N 3.46Å; E113-T115 VanDerWaalsContact O-N 3.08Å; T115-L117 PolarHBondContact O-N 3.13Å; T115-E137 VanDerWaalsContact CG2-C 3.44Å; T115-E137 HydrophobicContact CG2-CB 3.86Å; T115-E137 WeakPolarHBondContact CG2-O 3.46Å; T115-M141 HydrophobicContact CG2-CG 4.1Å; T115-M141 HydrophobicContact CG2-SD 4.27Å
116	K	97.2	Very high	96.9	Very high	98 Å²	98	39.3 Å²	39.3	43%	0.426	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-76.8	-2.9	172.8	-61.8	178.8	170.9	178.9	0	113.3	A38 E41 E113 L114 P118	A38-K116 HydrophobicContact CB-CB 3.57Å; A38-K116 HydrophobicContact CB-CD 4.25Å; E41-K116 IonicContact OE1-NZ 2.72Å; E41-K116 PolarHBondContact OE1-NZ 2.91Å; E41-K116 IonicContact OE2-NZ 3.5Å; E41-K116 PolarHBondContact OE2-NZ 2.92Å; E113-K116 VanDerWaalsContact O-CB 3.24Å; E113-K116 WeakPolarHBondContact O-CB 3.37Å; E113-K116 PolarHBondContact O-N 3.48Å; L114-K116 PolarHBondContact O-N 2.84Å; L114-K116 VanDerWaalsContact O-N 3.16Å; K116-P118 VanDerWaalsContact C-CD 3.48Å; K116-P118 WeakPolarHBondContact O-CD 3.4Å
117	L	96.6	Very high	96.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.193	C	C	.	.			trans	-106.4	79	170.4	-55.6	-175.6	0	0	0	109.1	E35 A38 I42 I96 L114 T115 Y119 L120	E35-L117 HydrophobicContact CB-CD2 3.68Å; E35-L117 HydrophobicContact CG-CD2 3.74Å; A38-L117 HydrophobicContact CB-CD2 3.9Å; I42-L117 HydrophobicContact CD1-CD1 3.7Å; I42-L117 HydrophobicContact CD1-CD2 4.45Å; I42-L117 HydrophobicContact CD1-CG 3.9Å; I96-L117 HydrophobicContact CB-CD1 4.48Å; I96-L117 HydrophobicContact CD1-CD1 4.24Å; I96-L117 HydrophobicContact CD1-CD2 4.05Å; I96-L117 HydrophobicContact CG2-CD1 4.32Å; L114-L117 HydrophobicContact CD2-CD1 4Å; L114-L117 WeakPolarHBondContact O-CB 3.38Å; L114-L117 PolarHBondContact O-N 3.31Å; T115-L117 PolarHBondContact O-N 3.13Å; L117-Y119 PolarHBondContact O-N 3.49Å; L117-Y119 VanDerWaalsContact O-N 3.12Å; L117-L120 HydrophobicContact CB-CB 4.1Å; L117-L120 HydrophobicContact CD1-CD1 4.47Å; L117-L120 HydrophobicContact CD1-CD2 4.49Å; L117-L120 WeakPolarHBondContact O-CB 3.37Å; L117-L120 PolarHBondContact O-N 3.19Å; L117-L120 VanDerWaalsContact O-N 3.15Å
118	P	94.4	Very high	97	Very high	58 Å²	58	33.2 Å²	33.2	38%	0.377	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-21.4	-164.7	24.4	-34	0	0	0	114.4	K116 Y143	K116-P118 VanDerWaalsContact C-CD 3.48Å; K116-P118 WeakPolarHBondContact O-CD 3.4Å; P118-Y143 WeakPolarHBondContact O-CD2 3.37Å
119	Y	96.5	Very high	96.9	Very high	66 Å²	66	36 Å²	36	26%	0.259	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	5.6	-179	-63.9	-86	0	0	0	113.8	F88 R95 I96 L117 K121 Y143	F88-Y119 HydrophobicContact CE1-CD1 4.21Å; F88-Y119 AromaticContact CE1-CE1 3.61Å; F88-Y119 HydrophobicContact CE1-CE1 3.61Å; F88-Y119 HydrophobicContact CE1-CE2 4.38Å; F88-Y119 AromaticContact CE1-CZ 3.71Å; F88-Y119 AromaticContact CZ-CD1 3.77Å; F88-Y119 HydrophobicContact CZ-CD1 3.77Å; F88-Y119 AromaticContact CZ-CE1 3.67Å; F88-Y119 HydrophobicContact CZ-CE1 3.67Å; F88-Y119 HydrophobicContact CZ-CG 4.24Å; R95-Y119 HydrophobicContact CB-CD2 3.86Å; R95-Y119 HydrophobicContact CB-CG 4.07Å; R95-Y119 HydrophobicContact CG-CD2 3.71Å; R95-Y119 HydrophobicContact CG-CE2 3.97Å; R95-Y119 HydrophobicContact CG-CG 4.28Å; I96-Y119 CarbonylContact O-C 3.31Å; I96-Y119 VanDerWaalsContact O-C 3.31Å; L117-Y119 PolarHBondContact O-N 3.49Å; L117-Y119 VanDerWaalsContact O-N 3.12Å; Y119-K121 PolarHBondContact O-N 3.16Å; Y119-Y143 HydrophobicContact CD1-CD2 4.13Å; Y119-Y143 AromaticContact CD1-CE2 3.77Å; Y119-Y143 HydrophobicContact CD1-CE2 3.77Å; Y119-Y143 AromaticContact CE1-CE2 3.99Å; Y119-Y143 HydrophobicContact CE1-CE2 3.99Å
120	L	97.9	Very high	97	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.144	C	C	.	.			trans	-65.8	124.6	-177.8	-166.8	74.3	0	0	0	110.9	I96 L99 L114 L117 I123 M141 Y143 L144	I96-L120 HydrophobicContact CG2-CD1 3.74Å; I96-L120 PolarHBondContact O-N 2.95Å; L99-L120 HydrophobicContact CB-CD1 4.03Å; L114-L120 HydrophobicContact CD2-CD2 4Å; L117-L120 HydrophobicContact CB-CB 4.1Å; L117-L120 HydrophobicContact CD1-CD1 4.47Å; L117-L120 HydrophobicContact CD1-CD2 4.49Å; L117-L120 WeakPolarHBondContact O-CB 3.37Å; L117-L120 PolarHBondContact O-N 3.19Å; L117-L120 VanDerWaalsContact O-N 3.15Å; L120-I123 HydrophobicContact CD2-CD1 4.1Å; L120-I123 HydrophobicContact CD2-CG1 3.56Å; L120-I123 HydrophobicContact CG-CG1 4.41Å; L120-M141 HydrophobicContact CB-CE 3.58Å; L120-M141 HydrophobicContact CD2-CE 3.73Å; L120-M141 HydrophobicContact CG-CE 4.21Å; L120-Y143 CarbonylContact O-C 3.58Å; L120-L144 WeakPolarHBondContact O-CA 3.42Å; L120-L144 PolarHBondContact O-N 3.38Å
121	K	98.2	Very high	96.9	Very high	95 Å²	95	31.5 Å²	31.5	41%	0.413	16%	0.156	S	C	.	.			trans	-102	-34.2	-179.4	-62.4	176.4	-176.9	171.9	0	113	T97 Y119 Y143 T145 S146	T97-K121 WeakPolarHBondContact O-CA 3.16Å; T97-K121 WeakPolarHBondContact O-CB 3.39Å; T97-K121 PolarHBondContact O-N 2.98Å; Y119-K121 PolarHBondContact O-N 3.16Å; K121-Y143 WeakPolarHBondContact CA-O 3.29Å; K121-T145 PolarHBondContact O-N 3.49Å; K121-T145 PolarHBondContact O-OG1 3.44Å; K121-T145 VanDerWaalsContact O-OG1 3.08Å; K121-S146 PolarHBondContact O-N 2.82Å; K121-S146 VanDerWaalsContact O-N 3.07Å
122	S	98.4	Very high	96.9	Very high	18 Å²	18	33 Å²	33	13%	0.126	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	129.9	-173.1	-172.1	0	0	0	0	112.1	T97 L99	T97-S122 PolarHBondContact O-N 3.4Å; L99-S122 PolarHBondContact N-O 2.87Å; L99-S122 VanDerWaalsContact N-O 3.09Å
123	I	98.2	Very high	96.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	118.6	174	-62.5	167	0	0	0	108.5	L114 L120 L125 W138 L144 S146 S148	L114-I123 HydrophobicContact CD1-CD1 3.88Å; L114-I123 HydrophobicContact CD1-CG1 4.26Å; L114-I123 HydrophobicContact CD1-CG2 4.35Å; L120-I123 HydrophobicContact CD2-CD1 4.1Å; L120-I123 HydrophobicContact CD2-CG1 3.56Å; L120-I123 HydrophobicContact CG-CG1 4.41Å; I123-L125 HydrophobicContact CG2-CD1 3.8Å; I123-L125 HydrophobicContact CG2-CG 3.84Å; I123-W138 HydrophobicContact CD1-CD2 4.21Å; I123-W138 HydrophobicContact CD1-CE3 4.02Å; I123-W138 HydrophobicContact CD1-CH2 4.45Å; I123-W138 HydrophobicContact CD1-CZ3 4.14Å; I123-L144 HydrophobicContact CD1-CD1 3.67Å; I123-L144 HydrophobicContact CD1-CD2 3.96Å; I123-L144 HydrophobicContact CD1-CG 4.5Å; I123-L144 HydrophobicContact CG1-CD1 3.83Å; I123-S146 PolarHBondContact N-O 2.86Å; I123-S148 PolarHBondContact O-N 2.8Å
124	E	97.5	Very high	96.9	Very high	26 Å²	26	31.7 Å²	31.7	12%	0.121	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	87.5	-172.7	-76.5	-71.6	167.8	0	0	110.6	L99 A100 L101 K102 S148	L99-E124 PolarHBondContact O-N 2.76Å; A100-E124 CarbonylContact C-O 3.57Å; A100-E124 WeakPolarHBondContact CA-O 3.48Å; A100-E124 HydrophobicContact CB-CB 3.8Å; L101-E124 PolarHBondContact N-O 2.71Å; K102-E124 WeakPolarHBondContact CE-OE2 3.33Å; K102-E124 IonicContact NZ-OE2 3.74Å; K102-E124 PolarHBondContact NZ-OE2 3.41Å; E124-S148 WeakPolarHBondContact OE1-CB 3.45Å; E124-S148 WeakPolarHBondContact OE2-CB 3.4Å; E124-S148 PolarHBondContact OE2-OG 2.98Å
125	L	97.6	Very high	96.8	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.17	C	C	.	.			trans	-115	24	-173.8	-59.7	175.6	0	0	0	112.8	L46 L101 L110 I123 N128 L130 S148 V149 N152	L46-L125 HydrophobicContact CD2-CD1 4.27Å; L46-L125 HydrophobicContact CD2-CD2 4.4Å; L101-L125 HydrophobicContact CB-CD2 3.83Å; L101-L125 HydrophobicContact CD1-CD2 4.32Å; L101-L125 HydrophobicContact CG-CD2 4.38Å; L110-L125 HydrophobicContact CD2-CD1 3.75Å; I123-L125 HydrophobicContact CG2-CD1 3.8Å; I123-L125 HydrophobicContact CG2-CG 3.84Å; L125-N128 PolarHBondContact O-ND2 2.93Å; L125-L130 HydrophobicContact CB-CD1 4.07Å; L125-L130 HydrophobicContact CD1-CD1 4.14Å; L125-S148 PolarHBondContact N-O 2.88Å; L125-V149 HydrophobicContact CB-CG1 4.35Å; L125-N152 PolarHBondContact O-ND2 3.11Å
126	C	95.8	Very high	96.8	Very high	6 Å²	6	33 Å²	33	4%	0.041	17%	0.171	C	C	.	.			trans	-61.4	149	-178.4	-80.8	0	0	0	0	113.6	K102 T103 S148 C150	K102-C126 VanDerWaalsContact CA-O 3.23Å; K102-C126 WeakPolarHBondContact CA-O 3.11Å; T103-C126 PolarHBondContact N-O 2.89Å; C126-S148 PolarHBondContact SG-OG 2.81Å; C126-C150 CarbonylContact C-O 3.58Å; C126-C150 WeakPolarHBondContact CA-O 3.18Å; C126-C150 HydrophobicContact CB-CB 4.36Å; C126-C150 WeakPolarHBondContact CB-SG 3.26Å; C126-C150 WeakPolarHBondContact SG-CB 3.41Å; C126-C150 PolarHBondContact SG-N 2.83Å; C126-C150 CovalentContact SG-SG 2.04Å; C126-C150 PolarHBondContact SG-SG 3.49Å
127	R	94.5	Very high	96.8	Very high	46 Å²	46	32.5 Å²	32.5	17%	0.174	17%	0.17	C	C	.	.	S	Bend	trans	60.5	56.5	176.4	-61.9	179.7	-175.1	120.6	4.3	112.7	T103 C150 A151 Y519 L579 P581	T103-R127 WeakPolarHBondContact CA-O 3.46Å; T103-R127 PolarHBondContact N-O 3.45Å; R127-C150 PolarHBondContact N-O 2.71Å; R127-A151 VanDerWaalsContact CA-O 3.25Å; R127-A151 WeakPolarHBondContact CA-O 3.24Å; R127-A151 HydrophobicContact CB-CB 4.47Å; R127-A151 HydrophobicContact CG-CB 3.84Å; R127-A151 PolarHBondContact N-O 3.38Å; R127-Y519 HydrophobicContact CB-CD2 3.64Å; R127-Y519 HydrophobicContact CB-CE2 3.74Å; R127-Y519 HydrophobicContact CB-CG 4.09Å; R127-Y519 HydrophobicContact CG-CD2 4.07Å; R127-Y519 HydrophobicContact CG-CE2 3.93Å; R127-L579 PolarHBondContact NE-O 3.38Å; R127-L579 PolarHBondContact NH2-O 3Å; R127-P581 WeakPolarHBondContact CD-O 3.37Å; R127-P581 PolarHBondContact NE-O 2.72Å
128	N	94.9	Very high	96.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-127.2	-169.5	169.7	-72.1	-66	0	0	0	109.2	L101 M104 S105 L106 L125 L130 A151 N152 Y519	L101-N128 PolarHBondContact O-ND2 3.33Å; M104-N128 WeakPolarHBondContact CB-OD1 3.22Å; M104-N128 PolarHBondContact N-OD1 3.11Å; S105-N128 PolarHBondContact N-OD1 3.4Å; L106-N128 HydrophobicContact CB-CB 4.09Å; L106-N128 WeakPolarHBondContact CG-OD1 3.48Å; L106-N128 PolarHBondContact N-OD1 2.77Å; L106-N128 VanDerWaalsContact N-OD1 3.1Å; L125-N128 PolarHBondContact O-ND2 2.93Å; N128-L130 HydrophobicContact CB-CD1 4.19Å; N128-L130 HydrophobicContact CB-CG 3.92Å; N128-A151 PolarHBondContact N-O 3.28Å; N128-A151 VanDerWaalsContact N-O 3.13Å; N128-N152 WeakPolarHBondContact CA-OD1 3.28Å; N128-N152 WeakPolarHBondContact CB-OD1 3.18Å; N128-N152 PolarHBondContact O-OD1 3.02Å; N128-Y519 WeakPolarHBondContact O-CB 3.35Å
129	Y	94.9	Very high	96.8	Very high	71 Å²	71	31 Å²	31	28%	0.278	16%	0.162	S	C	.	.			trans	-120.3	33.6	176.3	-153.3	-102.4	0	0	0	110.6	L106 R107 N152 V518 L522	L106-Y129 CarbonylContact O-C 3.53Å; L106-Y129 WeakPolarHBondContact O-CA 3.3Å; L106-Y129 WeakPolarHBondContact O-CB 3.42Å; L106-Y129 PolarHBondContact O-N 3.09Å; R107-Y129 HydrophobicContact CG-CD1 4.43Å; Y129-N152 PolarHBondContact N-OD1 2.62Å; Y129-V518 HydrophobicContact CD1-CG1 4.12Å; Y129-V518 HydrophobicContact CD2-CG1 3.8Å; Y129-V518 WeakPolarHBondContact CD2-O 3.36Å; Y129-V518 HydrophobicContact CE1-CG1 4.49Å; Y129-V518 HydrophobicContact CE2-CG1 4.18Å; Y129-V518 HydrophobicContact CG-CG1 3.75Å; Y129-L522 HydrophobicContact CD2-CD1 3.76Å; Y129-L522 HydrophobicContact CD2-CD2 4.1Å; Y129-L522 HydrophobicContact CD2-CG 3.83Å; Y129-L522 HydrophobicContact CE2-CD1 4.07Å; Y129-L522 HydrophobicContact CE2-CD2 3.53Å; Y129-L522 HydrophobicContact CE2-CG 3.63Å
130	L	98	Very high	96.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.186	C	C	.	.			trans	-68.7	144.4	-176.3	-59.7	170.2	0	0	0	110.2	L46 L106 G108 L110 L125 N128 N152 N153 L154	L46-L130 HydrophobicContact CD2-CD1 3.95Å; L46-L130 HydrophobicContact CD2-CD2 3.86Å; L106-L130 HydrophobicContact CB-CD2 3.86Å; L106-L130 HydrophobicContact CB-CG 4.45Å; L106-L130 PolarHBondContact O-N 2.86Å; G108-L130 WeakPolarHBondContact O-CA 3.37Å; L110-L130 HydrophobicContact CD2-CD1 3.8Å; L125-L130 HydrophobicContact CB-CD1 4.07Å; L125-L130 HydrophobicContact CD1-CD1 4.14Å; N128-L130 HydrophobicContact CB-CD1 4.19Å; N128-L130 HydrophobicContact CB-CG 3.92Å; L130-N152 VanDerWaalsContact CB-OD1 3.29Å; L130-N152 WeakPolarHBondContact CB-OD1 3.5Å; L130-N152 WeakPolarHBondContact CG-OD1 3.35Å; L130-N152 PolarHBondContact N-OD1 2.84Å; L130-N153 CarbonylContact O-C 3.56Å; L130-N153 VanDerWaalsContact O-CA 3.26Å; L130-N153 WeakPolarHBondContact O-CA 3.39Å; L130-N153 WeakPolarHBondContact O-CB 3.35Å; L130-N153 PolarHBondContact O-N 3.4Å; L130-L154 HydrophobicContact CB-CD2 4.4Å; L130-L154 PolarHBondContact O-N 3.1Å
131	S	97.7	Very high	96.6	Very high	40 Å²	40	36.8 Å²	36.8	28%	0.28	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	169	-178	63.4	0	0	0	0	112.2	G108 K109	G108-S131 PolarHBondContact O-N 2.82Å; G108-S131 PolarHBondContact O-OG 2.93Å; K109-S131 WeakPolarHBondContact CA-O 3.32Å
132	G	97.6	Very high	96.4	Very high	32 Å²	32	35.2 Å²	35.2	33%	0.33	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	94.2	-148.7	-176.7	0	0	0	0	0	112.5	L154 S155	G132-L154 CarbonylContact O-C 3.44Å; G132-L154 VanDerWaalsContact O-CA 3.27Å; G132-L154 WeakPolarHBondContact O-CA 3.3Å; G132-S155 PolarHBondContact O-N 3.18Å
133	T	96.8	Very high	96.3	Very high	58 Å²	58	40 Å²	40	36%	0.356	21%	0.21	S	C	.	.			trans	-136.1	176.3	-179.9	-169.5	0	0	0	0	109.8	P135	T133-P135 VanDerWaalsContact O-CD 3.31Å; T133-P135 WeakPolarHBondContact O-CD 3.3Å
134	I	97.6	Very high	96.3	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	21%	0.211	C	C	.	.			trans	-64.3	121.2	177.1	-59.7	174.4	0	0	0	109.2	L110 M136 W138 L158 P159 L162 F165 L171 V173 F178	L110-I134 HydrophobicContact CD1-CG1 4.31Å; I134-M136 HydrophobicContact CB-CE 4.24Å; I134-M136 HydrophobicContact CG2-CE 3.98Å; I134-M136 WeakPolarHBondContact O-CE 3.45Å; I134-M136 PolarHBondContact O-N 2.89Å; I134-W138 HydrophobicContact CG2-CE3 3.92Å; I134-W138 HydrophobicContact CG2-CZ3 4.14Å; I134-L158 HydrophobicContact CD1-CD1 4.37Å; I134-P159 HydrophobicContact CB-CG 4.38Å; I134-L162 HydrophobicContact CD1-CD2 4.42Å; I134-F165 HydrophobicContact CG2-CZ 4.19Å; I134-L171 HydrophobicContact CD1-CD1 4.1Å; I134-V173 HydrophobicContact CD1-CG1 4.01Å; I134-F178 HydrophobicContact CG1-CZ 4.42Å
135	P	97.1	Very high	96.4	Very high	13 Å²	13	41.3 Å²	41.3	8%	0.084	22%	0.22	C	C	.	.			trans	-64.9	129.4	175.8	-21.8	34.4	0	0	0	111.6	L110 P112 T133 E137 W138	L110-P135 HydrophobicContact CB-CG 3.85Å; L110-P135 WeakPolarHBondContact O-CG 3.4Å; P112-P135 HydrophobicContact CB-CB 4.3Å; P112-P135 HydrophobicContact CG-CB 4.14Å; P112-P135 HydrophobicContact CG-CG 4.27Å; T133-P135 VanDerWaalsContact O-CD 3.31Å; T133-P135 WeakPolarHBondContact O-CD 3.3Å; P135-E137 VanDerWaalsContact CB-OE2 3.31Å; P135-E137 WeakPolarHBondContact CB-OE2 3.32Å; P135-E137 PolarHBondContact O-N 3.04Å; P135-W138 HydrophobicContact CB-CD2 4.27Å; P135-W138 HydrophobicContact CB-CG 4.3Å; P135-W138 HydrophobicContact CG-CD2 4.22Å; P135-W138 HydrophobicContact CG-CH2 4.41Å; P135-W138 HydrophobicContact CG-CZ2 3.76Å; P135-W138 PolarHBondContact O-N 2.9Å
136	M	96.4	Very high	96.4	Very high	63 Å²	63	42 Å²	42	31%	0.31	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-75	-16.1	178.5	-68.2	-60.9	94.1	0	0	112.6	I134 W138 A139 P159 L162 F165	I134-M136 HydrophobicContact CB-CE 4.24Å; I134-M136 HydrophobicContact CG2-CE 3.98Å; I134-M136 WeakPolarHBondContact O-CE 3.45Å; I134-M136 PolarHBondContact O-N 2.89Å; M136-W138 PolarHBondContact O-N 3.35Å; M136-A139 WeakPolarHBondContact O-CB 3.03Å; M136-A139 PolarHBondContact O-N 3.47Å; M136-P159 HydrophobicContact CE-CB 3.42Å; M136-P159 VanDerWaalsContact CE-CB 3.42Å; M136-P159 HydrophobicContact CE-CG 3.66Å; M136-P159 HydrophobicContact CG-CB 4.47Å; M136-P159 HydrophobicContact SD-CB 3.68Å; M136-L162 HydrophobicContact CE-CD2 4.27Å; M136-F165 HydrophobicContact CE-CE2 3.79Å; M136-F165 HydrophobicContact CE-CZ 4.16Å; M136-F165 HydrophobicContact SD-CE2 4.14Å
137	E	96.5	Very high	96.5	Very high	87 Å²	87	41.8 Å²	41.8	41%	0.407	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-55.5	-35.9	171.6	-66.2	81.9	175.8	0	0	111.4	P112 T115 P135 A139 K140	P112-E137 HydrophobicContact CB-CB 4.24Å; P112-E137 HydrophobicContact CB-CG 4.12Å; T115-E137 VanDerWaalsContact CG2-C 3.44Å; T115-E137 HydrophobicContact CG2-CB 3.86Å; T115-E137 WeakPolarHBondContact CG2-O 3.46Å; P135-E137 VanDerWaalsContact CB-OE2 3.31Å; P135-E137 WeakPolarHBondContact CB-OE2 3.32Å; P135-E137 PolarHBondContact O-N 3.04Å; E137-A139 PolarHBondContact O-N 3.44Å; E137-A139 VanDerWaalsContact O-N 3.13Å; E137-K140 WeakPolarHBondContact O-CB 3.37Å; E137-K140 WeakPolarHBondContact O-CG 3.48Å; E137-K140 PolarHBondContact O-N 2.92Å
138	W	97	Very high	96.7	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-61.4	-20.7	178.4	-61.7	-7.3	0	0	0	113.3	L110 P111 L114 I123 I134 P135 M136 K140 M141 L144 I147 F165	L110-W138 HydrophobicContact CB-CH2 3.68Å; L110-W138 HydrophobicContact CB-CZ2 3.76Å; L110-W138 HydrophobicContact CD1-CH2 3.89Å; L110-W138 HydrophobicContact CD1-CZ3 4.3Å; L110-W138 HydrophobicContact CD2-CH2 4.06Å; L110-W138 HydrophobicContact CG-CH2 4.08Å; P111-W138 PolarHBondContact O-NE1 3Å; L114-W138 HydrophobicContact CD1-CH2 4.25Å; L114-W138 HydrophobicContact CD1-CZ2 3.56Å; I123-W138 HydrophobicContact CD1-CD2 4.21Å; I123-W138 HydrophobicContact CD1-CE3 4.02Å; I123-W138 HydrophobicContact CD1-CH2 4.45Å; I123-W138 HydrophobicContact CD1-CZ3 4.14Å; I134-W138 HydrophobicContact CG2-CE3 3.92Å; I134-W138 HydrophobicContact CG2-CZ3 4.14Å; P135-W138 HydrophobicContact CB-CD2 4.27Å; P135-W138 HydrophobicContact CB-CG 4.3Å; P135-W138 HydrophobicContact CG-CD2 4.22Å; P135-W138 HydrophobicContact CG-CH2 4.41Å; P135-W138 HydrophobicContact CG-CZ2 3.76Å; P135-W138 PolarHBondContact O-N 2.9Å; M136-W138 PolarHBondContact O-N 3.35Å; W138-K140 PolarHBondContact O-N 3.08Å; W138-K140 VanDerWaalsContact O-N 3.13Å; W138-M141 HydrophobicContact CB-SD 4.04Å; W138-M141 HydrophobicContact CG-SD 4.23Å; W138-M141 VanDerWaalsContact O-CB 3.26Å; W138-M141 WeakPolarHBondContact O-CB 3.13Å; W138-M141 WeakPolarHBondContact O-CG 3.29Å; W138-M141 PolarHBondContact O-N 3.25Å; W138-L144 HydrophobicContact CB-CD2 4.18Å; W138-I147 HydrophobicContact CE3-CD1 4.31Å; W138-I147 HydrophobicContact CZ3-CG2 4.28Å; W138-F165 HydrophobicContact CB-CE1 3.5Å; W138-F165 HydrophobicContact CB-CZ 3.81Å
139	A	94.5	Very high	96.9	Very high	26 Å²	26	40 Å²	40	22%	0.215	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-63.2	-17.6	174.9	0	0	0	0	0	113.1	M136 E137 M141 N164 F165	M136-A139 WeakPolarHBondContact O-CB 3.03Å; M136-A139 PolarHBondContact O-N 3.47Å; E137-A139 PolarHBondContact O-N 3.44Å; E137-A139 VanDerWaalsContact O-N 3.13Å; A139-M141 VanDerWaalsContact C-N 3.25Å; A139-M141 PolarHBondContact O-N 2.83Å; A139-N164 HydrophobicContact CB-CB 3.62Å; A139-F165 HydrophobicContact CB-CD1 4.49Å; A139-F165 HydrophobicContact CB-CD2 3.8Å; A139-F165 HydrophobicContact CB-CE1 4.43Å; A139-F165 HydrophobicContact CB-CE2 3.72Å; A139-F165 HydrophobicContact CB-CG 4.21Å; A139-F165 HydrophobicContact CB-CZ 4.06Å
140	K	93.7	Very high	97	Very high	176 Å²	176	37.2 Å²	37.2	77%	0.765	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-75.9	-11.8	174.6	-62.3	177.1	-179	174.6	0	113.1	E137 W138 A142	E137-K140 WeakPolarHBondContact O-CB 3.37Å; E137-K140 WeakPolarHBondContact O-CG 3.48Å; E137-K140 PolarHBondContact O-N 2.92Å; W138-K140 PolarHBondContact O-N 3.08Å; W138-K140 VanDerWaalsContact O-N 3.13Å; K140-A142 PolarHBondContact O-N 2.94Å
141	M	95.6	Very high	96.9	Very high	13 Å²	13	37.2 Å²	37.2	6%	0.064	21%	0.209	C	C	.	.			trans	-81.1	102.5	-174.4	-59.9	174	66.9	0	0	110.2	L114 T115 L120 W138 A139 Y143 L144	L114-M141 HydrophobicContact CB-CE 4.42Å; L114-M141 HydrophobicContact CB-SD 4.34Å; L114-M141 VanDerWaalsContact O-CE 3.28Å; L114-M141 WeakPolarHBondContact O-CE 3.44Å; T115-M141 HydrophobicContact CG2-CG 4.1Å; T115-M141 HydrophobicContact CG2-SD 4.27Å; L120-M141 HydrophobicContact CB-CE 3.58Å; L120-M141 HydrophobicContact CD2-CE 3.73Å; L120-M141 HydrophobicContact CG-CE 4.21Å; W138-M141 HydrophobicContact CB-SD 4.04Å; W138-M141 HydrophobicContact CG-SD 4.23Å; W138-M141 VanDerWaalsContact O-CB 3.26Å; W138-M141 WeakPolarHBondContact O-CB 3.13Å; W138-M141 WeakPolarHBondContact O-CG 3.29Å; W138-M141 PolarHBondContact O-N 3.25Å; A139-M141 VanDerWaalsContact C-N 3.25Å; A139-M141 PolarHBondContact O-N 2.83Å; M141-Y143 PolarHBondContact O-N 3.44Å; M141-L144 HydrophobicContact CB-CB 3.84Å; M141-L144 HydrophobicContact CB-CD2 4.4Å; M141-L144 PolarHBondContact O-N 3.31Å; M141-L144 HydrophobicContact SD-CD2 4.2Å
142	A	94.5	Very high	96.9	Very high	62 Å²	62	35.4 Å²	35.4	51%	0.512	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.6	-171.5	0	0	0	0	0	114.4	K140 N167	K140-A142 PolarHBondContact O-N 2.94Å; A142-N167 PolarHBondContact O-ND2 2.61Å
143	Y	96.8	Very high	96.9	Very high	117 Å²	117	36.1 Å²	36.1	46%	0.459	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-2.7	-177.4	-63.7	-82.2	0	0	0	114	P118 Y119 L120 K121 M141 T145	P118-Y143 WeakPolarHBondContact O-CD2 3.37Å; Y119-Y143 HydrophobicContact CD1-CD2 4.13Å; Y119-Y143 AromaticContact CD1-CE2 3.77Å; Y119-Y143 HydrophobicContact CD1-CE2 3.77Å; Y119-Y143 AromaticContact CE1-CE2 3.99Å; Y119-Y143 HydrophobicContact CE1-CE2 3.99Å; L120-Y143 CarbonylContact O-C 3.58Å; K121-Y143 WeakPolarHBondContact CA-O 3.29Å; M141-Y143 PolarHBondContact O-N 3.44Å; Y143-T145 PolarHBondContact O-N 3.17Å
144	L	98	Very high	97	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.026	18%	0.176	C	C	.	.			trans	-70.3	119.8	-175.1	-175	62.6	0	0	0	110.8	L120 I123 W138 M141 I147 F165 N167	L120-L144 WeakPolarHBondContact O-CA 3.42Å; L120-L144 PolarHBondContact O-N 3.38Å; I123-L144 HydrophobicContact CD1-CD1 3.67Å; I123-L144 HydrophobicContact CD1-CD2 3.96Å; I123-L144 HydrophobicContact CD1-CG 4.5Å; I123-L144 HydrophobicContact CG1-CD1 3.83Å; W138-L144 HydrophobicContact CB-CD2 4.18Å; M141-L144 HydrophobicContact CB-CB 3.84Å; M141-L144 HydrophobicContact CB-CD2 4.4Å; M141-L144 PolarHBondContact O-N 3.31Å; M141-L144 HydrophobicContact SD-CD2 4.2Å; L144-I147 HydrophobicContact CD1-CG1 4.33Å; L144-I147 HydrophobicContact CD2-CD1 3.91Å; L144-I147 HydrophobicContact CD2-CG1 4.03Å; L144-I147 HydrophobicContact CG-CG1 4.26Å; L144-F165 HydrophobicContact CD2-CD1 4.16Å; L144-F165 HydrophobicContact CD2-CE1 4.09Å; L144-N167 CarbonylContact O-C 3.41Å
145	T	98.2	Very high	97	Very high	49 Å²	49	36 Å²	36	30%	0.301	19%	0.194	S	C	.	.			trans	-124	-22.4	-175.3	56.2	0	0	0	0	113.5	K121 Y143 N167 T169 F170	K121-T145 PolarHBondContact O-N 3.49Å; K121-T145 PolarHBondContact O-OG1 3.44Å; K121-T145 VanDerWaalsContact O-OG1 3.08Å; Y143-T145 PolarHBondContact O-N 3.17Å; T145-N167 WeakPolarHBondContact CG2-O 3.21Å; T145-T169 PolarHBondContact O-N 2.93Å; T145-T169 PolarHBondContact O-OG1 2.77Å; T145-F170 PolarHBondContact O-N 3.39Å; T145-F170 VanDerWaalsContact O-N 3.14Å
146	S	98.6	Very high	97	Very high	17 Å²	17	37 Å²	37	12%	0.119	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	127.3	-179.5	-175.2	0	0	0	0	111.4	K121 I123	K121-S146 PolarHBondContact O-N 2.82Å; K121-S146 VanDerWaalsContact O-N 3.07Å; I123-S146 PolarHBondContact N-O 2.86Å
147	I	98.4	Very high	97.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	118.8	171.1	-62.6	168.9	0	0	0	108.4	W138 L144 V149 F165 L168 F170 L171 G172	W138-I147 HydrophobicContact CE3-CD1 4.31Å; W138-I147 HydrophobicContact CZ3-CG2 4.28Å; L144-I147 HydrophobicContact CD1-CG1 4.33Å; L144-I147 HydrophobicContact CD2-CD1 3.91Å; L144-I147 HydrophobicContact CD2-CG1 4.03Å; L144-I147 HydrophobicContact CG-CG1 4.26Å; I147-V149 HydrophobicContact CG2-CG1 4.05Å; I147-F165 HydrophobicContact CD1-CD1 3.84Å; I147-F165 HydrophobicContact CD1-CE1 3.68Å; I147-L168 HydrophobicContact CB-CD1 4.31Å; I147-L168 HydrophobicContact CD1-CD1 3.73Å; I147-L168 HydrophobicContact CD1-CD2 4.26Å; I147-L168 HydrophobicContact CG1-CD1 3.72Å; I147-F170 PolarHBondContact N-O 2.94Å; I147-L171 HydrophobicContact CB-CD1 4.27Å; I147-L171 HydrophobicContact CG2-CD1 4.3Å; I147-G172 PolarHBondContact O-N 3.33Å
148	S	98.2	Very high	97.1	Very high	10 Å²	10	34.9 Å²	34.9	7%	0.07	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	101	-179.2	179.5	0	0	0	0	109	I123 E124 L125 C126	I123-S148 PolarHBondContact O-N 2.8Å; E124-S148 WeakPolarHBondContact OE1-CB 3.45Å; E124-S148 WeakPolarHBondContact OE2-CB 3.4Å; E124-S148 PolarHBondContact OE2-OG 2.98Å; L125-S148 PolarHBondContact N-O 2.88Å; C126-S148 PolarHBondContact SG-OG 2.81Å
149	V	98.2	Very high	97.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.205	C	C	.	.			trans	-124.4	29.1	-176.4	-62.5	0	0	0	0	111.4	L110 L125 I147 N152 L154 G172 V173 N176	L110-V149 HydrophobicContact CD1-CG1 4.25Å; L110-V149 HydrophobicContact CD2-CB 4.49Å; L110-V149 HydrophobicContact CD2-CG1 3.89Å; L125-V149 HydrophobicContact CB-CG1 4.35Å; I147-V149 HydrophobicContact CG2-CG1 4.05Å; V149-N152 PolarHBondContact O-ND2 3.1Å; V149-N152 VanDerWaalsContact O-ND2 3.09Å; V149-L154 HydrophobicContact CB-CD1 3.82Å; V149-L154 HydrophobicContact CG2-CD1 3.58Å; V149-G172 PolarHBondContact N-O 3.33Å; V149-V173 HydrophobicContact CG2-CG1 3.83Å; V149-N176 PolarHBondContact O-ND2 2.89Å
150	C	97.3	Very high	97	Very high	12 Å²	12	37 Å²	37	8%	0.081	22%	0.215	C	C	.	.			trans	-63.7	157.7	-176.8	74.8	0	0	0	0	113.5	C126 R127 N152 E174 L579	C126-C150 CarbonylContact C-O 3.58Å; C126-C150 WeakPolarHBondContact CA-O 3.18Å; C126-C150 HydrophobicContact CB-CB 4.36Å; C126-C150 WeakPolarHBondContact CB-SG 3.26Å; C126-C150 WeakPolarHBondContact SG-CB 3.41Å; C126-C150 PolarHBondContact SG-N 2.83Å; C126-C150 CovalentContact SG-SG 2.04Å; C126-C150 PolarHBondContact SG-SG 3.49Å; R127-C150 PolarHBondContact N-O 2.71Å; C150-N152 PolarHBondContact O-ND2 3.38Å; C150-N152 VanDerWaalsContact O-ND2 3.08Å; C150-E174 CarbonylContact C-O 3.44Å; C150-E174 WeakPolarHBondContact CA-O 3.38Å; C150-E174 HydrophobicContact CB-CB 4.28Å; C150-E174 VanDerWaalsContact CB-O 3.29Å; C150-E174 WeakPolarHBondContact CB-O 3.35Å; C150-L579 HydrophobicContact CB-CD1 3.78Å
151	A	96.4	Very high	96.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	51.2	60.5	179.3	0	0	0	0	0	112.9	R127 N128 E174 G175 L579 I580	R127-A151 VanDerWaalsContact CA-O 3.25Å; R127-A151 WeakPolarHBondContact CA-O 3.24Å; R127-A151 HydrophobicContact CB-CB 4.47Å; R127-A151 HydrophobicContact CG-CB 3.84Å; R127-A151 PolarHBondContact N-O 3.38Å; N128-A151 PolarHBondContact N-O 3.28Å; N128-A151 VanDerWaalsContact N-O 3.13Å; A151-E174 PolarHBondContact N-O 3.31Å; A151-G175 VanDerWaalsContact CA-O 3.27Å; A151-G175 WeakPolarHBondContact CA-O 3.4Å; A151-L579 HydrophobicContact CB-CD1 4.1Å; A151-L579 HydrophobicContact CB-CG 4.2Å; A151-I580 HydrophobicContact CB-CD1 3.74Å; A151-I580 HydrophobicContact CB-CG1 3.69Å
152	N	98	Very high	96.8	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	18%	0.184	C	C	.	.	S	Bend	trans	-135.2	179.8	176.7	-84.9	-78.8	0	0	0	110.4	L125 N128 Y129 L130 V149 C150 L154 G175 N176 L522	L125-N152 PolarHBondContact O-ND2 3.11Å; N128-N152 WeakPolarHBondContact CA-OD1 3.28Å; N128-N152 WeakPolarHBondContact CB-OD1 3.18Å; N128-N152 PolarHBondContact O-OD1 3.02Å; Y129-N152 PolarHBondContact N-OD1 2.62Å; L130-N152 VanDerWaalsContact CB-OD1 3.29Å; L130-N152 WeakPolarHBondContact CB-OD1 3.5Å; L130-N152 WeakPolarHBondContact CG-OD1 3.35Å; L130-N152 PolarHBondContact N-OD1 2.84Å; V149-N152 PolarHBondContact O-ND2 3.1Å; V149-N152 VanDerWaalsContact O-ND2 3.09Å; C150-N152 PolarHBondContact O-ND2 3.38Å; C150-N152 VanDerWaalsContact O-ND2 3.08Å; N152-L154 HydrophobicContact CB-CD1 4.31Å; N152-L154 HydrophobicContact CB-CG 3.96Å; N152-G175 PolarHBondContact N-O 3.09Å; N152-N176 WeakPolarHBondContact CA-OD1 3.48Å; N152-N176 WeakPolarHBondContact CB-OD1 3.35Å; N152-N176 PolarHBondContact N-OD1 2.78Å; N152-N176 PolarHBondContact O-OD1 3.39Å; N152-L522 WeakPolarHBondContact O-CD1 3.45Å
153	N	97.2	Very high	96.6	Very high	48 Å²	48	28.3 Å²	28.3	26%	0.257	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	33	176.5	-163.3	37.2	0	0	0	111.8	L130 L522	L130-N153 CarbonylContact O-C 3.56Å; L130-N153 VanDerWaalsContact O-CA 3.26Å; L130-N153 WeakPolarHBondContact O-CA 3.39Å; L130-N153 WeakPolarHBondContact O-CB 3.35Å; L130-N153 PolarHBondContact O-N 3.4Å; N153-L522 HydrophobicContact CB-CD1 4.4Å; N153-L522 HydrophobicContact CB-CD2 4.03Å
154	L	98.5	Very high	96.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	142.7	177.5	-54.4	171.5	0	0	0	109.7	L110 L130 G132 V149 N152 N176 Q177 F178	L110-L154 HydrophobicContact CD1-CD1 3.77Å; L110-L154 HydrophobicContact CD1-CD2 3.82Å; L110-L154 HydrophobicContact CD1-CG 4.47Å; L110-L154 HydrophobicContact CD2-CD2 4.38Å; L110-L154 HydrophobicContact CG-CD1 4.38Å; L110-L154 HydrophobicContact CG-CD2 3.77Å; L130-L154 HydrophobicContact CB-CD2 4.4Å; L130-L154 PolarHBondContact O-N 3.1Å; G132-L154 CarbonylContact O-C 3.44Å; G132-L154 VanDerWaalsContact O-CA 3.27Å; G132-L154 WeakPolarHBondContact O-CA 3.3Å; V149-L154 HydrophobicContact CB-CD1 3.82Å; V149-L154 HydrophobicContact CG2-CD1 3.58Å; N152-L154 HydrophobicContact CB-CD1 4.31Å; N152-L154 HydrophobicContact CB-CG 3.96Å; L154-N176 HydrophobicContact CB-CB 4.31Å; L154-N176 VanDerWaalsContact CB-OD1 3.23Å; L154-N176 WeakPolarHBondContact CB-OD1 3.16Å; L154-N176 WeakPolarHBondContact CG-OD1 3.4Å; L154-N176 PolarHBondContact N-OD1 3.06Å; L154-N176 VanDerWaalsContact N-OD1 3.08Å; L154-Q177 CarbonylContact O-C 3.12Å; L154-Q177 VanDerWaalsContact O-CA 3.26Å; L154-Q177 WeakPolarHBondContact O-CA 3.28Å; L154-Q177 VanDerWaalsContact O-CB 3.28Å; L154-Q177 WeakPolarHBondContact O-CB 3.31Å; L154-Q177 PolarHBondContact O-N 3.33Å; L154-F178 HydrophobicContact CB-CE1 4.3Å; L154-F178 HydrophobicContact CB-CE2 3.69Å; L154-F178 HydrophobicContact CB-CZ 3.54Å; L154-F178 HydrophobicContact CD1-CE2 4.12Å; L154-F178 HydrophobicContact CD1-CZ 4.03Å; L154-F178 HydrophobicContact CG-CZ 4.42Å
155	S	98.2	Very high	96.4	Very high	57 Å²	57	27 Å²	27	40%	0.399	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	174.6	-169.6	61.8	0	0	0	0	112.5	G132	G132-S155 PolarHBondContact O-N 3.18Å
156	G	97.8	Very high	96	Very high	34 Å²	34	32.4 Å²	32.4	35%	0.351	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	88.3	-169.8	-175	0	0	0	0	0	112	F178 S179	G156-F178 CarbonylContact O-C 3.49Å; G156-F178 VanDerWaalsContact O-CA 3.31Å; G156-F178 WeakPolarHBondContact O-CA 3.46Å; G156-S179 PolarHBondContact O-N 3.26Å
157	N	98	Very high	95.8	Very high	100 Å²	100	35.6 Å²	35.6	54%	0.535	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	150	178	-65.1	-6.4	0	0	0	110.9	P159 S179	N157-P159 WeakPolarHBondContact O-CD 3.19Å; N157-S179 WeakPolarHBondContact CA-O 3.33Å; N157-S179 PolarHBondContact OD1-O 3.02Å
158	L	97.1	Very high	95.8	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.026	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-63.4	126.5	168.2	-168.5	68.4	0	0	0	108.4	I134 A160 L162 P183 L186 F202	I134-L158 HydrophobicContact CD1-CD1 4.37Å; L158-A160 PolarHBondContact O-N 3.15Å; L158-L162 HydrophobicContact CD1-CD1 3.75Å; L158-L162 HydrophobicContact CD2-CD1 3.73Å; L158-L162 HydrophobicContact CG-CD1 3.46Å; L158-L162 VanDerWaalsContact CG-CD1 3.46Å; L158-P183 HydrophobicContact CB-CG 4.45Å; L158-P183 HydrophobicContact CD2-CG 4.4Å; L158-L186 HydrophobicContact CD2-CD1 4.4Å; L158-L186 HydrophobicContact CD2-CD2 4.33Å; L158-F202 HydrophobicContact CB-CE1 3.97Å; L158-F202 HydrophobicContact CB-CZ 4.4Å
159	P	95.7	Very high	95.8	Very high	19 Å²	19	37.4 Å²	37.4	12%	0.123	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-61.5	129.1	-171	-26.7	35.8	0	0	0	113.5	I134 M136 N157 G161 L162	I134-P159 HydrophobicContact CB-CG 4.38Å; M136-P159 HydrophobicContact CE-CB 3.42Å; M136-P159 VanDerWaalsContact CE-CB 3.42Å; M136-P159 HydrophobicContact CE-CG 3.66Å; M136-P159 HydrophobicContact CG-CB 4.47Å; M136-P159 HydrophobicContact SD-CB 3.68Å; N157-P159 WeakPolarHBondContact O-CD 3.19Å; P159-G161 PolarHBondContact O-N 3.49Å; P159-G161 VanDerWaalsContact O-N 3.08Å; P159-L162 HydrophobicContact CB-CG 4.46Å; P159-L162 VanDerWaalsContact O-CG 3.25Å; P159-L162 WeakPolarHBondContact O-CG 3.2Å; P159-L162 PolarHBondContact O-N 2.86Å
160	A	92.9	Very high	95.8	Very high	52 Å²	52	38.5 Å²	38.5	43%	0.43	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	4.2	175.2	0	0	0	0	0	114	L158 Q163 P183	L158-A160 PolarHBondContact O-N 3.15Å; A160-Q163 VanDerWaalsContact O-CD 3.24Å; A160-Q163 PolarHBondContact O-NE2 3.29Å; A160-Q163 PolarHBondContact O-OE1 3.05Å; A160-P183 HydrophobicContact CB-CB 4.19Å
161	G	92.5	Very high	95.9	Very high	16 Å²	16	38 Å²	38	17%	0.165	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	2.1	172.7	0	0	0	0	0	113.8	P159 Q163 N164	P159-G161 PolarHBondContact O-N 3.49Å; P159-G161 VanDerWaalsContact O-N 3.08Å; G161-Q163 PolarHBondContact O-N 3.21Å; G161-Q163 PolarHBondContact O-OE1 3.3Å; G161-N164 WeakPolarHBondContact O-CB 3.2Å; G161-N164 PolarHBondContact O-N 3.01Å; G161-N164 PolarHBondContact O-ND2 2.72Å
162	L	92.3	Very high	96	Very high	1 Å²	1	38 Å²	38	1%	0.005	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-60.7	-26.7	-175.8	-81.5	174.8	0	0	0	114.2	I134 M136 L158 P159 N164 F165 L171 L186 L189	I134-L162 HydrophobicContact CD1-CD2 4.42Å; M136-L162 HydrophobicContact CE-CD2 4.27Å; L158-L162 HydrophobicContact CD1-CD1 3.75Å; L158-L162 HydrophobicContact CD2-CD1 3.73Å; L158-L162 HydrophobicContact CG-CD1 3.46Å; L158-L162 VanDerWaalsContact CG-CD1 3.46Å; P159-L162 HydrophobicContact CB-CG 4.46Å; P159-L162 VanDerWaalsContact O-CG 3.25Å; P159-L162 WeakPolarHBondContact O-CG 3.2Å; P159-L162 PolarHBondContact O-N 2.86Å; L162-N164 PolarHBondContact O-N 3.16Å; L162-F165 HydrophobicContact CD2-CD2 3.99Å; L162-F165 HydrophobicContact CD2-CE2 3.86Å; L162-F165 WeakPolarHBondContact O-CB 3.1Å; L162-F165 VanDerWaalsContact O-CD2 3.32Å; L162-F165 WeakPolarHBondContact O-CD2 3.12Å; L162-F165 PolarHBondContact O-N 2.99Å; L162-L171 HydrophobicContact CD1-CD2 4.19Å; L162-L186 HydrophobicContact CD1-CD1 4.04Å; L162-L189 HydrophobicContact CB-CD1 4.33Å; L162-L189 VanDerWaalsContact O-CD2 3.25Å; L162-L189 WeakPolarHBondContact O-CD2 3.24Å
163	Q	91.5	Very high	96	Very high	52 Å²	52	37.9 Å²	37.9	24%	0.243	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-53.5	-22.8	171.4	70.4	-78	15.8	0	0	113.9	A160 G161 F165 E185 N188	A160-Q163 VanDerWaalsContact O-CD 3.24Å; A160-Q163 PolarHBondContact O-NE2 3.29Å; A160-Q163 PolarHBondContact O-OE1 3.05Å; G161-Q163 PolarHBondContact O-N 3.21Å; G161-Q163 PolarHBondContact O-OE1 3.3Å; Q163-F165 PolarHBondContact O-N 3.38Å; Q163-E185 HydrophobicContact CB-CB 4.23Å; Q163-E185 HydrophobicContact CG-CB 4.31Å; Q163-N188 HydrophobicContact CB-CB 3.66Å
164	N	95	Very high	96	Very high	85 Å²	85	35.6 Å²	35.6	46%	0.455	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-73.6	-14.1	179.7	-64.8	-36.7	0	0	0	112.8	A139 G161 L162 K166	A139-N164 HydrophobicContact CB-CB 3.62Å; G161-N164 WeakPolarHBondContact O-CB 3.2Å; G161-N164 PolarHBondContact O-N 3.01Å; G161-N164 PolarHBondContact O-ND2 2.72Å; L162-N164 PolarHBondContact O-N 3.16Å; N164-K166 PolarHBondContact O-N 2.92Å
165	F	95.3	Very high	95.9	Very high	8 Å²	8	35.9 Å²	35.9	4%	0.035	21%	0.209	C	C	.	.			trans	-81.3	64.3	175.8	-66.7	-105.6	0	0	0	111.2	I134 M136 W138 A139 L144 I147 L162 Q163 N167 L168 L189	I134-F165 HydrophobicContact CG2-CZ 4.19Å; M136-F165 HydrophobicContact CE-CE2 3.79Å; M136-F165 HydrophobicContact CE-CZ 4.16Å; M136-F165 HydrophobicContact SD-CE2 4.14Å; W138-F165 HydrophobicContact CB-CE1 3.5Å; W138-F165 HydrophobicContact CB-CZ 3.81Å; A139-F165 HydrophobicContact CB-CD1 4.49Å; A139-F165 HydrophobicContact CB-CD2 3.8Å; A139-F165 HydrophobicContact CB-CE1 4.43Å; A139-F165 HydrophobicContact CB-CE2 3.72Å; A139-F165 HydrophobicContact CB-CG 4.21Å; A139-F165 HydrophobicContact CB-CZ 4.06Å; L144-F165 HydrophobicContact CD2-CD1 4.16Å; L144-F165 HydrophobicContact CD2-CE1 4.09Å; I147-F165 HydrophobicContact CD1-CD1 3.84Å; I147-F165 HydrophobicContact CD1-CE1 3.68Å; L162-F165 HydrophobicContact CD2-CD2 3.99Å; L162-F165 HydrophobicContact CD2-CE2 3.86Å; L162-F165 WeakPolarHBondContact O-CB 3.1Å; L162-F165 VanDerWaalsContact O-CD2 3.32Å; L162-F165 WeakPolarHBondContact O-CD2 3.12Å; L162-F165 PolarHBondContact O-N 2.99Å; Q163-F165 PolarHBondContact O-N 3.38Å; F165-N167 PolarHBondContact O-N 3.02Å; F165-L168 HydrophobicContact CB-CB 3.99Å; F165-L168 HydrophobicContact CB-CD2 4.33Å; F165-L168 VanDerWaalsContact O-CB 3.3Å; F165-L168 WeakPolarHBondContact O-CB 3.4Å; F165-L168 PolarHBondContact O-N 2.85Å; F165-L189 HydrophobicContact CB-CD2 4.19Å; F165-L189 WeakPolarHBondContact O-CD2 3.5Å
166	K	88.2	Confident	95.9	Very high	163 Å²	163	33.3 Å²	33.3	71%	0.709	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-29.7	-166.5	-63.3	-178.1	-178.9	-179.5	0	115.5	N164 S191	N164-K166 PolarHBondContact O-N 2.92Å; K166-S191 PolarHBondContact O-OG 2.86Å
167	N	95.1	Very high	95.9	Very high	84 Å²	84	33.9 Å²	33.9	45%	0.449	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	5.5	-176.4	-66.6	-19	0	0	0	113.3	A142 L144 T145 F165 T169	A142-N167 PolarHBondContact O-ND2 2.61Å; L144-N167 CarbonylContact O-C 3.41Å; T145-N167 WeakPolarHBondContact CG2-O 3.21Å; F165-N167 PolarHBondContact O-N 3.02Å; N167-T169 PolarHBondContact O-N 3.27Å
168	L	98.2	Very high	95.9	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	16%	0.158	C	C	.	.			trans	-69.3	126	-176.9	-160.1	72	0	0	0	111.3	I147 F165 L171 L189 S191 L192	I147-L168 HydrophobicContact CB-CD1 4.31Å; I147-L168 HydrophobicContact CD1-CD1 3.73Å; I147-L168 HydrophobicContact CD1-CD2 4.26Å; I147-L168 HydrophobicContact CG1-CD1 3.72Å; F165-L168 HydrophobicContact CB-CB 3.99Å; F165-L168 HydrophobicContact CB-CD2 4.33Å; F165-L168 VanDerWaalsContact O-CB 3.3Å; F165-L168 WeakPolarHBondContact O-CB 3.4Å; F165-L168 PolarHBondContact O-N 2.85Å; L168-L171 HydrophobicContact CD2-CB 4.03Å; L168-L171 HydrophobicContact CD2-CD1 4.32Å; L168-L189 HydrophobicContact CD2-CD1 4.17Å; L168-S191 CarbonylContact O-C 3.55Å; L168-S191 WeakPolarHBondContact O-CB 3.39Å; L168-L192 HydrophobicContact CD2-CD2 4.36Å; L168-L192 HydrophobicContact CG-CD2 4.27Å; L168-L192 PolarHBondContact O-N 3.22Å
169	T	98.4	Very high	96	Very high	47 Å²	47	30.8 Å²	30.8	29%	0.288	17%	0.17	S	C	.	.			trans	-110.6	-24.2	178.8	65.4	0	0	0	0	112.2	T145 N167 T193 G194	T145-T169 PolarHBondContact O-N 2.93Å; T145-T169 PolarHBondContact O-OG1 2.77Å; N167-T169 PolarHBondContact O-N 3.27Å; T169-T193 PolarHBondContact O-N 3.33Å; T169-T193 PolarHBondContact O-OG1 3.15Å; T169-G194 PolarHBondContact O-N 3Å; T169-G194 VanDerWaalsContact O-N 3.12Å
170	F	98.7	Very high	96.1	Very high	24 Å²	24	30.4 Å²	30.4	11%	0.105	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	130.1	178.6	-177.8	-97.5	0	0	0	111.4	T145 I147 G194 E196	T145-F170 PolarHBondContact O-N 3.39Å; T145-F170 VanDerWaalsContact O-N 3.14Å; I147-F170 PolarHBondContact N-O 2.94Å; F170-G194 WeakPolarHBondContact CA-O 3.24Å; F170-E196 HydrophobicContact CE2-CG 4.13Å; F170-E196 HydrophobicContact CZ-CG 4.23Å
171	L	98.4	Very high	96.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	110.1	172.7	-179.9	62.6	0	0	0	110.1	I134 I147 L162 L168 V173 L186 L192 G194 L195 E196	I134-L171 HydrophobicContact CD1-CD1 4.1Å; I147-L171 HydrophobicContact CB-CD1 4.27Å; I147-L171 HydrophobicContact CG2-CD1 4.3Å; L162-L171 HydrophobicContact CD1-CD2 4.19Å; L168-L171 HydrophobicContact CD2-CB 4.03Å; L168-L171 HydrophobicContact CD2-CD1 4.32Å; L171-V173 HydrophobicContact CD1-CG1 4.13Å; L171-V173 HydrophobicContact CG-CG1 4.48Å; L171-L186 HydrophobicContact CD2-CD1 4.1Å; L171-L192 HydrophobicContact CB-CD2 4.27Å; L171-G194 PolarHBondContact N-O 3.38Å; L171-L195 HydrophobicContact CB-CD1 4.24Å; L171-L195 HydrophobicContact CD2-CD1 4.11Å; L171-L195 HydrophobicContact CG-CD1 4.43Å; L171-E196 PolarHBondContact O-N 2.97Å
172	G	98.2	Very high	96.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	110.3	177.4	0	0	0	0	0	112.6	I147 V149	I147-G172 PolarHBondContact O-N 3.33Å; V149-G172 PolarHBondContact N-O 3.33Å
173	V	98.2	Very high	96.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.172	C	C	.	.			trans	-123.3	16.2	176.6	-59.4	0	0	0	0	112.3	I134 V149 L171 N176 F178 E196 L197 N200	I134-V173 HydrophobicContact CD1-CG1 4.01Å; V149-V173 HydrophobicContact CG2-CG1 3.83Å; L171-V173 HydrophobicContact CD1-CG1 4.13Å; L171-V173 HydrophobicContact CG-CG1 4.48Å; V173-N176 PolarHBondContact O-ND2 2.74Å; V173-F178 HydrophobicContact CB-CD2 3.98Å; V173-F178 HydrophobicContact CB-CE2 3.72Å; V173-F178 HydrophobicContact CG1-CE2 3.97Å; V173-F178 HydrophobicContact CG2-CD2 4.23Å; V173-F178 HydrophobicContact CG2-CE2 4.4Å; V173-E196 PolarHBondContact N-O 2.76Å; V173-L197 HydrophobicContact CG2-CD2 3.46Å; V173-L197 VanDerWaalsContact CG2-CD2 3.46Å; V173-N200 PolarHBondContact O-ND2 3.14Å
174	E	97.6	Very high	97.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.184	C	C	.	.			trans	-52.9	139.4	-179.1	177.6	174.2	-147.4	0	0	112.2	C150 A151 E196 A198 R220 L579 R583	C150-E174 CarbonylContact C-O 3.44Å; C150-E174 WeakPolarHBondContact CA-O 3.38Å; C150-E174 HydrophobicContact CB-CB 4.28Å; C150-E174 VanDerWaalsContact CB-O 3.29Å; C150-E174 WeakPolarHBondContact CB-O 3.35Å; A151-E174 PolarHBondContact N-O 3.31Å; E174-E196 PolarHBondContact N-O 3.44Å; E174-A198 CarbonylContact C-O 3.49Å; E174-A198 WeakPolarHBondContact CA-O 3.45Å; E174-A198 HydrophobicContact CG-CB 3.85Å; E174-A198 WeakPolarHBondContact CG-O 3.44Å; E174-R220 IonicContact OE1-CZ 2.74Å; E174-R220 IonicContact OE1-NE 2.98Å; E174-R220 PolarHBondContact OE1-NE 3.5Å; E174-R220 IonicContact OE1-NH2 3.53Å; E174-R220 PolarHBondContact OE1-NH2 3.04Å; E174-R220 IonicContact OE2-NE 3.79Å; E174-L579 HydrophobicContact CB-CD1 4.27Å; E174-L579 HydrophobicContact CG-CD1 3.89Å; E174-L579 HydrophobicContact CG-CD2 3.95Å; E174-R583 IonicContact OE1-NH1 2.66Å; E174-R583 IonicContact OE2-CZ 3.41Å; E174-R583 IonicContact OE2-NH1 3.25Å; E174-R583 PolarHBondContact OE2-NH1 2.87Å; E174-R583 IonicContact OE2-NH2 2.61Å; E174-R583 PolarHBondContact OE2-NH2 3.26Å
175	G	96.9	Very high	97.2	Very high	6 Å²	6	33 Å²	33	6%	0.062	18%	0.178	C	C	.	.	S	Bend	trans	70	43.4	175.7	0	0	0	0	0	114.4	A151 N152 A198 S199	A151-G175 VanDerWaalsContact CA-O 3.27Å; A151-G175 WeakPolarHBondContact CA-O 3.4Å; N152-G175 PolarHBondContact N-O 3.09Å; G175-A198 PolarHBondContact N-O 3.43Å; G175-S199 WeakPolarHBondContact CA-O 3.44Å
176	N	98.5	Very high	97.3	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.011	18%	0.176	C	C	.	.	S	Bend	trans	-120.5	-166.3	174.3	-81.6	-79.7	0	0	0	110.4	V149 N152 L154 V173 F178 N200	V149-N176 PolarHBondContact O-ND2 2.89Å; N152-N176 WeakPolarHBondContact CA-OD1 3.48Å; N152-N176 WeakPolarHBondContact CB-OD1 3.35Å; N152-N176 PolarHBondContact N-OD1 2.78Å; N152-N176 PolarHBondContact O-OD1 3.39Å; L154-N176 HydrophobicContact CB-CB 4.31Å; L154-N176 VanDerWaalsContact CB-OD1 3.23Å; L154-N176 WeakPolarHBondContact CB-OD1 3.16Å; L154-N176 WeakPolarHBondContact CG-OD1 3.4Å; L154-N176 PolarHBondContact N-OD1 3.06Å; L154-N176 VanDerWaalsContact N-OD1 3.08Å; V173-N176 PolarHBondContact O-ND2 2.74Å; N176-F178 HydrophobicContact CB-CD2 3.63Å; N176-F178 HydrophobicContact CB-CE2 3.85Å; N176-N200 WeakPolarHBondContact CA-OD1 3.36Å; N176-N200 VanDerWaalsContact CB-OD1 3.23Å; N176-N200 WeakPolarHBondContact CB-OD1 3.41Å; N176-N200 PolarHBondContact N-OD1 3.27Å; N176-N200 PolarHBondContact O-OD1 2.86Å
177	Q	97.5	Very high	97.7	Very high	46 Å²	46	24.9 Å²	24.9	22%	0.215	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	24.8	178.3	-55.1	-69.9	-33.1	0	0	111.9	L154 N200	L154-Q177 CarbonylContact O-C 3.12Å; L154-Q177 VanDerWaalsContact O-CA 3.26Å; L154-Q177 WeakPolarHBondContact O-CA 3.28Å; L154-Q177 VanDerWaalsContact O-CB 3.28Å; L154-Q177 WeakPolarHBondContact O-CB 3.31Å; L154-Q177 PolarHBondContact O-N 3.33Å; Q177-N200 PolarHBondContact N-OD1 3.1Å
178	F	98.5	Very high	97.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	141.3	176.7	-70.2	-73.3	0	0	0	110.7	I134 L154 G156 V173 N176 N200 K201 F202	I134-F178 HydrophobicContact CG1-CZ 4.42Å; L154-F178 HydrophobicContact CB-CE1 4.3Å; L154-F178 HydrophobicContact CB-CE2 3.69Å; L154-F178 HydrophobicContact CB-CZ 3.54Å; L154-F178 HydrophobicContact CD1-CE2 4.12Å; L154-F178 HydrophobicContact CD1-CZ 4.03Å; L154-F178 HydrophobicContact CG-CZ 4.42Å; G156-F178 CarbonylContact O-C 3.49Å; G156-F178 VanDerWaalsContact O-CA 3.31Å; G156-F178 WeakPolarHBondContact O-CA 3.46Å; V173-F178 HydrophobicContact CB-CD2 3.98Å; V173-F178 HydrophobicContact CB-CE2 3.72Å; V173-F178 HydrophobicContact CG1-CE2 3.97Å; V173-F178 HydrophobicContact CG2-CD2 4.23Å; V173-F178 HydrophobicContact CG2-CE2 4.4Å; N176-F178 HydrophobicContact CB-CD2 3.63Å; N176-F178 HydrophobicContact CB-CE2 3.85Å; F178-N200 HydrophobicContact CB-CB 4.5Å; F178-N200 WeakPolarHBondContact CB-OD1 3.43Å; F178-N200 PolarHBondContact N-OD1 3.28Å; F178-K201 CarbonylContact O-C 3.36Å; F178-K201 VanDerWaalsContact O-CA 3.28Å; F178-K201 WeakPolarHBondContact O-CA 3.15Å; F178-K201 WeakPolarHBondContact O-CB 3.38Å; F178-K201 PolarHBondContact O-N 3.21Å; F178-F202 HydrophobicContact CB-CD1 4.47Å; F178-F202 HydrophobicContact CB-CE1 3.56Å; F178-F202 HydrophobicContact CB-CE2 4.11Å; F178-F202 HydrophobicContact CB-CZ 3.35Å; F178-F202 HydrophobicContact CG-CZ 4.11Å
179	S	98.3	Very high	97.7	Very high	40 Å²	40	24 Å²	24	28%	0.28	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	176.9	-173.8	61.9	0	0	0	0	112.4	G156 N157 K201	G156-S179 PolarHBondContact O-N 3.26Å; N157-S179 WeakPolarHBondContact CA-O 3.33Å; N157-S179 PolarHBondContact OD1-O 3.02Å; S179-K201 WeakPolarHBondContact CA-O 3.18Å
180	G	98.2	Very high	97.6	Very high	11 Å²	11	24.5 Å²	24.5	11%	0.113	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.1	-176.4	178.3	0	0	0	0	0	113.1	F202 T203	G180-F202 WeakPolarHBondContact O-CA 3.48Å; G180-T203 WeakPolarHBondContact CA-OG1 3.31Å; G180-T203 PolarHBondContact O-N 3.3Å
181	P	98	Very high	97.5	Very high	77 Å²	77	25.6 Å²	25.6	50%	0.5	15%	0.151	S	C	.	.	P	Polyproline II helix	trans	-70.5	154.8	179.1	30.3	-34.7	0	0	0	112.5	T203	P181-T203 VanDerWaalsContact CA-O 3.31Å; P181-T203 WeakPolarHBondContact CA-O 2.92Å
182	I	98.2	Very high	97.5	Very high	8 Å²	8	25.6 Å²	25.6	4%	0.041	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-68.3	125.6	166	-56.5	-54.3	0	0	0	107.8	L186 L197 F202 L206 P207 F226	I182-L186 HydrophobicContact CG2-CB 4.24Å; I182-L186 HydrophobicContact CG2-CD2 3.52Å; I182-L197 HydrophobicContact CD1-CD1 3.78Å; I182-F202 HydrophobicContact CD1-CB 4.26Å; I182-F202 HydrophobicContact CD1-CD1 3.64Å; I182-F202 HydrophobicContact CD1-CD2 4.15Å; I182-F202 HydrophobicContact CD1-CE1 3.95Å; I182-F202 HydrophobicContact CD1-CE2 4.42Å; I182-F202 HydrophobicContact CD1-CG 3.76Å; I182-F202 HydrophobicContact CD1-CZ 4.32Å; I182-L206 HydrophobicContact CG1-CD2 4.42Å; I182-P207 HydrophobicContact CB-CG 4.03Å; I182-P207 HydrophobicContact CG2-CG 3.93Å; I182-F226 HydrophobicContact CD1-CE1 4.06Å; I182-F226 HydrophobicContact CD1-CZ 4.13Å; I182-F226 HydrophobicContact CG1-CE1 3.71Å; I182-F226 HydrophobicContact CG1-CZ 4.14Å
183	P	97.6	Very high	97.5	Very high	16 Å²	16	27.4 Å²	27.4	10%	0.104	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-66.1	140.1	180	25.6	-33.1	0	0	0	111.3	L158 A160 E185 L186	L158-P183 HydrophobicContact CB-CG 4.45Å; L158-P183 HydrophobicContact CD2-CG 4.4Å; A160-P183 HydrophobicContact CB-CB 4.19Å; P183-E185 WeakPolarHBondContact CB-OE2 3.33Å; P183-E185 PolarHBondContact O-N 2.74Å; P183-L186 HydrophobicContact CG-CB 4.42Å; P183-L186 VanDerWaalsContact O-CB 3.31Å; P183-L186 WeakPolarHBondContact O-CB 3.37Å; P183-L186 PolarHBondContact O-N 3.22Å
184	D	97.5	Very high	97.5	Very high	92 Å²	92	27.4 Å²	27.4	49%	0.492	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-56.8	-32.5	177	-80.6	-38.4	0	0	0	111.5	L186 G187 P207 T209	D184-L186 PolarHBondContact O-N 3.04Å; D184-G187 PolarHBondContact O-N 2.85Å; D184-G187 VanDerWaalsContact O-N 3.13Å; D184-P207 WeakPolarHBondContact OD1-CB 3.29Å; D184-T209 HydrophobicContact CB-CG2 4.02Å; D184-T209 VanDerWaalsContact O-CB 3.27Å; D184-T209 WeakPolarHBondContact O-CB 3.18Å; D184-T209 PolarHBondContact O-OG1 3.49Å
185	E	96.8	Very high	97.6	Very high	69 Å²	69	27.7 Å²	27.7	32%	0.322	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-64.9	-21.1	-179.3	-62	81.2	-178.7	0	0	113.3	Q163 P183 G187 N188	Q163-E185 HydrophobicContact CB-CB 4.23Å; Q163-E185 HydrophobicContact CG-CB 4.31Å; P183-E185 WeakPolarHBondContact CB-OE2 3.33Å; P183-E185 PolarHBondContact O-N 2.74Å; E185-G187 PolarHBondContact O-N 3.38Å; E185-N188 VanDerWaalsContact O-CB 3.31Å; E185-N188 WeakPolarHBondContact O-CB 3.48Å; E185-N188 PolarHBondContact O-N 3.46Å
186	L	96.7	Very high	97.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-58.1	-33.1	174.4	-171.4	69.7	0	0	0	111.2	L158 L162 L171 I182 P183 D184 N188 L189 L195 L210	L158-L186 HydrophobicContact CD2-CD1 4.4Å; L158-L186 HydrophobicContact CD2-CD2 4.33Å; L162-L186 HydrophobicContact CD1-CD1 4.04Å; L171-L186 HydrophobicContact CD2-CD1 4.1Å; I182-L186 HydrophobicContact CG2-CB 4.24Å; I182-L186 HydrophobicContact CG2-CD2 3.52Å; P183-L186 HydrophobicContact CG-CB 4.42Å; P183-L186 VanDerWaalsContact O-CB 3.31Å; P183-L186 WeakPolarHBondContact O-CB 3.37Å; P183-L186 PolarHBondContact O-N 3.22Å; D184-L186 PolarHBondContact O-N 3.04Å; L186-N188 PolarHBondContact O-N 3.39Å; L186-N188 VanDerWaalsContact O-N 3.1Å; L186-L189 HydrophobicContact CD1-CD1 3.95Å; L186-L189 PolarHBondContact O-N 2.99Å; L186-L189 VanDerWaalsContact O-N 3.12Å; L186-L195 HydrophobicContact CD2-CD1 4.33Å; L186-L195 HydrophobicContact CD2-CD2 4.12Å; L186-L210 HydrophobicContact CB-CD2 4.26Å; L186-L210 HydrophobicContact CD2-CD2 4.06Å; L186-L210 HydrophobicContact CG-CD2 4.22Å
187	G	96.6	Very high	97.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-63.6	-10.7	175.7	0	0	0	0	0	114.8	D184 E185 T209 R212 L213	D184-G187 PolarHBondContact O-N 2.85Å; D184-G187 VanDerWaalsContact O-N 3.13Å; E185-G187 PolarHBondContact O-N 3.38Å; G187-T209 WeakPolarHBondContact CA-O 3.48Å; G187-R212 WeakPolarHBondContact O-CB 2.86Å; G187-L213 WeakPolarHBondContact O-CD2 3.36Å
188	N	96.5	Very high	97.6	Very high	61 Å²	61	26.2 Å²	26.2	33%	0.326	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-84.3	-10.4	175.2	-67.1	-38.7	0	0	0	113.5	Q163 E185 L186 T190 R212	Q163-N188 HydrophobicContact CB-CB 3.66Å; E185-N188 VanDerWaalsContact O-CB 3.31Å; E185-N188 WeakPolarHBondContact O-CB 3.48Å; E185-N188 PolarHBondContact O-N 3.46Å; L186-N188 PolarHBondContact O-N 3.39Å; L186-N188 VanDerWaalsContact O-N 3.1Å; N188-T190 PolarHBondContact O-N 3.01Å; N188-R212 VanDerWaalsContact OD1-CZ 3.23Å; N188-R212 PolarHBondContact OD1-NH1 3.39Å; N188-R212 PolarHBondContact OD1-NH2 2.75Å
189	L	96.5	Very high	97.6	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.021	16%	0.156	C	C	.	.			trans	-79.1	58.2	177.1	-71.2	-177.1	0	0	0	112.4	L162 F165 L168 L186 S191 L192 L213	L162-L189 HydrophobicContact CB-CD1 4.33Å; L162-L189 VanDerWaalsContact O-CD2 3.25Å; L162-L189 WeakPolarHBondContact O-CD2 3.24Å; F165-L189 HydrophobicContact CB-CD2 4.19Å; F165-L189 WeakPolarHBondContact O-CD2 3.5Å; L168-L189 HydrophobicContact CD2-CD1 4.17Å; L186-L189 HydrophobicContact CD1-CD1 3.95Å; L186-L189 PolarHBondContact O-N 2.99Å; L186-L189 VanDerWaalsContact O-N 3.12Å; L189-S191 PolarHBondContact O-N 3.24Å; L189-L192 HydrophobicContact CB-CD1 3.53Å; L189-L192 HydrophobicContact CB-CG 3.78Å; L189-L192 HydrophobicContact CD1-CD1 3.93Å; L189-L192 HydrophobicContact CD1-CG 4.44Å; L189-L192 HydrophobicContact CG-CD1 4.41Å; L189-L192 WeakPolarHBondContact O-CB 3.39Å; L189-L192 WeakPolarHBondContact O-CG 3.44Å; L189-L192 PolarHBondContact O-N 2.99Å; L189-L213 VanDerWaalsContact C-CD2 3.48Å; L189-L213 VanDerWaalsContact O-CD2 3.26Å; L189-L213 WeakPolarHBondContact O-CD2 3.41Å
190	T	95.8	Very high	97.6	Very high	59 Å²	59	24.7 Å²	24.7	36%	0.362	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-16.2	-170.3	57.4	0	0	0	0	115.3	N188 L192 R212 N215	N188-T190 PolarHBondContact O-N 3.01Å; T190-L192 VanDerWaalsContact C-N 3.3Å; T190-R212 HydrophobicContact CG2-CB 4.42Å; T190-N215 PolarHBondContact O-ND2 2.97Å
191	S	97.1	Very high	97.5	Very high	47 Å²	47	29.1 Å²	29.1	33%	0.329	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-7.4	174.3	-55.2	0	0	0	0	113.8	K166 L168 L189 T193	K166-S191 PolarHBondContact O-OG 2.86Å; L168-S191 CarbonylContact O-C 3.55Å; L168-S191 WeakPolarHBondContact O-CB 3.39Å; L189-S191 PolarHBondContact O-N 3.24Å; S191-T193 PolarHBondContact O-N 3.28Å
192	L	98.3	Very high	97.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.137	C	C	.	.			trans	-62.6	131.9	-178.6	-78.8	174.3	0	0	0	112.4	L168 L171 L189 T190 L213 N215 L216	L168-L192 HydrophobicContact CD2-CD2 4.36Å; L168-L192 HydrophobicContact CG-CD2 4.27Å; L168-L192 PolarHBondContact O-N 3.22Å; L171-L192 HydrophobicContact CB-CD2 4.27Å; L189-L192 HydrophobicContact CB-CD1 3.53Å; L189-L192 HydrophobicContact CB-CG 3.78Å; L189-L192 HydrophobicContact CD1-CD1 3.93Å; L189-L192 HydrophobicContact CD1-CG 4.44Å; L189-L192 HydrophobicContact CG-CD1 4.41Å; L189-L192 WeakPolarHBondContact O-CB 3.39Å; L189-L192 WeakPolarHBondContact O-CG 3.44Å; L189-L192 PolarHBondContact O-N 2.99Å; T190-L192 VanDerWaalsContact C-N 3.3Å; L192-L213 HydrophobicContact CD1-CD1 4.35Å; L192-N215 CarbonylContact O-C 3.57Å; L192-N215 WeakPolarHBondContact O-CB 3.2Å; L192-L216 HydrophobicContact CB-CD2 4.09Å; L192-L216 PolarHBondContact O-N 3.31Å
193	T	98.6	Very high	97.6	Very high	37 Å²	37	27.9 Å²	27.9	23%	0.227	15%	0.152	C	C	.	.	S	Bend	trans	-113.2	-27.9	173.2	64	0	0	0	0	111.5	T169 S191 N215 E217 R218	T169-T193 PolarHBondContact O-N 3.33Å; T169-T193 PolarHBondContact O-OG1 3.15Å; S191-T193 PolarHBondContact O-N 3.28Å; T193-N215 WeakPolarHBondContact CA-O 3.21Å; T193-E217 WeakPolarHBondContact O-CA 3.34Å; T193-E217 PolarHBondContact O-N 2.83Å; T193-R218 PolarHBondContact O-N 3.44Å
194	G	98.6	Very high	97.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	131.6	177	0	0	0	0	0	113	T169 F170 L171 R218	T169-G194 PolarHBondContact O-N 3Å; T169-G194 VanDerWaalsContact O-N 3.12Å; F170-G194 WeakPolarHBondContact CA-O 3.24Å; L171-G194 PolarHBondContact N-O 3.38Å; G194-R218 WeakPolarHBondContact CA-O 3.3Å
195	L	98.6	Very high	97.6	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.031	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	109.8	178.7	-178.3	62.3	0	0	0	110.2	L171 L186 L197 L216 R218 V219 R220	L171-L195 HydrophobicContact CB-CD1 4.24Å; L171-L195 HydrophobicContact CD2-CD1 4.11Å; L171-L195 HydrophobicContact CG-CD1 4.43Å; L186-L195 HydrophobicContact CD2-CD1 4.33Å; L186-L195 HydrophobicContact CD2-CD2 4.12Å; L195-L197 HydrophobicContact CD1-CD1 4.29Å; L195-L197 HydrophobicContact CD1-CD2 3.77Å; L195-L197 HydrophobicContact CD1-CG 4Å; L195-L197 HydrophobicContact CD2-CD1 4.25Å; L195-L197 HydrophobicContact CG-CD1 4.2Å; L195-L197 HydrophobicContact CG-CD2 4.34Å; L195-L197 HydrophobicContact CG-CG 4.01Å; L195-L216 HydrophobicContact CB-CD2 4.01Å; L195-R218 PolarHBondContact N-O 2.9Å; L195-V219 WeakPolarHBondContact O-CA 3.39Å; L195-R220 PolarHBondContact O-N 3.41Å
196	E	98.1	Very high	97.7	Very high	20 Å²	20	26.6 Å²	26.6	9%	0.093	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	102.2	-175.9	-59.6	-177.7	-179.3	0	0	110.7	F170 L171 V173 E174 R218 R220 R583	F170-E196 HydrophobicContact CE2-CG 4.13Å; F170-E196 HydrophobicContact CZ-CG 4.23Å; L171-E196 PolarHBondContact O-N 2.97Å; V173-E196 PolarHBondContact N-O 2.76Å; E174-E196 PolarHBondContact N-O 3.44Å; E196-R218 IonicContact OE1-NH1 3.72Å; E196-R218 PolarHBondContact OE1-NH1 2.95Å; E196-R220 HydrophobicContact CB-CB 4.41Å; E196-R220 HydrophobicContact CG-CB 4.3Å; E196-R220 HydrophobicContact CG-CG 4.38Å; E196-R583 IonicContact OE2-NH2 3.38Å
197	L	98.3	Very high	97.7	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.016	15%	0.154	C	C	.	.			trans	-115.1	4.8	-175.3	-53.1	-177.6	0	0	0	113.2	V173 I182 L195 N200 F202 R220 I221 N224	V173-L197 HydrophobicContact CG2-CD2 3.46Å; V173-L197 VanDerWaalsContact CG2-CD2 3.46Å; I182-L197 HydrophobicContact CD1-CD1 3.78Å; L195-L197 HydrophobicContact CD1-CD1 4.29Å; L195-L197 HydrophobicContact CD1-CD2 3.77Å; L195-L197 HydrophobicContact CD1-CG 4Å; L195-L197 HydrophobicContact CD2-CD1 4.25Å; L195-L197 HydrophobicContact CG-CD1 4.2Å; L195-L197 HydrophobicContact CG-CD2 4.34Å; L195-L197 HydrophobicContact CG-CG 4.01Å; L197-N200 PolarHBondContact O-ND2 3Å; L197-N200 VanDerWaalsContact O-ND2 3.1Å; L197-F202 HydrophobicContact CB-CD2 4.23Å; L197-F202 HydrophobicContact CB-CE2 3.88Å; L197-F202 HydrophobicContact CD2-CE2 4.35Å; L197-R220 PolarHBondContact N-O 2.91Å; L197-I221 HydrophobicContact CB-CG2 4.22Å; L197-I221 HydrophobicContact CD1-CG2 4.26Å; L197-I221 HydrophobicContact CG-CG2 4.48Å; L197-N224 PolarHBondContact O-ND2 2.82Å
198	A	97.8	Very high	97.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.179	C	C	.	.			trans	-60.5	156.2	-171.3	0	0	0	0	0	113.7	E174 G175 N200 R220 C222	E174-A198 CarbonylContact C-O 3.49Å; E174-A198 WeakPolarHBondContact CA-O 3.45Å; E174-A198 HydrophobicContact CG-CB 3.85Å; E174-A198 WeakPolarHBondContact CG-O 3.44Å; G175-A198 PolarHBondContact N-O 3.43Å; A198-N200 PolarHBondContact O-N 2.72Å; A198-N200 PolarHBondContact O-ND2 2.84Å; A198-N200 VanDerWaalsContact O-ND2 3.16Å; A198-R220 HydrophobicContact CB-CB 4.26Å; A198-R220 PolarHBondContact N-O 2.84Å; A198-C222 CarbonylContact C-O 3.47Å; A198-C222 WeakPolarHBondContact CA-O 3.38Å; A198-C222 HydrophobicContact CB-CB 3.97Å
199	S	97.3	Very high	97.8	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.014	18%	0.175	C	C	.	.	S	Bend	trans	56.1	47.2	175.5	-55.3	0	0	0	0	114	G175 C222 D223 R524 G576	G175-S199 WeakPolarHBondContact CA-O 3.44Å; S199-C222 PolarHBondContact N-O 3.4Å; S199-D223 VanDerWaalsContact CA-O 3.29Å; S199-D223 WeakPolarHBondContact CA-O 3.48Å; S199-D223 WeakPolarHBondContact CA-OD2 3.16Å; S199-D223 PolarHBondContact N-O 3.11Å; S199-R524 PolarHBondContact O-NH2 2.95Å; S199-G576 PolarHBondContact OG-O 3.04Å; S199-G576 VanDerWaalsContact OG-O 3.08Å
200	N	98.2	Very high	97.9	Very high	7 Å²	7	28.7 Å²	28.7	4%	0.037	18%	0.176	C	C	.	.	S	Bend	trans	-119.6	-161.1	174	-84	-78.8	0	0	0	109.8	V173 N176 Q177 F178 L197 A198 F202 D223 N224	V173-N200 PolarHBondContact O-ND2 3.14Å; N176-N200 WeakPolarHBondContact CA-OD1 3.36Å; N176-N200 VanDerWaalsContact CB-OD1 3.23Å; N176-N200 WeakPolarHBondContact CB-OD1 3.41Å; N176-N200 PolarHBondContact N-OD1 3.27Å; N176-N200 PolarHBondContact O-OD1 2.86Å; Q177-N200 PolarHBondContact N-OD1 3.1Å; F178-N200 HydrophobicContact CB-CB 4.5Å; F178-N200 WeakPolarHBondContact CB-OD1 3.43Å; F178-N200 PolarHBondContact N-OD1 3.28Å; L197-N200 PolarHBondContact O-ND2 3Å; L197-N200 VanDerWaalsContact O-ND2 3.1Å; A198-N200 PolarHBondContact O-N 2.72Å; A198-N200 PolarHBondContact O-ND2 2.84Å; A198-N200 VanDerWaalsContact O-ND2 3.16Å; N200-F202 HydrophobicContact CB-CD2 3.59Å; N200-F202 HydrophobicContact CB-CE2 3.58Å; N200-F202 HydrophobicContact CB-CG 4.44Å; N200-F202 HydrophobicContact CB-CZ 4.44Å; N200-D223 PolarHBondContact N-O 3.08Å; N200-N224 WeakPolarHBondContact CA-OD1 3.31Å; N200-N224 VanDerWaalsContact CB-OD1 3.31Å; N200-N224 WeakPolarHBondContact CB-OD1 3.41Å; N200-N224 PolarHBondContact N-OD1 2.87Å; N200-N224 PolarHBondContact O-OD1 3.18Å
201	K	97.3	Very high	98	Very high	104 Å²	104	26.9 Å²	26.9	45%	0.452	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	28.5	177.7	-63.2	173	170.4	166.7	0	111.5	F178 S179	F178-K201 CarbonylContact O-C 3.36Å; F178-K201 VanDerWaalsContact O-CA 3.28Å; F178-K201 WeakPolarHBondContact O-CA 3.15Å; F178-K201 WeakPolarHBondContact O-CB 3.38Å; F178-K201 PolarHBondContact O-N 3.21Å; S179-K201 WeakPolarHBondContact CA-O 3.18Å
202	F	98.6	Very high	98.1	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	144.7	179.8	-66.9	-62.4	0	0	0	111.2	L158 F178 G180 I182 L197 N200 N224 N225 F226	L158-F202 HydrophobicContact CB-CE1 3.97Å; L158-F202 HydrophobicContact CB-CZ 4.4Å; F178-F202 HydrophobicContact CB-CD1 4.47Å; F178-F202 HydrophobicContact CB-CE1 3.56Å; F178-F202 HydrophobicContact CB-CE2 4.11Å; F178-F202 HydrophobicContact CB-CZ 3.35Å; F178-F202 HydrophobicContact CG-CZ 4.11Å; G180-F202 WeakPolarHBondContact O-CA 3.48Å; I182-F202 HydrophobicContact CD1-CB 4.26Å; I182-F202 HydrophobicContact CD1-CD1 3.64Å; I182-F202 HydrophobicContact CD1-CD2 4.15Å; I182-F202 HydrophobicContact CD1-CE1 3.95Å; I182-F202 HydrophobicContact CD1-CE2 4.42Å; I182-F202 HydrophobicContact CD1-CG 3.76Å; I182-F202 HydrophobicContact CD1-CZ 4.32Å; L197-F202 HydrophobicContact CB-CD2 4.23Å; L197-F202 HydrophobicContact CB-CE2 3.88Å; L197-F202 HydrophobicContact CD2-CE2 4.35Å; N200-F202 HydrophobicContact CB-CD2 3.59Å; N200-F202 HydrophobicContact CB-CE2 3.58Å; N200-F202 HydrophobicContact CB-CG 4.44Å; N200-F202 HydrophobicContact CB-CZ 4.44Å; F202-N224 HydrophobicContact CB-CB 4.48Å; F202-N224 WeakPolarHBondContact CB-OD1 3.47Å; F202-N224 VanDerWaalsContact CD2-OD1 3.3Å; F202-N224 WeakPolarHBondContact CD2-OD1 3.38Å; F202-N224 PolarHBondContact N-OD1 3.36Å; F202-N224 VanDerWaalsContact N-OD1 3.14Å; F202-N225 CarbonylContact O-C 3.49Å; F202-N225 VanDerWaalsContact O-CA 3.24Å; F202-N225 WeakPolarHBondContact O-CA 3.41Å; F202-N225 WeakPolarHBondContact O-CB 3.25Å; F202-N225 PolarHBondContact O-N 3.49Å; F202-F226 HydrophobicContact CB-CD1 4.37Å; F202-F226 HydrophobicContact CB-CE1 3.47Å; F202-F226 VanDerWaalsContact CB-CE1 3.47Å; F202-F226 HydrophobicContact CB-CE2 4.31Å; F202-F226 HydrophobicContact CB-CZ 3.44Å; F202-F226 VanDerWaalsContact CB-CZ 3.44Å; F202-F226 HydrophobicContact CD2-CZ 4.24Å; F202-F226 HydrophobicContact CG-CE1 4.39Å; F202-F226 HydrophobicContact CG-CZ 4.12Å
203	T	98.3	Very high	98.1	Very high	58 Å²	58	31 Å²	31	36%	0.356	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	176.2	-177.1	57.4	0	0	0	0	111.6	G180 P181 N225	G180-T203 WeakPolarHBondContact CA-OG1 3.31Å; G180-T203 PolarHBondContact O-N 3.3Å; P181-T203 VanDerWaalsContact CA-O 3.31Å; P181-T203 WeakPolarHBondContact CA-O 2.92Å; T203-N225 WeakPolarHBondContact CA-O 3.24Å; T203-N225 HydrophobicContact CG2-CB 3.97Å
204	G	98	Very high	98	Very high	24 Å²	24	32.3 Å²	32.3	25%	0.247	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78.3	-175.2	174.7	0	0	0	0	0	114	F226 T227	G204-F226 WeakPolarHBondContact O-CA 3.46Å; G204-T227 PolarHBondContact O-N 3.41Å
205	I	97.8	Very high	98	Very high	114 Å²	114	34.3 Å²	34.3	59%	0.585	19%	0.194	S	C	*	.	P	Polyproline II helix	trans	-86.1	145.9	-178.7	-56.9	170.1	0	0	0	109.1	T227	I205-T227 WeakPolarHBondContact CA-O 3.27Å
206	L	98.2	Very high	98	Very high	13 Å²	13	34 Å²	34	7%	0.068	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-64.8	122.6	172.8	-66.3	179.2	0	0	0	110.9	I182 L210 I221 F226 P231 Y233 L250	I182-L206 HydrophobicContact CG1-CD2 4.42Å; L206-L210 HydrophobicContact CB-CD1 4.45Å; L206-I221 HydrophobicContact CD1-CD1 3.87Å; L206-I221 HydrophobicContact CD2-CD1 4.3Å; L206-F226 HydrophobicContact CD2-CD1 4.01Å; L206-F226 HydrophobicContact CD2-CE1 3.91Å; L206-F226 HydrophobicContact CD2-CG 4.39Å; L206-F226 HydrophobicContact CD2-CZ 4.19Å; L206-P231 HydrophobicContact CB-CG 4.04Å; L206-P231 HydrophobicContact CD1-CG 4.03Å; L206-Y233 WeakPolarHBondContact CB-OH 3.39Å; L206-Y233 PolarHBondContact O-OH 2.86Å; L206-Y233 VanDerWaalsContact O-OH 3.09Å; L206-L250 HydrophobicContact CD1-CD1 3.71Å; L206-L250 HydrophobicContact CD1-CD2 4.43Å; L206-L250 HydrophobicContact CG-CD1 4.43Å; L206-L250 HydrophobicContact CG-CD2 4.37Å
207	P	97.6	Very high	98	Very high	11 Å²	11	36.1 Å²	36.1	7%	0.071	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-65.5	142	-171.7	21.9	-30.2	0	0	0	112.7	I182 D184 T209 L210 Y233	I182-P207 HydrophobicContact CB-CG 4.03Å; I182-P207 HydrophobicContact CG2-CG 3.93Å; D184-P207 WeakPolarHBondContact OD1-CB 3.29Å; P207-T209 PolarHBondContact O-N 3.43Å; P207-T209 VanDerWaalsContact O-N 3.16Å; P207-L210 HydrophobicContact CG-CD1 4.09Å; P207-L210 HydrophobicContact CG-CG 3.98Å; P207-L210 WeakPolarHBondContact O-CG 3.26Å; P207-L210 PolarHBondContact O-N 3.22Å; P207-Y233 PolarHBondContact O-OH 3.21Å; P207-Y233 VanDerWaalsContact O-OH 3.05Å
208	G	97.9	Very high	98	Very high	51 Å²	51	39.9 Å²	39.9	53%	0.526	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-62.7	-21.7	-179	0	0	0	0	0	113.8	L210 A211	G208-L210 PolarHBondContact O-N 3.25Å; G208-A211 WeakPolarHBondContact O-CB 3.5Å; G208-A211 PolarHBondContact O-N 3.19Å
209	T	97.8	Very high	98	Very high	40 Å²	40	40.1 Å²	40.1	25%	0.245	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-64.3	-23	177.6	58.1	0	0	0	0	113.4	D184 G187 P207 A211 R212	D184-T209 HydrophobicContact CB-CG2 4.02Å; D184-T209 VanDerWaalsContact O-CB 3.27Å; D184-T209 WeakPolarHBondContact O-CB 3.18Å; D184-T209 PolarHBondContact O-OG1 3.49Å; G187-T209 WeakPolarHBondContact CA-O 3.48Å; P207-T209 PolarHBondContact O-N 3.43Å; P207-T209 VanDerWaalsContact O-N 3.16Å; T209-A211 PolarHBondContact O-N 3.45Å; T209-A211 VanDerWaalsContact O-N 3.11Å; T209-R212 WeakPolarHBondContact O-CB 3.22Å; T209-R212 WeakPolarHBondContact O-CG 3.25Å; T209-R212 PolarHBondContact O-N 2.86Å; T209-R212 VanDerWaalsContact O-N 3.08Å
210	L	98.1	Very high	98.1	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.037	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-62.4	-17.5	176.1	-60.2	178.7	0	0	0	112.8	L186 L206 P207 G208 R212 L213 Y233 W237	L186-L210 HydrophobicContact CB-CD2 4.26Å; L186-L210 HydrophobicContact CD2-CD2 4.06Å; L186-L210 HydrophobicContact CG-CD2 4.22Å; L206-L210 HydrophobicContact CB-CD1 4.45Å; P207-L210 HydrophobicContact CG-CD1 4.09Å; P207-L210 HydrophobicContact CG-CG 3.98Å; P207-L210 WeakPolarHBondContact O-CG 3.26Å; P207-L210 PolarHBondContact O-N 3.22Å; G208-L210 PolarHBondContact O-N 3.25Å; L210-R212 PolarHBondContact O-N 2.9Å; L210-R212 VanDerWaalsContact O-N 3.07Å; L210-L213 HydrophobicContact CD2-CD1 3.73Å; L210-L213 WeakPolarHBondContact O-CB 3.35Å; L210-L213 PolarHBondContact O-N 2.99Å; L210-L213 VanDerWaalsContact O-N 3.09Å; L210-Y233 HydrophobicContact CB-CE2 3.88Å; L210-W237 HydrophobicContact CB-CZ2 4.13Å; L210-W237 PolarHBondContact O-NE1 3.21Å
211	A	98	Very high	98	Very high	21 Å²	21	41.1 Å²	41.1	17%	0.174	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-54.1	-24.2	170.8	0	0	0	0	0	113.6	G208 T209 L213 Y233	G208-A211 WeakPolarHBondContact O-CB 3.5Å; G208-A211 PolarHBondContact O-N 3.19Å; T209-A211 PolarHBondContact O-N 3.45Å; T209-A211 VanDerWaalsContact O-N 3.11Å; A211-L213 VanDerWaalsContact C-N 3.34Å; A211-Y233 HydrophobicContact CB-CD1 4.49Å; A211-Y233 HydrophobicContact CB-CD2 4.25Å; A211-Y233 HydrophobicContact CB-CG 3.88Å
212	R	98.1	Very high	98	Very high	132 Å²	132	36.5 Å²	36.5	50%	0.498	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-78.9	-14.3	-178.8	-63.7	171.8	65.9	-179.2	-6.7	113.6	G187 N188 T190 T209 L210 V214	G187-R212 WeakPolarHBondContact O-CB 2.86Å; N188-R212 VanDerWaalsContact OD1-CZ 3.23Å; N188-R212 PolarHBondContact OD1-NH1 3.39Å; N188-R212 PolarHBondContact OD1-NH2 2.75Å; T190-R212 HydrophobicContact CG2-CB 4.42Å; T209-R212 WeakPolarHBondContact O-CB 3.22Å; T209-R212 WeakPolarHBondContact O-CG 3.25Å; T209-R212 PolarHBondContact O-N 2.86Å; T209-R212 VanDerWaalsContact O-N 3.08Å; L210-R212 PolarHBondContact O-N 2.9Å; L210-R212 VanDerWaalsContact O-N 3.07Å; R212-V214 PolarHBondContact O-N 3.31Å
213	L	97.8	Very high	97.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.205	C	C	.	.			trans	-81.6	54.8	-176.6	-54.6	-175.5	0	0	0	111.8	G187 L189 L192 L210 A211 N215 L216	G187-L213 WeakPolarHBondContact O-CD2 3.36Å; L189-L213 VanDerWaalsContact C-CD2 3.48Å; L189-L213 VanDerWaalsContact O-CD2 3.26Å; L189-L213 WeakPolarHBondContact O-CD2 3.41Å; L192-L213 HydrophobicContact CD1-CD1 4.35Å; L210-L213 HydrophobicContact CD2-CD1 3.73Å; L210-L213 WeakPolarHBondContact O-CB 3.35Å; L210-L213 PolarHBondContact O-N 2.99Å; L210-L213 VanDerWaalsContact O-N 3.09Å; A211-L213 VanDerWaalsContact C-N 3.34Å; L213-N215 PolarHBondContact O-N 3.08Å; L213-L216 HydrophobicContact CB-CD1 3.53Å; L213-L216 HydrophobicContact CB-CG 3.85Å; L213-L216 HydrophobicContact CD1-CD1 3.93Å; L213-L216 HydrophobicContact CG-CD1 4.4Å; L213-L216 WeakPolarHBondContact O-CB 3.34Å; L213-L216 WeakPolarHBondContact O-CG 3.1Å; L213-L216 PolarHBondContact O-N 3.35Å; L213-L216 VanDerWaalsContact O-N 3.14Å
214	V	97.6	Very high	97.9	Very high	66 Å²	66	34.7 Å²	34.7	40%	0.4	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.4	-172	-62.3	0	0	0	0	114.6	R212	R212-V214 PolarHBondContact O-N 3.31Å
215	N	98.1	Very high	97.9	Very high	41 Å²	41	38.3 Å²	38.3	22%	0.219	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-2.2	178.7	-67.4	-51.9	0	0	0	113.6	T190 L192 T193 L213 E217 R239	T190-N215 PolarHBondContact O-ND2 2.97Å; L192-N215 CarbonylContact O-C 3.57Å; L192-N215 WeakPolarHBondContact O-CB 3.2Å; T193-N215 WeakPolarHBondContact CA-O 3.21Å; L213-N215 PolarHBondContact O-N 3.08Å; N215-E217 PolarHBondContact O-N 2.95Å; N215-R239 VanDerWaalsContact OD1-CZ 3.32Å; N215-R239 PolarHBondContact OD1-NH1 3.25Å
216	L	98.6	Very high	97.9	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.177	C	C	.	.			trans	-62.2	128.7	-178.7	-78.4	171.8	0	0	0	112.1	L192 L195 L213 V219 W237 R239 L240	L192-L216 HydrophobicContact CB-CD2 4.09Å; L192-L216 PolarHBondContact O-N 3.31Å; L195-L216 HydrophobicContact CB-CD2 4.01Å; L213-L216 HydrophobicContact CB-CD1 3.53Å; L213-L216 HydrophobicContact CB-CG 3.85Å; L213-L216 HydrophobicContact CD1-CD1 3.93Å; L213-L216 HydrophobicContact CG-CD1 4.4Å; L213-L216 WeakPolarHBondContact O-CB 3.34Å; L213-L216 WeakPolarHBondContact O-CG 3.1Å; L213-L216 PolarHBondContact O-N 3.35Å; L213-L216 VanDerWaalsContact O-N 3.14Å; L216-V219 HydrophobicContact CB-CG2 4.36Å; L216-V219 HydrophobicContact CD1-CG2 3.91Å; L216-V219 HydrophobicContact CD2-CG2 4.24Å; L216-V219 HydrophobicContact CG-CG2 4.41Å; L216-W237 HydrophobicContact CB-CB 4.34Å; L216-W237 HydrophobicContact CB-CD2 4.46Å; L216-W237 HydrophobicContact CB-CG 4.22Å; L216-W237 HydrophobicContact CD1-CD2 3.94Å; L216-W237 HydrophobicContact CD1-CE3 4.38Å; L216-W237 HydrophobicContact CD1-CG 4.31Å; L216-W237 HydrophobicContact CD1-CH2 4.48Å; L216-W237 HydrophobicContact CD1-CZ2 4.06Å; L216-R239 CarbonylContact O-C 3.6Å; L216-R239 VanDerWaalsContact O-C 3.3Å; L216-L240 VanDerWaalsContact O-CA 3.3Å; L216-L240 WeakPolarHBondContact O-CA 3.33Å; L216-L240 PolarHBondContact O-N 3.46Å; L216-L240 VanDerWaalsContact O-N 3.12Å
217	E	98.7	Very high	97.8	Very high	63 Å²	63	36 Å²	36	29%	0.294	20%	0.195	S	C	.	.			trans	-110.2	-32.3	174.9	-62.1	179.4	177.2	0	0	111.2	T193 N215 R239 Q241 K242	T193-E217 WeakPolarHBondContact O-CA 3.34Å; T193-E217 PolarHBondContact O-N 2.83Å; N215-E217 PolarHBondContact O-N 2.95Å; E217-R239 HydrophobicContact CG-CB 4.19Å; E217-Q241 WeakPolarHBondContact O-CA 3.28Å; E217-Q241 PolarHBondContact O-N 2.91Å; E217-K242 PolarHBondContact O-N 3.26Å
218	R	98.3	Very high	97.8	Very high	82 Å²	82	37 Å²	37	31%	0.309	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	123.2	-175.1	-62.6	-177.9	-73.9	133.8	-5.8	111.5	T193 G194 L195 E196 K242	T193-R218 PolarHBondContact O-N 3.44Å; G194-R218 WeakPolarHBondContact CA-O 3.3Å; L195-R218 PolarHBondContact N-O 2.9Å; E196-R218 IonicContact OE1-NH1 3.72Å; E196-R218 PolarHBondContact OE1-NH1 2.95Å; R218-K242 WeakPolarHBondContact CA-O 3.47Å; R218-K242 HydrophobicContact CB-CB 4.5Å; R218-K242 HydrophobicContact CG-CB 4.16Å; R218-K242 HydrophobicContact CG-CD 4.22Å; R218-K242 HydrophobicContact CG-CG 4.18Å
219	V	98.5	Very high	97.7	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.03	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	122.7	176.9	177.5	0	0	0	0	109.9	L195 L216 I221 W237 L240 K242 L243 H244	L195-V219 WeakPolarHBondContact O-CA 3.39Å; L216-V219 HydrophobicContact CB-CG2 4.36Å; L216-V219 HydrophobicContact CD1-CG2 3.91Å; L216-V219 HydrophobicContact CD2-CG2 4.24Å; L216-V219 HydrophobicContact CG-CG2 4.41Å; V219-I221 HydrophobicContact CG1-CG2 3.98Å; V219-W237 HydrophobicContact CB-CZ3 4.44Å; V219-W237 HydrophobicContact CG1-CZ3 4.38Å; V219-W237 HydrophobicContact CG2-CE3 4.18Å; V219-W237 HydrophobicContact CG2-CH2 4.48Å; V219-W237 HydrophobicContact CG2-CZ3 3.89Å; V219-L240 HydrophobicContact CB-CD1 4.37Å; V219-L240 HydrophobicContact CG2-CD1 3.87Å; V219-K242 PolarHBondContact N-O 2.87Å; V219-L243 HydrophobicContact CB-CD1 4.1Å; V219-L243 HydrophobicContact CG1-CD1 4.2Å; V219-H244 PolarHBondContact O-N 2.77Å
220	R	97.7	Very high	97.7	Very high	25 Å²	25	37.6 Å²	37.6	9%	0.094	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	113.4	174.1	-67	179.7	58.5	92.7	-7.2	109.9	E174 L195 E196 L197 A198 H244	E174-R220 IonicContact OE1-CZ 2.74Å; E174-R220 IonicContact OE1-NE 2.98Å; E174-R220 PolarHBondContact OE1-NE 3.5Å; E174-R220 IonicContact OE1-NH2 3.53Å; E174-R220 PolarHBondContact OE1-NH2 3.04Å; E174-R220 IonicContact OE2-NE 3.79Å; L195-R220 PolarHBondContact O-N 3.41Å; E196-R220 HydrophobicContact CB-CB 4.41Å; E196-R220 HydrophobicContact CG-CB 4.3Å; E196-R220 HydrophobicContact CG-CG 4.38Å; L197-R220 PolarHBondContact N-O 2.91Å; A198-R220 HydrophobicContact CB-CB 4.26Å; A198-R220 PolarHBondContact N-O 2.84Å; R220-H244 HydrophobicContact CG-CB 4.14Å; R220-H244 PolarHBondContact NH1-CE1 2.95Å; R220-H244 PolarHBondContact NH1-ND1 2.87Å
221	I	97.7	Very high	97.7	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.031	20%	0.197	C	C	.	.			trans	-128.7	19.3	178.3	65.6	166.8	0	0	0	113	L197 L206 V219 N224 F226 H244 L245 L250	L197-I221 HydrophobicContact CB-CG2 4.22Å; L197-I221 HydrophobicContact CD1-CG2 4.26Å; L197-I221 HydrophobicContact CG-CG2 4.48Å; L206-I221 HydrophobicContact CD1-CD1 3.87Å; L206-I221 HydrophobicContact CD2-CD1 4.3Å; V219-I221 HydrophobicContact CG1-CG2 3.98Å; I221-N224 PolarHBondContact O-ND2 2.63Å; I221-F226 HydrophobicContact CB-CE2 3.93Å; I221-F226 HydrophobicContact CD1-CD2 4.29Å; I221-F226 HydrophobicContact CD1-CE2 4.22Å; I221-H244 PolarHBondContact N-O 3.26Å; I221-L245 HydrophobicContact CD1-CD2 3.55Å; I221-L245 HydrophobicContact CG1-CD2 3.36Å; I221-L250 HydrophobicContact CD1-CD1 3.88Å
222	C	96.9	Very high	97.6	Very high	7 Å²	7	39.6 Å²	39.6	5%	0.047	21%	0.212	C	C	.	.			trans	-53.6	156.3	178.5	-52	0	0	0	0	113.3	A198 S199 N224 H244 Y246	A198-C222 CarbonylContact C-O 3.47Å; A198-C222 WeakPolarHBondContact CA-O 3.38Å; A198-C222 HydrophobicContact CB-CB 3.97Å; S199-C222 PolarHBondContact N-O 3.4Å; C222-N224 PolarHBondContact O-ND2 3.25Å; C222-N224 VanDerWaalsContact O-ND2 3.13Å; C222-H244 VanDerWaalsContact SG-C 3.51Å; C222-H244 VanDerWaalsContact SG-CB 3.59Å; C222-H244 PolarHBondContact SG-O 3.38Å; C222-Y246 CarbonylContact C-O 3.29Å; C222-Y246 WeakPolarHBondContact CA-O 3.31Å; C222-Y246 WeakPolarHBondContact CB-O 3.01Å
223	D	96.7	Very high	97.6	Very high	14 Å²	14	34.9 Å²	34.9	8%	0.075	20%	0.195	C	C	.	.	S	Bend	trans	48.9	64.1	172.9	-174.5	50.4	0	0	0	112.5	S199 N200 Y246 R524 K575 G576	S199-D223 VanDerWaalsContact CA-O 3.29Å; S199-D223 WeakPolarHBondContact CA-O 3.48Å; S199-D223 WeakPolarHBondContact CA-OD2 3.16Å; S199-D223 PolarHBondContact N-O 3.11Å; N200-D223 PolarHBondContact N-O 3.08Å; D223-Y246 PolarHBondContact N-O 3.17Å; D223-R524 IonicContact OD1-NH1 2.81Å; D223-R524 IonicContact OD2-CZ 3.26Å; D223-R524 VanDerWaalsContact OD2-CZ 3.29Å; D223-R524 IonicContact OD2-NH1 3.49Å; D223-R524 PolarHBondContact OD2-NH1 2.98Å; D223-R524 IonicContact OD2-NH2 3.49Å; D223-R524 PolarHBondContact OD2-NH2 3.11Å; D223-K575 WeakPolarHBondContact OD1-CA 3.46Å; D223-K575 WeakPolarHBondContact OD1-CB 3.47Å; D223-G576 VanDerWaalsContact CG-N 3.26Å; D223-G576 PolarHBondContact OD1-N 3.25Å; D223-G576 PolarHBondContact OD2-N 2.85Å; D223-G576 VanDerWaalsContact OD2-N 3.13Å
224	N	98	Very high	97.6	Very high	6 Å²	6	35 Å²	35	3%	0.032	20%	0.195	C	C	.	.	S	Bend	trans	-138.9	178.5	174.6	-83.4	-71.4	0	0	0	109.2	L197 N200 F202 I221 C222 F226	L197-N224 PolarHBondContact O-ND2 2.82Å; N200-N224 WeakPolarHBondContact CA-OD1 3.31Å; N200-N224 VanDerWaalsContact CB-OD1 3.31Å; N200-N224 WeakPolarHBondContact CB-OD1 3.41Å; N200-N224 PolarHBondContact N-OD1 2.87Å; N200-N224 PolarHBondContact O-OD1 3.18Å; F202-N224 HydrophobicContact CB-CB 4.48Å; F202-N224 WeakPolarHBondContact CB-OD1 3.47Å; F202-N224 VanDerWaalsContact CD2-OD1 3.3Å; F202-N224 WeakPolarHBondContact CD2-OD1 3.38Å; F202-N224 PolarHBondContact N-OD1 3.36Å; F202-N224 VanDerWaalsContact N-OD1 3.14Å; I221-N224 PolarHBondContact O-ND2 2.63Å; C222-N224 PolarHBondContact O-ND2 3.25Å; C222-N224 VanDerWaalsContact O-ND2 3.13Å; N224-F226 HydrophobicContact CB-CD2 3.58Å; N224-F226 HydrophobicContact CB-CE2 3.37Å; N224-F226 HydrophobicContact CB-CG 4.48Å; N224-F226 HydrophobicContact CB-CZ 4.15Å
225	N	96.7	Very high	97.6	Very high	100 Å²	100	32.4 Å²	32.4	54%	0.535	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	38.5	-178.5	-57.6	-42.1	0	0	0	111.6	F202 T203	F202-N225 CarbonylContact O-C 3.49Å; F202-N225 VanDerWaalsContact O-CA 3.24Å; F202-N225 WeakPolarHBondContact O-CA 3.41Å; F202-N225 WeakPolarHBondContact O-CB 3.25Å; F202-N225 PolarHBondContact O-N 3.49Å; T203-N225 WeakPolarHBondContact CA-O 3.24Å; T203-N225 HydrophobicContact CG2-CB 3.97Å
226	F	98.2	Very high	97.5	Very high	5 Å²	5	34.3 Å²	34.3	2%	0.022	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	156.8	177.3	-61.8	-66.2	0	0	0	111	I182 F202 G204 L206 I221 N224 S248 G249 L250	I182-F226 HydrophobicContact CD1-CE1 4.06Å; I182-F226 HydrophobicContact CD1-CZ 4.13Å; I182-F226 HydrophobicContact CG1-CE1 3.71Å; I182-F226 HydrophobicContact CG1-CZ 4.14Å; F202-F226 HydrophobicContact CB-CD1 4.37Å; F202-F226 HydrophobicContact CB-CE1 3.47Å; F202-F226 VanDerWaalsContact CB-CE1 3.47Å; F202-F226 HydrophobicContact CB-CE2 4.31Å; F202-F226 HydrophobicContact CB-CZ 3.44Å; F202-F226 VanDerWaalsContact CB-CZ 3.44Å; F202-F226 HydrophobicContact CD2-CZ 4.24Å; F202-F226 HydrophobicContact CG-CE1 4.39Å; F202-F226 HydrophobicContact CG-CZ 4.12Å; G204-F226 WeakPolarHBondContact O-CA 3.46Å; L206-F226 HydrophobicContact CD2-CD1 4.01Å; L206-F226 HydrophobicContact CD2-CE1 3.91Å; L206-F226 HydrophobicContact CD2-CG 4.39Å; L206-F226 HydrophobicContact CD2-CZ 4.19Å; I221-F226 HydrophobicContact CB-CE2 3.93Å; I221-F226 HydrophobicContact CD1-CD2 4.29Å; I221-F226 HydrophobicContact CD1-CE2 4.22Å; N224-F226 HydrophobicContact CB-CD2 3.58Å; N224-F226 HydrophobicContact CB-CE2 3.37Å; N224-F226 HydrophobicContact CB-CG 4.48Å; N224-F226 HydrophobicContact CB-CZ 4.15Å; F226-S248 VanDerWaalsContact CB-O 3.28Å; F226-S248 WeakPolarHBondContact CB-O 3.25Å; F226-S248 WeakPolarHBondContact CD2-O 3.43Å; F226-S248 PolarHBondContact N-O 3.23Å; F226-S248 VanDerWaalsContact N-O 3.08Å; F226-G249 CarbonylContact O-C 3.48Å; F226-G249 VanDerWaalsContact O-C 3.31Å; F226-G249 VanDerWaalsContact O-CA 3.3Å; F226-G249 WeakPolarHBondContact O-CA 3.34Å; F226-L250 HydrophobicContact CB-CD2 3.9Å; F226-L250 HydrophobicContact CB-CG 4.21Å
227	T	96.9	Very high	97.5	Very high	73 Å²	73	34.6 Å²	34.6	45%	0.448	19%	0.193	S	C	.	.			trans	-126.6	166.7	175.8	61.5	0	0	0	0	110.3	G204 I205	G204-T227 PolarHBondContact O-N 3.41Å; I205-T227 WeakPolarHBondContact CA-O 3.27Å
228	G	96.6	Very high	97.4	Very high	31 Å²	31	35.6 Å²	35.6	32%	0.32	20%	0.204	S	C	.	.	S	Bend	trans	86.6	-170.7	-178.3	0	0	0	0	0	113.4	L250 T251	G228-L250 WeakPolarHBondContact O-CA 3.26Å; G228-T251 PolarHBondContact O-N 3.33Å; G228-T251 PolarHBondContact O-OG1 3.5Å
229	I	96.5	Very high	97.4	Very high	99 Å²	99	37.7 Å²	37.7	51%	0.508	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-92.8	161.1	-174.7	62.2	170.5	0	0	0	111.9	P231 T251	I229-P231 WeakPolarHBondContact O-CD 3.44Å; I229-T251 CarbonylContact C-O 3.16Å; I229-T251 VanDerWaalsContact CA-O 3.26Å; I229-T251 WeakPolarHBondContact CA-O 3.26Å
230	I	97.5	Very high	97.4	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.026	21%	0.21	C	C	.	.			trans	-58.1	115.8	167.1	-62	163.1	0	0	0	108.6	I234 L250 T251 I254 P255 L269 I275	I230-I234 HydrophobicContact CG2-CD1 3.91Å; I230-L250 HydrophobicContact CG1-CB 4.13Å; I230-T251 WeakPolarHBondContact CG1-O 3.37Å; I230-T251 PolarHBondContact N-O 2.98Å; I230-I254 HydrophobicContact CD1-CG1 4.41Å; I230-P255 HydrophobicContact CB-CG 4.47Å; I230-P255 HydrophobicContact CG2-CG 4.17Å; I230-P255 WeakPolarHBondContact O-CG 3.36Å; I230-L269 HydrophobicContact CD1-CD2 3.54Å; I230-I275 HydrophobicContact CD1-CD1 4.07Å
231	P	97.6	Very high	97.4	Very high	12 Å²	12	39.5 Å²	39.5	8%	0.078	22%	0.221	C	C	.	.			trans	-72.2	137.6	-172.3	-20.1	32.4	0	0	0	113.6	L206 I229 Y233 I234	L206-P231 HydrophobicContact CB-CG 4.04Å; L206-P231 HydrophobicContact CD1-CG 4.03Å; I229-P231 WeakPolarHBondContact O-CD 3.44Å; P231-Y233 HydrophobicContact CB-CD1 3.55Å; P231-Y233 HydrophobicContact CB-CD2 4.22Å; P231-Y233 HydrophobicContact CB-CE1 3.18Å; P231-Y233 HydrophobicContact CB-CE2 3.86Å; P231-Y233 HydrophobicContact CB-CG 4.05Å; P231-Y233 HydrophobicContact CG-CE1 3.82Å; P231-Y233 HydrophobicContact CG-CE2 4.26Å; P231-Y233 WeakPolarHBondContact CG-OH 3.22Å; P231-Y233 PolarHBondContact O-N 3.15Å; P231-I234 WeakPolarHBondContact O-CB 3.31Å; P231-I234 WeakPolarHBondContact O-CG1 3.38Å; P231-I234 PolarHBondContact O-N 3.05Å
232	A	97.5	Very high	97.5	Very high	58 Å²	58	42 Å²	42	48%	0.479	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-63	-27.3	178.5	0	0	0	0	0	113.6	I234 G235 P255 A257	A232-I234 PolarHBondContact O-N 2.95Å; A232-I234 VanDerWaalsContact O-N 3.14Å; A232-G235 PolarHBondContact O-N 2.93Å; A232-P255 HydrophobicContact CB-CB 3.97Å; A232-P255 HydrophobicContact CB-CG 4.35Å; A232-A257 WeakPolarHBondContact O-CB 3.33Å
233	Y	97.5	Very high	97.5	Very high	34 Å²	34	41.7 Å²	41.7	13%	0.133	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-66.2	-11.8	178.5	64.2	-113.9	0	0	0	113.8	L206 P207 L210 A211 P231 G235 N236 W237	L206-Y233 WeakPolarHBondContact CB-OH 3.39Å; L206-Y233 PolarHBondContact O-OH 2.86Å; L206-Y233 VanDerWaalsContact O-OH 3.09Å; P207-Y233 PolarHBondContact O-OH 3.21Å; P207-Y233 VanDerWaalsContact O-OH 3.05Å; L210-Y233 HydrophobicContact CB-CE2 3.88Å; A211-Y233 HydrophobicContact CB-CD1 4.49Å; A211-Y233 HydrophobicContact CB-CD2 4.25Å; A211-Y233 HydrophobicContact CB-CG 3.88Å; P231-Y233 HydrophobicContact CB-CD1 3.55Å; P231-Y233 HydrophobicContact CB-CD2 4.22Å; P231-Y233 HydrophobicContact CB-CE1 3.18Å; P231-Y233 HydrophobicContact CB-CE2 3.86Å; P231-Y233 HydrophobicContact CB-CG 4.05Å; P231-Y233 HydrophobicContact CG-CE1 3.82Å; P231-Y233 HydrophobicContact CG-CE2 4.26Å; P231-Y233 WeakPolarHBondContact CG-OH 3.22Å; P231-Y233 PolarHBondContact O-N 3.15Å; Y233-G235 PolarHBondContact O-N 3.06Å; Y233-N236 WeakPolarHBondContact O-CB 3.23Å; Y233-N236 PolarHBondContact O-N 2.65Å; Y233-W237 HydrophobicContact CD2-CZ2 4.1Å; Y233-W237 HydrophobicContact CE2-CH2 4.35Å; Y233-W237 AromaticContact CE2-CZ2 3.85Å; Y233-W237 HydrophobicContact CE2-CZ2 3.85Å
234	I	97.9	Very high	97.5	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-55.9	-30.8	169.8	-68.1	-178.9	0	0	0	110	I230 P231 A232 N236 W237 L240 L243 V258 L261	I230-I234 HydrophobicContact CG2-CD1 3.91Å; P231-I234 WeakPolarHBondContact O-CB 3.31Å; P231-I234 WeakPolarHBondContact O-CG1 3.38Å; P231-I234 PolarHBondContact O-N 3.05Å; A232-I234 PolarHBondContact O-N 2.95Å; A232-I234 VanDerWaalsContact O-N 3.14Å; I234-N236 PolarHBondContact O-N 3.32Å; I234-W237 HydrophobicContact CB-CE3 4.15Å; I234-W237 HydrophobicContact CB-CZ3 4.08Å; I234-W237 HydrophobicContact CD1-CH2 4.44Å; I234-W237 HydrophobicContact CD1-CZ3 4.24Å; I234-W237 HydrophobicContact CG1-CE3 4.2Å; I234-W237 HydrophobicContact CG1-CH2 3.73Å; I234-W237 HydrophobicContact CG1-CZ2 4.37Å; I234-W237 HydrophobicContact CG1-CZ3 3.63Å; I234-W237 HydrophobicContact CG2-CE3 3.76Å; I234-W237 HydrophobicContact CG2-CZ3 3.86Å; I234-W237 WeakPolarHBondContact O-CB 3.24Å; I234-W237 PolarHBondContact O-N 2.98Å; I234-W237 VanDerWaalsContact O-N 3.11Å; I234-L240 HydrophobicContact CG2-CD2 4.1Å; I234-L243 HydrophobicContact CG2-CD2 3.8Å; I234-V258 HydrophobicContact CB-CG2 3.68Å; I234-V258 HydrophobicContact CG2-CG1 4.17Å; I234-V258 HydrophobicContact CG2-CG2 3.67Å; I234-L261 HydrophobicContact CG2-CD1 4.39Å
235	G	96.9	Very high	97.5	Very high	13 Å²	13	41.8 Å²	41.8	13%	0.134	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-64.3	-14.4	172.6	0	0	0	0	0	115	A232 Y233 W237 A257	A232-G235 PolarHBondContact O-N 2.93Å; Y233-G235 PolarHBondContact O-N 3.06Å; G235-W237 VanDerWaalsContact C-N 3.28Å; G235-A257 WeakPolarHBondContact CA-O 3.27Å
236	N	97.6	Very high	97.3	Very high	80 Å²	80	38 Å²	38	43%	0.428	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-76.3	-17.9	174.1	-62.7	9.5	0	0	0	112.2	Y233 I234 T238	Y233-N236 WeakPolarHBondContact O-CB 3.23Å; Y233-N236 PolarHBondContact O-N 2.65Å; I234-N236 PolarHBondContact O-N 3.32Å; N236-T238 PolarHBondContact O-N 2.94Å
237	W	98	Very high	97.1	Very high	8 Å²	8	38.3 Å²	38.3	3%	0.03	21%	0.211	C	C	.	.			trans	-81.2	68.6	177.5	-51.4	-26.9	0	0	0	109.3	L210 L216 V219 Y233 I234 G235 R239 L240 L261	L210-W237 HydrophobicContact CB-CZ2 4.13Å; L210-W237 PolarHBondContact O-NE1 3.21Å; L216-W237 HydrophobicContact CB-CB 4.34Å; L216-W237 HydrophobicContact CB-CD2 4.46Å; L216-W237 HydrophobicContact CB-CG 4.22Å; L216-W237 HydrophobicContact CD1-CD2 3.94Å; L216-W237 HydrophobicContact CD1-CE3 4.38Å; L216-W237 HydrophobicContact CD1-CG 4.31Å; L216-W237 HydrophobicContact CD1-CH2 4.48Å; L216-W237 HydrophobicContact CD1-CZ2 4.06Å; V219-W237 HydrophobicContact CB-CZ3 4.44Å; V219-W237 HydrophobicContact CG1-CZ3 4.38Å; V219-W237 HydrophobicContact CG2-CE3 4.18Å; V219-W237 HydrophobicContact CG2-CH2 4.48Å; V219-W237 HydrophobicContact CG2-CZ3 3.89Å; Y233-W237 HydrophobicContact CD2-CZ2 4.1Å; Y233-W237 HydrophobicContact CE2-CH2 4.35Å; Y233-W237 AromaticContact CE2-CZ2 3.85Å; Y233-W237 HydrophobicContact CE2-CZ2 3.85Å; I234-W237 HydrophobicContact CB-CE3 4.15Å; I234-W237 HydrophobicContact CB-CZ3 4.08Å; I234-W237 HydrophobicContact CD1-CH2 4.44Å; I234-W237 HydrophobicContact CD1-CZ3 4.24Å; I234-W237 HydrophobicContact CG1-CE3 4.2Å; I234-W237 HydrophobicContact CG1-CH2 3.73Å; I234-W237 HydrophobicContact CG1-CZ2 4.37Å; I234-W237 HydrophobicContact CG1-CZ3 3.63Å; I234-W237 HydrophobicContact CG2-CE3 3.76Å; I234-W237 HydrophobicContact CG2-CZ3 3.86Å; I234-W237 WeakPolarHBondContact O-CB 3.24Å; I234-W237 PolarHBondContact O-N 2.98Å; I234-W237 VanDerWaalsContact O-N 3.11Å; G235-W237 VanDerWaalsContact C-N 3.28Å; W237-R239 PolarHBondContact O-N 3.14Å; W237-L240 HydrophobicContact CB-CB 4.01Å; W237-L240 HydrophobicContact CE3-CD1 4.1Å; W237-L240 HydrophobicContact CE3-CD2 3.94Å; W237-L240 WeakPolarHBondContact O-CB 3.42Å; W237-L240 PolarHBondContact O-N 3.46Å; W237-L261 WeakPolarHBondContact O-CD2 3.45Å
238	T	96.5	Very high	97.1	Very high	84 Å²	84	35.1 Å²	35.1	52%	0.515	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-16.7	-171.3	60.8	0	0	0	0	113.9	N236 N263	N236-T238 PolarHBondContact O-N 2.94Å; T238-N263 PolarHBondContact O-ND2 3.5Å
239	R	98.1	Very high	97	Very high	125 Å²	125	35.7 Å²	35.7	47%	0.472	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-0	174	-61.7	-170.4	-178.2	158.4	8.5	113.8	N215 L216 E217 W237 Q241	N215-R239 VanDerWaalsContact OD1-CZ 3.32Å; N215-R239 PolarHBondContact OD1-NH1 3.25Å; L216-R239 CarbonylContact O-C 3.6Å; L216-R239 VanDerWaalsContact O-C 3.3Å; E217-R239 HydrophobicContact CG-CB 4.19Å; W237-R239 PolarHBondContact O-N 3.14Å; R239-Q241 PolarHBondContact O-N 3.3Å
240	L	98.6	Very high	97	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.			trans	-62.6	122.4	-174.1	-167.6	72.3	0	0	0	111.1	L216 V219 I234 W237 L243 L261 N263 L264	L216-L240 VanDerWaalsContact O-CA 3.3Å; L216-L240 WeakPolarHBondContact O-CA 3.33Å; L216-L240 PolarHBondContact O-N 3.46Å; L216-L240 VanDerWaalsContact O-N 3.12Å; V219-L240 HydrophobicContact CB-CD1 4.37Å; V219-L240 HydrophobicContact CG2-CD1 3.87Å; I234-L240 HydrophobicContact CG2-CD2 4.1Å; W237-L240 HydrophobicContact CB-CB 4.01Å; W237-L240 HydrophobicContact CE3-CD1 4.1Å; W237-L240 HydrophobicContact CE3-CD2 3.94Å; W237-L240 WeakPolarHBondContact O-CB 3.42Å; W237-L240 PolarHBondContact O-N 3.46Å; L240-L243 HydrophobicContact CD2-CB 3.91Å; L240-L243 HydrophobicContact CD2-CD1 4.33Å; L240-L243 HydrophobicContact CD2-CD2 4.08Å; L240-L243 HydrophobicContact CD2-CG 4.33Å; L240-L261 HydrophobicContact CB-CD1 4.33Å; L240-L261 HydrophobicContact CD2-CD1 3.78Å; L240-N263 CarbonylContact O-C 3.37Å; L240-L264 HydrophobicContact CD2-CD1 4.28Å; L240-L264 HydrophobicContact CG-CD1 4.3Å; L240-L264 PolarHBondContact O-N 3.07Å
241	Q	98.5	Very high	97	Very high	68 Å²	68	33 Å²	33	32%	0.318	19%	0.186	S	C	.	.			trans	-106.9	-36.6	177.5	-64.9	179.8	-2	0	0	111.8	E217 R239 L265 E266	E217-Q241 WeakPolarHBondContact O-CA 3.28Å; E217-Q241 PolarHBondContact O-N 2.91Å; R239-Q241 PolarHBondContact O-N 3.3Å; Q241-L265 HydrophobicContact CB-CD1 4.17Å; Q241-L265 HydrophobicContact CB-CG 4.17Å; Q241-L265 HydrophobicContact CG-CD1 4.33Å; Q241-L265 HydrophobicContact CG-CG 4.45Å; Q241-L265 WeakPolarHBondContact O-CA 3.39Å; Q241-L265 WeakPolarHBondContact O-CB 3.31Å; Q241-L265 PolarHBondContact O-N 2.75Å; Q241-E266 PolarHBondContact O-N 2.92Å
242	K	98.1	Very high	96.7	Very high	58 Å²	58	32.9 Å²	32.9	25%	0.252	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	120	-176.5	-53	-169.8	-176.8	-147.8	0	111	E217 R218 V219 E266	E217-K242 PolarHBondContact O-N 3.26Å; R218-K242 WeakPolarHBondContact CA-O 3.47Å; R218-K242 HydrophobicContact CB-CB 4.5Å; R218-K242 HydrophobicContact CG-CB 4.16Å; R218-K242 HydrophobicContact CG-CD 4.22Å; R218-K242 HydrophobicContact CG-CG 4.18Å; V219-K242 PolarHBondContact N-O 2.87Å; K242-E266 HydrophobicContact CB-CB 4.35Å; K242-E266 VanDerWaalsContact CE-OE1 3.28Å; K242-E266 WeakPolarHBondContact CE-OE1 3.47Å; K242-E266 HydrophobicContact CG-CB 4.2Å; K242-E266 HydrophobicContact CG-CG 4.28Å; K242-E266 IonicContact NZ-OE1 2.7Å; K242-E266 PolarHBondContact NZ-OE1 3.49Å; K242-E266 IonicContact NZ-OE2 3.78Å
243	L	98.1	Very high	96.6	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	108.3	176.8	-178.1	58.6	0	0	0	110.1	V219 I234 L240 L245 V258 L264 E266 L267 S268	V219-L243 HydrophobicContact CB-CD1 4.1Å; V219-L243 HydrophobicContact CG1-CD1 4.2Å; I234-L243 HydrophobicContact CG2-CD2 3.8Å; L240-L243 HydrophobicContact CD2-CB 3.91Å; L240-L243 HydrophobicContact CD2-CD1 4.33Å; L240-L243 HydrophobicContact CD2-CD2 4.08Å; L240-L243 HydrophobicContact CD2-CG 4.33Å; L243-L245 HydrophobicContact CD1-CD1 4.37Å; L243-L245 HydrophobicContact CD1-CD2 3.83Å; L243-L245 HydrophobicContact CD1-CG 4.1Å; L243-L245 HydrophobicContact CD2-CD1 4.23Å; L243-L245 HydrophobicContact CG-CD1 4.13Å; L243-L245 HydrophobicContact CG-CD2 4.34Å; L243-L245 HydrophobicContact CG-CG 4.04Å; L243-V258 HydrophobicContact CD2-CG1 4.11Å; L243-L264 HydrophobicContact CB-CD1 4.23Å; L243-E266 PolarHBondContact N-O 3.21Å; L243-L267 HydrophobicContact CB-CD1 4.09Å; L243-L267 HydrophobicContact CD2-CD1 3.89Å; L243-L267 HydrophobicContact CG-CD1 4.15Å; L243-S268 PolarHBondContact O-N 3.41Å
244	H	97.3	Very high	96.4	Very high	18 Å²	18	32.8 Å²	32.8	8%	0.083	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	118.5	-177.9	-54.6	165.6	0	0	0	111.9	V219 R220 I221 C222 E266 S268	V219-H244 PolarHBondContact O-N 2.77Å; R220-H244 HydrophobicContact CG-CB 4.14Å; R220-H244 PolarHBondContact NH1-CE1 2.95Å; R220-H244 PolarHBondContact NH1-ND1 2.87Å; I221-H244 PolarHBondContact N-O 3.26Å; C222-H244 VanDerWaalsContact SG-C 3.51Å; C222-H244 VanDerWaalsContact SG-CB 3.59Å; C222-H244 PolarHBondContact SG-O 3.38Å; H244-E266 IonicContact CE1-OE2 2.71Å; H244-E266 PolarHBondContact CE1-OE2 2.91Å; H244-E266 VanDerWaalsContact CE1-OE2 3.27Å; H244-E266 IonicContact NE2-OE2 3.05Å; H244-E266 PolarHBondContact NE2-OE2 3.29Å; H244-S268 VanDerWaalsContact CA-OG 3.28Å; H244-S268 WeakPolarHBondContact CA-OG 3.43Å; H244-S268 WeakPolarHBondContact CB-OG 3.39Å; H244-S268 PolarHBondContact CD2-OG 3.49Å; H244-S268 VanDerWaalsContact CD2-OG 3.22Å
245	L	96.9	Very high	96.3	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.026	19%	0.191	C	C	.	.			trans	-129.9	18.8	-168.6	-55.4	-178.1	0	0	0	113.5	I221 L243 A247 S248 S268 L269	I221-L245 HydrophobicContact CD1-CD2 3.55Å; I221-L245 HydrophobicContact CG1-CD2 3.36Å; L243-L245 HydrophobicContact CD1-CD1 4.37Å; L243-L245 HydrophobicContact CD1-CD2 3.83Å; L243-L245 HydrophobicContact CD1-CG 4.1Å; L243-L245 HydrophobicContact CD2-CD1 4.23Å; L243-L245 HydrophobicContact CG-CD1 4.13Å; L243-L245 HydrophobicContact CG-CD2 4.34Å; L243-L245 HydrophobicContact CG-CG 4.04Å; L245-A247 PolarHBondContact O-N 3.37Å; L245-S248 WeakPolarHBondContact O-CB 3.42Å; L245-S248 PolarHBondContact O-N 3.1Å; L245-S248 PolarHBondContact O-OG 2.79Å; L245-S268 WeakPolarHBondContact CA-O 3.34Å; L245-S268 WeakPolarHBondContact CB-O 3.39Å; L245-S268 PolarHBondContact N-O 2.89Å; L245-L269 HydrophobicContact CB-CG 4.15Å; L245-L269 HydrophobicContact CD1-CD1 4.23Å; L245-L269 HydrophobicContact CD1-CD2 4.41Å; L245-L269 HydrophobicContact CD1-CG 4.08Å
246	Y	92.5	Very high	96.1	Very high	20 Å²	20	38.7 Å²	38.7	8%	0.078	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	125.8	179.4	-68.2	-57.7	0	0	0	112.1	C222 D223 S248 S270 I290	C222-Y246 CarbonylContact C-O 3.29Å; C222-Y246 WeakPolarHBondContact CA-O 3.31Å; C222-Y246 WeakPolarHBondContact CB-O 3.01Å; D223-Y246 PolarHBondContact N-O 3.17Å; Y246-S248 PolarHBondContact O-N 3.46Å; Y246-S270 WeakPolarHBondContact CD1-OG 3.39Å; Y246-I290 HydrophobicContact CE1-CB 4.49Å; Y246-I290 HydrophobicContact CE1-CG2 3.63Å; Y246-I290 WeakPolarHBondContact OH-CD1 3.17Å
247	A	94.5	Very high	96	Very high	12 Å²	12	35.9 Å²	35.9	10%	0.099	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.7	38.4	176.5	0	0	0	0	0	113.4	L245 G249 S270 A573 K575	L245-A247 PolarHBondContact O-N 3.37Å; A247-G249 PolarHBondContact O-N 2.99Å; A247-S270 PolarHBondContact N-O 3.11Å; A247-A573 WeakPolarHBondContact CB-O 3.39Å; A247-K575 HydrophobicContact CB-CG 3.66Å
248	S	96.5	Very high	95.9	Very high	5 Å²	5	35.6 Å²	35.6	4%	0.035	20%	0.201	C	C	.	.			trans	-74.2	-18.9	-178	53.2	0	0	0	0	112.5	F226 L245 Y246 L250	F226-S248 VanDerWaalsContact CB-O 3.28Å; F226-S248 WeakPolarHBondContact CB-O 3.25Å; F226-S248 WeakPolarHBondContact CD2-O 3.43Å; F226-S248 PolarHBondContact N-O 3.23Å; F226-S248 VanDerWaalsContact N-O 3.08Å; L245-S248 WeakPolarHBondContact O-CB 3.42Å; L245-S248 PolarHBondContact O-N 3.1Å; L245-S248 PolarHBondContact O-OG 2.79Å; Y246-S248 PolarHBondContact O-N 3.46Å; S248-L250 VanDerWaalsContact C-N 3.34Å
249	G	94.4	Very high	95.7	Very high	43 Å²	43	32.4 Å²	32.4	44%	0.443	18%	0.181	S	C	.	.	S	Bend	trans	91.7	-11.7	-173.1	0	0	0	0	0	114	F226 A247	F226-G249 CarbonylContact O-C 3.48Å; F226-G249 VanDerWaalsContact O-C 3.31Å; F226-G249 VanDerWaalsContact O-CA 3.3Å; F226-G249 WeakPolarHBondContact O-CA 3.34Å; A247-G249 PolarHBondContact O-N 2.99Å
250	L	97	Very high	95.6	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	19%	0.186	C	C	.	.			trans	-71.5	140.9	176.1	-60.7	175.1	0	0	0	111.7	L206 I221 F226 G228 I230 S248 T272	L206-L250 HydrophobicContact CD1-CD1 3.71Å; L206-L250 HydrophobicContact CD1-CD2 4.43Å; L206-L250 HydrophobicContact CG-CD1 4.43Å; L206-L250 HydrophobicContact CG-CD2 4.37Å; I221-L250 HydrophobicContact CD1-CD1 3.88Å; F226-L250 HydrophobicContact CB-CD2 3.9Å; F226-L250 HydrophobicContact CB-CG 4.21Å; G228-L250 WeakPolarHBondContact O-CA 3.26Å; I230-L250 HydrophobicContact CG1-CB 4.13Å; S248-L250 VanDerWaalsContact C-N 3.34Å; L250-T272 WeakPolarHBondContact O-CB 3.45Å; L250-T272 PolarHBondContact O-OG1 3.47Å
251	T	96.1	Very high	95.6	Very high	47 Å²	47	33.9 Å²	33.9	29%	0.288	19%	0.188	S	C	.	.	B	Isolated β-bridge	trans	-102.6	160.8	176.8	60.4	0	0	0	0	112.9	G228 I229 I230 T272	G228-T251 PolarHBondContact O-N 3.33Å; G228-T251 PolarHBondContact O-OG1 3.5Å; I229-T251 CarbonylContact C-O 3.16Å; I229-T251 VanDerWaalsContact CA-O 3.26Å; I229-T251 WeakPolarHBondContact CA-O 3.26Å; I230-T251 WeakPolarHBondContact CG1-O 3.37Å; I230-T251 PolarHBondContact N-O 2.98Å; T251-T272 WeakPolarHBondContact CA-OG1 3.25Å
252	G	92.4	Very high	95.5	Very high	8 Å²	8	37.7 Å²	37.7	8%	0.082	21%	0.205	C	C	.	.			trans	-71.8	176.7	174.5	0	0	0	0	0	114.2	T273	G252-T273 PolarHBondContact N-O 3.09Å
253	P	94.2	Very high	95.4	Very high	76 Å²	76	39.2 Å²	39.2	49%	0.494	22%	0.216	S	C	.	.	P	Polyproline II helix	cis	-76.8	168.9	7.2	32.2	-36.5	0	0	0	113.6	P255	P253-P255 VanDerWaalsContact O-CD 3.29Å; P253-P255 WeakPolarHBondContact O-CD 3.4Å
254	I	94.3	Very high	95.4	Very high	15 Å²	15	39.3 Å²	39.3	8%	0.077	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-71.1	118.7	162	-56.2	180	0	0	0	106.4	I230 V258 V259 L269 I275 P279 L291	I230-I254 HydrophobicContact CD1-CG1 4.41Å; I254-V258 HydrophobicContact CG2-CB 4.07Å; I254-V258 HydrophobicContact CG2-CG1 4.21Å; I254-V259 HydrophobicContact CG2-CG2 3.86Å; I254-L269 HydrophobicContact CD1-CD2 4.14Å; I254-L269 HydrophobicContact CG1-CD2 4.1Å; I254-I275 HydrophobicContact CD1-CG2 4.15Å; I254-I275 HydrophobicContact CG1-CD1 3.64Å; I254-I275 HydrophobicContact CG1-CG2 4.06Å; I254-P279 HydrophobicContact CD1-CB 4.26Å; I254-P279 HydrophobicContact CD1-CG 3.98Å; I254-L291 HydrophobicContact CD1-CD2 4.18Å
255	P	94.9	Very high	95.5	Very high	20 Å²	20	40.4 Å²	40.4	13%	0.13	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-65.6	142.4	-178.9	-20.2	32.4	0	0	0	111.6	I230 A232 P253 A257 V258 V259	I230-P255 HydrophobicContact CB-CG 4.47Å; I230-P255 HydrophobicContact CG2-CG 4.17Å; I230-P255 WeakPolarHBondContact O-CG 3.36Å; A232-P255 HydrophobicContact CB-CB 3.97Å; A232-P255 HydrophobicContact CB-CG 4.35Å; P253-P255 VanDerWaalsContact O-CD 3.29Å; P253-P255 WeakPolarHBondContact O-CD 3.4Å; P255-A257 PolarHBondContact O-N 2.85Å; P255-V258 HydrophobicContact CB-CG2 4.23Å; P255-V258 HydrophobicContact CG-CG2 4.17Å; P255-V258 WeakPolarHBondContact O-CA 3.43Å; P255-V258 WeakPolarHBondContact O-CB 3.38Å; P255-V258 PolarHBondContact O-N 3.06Å; P255-V259 PolarHBondContact O-N 3.03Å
256	D	94.1	Very high	95.5	Very high	118 Å²	118	41.3 Å²	41.3	63%	0.631	23%	0.227	S	C	*	.	H	α-helix	trans	-55.1	-29.6	177.2	-64.5	-23.7	0	0	0	112.8	V258 V259 R260	D256-V258 VanDerWaalsContact C-N 3.29Å; D256-V258 PolarHBondContact O-N 3.22Å; D256-V259 WeakPolarHBondContact O-CB 3.49Å; D256-V259 PolarHBondContact O-N 2.9Å; D256-R260 WeakPolarHBondContact O-CG 3.37Å; D256-R260 PolarHBondContact O-N 3.13Å; D256-R260 VanDerWaalsContact O-N 3.09Å; D256-R260 PolarHBondContact O-NH1 3.39Å
257	A	94.8	Very high	95.7	Very high	20 Å²	20	40.4 Å²	40.4	17%	0.165	22%	0.224	C	C	.	.	H	α-helix	trans	-61.8	-35.3	175	0	0	0	0	0	112.8	A232 G235 P255	A232-A257 WeakPolarHBondContact O-CB 3.33Å; G235-A257 WeakPolarHBondContact CA-O 3.27Å; P255-A257 PolarHBondContact O-N 2.85Å
258	V	95	Very high	95.8	Very high	3 Å²	3	40 Å²	40	2%	0.018	22%	0.22	C	C	.	.	H	α-helix	trans	-74.5	-38.4	175.3	-176.6	0	0	0	0	110.6	I234 L243 I254 P255 D256 R260 L261	I234-V258 HydrophobicContact CB-CG2 3.68Å; I234-V258 HydrophobicContact CG2-CG1 4.17Å; I234-V258 HydrophobicContact CG2-CG2 3.67Å; L243-V258 HydrophobicContact CD2-CG1 4.11Å; I254-V258 HydrophobicContact CG2-CB 4.07Å; I254-V258 HydrophobicContact CG2-CG1 4.21Å; P255-V258 HydrophobicContact CB-CG2 4.23Å; P255-V258 HydrophobicContact CG-CG2 4.17Å; P255-V258 WeakPolarHBondContact O-CA 3.43Å; P255-V258 WeakPolarHBondContact O-CB 3.38Å; P255-V258 PolarHBondContact O-N 3.06Å; D256-V258 VanDerWaalsContact C-N 3.29Å; D256-V258 PolarHBondContact O-N 3.22Å; V258-R260 PolarHBondContact O-N 3.22Å; V258-L261 HydrophobicContact CG1-CD1 4.19Å; V258-L261 WeakPolarHBondContact O-CB 3.33Å; V258-L261 WeakPolarHBondContact O-CG 3.21Å; V258-L261 PolarHBondContact O-N 3.09Å; V258-L261 VanDerWaalsContact O-N 3.15Å
259	V	94.1	Very high	95.8	Very high	16 Å²	16	40.1 Å²	40.1	10%	0.097	22%	0.22	C	C	.	.	H	α-helix	trans	-61.8	-29.7	177.7	177.9	0	0	0	0	112.2	I254 P255 D256 L261 P279 N280 L281 S282	I254-V259 HydrophobicContact CG2-CG2 3.86Å; P255-V259 PolarHBondContact O-N 3.03Å; D256-V259 WeakPolarHBondContact O-CB 3.49Å; D256-V259 PolarHBondContact O-N 2.9Å; V259-L261 VanDerWaalsContact C-N 3.35Å; V259-P279 HydrophobicContact CG2-CB 4.04Å; V259-N280 VanDerWaalsContact CG1-C 3.42Å; V259-N280 WeakPolarHBondContact CG1-O 3.35Å; V259-L281 HydrophobicContact CG1-CD2 4.47Å; V259-S282 WeakPolarHBondContact O-CB 3.32Å; V259-S282 PolarHBondContact O-N 3.45Å; V259-S282 PolarHBondContact O-OG 3.41Å
260	R	96	Very high	95.8	Very high	149 Å²	149	38.1 Å²	38.1	56%	0.562	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-1.6	177.1	-73.2	-170.5	-61.3	-91.4	4.3	115.2	D256 V258 E262	D256-R260 WeakPolarHBondContact O-CG 3.37Å; D256-R260 PolarHBondContact O-N 3.13Å; D256-R260 VanDerWaalsContact O-N 3.09Å; D256-R260 PolarHBondContact O-NH1 3.39Å; V258-R260 PolarHBondContact O-N 3.22Å; R260-E262 PolarHBondContact O-N 3.41Å; R260-E262 VanDerWaalsContact O-N 3.11Å
261	L	97.3	Very high	95.6	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.042	21%	0.21	C	C	.	.			trans	-69.3	108.9	178.2	-69.3	172.5	0	0	0	110.7	I234 W237 L240 V258 V259 L264 S283	I234-L261 HydrophobicContact CG2-CD1 4.39Å; W237-L261 WeakPolarHBondContact O-CD2 3.45Å; L240-L261 HydrophobicContact CB-CD1 4.33Å; L240-L261 HydrophobicContact CD2-CD1 3.78Å; V258-L261 HydrophobicContact CG1-CD1 4.19Å; V258-L261 WeakPolarHBondContact O-CB 3.33Å; V258-L261 WeakPolarHBondContact O-CG 3.21Å; V258-L261 PolarHBondContact O-N 3.09Å; V258-L261 VanDerWaalsContact O-N 3.15Å; V259-L261 VanDerWaalsContact C-N 3.35Å; L261-L264 HydrophobicContact CB-CB 4.39Å; L261-S283 WeakPolarHBondContact O-CB 3.49Å
262	E	96	Very high	95.5	Very high	148 Å²	148	38.9 Å²	38.9	69%	0.692	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-30.3	-174.9	-62.7	-178.9	169.3	0	0	113.2	R260 L264 S283	R260-E262 PolarHBondContact O-N 3.41Å; R260-E262 VanDerWaalsContact O-N 3.11Å; E262-L264 VanDerWaalsContact C-N 3.28Å; E262-L264 PolarHBondContact O-N 3.19Å; E262-S283 VanDerWaalsContact O-CB 3.31Å; E262-S283 WeakPolarHBondContact O-CB 3.28Å; E262-S283 PolarHBondContact O-OG 2.96Å
263	N	97.4	Very high	95.4	Very high	90 Å²	90	43.1 Å²	43.1	48%	0.481	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	1.8	-176.5	-69.2	-49.6	0	0	0	114.5	T238 L240 L265	T238-N263 PolarHBondContact O-ND2 3.5Å; L240-N263 CarbonylContact O-C 3.37Å; N263-L265 PolarHBondContact O-N 3.02Å
264	L	98.1	Very high	95.3	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.016	22%	0.22	C	C	.	.			trans	-70.1	117.5	-172.9	-162.7	67.5	0	0	0	111.7	L240 L243 L261 E262 L267 S283 L286	L240-L264 HydrophobicContact CD2-CD1 4.28Å; L240-L264 HydrophobicContact CG-CD1 4.3Å; L240-L264 PolarHBondContact O-N 3.07Å; L243-L264 HydrophobicContact CB-CD1 4.23Å; L261-L264 HydrophobicContact CB-CB 4.39Å; E262-L264 VanDerWaalsContact C-N 3.28Å; E262-L264 PolarHBondContact O-N 3.19Å; L264-L267 HydrophobicContact CD2-CB 3.86Å; L264-L267 HydrophobicContact CD2-CD1 4.29Å; L264-L267 HydrophobicContact CD2-CD2 4.15Å; L264-L267 HydrophobicContact CD2-CG 4.32Å; L264-S283 PolarHBondContact O-OG 3.46Å; L264-L286 HydrophobicContact CD2-CD1 4.47Å; L264-L286 HydrophobicContact CG-CD1 4.28Å; L264-L286 WeakPolarHBondContact O-CD1 3.34Å
265	L	98.1	Very high	95.2	Very high	41 Å²	41	40.8 Å²	40.8	22%	0.215	22%	0.219	C	C	.	.			trans	-97.1	-31.5	176.8	-57.1	-178.7	0	0	0	112.1	Q241 N263 G285 K287 R288	Q241-L265 HydrophobicContact CB-CD1 4.17Å; Q241-L265 HydrophobicContact CB-CG 4.17Å; Q241-L265 HydrophobicContact CG-CD1 4.33Å; Q241-L265 HydrophobicContact CG-CG 4.45Å; Q241-L265 WeakPolarHBondContact O-CA 3.39Å; Q241-L265 WeakPolarHBondContact O-CB 3.31Å; Q241-L265 PolarHBondContact O-N 2.75Å; N263-L265 PolarHBondContact O-N 3.02Å; L265-G285 VanDerWaalsContact CD2-O 3.23Å; L265-G285 WeakPolarHBondContact CD2-O 3.47Å; L265-K287 WeakPolarHBondContact O-CA 3.2Å; L265-K287 PolarHBondContact O-N 3.21Å; L265-R288 PolarHBondContact O-N 3.4Å; L265-R288 VanDerWaalsContact O-N 3.11Å
266	E	97.5	Very high	94.9	Very high	23 Å²	23	47 Å²	47	11%	0.107	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	126.4	-177.8	-59.4	178.5	-156.7	0	0	111	Q241 K242 L243 H244 R288	Q241-E266 PolarHBondContact O-N 2.92Å; K242-E266 HydrophobicContact CB-CB 4.35Å; K242-E266 VanDerWaalsContact CE-OE1 3.28Å; K242-E266 WeakPolarHBondContact CE-OE1 3.47Å; K242-E266 HydrophobicContact CG-CB 4.2Å; K242-E266 HydrophobicContact CG-CG 4.28Å; K242-E266 IonicContact NZ-OE1 2.7Å; K242-E266 PolarHBondContact NZ-OE1 3.49Å; K242-E266 IonicContact NZ-OE2 3.78Å; L243-E266 PolarHBondContact N-O 3.21Å; H244-E266 IonicContact CE1-OE2 2.71Å; H244-E266 PolarHBondContact CE1-OE2 2.91Å; H244-E266 VanDerWaalsContact CE1-OE2 3.27Å; H244-E266 IonicContact NE2-OE2 3.05Å; H244-E266 PolarHBondContact NE2-OE2 3.29Å; E266-R288 WeakPolarHBondContact CA-O 3.38Å; E266-R288 HydrophobicContact CB-CB 4.4Å; E266-R288 HydrophobicContact CG-CB 4.07Å; E266-R288 HydrophobicContact CG-CG 4.21Å
267	L	97.4	Very high	94.8	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	118.1	173.1	-177.7	59.5	0	0	0	109.4	L243 L264 L269 L281 R288 L289 I290	L243-L267 HydrophobicContact CB-CD1 4.09Å; L243-L267 HydrophobicContact CD2-CD1 3.89Å; L243-L267 HydrophobicContact CG-CD1 4.15Å; L264-L267 HydrophobicContact CD2-CB 3.86Å; L264-L267 HydrophobicContact CD2-CD1 4.29Å; L264-L267 HydrophobicContact CD2-CD2 4.15Å; L264-L267 HydrophobicContact CD2-CG 4.32Å; L267-L269 HydrophobicContact CD1-CD1 3.4Å; L267-L269 HydrophobicContact CD2-CD1 4.33Å; L267-L269 HydrophobicContact CG-CD1 3.67Å; L267-L281 HydrophobicContact CD2-CD2 4.05Å; L267-R288 PolarHBondContact N-O 3.26Å; L267-L289 HydrophobicContact CB-CD1 4.04Å; L267-L289 HydrophobicContact CD2-CD1 4.01Å; L267-L289 HydrophobicContact CG-CD1 4.27Å; L267-I290 PolarHBondContact O-N 3.31Å
268	S	96.3	Very high	94.7	Very high	4 Å²	4	45.2 Å²	45.2	3%	0.028	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	122.5	176.1	63.8	0	0	0	0	113	L243 H244 L245 I290	L243-S268 PolarHBondContact O-N 3.41Å; H244-S268 VanDerWaalsContact CA-OG 3.28Å; H244-S268 WeakPolarHBondContact CA-OG 3.43Å; H244-S268 WeakPolarHBondContact CB-OG 3.39Å; H244-S268 PolarHBondContact CD2-OG 3.49Å; H244-S268 VanDerWaalsContact CD2-OG 3.22Å; L245-S268 WeakPolarHBondContact CA-O 3.34Å; L245-S268 WeakPolarHBondContact CB-O 3.39Å; L245-S268 PolarHBondContact N-O 2.89Å; S268-I290 CarbonylContact C-O 3.41Å; S268-I290 WeakPolarHBondContact CA-O 3.37Å
269	L	95.8	Very high	94.6	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	136.6	174.2	-72.9	79.3	0	0	0	108.1	I230 L245 I254 L267 I275 I290 L291 R292 V294	I230-L269 HydrophobicContact CD1-CD2 3.54Å; L245-L269 HydrophobicContact CB-CG 4.15Å; L245-L269 HydrophobicContact CD1-CD1 4.23Å; L245-L269 HydrophobicContact CD1-CD2 4.41Å; L245-L269 HydrophobicContact CD1-CG 4.08Å; I254-L269 HydrophobicContact CD1-CD2 4.14Å; I254-L269 HydrophobicContact CG1-CD2 4.1Å; L267-L269 HydrophobicContact CD1-CD1 3.4Å; L267-L269 HydrophobicContact CD2-CD1 4.33Å; L267-L269 HydrophobicContact CG-CD1 3.67Å; L269-I275 HydrophobicContact CD2-CD1 4.41Å; L269-I290 PolarHBondContact N-O 3.38Å; L269-L291 HydrophobicContact CB-CD2 4.15Å; L269-L291 HydrophobicContact CD1-CD2 4.08Å; L269-L291 WeakPolarHBondContact O-CA 3.46Å; L269-R292 PolarHBondContact O-N 2.87Å; L269-V294 HydrophobicContact CB-CG1 4.33Å
270	S	95.1	Very high	94.5	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.007	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	158.9	169.4	78.9	0	0	0	0	114.1	Y246 A247 T272 R292	Y246-S270 WeakPolarHBondContact CD1-OG 3.39Å; A247-S270 PolarHBondContact N-O 3.11Å; S270-T272 VanDerWaalsContact C-N 3.32Å; S270-T272 PolarHBondContact O-N 3.2Å; S270-R292 CarbonylContact C-O 3.57Å; S270-R292 WeakPolarHBondContact CA-O 3.39Å; S270-R292 PolarHBondContact OG-NH2 3.42Å
271	D	92.8	Very high	94.4	Very high	44 Å²	44	43.7 Å²	43.7	24%	0.235	24%	0.239	C	C	.	.	S	Bend	trans	53.4	49.9	167.2	-58.1	-83	0	0	0	111.7	R292 N293 Y571 A573	D271-R292 PolarHBondContact N-O 3.18Å; D271-R292 IonicContact OD2-CZ 2.68Å; D271-R292 IonicContact OD2-NE 3.52Å; D271-R292 PolarHBondContact OD2-NE 2.94Å; D271-R292 IonicContact OD2-NH2 3.22Å; D271-R292 PolarHBondContact OD2-NH2 3.29Å; D271-N293 WeakPolarHBondContact CA-O 3.34Å; D271-N293 PolarHBondContact N-O 3.15Å; D271-N293 PolarHBondContact OD1-ND2 3.03Å; D271-Y571 VanDerWaalsContact CG-OH 3.28Å; D271-Y571 WeakPolarHBondContact OD1-CE1 3.35Å; D271-Y571 PolarHBondContact OD1-OH 3.27Å; D271-Y571 PolarHBondContact OD2-OH 2.85Å; D271-Y571 VanDerWaalsContact OD2-OH 3.13Å; D271-A573 VanDerWaalsContact OD2-C 3.28Å; D271-A573 WeakPolarHBondContact OD2-CA 3.39Å
272	T	93.4	Very high	94.2	Very high	21 Å²	21	45.7 Å²	45.7	13%	0.129	25%	0.253	C	S	.	.			trans	-133	167.9	180	-175.6	0	0	0	0	110.8	L250 T251 S270 I275 N293 V294	L250-T272 WeakPolarHBondContact O-CB 3.45Å; L250-T272 PolarHBondContact O-OG1 3.47Å; T251-T272 WeakPolarHBondContact CA-OG1 3.25Å; S270-T272 VanDerWaalsContact C-N 3.32Å; S270-T272 PolarHBondContact O-N 3.2Å; T272-I275 HydrophobicContact CG2-CG1 4.32Å; T272-N293 PolarHBondContact N-O 2.73Å; T272-V294 HydrophobicContact CG2-CB 3.99Å; T272-V294 HydrophobicContact CG2-CG1 3.59Å; T272-V294 WeakPolarHBondContact O-CA 3.47Å
273	T	91.7	Very high	94.2	Very high	97 Å²	97	38.8 Å²	38.8	60%	0.595	22%	0.222	S	C	*	.	S	Bend	trans	-120.9	162.5	-177.4	61.4	0	0	0	0	111	G252	G252-T273 PolarHBondContact N-O 3.09Å
274	G	90.7	Very high	94	Very high	34 Å²	34	41.3 Å²	41.3	35%	0.351	23%	0.228	S	C	.	.	S	Bend	trans	91.6	-2.5	171	0	0	0	0	0	116.7
275	I	92.8	Very high	93.9	Very high	9 Å²	9	42.1 Å²	42.1	5%	0.046	24%	0.237	C	C	.	.			trans	-74.2	-42.5	178.1	-48.7	-63.1	0	0	0	111.8	I230 I254 L269 T272 S277 V294 L296	I230-I275 HydrophobicContact CD1-CD1 4.07Å; I254-I275 HydrophobicContact CD1-CG2 4.15Å; I254-I275 HydrophobicContact CG1-CD1 3.64Å; I254-I275 HydrophobicContact CG1-CG2 4.06Å; L269-I275 HydrophobicContact CD2-CD1 4.41Å; T272-I275 HydrophobicContact CG2-CG1 4.32Å; I275-S277 PolarHBondContact O-N 3.18Å; I275-V294 HydrophobicContact CB-CB 4.34Å; I275-V294 HydrophobicContact CB-CG2 4.18Å; I275-V294 HydrophobicContact CG1-CB 3.85Å; I275-V294 HydrophobicContact CG1-CG2 4.11Å; I275-V294 HydrophobicContact CG2-CG2 4.4Å; I275-L296 HydrophobicContact CB-CD2 4.29Å; I275-L296 HydrophobicContact CG2-CD2 3.63Å
276	K	89.2	Confident	93.9	Very high	151 Å²	151	40.2 Å²	40.2	66%	0.657	23%	0.227	S	C	*	.			trans	62.5	-45.5	173	-59.3	-179.2	179	179.7	0	117.3	G295 S297	K276-G295 WeakPolarHBondContact CA-O 3.48Å; K276-S297 PolarHBondContact O-N 2.96Å; K276-S297 PolarHBondContact O-OG 3.44Å
277	S	91.3	Very high	93.9	Very high	77 Å²	77	43.1 Å²	43.1	54%	0.538	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-129.4	152.6	-174.3	55.8	0	0	0	0	111.7	I275 L296	I275-S277 PolarHBondContact O-N 3.18Å; S277-L296 VanDerWaalsContact O-CD2 3.31Å; S277-L296 WeakPolarHBondContact O-CD2 3.47Å
278	F	92.9	Very high	93.8	Very high	23 Å²	23	45 Å²	45	10%	0.101	25%	0.247	C	C	.	.			trans	-64.8	129.2	177.7	-157.3	-71.3	0	0	0	111.1	L289 L296 P301 Y303 I304 L315 L320	F278-L289 HydrophobicContact CE1-CD2 4.38Å; F278-L289 HydrophobicContact CZ-CD2 4.02Å; F278-L296 HydrophobicContact CD2-CD1 4.04Å; F278-L296 HydrophobicContact CE2-CD1 4.49Å; F278-P301 HydrophobicContact CB-CG 3.86Å; F278-P301 HydrophobicContact CD1-CG 3.65Å; F278-P301 HydrophobicContact CD2-CG 4.44Å; F278-P301 HydrophobicContact CE1-CG 4.34Å; F278-P301 VanDerWaalsContact CG-CD 3.46Å; F278-P301 HydrophobicContact CG-CG 3.73Å; F278-Y303 WeakPolarHBondContact CE1-OH 3.37Å; F278-I304 HydrophobicContact CE1-CD1 4.33Å; F278-I304 HydrophobicContact CZ-CD1 4.11Å; F278-I304 HydrophobicContact CZ-CG1 4.4Å; F278-L315 HydrophobicContact CD2-CD2 4.43Å; F278-L315 HydrophobicContact CE2-CD1 3.66Å; F278-L315 HydrophobicContact CE2-CD2 3.49Å; F278-L315 VanDerWaalsContact CE2-CD2 3.49Å; F278-L315 HydrophobicContact CE2-CG 4.22Å; F278-L315 HydrophobicContact CZ-CD1 4.43Å; F278-L315 HydrophobicContact CZ-CD2 4.05Å; F278-L320 HydrophobicContact CD2-CD2 4.43Å
279	P	92.4	Very high	93.9	Very high	13 Å²	13	44.8 Å²	44.8	8%	0.084	25%	0.245	C	C	.	.			trans	-75.2	139.3	-179.3	30.7	-36.4	0	0	0	112.2	I254 V259 L281 L291 Y303	I254-P279 HydrophobicContact CD1-CB 4.26Å; I254-P279 HydrophobicContact CD1-CG 3.98Å; V259-P279 HydrophobicContact CG2-CB 4.04Å; P279-L281 HydrophobicContact CB-CD2 4.25Å; P279-L281 HydrophobicContact CB-CG 4.47Å; P279-L281 HydrophobicContact CG-CD2 4.28Å; P279-L281 HydrophobicContact CG-CG 4.28Å; P279-L281 PolarHBondContact O-N 3.29Å; P279-L281 VanDerWaalsContact O-N 3.15Å; P279-L291 HydrophobicContact CG-CD1 3.83Å; P279-Y303 PolarHBondContact O-OH 2.72Å
280	N	92.3	Very high	93.9	Very high	117 Å²	117	44.7 Å²	44.7	63%	0.626	25%	0.245	S	C	*	.			trans	-86.3	77.9	176.3	-173.7	15.3	0	0	0	112.1	V259	V259-N280 VanDerWaalsContact CG1-C 3.42Å; V259-N280 WeakPolarHBondContact CG1-O 3.35Å
281	L	94	Very high	94	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.031	25%	0.245	C	C	.	.			trans	-64	131.9	-172.1	-61.2	171.4	0	0	0	113	V259 L267 P279 L286 L289 Y303	V259-L281 HydrophobicContact CG1-CD2 4.47Å; L267-L281 HydrophobicContact CD2-CD2 4.05Å; P279-L281 HydrophobicContact CB-CD2 4.25Å; P279-L281 HydrophobicContact CB-CG 4.47Å; P279-L281 HydrophobicContact CG-CD2 4.28Å; P279-L281 HydrophobicContact CG-CG 4.28Å; P279-L281 PolarHBondContact O-N 3.29Å; P279-L281 VanDerWaalsContact O-N 3.15Å; L281-L286 HydrophobicContact CD1-CD2 3.66Å; L281-L289 HydrophobicContact CD1-CD1 3.69Å; L281-L289 HydrophobicContact CD1-CD2 3.74Å; L281-L289 HydrophobicContact CD1-CG 4.35Å; L281-Y303 PolarHBondContact N-OH 3.16Å
282	S	94	Very high	94.2	Very high	49 Å²	49	42.7 Å²	42.7	34%	0.343	23%	0.234	S	C	.	.			trans	-80.9	-28	179.5	-60.1	0	0	0	0	113.4	V259 K284	V259-S282 WeakPolarHBondContact O-CB 3.32Å; V259-S282 PolarHBondContact O-N 3.45Å; V259-S282 PolarHBondContact O-OG 3.41Å; S282-K284 PolarHBondContact O-N 3.22Å
283	S	95.3	Very high	94.3	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.021	24%	0.244	C	C	.	.			trans	-65	125.2	-178.1	-171.8	0	0	0	0	112.7	L261 E262 L264	L261-S283 WeakPolarHBondContact O-CB 3.49Å; E262-S283 VanDerWaalsContact O-CB 3.31Å; E262-S283 WeakPolarHBondContact O-CB 3.28Å; E262-S283 PolarHBondContact O-OG 2.96Å; L264-S283 PolarHBondContact O-OG 3.46Å
284	K	93.8	Very high	94.5	Very high	143 Å²	143	40.2 Å²	40.2	62%	0.622	22%	0.216	S	C	*	.	S	Bend	trans	-89.8	-21.6	176	-57.7	-55.1	-179.9	-170.2	0	113.5	S282 L286 L307	S282-K284 PolarHBondContact O-N 3.22Å; K284-L286 VanDerWaalsContact C-N 3.31Å; K284-L286 PolarHBondContact O-N 2.85Å; K284-L307 HydrophobicContact CD-CD2 4.28Å
285	G	95.6	Very high	94.7	Very high	20 Å²	20	40.3 Å²	40.3	21%	0.206	22%	0.217	C	C	.	.	S	Bend	trans	-90.7	15.9	180	0	0	0	0	0	114.2	L265 K287	L265-G285 VanDerWaalsContact CD2-O 3.23Å; L265-G285 WeakPolarHBondContact CD2-O 3.47Å; G285-K287 PolarHBondContact O-N 3.26Å
286	L	97.5	Very high	94.9	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	22%	0.215	C	C	.	.			trans	-65	122.8	-175.7	-167.1	71.4	0	0	0	110.6	L264 L281 K284 L289 L307 D309 L310	L264-L286 HydrophobicContact CD2-CD1 4.47Å; L264-L286 HydrophobicContact CG-CD1 4.28Å; L264-L286 WeakPolarHBondContact O-CD1 3.34Å; L281-L286 HydrophobicContact CD1-CD2 3.66Å; K284-L286 VanDerWaalsContact C-N 3.31Å; K284-L286 PolarHBondContact O-N 2.85Å; L286-L289 HydrophobicContact CD2-CB 3.83Å; L286-L289 HydrophobicContact CD2-CD1 4.26Å; L286-L289 HydrophobicContact CD2-CD2 4.22Å; L286-L289 HydrophobicContact CD2-CG 4.32Å; L286-L307 HydrophobicContact CB-CD1 4.34Å; L286-L307 HydrophobicContact CD2-CD1 4.18Å; L286-D309 CarbonylContact O-C 3.58Å; L286-L310 HydrophobicContact CD2-CD1 4.46Å; L286-L310 HydrophobicContact CG-CD1 4.39Å; L286-L310 VanDerWaalsContact O-CA 3.23Å; L286-L310 WeakPolarHBondContact O-CA 3.34Å; L286-L310 PolarHBondContact O-N 2.93Å
287	K	96.7	Very high	95.2	Very high	85 Å²	85	35.4 Å²	35.4	37%	0.37	20%	0.203	S	C	.	.			trans	-100.8	-34	-177.4	-63.8	-179.7	-179.3	175.3	0	113.1	L265 G285 D309 K311 I312	L265-K287 WeakPolarHBondContact O-CA 3.2Å; L265-K287 PolarHBondContact O-N 3.21Å; G285-K287 PolarHBondContact O-N 3.26Å; K287-D309 WeakPolarHBondContact CA-O 3.11Å; K287-D309 HydrophobicContact CG-CB 4.42Å; K287-K311 PolarHBondContact O-N 3.43Å; K287-I312 PolarHBondContact O-N 3.26Å
288	R	96.7	Very high	95.4	Very high	40 Å²	40	32.6 Å²	32.6	15%	0.151	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	122	178.6	-55.6	-176.7	-171.5	-100.7	4.1	110	L265 E266 L267 I312 D453	L265-R288 PolarHBondContact O-N 3.4Å; L265-R288 VanDerWaalsContact O-N 3.11Å; E266-R288 WeakPolarHBondContact CA-O 3.38Å; E266-R288 HydrophobicContact CB-CB 4.4Å; E266-R288 HydrophobicContact CG-CB 4.07Å; E266-R288 HydrophobicContact CG-CG 4.21Å; L267-R288 PolarHBondContact N-O 3.26Å; R288-I312 HydrophobicContact CB-CB 4.41Å; R288-I312 HydrophobicContact CG-CB 4.25Å; R288-I312 HydrophobicContact CG-CG1 4.37Å; R288-D453 IonicContact NH1-OD2 2.68Å
289	L	97.6	Very high	95.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	116.5	172.5	-178.5	59.1	0	0	0	109.4	L267 F278 L281 L286 L291 I304 L310 I312 L313 D314	L267-L289 HydrophobicContact CB-CD1 4.04Å; L267-L289 HydrophobicContact CD2-CD1 4.01Å; L267-L289 HydrophobicContact CG-CD1 4.27Å; F278-L289 HydrophobicContact CE1-CD2 4.38Å; F278-L289 HydrophobicContact CZ-CD2 4.02Å; L281-L289 HydrophobicContact CD1-CD1 3.69Å; L281-L289 HydrophobicContact CD1-CD2 3.74Å; L281-L289 HydrophobicContact CD1-CG 4.35Å; L286-L289 HydrophobicContact CD2-CB 3.83Å; L286-L289 HydrophobicContact CD2-CD1 4.26Å; L286-L289 HydrophobicContact CD2-CD2 4.22Å; L286-L289 HydrophobicContact CD2-CG 4.32Å; L289-L291 HydrophobicContact CD1-CD1 4.08Å; L289-L291 HydrophobicContact CD1-CD2 4.25Å; L289-L291 HydrophobicContact CD1-CG 3.89Å; L289-L291 HydrophobicContact CD2-CD1 4.48Å; L289-L291 HydrophobicContact CG-CD1 4.39Å; L289-L291 HydrophobicContact CG-CG 4.26Å; L289-I304 HydrophobicContact CD2-CD1 3.55Å; L289-L310 HydrophobicContact CB-CD1 4.17Å; L289-I312 PolarHBondContact N-O 2.96Å; L289-L313 HydrophobicContact CB-CD1 4.22Å; L289-L313 HydrophobicContact CD2-CD1 3.99Å; L289-L313 HydrophobicContact CG-CD1 4.31Å; L289-L313 WeakPolarHBondContact O-CA 3.2Å; L289-D314 PolarHBondContact O-N 3.41Å
290	I	96.9	Very high	95.6	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	109.7	-178.1	-58.3	174.7	0	0	0	108.1	Y246 L267 S268 L269 R292 I312 D314 T455	Y246-I290 HydrophobicContact CE1-CB 4.49Å; Y246-I290 HydrophobicContact CE1-CG2 3.63Å; Y246-I290 WeakPolarHBondContact OH-CD1 3.17Å; L267-I290 PolarHBondContact O-N 3.31Å; S268-I290 CarbonylContact C-O 3.41Å; S268-I290 WeakPolarHBondContact CA-O 3.37Å; L269-I290 PolarHBondContact N-O 3.38Å; I290-R292 HydrophobicContact CG2-CB 4.46Å; I290-I312 HydrophobicContact CD1-CG2 4.42Å; I290-I312 HydrophobicContact CG1-CG2 4.36Å; I290-D314 WeakPolarHBondContact CA-O 2.96Å; I290-D314 HydrophobicContact CB-CB 4.14Å; I290-D314 HydrophobicContact CG1-CB 3.9Å; I290-D314 HydrophobicContact CG2-CB 3.88Å; I290-T455 HydrophobicContact CD1-CG2 4.18Å
291	L	97.1	Very high	95.7	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	69.9	179.6	-60.3	179	0	0	0	108.7	I254 L269 P279 L289 V294 L296 D314 L315 N318	I254-L291 HydrophobicContact CD1-CD2 4.18Å; L269-L291 HydrophobicContact CB-CD2 4.15Å; L269-L291 HydrophobicContact CD1-CD2 4.08Å; L269-L291 WeakPolarHBondContact O-CA 3.46Å; P279-L291 HydrophobicContact CG-CD1 3.83Å; L289-L291 HydrophobicContact CD1-CD1 4.08Å; L289-L291 HydrophobicContact CD1-CD2 4.25Å; L289-L291 HydrophobicContact CD1-CG 3.89Å; L289-L291 HydrophobicContact CD2-CD1 4.48Å; L289-L291 HydrophobicContact CG-CD1 4.39Å; L289-L291 HydrophobicContact CG-CG 4.26Å; L291-V294 HydrophobicContact CB-CG2 4.21Å; L291-L296 HydrophobicContact CB-CD1 3.89Å; L291-L296 HydrophobicContact CD1-CD1 4.03Å; L291-D314 PolarHBondContact N-O 3.49Å; L291-L315 HydrophobicContact CB-CD2 4.17Å; L291-N318 PolarHBondContact O-ND2 3.45Å
292	R	96.2	Very high	95.5	Very high	3 Å²	3	35.9 Å²	35.9	1%	0.011	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	132.6	-170.9	175.3	-178.1	85.1	-149.1	-0.8	112.3	L269 S270 D271 I290 V294 S316 F317 Y571 W572 A573	L269-R292 PolarHBondContact O-N 2.87Å; S270-R292 CarbonylContact C-O 3.57Å; S270-R292 WeakPolarHBondContact CA-O 3.39Å; S270-R292 PolarHBondContact OG-NH2 3.42Å; D271-R292 PolarHBondContact N-O 3.18Å; D271-R292 IonicContact OD2-CZ 2.68Å; D271-R292 IonicContact OD2-NE 3.52Å; D271-R292 PolarHBondContact OD2-NE 2.94Å; D271-R292 IonicContact OD2-NH2 3.22Å; D271-R292 PolarHBondContact OD2-NH2 3.29Å; I290-R292 HydrophobicContact CG2-CB 4.46Å; R292-V294 WeakPolarHBondContact O-CG1 3.23Å; R292-V294 PolarHBondContact O-N 3.23Å; R292-S316 CarbonylContact C-O 3.57Å; R292-S316 WeakPolarHBondContact CA-O 3.27Å; R292-S316 VanDerWaalsContact CG-OG 3.27Å; R292-S316 WeakPolarHBondContact CG-OG 2.97Å; R292-F317 HydrophobicContact CG-CD2 4.19Å; R292-Y571 WeakPolarHBondContact CD-OH 3.47Å; R292-Y571 PolarHBondContact NE-OH 3.27Å; R292-W572 PolarHBondContact NH1-O 3.14Å; R292-W572 VanDerWaalsContact NH1-O 3.1Å; R292-W572 PolarHBondContact NH2-O 2.96Å; R292-A573 PolarHBondContact NH2-O 2.85Å
293	N	96.3	Very high	95.3	Very high	65 Å²	65	35.3 Å²	35.3	35%	0.348	21%	0.208	S	C	.	.	S	Bend	trans	50.3	47.1	173.8	-166.4	25.2	0	0	0	112.5	D271 T272 S316 F317	D271-N293 WeakPolarHBondContact CA-O 3.34Å; D271-N293 PolarHBondContact N-O 3.15Å; D271-N293 PolarHBondContact OD1-ND2 3.03Å; T272-N293 PolarHBondContact N-O 2.73Å; N293-S316 PolarHBondContact N-O 2.82Å; N293-F317 VanDerWaalsContact CA-O 3.25Å; N293-F317 WeakPolarHBondContact CA-O 3.41Å; N293-F317 HydrophobicContact CB-CB 3.92Å
294	V	95.6	Very high	95.2	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	21%	0.207	C	C	.	.	S	Bend	trans	-112.8	5.2	-179.6	-51.7	0	0	0	0	113.1	L269 T272 I275 L291 R292 L296 N318	L269-V294 HydrophobicContact CB-CG1 4.33Å; T272-V294 HydrophobicContact CG2-CB 3.99Å; T272-V294 HydrophobicContact CG2-CG1 3.59Å; T272-V294 WeakPolarHBondContact O-CA 3.47Å; I275-V294 HydrophobicContact CB-CB 4.34Å; I275-V294 HydrophobicContact CB-CG2 4.18Å; I275-V294 HydrophobicContact CG1-CB 3.85Å; I275-V294 HydrophobicContact CG1-CG2 4.11Å; I275-V294 HydrophobicContact CG2-CG2 4.4Å; L291-V294 HydrophobicContact CB-CG2 4.21Å; R292-V294 WeakPolarHBondContact O-CG1 3.23Å; R292-V294 PolarHBondContact O-N 3.23Å; V294-L296 HydrophobicContact CG2-CD1 4.19Å; V294-L296 HydrophobicContact CG2-CD2 3.79Å; V294-L296 HydrophobicContact CG2-CG 3.56Å; V294-N318 PolarHBondContact N-OD1 3.16Å; V294-N318 VanDerWaalsContact N-OD1 3.08Å
295	G	94.6	Very high	95.1	Very high	36 Å²	36	29 Å²	29	37%	0.371	18%	0.179	S	C	.	.			trans	75.6	27.4	177.9	0	0	0	0	0	114.2	K276 N318	K276-G295 WeakPolarHBondContact CA-O 3.48Å; G295-N318 PolarHBondContact N-OD1 2.98Å
296	L	96.4	Very high	94.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.198	C	C	.	.			trans	-60.3	142.2	173.8	-58.2	-179.7	0	0	0	110.5	I275 S277 F278 L291 V294 L315 N318 K319 L320	I275-L296 HydrophobicContact CB-CD2 4.29Å; I275-L296 HydrophobicContact CG2-CD2 3.63Å; S277-L296 VanDerWaalsContact O-CD2 3.31Å; S277-L296 WeakPolarHBondContact O-CD2 3.47Å; F278-L296 HydrophobicContact CD2-CD1 4.04Å; F278-L296 HydrophobicContact CE2-CD1 4.49Å; L291-L296 HydrophobicContact CB-CD1 3.89Å; L291-L296 HydrophobicContact CD1-CD1 4.03Å; V294-L296 HydrophobicContact CG2-CD1 4.19Å; V294-L296 HydrophobicContact CG2-CD2 3.79Å; V294-L296 HydrophobicContact CG2-CG 3.56Å; L296-L315 HydrophobicContact CD1-CD2 4.32Å; L296-N318 HydrophobicContact CB-CB 3.99Å; L296-N318 PolarHBondContact N-OD1 3.29Å; L296-K319 CarbonylContact O-C 3.04Å; L296-K319 VanDerWaalsContact O-C 3.29Å; L296-K319 VanDerWaalsContact O-CA 3.25Å; L296-K319 WeakPolarHBondContact O-CA 3.38Å; L296-K319 WeakPolarHBondContact O-CB 3.27Å; L296-K319 PolarHBondContact O-N 3.11Å; L296-L320 HydrophobicContact CB-CD2 3.83Å; L296-L320 HydrophobicContact CB-CG 4.15Å; L296-L320 PolarHBondContact O-N 3.3Å
297	S	95.9	Very high	94.7	Very high	57 Å²	57	33.7 Å²	33.7	40%	0.399	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	165.4	176.3	62.3	0	0	0	0	110.8	K276	K276-S297 PolarHBondContact O-N 2.96Å; K276-S297 PolarHBondContact O-OG 3.44Å
298	G	95.2	Very high	94.5	Very high	18 Å²	18	35.2 Å²	35.2	19%	0.186	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85.8	-173.9	-173.7	0	0	0	0	0	113.1	L320 N321	G298-L320 VanDerWaalsContact O-CA 3.3Å; G298-L320 WeakPolarHBondContact O-CA 3.36Å; G298-L320 WeakPolarHBondContact O-CD2 3.13Å; G298-N321 VanDerWaalsContact C-OD1 3.25Å; G298-N321 WeakPolarHBondContact CA-OD1 3.44Å; G298-N321 PolarHBondContact O-N 3.08Å
299	P	95	Very high	94.4	Very high	87 Å²	87	37 Å²	37	57%	0.565	23%	0.229	S	C	*	.	P	Polyproline II helix	trans	-73.9	153.1	-178.2	30.8	-35.2	0	0	0	112.7	P301 N321	P299-P301 VanDerWaalsContact O-CD 3.3Å; P299-P301 WeakPolarHBondContact O-CD 3.38Å; P299-N321 VanDerWaalsContact CA-O 3.31Å; P299-N321 WeakPolarHBondContact CA-O 2.91Å
300	I	94.9	Very high	94.3	Very high	16 Å²	16	37.5 Å²	37.5	8%	0.082	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-68	120	167.2	-60.4	172.8	0	0	0	107.9	S302 I304 W305 L315 L320 V324 L336 L341	I300-S302 PolarHBondContact O-N 3.36Å; I300-I304 HydrophobicContact CG2-CG2 3.71Å; I300-W305 HydrophobicContact CD1-CZ2 4.41Å; I300-W305 HydrophobicContact CG2-CZ2 3.87Å; I300-L315 HydrophobicContact CD1-CD1 4.02Å; I300-L315 HydrophobicContact CG1-CD1 4.12Å; I300-L315 HydrophobicContact CG2-CD1 4.3Å; I300-L320 HydrophobicContact CG1-CD1 4.09Å; I300-V324 HydrophobicContact CD1-CG2 4.48Å; I300-L336 HydrophobicContact CD1-CD1 4.4Å; I300-L336 HydrophobicContact CD1-CD2 3.87Å; I300-L341 HydrophobicContact CD1-CD1 4Å; I300-L341 HydrophobicContact CD1-CD2 4.02Å; I300-L341 HydrophobicContact CG1-CD2 4.28Å
301	P	93.4	Very high	94.2	Very high	37 Å²	37	43 Å²	43	24%	0.24	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-64.3	134.6	-178.8	-24	35.8	0	0	0	112.3	F278 P299 Y303 I304	F278-P301 HydrophobicContact CB-CG 3.86Å; F278-P301 HydrophobicContact CD1-CG 3.65Å; F278-P301 HydrophobicContact CD2-CG 4.44Å; F278-P301 HydrophobicContact CE1-CG 4.34Å; F278-P301 VanDerWaalsContact CG-CD 3.46Å; F278-P301 HydrophobicContact CG-CG 3.73Å; P299-P301 VanDerWaalsContact O-CD 3.3Å; P299-P301 WeakPolarHBondContact O-CD 3.38Å; P301-Y303 HydrophobicContact CB-CD1 3.49Å; P301-Y303 VanDerWaalsContact CB-CD1 3.49Å; P301-Y303 HydrophobicContact CB-CE1 3.48Å; P301-Y303 VanDerWaalsContact CB-CE1 3.48Å; P301-Y303 HydrophobicContact CG-CE1 4.06Å; P301-Y303 PolarHBondContact O-N 3.48Å; P301-Y303 VanDerWaalsContact O-N 3.16Å; P301-I304 WeakPolarHBondContact O-CG2 3.38Å; P301-I304 PolarHBondContact O-N 3.28Å
302	S	89.9	Confident	94.1	Very high	87 Å²	87	43 Å²	43	61%	0.608	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-63	-25.9	-174.5	56.9	0	0	0	0	114.6	I300 I304 W305	I300-S302 PolarHBondContact O-N 3.36Å; S302-I304 PolarHBondContact O-N 2.98Å; S302-I304 VanDerWaalsContact O-N 3.16Å; S302-W305 PolarHBondContact O-N 2.96Å
303	Y	91.4	Very high	94.2	Very high	38 Å²	38	42.9 Å²	42.9	15%	0.149	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-60.7	-25.5	179.2	84.7	-94.9	0	0	0	112.7	F278 P279 L281 P301 W305 N306 L307	F278-Y303 WeakPolarHBondContact CE1-OH 3.37Å; P279-Y303 PolarHBondContact O-OH 2.72Å; L281-Y303 PolarHBondContact N-OH 3.16Å; P301-Y303 HydrophobicContact CB-CD1 3.49Å; P301-Y303 VanDerWaalsContact CB-CD1 3.49Å; P301-Y303 HydrophobicContact CB-CE1 3.48Å; P301-Y303 VanDerWaalsContact CB-CE1 3.48Å; P301-Y303 HydrophobicContact CG-CE1 4.06Å; P301-Y303 PolarHBondContact O-N 3.48Å; P301-Y303 VanDerWaalsContact O-N 3.16Å; Y303-W305 PolarHBondContact O-N 2.66Å; Y303-N306 WeakPolarHBondContact O-CB 3.46Å; Y303-N306 PolarHBondContact O-N 2.92Å; Y303-L307 HydrophobicContact CE2-CD1 4.49Å
304	I	93.1	Very high	94.3	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-61.9	-34.6	-178.8	-161.1	72	0	0	0	111.2	F278 L289 I300 P301 S302 N306 L307 L310 L313	F278-I304 HydrophobicContact CE1-CD1 4.33Å; F278-I304 HydrophobicContact CZ-CD1 4.11Å; F278-I304 HydrophobicContact CZ-CG1 4.4Å; L289-I304 HydrophobicContact CD2-CD1 3.55Å; I300-I304 HydrophobicContact CG2-CG2 3.71Å; P301-I304 WeakPolarHBondContact O-CG2 3.38Å; P301-I304 PolarHBondContact O-N 3.28Å; S302-I304 PolarHBondContact O-N 2.98Å; S302-I304 VanDerWaalsContact O-N 3.16Å; I304-N306 PolarHBondContact O-N 2.84Å; I304-L307 HydrophobicContact CD1-CD1 3.69Å; I304-L307 PolarHBondContact O-N 3.41Å; I304-L310 HydrophobicContact CD1-CD2 4.24Å; I304-L310 HydrophobicContact CG1-CD2 4.08Å; I304-L313 HydrophobicContact CD1-CD1 4.29Å; I304-L313 HydrophobicContact CG1-CD1 3.99Å; I304-L313 HydrophobicContact CG1-CD2 4.05Å; I304-L313 HydrophobicContact CG2-CD2 4.43Å
305	W	90.6	Very high	94.4	Very high	11 Å²	11	40.1 Å²	40.1	4%	0.042	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-73.9	-12.3	179.6	-50.3	121.2	0	0	0	112.8	I300 S302 Y303 L313 V324 Q325 V327 I334	I300-W305 HydrophobicContact CD1-CZ2 4.41Å; I300-W305 HydrophobicContact CG2-CZ2 3.87Å; S302-W305 PolarHBondContact O-N 2.96Å; Y303-W305 PolarHBondContact O-N 2.66Å; W305-L313 HydrophobicContact CH2-CD2 3.92Å; W305-L313 HydrophobicContact CZ3-CD2 3.8Å; W305-V324 HydrophobicContact CH2-CG1 4.23Å; W305-V324 HydrophobicContact CZ2-CG1 3.8Å; W305-Q325 PolarHBondContact NE1-O 3.48Å; W305-V327 HydrophobicContact CD2-CG2 3.74Å; W305-V327 HydrophobicContact CE3-CG1 4.25Å; W305-V327 HydrophobicContact CE3-CG2 3.95Å; W305-V327 HydrophobicContact CG-CG2 4.18Å; W305-V327 HydrophobicContact CH2-CG2 4.32Å; W305-V327 HydrophobicContact CZ2-CG2 4.13Å; W305-V327 HydrophobicContact CZ3-CG2 4.23Å; W305-I334 HydrophobicContact CZ3-CD1 4.26Å
306	N	91.3	Very high	94.6	Very high	110 Å²	110	38.4 Å²	38.4	59%	0.588	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-94	-0.3	176.3	-65.4	-15	0	0	0	112.9	Y303 I304 T308	Y303-N306 WeakPolarHBondContact O-CB 3.46Å; Y303-N306 PolarHBondContact O-N 2.92Å; I304-N306 PolarHBondContact O-N 2.84Å; N306-T308 PolarHBondContact O-N 3.35Å; N306-T308 VanDerWaalsContact O-N 3.15Å
307	L	93.3	Very high	94.6	Very high	11 Å²	11	40 Å²	40	6%	0.058	23%	0.23	C	C	.	.			trans	-79.2	93.4	175.5	-62.1	-178.1	0	0	0	109.8	K284 L286 Y303 I304 D309 L310	K284-L307 HydrophobicContact CD-CD2 4.28Å; L286-L307 HydrophobicContact CB-CD1 4.34Å; L286-L307 HydrophobicContact CD2-CD1 4.18Å; Y303-L307 HydrophobicContact CE2-CD1 4.49Å; I304-L307 HydrophobicContact CD1-CD1 3.69Å; I304-L307 PolarHBondContact O-N 3.41Å; L307-D309 VanDerWaalsContact C-N 3.25Å; L307-D309 PolarHBondContact O-N 2.69Å; L307-L310 HydrophobicContact CB-CB 3.9Å; L307-L310 HydrophobicContact CB-CD2 4.41Å; L307-L310 HydrophobicContact CD1-CD2 4.41Å; L307-L310 VanDerWaalsContact O-CB 3.24Å; L307-L310 WeakPolarHBondContact O-CB 3.3Å; L307-L310 PolarHBondContact O-N 2.9Å; L307-L310 VanDerWaalsContact O-N 3.13Å
308	T	92.3	Very high	94.6	Very high	116 Å²	116	37.9 Å²	37.9	71%	0.712	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-26.6	-172.3	54.4	0	0	0	0	114.4	N306 L310	N306-T308 PolarHBondContact O-N 3.35Å; N306-T308 VanDerWaalsContact O-N 3.15Å; T308-L310 VanDerWaalsContact C-N 3.34Å
309	D	95.1	Very high	94.7	Very high	79 Å²	79	43.5 Å²	43.5	42%	0.422	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-6.4	-179.4	-70.6	-2.8	0	0	0	112.9	L286 K287 L307 K311	L286-D309 CarbonylContact O-C 3.58Å; K287-D309 WeakPolarHBondContact CA-O 3.11Å; K287-D309 HydrophobicContact CG-CB 4.42Å; L307-D309 VanDerWaalsContact C-N 3.25Å; L307-D309 PolarHBondContact O-N 2.69Å; D309-K311 PolarHBondContact O-N 3.29Å
310	L	95.9	Very high	94.8	Very high	9 Å²	9	39.3 Å²	39.3	5%	0.047	21%	0.206	C	C	.	.			trans	-70.4	115.8	-174.2	-169.8	66	0	0	0	110.5	L286 L289 I304 L307 T308 I312 L313 P331	L286-L310 HydrophobicContact CD2-CD1 4.46Å; L286-L310 HydrophobicContact CG-CD1 4.39Å; L286-L310 VanDerWaalsContact O-CA 3.23Å; L286-L310 WeakPolarHBondContact O-CA 3.34Å; L286-L310 PolarHBondContact O-N 2.93Å; L289-L310 HydrophobicContact CB-CD1 4.17Å; I304-L310 HydrophobicContact CD1-CD2 4.24Å; I304-L310 HydrophobicContact CG1-CD2 4.08Å; L307-L310 HydrophobicContact CB-CB 3.9Å; L307-L310 HydrophobicContact CB-CD2 4.41Å; L307-L310 HydrophobicContact CD1-CD2 4.41Å; L307-L310 VanDerWaalsContact O-CB 3.24Å; L307-L310 WeakPolarHBondContact O-CB 3.3Å; L307-L310 PolarHBondContact O-N 2.9Å; L307-L310 VanDerWaalsContact O-N 3.13Å; T308-L310 VanDerWaalsContact C-N 3.34Å; L310-I312 WeakPolarHBondContact CD1-O 3.5Å; L310-L313 HydrophobicContact CD2-CB 4.15Å; L310-L313 HydrophobicContact CD2-CD1 4.41Å; L310-P331 HydrophobicContact CB-CG 4.16Å; L310-P331 HydrophobicContact CD2-CG 3.73Å; L310-P331 HydrophobicContact CG-CB 4.37Å; L310-P331 HydrophobicContact CG-CG 3.85Å; L310-P331 WeakPolarHBondContact O-CA 3.37Å; L310-P331 VanDerWaalsContact O-CB 3.31Å; L310-P331 WeakPolarHBondContact O-CB 3.33Å
311	K	94.5	Very high	94.8	Very high	121 Å²	121	41.9 Å²	41.9	53%	0.526	22%	0.22	S	C	.	.			trans	-98.6	-36.9	178.8	-61.6	-171.9	177	-170.2	0	112.4	K287 D309 K332 N333	K287-K311 PolarHBondContact O-N 3.43Å; D309-K311 PolarHBondContact O-N 3.29Å; K311-K332 WeakPolarHBondContact O-CB 3.42Å; K311-K332 PolarHBondContact O-N 3.49Å; K311-N333 PolarHBondContact O-N 3.18Å
312	I	96	Very high	94.8	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	126	-179.9	-55.3	-154.6	0	0	0	110.4	K287 R288 L289 I290 L310 N333 Y335 D453 T455	K287-I312 PolarHBondContact O-N 3.26Å; R288-I312 HydrophobicContact CB-CB 4.41Å; R288-I312 HydrophobicContact CG-CB 4.25Å; R288-I312 HydrophobicContact CG-CG1 4.37Å; L289-I312 PolarHBondContact N-O 2.96Å; I290-I312 HydrophobicContact CD1-CG2 4.42Å; I290-I312 HydrophobicContact CG1-CG2 4.36Å; L310-I312 WeakPolarHBondContact CD1-O 3.5Å; I312-N333 WeakPolarHBondContact CA-O 3.1Å; I312-N333 HydrophobicContact CB-CB 4.42Å; I312-N333 HydrophobicContact CD1-CB 4.19Å; I312-N333 WeakPolarHBondContact CD1-ND2 3.06Å; I312-N333 HydrophobicContact CG1-CB 4Å; I312-N333 HydrophobicContact CG2-CB 4.27Å; I312-Y335 HydrophobicContact CG2-CE2 4.46Å; I312-D453 HydrophobicContact CD1-CB 4.29Å; I312-D453 VanDerWaalsContact CD1-OD2 3.32Å; I312-D453 WeakPolarHBondContact CD1-OD2 3.49Å; I312-T455 HydrophobicContact CD1-CG2 3.68Å
313	L	97.5	Very high	94.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	106.9	169.2	-179.9	61.4	0	0	0	109.3	L289 I304 W305 L310 L315 P331 N333 I334 Y335	L289-L313 HydrophobicContact CB-CD1 4.22Å; L289-L313 HydrophobicContact CD2-CD1 3.99Å; L289-L313 HydrophobicContact CG-CD1 4.31Å; L289-L313 WeakPolarHBondContact O-CA 3.2Å; I304-L313 HydrophobicContact CD1-CD1 4.29Å; I304-L313 HydrophobicContact CG1-CD1 3.99Å; I304-L313 HydrophobicContact CG1-CD2 4.05Å; I304-L313 HydrophobicContact CG2-CD2 4.43Å; W305-L313 HydrophobicContact CH2-CD2 3.92Å; W305-L313 HydrophobicContact CZ3-CD2 3.8Å; L310-L313 HydrophobicContact CD2-CB 4.15Å; L310-L313 HydrophobicContact CD2-CD1 4.41Å; L313-L315 HydrophobicContact CD1-CD1 4.03Å; L313-L315 HydrophobicContact CD1-CD2 3.96Å; L313-L315 HydrophobicContact CD1-CG 3.84Å; L313-L315 HydrophobicContact CD2-CD1 4.2Å; L313-L315 HydrophobicContact CG-CD1 4.12Å; L313-L315 HydrophobicContact CG-CG 4.06Å; L313-P331 HydrophobicContact CB-CG 4.3Å; L313-N333 PolarHBondContact N-O 3.44Å; L313-I334 CarbonylContact O-C 3.54Å; L313-I334 WeakPolarHBondContact O-CA 3.5Å; L313-Y335 PolarHBondContact O-N 3.23Å
314	D	97.8	Very high	94.9	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.043	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	111.7	175.1	-174.6	-8	0	0	0	109.9	L289 I290 L291 S316 Y335	L289-D314 PolarHBondContact O-N 3.41Å; I290-D314 WeakPolarHBondContact CA-O 2.96Å; I290-D314 HydrophobicContact CB-CB 4.14Å; I290-D314 HydrophobicContact CG1-CB 3.9Å; I290-D314 HydrophobicContact CG2-CB 3.88Å; L291-D314 PolarHBondContact N-O 3.49Å; D314-S316 WeakPolarHBondContact OD1-CB 3.05Å; D314-S316 PolarHBondContact OD1-N 3.45Å; D314-S316 PolarHBondContact OD1-OG 3.42Å; D314-Y335 HydrophobicContact CB-CD2 3.87Å
315	L	98	Very high	94.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.24	C	C	.	.			trans	-120.9	24	177.3	-56.1	175.4	0	0	0	110.9	F278 L291 L296 I300 L313 N318 L320 Y335 L336 N339	F278-L315 HydrophobicContact CD2-CD2 4.43Å; F278-L315 HydrophobicContact CE2-CD1 3.66Å; F278-L315 HydrophobicContact CE2-CD2 3.49Å; F278-L315 VanDerWaalsContact CE2-CD2 3.49Å; F278-L315 HydrophobicContact CE2-CG 4.22Å; F278-L315 HydrophobicContact CZ-CD1 4.43Å; F278-L315 HydrophobicContact CZ-CD2 4.05Å; L291-L315 HydrophobicContact CB-CD2 4.17Å; L296-L315 HydrophobicContact CD1-CD2 4.32Å; I300-L315 HydrophobicContact CD1-CD1 4.02Å; I300-L315 HydrophobicContact CG1-CD1 4.12Å; I300-L315 HydrophobicContact CG2-CD1 4.3Å; L313-L315 HydrophobicContact CD1-CD1 4.03Å; L313-L315 HydrophobicContact CD1-CD2 3.96Å; L313-L315 HydrophobicContact CD1-CG 3.84Å; L313-L315 HydrophobicContact CD2-CD1 4.2Å; L313-L315 HydrophobicContact CG-CD1 4.12Å; L313-L315 HydrophobicContact CG-CG 4.06Å; L315-N318 PolarHBondContact O-ND2 3.26Å; L315-L320 HydrophobicContact CB-CD1 3.75Å; L315-L320 HydrophobicContact CD1-CD1 4.01Å; L315-L320 HydrophobicContact CG-CD1 4.41Å; L315-Y335 CarbonylContact C-O 3.55Å; L315-Y335 PolarHBondContact N-O 3.25Å; L315-L336 HydrophobicContact CB-CD2 4.13Å; L315-L336 HydrophobicContact CD1-CD2 4.04Å; L315-L336 HydrophobicContact CG-CD2 4.45Å; L315-N339 PolarHBondContact O-ND2 3.06Å
316	S	98.1	Very high	93.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.262	C	S	.	.			trans	-64.1	152.4	-173.3	57.5	0	0	0	0	113.3	R292 N293 D314 N318 Y335 T337	R292-S316 CarbonylContact C-O 3.57Å; R292-S316 WeakPolarHBondContact CA-O 3.27Å; R292-S316 VanDerWaalsContact CG-OG 3.27Å; R292-S316 WeakPolarHBondContact CG-OG 2.97Å; N293-S316 PolarHBondContact N-O 2.82Å; D314-S316 WeakPolarHBondContact OD1-CB 3.05Å; D314-S316 PolarHBondContact OD1-N 3.45Å; D314-S316 PolarHBondContact OD1-OG 3.42Å; S316-N318 PolarHBondContact O-N 3.14Å; S316-N318 PolarHBondContact O-ND2 2.94Å; S316-N318 VanDerWaalsContact O-ND2 3.15Å; S316-Y335 PolarHBondContact N-O 3.49Å; S316-T337 CarbonylContact C-O 3.36Å; S316-T337 VanDerWaalsContact CA-O 3.23Å; S316-T337 WeakPolarHBondContact CA-O 3.28Å
317	F	96.8	Very high	93.6	Very high	33 Å²	33	43.7 Å²	43.7	15%	0.145	24%	0.238	C	C	.	.	S	Bend	trans	58.5	42.5	174.2	-56.2	-72.1	0	0	0	114.3	R292 N293 T337 G338 L488 Y571	R292-F317 HydrophobicContact CG-CD2 4.19Å; N293-F317 VanDerWaalsContact CA-O 3.25Å; N293-F317 WeakPolarHBondContact CA-O 3.41Å; N293-F317 HydrophobicContact CB-CB 3.92Å; F317-T337 HydrophobicContact CD2-CG2 4.39Å; F317-T337 HydrophobicContact CE1-CG2 4.46Å; F317-T337 HydrophobicContact CE2-CG2 3.82Å; F317-T337 HydrophobicContact CZ-CG2 3.86Å; F317-T337 PolarHBondContact N-O 2.79Å; F317-G338 CarbonylContact C-O 3.59Å; F317-G338 VanDerWaalsContact CA-O 3.23Å; F317-G338 WeakPolarHBondContact CA-O 3.29Å; F317-G338 PolarHBondContact N-O 3.06Å; F317-L488 HydrophobicContact CE2-CD1 4.16Å; F317-L488 HydrophobicContact CE2-CG 4.42Å; F317-Y571 HydrophobicContact CD2-CD2 4.25Å; F317-Y571 AromaticContact CD2-CE2 3.6Å; F317-Y571 HydrophobicContact CD2-CE2 3.6Å; F317-Y571 AromaticContact CE2-CD2 3.74Å; F317-Y571 HydrophobicContact CE2-CD2 3.74Å; F317-Y571 AromaticContact CE2-CE2 3.52Å; F317-Y571 HydrophobicContact CE2-CE2 3.52Å; F317-Y571 HydrophobicContact CG-CE2 4.39Å; F317-Y571 HydrophobicContact CZ-CD2 4.08Å; F317-Y571 HydrophobicContact CZ-CE2 4.26Å
318	N	97.6	Very high	93	Very high	12 Å²	12	50.6 Å²	50.6	6%	0.064	27%	0.27	C	S	.	.	S	Bend	trans	-113.3	-162.4	176.2	-73.4	-68.6	0	0	0	111.1	L291 V294 G295 L296 L315 S316 L320 G338 N339	L291-N318 PolarHBondContact O-ND2 3.45Å; V294-N318 PolarHBondContact N-OD1 3.16Å; V294-N318 VanDerWaalsContact N-OD1 3.08Å; G295-N318 PolarHBondContact N-OD1 2.98Å; L296-N318 HydrophobicContact CB-CB 3.99Å; L296-N318 PolarHBondContact N-OD1 3.29Å; L315-N318 PolarHBondContact O-ND2 3.26Å; S316-N318 PolarHBondContact O-N 3.14Å; S316-N318 PolarHBondContact O-ND2 2.94Å; S316-N318 VanDerWaalsContact O-ND2 3.15Å; N318-L320 HydrophobicContact CB-CD1 4.39Å; N318-L320 HydrophobicContact CB-CG 4.18Å; N318-G338 PolarHBondContact N-O 3.19Å; N318-G338 VanDerWaalsContact N-O 3.07Å; N318-N339 WeakPolarHBondContact CA-OD1 3.37Å; N318-N339 WeakPolarHBondContact CB-OD1 3.3Å; N318-N339 PolarHBondContact N-OD1 2.68Å; N318-N339 PolarHBondContact O-OD1 2.65Å
319	K	96.7	Very high	92.6	Very high	136 Å²	136	50.7 Å²	50.7	59%	0.591	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	29	176.3	-55.5	-179	-178.5	-178	0	110.9	L296 L340	L296-K319 CarbonylContact O-C 3.04Å; L296-K319 VanDerWaalsContact O-C 3.29Å; L296-K319 VanDerWaalsContact O-CA 3.25Å; L296-K319 WeakPolarHBondContact O-CA 3.38Å; L296-K319 WeakPolarHBondContact O-CB 3.27Å; L296-K319 PolarHBondContact O-N 3.11Å; K319-L340 HydrophobicContact CB-CD1 4.47Å
320	L	97	Very high	92.4	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	138.8	-179.9	-64.3	165.3	0	0	0	109.6	F278 L296 G298 I300 L315 N318 N339 L340 L341	F278-L320 HydrophobicContact CD2-CD2 4.43Å; L296-L320 HydrophobicContact CB-CD2 3.83Å; L296-L320 HydrophobicContact CB-CG 4.15Å; L296-L320 PolarHBondContact O-N 3.3Å; G298-L320 VanDerWaalsContact O-CA 3.3Å; G298-L320 WeakPolarHBondContact O-CA 3.36Å; G298-L320 WeakPolarHBondContact O-CD2 3.13Å; I300-L320 HydrophobicContact CG1-CD1 4.09Å; L315-L320 HydrophobicContact CB-CD1 3.75Å; L315-L320 HydrophobicContact CD1-CD1 4.01Å; L315-L320 HydrophobicContact CG-CD1 4.41Å; N318-L320 HydrophobicContact CB-CD1 4.39Å; N318-L320 HydrophobicContact CB-CG 4.18Å; L320-N339 HydrophobicContact CB-CB 4.4Å; L320-N339 VanDerWaalsContact CB-OD1 3.3Å; L320-N339 WeakPolarHBondContact CB-OD1 3.28Å; L320-N339 PolarHBondContact N-OD1 3.23Å; L320-L340 CarbonylContact O-C 3.49Å; L320-L340 VanDerWaalsContact O-C 3.22Å; L320-L340 VanDerWaalsContact O-CA 3.24Å; L320-L340 WeakPolarHBondContact O-CA 3.49Å; L320-L340 WeakPolarHBondContact O-CB 3.3Å; L320-L340 PolarHBondContact O-N 2.83Å; L320-L341 HydrophobicContact CB-CD2 4.13Å; L320-L341 PolarHBondContact O-N 3.44Å
321	N	95.6	Very high	92.2	Very high	70 Å²	70	47.9 Å²	47.9	37%	0.374	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	-178.1	-176.1	64.1	28.8	0	0	0	111.2	G298 P299 L340	G298-N321 VanDerWaalsContact C-OD1 3.25Å; G298-N321 WeakPolarHBondContact CA-OD1 3.44Å; G298-N321 PolarHBondContact O-N 3.08Å; P299-N321 VanDerWaalsContact CA-O 3.31Å; P299-N321 WeakPolarHBondContact CA-O 2.91Å; N321-L340 HydrophobicContact CB-CB 4.17Å
322	G	92.8	Very high	92.2	Very high	26 Å²	26	45.6 Å²	45.6	27%	0.268	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	82.2	-164	-176.6	0	0	0	0	0	113.1	S342	G322-S342 PolarHBondContact O-N 3.01Å
323	I	91.9	Very high	92.2	Very high	85 Å²	85	45.7 Å²	45.7	44%	0.436	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	140.5	-168.9	-48.9	166	0	0	0	110	Q325 S342	I323-Q325 HydrophobicContact CB-CG 4.06Å; I323-Q325 HydrophobicContact CG2-CG 3.59Å; I323-Q325 PolarHBondContact O-N 2.9Å; I323-S342 WeakPolarHBondContact CA-O 3.47Å
324	V	90.8	Very high	92.1	Very high	14 Å²	14	45.7 Å²	45.7	9%	0.085	24%	0.243	C	C	.	.			trans	-81.9	99	171.8	-176.4	0	0	0	0	109	I300 W305 V327 L336 L341 I345 L350 F364	I300-V324 HydrophobicContact CD1-CG2 4.48Å; W305-V324 HydrophobicContact CH2-CG1 4.23Å; W305-V324 HydrophobicContact CZ2-CG1 3.8Å; V324-V327 HydrophobicContact CG1-CG2 3.85Å; V324-L336 HydrophobicContact CG2-CD1 4.16Å; V324-L341 HydrophobicContact CG2-CD1 4.13Å; V324-L341 HydrophobicContact CG2-CD2 4.45Å; V324-I345 HydrophobicContact CB-CD1 4.41Å; V324-L350 HydrophobicContact CG1-CD2 4.02Å; V324-F364 HydrophobicContact CG2-CE1 4.03Å; V324-F364 HydrophobicContact CG2-CZ 4.09Å
325	Q	83.3	Confident	92.1	Very high	134 Å²	134	45.5 Å²	45.5	63%	0.626	24%	0.242	S	C	*	.			trans	-126.6	162.6	-179.6	-62.8	-172.6	-20.7	0	0	111.8	W305 I323	W305-Q325 PolarHBondContact NE1-O 3.48Å; I323-Q325 HydrophobicContact CB-CG 4.06Å; I323-Q325 HydrophobicContact CG2-CG 3.59Å; I323-Q325 PolarHBondContact O-N 2.9Å
326	G	79.8	Confident	92.1	Very high	50 Å²	50	45.5 Å²	45.5	52%	0.515	24%	0.242	S	C	.	.			trans	79.2	14.1	175.4	0	0	0	0	0	115	Q328	G326-Q328 PolarHBondContact O-N 3.25Å
327	V	84.6	Confident	92	Very high	13 Å²	13	45.5 Å²	45.5	8%	0.079	24%	0.242	C	C	.	.			trans	-79.5	99.6	178.9	-170.5	0	0	0	0	109.8	W305 V324 P330 L350	W305-V327 HydrophobicContact CD2-CG2 3.74Å; W305-V327 HydrophobicContact CE3-CG1 4.25Å; W305-V327 HydrophobicContact CE3-CG2 3.95Å; W305-V327 HydrophobicContact CG-CG2 4.18Å; W305-V327 HydrophobicContact CH2-CG2 4.32Å; W305-V327 HydrophobicContact CZ2-CG2 4.13Å; W305-V327 HydrophobicContact CZ3-CG2 4.23Å; V324-V327 HydrophobicContact CG1-CG2 3.85Å; V327-P330 HydrophobicContact CG1-CB 3.66Å; V327-P330 HydrophobicContact CG1-CG 4.09Å; V327-L350 HydrophobicContact CB-CB 4.3Å; V327-L350 HydrophobicContact CG1-CB 4.16Å; V327-L350 HydrophobicContact CG1-CD1 4.03Å; V327-L350 HydrophobicContact CG2-CB 4.41Å
328	Q	81	Confident	92	Very high	156 Å²	156	44.8 Å²	44.8	73%	0.729	24%	0.244	S	C	*	.	S	Bend	trans	-92.1	-49.9	172.4	-68.2	-175.1	-12.8	0	0	111.7	G326	G326-Q328 PolarHBondContact O-N 3.25Å
329	N	84.8	Confident	92	Very high	118 Å²	118	44.7 Å²	44.7	63%	0.631	24%	0.243	S	C	*	.	S	Bend	trans	-124.4	83.9	-179.4	-65.3	-41.2	0	0	0	109.5
330	P	89.5	Confident	91.9	Very high	23 Å²	23	42.5 Å²	42.5	15%	0.149	24%	0.237	C	C	.	.			trans	-62.7	141.2	-179.8	22.7	-29.5	0	0	0	111.6	V327 I334 L350 S353	V327-P330 HydrophobicContact CG1-CB 3.66Å; V327-P330 HydrophobicContact CG1-CG 4.09Å; P330-I334 HydrophobicContact CB-CD1 3.57Å; P330-L350 HydrophobicContact CB-CD1 3.95Å; P330-S353 WeakPolarHBondContact CG-OG 3.25Å
331	P	93.2	Very high	91.8	Very high	6 Å²	6	42.5 Å²	42.5	4%	0.039	24%	0.238	C	C	.	.			trans	-52.6	158.4	168.2	-29	35.2	0	0	0	113	L310 L313 N333 I334 S355	L310-P331 HydrophobicContact CB-CG 4.16Å; L310-P331 HydrophobicContact CD2-CG 3.73Å; L310-P331 HydrophobicContact CG-CB 4.37Å; L310-P331 HydrophobicContact CG-CG 3.85Å; L310-P331 WeakPolarHBondContact O-CA 3.37Å; L310-P331 VanDerWaalsContact O-CB 3.31Å; L310-P331 WeakPolarHBondContact O-CB 3.33Å; L313-P331 HydrophobicContact CB-CG 4.3Å; P331-N333 VanDerWaalsContact C-N 3.33Å; P331-N333 PolarHBondContact O-N 2.93Å; P331-I334 HydrophobicContact CB-CG1 4.07Å; P331-I334 HydrophobicContact CG-CG1 4.34Å; P331-S355 WeakPolarHBondContact O-CB 3.23Å; P331-S355 PolarHBondContact O-OG 2.93Å
332	K	93.4	Very high	91.7	Very high	72 Å²	72	41.3 Å²	41.3	31%	0.313	24%	0.235	S	C	.	.	S	Bend	trans	-57.7	-43.7	177.5	179.4	179.1	172.5	179.4	0	112.2	K311 S355 Y356 D460	K311-K332 WeakPolarHBondContact O-CB 3.42Å; K311-K332 PolarHBondContact O-N 3.49Å; K332-S355 CarbonylContact O-C 3.55Å; K332-S355 VanDerWaalsContact O-CA 3.23Å; K332-S355 WeakPolarHBondContact O-CA 3.44Å; K332-S355 WeakPolarHBondContact O-CB 3.47Å; K332-Y356 PolarHBondContact O-N 3.23Å; K332-D460 IonicContact NZ-OD1 3.97Å; K332-D460 PolarHBondContact NZ-OD1 3.12Å; K332-D460 IonicContact NZ-OD2 3.38Å
333	N	95.4	Very high	91.5	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	125.7	178.6	-66.5	-48.4	0	0	0	110	K311 I312 L313 P331 Y335 Y356 D453	K311-N333 PolarHBondContact O-N 3.18Å; I312-N333 WeakPolarHBondContact CA-O 3.1Å; I312-N333 HydrophobicContact CB-CB 4.42Å; I312-N333 HydrophobicContact CD1-CB 4.19Å; I312-N333 WeakPolarHBondContact CD1-ND2 3.06Å; I312-N333 HydrophobicContact CG1-CB 4Å; I312-N333 HydrophobicContact CG2-CB 4.27Å; L313-N333 PolarHBondContact N-O 3.44Å; P331-N333 VanDerWaalsContact C-N 3.33Å; P331-N333 PolarHBondContact O-N 2.93Å; N333-Y335 HydrophobicContact CB-CE2 4.11Å; N333-Y356 CarbonylContact C-O 3.35Å; N333-Y356 WeakPolarHBondContact CA-O 3.28Å; N333-Y356 WeakPolarHBondContact OD1-CB 3.47Å; N333-Y356 VanDerWaalsContact OD1-CD2 3.23Å; N333-Y356 WeakPolarHBondContact OD1-CD2 3.47Å; N333-D453 PolarHBondContact ND2-OD1 2.7Å
334	I	96.7	Very high	91.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	114.5	178.9	-56	168.8	0	0	0	109.1	W305 L313 P330 P331 L336 L350 Y356 I357 D358	W305-I334 HydrophobicContact CZ3-CD1 4.26Å; L313-I334 CarbonylContact O-C 3.54Å; L313-I334 WeakPolarHBondContact O-CA 3.5Å; P330-I334 HydrophobicContact CB-CD1 3.57Å; P331-I334 HydrophobicContact CB-CG1 4.07Å; P331-I334 HydrophobicContact CG-CG1 4.34Å; I334-L336 HydrophobicContact CG2-CD1 4.11Å; I334-L336 HydrophobicContact CG2-CD2 4.07Å; I334-L336 HydrophobicContact CG2-CG 3.8Å; I334-L350 HydrophobicContact CD1-CD1 3.44Å; I334-L350 VanDerWaalsContact CD1-CD1 3.44Å; I334-Y356 PolarHBondContact N-O 2.86Å; I334-I357 HydrophobicContact CB-CG1 4.44Å; I334-I357 HydrophobicContact CB-CG2 4.46Å; I334-I357 HydrophobicContact CD1-CG1 4.33Å; I334-I357 CarbonylContact O-C 3.44Å; I334-I357 WeakPolarHBondContact O-CA 3.11Å; I334-D358 PolarHBondContact O-N 3.11Å
335	Y	97.7	Very high	91.1	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	108.8	178	-50.7	-56	0	0	0	110.4	I312 L313 D314 L315 S316 N333 D358 A437 A438 T451 D453	I312-Y335 HydrophobicContact CG2-CE2 4.46Å; L313-Y335 PolarHBondContact O-N 3.23Å; D314-Y335 HydrophobicContact CB-CD2 3.87Å; L315-Y335 CarbonylContact C-O 3.55Å; L315-Y335 PolarHBondContact N-O 3.25Å; S316-Y335 PolarHBondContact N-O 3.49Å; N333-Y335 HydrophobicContact CB-CE2 4.11Å; Y335-D358 HydrophobicContact CD1-CB 3.86Å; Y335-A437 VanDerWaalsContact CE1-O 3.29Å; Y335-A437 WeakPolarHBondContact CE1-O 3.31Å; Y335-A437 WeakPolarHBondContact OH-CB 3.5Å; Y335-A438 HydrophobicContact CE1-CB 4.38Å; Y335-T451 HydrophobicContact CD1-CG2 3.65Å; Y335-T451 HydrophobicContact CE1-CG2 4.24Å; Y335-T451 HydrophobicContact CG-CG2 4.1Å; Y335-D453 VanDerWaalsContact OH-CB 3.26Å; Y335-D453 WeakPolarHBondContact OH-CB 3.29Å; Y335-D453 PolarHBondContact OH-N 3.31Å
336	L	97.4	Very high	90.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.211	C	C	.	.			trans	-113.3	10.4	178	-54.5	179.9	0	0	0	111.8	I300 L315 V324 I334 N339 L341 D358 L359 N362	I300-L336 HydrophobicContact CD1-CD1 4.4Å; I300-L336 HydrophobicContact CD1-CD2 3.87Å; L315-L336 HydrophobicContact CB-CD2 4.13Å; L315-L336 HydrophobicContact CD1-CD2 4.04Å; L315-L336 HydrophobicContact CG-CD2 4.45Å; V324-L336 HydrophobicContact CG2-CD1 4.16Å; I334-L336 HydrophobicContact CG2-CD1 4.11Å; I334-L336 HydrophobicContact CG2-CD2 4.07Å; I334-L336 HydrophobicContact CG2-CG 3.8Å; L336-N339 PolarHBondContact O-ND2 3.21Å; L336-L341 HydrophobicContact CB-CD1 3.9Å; L336-L341 HydrophobicContact CD1-CD1 3.9Å; L336-L341 HydrophobicContact CD2-CD1 4.48Å; L336-L341 HydrophobicContact CG-CD1 4.31Å; L336-D358 WeakPolarHBondContact CA-O 3.31Å; L336-D358 WeakPolarHBondContact CB-O 3.49Å; L336-D358 PolarHBondContact N-O 2.74Å; L336-L359 HydrophobicContact CD1-CD2 4.13Å; L336-N362 PolarHBondContact O-ND2 3.49Å
337	T	96.9	Very high	90.4	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.219	C	C	.	.			trans	-54.5	139.5	-176.2	-175.9	0	0	0	0	112.3	S316 F317 N339 S360 T451	S316-T337 CarbonylContact C-O 3.36Å; S316-T337 VanDerWaalsContact CA-O 3.23Å; S316-T337 WeakPolarHBondContact CA-O 3.28Å; F317-T337 HydrophobicContact CD2-CG2 4.39Å; F317-T337 HydrophobicContact CE1-CG2 4.46Å; F317-T337 HydrophobicContact CE2-CG2 3.82Å; F317-T337 HydrophobicContact CZ-CG2 3.86Å; F317-T337 PolarHBondContact N-O 2.79Å; T337-N339 PolarHBondContact O-ND2 2.75Å; T337-S360 CarbonylContact C-O 3.45Å; T337-S360 WeakPolarHBondContact CA-O 3.23Å; T337-S360 VanDerWaalsContact CB-OG 3.22Å; T337-S360 WeakPolarHBondContact CB-OG 3.49Å; T337-S360 PolarHBondContact OG1-O 2.73Å; T337-S360 PolarHBondContact OG1-OG 2.95Å; T337-T451 HydrophobicContact CG2-CG2 4.04Å
338	G	95.8	Very high	89.6	Confident	18 Å²	18	39.9 Å²	39.9	19%	0.186	23%	0.23	C	C	.	.	S	Bend	trans	68.6	56.7	174.1	0	0	0	0	0	113.1	F317 N318 S360 Y361	F317-G338 CarbonylContact C-O 3.59Å; F317-G338 VanDerWaalsContact CA-O 3.23Å; F317-G338 WeakPolarHBondContact CA-O 3.29Å; F317-G338 PolarHBondContact N-O 3.06Å; N318-G338 PolarHBondContact N-O 3.19Å; N318-G338 VanDerWaalsContact N-O 3.07Å; G338-S360 PolarHBondContact N-O 3.22Å; G338-Y361 WeakPolarHBondContact CA-O 3.23Å; G338-Y361 PolarHBondContact N-O 2.75Å
339	N	97.1	Very high	89.2	Confident	9 Å²	9	34 Å²	34	5%	0.048	21%	0.212	C	C	.	.	S	Bend	trans	-133.5	-170.7	175.3	-82	-74.8	0	0	0	110.3	L315 N318 L320 L336 T337 L341 Y361 N362	L315-N339 PolarHBondContact O-ND2 3.06Å; N318-N339 WeakPolarHBondContact CA-OD1 3.37Å; N318-N339 WeakPolarHBondContact CB-OD1 3.3Å; N318-N339 PolarHBondContact N-OD1 2.68Å; N318-N339 PolarHBondContact O-OD1 2.65Å; L320-N339 HydrophobicContact CB-CB 4.4Å; L320-N339 VanDerWaalsContact CB-OD1 3.3Å; L320-N339 WeakPolarHBondContact CB-OD1 3.28Å; L320-N339 PolarHBondContact N-OD1 3.23Å; L336-N339 PolarHBondContact O-ND2 3.21Å; T337-N339 PolarHBondContact O-ND2 2.75Å; N339-L341 HydrophobicContact CB-CD1 4.26Å; N339-L341 HydrophobicContact CB-CG 4.08Å; N339-Y361 PolarHBondContact N-O 3.14Å; N339-Y361 VanDerWaalsContact N-O 3.13Å; N339-Y361 VanDerWaalsContact O-O 3.08Å; N339-N362 VanDerWaalsContact C-OD1 3.25Å; N339-N362 WeakPolarHBondContact CB-OD1 3.34Å; N339-N362 PolarHBondContact O-OD1 3.47Å
340	L	96	Very high	89	Confident	90 Å²	90	28.6 Å²	28.6	47%	0.471	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	25.2	177.7	-55.6	173.9	0	0	0	111.5	K319 L320 N321	K319-L340 HydrophobicContact CB-CD1 4.47Å; L320-L340 CarbonylContact O-C 3.49Å; L320-L340 VanDerWaalsContact O-C 3.22Å; L320-L340 VanDerWaalsContact O-CA 3.24Å; L320-L340 WeakPolarHBondContact O-CA 3.49Å; L320-L340 WeakPolarHBondContact O-CB 3.3Å; L320-L340 PolarHBondContact O-N 2.83Å; N321-L340 HydrophobicContact CB-CB 4.17Å
341	L	94.7	Very high	88.7	Confident	1 Å²	1	29 Å²	29	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	148.9	-177.9	-59.6	166	0	0	0	110.4	I300 L320 V324 L336 N339 N362 N363 F364	I300-L341 HydrophobicContact CD1-CD1 4Å; I300-L341 HydrophobicContact CD1-CD2 4.02Å; I300-L341 HydrophobicContact CG1-CD2 4.28Å; L320-L341 HydrophobicContact CB-CD2 4.13Å; L320-L341 PolarHBondContact O-N 3.44Å; V324-L341 HydrophobicContact CG2-CD1 4.13Å; V324-L341 HydrophobicContact CG2-CD2 4.45Å; L336-L341 HydrophobicContact CB-CD1 3.9Å; L336-L341 HydrophobicContact CD1-CD1 3.9Å; L336-L341 HydrophobicContact CD2-CD1 4.48Å; L336-L341 HydrophobicContact CG-CD1 4.31Å; N339-L341 HydrophobicContact CB-CD1 4.26Å; N339-L341 HydrophobicContact CB-CG 4.08Å; L341-N362 VanDerWaalsContact CB-OD1 3.29Å; L341-N362 WeakPolarHBondContact CB-OD1 3.24Å; L341-N362 PolarHBondContact N-OD1 3.23Å; L341-N363 CarbonylContact O-C 3.55Å; L341-N363 WeakPolarHBondContact O-CA 3.3Å; L341-N363 WeakPolarHBondContact O-CB 3.41Å; L341-N363 PolarHBondContact O-N 3.49Å; L341-F364 HydrophobicContact CB-CE1 3.74Å; L341-F364 HydrophobicContact CB-CE2 4.23Å; L341-F364 HydrophobicContact CB-CZ 3.43Å; L341-F364 VanDerWaalsContact CB-CZ 3.43Å; L341-F364 HydrophobicContact CD1-CZ 4.07Å; L341-F364 HydrophobicContact CG-CZ 4.41Å
342	S	93.2	Very high	87.9	Confident	44 Å²	44	35.9 Å²	35.9	31%	0.308	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	-176.7	-172	62.2	0	0	0	0	112.1	G322 I323 N363	G322-S342 PolarHBondContact O-N 3.01Å; I323-S342 WeakPolarHBondContact CA-O 3.47Å; S342-N363 WeakPolarHBondContact CA-O 3.3Å; S342-N363 WeakPolarHBondContact CB-O 3.21Å
343	G	89.3	Confident	87.1	Confident	18 Å²	18	33.9 Å²	33.9	19%	0.186	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	92.4	177.4	-177.8	0	0	0	0	0	113.4	I345 S365	G343-I345 PolarHBondContact O-N 3.49Å; G343-S365 PolarHBondContact O-N 3.45Å
344	N	87.7	Confident	86.6	Confident	76 Å²	76	42.8 Å²	42.8	41%	0.406	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	113.5	179.6	-174.1	-9.8	0	0	0	110.4	E346 S347	N344-E346 PolarHBondContact OD1-N 2.85Å; N344-S347 VanDerWaalsContact CG-OG 3.23Å; N344-S347 PolarHBondContact ND2-OG 3.32Å
345	I	85.4	Confident	86.3	Confident	7 Å²	7	43.1 Å²	43.1	4%	0.036	26%	0.259	C	S	.	.	S	Bend	trans	-80.2	-22	-177.5	-165.9	63	0	0	0	113.3	V324 G343 L350 L351 L359 F364 S365 W366	V324-I345 HydrophobicContact CB-CD1 4.41Å; G343-I345 PolarHBondContact O-N 3.49Å; I345-L350 HydrophobicContact CD1-CD2 3.83Å; I345-L351 HydrophobicContact CG1-CD1 4.33Å; I345-L351 HydrophobicContact CG1-CD2 4.16Å; I345-L351 HydrophobicContact CG1-CG 4.38Å; I345-L351 HydrophobicContact CG2-CD1 4.2Å; I345-L359 HydrophobicContact CD1-CD1 4.35Å; I345-L359 HydrophobicContact CD1-CD2 4.4Å; I345-L359 HydrophobicContact CG1-CD1 3.8Å; I345-F364 HydrophobicContact CB-CB 4.26Å; I345-F364 HydrophobicContact CB-CD1 4.09Å; I345-F364 HydrophobicContact CB-CG 4.21Å; I345-F364 HydrophobicContact CD1-CD1 4.08Å; I345-F364 HydrophobicContact CD1-CE1 3.88Å; I345-F364 HydrophobicContact CD1-CZ 4.21Å; I345-F364 HydrophobicContact CG1-CD1 4.43Å; I345-F364 HydrophobicContact CG2-CB 4.31Å; I345-S365 PolarHBondContact N-O 2.91Å; I345-W366 HydrophobicContact CG2-CD2 3.72Å; I345-W366 HydrophobicContact CG2-CE3 3.66Å; I345-W366 HydrophobicContact CG2-CG 4.5Å; I345-W366 HydrophobicContact CG2-CH2 3.74Å; I345-W366 HydrophobicContact CG2-CZ2 3.78Å; I345-W366 HydrophobicContact CG2-CZ3 3.68Å
346	E	79.4	Confident	86.1	Confident	62 Å²	62	46.1 Å²	46.1	29%	0.29	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-13.5	-177.7	-64.3	172.2	145.2	0	0	113.2	N344 G348 L351 W366 S367	N344-E346 PolarHBondContact OD1-N 2.85Å; E346-G348 PolarHBondContact O-N 3.16Å; E346-L351 HydrophobicContact CB-CD1 4.5Å; E346-L351 HydrophobicContact CG-CD1 3.91Å; E346-W366 HydrophobicContact CG-CE3 4.19Å; E346-W366 HydrophobicContact CG-CZ3 4.5Å; E346-S367 PolarHBondContact OE1-OG 3.14Å; E346-S367 WeakPolarHBondContact OE2-CA 3.17Å; E346-S367 WeakPolarHBondContact OE2-CB 3.46Å; E346-S367 PolarHBondContact OE2-N 2.76Å; E346-S367 PolarHBondContact OE2-OG 3.44Å
347	S	69	Low	86	Confident	98 Å²	98	46.1 Å²	46.1	69%	0.685	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	0.2	-179.7	-60.1	0	0	0	0	114.2	N344	N344-S347 VanDerWaalsContact CG-OG 3.23Å; N344-S347 PolarHBondContact ND2-OG 3.32Å
348	G	67.3	Low	86	Confident	31 Å²	31	46.1 Å²	46.1	32%	0.32	27%	0.271	S	S	.	.	S	Bend	trans	-122.8	165.7	-173.8	0	0	0	0	0	114.5	E346 L350	E346-G348 PolarHBondContact O-N 3.16Å; G348-L350 PolarHBondContact O-N 3.43Å; G348-L350 VanDerWaalsContact O-N 3.14Å
349	G	72.8	Confident	85.9	Confident	33 Å²	33	45.2 Å²	45.2	34%	0.34	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-1.9	178.2	0	0	0	0	0	115.4
350	L	82.3	Confident	85.7	Confident	4 Å²	4	44.8 Å²	44.8	2%	0.021	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-47.6	-175.8	-178.5	66	0	0	0	112.7	V324 V327 P330 I334 I345 G348 N352 S353 I357 L359	V324-L350 HydrophobicContact CG1-CD2 4.02Å; V327-L350 HydrophobicContact CB-CB 4.3Å; V327-L350 HydrophobicContact CG1-CB 4.16Å; V327-L350 HydrophobicContact CG1-CD1 4.03Å; V327-L350 HydrophobicContact CG2-CB 4.41Å; P330-L350 HydrophobicContact CB-CD1 3.95Å; I334-L350 HydrophobicContact CD1-CD1 3.44Å; I334-L350 VanDerWaalsContact CD1-CD1 3.44Å; I345-L350 HydrophobicContact CD1-CD2 3.83Å; G348-L350 PolarHBondContact O-N 3.43Å; G348-L350 VanDerWaalsContact O-N 3.14Å; L350-N352 VanDerWaalsContact C-N 3.33Å; L350-N352 PolarHBondContact O-N 3.22Å; L350-S353 PolarHBondContact O-OG 3.19Å; L350-I357 HydrophobicContact CD1-CD1 3.86Å; L350-I357 HydrophobicContact CD1-CG1 4.35Å; L350-I357 HydrophobicContact CD1-CG2 4.44Å; L350-I357 HydrophobicContact CD2-CG2 4.36Å; L350-I357 HydrophobicContact CG-CD1 3.96Å; L350-I357 HydrophobicContact CG-CG2 4.44Å; L350-I357 WeakPolarHBondContact O-CD1 3.39Å; L350-L359 HydrophobicContact CD2-CD2 4.42Å
351	L	81.9	Confident	85.6	Confident	33 Å²	33	42 Å²	42	17%	0.173	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-15.3	-174.1	-56.2	-177.7	0	0	0	113.9	I345 E346 S353 L359 W366 I376	I345-L351 HydrophobicContact CG1-CD1 4.33Å; I345-L351 HydrophobicContact CG1-CD2 4.16Å; I345-L351 HydrophobicContact CG1-CG 4.38Å; I345-L351 HydrophobicContact CG2-CD1 4.2Å; E346-L351 HydrophobicContact CB-CD1 4.5Å; E346-L351 HydrophobicContact CG-CD1 3.91Å; L351-S353 VanDerWaalsContact C-N 3.29Å; L351-L359 HydrophobicContact CD2-CD1 4Å; L351-W366 HydrophobicContact CD1-CH2 4.34Å; L351-W366 HydrophobicContact CD1-CZ3 3.9Å; L351-I376 HydrophobicContact CB-CD1 4.26Å; L351-I376 HydrophobicContact CD2-CD1 3.9Å; L351-I376 HydrophobicContact CD2-CG2 4.32Å
352	N	75.7	Confident	85.5	Confident	150 Å²	150	42.1 Å²	42.1	80%	0.802	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	2	-179.2	-68.4	-22.1	0	0	0	113.1	L350	L350-N352 VanDerWaalsContact C-N 3.33Å; L350-N352 PolarHBondContact O-N 3.22Å
353	S	78.2	Confident	85.4	Confident	30 Å²	30	43.3 Å²	43.3	21%	0.21	25%	0.246	C	C	.	.	S	Bend	trans	-89.6	165.4	179.7	75.5	0	0	0	0	112.6	P330 L350 L351 S355	P330-S353 WeakPolarHBondContact CG-OG 3.25Å; L350-S353 PolarHBondContact O-OG 3.19Å; L351-S353 VanDerWaalsContact C-N 3.29Å; S353-S355 PolarHBondContact O-N 3Å; S353-S355 WeakPolarHBondContact OG-CB 2.99Å; S353-S355 PolarHBondContact OG-N 3.33Å; S353-S355 PolarHBondContact OG-OG 3.37Å
354	Q	83.6	Confident	85.4	Confident	191 Å²	191	42.5 Å²	42.5	89%	0.893	24%	0.238	S	C	*	.	S	Bend	trans	-83.7	21.9	168.3	-64.6	-175	-13.2	0	0	112.4
355	S	91.5	Very high	85.4	Confident	6 Å²	6	42.1 Å²	42.1	4%	0.042	24%	0.241	C	C	.	.			trans	-77.7	153.3	-179	-55.7	0	0	0	0	111.3	P331 K332 S353 T375	P331-S355 WeakPolarHBondContact O-CB 3.23Å; P331-S355 PolarHBondContact O-OG 2.93Å; K332-S355 CarbonylContact O-C 3.55Å; K332-S355 VanDerWaalsContact O-CA 3.23Å; K332-S355 WeakPolarHBondContact O-CA 3.44Å; K332-S355 WeakPolarHBondContact O-CB 3.47Å; S353-S355 PolarHBondContact O-N 3Å; S353-S355 WeakPolarHBondContact OG-CB 2.99Å; S353-S355 PolarHBondContact OG-N 3.33Å; S353-S355 PolarHBondContact OG-OG 3.37Å; S355-T375 WeakPolarHBondContact O-CB 3.4Å; S355-T375 PolarHBondContact O-OG1 3.09Å
356	Y	94.2	Very high	85.3	Confident	67 Å²	67	43.3 Å²	43.3	26%	0.263	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	115.1	162.7	-60.7	-78.5	0	0	0	108.9	K332 N333 I334 T375 N436 A437	K332-Y356 PolarHBondContact O-N 3.23Å; N333-Y356 CarbonylContact C-O 3.35Å; N333-Y356 WeakPolarHBondContact CA-O 3.28Å; N333-Y356 WeakPolarHBondContact OD1-CB 3.47Å; N333-Y356 VanDerWaalsContact OD1-CD2 3.23Å; N333-Y356 WeakPolarHBondContact OD1-CD2 3.47Å; I334-Y356 PolarHBondContact N-O 2.86Å; Y356-T375 CarbonylContact C-O 3.54Å; Y356-T375 VanDerWaalsContact CA-O 3.29Å; Y356-T375 WeakPolarHBondContact CA-O 3.19Å; Y356-T375 HydrophobicContact CD1-CG2 3.76Å; Y356-T375 HydrophobicContact CE1-CG2 3.53Å; Y356-N436 HydrophobicContact CD1-CB 4.19Å; Y356-N436 WeakPolarHBondContact CD1-OD1 3.14Å; Y356-N436 HydrophobicContact CE1-CB 3.69Å; Y356-A437 HydrophobicContact CD1-CB 4.28Å; Y356-A437 HydrophobicContact CD2-CB 4.42Å; Y356-A437 HydrophobicContact CG-CB 4.02Å
357	I	94.6	Very high	85.3	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	119.1	-170.6	-55.8	161.6	0	0	0	109.6	I334 L350 L359 T375 I376 N377 A438	I334-I357 HydrophobicContact CB-CG1 4.44Å; I334-I357 HydrophobicContact CB-CG2 4.46Å; I334-I357 HydrophobicContact CD1-CG1 4.33Å; I334-I357 CarbonylContact O-C 3.44Å; I334-I357 WeakPolarHBondContact O-CA 3.11Å; L350-I357 HydrophobicContact CD1-CD1 3.86Å; L350-I357 HydrophobicContact CD1-CG1 4.35Å; L350-I357 HydrophobicContact CD1-CG2 4.44Å; L350-I357 HydrophobicContact CD2-CG2 4.36Å; L350-I357 HydrophobicContact CG-CD1 3.96Å; L350-I357 HydrophobicContact CG-CG2 4.44Å; L350-I357 WeakPolarHBondContact O-CD1 3.39Å; I357-L359 HydrophobicContact CG2-CD1 4.47Å; I357-L359 HydrophobicContact CG2-CD2 3.78Å; I357-L359 HydrophobicContact CG2-CG 3.89Å; I357-T375 PolarHBondContact N-O 2.93Å; I357-I376 HydrophobicContact CB-CG1 4.44Å; I357-I376 HydrophobicContact CB-CG2 4.5Å; I357-I376 CarbonylContact O-C 3.21Å; I357-I376 VanDerWaalsContact O-CA 3.3Å; I357-I376 WeakPolarHBondContact O-CA 3.45Å; I357-N377 PolarHBondContact O-N 3.25Å; I357-A438 VanDerWaalsContact C-CB 3.47Å; I357-A438 WeakPolarHBondContact O-CB 3.48Å
358	D	95.7	Very high	85.3	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	115.2	173.3	-160.1	-42.5	0	0	0	111.6	I334 Y335 L336 S360 N377 A438 T451	I334-D358 PolarHBondContact O-N 3.11Å; Y335-D358 HydrophobicContact CD1-CB 3.86Å; L336-D358 WeakPolarHBondContact CA-O 3.31Å; L336-D358 WeakPolarHBondContact CB-O 3.49Å; L336-D358 PolarHBondContact N-O 2.74Å; D358-S360 WeakPolarHBondContact OD1-CB 3.3Å; D358-S360 PolarHBondContact OD1-N 2.76Å; D358-S360 PolarHBondContact OD1-OG 3.21Å; D358-N377 HydrophobicContact CB-CB 4.19Å; D358-N377 WeakPolarHBondContact OD2-CB 3.19Å; D358-N377 PolarHBondContact OD2-ND2 3.31Å; D358-A438 HydrophobicContact CB-CB 4.12Å; D358-T451 HydrophobicContact CB-CG2 3.88Å; D358-T451 VanDerWaalsContact OD2-CB 3.27Å; D358-T451 WeakPolarHBondContact OD2-CB 3.46Å; D358-T451 WeakPolarHBondContact OD2-CG2 3.27Å; D358-T451 PolarHBondContact OD2-OG1 2.88Å
359	L	94.1	Very high	85.3	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.265	C	S	.	.			trans	-110.3	7.7	179.2	-57.7	175.5	0	0	0	112.1	L336 I345 L350 L351 I357 N362 F364 W366 I376 N377 S381	L336-L359 HydrophobicContact CD1-CD2 4.13Å; I345-L359 HydrophobicContact CD1-CD1 4.35Å; I345-L359 HydrophobicContact CD1-CD2 4.4Å; I345-L359 HydrophobicContact CG1-CD1 3.8Å; L350-L359 HydrophobicContact CD2-CD2 4.42Å; L351-L359 HydrophobicContact CD2-CD1 4Å; I357-L359 HydrophobicContact CG2-CD1 4.47Å; I357-L359 HydrophobicContact CG2-CD2 3.78Å; I357-L359 HydrophobicContact CG2-CG 3.89Å; L359-N362 PolarHBondContact O-ND2 3.21Å; L359-F364 HydrophobicContact CB-CD2 4.3Å; L359-F364 HydrophobicContact CB-CE2 4.01Å; L359-F364 HydrophobicContact CD2-CE2 3.92Å; L359-F364 HydrophobicContact CD2-CZ 4.23Å; L359-F364 HydrophobicContact CG-CE2 4.43Å; L359-W366 HydrophobicContact CD1-CH2 3.95Å; L359-W366 HydrophobicContact CD1-CZ2 3.99Å; L359-I376 HydrophobicContact CD1-CG2 4.2Å; L359-N377 PolarHBondContact N-O 2.68Å; L359-S381 WeakPolarHBondContact O-CB 3.11Å
360	S	93.3	Very high	85.3	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.255	C	S	.	.			trans	-61.9	152	-171.6	59.7	0	0	0	0	112.5	T337 G338 D358 N362 Y379	T337-S360 CarbonylContact C-O 3.45Å; T337-S360 WeakPolarHBondContact CA-O 3.23Å; T337-S360 VanDerWaalsContact CB-OG 3.22Å; T337-S360 WeakPolarHBondContact CB-OG 3.49Å; T337-S360 PolarHBondContact OG1-O 2.73Å; T337-S360 PolarHBondContact OG1-OG 2.95Å; G338-S360 PolarHBondContact N-O 3.22Å; D358-S360 WeakPolarHBondContact OD1-CB 3.3Å; D358-S360 PolarHBondContact OD1-N 2.76Å; D358-S360 PolarHBondContact OD1-OG 3.21Å; S360-N362 PolarHBondContact O-ND2 3.46Å; S360-Y379 CarbonylContact C-O 3.59Å; S360-Y379 WeakPolarHBondContact CA-O 3.38Å; S360-Y379 WeakPolarHBondContact CB-O 3Å
361	Y	93.4	Very high	84.6	Confident	31 Å²	31	53.5 Å²	53.5	12%	0.122	29%	0.294	C	S	.	.	S	Bend	trans	51.2	60	-178.3	-52.5	-77.8	0	0	0	113.5	G338 N339 Y379 Q380 V491 E567 R569	G338-Y361 WeakPolarHBondContact CA-O 3.23Å; G338-Y361 PolarHBondContact N-O 2.75Å; N339-Y361 PolarHBondContact N-O 3.14Å; N339-Y361 VanDerWaalsContact N-O 3.13Å; N339-Y361 VanDerWaalsContact O-O 3.08Å; Y361-Y379 HydrophobicContact CE1-CE1 4.11Å; Y361-Y379 HydrophobicContact CE2-CD1 4.22Å; Y361-Y379 HydrophobicContact CE2-CE1 4.38Å; Y361-Y379 AromaticContact CZ-CD1 3.94Å; Y361-Y379 AromaticContact CZ-CE1 3.67Å; Y361-Y379 PolarHBondContact N-O 3.1Å; Y361-Y379 WeakPolarHBondContact OH-CE1 2.96Å; Y361-Q380 VanDerWaalsContact CA-O 3.23Å; Y361-Q380 WeakPolarHBondContact CA-O 3.31Å; Y361-Q380 HydrophobicContact CD1-CB 4.01Å; Y361-Q380 HydrophobicContact CE1-CB 4.25Å; Y361-Q380 HydrophobicContact CE1-CG 4.32Å; Y361-Q380 PolarHBondContact N-O 3.21Å; Y361-Q380 VanDerWaalsContact N-O 3.08Å; Y361-V491 HydrophobicContact CE2-CG2 4.41Å; Y361-E567 PolarHBondContact OH-OE1 3.36Å; Y361-E567 PolarHBondContact OH-OE2 2.56Å; Y361-R569 PolarHBondContact OH-NE 3.49Å; Y361-R569 PolarHBondContact OH-NH2 2.79Å
362	N	93	Very high	83.8	Confident	3 Å²	3	55.4 Å²	55.4	2%	0.016	30%	0.301	C	S	.	.	S	Bend	trans	-140.8	179.6	174.5	-80.7	-80.3	0	0	0	109.9	L336 N339 L341 L359 S360 F364 Q380 S381 S382	L336-N362 PolarHBondContact O-ND2 3.49Å; N339-N362 VanDerWaalsContact C-OD1 3.25Å; N339-N362 WeakPolarHBondContact CB-OD1 3.34Å; N339-N362 PolarHBondContact O-OD1 3.47Å; L341-N362 VanDerWaalsContact CB-OD1 3.29Å; L341-N362 WeakPolarHBondContact CB-OD1 3.24Å; L341-N362 PolarHBondContact N-OD1 3.23Å; L359-N362 PolarHBondContact O-ND2 3.21Å; S360-N362 PolarHBondContact O-ND2 3.46Å; N362-F364 HydrophobicContact CB-CD2 3.63Å; N362-F364 HydrophobicContact CB-CE2 3.43Å; N362-F364 VanDerWaalsContact CB-CE2 3.43Å; N362-F364 HydrophobicContact CB-CZ 4.3Å; N362-Q380 PolarHBondContact N-O 3.33Å; N362-S381 CarbonylContact C-O 3.51Å; N362-S381 CarbonylContact O-C 3.48Å; N362-S382 PolarHBondContact O-N 3.31Å
363	N	91.7	Very high	83.6	Confident	69 Å²	69	49.6 Å²	49.6	37%	0.369	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	40.6	-174.2	-60.9	-43.8	0	0	0	112.7	L341 S342	L341-N363 CarbonylContact O-C 3.55Å; L341-N363 WeakPolarHBondContact O-CA 3.3Å; L341-N363 WeakPolarHBondContact O-CB 3.41Å; L341-N363 PolarHBondContact O-N 3.49Å; S342-N363 WeakPolarHBondContact CA-O 3.3Å; S342-N363 WeakPolarHBondContact CB-O 3.21Å
364	F	89.8	Confident	83.7	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.009	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	155.2	-179.3	-62.5	-69.9	0	0	0	112.7	V324 L341 I345 L359 N362 S381 S382	V324-F364 HydrophobicContact CG2-CE1 4.03Å; V324-F364 HydrophobicContact CG2-CZ 4.09Å; L341-F364 HydrophobicContact CB-CE1 3.74Å; L341-F364 HydrophobicContact CB-CE2 4.23Å; L341-F364 HydrophobicContact CB-CZ 3.43Å; L341-F364 VanDerWaalsContact CB-CZ 3.43Å; L341-F364 HydrophobicContact CD1-CZ 4.07Å; L341-F364 HydrophobicContact CG-CZ 4.41Å; I345-F364 HydrophobicContact CB-CB 4.26Å; I345-F364 HydrophobicContact CB-CD1 4.09Å; I345-F364 HydrophobicContact CB-CG 4.21Å; I345-F364 HydrophobicContact CD1-CD1 4.08Å; I345-F364 HydrophobicContact CD1-CE1 3.88Å; I345-F364 HydrophobicContact CD1-CZ 4.21Å; I345-F364 HydrophobicContact CG1-CD1 4.43Å; I345-F364 HydrophobicContact CG2-CB 4.31Å; L359-F364 HydrophobicContact CB-CD2 4.3Å; L359-F364 HydrophobicContact CB-CE2 4.01Å; L359-F364 HydrophobicContact CD2-CE2 3.92Å; L359-F364 HydrophobicContact CD2-CZ 4.23Å; L359-F364 HydrophobicContact CG-CE2 4.43Å; N362-F364 HydrophobicContact CB-CD2 3.63Å; N362-F364 HydrophobicContact CB-CE2 3.43Å; N362-F364 VanDerWaalsContact CB-CE2 3.43Å; N362-F364 HydrophobicContact CB-CZ 4.3Å; F364-S381 WeakPolarHBondContact CB-O 2.98Å; F364-S381 WeakPolarHBondContact CD2-O 3.42Å; F364-S381 PolarHBondContact N-O 3.13Å; F364-S382 WeakPolarHBondContact O-CA 3.01Å; F364-S382 PolarHBondContact O-OG 2.8Å
365	S	86.4	Confident	83.9	Confident	67 Å²	67	44.4 Å²	44.4	47%	0.469	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	134.8	169.2	-57.6	0	0	0	0	109.8	G343 I345	G343-S365 PolarHBondContact O-N 3.45Å; I345-S365 PolarHBondContact N-O 2.91Å
366	W	83.3	Confident	83.9	Confident	32 Å²	32	44.7 Å²	44.7	12%	0.121	26%	0.261	C	S	.	.			trans	-124	146.3	-176.6	-66.4	87.7	0	0	0	111	I345 E346 L351 L359 C370 T378 S381 P393 C394	I345-W366 HydrophobicContact CG2-CD2 3.72Å; I345-W366 HydrophobicContact CG2-CE3 3.66Å; I345-W366 HydrophobicContact CG2-CG 4.5Å; I345-W366 HydrophobicContact CG2-CH2 3.74Å; I345-W366 HydrophobicContact CG2-CZ2 3.78Å; I345-W366 HydrophobicContact CG2-CZ3 3.68Å; E346-W366 HydrophobicContact CG-CE3 4.19Å; E346-W366 HydrophobicContact CG-CZ3 4.5Å; L351-W366 HydrophobicContact CD1-CH2 4.34Å; L351-W366 HydrophobicContact CD1-CZ3 3.9Å; L359-W366 HydrophobicContact CD1-CH2 3.95Å; L359-W366 HydrophobicContact CD1-CZ2 3.99Å; W366-C370 HydrophobicContact CE3-CB 4.27Å; W366-C370 VanDerWaalsContact CZ3-SG 3.59Å; W366-T378 HydrophobicContact CH2-CG2 3.57Å; W366-T378 HydrophobicContact CZ2-CG2 3.82Å; W366-T378 HydrophobicContact CZ3-CG2 4.42Å; W366-S381 WeakPolarHBondContact CZ2-OG 3.21Å; W366-S381 PolarHBondContact NE1-OG 2.69Å; W366-P393 HydrophobicContact CB-CG 4.2Å; W366-C394 VanDerWaalsContact CG-SG 3.57Å
367	S	79.2	Confident	83.8	Confident	36 Å²	36	41.5 Å²	41.5	25%	0.252	25%	0.248	S	C	.	.			trans	-66.6	160.2	168.1	70.7	0	0	0	0	112	E346 S369 C370	E346-S367 PolarHBondContact OE1-OG 3.14Å; E346-S367 WeakPolarHBondContact OE2-CA 3.17Å; E346-S367 WeakPolarHBondContact OE2-CB 3.46Å; E346-S367 PolarHBondContact OE2-N 2.76Å; E346-S367 PolarHBondContact OE2-OG 3.44Å; S367-S369 PolarHBondContact O-N 3Å; S367-S369 PolarHBondContact OG-OG 3.39Å; S367-C370 PolarHBondContact O-N 3.33Å; S367-C370 PolarHBondContact OG-N 2.64Å
368	S	70.5	Confident	83.5	Confident	124 Å²	124	41.6 Å²	41.6	87%	0.867	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.4	173.8	53.9	0	0	0	0	113.5
369	S	67.4	Low	83.2	Confident	87 Å²	87	41.8 Å²	41.8	61%	0.608	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	8.8	-179.8	49.1	0	0	0	0	113.9	S367 Q371	S367-S369 PolarHBondContact O-N 3Å; S367-S369 PolarHBondContact OG-OG 3.39Å; S369-Q371 PolarHBondContact O-N 3.13Å; S369-Q371 VanDerWaalsContact O-N 3.09Å
370	C	72	Confident	82.9	Confident	19 Å²	19	45 Å²	45	13%	0.128	26%	0.264	C	S	.	.			trans	-33.1	112.8	-173.9	178.6	0	0	0	0	113.5	W366 S367 C394	W366-C370 HydrophobicContact CE3-CB 4.27Å; W366-C370 VanDerWaalsContact CZ3-SG 3.59Å; S367-C370 PolarHBondContact O-N 3.33Å; S367-C370 PolarHBondContact OG-N 2.64Å; C370-C394 HydrophobicContact CB-CB 3.91Å; C370-C394 WeakPolarHBondContact CB-SG 3.32Å; C370-C394 WeakPolarHBondContact SG-CB 3.3Å; C370-C394 CovalentContact SG-SG 2.02Å; C370-C394 PolarHBondContact SG-SG 3.42Å
371	Q	66.8	Low	82.6	Confident	176 Å²	176	45 Å²	45	82%	0.822	26%	0.264	S	S	*	.			trans	-90.3	118.4	178.2	-67.5	-168.8	-11.2	0	0	109.9	S369 G373	S369-Q371 PolarHBondContact O-N 3.13Å; S369-Q371 VanDerWaalsContact O-N 3.09Å; Q371-G373 PolarHBondContact O-N 3.32Å
372	K	65	Low	82.1	Confident	74 Å²	74	44.1 Å²	44.1	32%	0.322	26%	0.263	S	S	.	.			trans	-81.6	103.1	177.9	-171.4	176.4	180	-179.6	0	110.2	N440	K372-N440 WeakPolarHBondContact CE-O 2.9Å; K372-N440 PolarHBondContact NZ-O 3.03Å
373	G	73.1	Confident	81	Confident	27 Å²	27	53.1 Å²	53.1	28%	0.278	30%	0.298	S	S	.	.			trans	-65.2	142.7	165.6	0	0	0	0	0	110.9	Q371 T375 I376	Q371-G373 PolarHBondContact O-N 3.32Å; G373-T375 PolarHBondContact O-N 3.03Å; G373-I376 PolarHBondContact O-N 3.06Å
374	S	79.2	Confident	79.5	Confident	85 Å²	85	53.2 Å²	53.2	59%	0.594	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.7	178.6	54	0	0	0	0	113.5	N436	S374-N436 PolarHBondContact O-ND2 3.46Å
375	T	88.2	Confident	78.1	Confident	28 Å²	28	59.4 Å²	59.4	17%	0.172	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	10.5	179.5	62.2	0	0	0	0	113	S355 Y356 I357 G373 A438	S355-T375 WeakPolarHBondContact O-CB 3.4Å; S355-T375 PolarHBondContact O-OG1 3.09Å; Y356-T375 CarbonylContact C-O 3.54Å; Y356-T375 VanDerWaalsContact CA-O 3.29Å; Y356-T375 WeakPolarHBondContact CA-O 3.19Å; Y356-T375 HydrophobicContact CD1-CG2 3.76Å; Y356-T375 HydrophobicContact CE1-CG2 3.53Å; I357-T375 PolarHBondContact N-O 2.93Å; G373-T375 PolarHBondContact O-N 3.03Å; T375-A438 CarbonylContact C-O 3.47Å
376	I	90.3	Very high	76.6	Confident	12 Å²	12	59.4 Å²	59.4	6%	0.062	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	116.6	-177.7	-53.7	174.8	0	0	0	109.4	L351 I357 L359 G373 T378 A438	L351-I376 HydrophobicContact CB-CD1 4.26Å; L351-I376 HydrophobicContact CD2-CD1 3.9Å; L351-I376 HydrophobicContact CD2-CG2 4.32Å; I357-I376 HydrophobicContact CB-CG1 4.44Å; I357-I376 HydrophobicContact CB-CG2 4.5Å; I357-I376 CarbonylContact O-C 3.21Å; I357-I376 VanDerWaalsContact O-CA 3.3Å; I357-I376 WeakPolarHBondContact O-CA 3.45Å; L359-I376 HydrophobicContact CD1-CG2 4.2Å; G373-I376 PolarHBondContact O-N 3.06Å; I376-T378 HydrophobicContact CG2-CG2 3.85Å; I376-T378 PolarHBondContact O-N 3.13Å; I376-A438 CarbonylContact C-O 3.47Å; I376-A438 PolarHBondContact N-O 3.07Å
377	N	92.3	Very high	74.8	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	108.6	172.8	-174	-6.1	0	0	0	110.4	I357 D358 L359 Y379 A438 N440 S449	I357-N377 PolarHBondContact O-N 3.25Å; D358-N377 HydrophobicContact CB-CB 4.19Å; D358-N377 WeakPolarHBondContact OD2-CB 3.19Å; D358-N377 PolarHBondContact OD2-ND2 3.31Å; L359-N377 PolarHBondContact N-O 2.68Å; N377-Y379 VanDerWaalsContact OD1-CB 3.31Å; N377-Y379 WeakPolarHBondContact OD1-CB 3.31Å; N377-Y379 PolarHBondContact OD1-N 3.31Å; N377-A438 HydrophobicContact CB-CB 4.33Å; N377-A438 PolarHBondContact N-O 3.48Å; N377-N440 WeakPolarHBondContact OD1-CB 3.3Å; N377-S449 PolarHBondContact ND2-OG 2.84Å
378	T	89.6	Confident	73.1	Confident	2 Å²	2	71.8 Å²	71.8	1%	0.012	39%	0.39	C	S	.	.			trans	-103.9	8.1	-179.2	58.9	0	0	0	0	113.7	W366 I376 Q380 S381	W366-T378 HydrophobicContact CH2-CG2 3.57Å; W366-T378 HydrophobicContact CZ2-CG2 3.82Å; W366-T378 HydrophobicContact CZ3-CG2 4.42Å; I376-T378 HydrophobicContact CG2-CG2 3.85Å; I376-T378 PolarHBondContact O-N 3.13Å; T378-Q380 PolarHBondContact O-N 2.83Å; T378-S381 VanDerWaalsContact O-CB 3.31Å; T378-S381 WeakPolarHBondContact O-CB 3.49Å; T378-S381 PolarHBondContact O-N 3.19Å; T378-S381 VanDerWaalsContact O-N 3.14Å; T378-S381 PolarHBondContact O-OG 3.05Å
379	Y	89	Confident	72.2	Confident	4 Å²	4	67.2 Å²	67.2	2%	0.016	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	121.4	-174.4	-179.7	-110.5	0	0	0	112	S360 Y361 N377 S381 V491 Y493 E567	S360-Y379 CarbonylContact C-O 3.59Å; S360-Y379 WeakPolarHBondContact CA-O 3.38Å; S360-Y379 WeakPolarHBondContact CB-O 3Å; Y361-Y379 HydrophobicContact CE1-CE1 4.11Å; Y361-Y379 HydrophobicContact CE2-CD1 4.22Å; Y361-Y379 HydrophobicContact CE2-CE1 4.38Å; Y361-Y379 AromaticContact CZ-CD1 3.94Å; Y361-Y379 AromaticContact CZ-CE1 3.67Å; Y361-Y379 PolarHBondContact N-O 3.1Å; Y361-Y379 WeakPolarHBondContact OH-CE1 2.96Å; N377-Y379 VanDerWaalsContact OD1-CB 3.31Å; N377-Y379 WeakPolarHBondContact OD1-CB 3.31Å; N377-Y379 PolarHBondContact OD1-N 3.31Å; Y379-S381 PolarHBondContact O-N 3.23Å; Y379-S381 VanDerWaalsContact O-N 3.14Å; Y379-V491 HydrophobicContact CE1-CG1 3.9Å; Y379-Y493 AromaticContact CD2-CD1 3.8Å; Y379-Y493 HydrophobicContact CD2-CD1 3.8Å; Y379-Y493 AromaticContact CD2-CE1 3.5Å; Y379-Y493 HydrophobicContact CD2-CE1 3.5Å; Y379-Y493 VanDerWaalsContact CD2-CE1 3.5Å; Y379-Y493 HydrophobicContact CD2-CE2 4.28Å; Y379-Y493 HydrophobicContact CD2-CG 4.3Å; Y379-Y493 AromaticContact CD2-CZ 3.76Å; Y379-Y493 HydrophobicContact CE1-CD1 4.31Å; Y379-Y493 AromaticContact CE2-CD1 3.33Å; Y379-Y493 HydrophobicContact CE2-CD1 3.33Å; Y379-Y493 AromaticContact CE2-CD2 3.7Å; Y379-Y493 HydrophobicContact CE2-CD2 3.7Å; Y379-Y493 AromaticContact CE2-CE1 3.5Å; Y379-Y493 HydrophobicContact CE2-CE1 3.5Å; Y379-Y493 AromaticContact CE2-CE2 3.87Å; Y379-Y493 HydrophobicContact CE2-CE2 3.87Å; Y379-Y493 AromaticContact CE2-CG 3.43Å; Y379-Y493 HydrophobicContact CE2-CG 3.43Å; Y379-Y493 VanDerWaalsContact CE2-CG 3.43Å; Y379-Y493 AromaticContact CE2-CZ 3.77Å; Y379-Y493 HydrophobicContact CG-CD1 4.48Å; Y379-Y493 HydrophobicContact CG-CE1 4.24Å; Y379-Y493 AromaticContact CZ-CD1 3.62Å; Y379-Y493 AromaticContact CZ-CG 3.69Å; Y379-Y493 WeakPolarHBondContact OH-CB 3.34Å; Y379-E567 VanDerWaalsContact CE1-OE2 3.29Å; Y379-E567 WeakPolarHBondContact CE1-OE2 3.17Å; Y379-E567 PolarHBondContact OH-OE2 3.38Å
380	Q	87.3	Confident	71.4	Confident	67 Å²	67	64.5 Å²	64.5	31%	0.313	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	35.7	-174.3	-59.5	-166.4	29.5	0	0	114.6	Y361 N362 T378 S382 E567	Y361-Q380 VanDerWaalsContact CA-O 3.23Å; Y361-Q380 WeakPolarHBondContact CA-O 3.31Å; Y361-Q380 HydrophobicContact CD1-CB 4.01Å; Y361-Q380 HydrophobicContact CE1-CB 4.25Å; Y361-Q380 HydrophobicContact CE1-CG 4.32Å; Y361-Q380 PolarHBondContact N-O 3.21Å; Y361-Q380 VanDerWaalsContact N-O 3.08Å; N362-Q380 PolarHBondContact N-O 3.33Å; T378-Q380 PolarHBondContact O-N 2.83Å; Q380-S382 VanDerWaalsContact C-N 3.3Å; Q380-S382 PolarHBondContact O-N 3.35Å; Q380-E567 PolarHBondContact NE2-OE2 2.86Å; Q380-E567 VanDerWaalsContact NE2-OE2 3.12Å
381	S	88	Confident	70.8	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.339	C	S	.	.			trans	-83.7	0.1	179.1	60	0	0	0	0	114.4	L359 N362 F364 W366 T378 Y379	L359-S381 WeakPolarHBondContact O-CB 3.11Å; N362-S381 CarbonylContact C-O 3.51Å; N362-S381 CarbonylContact O-C 3.48Å; F364-S381 WeakPolarHBondContact CB-O 2.98Å; F364-S381 WeakPolarHBondContact CD2-O 3.42Å; F364-S381 PolarHBondContact N-O 3.13Å; W366-S381 WeakPolarHBondContact CZ2-OG 3.21Å; W366-S381 PolarHBondContact NE1-OG 2.69Å; T378-S381 VanDerWaalsContact O-CB 3.31Å; T378-S381 WeakPolarHBondContact O-CB 3.49Å; T378-S381 PolarHBondContact O-N 3.19Å; T378-S381 VanDerWaalsContact O-N 3.14Å; T378-S381 PolarHBondContact O-OG 3.05Å; Y379-S381 PolarHBondContact O-N 3.23Å; Y379-S381 VanDerWaalsContact O-N 3.14Å
382	S	82.9	Confident	70.5	Confident	12 Å²	12	56.2 Å²	56.2	8%	0.084	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-128.7	145	-173.2	-175.9	0	0	0	0	111.7	N362 F364 Q380 S384	N362-S382 PolarHBondContact O-N 3.31Å; F364-S382 WeakPolarHBondContact O-CA 3.01Å; F364-S382 PolarHBondContact O-OG 2.8Å; Q380-S382 VanDerWaalsContact C-N 3.3Å; Q380-S382 PolarHBondContact O-N 3.35Å; S382-S384 PolarHBondContact OG-N 3.49Å; S382-S384 VanDerWaalsContact OG-N 3.13Å; S382-S384 PolarHBondContact OG-O 3.49Å
383	Y	68.1	Low	70.1	Confident	192 Å²	192	55.3 Å²	55.3	75%	0.753	31%	0.306	S	S	*	.	S	Bend	trans	-70.7	-34.3	168.2	-177.4	-93.4	0	0	0	111.9	K385	Y383-K385 PolarHBondContact O-N 2.73Å
384	S	60.6	Low	69.8	Low	72 Å²	72	54.5 Å²	54.5	50%	0.503	30%	0.296	S	S	.	.			trans	-75.4	113.8	179.7	-56.1	0	0	0	0	110.4	S382 P393	S382-S384 PolarHBondContact OG-N 3.49Å; S382-S384 VanDerWaalsContact OG-N 3.13Å; S382-S384 PolarHBondContact OG-O 3.49Å; S384-P393 WeakPolarHBondContact O-CD 3.4Å
385	K	61	Low	69.2	Low	132 Å²	132	51.2 Å²	51.2	57%	0.574	27%	0.274	S	S	*	.			trans	-95.8	141.4	170.1	-64.2	-177.1	-179.5	-178.5	0	109.6	Y383 N387	Y383-K385 PolarHBondContact O-N 2.73Å; K385-N387 PolarHBondContact O-N 3.27Å
386	N	55.6	Low	68.1	Low	66 Å²	66	54 Å²	54	35%	0.353	29%	0.291	S	S	.	.			trans	-66.5	121.7	166.8	-175.9	-23.8	0	0	0	108.6	L388 T389 G390 L391	N386-L388 PolarHBondContact O-N 2.66Å; N386-L388 VanDerWaalsContact O-N 3.1Å; N386-L388 PolarHBondContact OD1-N 2.79Å; N386-L388 VanDerWaalsContact OD1-N 3.07Å; N386-T389 PolarHBondContact O-N 2.74Å; N386-G390 WeakPolarHBondContact O-CA 3.18Å; N386-G390 PolarHBondContact O-N 2.93Å; N386-L391 WeakPolarHBondContact CB-O 3.23Å; N386-L391 PolarHBondContact N-O 3.25Å
387	N	44.7	Very low	66.6	Low	168 Å²	168	58.6 Å²	58.6	90%	0.898	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-26	-177.4	-69.5	-17.3	0	0	0	113.8	K385	K385-N387 PolarHBondContact O-N 3.27Å
388	L	44.5	Very low	65.3	Low	160 Å²	160	59.3 Å²	59.3	84%	0.838	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-33.2	-176.8	-79.2	152.5	0	0	0	113.9	N386	N386-L388 PolarHBondContact O-N 2.66Å; N386-L388 VanDerWaalsContact O-N 3.1Å; N386-L388 PolarHBondContact OD1-N 2.79Å; N386-L388 VanDerWaalsContact OD1-N 3.07Å
389	T	49.7	Very low	64.2	Low	28 Å²	28	65.3 Å²	65.3	17%	0.172	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-15	-172.2	58.2	0	0	0	0	113.4	N386 L391 A398	N386-T389 PolarHBondContact O-N 2.74Å; T389-L391 PolarHBondContact O-N 3.49Å; T389-L391 WeakPolarHBondContact OG1-CB 3.22Å; T389-L391 PolarHBondContact OG1-N 2.78Å; T389-A398 HydrophobicContact CG2-CB 3.87Å
390	G	52.2	Low	63.5	Low	31 Å²	31	67.5 Å²	67.5	32%	0.32	37%	0.374	S	S	.	.	S	Bend	trans	70.2	-2.9	-167.2	0	0	0	0	0	114.1	N386	N386-G390 WeakPolarHBondContact O-CA 3.18Å; N386-G390 PolarHBondContact O-N 2.93Å
391	L	59.3	Low	63.2	Low	5 Å²	5	72.6 Å²	72.6	3%	0.026	40%	0.396	C	S	.	.			trans	-86.2	149.8	-176.9	-62.1	172.3	0	0	0	111.5	N386 T389 A395 A398 M565	N386-L391 WeakPolarHBondContact CB-O 3.23Å; N386-L391 PolarHBondContact N-O 3.25Å; T389-L391 PolarHBondContact O-N 3.49Å; T389-L391 WeakPolarHBondContact OG1-CB 3.22Å; T389-L391 PolarHBondContact OG1-N 2.78Å; L391-A395 HydrophobicContact CB-CB 3.68Å; L391-A395 HydrophobicContact CD1-CB 4.28Å; L391-A395 HydrophobicContact CG-CB 4.48Å; L391-A398 HydrophobicContact CD1-CB 3.76Å; L391-M565 HydrophobicContact CD2-CE 3.99Å; L391-M565 HydrophobicContact CD2-SD 4.21Å
392	P	60	Low	63	Low	15 Å²	15	79 Å²	79	10%	0.097	42%	0.423	C	S	.	.			trans	-65.1	159.9	179	24.9	-32.4	0	0	0	112.6	C394 A395	P392-C394 PolarHBondContact O-N 3.01Å; P392-C394 VanDerWaalsContact O-N 3.1Å; P392-A395 HydrophobicContact CG-CB 4.34Å; P392-A395 VanDerWaalsContact O-CB 3.23Å; P392-A395 WeakPolarHBondContact O-CB 3.29Å; P392-A395 PolarHBondContact O-N 2.54Å
393	P	57.5	Low	63.4	Low	56 Å²	56	84.4 Å²	84.4	36%	0.364	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-25.9	-177.6	19.5	-31.8	0	0	0	114.6	W366 S384 A395	W366-P393 HydrophobicContact CB-CG 4.2Å; S384-P393 WeakPolarHBondContact O-CD 3.4Å; P393-A395 VanDerWaalsContact C-N 3.32Å
394	C	65.6	Low	64.5	Low	9 Å²	9	76.1 Å²	76.1	6%	0.061	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-2.6	175.6	-56.7	0	0	0	0	114.7	W366 C370 P392	W366-C394 VanDerWaalsContact CG-SG 3.57Å; C370-C394 HydrophobicContact CB-CB 3.91Å; C370-C394 WeakPolarHBondContact CB-SG 3.32Å; C370-C394 WeakPolarHBondContact SG-CB 3.3Å; C370-C394 CovalentContact SG-SG 2.02Å; C370-C394 PolarHBondContact SG-SG 3.42Å; P392-C394 PolarHBondContact O-N 3.01Å; P392-C394 VanDerWaalsContact O-N 3.1Å
395	A	67.1	Low	66.2	Low	17 Å²	17	76.4 Å²	76.4	14%	0.14	40%	0.401	C	S	.	.	S	Bend	trans	-77.8	149	175.6	0	0	0	0	0	110.2	L391 P392 P393	L391-A395 HydrophobicContact CB-CB 3.68Å; L391-A395 HydrophobicContact CD1-CB 4.28Å; L391-A395 HydrophobicContact CG-CB 4.48Å; P392-A395 HydrophobicContact CG-CB 4.34Å; P392-A395 VanDerWaalsContact O-CB 3.23Å; P392-A395 WeakPolarHBondContact O-CB 3.29Å; P392-A395 PolarHBondContact O-N 2.54Å; P393-A395 VanDerWaalsContact C-N 3.32Å
396	V	64.2	Low	67.9	Low	86 Å²	86	73.6 Å²	73.6	52%	0.521	39%	0.389	S	S	.	.			trans	-61.2	129.2	169.1	178.8	0	0	0	0	106.6	A398 Q442	V396-A398 PolarHBondContact O-N 3.34Å; V396-Q442 PolarHBondContact O-NE2 3.12Å; V396-Q442 PolarHBondContact O-OE1 2.89Å
397	P	60.1	Low	69.8	Low	108 Å²	108	70.7 Å²	70.7	70%	0.701	37%	0.374	S	S	*	.			trans	-52.6	112	177.5	-25.6	33.3	0	0	0	109.9	N399	P397-N399 PolarHBondContact O-N 3.07Å; P397-N399 VanDerWaalsContact O-N 3.13Å
398	A	63.4	Low	72.3	Confident	15 Å²	15	63 Å²	63	12%	0.124	33%	0.332	C	S	.	.			trans	-71.6	109.2	177.1	0	0	0	0	0	108.3	T389 L391 V396 C400 F495	T389-A398 HydrophobicContact CG2-CB 3.87Å; L391-A398 HydrophobicContact CD1-CB 3.76Å; V396-A398 PolarHBondContact O-N 3.34Å; A398-C400 VanDerWaalsContact C-N 3.35Å; A398-C400 PolarHBondContact O-N 3.43Å; A398-C400 VanDerWaalsContact O-N 3.15Å; A398-F495 HydrophobicContact CB-CD2 3.86Å; A398-F495 HydrophobicContact CB-CE2 3.65Å
399	N	67.3	Low	74.9	Confident	129 Å²	129	55.6 Å²	55.6	69%	0.69	29%	0.293	S	S	*	.			trans	-84	82.7	171.6	-168.9	-1.1	0	0	0	109	P397 K401	P397-N399 PolarHBondContact O-N 3.07Å; P397-N399 VanDerWaalsContact O-N 3.13Å; N399-K401 VanDerWaalsContact C-N 3.3Å; N399-K401 PolarHBondContact O-N 3.44Å
400	C	74.7	Confident	77.1	Confident	49 Å²	49	54.4 Å²	54.4	33%	0.331	29%	0.286	S	S	.	.			trans	-67.6	85.1	176.6	-59.8	0	0	0	0	110.3	A398 K402 C496	A398-C400 VanDerWaalsContact C-N 3.35Å; A398-C400 PolarHBondContact O-N 3.43Å; A398-C400 VanDerWaalsContact O-N 3.15Å; C400-K402 PolarHBondContact O-N 3Å; C400-C496 WeakPolarHBondContact CA-SG 3.39Å; C400-C496 HydrophobicContact CB-CB 3.75Å; C400-C496 WeakPolarHBondContact CB-SG 3.34Å; C400-C496 WeakPolarHBondContact SG-CB 3.27Å; C400-C496 CovalentContact SG-SG 2.03Å; C400-C496 PolarHBondContact SG-SG 3.43Å
401	K	80.2	Confident	79.3	Confident	174 Å²	174	52.9 Å²	52.9	76%	0.757	27%	0.271	S	S	*	.	S	Bend	trans	-62.1	-31.1	177.8	-66.1	-177.3	-178.3	175.8	0	112.8	N399	N399-K401 VanDerWaalsContact C-N 3.3Å; N399-K401 PolarHBondContact O-N 3.44Å
402	K	85.1	Confident	80.9	Confident	134 Å²	134	52.9 Å²	52.9	58%	0.583	27%	0.271	S	S	*	.	S	Bend	trans	-156.2	153.7	176	65.1	-179.5	-175.7	174.2	0	109.7	C400 Q404	C400-K402 PolarHBondContact O-N 3Å; K402-Q404 PolarHBondContact O-NE2 3.21Å
403	Y	90.1	Very high	82.5	Confident	127 Å²	127	52.3 Å²	52.3	50%	0.498	27%	0.268	S	S	.	.			trans	-71.9	135.9	169.8	-67.8	-65.6	0	0	0	110.5	C496 L497 H564	Y403-C496 CarbonylContact C-O 3.57Å; Y403-C496 VanDerWaalsContact CA-O 3.29Å; Y403-C496 WeakPolarHBondContact CA-O 3.42Å; Y403-L497 WeakPolarHBondContact CD1-O 3.39Å; Y403-H564 AromaticContact CD1-ND1 3.66Å; Y403-H564 HydrophobicContact CE1-CB 4.39Å; Y403-H564 AromaticContact CE1-CE1 3.47Å; Y403-H564 VanDerWaalsContact CE1-CE1 3.47Å; Y403-H564 WeakPolarHBondContact CE1-CE1 3.23Å; Y403-H564 AromaticContact CE1-CG 3.71Å; Y403-H564 AromaticContact CE1-ND1 3.23Å; Y403-H564 WeakPolarHBondContact CE1-ND1 3.31Å; Y403-H564 AromaticContact CZ-CE1 3.63Å; Y403-H564 AromaticContact CZ-ND1 3.9Å
404	Q	92.2	Very high	84.3	Confident	18 Å²	18	56.1 Å²	56.1	8%	0.084	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-91.4	139.5	176.4	-54.7	-56.3	-35.7	0	0	110	K402 Y445 C496 L497 E498 Y502	K402-Q404 PolarHBondContact O-NE2 3.21Å; Q404-Y445 HydrophobicContact CG-CD1 3.61Å; Q404-Y445 HydrophobicContact CG-CD2 4.22Å; Q404-Y445 HydrophobicContact CG-CE1 3.96Å; Q404-Y445 HydrophobicContact CG-CG 3.75Å; Q404-Y445 PolarHBondContact NE2-OH 3.06Å; Q404-C496 PolarHBondContact N-O 3.38Å; Q404-L497 HydrophobicContact CB-CD2 4.17Å; Q404-L497 WeakPolarHBondContact O-CA 3.46Å; Q404-E498 PolarHBondContact O-N 2.71Å; Q404-Y502 PolarHBondContact O-OH 3.45Å
405	R	95.4	Very high	85.7	Confident	78 Å²	78	61.8 Å²	61.8	29%	0.294	31%	0.307	S	S	.	.	S	Bend	trans	-105.2	-3.7	173.5	-72.9	-177.5	174.6	-162.4	-9.7	112.9	E498 H597 E600	R405-E498 HydrophobicContact CG-CB 4.21Å; R405-E498 WeakPolarHBondContact CG-OE2 3.28Å; R405-E498 IonicContact CZ-OE1 3.9Å; R405-E498 IonicContact CZ-OE2 2.99Å; R405-E498 IonicContact NE-OE1 2.87Å; R405-E498 IonicContact NE-OE2 3.84Å; R405-E498 PolarHBondContact NE-OE2 3.49Å; R405-E498 IonicContact NH2-OE1 3.27Å; R405-E498 PolarHBondContact NH2-OE1 2.96Å; R405-E498 IonicContact NH2-OE2 2.65Å; R405-E498 PolarHBondContact NH2-OE2 2.96Å; R405-H597 HydrophobicContact CB-CB 3.8Å; R405-H597 HydrophobicContact CG-CB 4.22Å; R405-H597 WeakPolarHBondContact O-CA 3.44Å; R405-H597 WeakPolarHBondContact O-CB 3.48Å; R405-H597 PolarHBondContact O-N 2.7Å; R405-E600 HydrophobicContact CB-CB 3.95Å; R405-E600 HydrophobicContact CB-CG 4.12Å
406	F	96	Very high	87	Confident	72 Å²	72	62.2 Å²	62.2	32%	0.316	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	156.7	176.9	61.3	-90.3	0	0	0	110.2	L595 E600	F406-L595 CarbonylContact C-O 3.57Å; F406-L595 WeakPolarHBondContact CA-O 3.24Å; F406-E600 HydrophobicContact CD1-CG 4.14Å
407	L	96.6	Very high	88.4	Confident	6 Å²	6	60.5 Å²	60.5	3%	0.031	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	132.6	173.7	178	65.2	0	0	0	109.6	I409 W446 A494 S594 L595	L407-I409 HydrophobicContact CD1-CG1 4.32Å; L407-I409 HydrophobicContact CD2-CD1 3.92Å; L407-I409 HydrophobicContact CD2-CG1 4.26Å; L407-I409 HydrophobicContact CG-CD1 4.27Å; L407-I409 HydrophobicContact CG-CG1 4.06Å; L407-W446 HydrophobicContact CD1-CG 4.38Å; L407-W446 HydrophobicContact CD2-CB 3.71Å; L407-W446 HydrophobicContact CD2-CG 3.99Å; L407-A494 HydrophobicContact CD2-CB 3.68Å; L407-S594 CarbonylContact O-C 3.49Å; L407-S594 WeakPolarHBondContact O-CA 3.32Å; L407-L595 HydrophobicContact CB-CB 4.23Å; L407-L595 HydrophobicContact CB-CD1 4.16Å; L407-L595 HydrophobicContact CB-CG 4.29Å; L407-L595 HydrophobicContact CD2-CD1 4.02Å; L407-L595 PolarHBondContact N-O 2.79Å; L407-L595 PolarHBondContact O-N 2.87Å
408	H	97.5	Very high	89.8	Confident	7 Å²	7	56 Å²	56	3%	0.032	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	126.1	177.3	-58.1	-73.3	0	0	0	109.2	I425 Y427 Q428 I593 S594 C603	H408-I425 HydrophobicContact CB-CG2 4.46Å; H408-Y427 HydrophobicContact CB-CD1 3.65Å; H408-Y427 HydrophobicContact CB-CD2 4.1Å; H408-Y427 HydrophobicContact CB-CE1 3.92Å; H408-Y427 HydrophobicContact CB-CE2 4.32Å; H408-Y427 HydrophobicContact CB-CG 3.75Å; H408-Q428 PolarHBondContact O-N 3.22Å; H408-I593 CarbonylContact C-O 3.56Å; H408-I593 WeakPolarHBondContact CA-O 3.41Å; H408-S594 WeakPolarHBondContact ND1-CB 3.25Å; H408-S594 PolarHBondContact ND1-OG 3.36Å; H408-C603 PolarHBondContact CE1-SG 3.32Å; H408-C603 PolarHBondContact NE2-O 2.89Å; H408-C603 PolarHBondContact NE2-SG 2.9Å
409	I	97.8	Very high	90.9	Very high	4 Å²	4	64.3 Å²	64.3	2%	0.021	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.6	-176.4	-54.6	163.9	0	0	0	109.4	L407 C411 D430 W446 Y492 A592 I593	L407-I409 HydrophobicContact CD1-CG1 4.32Å; L407-I409 HydrophobicContact CD2-CD1 3.92Å; L407-I409 HydrophobicContact CD2-CG1 4.26Å; L407-I409 HydrophobicContact CG-CD1 4.27Å; L407-I409 HydrophobicContact CG-CG1 4.06Å; I409-C411 PolarHBondContact O-N 3.35Å; I409-D430 HydrophobicContact CG2-CB 3.96Å; I409-W446 HydrophobicContact CD1-CB 4.37Å; I409-W446 HydrophobicContact CD1-CD2 3.63Å; I409-W446 HydrophobicContact CD1-CE3 3.77Å; I409-W446 HydrophobicContact CD1-CG 3.9Å; I409-W446 HydrophobicContact CD1-CZ3 4.35Å; I409-W446 HydrophobicContact CG1-CD2 4.05Å; I409-W446 HydrophobicContact CG1-CE3 4.49Å; I409-W446 HydrophobicContact CG1-CG 4.35Å; I409-W446 HydrophobicContact CG1-CZ2 4.34Å; I409-W446 HydrophobicContact CG2-CH2 3.84Å; I409-W446 HydrophobicContact CG2-CZ2 3.91Å; I409-W446 HydrophobicContact CG2-CZ3 4.22Å; I409-Y492 HydrophobicContact CD1-CD1 4.04Å; I409-Y492 HydrophobicContact CG2-CE1 4.16Å; I409-A592 CarbonylContact O-C 3.54Å; I409-A592 WeakPolarHBondContact O-CA 3.28Å; I409-A592 VanDerWaalsContact O-CB 3.32Å; I409-A592 WeakPolarHBondContact O-CB 3.37Å; I409-I593 HydrophobicContact CB-CB 4.42Å; I409-I593 HydrophobicContact CD1-CB 4.48Å; I409-I593 PolarHBondContact N-O 3.23Å; I409-I593 PolarHBondContact O-N 3.44Å
410	N	97.2	Very high	91.5	Very high	2 Å²	2	60 Å²	60	1%	0.011	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	95	168.8	-177.1	15.4	0	0	0	108.7	G412 G413 E414 V416 Q428 D430 T482 S591	N410-G412 PolarHBondContact O-N 3.01Å; N410-G413 PolarHBondContact O-N 3.14Å; N410-G413 VanDerWaalsContact O-N 3.13Å; N410-E414 PolarHBondContact ND2-O 2.73Å; N410-V416 WeakPolarHBondContact ND2-CG2 3.38Å; N410-Q428 PolarHBondContact N-O 3.35Å; N410-D430 VanDerWaalsContact O-CB 3.3Å; N410-D430 WeakPolarHBondContact O-CB 3.44Å; N410-D430 PolarHBondContact O-N 3.1Å; N410-T482 PolarHBondContact OD1-OG1 3.18Å; N410-S591 PolarHBondContact OD1-O 2.93Å
411	C	97.1	Very high	91.7	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	123.1	-169	-61.3	0	0	0	0	110.8	I409 G413 A483 R484 Y492 I590 S591	I409-C411 PolarHBondContact O-N 3.35Å; C411-G413 PolarHBondContact O-N 3.1Å; C411-A483 CarbonylContact O-C 3.46Å; C411-A483 VanDerWaalsContact O-CA 3.28Å; C411-A483 WeakPolarHBondContact O-CA 3.39Å; C411-R484 HydrophobicContact CB-CB 3.87Å; C411-R484 PolarHBondContact O-N 3.14Å; C411-R484 VanDerWaalsContact O-N 3.11Å; C411-Y492 WeakPolarHBondContact CB-OH 3.42Å; C411-I590 HydrophobicContact CB-CG2 3.97Å; C411-I590 VanDerWaalsContact CB-O 3.28Å; C411-I590 WeakPolarHBondContact CB-O 3.43Å; C411-S591 WeakPolarHBondContact CB-O 3.38Å; C411-S591 PolarHBondContact N-O 2.84Å
412	G	93.8	Very high	91.6	Very high	4 Å²	4	60.5 Å²	60.5	4%	0.041	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	70	9.7	-176.2	0	0	0	0	0	115.1	N410 D430	N410-G412 PolarHBondContact O-N 3.01Å; G412-D430 CarbonylContact C-O 3.46Å; G412-D430 VanDerWaalsContact CA-O 3.22Å; G412-D430 WeakPolarHBondContact CA-O 3.39Å; G412-D430 PolarHBondContact N-O 2.88Å; G412-D430 PolarHBondContact N-OD2 2.9Å
413	G	94	Very high	91.6	Very high	3 Å²	3	54.2 Å²	54.2	3%	0.031	27%	0.265	C	S	.	.	S	Bend	trans	-126.8	173.7	-174.7	0	0	0	0	0	114.2	N410 C411 T429 D430 N431 T482	N410-G413 PolarHBondContact O-N 3.14Å; N410-G413 VanDerWaalsContact O-N 3.13Å; C411-G413 PolarHBondContact O-N 3.1Å; G413-T429 WeakPolarHBondContact O-CA 3.46Å; G413-T429 PolarHBondContact O-OG1 2.96Å; G413-T429 VanDerWaalsContact O-OG1 3.11Å; G413-D430 CarbonylContact O-C 3.47Å; G413-D430 PolarHBondContact O-N 3.28Å; G413-N431 PolarHBondContact O-N 2.03Å; G413-T482 WeakPolarHBondContact CA-OG1 3.39Å
414	E	94.4	Very high	91.7	Very high	137 Å²	137	51 Å²	51	64%	0.64	25%	0.253	S	S	*	.			trans	-78.8	173.4	174.3	-59.6	-167.9	157.7	0	0	111.9	N410 V416 N431	N410-E414 PolarHBondContact ND2-O 2.73Å; E414-V416 PolarHBondContact O-N 3.14Å; E414-N431 HydrophobicContact CG-CB 4.28Å
415	E	95.7	Very high	91.7	Very high	127 Å²	127	50.9 Å²	50.9	59%	0.593	25%	0.253	S	S	*	.			trans	-60.7	129.1	175	-177.1	175.2	103.1	0	0	110.7	T426 Y427	E415-T426 HydrophobicContact CG-CG2 3.6Å; E415-Y427 WeakPolarHBondContact CA-O 3.47Å; E415-Y427 WeakPolarHBondContact CG-O 3.05Å
416	V	94.4	Very high	91.7	Very high	26 Å²	26	49 Å²	49	16%	0.158	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132.9	179.9	171.1	0	0	0	0	109.8	N410 E414 I418 Y427 D478	N410-V416 WeakPolarHBondContact ND2-CG2 3.38Å; E414-V416 PolarHBondContact O-N 3.14Å; V416-I418 HydrophobicContact CG1-CG2 3.95Å; V416-Y427 PolarHBondContact N-O 3.49Å; V416-Y427 PolarHBondContact O-N 3.3Å; V416-D478 HydrophobicContact CG1-CB 3.72Å
417	S	92.7	Very high	91.7	Very high	50 Å²	50	46 Å²	46	35%	0.35	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	114.9	175.6	-73.9	0	0	0	0	110.8	K424 I425 T426	S417-K424 WeakPolarHBondContact OG-CE 3.43Å; S417-K424 PolarHBondContact OG-NZ 3.09Å; S417-I425 CarbonylContact C-O 3.22Å; S417-I425 WeakPolarHBondContact CA-O 3.45Å; S417-T426 PolarHBondContact OG-OG1 3.46Å
418	I	90.1	Very high	91.7	Very high	13 Å²	13	48.9 Å²	48.9	7%	0.067	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	145.7	178.5	67.5	167.9	0	0	0	110.4	V416 K424 I425 Y427 Y476	V416-I418 HydrophobicContact CG1-CG2 3.95Å; I418-K424 CarbonylContact O-C 3.3Å; I418-K424 WeakPolarHBondContact O-CA 2.95Å; I418-I425 HydrophobicContact CG1-CB 4.06Å; I418-I425 PolarHBondContact N-O 2.81Å; I418-I425 PolarHBondContact O-N 3.16Å; I418-Y427 HydrophobicContact CD1-CD2 4.38Å; I418-Y427 HydrophobicContact CD1-CE2 3.54Å; I418-Y427 HydrophobicContact CG1-CD2 4.32Å; I418-Y427 HydrophobicContact CG1-CE2 3.9Å; I418-Y476 HydrophobicContact CB-CD1 3.63Å; I418-Y476 HydrophobicContact CB-CE1 4.3Å; I418-Y476 HydrophobicContact CB-CG 4.15Å; I418-Y476 HydrophobicContact CD1-CD1 3.81Å; I418-Y476 HydrophobicContact CD1-CD2 4.11Å; I418-Y476 HydrophobicContact CD1-CE1 4.12Å; I418-Y476 HydrophobicContact CD1-CE2 4.43Å; I418-Y476 HydrophobicContact CD1-CG 3.79Å; I418-Y476 HydrophobicContact CG1-CD1 4.19Å; I418-Y476 HydrophobicContact CG2-CD1 4.2Å; I418-Y476 HydrophobicContact CG2-CG 4.3Å
419	R	85.7	Confident	91.6	Very high	190 Å²	190	50.6 Å²	50.6	72%	0.717	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	123.4	175.7	-70.1	-173.2	-173.8	-171.8	2.9	110.5	G423 K424 Y476	R419-G423 CarbonylContact C-O 3.51Å; R419-G423 WeakPolarHBondContact CA-O 3.29Å; R419-K424 HydrophobicContact CG-CB 4.36Å; R419-K424 HydrophobicContact CG-CG 4.45Å; R419-Y476 WeakPolarHBondContact O-CE1 3.31Å
420	N	81.4	Confident	91.4	Very high	40 Å²	40	50.4 Å²	50.4	21%	0.214	26%	0.26	C	S	.	.			trans	-116	-175.7	174	68.4	14	0	0	0	110.6	L422 G423 Y476	N420-L422 PolarHBondContact O-N 2.9Å; N420-L422 WeakPolarHBondContact OD1-CA 3.32Å; N420-L422 WeakPolarHBondContact OD1-CB 3.38Å; N420-L422 PolarHBondContact OD1-N 3.23Å; N420-G423 PolarHBondContact N-O 2.87Å; N420-G423 PolarHBondContact O-N 2.95Å; N420-G423 PolarHBondContact OD1-N 2.94Å; N420-G423 PolarHBondContact OD1-O 2.83Å; N420-G423 VanDerWaalsContact OD1-O 3.09Å; N420-Y476 HydrophobicContact CB-CE1 4.03Å; N420-Y476 WeakPolarHBondContact CB-OH 3.13Å
421	S	78.6	Confident	90.7	Very high	128 Å²	128	53.7 Å²	53.7	90%	0.895	28%	0.278	S	S	*	.	S	Bend	trans	-61.7	-23	177.9	52.3	0	0	0	0	114.1
422	L	78.3	Confident	89.7	Confident	105 Å²	105	54.6 Å²	54.6	55%	0.55	28%	0.284	S	S	.	.	S	Bend	trans	-87.8	-28.5	-179.7	-64.7	165	0	0	0	112.4	N420 V605	N420-L422 PolarHBondContact O-N 2.9Å; N420-L422 WeakPolarHBondContact OD1-CA 3.32Å; N420-L422 WeakPolarHBondContact OD1-CB 3.38Å; N420-L422 PolarHBondContact OD1-N 3.23Å; L422-V605 VanDerWaalsContact C-CG1 3.47Å; L422-V605 HydrophobicContact CB-CG1 4.1Å; L422-V605 HydrophobicContact CB-CG2 4.29Å; L422-V605 WeakPolarHBondContact O-CG1 3.31Å
423	G	85.6	Confident	88.8	Confident	2 Å²	2	65.2 Å²	65.2	2%	0.021	32%	0.323	C	S	.	.			trans	150.8	-147.6	180	0	0	0	0	0	113.1	R419 N420 V605 E606	R419-G423 CarbonylContact C-O 3.51Å; R419-G423 WeakPolarHBondContact CA-O 3.29Å; N420-G423 PolarHBondContact N-O 2.87Å; N420-G423 PolarHBondContact O-N 2.95Å; N420-G423 PolarHBondContact OD1-N 2.94Å; N420-G423 PolarHBondContact OD1-O 2.83Å; N420-G423 VanDerWaalsContact OD1-O 3.09Å; G423-V605 VanDerWaalsContact CA-CG1 3.43Å; G423-E606 WeakPolarHBondContact CA-O 3.23Å
424	K	90.6	Very high	88.1	Confident	59 Å²	59	71.6 Å²	71.6	26%	0.257	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129.7	-178	-176.8	-165.8	171.9	-153.6	0	110.5	S417 I418 R419 V605 E606	S417-K424 WeakPolarHBondContact OG-CE 3.43Å; S417-K424 PolarHBondContact OG-NZ 3.09Å; I418-K424 CarbonylContact O-C 3.3Å; I418-K424 WeakPolarHBondContact O-CA 2.95Å; R419-K424 HydrophobicContact CG-CB 4.36Å; R419-K424 HydrophobicContact CG-CG 4.45Å; K424-V605 WeakPolarHBondContact O-CA 3.42Å; K424-E606 HydrophobicContact CB-CB 4.4Å; K424-E606 PolarHBondContact N-O 3.09Å; K424-E606 IonicContact NZ-OE2 3.35Å; K424-E606 PolarHBondContact O-N 2.92Å
425	I	93.1	Very high	87.9	Confident	15 Å²	15	65.7 Å²	65.7	8%	0.077	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	133.2	171.9	-58.2	175.9	0	0	0	108.4	H408 S417 I418 Y427 V605	H408-I425 HydrophobicContact CB-CG2 4.46Å; S417-I425 CarbonylContact C-O 3.22Å; S417-I425 WeakPolarHBondContact CA-O 3.45Å; I418-I425 HydrophobicContact CG1-CB 4.06Å; I418-I425 PolarHBondContact N-O 2.81Å; I418-I425 PolarHBondContact O-N 3.16Å; I425-Y427 HydrophobicContact CG2-CD2 4.19Å; I425-Y427 HydrophobicContact CG2-CE2 3.85Å; I425-V605 HydrophobicContact CD1-CG2 3.57Å; I425-V605 HydrophobicContact CG1-CB 4.31Å; I425-V605 HydrophobicContact CG1-CG2 3.38Å
426	T	94.7	Very high	87.7	Confident	38 Å²	38	60.6 Å²	60.6	23%	0.233	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.8	177.4	-54.1	0	0	0	0	110	E415 S417	E415-T426 HydrophobicContact CG-CG2 3.6Å; S417-T426 PolarHBondContact OG-OG1 3.46Å
427	Y	96.5	Very high	87.8	Confident	11 Å²	11	59.5 Å²	59.5	4%	0.043	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	122	171	-74.3	-109	0	0	0	108.9	H408 E415 V416 I418 I425 L479 A592 S594	H408-Y427 HydrophobicContact CB-CD1 3.65Å; H408-Y427 HydrophobicContact CB-CD2 4.1Å; H408-Y427 HydrophobicContact CB-CE1 3.92Å; H408-Y427 HydrophobicContact CB-CE2 4.32Å; H408-Y427 HydrophobicContact CB-CG 3.75Å; E415-Y427 WeakPolarHBondContact CA-O 3.47Å; E415-Y427 WeakPolarHBondContact CG-O 3.05Å; V416-Y427 PolarHBondContact N-O 3.49Å; V416-Y427 PolarHBondContact O-N 3.3Å; I418-Y427 HydrophobicContact CD1-CD2 4.38Å; I418-Y427 HydrophobicContact CD1-CE2 3.54Å; I418-Y427 HydrophobicContact CG1-CD2 4.32Å; I418-Y427 HydrophobicContact CG1-CE2 3.9Å; I425-Y427 HydrophobicContact CG2-CD2 4.19Å; I425-Y427 HydrophobicContact CG2-CE2 3.85Å; Y427-L479 HydrophobicContact CD1-CD1 3.56Å; Y427-L479 HydrophobicContact CD2-CD1 4.03Å; Y427-L479 HydrophobicContact CE1-CD1 3.84Å; Y427-L479 HydrophobicContact CE1-CD2 4.01Å; Y427-L479 HydrophobicContact CE2-CD1 4.29Å; Y427-L479 HydrophobicContact CE2-CD2 4.28Å; Y427-L479 HydrophobicContact CG-CD1 3.66Å; Y427-A592 HydrophobicContact CD1-CB 4.01Å; Y427-A592 HydrophobicContact CE1-CB 3.86Å; Y427-S594 WeakPolarHBondContact CE1-OG 3.38Å; Y427-S594 PolarHBondContact OH-OG 3.45Å
428	Q	96	Very high	87.9	Confident	65 Å²	65	57.1 Å²	57.1	30%	0.304	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	153.6	-179.3	-61.8	178.1	9.9	0	0	111.5	H408 N410	H408-Q428 PolarHBondContact O-N 3.22Å; N410-Q428 PolarHBondContact N-O 3.35Å
429	T	95.1	Very high	88	Confident	43 Å²	43	56.7 Å²	56.7	26%	0.264	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	139.5	-179.1	-175.8	0	0	0	0	113.2	G413 N431 W446	G413-T429 WeakPolarHBondContact O-CA 3.46Å; G413-T429 PolarHBondContact O-OG1 2.96Å; G413-T429 VanDerWaalsContact O-OG1 3.11Å; T429-N431 WeakPolarHBondContact OG1-CB 3.29Å; T429-N431 PolarHBondContact OG1-N 3.15Å; T429-N431 PolarHBondContact OG1-ND2 2.85Å; T429-N431 PolarHBondContact OG1-OD1 3.3Å; T429-W446 WeakPolarHBondContact O-CZ2 3.39Å
430	D	94.7	Very high	88.2	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.246	C	C	.	.			trans	-127	45.9	165	-178.4	34.6	0	0	0	109.8	I409 N410 G412 G413 S432 W446 R484 Y492	I409-D430 HydrophobicContact CG2-CB 3.96Å; N410-D430 VanDerWaalsContact O-CB 3.3Å; N410-D430 WeakPolarHBondContact O-CB 3.44Å; N410-D430 PolarHBondContact O-N 3.1Å; G412-D430 CarbonylContact C-O 3.46Å; G412-D430 VanDerWaalsContact CA-O 3.22Å; G412-D430 WeakPolarHBondContact CA-O 3.39Å; G412-D430 PolarHBondContact N-O 2.88Å; G412-D430 PolarHBondContact N-OD2 2.9Å; G413-D430 CarbonylContact O-C 3.47Å; G413-D430 PolarHBondContact O-N 3.28Å; D430-S432 VanDerWaalsContact C-N 3.32Å; D430-S432 PolarHBondContact O-N 2.87Å; D430-W446 HydrophobicContact CB-CH2 3.7Å; D430-W446 HydrophobicContact CB-CZ2 4.48Å; D430-R484 PolarHBondContact O-NH2 3.42Å; D430-R484 IonicContact OD1-CZ 3.62Å; D430-R484 IonicContact OD1-NE 3.76Å; D430-R484 IonicContact OD1-NH2 3.84Å; D430-R484 PolarHBondContact OD1-NH2 3.2Å; D430-R484 IonicContact OD2-CZ 3.47Å; D430-R484 IonicContact OD2-NE 2.83Å; D430-R484 PolarHBondContact OD2-NE 2.91Å; D430-R484 IonicContact OD2-NH2 3.53Å; D430-R484 PolarHBondContact OD2-NH2 3.22Å; D430-Y492 PolarHBondContact OD2-OH 3.04Å
431	N	83.1	Confident	88.6	Confident	72 Å²	72	47 Å²	47	39%	0.385	24%	0.239	S	C	.	.			trans	-90.9	18.7	-177.4	71.3	-12.6	0	0	0	114.2	G413 E414 T429 R433	G413-N431 PolarHBondContact O-N 2.03Å; E414-N431 HydrophobicContact CG-CB 4.28Å; T429-N431 WeakPolarHBondContact OG1-CB 3.29Å; T429-N431 PolarHBondContact OG1-N 3.15Å; T429-N431 PolarHBondContact OG1-ND2 2.85Å; T429-N431 PolarHBondContact OG1-OD1 3.3Å; N431-R433 PolarHBondContact O-N 3.31Å
432	S	76.4	Confident	88.9	Confident	18 Å²	18	42.7 Å²	42.7	13%	0.126	21%	0.205	C	C	.	.			trans	-59.4	117	-175.6	177.1	0	0	0	0	112	D430 Q434 T435 Q441	D430-S432 VanDerWaalsContact C-N 3.32Å; D430-S432 PolarHBondContact O-N 2.87Å; S432-Q434 PolarHBondContact O-N 3.05Å; S432-Q434 PolarHBondContact OG-N 2.93Å; S432-T435 PolarHBondContact O-OG1 3.41Å; S432-Q441 PolarHBondContact OG-NE2 3.45Å; S432-Q441 VanDerWaalsContact OG-NE2 3.11Å; S432-Q441 PolarHBondContact OG-OE1 3.13Å
433	R	73.5	Confident	89.4	Confident	228 Å²	228	40.5 Å²	40.5	86%	0.86	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-6.1	171.9	-62.1	-171.6	-175.9	-148.4	1.3	113.1	N431 T435	N431-R433 PolarHBondContact O-N 3.31Å; R433-T435 VanDerWaalsContact C-N 3.31Å
434	Q	80.3	Confident	89.4	Confident	136 Å²	136	46.6 Å²	46.6	64%	0.636	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-8.4	178.4	-63.3	178.7	-4.8	0	0	112.3	S432 N436 Q441	S432-Q434 PolarHBondContact O-N 3.05Å; S432-Q434 PolarHBondContact OG-N 2.93Å; Q434-N436 PolarHBondContact O-N 2.82Å; Q434-N436 PolarHBondContact O-ND2 3.24Å; Q434-Q441 PolarHBondContact O-NE2 3.49Å
435	T	88.9	Confident	89.4	Confident	13 Å²	13	46 Å²	46	8%	0.08	22%	0.22	C	C	.	.			trans	-70.1	124.3	-177	-55.7	0	0	0	0	109	S432 R433 Q441 N450 Y464 R484	S432-T435 PolarHBondContact O-OG1 3.41Å; R433-T435 VanDerWaalsContact C-N 3.31Å; T435-Q441 PolarHBondContact OG1-NE2 3.45Å; T435-Q441 PolarHBondContact OG1-OE1 3.43Å; T435-N450 HydrophobicContact CG2-CB 3.92Å; T435-Y464 HydrophobicContact CG2-CG 4.2Å; T435-Y464 WeakPolarHBondContact O-CD2 3.15Å; T435-R484 PolarHBondContact OG1-NH2 3.14Å
436	N	93	Very high	89.4	Confident	21 Å²	21	45.3 Å²	45.3	11%	0.112	22%	0.216	C	C	.	.			trans	-142	-174.9	-174.8	64.4	57.4	0	0	0	110.5	Y356 S374 Q434 A438 S439 N450 Y464	Y356-N436 HydrophobicContact CD1-CB 4.19Å; Y356-N436 WeakPolarHBondContact CD1-OD1 3.14Å; Y356-N436 HydrophobicContact CE1-CB 3.69Å; S374-N436 PolarHBondContact O-ND2 3.46Å; Q434-N436 PolarHBondContact O-N 2.82Å; Q434-N436 PolarHBondContact O-ND2 3.24Å; N436-A438 PolarHBondContact O-N 3.23Å; N436-A438 PolarHBondContact OD1-N 2.84Å; N436-A438 PolarHBondContact OD1-O 3.16Å; N436-A438 VanDerWaalsContact OD1-O 3.09Å; N436-S439 PolarHBondContact N-OG 2.95Å; N436-S439 PolarHBondContact O-OG 2.8Å; N436-N450 PolarHBondContact O-ND2 3.14Å; N436-Y464 VanDerWaalsContact CA-CE2 3.45Å
437	A	94.6	Very high	89.3	Confident	3 Å²	3	43.5 Å²	43.5	3%	0.025	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-22.3	-173.3	0	0	0	0	0	115.8	Y335 Y356 T451 G452 D453 Y464	Y335-A437 VanDerWaalsContact CE1-O 3.29Å; Y335-A437 WeakPolarHBondContact CE1-O 3.31Å; Y335-A437 WeakPolarHBondContact OH-CB 3.5Å; Y356-A437 HydrophobicContact CD1-CB 4.28Å; Y356-A437 HydrophobicContact CD2-CB 4.42Å; Y356-A437 HydrophobicContact CG-CB 4.02Å; A437-T451 CarbonylContact O-C 3.57Å; A437-T451 WeakPolarHBondContact O-CA 3.39Å; A437-G452 WeakPolarHBondContact CA-O 3.26Å; A437-G452 WeakPolarHBondContact CB-O 3.46Å; A437-G452 PolarHBondContact O-N 3.14Å; A437-D453 HydrophobicContact CB-CB 4.49Å; A437-Y464 WeakPolarHBondContact CA-OH 3.39Å; A437-Y464 WeakPolarHBondContact CB-OH 3.15Å; A437-Y464 PolarHBondContact N-OH 3.08Å
438	A	94.9	Very high	89.2	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	88.2	171.7	0	0	0	0	0	109	Y335 I357 D358 T375 I376 N377 N436 N450	Y335-A438 HydrophobicContact CE1-CB 4.38Å; I357-A438 VanDerWaalsContact C-CB 3.47Å; I357-A438 WeakPolarHBondContact O-CB 3.48Å; D358-A438 HydrophobicContact CB-CB 4.12Å; T375-A438 CarbonylContact C-O 3.47Å; I376-A438 CarbonylContact C-O 3.47Å; I376-A438 PolarHBondContact N-O 3.07Å; N377-A438 HydrophobicContact CB-CB 4.33Å; N377-A438 PolarHBondContact N-O 3.48Å; N436-A438 PolarHBondContact O-N 3.23Å; N436-A438 PolarHBondContact OD1-N 2.84Å; N436-A438 PolarHBondContact OD1-O 3.16Å; N436-A438 VanDerWaalsContact OD1-O 3.09Å; A438-N450 WeakPolarHBondContact CA-O 3.25Å
439	S	92.8	Very high	89.1	Confident	3 Å²	3	40 Å²	40	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144.2	-175.5	50.3	0	0	0	0	112.1	N436 S449 N450	N436-S439 PolarHBondContact N-OG 2.95Å; N436-S439 PolarHBondContact O-OG 2.8Å; S439-S449 CarbonylContact O-C 3.4Å; S439-S449 WeakPolarHBondContact O-CA 3.09Å; S439-N450 PolarHBondContact N-O 3.26Å; S439-N450 PolarHBondContact O-N 3.47Å
440	N	90.2	Very high	89.2	Confident	11 Å²	11	38 Å²	38	6%	0.059	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	120.7	168.5	175	17.5	0	0	0	107.8	K372 N377 V448 Y493	K372-N440 WeakPolarHBondContact CE-O 2.9Å; K372-N440 PolarHBondContact NZ-O 3.03Å; N377-N440 WeakPolarHBondContact OD1-CB 3.3Å; N440-V448 CarbonylContact C-O 3.51Å; N440-V448 WeakPolarHBondContact CA-O 3.46Å; N440-Y493 PolarHBondContact OD1-OH 2.95Å
441	Q	88.9	Confident	89.3	Confident	16 Å²	16	38 Å²	38	8%	0.075	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.2	179.4	-65.7	169	12.9	0	0	109.7	S432 Q434 T435 F443 G447 V448 Y493	S432-Q441 PolarHBondContact OG-NE2 3.45Å; S432-Q441 VanDerWaalsContact OG-NE2 3.11Å; S432-Q441 PolarHBondContact OG-OE1 3.13Å; Q434-Q441 PolarHBondContact O-NE2 3.49Å; T435-Q441 PolarHBondContact OG1-NE2 3.45Å; T435-Q441 PolarHBondContact OG1-OE1 3.43Å; Q441-F443 HydrophobicContact CB-CE2 4.45Å; Q441-G447 CarbonylContact O-C 3.46Å; Q441-G447 WeakPolarHBondContact O-CA 3.37Å; Q441-V448 HydrophobicContact CB-CG1 3.97Å; Q441-V448 PolarHBondContact N-O 2.76Å; Q441-V448 PolarHBondContact O-N 2.94Å; Q441-Y493 PolarHBondContact O-OH 2.81Å
442	Q	86.2	Confident	89.9	Confident	37 Å²	37	34.7 Å²	34.7	17%	0.173	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	130.8	-176.5	-173.4	-177.6	-28.4	0	0	108.1	V396 F495	V396-Q442 PolarHBondContact O-NE2 3.12Å; V396-Q442 PolarHBondContact O-OE1 2.89Å; Q442-F495 HydrophobicContact CG-CE1 3.81Å; Q442-F495 HydrophobicContact CG-CZ 3.68Å
443	F	88.4	Confident	90.8	Very high	59 Å²	59	34.6 Å²	34.6	26%	0.259	16%	0.158	S	C	.	.			trans	-107	-164	173.5	-57.6	-87.4	0	0	0	109.1	Q441 Y445 W446 V448 F495	Q441-F443 HydrophobicContact CB-CE2 4.45Å; F443-Y445 PolarHBondContact O-N 3Å; F443-W446 WeakPolarHBondContact CA-O 3.4Å; F443-W446 HydrophobicContact CB-CD2 4.37Å; F443-W446 HydrophobicContact CB-CZ2 4.38Å; F443-W446 WeakPolarHBondContact CB-O 3.49Å; F443-W446 HydrophobicContact CD1-CZ2 4.35Å; F443-W446 AromaticContact CD2-CD2 3.81Å; F443-W446 HydrophobicContact CD2-CD2 3.81Å; F443-W446 AromaticContact CD2-CE2 3.72Å; F443-W446 AromaticContact CD2-CE3 3.68Å; F443-W446 HydrophobicContact CD2-CE3 3.68Å; F443-W446 AromaticContact CD2-CH2 3.35Å; F443-W446 HydrophobicContact CD2-CH2 3.35Å; F443-W446 AromaticContact CD2-CZ2 3.51Å; F443-W446 HydrophobicContact CD2-CZ2 3.51Å; F443-W446 AromaticContact CD2-CZ3 3.45Å; F443-W446 HydrophobicContact CD2-CZ3 3.45Å; F443-W446 VanDerWaalsContact CD2-CZ3 3.45Å; F443-W446 HydrophobicContact CE2-CE3 4.08Å; F443-W446 AromaticContact CE2-CH2 3.18Å; F443-W446 HydrophobicContact CE2-CH2 3.18Å; F443-W446 AromaticContact CE2-CZ2 3.77Å; F443-W446 HydrophobicContact CE2-CZ2 3.77Å; F443-W446 AromaticContact CE2-CZ3 3.37Å; F443-W446 HydrophobicContact CE2-CZ3 3.37Å; F443-W446 HydrophobicContact CG-CD2 4.38Å; F443-W446 AromaticContact CG-CE2 3.96Å; F443-W446 HydrophobicContact CG-CH2 4.11Å; F443-W446 AromaticContact CG-CZ2 3.83Å; F443-W446 HydrophobicContact CG-CZ2 3.83Å; F443-W446 AromaticContact CZ-CH2 3.82Å; F443-W446 HydrophobicContact CZ-CH2 3.82Å; F443-W446 HydrophobicContact CZ-CZ2 4.29Å; F443-W446 HydrophobicContact CZ-CZ3 4.39Å; F443-W446 PolarHBondContact N-O 2.96Å; F443-V448 HydrophobicContact CE2-CG1 4.23Å; F443-F495 WeakPolarHBondContact O-CZ 3.43Å
444	D	86.3	Confident	91.8	Very high	131 Å²	131	23.9 Å²	23.9	70%	0.701	12%	0.117	S	C	*	.	S	Bend	trans	-65	-41	-173.8	-70.2	-26.5	0	0	0	114	F495	D444-F495 VanDerWaalsContact O-CE2 3.3Å; D444-F495 WeakPolarHBondContact O-CE2 3.35Å
445	Y	89.8	Confident	92.3	Very high	46 Å²	46	18.5 Å²	18.5	18%	0.18	9%	0.094	C	C	.	.	S	Bend	trans	-134	4.4	-174.3	-57.3	-70.3	0	0	0	113.8	Q404 F443 A494 F495 C496	Q404-Y445 HydrophobicContact CG-CD1 3.61Å; Q404-Y445 HydrophobicContact CG-CD2 4.22Å; Q404-Y445 HydrophobicContact CG-CE1 3.96Å; Q404-Y445 HydrophobicContact CG-CG 3.75Å; Q404-Y445 PolarHBondContact NE2-OH 3.06Å; F443-Y445 PolarHBondContact O-N 3Å; Y445-A494 WeakPolarHBondContact O-CA 3.47Å; Y445-F495 PolarHBondContact O-N 2.91Å; Y445-F495 VanDerWaalsContact O-O 3.08Å; Y445-C496 HydrophobicContact CD1-CB 3.99Å
446	W	93.2	Very high	92.2	Very high	1 Å²	1	18.8 Å²	18.8	0%	0.004	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	168.7	179.8	63.8	-83.7	0	0	0	110.8	L407 I409 T429 D430 F443 V448 Y492 Y493 A494 F495	L407-W446 HydrophobicContact CD1-CG 4.38Å; L407-W446 HydrophobicContact CD2-CB 3.71Å; L407-W446 HydrophobicContact CD2-CG 3.99Å; I409-W446 HydrophobicContact CD1-CB 4.37Å; I409-W446 HydrophobicContact CD1-CD2 3.63Å; I409-W446 HydrophobicContact CD1-CE3 3.77Å; I409-W446 HydrophobicContact CD1-CG 3.9Å; I409-W446 HydrophobicContact CD1-CZ3 4.35Å; I409-W446 HydrophobicContact CG1-CD2 4.05Å; I409-W446 HydrophobicContact CG1-CE3 4.49Å; I409-W446 HydrophobicContact CG1-CG 4.35Å; I409-W446 HydrophobicContact CG1-CZ2 4.34Å; I409-W446 HydrophobicContact CG2-CH2 3.84Å; I409-W446 HydrophobicContact CG2-CZ2 3.91Å; I409-W446 HydrophobicContact CG2-CZ3 4.22Å; T429-W446 WeakPolarHBondContact O-CZ2 3.39Å; D430-W446 HydrophobicContact CB-CH2 3.7Å; D430-W446 HydrophobicContact CB-CZ2 4.48Å; F443-W446 WeakPolarHBondContact CA-O 3.4Å; F443-W446 HydrophobicContact CB-CD2 4.37Å; F443-W446 HydrophobicContact CB-CZ2 4.38Å; F443-W446 WeakPolarHBondContact CB-O 3.49Å; F443-W446 HydrophobicContact CD1-CZ2 4.35Å; F443-W446 AromaticContact CD2-CD2 3.81Å; F443-W446 HydrophobicContact CD2-CD2 3.81Å; F443-W446 AromaticContact CD2-CE2 3.72Å; F443-W446 AromaticContact CD2-CE3 3.68Å; F443-W446 HydrophobicContact CD2-CE3 3.68Å; F443-W446 AromaticContact CD2-CH2 3.35Å; F443-W446 HydrophobicContact CD2-CH2 3.35Å; F443-W446 AromaticContact CD2-CZ2 3.51Å; F443-W446 HydrophobicContact CD2-CZ2 3.51Å; F443-W446 AromaticContact CD2-CZ3 3.45Å; F443-W446 HydrophobicContact CD2-CZ3 3.45Å; F443-W446 VanDerWaalsContact CD2-CZ3 3.45Å; F443-W446 HydrophobicContact CE2-CE3 4.08Å; F443-W446 AromaticContact CE2-CH2 3.18Å; F443-W446 HydrophobicContact CE2-CH2 3.18Å; F443-W446 AromaticContact CE2-CZ2 3.77Å; F443-W446 HydrophobicContact CE2-CZ2 3.77Å; F443-W446 AromaticContact CE2-CZ3 3.37Å; F443-W446 HydrophobicContact CE2-CZ3 3.37Å; F443-W446 HydrophobicContact CG-CD2 4.38Å; F443-W446 AromaticContact CG-CE2 3.96Å; F443-W446 HydrophobicContact CG-CH2 4.11Å; F443-W446 AromaticContact CG-CZ2 3.83Å; F443-W446 HydrophobicContact CG-CZ2 3.83Å; F443-W446 AromaticContact CZ-CH2 3.82Å; F443-W446 HydrophobicContact CZ-CH2 3.82Å; F443-W446 HydrophobicContact CZ-CZ2 4.29Å; F443-W446 HydrophobicContact CZ-CZ3 4.39Å; F443-W446 PolarHBondContact N-O 2.96Å; W446-V448 HydrophobicContact CZ3-CB 4.32Å; W446-Y492 AromaticContact CE3-CD1 3.96Å; W446-Y492 HydrophobicContact CE3-CD1 3.96Å; W446-Y492 HydrophobicContact CE3-CE1 4.3Å; W446-Y492 HydrophobicContact CH2-CE1 4.48Å; W446-Y492 AromaticContact CZ3-CD1 3.86Å; W446-Y492 HydrophobicContact CZ3-CD1 3.86Å; W446-Y492 AromaticContact CZ3-CE1 3.72Å; W446-Y492 HydrophobicContact CZ3-CE1 3.72Å; W446-Y493 CarbonylContact C-O 3.35Å; W446-Y493 WeakPolarHBondContact CA-O 3.18Å; W446-Y493 WeakPolarHBondContact CB-O 3.29Å; W446-A494 HydrophobicContact CB-CB 4.44Å; W446-F495 VanDerWaalsContact C-CE1 3.42Å; W446-F495 VanDerWaalsContact CA-CE1 3.44Å; W446-F495 VanDerWaalsContact N-CE1 3.31Å
447	G	91.8	Very high	91.9	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	170.2	174	0	0	0	0	0	112	Q441 Y492 Y493	Q441-G447 CarbonylContact O-C 3.46Å; Q441-G447 WeakPolarHBondContact O-CA 3.37Å; G447-Y492 WeakPolarHBondContact O-CA 3.39Å; G447-Y493 PolarHBondContact N-O 2.85Å; G447-Y493 WeakPolarHBondContact O-CD1 3.12Å; G447-Y493 PolarHBondContact O-N 3.23Å
448	V	94.5	Very high	91.3	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.012	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	129.9	179.5	62.1	0	0	0	0	109.9	N440 Q441 F443 W446 L490 V491 Y492	N440-V448 CarbonylContact C-O 3.51Å; N440-V448 WeakPolarHBondContact CA-O 3.46Å; Q441-V448 HydrophobicContact CB-CG1 3.97Å; Q441-V448 PolarHBondContact N-O 2.76Å; Q441-V448 PolarHBondContact O-N 2.94Å; F443-V448 HydrophobicContact CE2-CG1 4.23Å; W446-V448 HydrophobicContact CZ3-CB 4.32Å; V448-L490 HydrophobicContact CG2-CD1 3.61Å; V448-V491 CarbonylContact C-O 3.39Å; V448-V491 VanDerWaalsContact CA-O 3.27Å; V448-V491 WeakPolarHBondContact CA-O 3.48Å; V448-Y492 HydrophobicContact CB-CD1 4.33Å; V448-Y492 HydrophobicContact CB-CE1 4.2Å; V448-Y492 HydrophobicContact CG2-CD1 4.46Å; V448-Y492 HydrophobicContact CG2-CE1 4.16Å; V448-Y492 HydrophobicContact CG2-CE2 4.45Å
449	S	94.4	Very high	90.8	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.007	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	120.4	173.5	151.6	0	0	0	0	108.5	N377 S439 V491	N377-S449 PolarHBondContact ND2-OG 2.84Å; S439-S449 CarbonylContact O-C 3.4Å; S439-S449 WeakPolarHBondContact O-CA 3.09Å; S449-V491 PolarHBondContact N-O 2.91Å; S449-V491 PolarHBondContact O-N 2.89Å
450	N	96.5	Very high	90.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.8	-178.1	-177.2	73.1	0	0	0	111.2	T435 N436 A438 S439 Y464 S486 L490	T435-N450 HydrophobicContact CG2-CB 3.92Å; N436-N450 PolarHBondContact O-ND2 3.14Å; A438-N450 WeakPolarHBondContact CA-O 3.25Å; S439-N450 PolarHBondContact N-O 3.26Å; S439-N450 PolarHBondContact O-N 3.47Å; N450-Y464 WeakPolarHBondContact ND2-CD1 3.42Å; N450-Y464 WeakPolarHBondContact ND2-CE1 3.34Å; N450-S486 WeakPolarHBondContact OD1-CB 2.99Å; N450-S486 PolarHBondContact OD1-OG 2.77Å; N450-L490 HydrophobicContact CB-CD1 4.45Å
451	T	97.2	Very high	89.9	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	137.2	179.1	-42.8	0	0	0	0	110.3	Y335 T337 D358 A437 S486 L488 S489	Y335-T451 HydrophobicContact CD1-CG2 3.65Å; Y335-T451 HydrophobicContact CE1-CG2 4.24Å; Y335-T451 HydrophobicContact CG-CG2 4.1Å; T337-T451 HydrophobicContact CG2-CG2 4.04Å; D358-T451 HydrophobicContact CB-CG2 3.88Å; D358-T451 VanDerWaalsContact OD2-CB 3.27Å; D358-T451 WeakPolarHBondContact OD2-CB 3.46Å; D358-T451 WeakPolarHBondContact OD2-CG2 3.27Å; D358-T451 PolarHBondContact OD2-OG1 2.88Å; A437-T451 CarbonylContact O-C 3.57Å; A437-T451 WeakPolarHBondContact O-CA 3.39Å; T451-S486 PolarHBondContact O-OG 2.77Å; T451-S486 VanDerWaalsContact O-OG 3.07Å; T451-L488 HydrophobicContact CG2-CD2 3.82Å; T451-L488 HydrophobicContact CG2-CG 4.41Å; T451-L488 VanDerWaalsContact O-CB 3.3Å; T451-L488 WeakPolarHBondContact O-CB 3.14Å; T451-L488 PolarHBondContact O-N 3.15Å; T451-S489 PolarHBondContact N-O 2.85Å; T451-S489 PolarHBondContact O-N 3Å
452	G	95.5	Very high	89.9	Confident	2 Å²	2	41 Å²	41	2%	0.021	21%	0.211	C	C	.	.			trans	115.3	155.9	166	0	0	0	0	0	115.4	A437 Y464	A437-G452 WeakPolarHBondContact CA-O 3.26Å; A437-G452 WeakPolarHBondContact CB-O 3.46Å; A437-G452 PolarHBondContact O-N 3.14Å; G452-Y464 WeakPolarHBondContact O-CE1 3.17Å; G452-Y464 PolarHBondContact O-OH 2.88Å
453	D	94.8	Very high	90.2	Very high	15 Å²	15	45.4 Å²	45.4	8%	0.08	23%	0.232	C	C	.	.			trans	-119.5	142.7	178.4	175.1	96.9	0	0	0	109.1	R288 I312 N333 Y335 A437 T455 A487 Y586	R288-D453 IonicContact NH1-OD2 2.68Å; I312-D453 HydrophobicContact CD1-CB 4.29Å; I312-D453 VanDerWaalsContact CD1-OD2 3.32Å; I312-D453 WeakPolarHBondContact CD1-OD2 3.49Å; N333-D453 PolarHBondContact ND2-OD1 2.7Å; Y335-D453 VanDerWaalsContact OH-CB 3.26Å; Y335-D453 WeakPolarHBondContact OH-CB 3.29Å; Y335-D453 PolarHBondContact OH-N 3.31Å; A437-D453 HydrophobicContact CB-CB 4.49Å; D453-T455 HydrophobicContact CB-CG2 4.4Å; D453-T455 WeakPolarHBondContact O-CG2 2.92Å; D453-T455 PolarHBondContact O-N 3.25Å; D453-A487 WeakPolarHBondContact O-CB 3.47Å; D453-Y586 PolarHBondContact O-OH 2.79Å
454	F	94.9	Very high	90.5	Very high	3 Å²	3	43 Å²	43	1%	0.013	22%	0.221	C	C	.	.			trans	-78.2	66	179.8	-71.4	-72.3	0	0	0	111.9	D456 D457 D462 Y464 R485 A487 G584 Y586	F454-D456 PolarHBondContact O-N 2.83Å; F454-D457 VanDerWaalsContact O-CG 3.22Å; F454-D457 PolarHBondContact O-N 2.8Å; F454-D462 HydrophobicContact CD2-CB 3.99Å; F454-D462 PolarHBondContact N-OD2 2.67Å; F454-Y464 HydrophobicContact CE2-CE1 4.31Å; F454-R485 VanDerWaalsContact CZ-NH2 3.27Å; F454-A487 HydrophobicContact CD1-CB 3.66Å; F454-A487 HydrophobicContact CD2-CB 4.14Å; F454-A487 HydrophobicContact CE1-CB 3.61Å; F454-A487 HydrophobicContact CE2-CB 4.11Å; F454-A487 HydrophobicContact CG-CB 3.92Å; F454-A487 HydrophobicContact CZ-CB 3.84Å; F454-G584 VanDerWaalsContact CD1-O 3.29Å; F454-G584 WeakPolarHBondContact CD1-O 3.27Å; F454-Y586 WeakPolarHBondContact CA-OH 3.41Å; F454-Y586 HydrophobicContact CD1-CD1 4.14Å; F454-Y586 HydrophobicContact CD1-CD2 4.41Å; F454-Y586 AromaticContact CD1-CE1 3.71Å; F454-Y586 HydrophobicContact CD1-CE1 3.71Å; F454-Y586 AromaticContact CD1-CE2 3.98Å; F454-Y586 HydrophobicContact CD1-CE2 3.98Å; F454-Y586 HydrophobicContact CD1-CG 4.5Å; F454-Y586 AromaticContact CD1-CZ 3.64Å; F454-Y586 HydrophobicContact CE1-CD2 4.38Å; F454-Y586 HydrophobicContact CE1-CE2 4.27Å; F454-Y586 WeakPolarHBondContact CE1-O 3.42Å
455	T	91.1	Very high	90.9	Very high	24 Å²	24	40.4 Å²	40.4	15%	0.147	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-14.2	-165.3	62.9	0	0	0	0	118.4	I290 I312 D453 Y586	I290-T455 HydrophobicContact CD1-CG2 4.18Å; I312-T455 HydrophobicContact CD1-CG2 3.68Å; D453-T455 HydrophobicContact CB-CG2 4.4Å; D453-T455 WeakPolarHBondContact O-CG2 2.92Å; D453-T455 PolarHBondContact O-N 3.25Å; T455-Y586 PolarHBondContact N-OH 2.82Å
456	D	87	Confident	91	Very high	18 Å²	18	39.2 Å²	39.2	10%	0.096	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-3.3	-176.1	86.9	-37.9	0	0	0	114.8	F454 T578 R583 G584 Y586	F454-D456 PolarHBondContact O-N 2.83Å; D456-T578 WeakPolarHBondContact OD2-CB 3.45Å; D456-T578 PolarHBondContact OD2-OG1 2.67Å; D456-R583 WeakPolarHBondContact O-CB 3.49Å; D456-R583 WeakPolarHBondContact O-CD 3.48Å; D456-R583 IonicContact OD2-NH1 3.54Å; D456-R583 PolarHBondContact OD2-NH1 2.85Å; D456-G584 WeakPolarHBondContact OD1-CA 3.42Å; D456-G584 PolarHBondContact OD1-N 2.82Å; D456-Y586 WeakPolarHBondContact OD1-CE1 3.35Å
457	D	87	Confident	91	Very high	48 Å²	48	42.5 Å²	42.5	26%	0.257	22%	0.222	S	C	.	.	S	Bend	trans	-93.9	-8.9	-178.9	71	1	0	0	0	114.7	F454 S459 R583	F454-D457 VanDerWaalsContact O-CG 3.22Å; F454-D457 PolarHBondContact O-N 2.8Å; D457-S459 PolarHBondContact O-N 3.45Å; D457-S459 VanDerWaalsContact OD1-CB 3.31Å; D457-S459 WeakPolarHBondContact OD1-CB 3.49Å; D457-S459 PolarHBondContact OD1-N 2.85Å; D457-S459 WeakPolarHBondContact OD2-CB 3.27Å; D457-R583 HydrophobicContact CB-CB 4.25Å
458	N	81.3	Confident	90.9	Very high	134 Å²	134	43.3 Å²	43.3	72%	0.717	23%	0.227	S	C	*	.			trans	57.1	24.8	-173	-58.7	-47.3	0	0	0	114.2
459	S	85.9	Confident	90.4	Very high	38 Å²	38	51 Å²	51	27%	0.266	27%	0.268	S	S	.	.			trans	-89.4	150.8	172.5	-168.1	0	0	0	0	110.8	D457 H461	D457-S459 PolarHBondContact O-N 3.45Å; D457-S459 VanDerWaalsContact OD1-CB 3.31Å; D457-S459 WeakPolarHBondContact OD1-CB 3.49Å; D457-S459 PolarHBondContact OD1-N 2.85Å; D457-S459 WeakPolarHBondContact OD2-CB 3.27Å; S459-H461 PolarHBondContact OG-N 3.08Å; S459-H461 PolarHBondContact OG-O 2.77Å
460	D	79.1	Confident	89.7	Confident	109 Å²	109	53.2 Å²	53.2	58%	0.583	28%	0.28	S	S	*	.	S	Bend	trans	-103.7	-3.5	164.9	-79.8	-39.6	0	0	0	111.8	K332	K332-D460 IonicContact NZ-OD1 3.97Å; K332-D460 PolarHBondContact NZ-OD1 3.12Å; K332-D460 IonicContact NZ-OD2 3.38Å
461	H	83.5	Confident	88.8	Confident	165 Å²	165	60.2 Å²	60.2	76%	0.764	32%	0.323	S	S	*	.			trans	-125.4	99.2	-175.8	-62.1	82.9	0	0	0	109	S459	S459-H461 PolarHBondContact OG-N 3.08Å; S459-H461 PolarHBondContact OG-O 2.77Å
462	D	89.9	Confident	88	Confident	28 Å²	28	61.3 Å²	61.3	15%	0.15	33%	0.329	C	S	.	.			trans	-100.9	137.8	-179.6	-76.2	-18.3	0	0	0	111.7	F454 Y464	F454-D462 HydrophobicContact CD2-CB 3.99Å; F454-D462 PolarHBondContact N-OD2 2.67Å; D462-Y464 HydrophobicContact CB-CE2 3.73Å
463	E	91.2	Very high	86.8	Confident	129 Å²	129	66.9 Å²	66.9	60%	0.603	37%	0.367	S	S	*	.			trans	-97.7	124.3	169.9	-67.9	-174.2	171	0	0	110.6
464	Y	94.9	Very high	85.8	Confident	9 Å²	9	69 Å²	69	4%	0.035	39%	0.392	C	S	.	.	S	Bend	trans	-96.9	16.5	-179	-64.4	-84.8	0	0	0	113.2	T435 N436 A437 N450 G452 F454 D462 R484 R485	T435-Y464 HydrophobicContact CG2-CG 4.2Å; T435-Y464 WeakPolarHBondContact O-CD2 3.15Å; N436-Y464 VanDerWaalsContact CA-CE2 3.45Å; A437-Y464 WeakPolarHBondContact CA-OH 3.39Å; A437-Y464 WeakPolarHBondContact CB-OH 3.15Å; A437-Y464 PolarHBondContact N-OH 3.08Å; N450-Y464 WeakPolarHBondContact ND2-CD1 3.42Å; N450-Y464 WeakPolarHBondContact ND2-CE1 3.34Å; G452-Y464 WeakPolarHBondContact O-CE1 3.17Å; G452-Y464 PolarHBondContact O-OH 2.88Å; F454-Y464 HydrophobicContact CE2-CE1 4.31Å; D462-Y464 HydrophobicContact CB-CE2 3.73Å; Y464-R484 WeakPolarHBondContact O-CD 3.2Å; Y464-R485 CarbonylContact C-O 3.4Å; Y464-R485 PolarHBondContact O-N 3.41Å
465	Y	94.5	Very high	84.7	Confident	76 Å²	76	75 Å²	75	30%	0.298	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	166.8	168.6	65.7	-87.5	0	0	0	108.3	A483	Y465-A483 CarbonylContact C-O 3.53Å; Y465-A483 VanDerWaalsContact CA-O 3.31Å; Y465-A483 WeakPolarHBondContact CA-O 3.49Å
466	T	93.3	Very high	84.1	Confident	21 Å²	21	77.5 Å²	77.5	13%	0.129	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	150.8	174.8	-174.9	0	0	0	0	109.1	T482 A483 I511 Q512 L589	T466-T482 CarbonylContact O-C 3.54Å; T466-T482 WeakPolarHBondContact O-CA 3.47Å; T466-A483 HydrophobicContact CG2-CB 4.28Å; T466-A483 PolarHBondContact N-O 3.29Å; T466-A483 PolarHBondContact O-N 3.09Å; T466-I511 HydrophobicContact CG2-CD1 3.88Å; T466-I511 HydrophobicContact CG2-CG1 3.86Å; T466-Q512 HydrophobicContact CG2-CG 3.71Å; T466-L589 HydrophobicContact CG2-CD1 3.69Å
467	S	93.2	Very high	83.9	Confident	69 Å²	69	78.9 Å²	78.9	48%	0.483	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	154.9	179.8	59	0	0	0	0	111.2	K481	S467-K481 CarbonylContact C-O 3.56Å; S467-K481 VanDerWaalsContact CA-O 3.24Å; S467-K481 WeakPolarHBondContact CA-O 3.34Å
468	T	89.4	Confident	83.9	Confident	17 Å²	17	80 Å²	80	10%	0.104	45%	0.448	C	S	.	.			trans	-119.9	137	172.9	-173.4	0	0	0	0	110.8	L470 L472 K481 I511 M550	T468-L470 VanDerWaalsContact C-N 3.28Å; T468-L470 WeakPolarHBondContact OG1-CG 3.35Å; T468-L470 PolarHBondContact OG1-N 3.42Å; T468-L472 HydrophobicContact CG2-CD1 4.33Å; T468-K481 PolarHBondContact N-O 3.06Å; T468-I511 HydrophobicContact CG2-CB 4.34Å; T468-I511 HydrophobicContact CG2-CG2 4.19Å; T468-M550 HydrophobicContact CG2-CE 4.04Å
469	N	83.5	Confident	84.4	Confident	163 Å²	163	73.7 Å²	73.7	87%	0.872	41%	0.414	S	S	*	.			trans	-90.9	7.3	174.4	-65.9	-21.1	0	0	0	112.1
470	L	80.5	Confident	84.8	Confident	49 Å²	49	72.5 Å²	72.5	26%	0.257	40%	0.404	S	S	.	.	S	Bend	trans	-75.9	142.1	-178.9	-63.1	175.2	0	0	0	110.9	T468 L472 K516 M550	T468-L470 VanDerWaalsContact C-N 3.28Å; T468-L470 WeakPolarHBondContact OG1-CG 3.35Å; T468-L470 PolarHBondContact OG1-N 3.42Å; L470-L472 PolarHBondContact O-N 2.98Å; L470-K516 VanDerWaalsContact CD2-CE 3.49Å; L470-M550 HydrophobicContact CB-CE 4.23Å; L470-M550 HydrophobicContact CD1-CE 3.61Å; L470-M550 HydrophobicContact CD1-CG 4.38Å; L470-M550 HydrophobicContact CD1-SD 3.97Å; L470-M550 HydrophobicContact CG-CE 4.46Å
471	T	77.2	Confident	85.5	Confident	146 Å²	146	71.7 Å²	71.7	90%	0.896	40%	0.395	S	S	*	.			trans	-71.4	111.1	168.6	-49.2	0	0	0	0	108.6
472	L	80.3	Confident	86	Confident	25 Å²	25	65 Å²	65	13%	0.131	37%	0.366	C	S	.	.			trans	-88.1	137.7	-179.6	-60.1	168.5	0	0	0	110	T468 L470 P477 K481 M509 M550	T468-L472 HydrophobicContact CG2-CD1 4.33Å; L470-L472 PolarHBondContact O-N 2.98Å; L472-P477 HydrophobicContact CB-CB 3.75Å; L472-P477 WeakPolarHBondContact CD1-O 3.33Å; L472-P477 WeakPolarHBondContact O-CB 3.42Å; L472-K481 HydrophobicContact CD1-CG 4.22Å; L472-M509 HydrophobicContact CD1-CE 3.64Å; L472-M509 HydrophobicContact CD2-CE 3.57Å; L472-M509 HydrophobicContact CD2-SD 4.39Å; L472-M509 HydrophobicContact CG-CE 4.25Å; L472-M550 HydrophobicContact CD2-CE 3.44Å; L472-M550 VanDerWaalsContact CD2-CE 3.44Å
473	S	71.5	Confident	86.3	Confident	118 Å²	118	63.7 Å²	63.7	83%	0.825	36%	0.359	S	S	*	.			trans	-102.7	155.4	171.2	57.1	0	0	0	0	110.5
474	G	72.8	Confident	86.6	Confident	60 Å²	60	57.6 Å²	57.6	62%	0.619	33%	0.33	S	S	*	.	S	Bend	trans	109.7	-169.7	-179.6	0	0	0	0	0	113.4	Y476	G474-Y476 PolarHBondContact O-N 3.26Å
475	D	71.2	Confident	86.7	Confident	128 Å²	128	57.9 Å²	57.9	68%	0.684	33%	0.331	S	S	*	.	S	Bend	trans	-74.3	123.3	-177.4	-64	-31.4	0	0	0	110.7
476	Y	79.8	Confident	86.8	Confident	77 Å²	77	54.2 Å²	54.2	30%	0.302	32%	0.317	S	S	.	.			trans	62	58.9	173.6	-36.5	-65.2	0	0	0	115.5	I418 R419 N420 G474 D478 L479	I418-Y476 HydrophobicContact CB-CD1 3.63Å; I418-Y476 HydrophobicContact CB-CE1 4.3Å; I418-Y476 HydrophobicContact CB-CG 4.15Å; I418-Y476 HydrophobicContact CD1-CD1 3.81Å; I418-Y476 HydrophobicContact CD1-CD2 4.11Å; I418-Y476 HydrophobicContact CD1-CE1 4.12Å; I418-Y476 HydrophobicContact CD1-CE2 4.43Å; I418-Y476 HydrophobicContact CD1-CG 3.79Å; I418-Y476 HydrophobicContact CG1-CD1 4.19Å; I418-Y476 HydrophobicContact CG2-CD1 4.2Å; I418-Y476 HydrophobicContact CG2-CG 4.3Å; R419-Y476 WeakPolarHBondContact O-CE1 3.31Å; N420-Y476 HydrophobicContact CB-CE1 4.03Å; N420-Y476 WeakPolarHBondContact CB-OH 3.13Å; G474-Y476 PolarHBondContact O-N 3.26Å; Y476-D478 PolarHBondContact O-N 3.27Å; Y476-D478 VanDerWaalsContact O-N 3.14Å; Y476-L479 WeakPolarHBondContact O-CB 2.97Å; Y476-L479 PolarHBondContact O-N 2.78Å
477	P	81.8	Confident	86.9	Confident	47 Å²	47	53.3 Å²	53.3	31%	0.305	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-58.6	-32	-174.7	24.5	-35.1	0	0	0	113.8	L472 L479 Y480	L472-P477 HydrophobicContact CB-CB 3.75Å; L472-P477 WeakPolarHBondContact CD1-O 3.33Å; L472-P477 WeakPolarHBondContact O-CB 3.42Å; P477-L479 PolarHBondContact O-N 3.12Å; P477-Y480 PolarHBondContact O-N 3.32Å
478	D	87.9	Confident	87.1	Confident	73 Å²	73	50.2 Å²	50.2	39%	0.39	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-64.4	-26.5	179.9	-65.2	-43.5	0	0	0	113.3	V416 Y476 Y480 K481	V416-D478 HydrophobicContact CG1-CB 3.72Å; Y476-D478 PolarHBondContact O-N 3.27Å; Y476-D478 VanDerWaalsContact O-N 3.14Å; D478-Y480 VanDerWaalsContact C-N 3.26Å; D478-Y480 PolarHBondContact O-N 3.27Å; D478-K481 VanDerWaalsContact OD1-CE 3.27Å; D478-K481 WeakPolarHBondContact OD1-CE 3.42Å; D478-K481 IonicContact OD1-NZ 2.73Å; D478-K481 PolarHBondContact OD1-NZ 3.09Å
479	L	92.1	Very high	87.6	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-71.7	-21.1	180	-169.5	62.6	0	0	0	112.9	Y427 Y476 P477 A592	Y427-L479 HydrophobicContact CD1-CD1 3.56Å; Y427-L479 HydrophobicContact CD2-CD1 4.03Å; Y427-L479 HydrophobicContact CE1-CD1 3.84Å; Y427-L479 HydrophobicContact CE1-CD2 4.01Å; Y427-L479 HydrophobicContact CE2-CD1 4.29Å; Y427-L479 HydrophobicContact CE2-CD2 4.28Å; Y427-L479 HydrophobicContact CG-CD1 3.66Å; Y476-L479 WeakPolarHBondContact O-CB 2.97Å; Y476-L479 PolarHBondContact O-N 2.78Å; P477-L479 PolarHBondContact O-N 3.12Å; L479-A592 HydrophobicContact CD1-CB 3.6Å; L479-A592 HydrophobicContact CD2-CB 4Å; L479-A592 HydrophobicContact CG-CB 3.79Å
480	Y	94.2	Very high	88.2	Confident	12 Å²	12	41.7 Å²	41.7	5%	0.047	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-111.7	9.8	-176.7	-57.4	-84.5	0	0	0	113.2	P477 D478 T482 H507 M509 P552	P477-Y480 PolarHBondContact O-N 3.32Å; D478-Y480 VanDerWaalsContact C-N 3.26Å; D478-Y480 PolarHBondContact O-N 3.27Å; Y480-T482 PolarHBondContact O-N 3.28Å; Y480-H507 HydrophobicContact CE1-CB 3.88Å; Y480-H507 AromaticContact CZ-ND1 3.8Å; Y480-H507 PolarHBondContact OH-ND1 2.94Å; Y480-M509 HydrophobicContact CD1-CB 3.75Å; Y480-M509 HydrophobicContact CD1-SD 4.41Å; Y480-M509 HydrophobicContact CE1-CB 4.5Å; Y480-M509 HydrophobicContact CG-CB 4.42Å; Y480-M509 HydrophobicContact CG-CE 4.37Å; Y480-M509 HydrophobicContact CG-SD 4.2Å; Y480-M509 WeakPolarHBondContact O-CE 3.16Å; Y480-P552 HydrophobicContact CD1-CB 4.06Å; Y480-P552 HydrophobicContact CD2-CB 4.26Å; Y480-P552 HydrophobicContact CE1-CB 3.53Å; Y480-P552 HydrophobicContact CE2-CB 3.76Å; Y480-P552 HydrophobicContact CE2-CG 4.41Å; Y480-P552 HydrophobicContact CG-CB 4.4Å
481	K	93.1	Very high	89.1	Confident	93 Å²	93	39.4 Å²	39.4	40%	0.404	23%	0.232	S	C	.	.	S	Bend	trans	-67.4	-26.4	173.8	-79.7	-179	174.8	166.6	0	112.9	S467 T468 L472 D478	S467-K481 CarbonylContact C-O 3.56Å; S467-K481 VanDerWaalsContact CA-O 3.24Å; S467-K481 WeakPolarHBondContact CA-O 3.34Å; T468-K481 PolarHBondContact N-O 3.06Å; L472-K481 HydrophobicContact CD1-CG 4.22Å; D478-K481 VanDerWaalsContact OD1-CE 3.27Å; D478-K481 WeakPolarHBondContact OD1-CE 3.42Å; D478-K481 IonicContact OD1-NZ 2.73Å; D478-K481 PolarHBondContact OD1-NZ 3.09Å
482	T	94.7	Very high	90	Very high	24 Å²	24	32.7 Å²	32.7	15%	0.147	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	155.7	-177.7	47.6	0	0	0	0	110.6	N410 G413 T466 Y480	N410-T482 PolarHBondContact OD1-OG1 3.18Å; G413-T482 WeakPolarHBondContact CA-OG1 3.39Å; T466-T482 CarbonylContact O-C 3.54Å; T466-T482 WeakPolarHBondContact O-CA 3.47Å; Y480-T482 PolarHBondContact O-N 3.28Å
483	A	96.2	Very high	90.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	144.1	169.9	0	0	0	0	0	110.5	C411 Y465 T466 I511 L589 I590	C411-A483 CarbonylContact O-C 3.46Å; C411-A483 VanDerWaalsContact O-CA 3.28Å; C411-A483 WeakPolarHBondContact O-CA 3.39Å; Y465-A483 CarbonylContact C-O 3.53Å; Y465-A483 VanDerWaalsContact CA-O 3.31Å; Y465-A483 WeakPolarHBondContact CA-O 3.49Å; T466-A483 HydrophobicContact CG2-CB 4.28Å; T466-A483 PolarHBondContact N-O 3.29Å; T466-A483 PolarHBondContact O-N 3.09Å; A483-I511 HydrophobicContact CB-CD1 3.9Å; A483-I511 HydrophobicContact CB-CG1 4.43Å; A483-L589 HydrophobicContact CB-CD1 3.58Å; A483-L589 HydrophobicContact CB-CD2 4.49Å; A483-L589 HydrophobicContact CB-CG 3.85Å; A483-I590 CarbonylContact C-O 3.2Å; A483-I590 VanDerWaalsContact CA-O 3.27Å; A483-I590 WeakPolarHBondContact CA-O 3.13Å; A483-I590 WeakPolarHBondContact CB-O 3.46Å
484	R	96.8	Very high	91.8	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	140.3	167.7	-173.3	65.9	83.6	-175.5	8.8	109.2	C411 D430 T435 Y464 L490 Y492 L589 I590	C411-R484 HydrophobicContact CB-CB 3.87Å; C411-R484 PolarHBondContact O-N 3.14Å; C411-R484 VanDerWaalsContact O-N 3.11Å; D430-R484 PolarHBondContact O-NH2 3.42Å; D430-R484 IonicContact OD1-CZ 3.62Å; D430-R484 IonicContact OD1-NE 3.76Å; D430-R484 IonicContact OD1-NH2 3.84Å; D430-R484 PolarHBondContact OD1-NH2 3.2Å; D430-R484 IonicContact OD2-CZ 3.47Å; D430-R484 IonicContact OD2-NE 2.83Å; D430-R484 PolarHBondContact OD2-NE 2.91Å; D430-R484 IonicContact OD2-NH2 3.53Å; D430-R484 PolarHBondContact OD2-NH2 3.22Å; T435-R484 PolarHBondContact OG1-NH2 3.14Å; Y464-R484 WeakPolarHBondContact O-CD 3.2Å; R484-L490 HydrophobicContact CB-CD2 4.18Å; R484-L490 HydrophobicContact CG-CD1 3.88Å; R484-L490 HydrophobicContact CG-CD2 3.61Å; R484-L490 HydrophobicContact CG-CG 4.39Å; R484-Y492 WeakPolarHBondContact CB-OH 3.14Å; R484-Y492 VanDerWaalsContact CG-OH 3.25Å; R484-Y492 WeakPolarHBondContact CG-OH 3.29Å; R484-L589 CarbonylContact O-C 3.53Å; R484-L589 VanDerWaalsContact O-CA 3.29Å; R484-L589 WeakPolarHBondContact O-CA 3.5Å; R484-I590 HydrophobicContact CB-CG2 4.19Å; R484-I590 PolarHBondContact N-O 2.02Å; R484-I590 PolarHBondContact O-N 3.13Å
485	R	96.4	Very high	92.6	Very high	15 Å²	15	23.5 Å²	23.5	6%	0.057	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	159.6	174.7	66.7	176.4	-57.1	-155.4	-3	112.3	F454 Y464 G584 N585 Y586 P588 L589	F454-R485 VanDerWaalsContact CZ-NH2 3.27Å; Y464-R485 CarbonylContact C-O 3.4Å; Y464-R485 PolarHBondContact O-N 3.41Å; R485-G584 PolarHBondContact NH1-O 2.91Å; R485-G584 PolarHBondContact NH2-O 3.15Å; R485-N585 PolarHBondContact NH1-OD1 2.7Å; R485-Y586 PolarHBondContact NH2-O 3.46Å; R485-P588 WeakPolarHBondContact CA-O 3.1Å; R485-P588 WeakPolarHBondContact CB-O 3.37Å; R485-L589 HydrophobicContact CB-CD1 3.91Å
486	S	96.9	Very high	93.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.086	C	C	.	.			trans	-144.9	158	178.6	-176.4	0	0	0	0	111.1	N450 T451 S489 G587 P588	N450-S486 WeakPolarHBondContact OD1-CB 2.99Å; N450-S486 PolarHBondContact OD1-OG 2.77Å; T451-S486 PolarHBondContact O-OG 2.77Å; T451-S486 VanDerWaalsContact O-OG 3.07Å; S486-S489 PolarHBondContact OG-O 3.16Å; S486-S489 VanDerWaalsContact OG-O 3.13Å; S486-G587 WeakPolarHBondContact O-CA 3.44Å; S486-P588 PolarHBondContact N-O 2.93Å; S486-P588 WeakPolarHBondContact O-CD 3.29Å
487	A	96.6	Very high	94.2	Very high	2 Å²	2	14 Å²	14	2%	0.017	7%	0.072	C	C	.	.	S	Bend	trans	-88.1	-25.1	177.1	0	0	0	0	0	112.7	D453 F454 Y586	D453-A487 WeakPolarHBondContact O-CB 3.47Å; F454-A487 HydrophobicContact CD1-CB 3.66Å; F454-A487 HydrophobicContact CD2-CB 4.14Å; F454-A487 HydrophobicContact CE1-CB 3.61Å; F454-A487 HydrophobicContact CE2-CB 4.11Å; F454-A487 HydrophobicContact CG-CB 3.92Å; F454-A487 HydrophobicContact CZ-CB 3.84Å; A487-Y586 HydrophobicContact CB-CE2 4.31Å; A487-Y586 WeakPolarHBondContact O-CE2 3.38Å
488	L	97.2	Very high	94.7	Very high	4 Å²	4	14 Å²	14	2%	0.021	7%	0.069	C	C	.	.	S	Bend	trans	-136	-66.1	-176.4	166.8	59.4	0	0	0	112.5	F317 T451 Y571 W572	F317-L488 HydrophobicContact CE2-CD1 4.16Å; F317-L488 HydrophobicContact CE2-CG 4.42Å; T451-L488 HydrophobicContact CG2-CD2 3.82Å; T451-L488 HydrophobicContact CG2-CG 4.41Å; T451-L488 VanDerWaalsContact O-CB 3.3Å; T451-L488 WeakPolarHBondContact O-CB 3.14Å; T451-L488 PolarHBondContact O-N 3.15Å; L488-Y571 HydrophobicContact CD1-CD2 4.16Å; L488-Y571 HydrophobicContact CD1-CE2 3.75Å; L488-W572 PolarHBondContact O-N 3.34Å
489	S	98.2	Very high	95	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.007	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	134.5	-177.3	-164.8	0	0	0	0	111.8	T451 S486 L570	T451-S489 PolarHBondContact N-O 2.85Å; T451-S489 PolarHBondContact O-N 3Å; S486-S489 PolarHBondContact OG-O 3.16Å; S486-S489 VanDerWaalsContact OG-O 3.13Å; S489-L570 WeakPolarHBondContact CA-O 3.3Å; S489-L570 PolarHBondContact OG-O 3.48Å
490	L	98.1	Very high	95	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	118.6	177.3	-179	62.7	0	0	0	109	V448 N450 R484 Y492 R569 L570 I590	V448-L490 HydrophobicContact CG2-CD1 3.61Å; N450-L490 HydrophobicContact CB-CD1 4.45Å; R484-L490 HydrophobicContact CB-CD2 4.18Å; R484-L490 HydrophobicContact CG-CD1 3.88Å; R484-L490 HydrophobicContact CG-CD2 3.61Å; R484-L490 HydrophobicContact CG-CG 4.39Å; L490-Y492 HydrophobicContact CD1-CE2 4.23Å; L490-Y492 HydrophobicContact CD2-CE2 3.9Å; L490-Y492 HydrophobicContact CG-CD2 4.34Å; L490-Y492 HydrophobicContact CG-CE2 3.96Å; L490-R569 CarbonylContact O-C 3.55Å; L490-R569 WeakPolarHBondContact O-CA 3.35Å; L490-L570 HydrophobicContact CB-CB 4.44Å; L490-L570 PolarHBondContact N-O 2.88Å; L490-L570 PolarHBondContact O-N 3.19Å; L490-I590 HydrophobicContact CD2-CG2 3.92Å
491	V	97.5	Very high	95.1	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.006	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	121	-179.5	-178.4	0	0	0	0	109	Y361 Y379 V448 S449 Y493 E567 I568 R569	Y361-V491 HydrophobicContact CE2-CG2 4.41Å; Y379-V491 HydrophobicContact CE1-CG1 3.9Å; V448-V491 CarbonylContact C-O 3.39Å; V448-V491 VanDerWaalsContact CA-O 3.27Å; V448-V491 WeakPolarHBondContact CA-O 3.48Å; S449-V491 PolarHBondContact N-O 2.91Å; S449-V491 PolarHBondContact O-N 2.89Å; V491-Y493 HydrophobicContact CG1-CD1 4.47Å; V491-E567 HydrophobicContact CG1-CG 3.62Å; V491-I568 CarbonylContact C-O 3.55Å; V491-I568 VanDerWaalsContact CA-O 3.31Å; V491-I568 WeakPolarHBondContact CA-O 3.39Å; V491-R569 HydrophobicContact CG2-CB 4.01Å; V491-R569 HydrophobicContact CG2-CG 3.8Å
492	Y	97.8	Very high	95.3	Very high	4 Å²	4	9.3 Å²	9.3	2%	0.016	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	130.7	161	-74.6	-92.6	0	0	0	108.7	I409 C411 D430 W446 G447 V448 R484 L490 I568 I590 I593	I409-Y492 HydrophobicContact CD1-CD1 4.04Å; I409-Y492 HydrophobicContact CG2-CE1 4.16Å; C411-Y492 WeakPolarHBondContact CB-OH 3.42Å; D430-Y492 PolarHBondContact OD2-OH 3.04Å; W446-Y492 AromaticContact CE3-CD1 3.96Å; W446-Y492 HydrophobicContact CE3-CD1 3.96Å; W446-Y492 HydrophobicContact CE3-CE1 4.3Å; W446-Y492 HydrophobicContact CH2-CE1 4.48Å; W446-Y492 AromaticContact CZ3-CD1 3.86Å; W446-Y492 HydrophobicContact CZ3-CD1 3.86Å; W446-Y492 AromaticContact CZ3-CE1 3.72Å; W446-Y492 HydrophobicContact CZ3-CE1 3.72Å; G447-Y492 WeakPolarHBondContact O-CA 3.39Å; V448-Y492 HydrophobicContact CB-CD1 4.33Å; V448-Y492 HydrophobicContact CB-CE1 4.2Å; V448-Y492 HydrophobicContact CG2-CD1 4.46Å; V448-Y492 HydrophobicContact CG2-CE1 4.16Å; V448-Y492 HydrophobicContact CG2-CE2 4.45Å; R484-Y492 WeakPolarHBondContact CB-OH 3.14Å; R484-Y492 VanDerWaalsContact CG-OH 3.25Å; R484-Y492 WeakPolarHBondContact CG-OH 3.29Å; L490-Y492 HydrophobicContact CD1-CE2 4.23Å; L490-Y492 HydrophobicContact CD2-CE2 3.9Å; L490-Y492 HydrophobicContact CG-CD2 4.34Å; L490-Y492 HydrophobicContact CG-CE2 3.96Å; Y492-I568 PolarHBondContact N-O 2.77Å; Y492-I568 PolarHBondContact O-N 2.93Å; Y492-I590 HydrophobicContact CE2-CG2 3.91Å; Y492-I593 HydrophobicContact CD1-CD1 3.88Å; Y492-I593 HydrophobicContact CD2-CD1 3.5Å; Y492-I593 HydrophobicContact CE1-CD1 4.42Å; Y492-I593 HydrophobicContact CE2-CD1 4.07Å; Y492-I593 HydrophobicContact CG-CD1 3.37Å
493	Y	94.3	Very high	95.4	Very high	3 Å²	3	9.6 Å²	9.6	1%	0.012	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	123.4	175.6	61.4	-87.2	0	0	0	109.8	Y379 N440 Q441 W446 G447 V491 F495 M565 L566	Y379-Y493 AromaticContact CD2-CD1 3.8Å; Y379-Y493 HydrophobicContact CD2-CD1 3.8Å; Y379-Y493 AromaticContact CD2-CE1 3.5Å; Y379-Y493 HydrophobicContact CD2-CE1 3.5Å; Y379-Y493 VanDerWaalsContact CD2-CE1 3.5Å; Y379-Y493 HydrophobicContact CD2-CE2 4.28Å; Y379-Y493 HydrophobicContact CD2-CG 4.3Å; Y379-Y493 AromaticContact CD2-CZ 3.76Å; Y379-Y493 HydrophobicContact CE1-CD1 4.31Å; Y379-Y493 AromaticContact CE2-CD1 3.33Å; Y379-Y493 HydrophobicContact CE2-CD1 3.33Å; Y379-Y493 AromaticContact CE2-CD2 3.7Å; Y379-Y493 HydrophobicContact CE2-CD2 3.7Å; Y379-Y493 AromaticContact CE2-CE1 3.5Å; Y379-Y493 HydrophobicContact CE2-CE1 3.5Å; Y379-Y493 AromaticContact CE2-CE2 3.87Å; Y379-Y493 HydrophobicContact CE2-CE2 3.87Å; Y379-Y493 AromaticContact CE2-CG 3.43Å; Y379-Y493 HydrophobicContact CE2-CG 3.43Å; Y379-Y493 VanDerWaalsContact CE2-CG 3.43Å; Y379-Y493 AromaticContact CE2-CZ 3.77Å; Y379-Y493 HydrophobicContact CG-CD1 4.48Å; Y379-Y493 HydrophobicContact CG-CE1 4.24Å; Y379-Y493 AromaticContact CZ-CD1 3.62Å; Y379-Y493 AromaticContact CZ-CG 3.69Å; Y379-Y493 WeakPolarHBondContact OH-CB 3.34Å; N440-Y493 PolarHBondContact OD1-OH 2.95Å; Q441-Y493 PolarHBondContact O-OH 2.81Å; W446-Y493 CarbonylContact C-O 3.35Å; W446-Y493 WeakPolarHBondContact CA-O 3.18Å; W446-Y493 WeakPolarHBondContact CB-O 3.29Å; G447-Y493 PolarHBondContact N-O 2.85Å; G447-Y493 WeakPolarHBondContact O-CD1 3.12Å; G447-Y493 PolarHBondContact O-N 3.23Å; V491-Y493 HydrophobicContact CG1-CD1 4.47Å; Y493-F495 AromaticContact CD2-CD1 3.92Å; Y493-F495 HydrophobicContact CD2-CD1 3.92Å; Y493-F495 HydrophobicContact CD2-CE1 4.38Å; Y493-F495 AromaticContact CE2-CD1 3.95Å; Y493-F495 HydrophobicContact CE2-CD1 3.95Å; Y493-F495 AromaticContact CE2-CE1 4Å; Y493-F495 HydrophobicContact CE2-CE1 4Å; Y493-M565 HydrophobicContact CD2-CE 4.21Å; Y493-L566 CarbonylContact C-O 3.59Å; Y493-L566 VanDerWaalsContact CA-O 3.27Å; Y493-L566 WeakPolarHBondContact CA-O 3.48Å
494	A	94.3	Very high	95.5	Very high	4 Å²	4	9.6 Å²	9.6	3%	0.033	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	147.2	170.1	0	0	0	0	0	109.6	L407 Y445 W446 L497 M565 L566 L595	L407-A494 HydrophobicContact CD2-CB 3.68Å; Y445-A494 WeakPolarHBondContact O-CA 3.47Å; W446-A494 HydrophobicContact CB-CB 4.44Å; A494-L497 HydrophobicContact CB-CD1 3.78Å; A494-L497 HydrophobicContact CB-CD2 4.31Å; A494-L497 HydrophobicContact CB-CG 4.1Å; A494-M565 CarbonylContact O-C 3.56Å; A494-M565 WeakPolarHBondContact O-CA 3.32Å; A494-L566 HydrophobicContact CB-CB 4.32Å; A494-L566 PolarHBondContact N-O 2.82Å; A494-L566 PolarHBondContact O-N 2.93Å; A494-L595 HydrophobicContact CB-CD1 3.67Å
495	F	90.4	Very high	95.6	Very high	3 Å²	3	12.6 Å²	12.6	1%	0.013	6%	0.064	C	C	.	.			trans	-141.6	171.3	177.2	56.4	-93.6	0	0	0	110.4	A398 Q442 F443 D444 Y445 W446 Y493 L497 H564 M565	A398-F495 HydrophobicContact CB-CD2 3.86Å; A398-F495 HydrophobicContact CB-CE2 3.65Å; Q442-F495 HydrophobicContact CG-CE1 3.81Å; Q442-F495 HydrophobicContact CG-CZ 3.68Å; F443-F495 WeakPolarHBondContact O-CZ 3.43Å; D444-F495 VanDerWaalsContact O-CE2 3.3Å; D444-F495 WeakPolarHBondContact O-CE2 3.35Å; Y445-F495 PolarHBondContact O-N 2.91Å; Y445-F495 VanDerWaalsContact O-O 3.08Å; W446-F495 VanDerWaalsContact C-CE1 3.42Å; W446-F495 VanDerWaalsContact CA-CE1 3.44Å; W446-F495 VanDerWaalsContact N-CE1 3.31Å; Y493-F495 AromaticContact CD2-CD1 3.92Å; Y493-F495 HydrophobicContact CD2-CD1 3.92Å; Y493-F495 HydrophobicContact CD2-CE1 4.38Å; Y493-F495 AromaticContact CE2-CD1 3.95Å; Y493-F495 HydrophobicContact CE2-CD1 3.95Å; Y493-F495 AromaticContact CE2-CE1 4Å; Y493-F495 HydrophobicContact CE2-CE1 4Å; F495-L497 PolarHBondContact O-N 3.21Å; F495-H564 CarbonylContact C-O 3.31Å; F495-H564 VanDerWaalsContact CA-O 3.28Å; F495-H564 WeakPolarHBondContact CA-O 3.46Å; F495-M565 HydrophobicContact CB-CG 3.99Å
496	C	90.8	Very high	95.7	Very high	4 Å²	4	11.9 Å²	11.9	3%	0.027	6%	0.061	C	C	.	.	S	Bend	trans	55.9	28.5	-167.2	-46.8	0	0	0	0	113.1	C400 Y403 Q404 Y445 H564	C400-C496 WeakPolarHBondContact CA-SG 3.39Å; C400-C496 HydrophobicContact CB-CB 3.75Å; C400-C496 WeakPolarHBondContact CB-SG 3.34Å; C400-C496 WeakPolarHBondContact SG-CB 3.27Å; C400-C496 CovalentContact SG-SG 2.03Å; C400-C496 PolarHBondContact SG-SG 3.43Å; Y403-C496 CarbonylContact C-O 3.57Å; Y403-C496 VanDerWaalsContact CA-O 3.29Å; Y403-C496 WeakPolarHBondContact CA-O 3.42Å; Q404-C496 PolarHBondContact N-O 3.38Å; Y445-C496 HydrophobicContact CD1-CB 3.99Å; C496-H564 PolarHBondContact N-O 3.04Å; C496-H564 VanDerWaalsContact N-O 3.16Å
497	L	92.6	Very high	95.7	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.005	6%	0.064	C	C	.	.	B	Isolated β-bridge	trans	-78	145.8	174.3	-66.6	-176.4	0	0	0	110.3	Y403 Q404 A494 F495 Y502 V561 H564 L566 L595	Y403-L497 WeakPolarHBondContact CD1-O 3.39Å; Q404-L497 HydrophobicContact CB-CD2 4.17Å; Q404-L497 WeakPolarHBondContact O-CA 3.46Å; A494-L497 HydrophobicContact CB-CD1 3.78Å; A494-L497 HydrophobicContact CB-CD2 4.31Å; A494-L497 HydrophobicContact CB-CG 4.1Å; F495-L497 PolarHBondContact O-N 3.21Å; L497-Y502 HydrophobicContact CB-CE2 4.34Å; L497-Y502 HydrophobicContact CD1-CE1 4.44Å; L497-Y502 HydrophobicContact CD1-CE2 4.47Å; L497-Y502 HydrophobicContact CD2-CE1 4.22Å; L497-V561 HydrophobicContact CB-CG1 4.17Å; L497-V561 HydrophobicContact CD1-CG2 4.1Å; L497-H564 PolarHBondContact N-O 2.87Å; L497-H564 WeakPolarHBondContact O-CA 3.37Å; L497-H564 WeakPolarHBondContact O-CB 3.28Å; L497-H564 PolarHBondContact O-ND1 2.53Å; L497-L566 HydrophobicContact CD1-CB 3.51Å; L497-L595 HydrophobicContact CD1-CD1 4.28Å
498	E	93.4	Very high	95.7	Very high	49 Å²	49	12.4 Å²	12.4	23%	0.229	6%	0.063	C	C	.	.	P	Polyproline II helix	trans	-65.8	135.3	167.1	-171.2	164.4	157.8	0	0	109.6	Q404 R405 G500 Y502	Q404-E498 PolarHBondContact O-N 2.71Å; R405-E498 HydrophobicContact CG-CB 4.21Å; R405-E498 WeakPolarHBondContact CG-OE2 3.28Å; R405-E498 IonicContact CZ-OE1 3.9Å; R405-E498 IonicContact CZ-OE2 2.99Å; R405-E498 IonicContact NE-OE1 2.87Å; R405-E498 IonicContact NE-OE2 3.84Å; R405-E498 PolarHBondContact NE-OE2 3.49Å; R405-E498 IonicContact NH2-OE1 3.27Å; R405-E498 PolarHBondContact NH2-OE1 2.96Å; R405-E498 IonicContact NH2-OE2 2.65Å; R405-E498 PolarHBondContact NH2-OE2 2.96Å; E498-G500 PolarHBondContact O-N 3.49Å; E498-Y502 PolarHBondContact N-OH 2.89Å; E498-Y502 WeakPolarHBondContact O-CE2 3.37Å; E498-Y502 PolarHBondContact O-OH 3.46Å
499	N	93	Very high	95.6	Very high	53 Å²	53	12.3 Å²	12.3	28%	0.283	6%	0.063	S	C	.	.	S	Bend	trans	-67	135.4	177.9	-74	-24.3	0	0	0	110.6	V561 T562 N563 H564	N499-V561 CarbonylContact C-O 3.59Å; N499-V561 VanDerWaalsContact CA-O 3.3Å; N499-V561 WeakPolarHBondContact CA-O 3.28Å; N499-V561 WeakPolarHBondContact CB-O 3.47Å; N499-V561 PolarHBondContact OD1-O 2.76Å; N499-T562 PolarHBondContact ND2-O 2.78Å; N499-T562 PolarHBondContact OD1-O 2.76Å; N499-N563 PolarHBondContact OD1-N 3.15Å; N499-H564 VanDerWaalsContact CG-CE1 3.48Å; N499-H564 PolarHBondContact ND2-CE1 3.02Å; N499-H564 PolarHBondContact ND2-NE2 2.81Å; N499-H564 PolarHBondContact OD1-N 3.36Å; N499-H564 PolarHBondContact OD1-ND1 2.8Å
500	G	93.3	Very high	95.5	Very high	7 Å²	7	12.3 Å²	12.3	7%	0.072	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.3	-165.6	-175.9	0	0	0	0	0	111.8	E498 T560 V561	E498-G500 PolarHBondContact O-N 3.49Å; G500-T560 WeakPolarHBondContact O-CA 3.32Å; G500-V561 PolarHBondContact N-O 2.83Å; G500-V561 PolarHBondContact O-N 2.81Å
501	N	95.8	Very high	95.2	Very high	20 Å²	20	12.9 Å²	12.9	11%	0.107	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	132.4	179.8	-71.3	-13.3	0	0	0	109.7	T560 H597 S598 V993	N501-T560 PolarHBondContact OD1-OG1 2.84Å; N501-H597 WeakPolarHBondContact O-CA 3.23Å; N501-H597 PolarHBondContact O-CD2 2.82Å; N501-S598 WeakPolarHBondContact O-CB 3.23Å; N501-S598 PolarHBondContact O-N 3.3Å; N501-S598 PolarHBondContact O-OG 2.69Å; N501-V993 HydrophobicContact CB-CG1 4.38Å; N501-V993 WeakPolarHBondContact ND2-CG1 3.38Å
502	Y	97.2	Very high	94.9	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.8	172.3	-72.9	-101.8	0	0	0	109	Q404 L497 E498 N558 A559 V561 L566 L595 C596 H597	Q404-Y502 PolarHBondContact O-OH 3.45Å; L497-Y502 HydrophobicContact CB-CE2 4.34Å; L497-Y502 HydrophobicContact CD1-CE1 4.44Å; L497-Y502 HydrophobicContact CD1-CE2 4.47Å; L497-Y502 HydrophobicContact CD2-CE1 4.22Å; E498-Y502 PolarHBondContact N-OH 2.89Å; E498-Y502 WeakPolarHBondContact O-CE2 3.37Å; E498-Y502 PolarHBondContact O-OH 3.46Å; Y502-N558 CarbonylContact O-C 3.58Å; Y502-N558 VanDerWaalsContact O-CA 3.31Å; Y502-N558 WeakPolarHBondContact O-CA 3.21Å; Y502-A559 PolarHBondContact N-O 2.55Å; Y502-A559 PolarHBondContact O-N 3.47Å; Y502-V561 HydrophobicContact CD2-CB 4.05Å; Y502-V561 HydrophobicContact CD2-CG2 3.48Å; Y502-V561 VanDerWaalsContact CD2-CG2 3.48Å; Y502-V561 HydrophobicContact CE2-CB 3.91Å; Y502-V561 HydrophobicContact CE2-CG2 3.72Å; Y502-V561 HydrophobicContact CG-CG2 4.41Å; Y502-L566 HydrophobicContact CG-CD1 4.45Å; Y502-L595 HydrophobicContact CD1-CB 4.09Å; Y502-C596 CarbonylContact C-O 3.58Å; Y502-C596 VanDerWaalsContact CA-O 3.3Å; Y502-C596 WeakPolarHBondContact CA-O 3.41Å; Y502-H597 HydrophobicContact CD1-CB 4.06Å; Y502-H597 HydrophobicContact CE1-CB 3.61Å; Y502-H597 HydrophobicContact CE2-CB 4.49Å; Y502-H597 AromaticContact CE2-CD2 3.53Å; Y502-H597 AromaticContact CZ-CD2 3.56Å
503	N	97.2	Very high	94.6	Very high	29 Å²	29	14 Å²	14	16%	0.155	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	117.9	159.7	-175.6	-98.4	0	0	0	108.5	K505 E556 N558 C596	N503-K505 WeakPolarHBondContact OD1-CE 3.26Å; N503-E556 VanDerWaalsContact CG-OE1 3.27Å; N503-E556 WeakPolarHBondContact ND2-CG 2.99Å; N503-E556 PolarHBondContact ND2-OE1 3.29Å; N503-E556 PolarHBondContact OD1-OE1 2.86Å; N503-E556 VanDerWaalsContact OD1-OE1 3.12Å; N503-N558 WeakPolarHBondContact CA-OD1 3.32Å; N503-N558 PolarHBondContact ND2-OD1 2.85Å; N503-N558 VanDerWaalsContact ND2-OD1 3.08Å; N503-C596 HydrophobicContact CB-CB 4.32Å; N503-C596 PolarHBondContact N-O 2.66Å; N503-C596 PolarHBondContact O-N 3.11Å
504	V	97.9	Very high	93.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	117.2	-178.2	-178.1	0	0	0	0	108	L506 E556 I557 A559 L566 I568 S594 L595	V504-L506 HydrophobicContact CG1-CD2 3.81Å; V504-L506 HydrophobicContact CG1-CG 4.24Å; V504-E556 CarbonylContact O-C 3.59Å; V504-E556 VanDerWaalsContact O-CA 3.29Å; V504-E556 WeakPolarHBondContact O-CA 3.35Å; V504-I557 WeakPolarHBondContact CA-O 3.15Å; V504-I557 HydrophobicContact CB-CG2 3.99Å; V504-I557 VanDerWaalsContact CB-O 3.29Å; V504-I557 WeakPolarHBondContact CB-O 3.3Å; V504-I557 HydrophobicContact CG1-CG2 4.42Å; V504-I557 PolarHBondContact N-O 3.49Å; V504-I557 PolarHBondContact O-N 2.87Å; V504-A559 HydrophobicContact CG2-CB 3.82Å; V504-L566 HydrophobicContact CG2-CD1 3.76Å; V504-L566 HydrophobicContact CG2-CD2 4.45Å; V504-I568 HydrophobicContact CG1-CD1 3.95Å; V504-I568 HydrophobicContact CG1-CG1 4.42Å; V504-S594 CarbonylContact C-O 3.58Å; V504-S594 WeakPolarHBondContact CA-O 3.4Å; V504-L595 HydrophobicContact CB-CD2 4.2Å; V504-L595 HydrophobicContact CG1-CD2 3.74Å; V504-L595 HydrophobicContact CG2-CD2 3.9Å
505	K	97.7	Very high	93.1	Very high	65 Å²	65	17.7 Å²	17.7	28%	0.283	9%	0.092	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.3	172	-53.6	-171.7	-171.4	-124.5	0	109.7	N503 I554 E556 S594	N503-K505 WeakPolarHBondContact OD1-CE 3.26Å; K505-I554 HydrophobicContact CB-CG2 3.96Å; K505-I554 HydrophobicContact CD-CG2 4.48Å; K505-E556 WeakPolarHBondContact CE-OE2 3.44Å; K505-E556 HydrophobicContact CG-CB 4.49Å; K505-E556 HydrophobicContact CG-CG 4.07Å; K505-E556 VanDerWaalsContact NZ-CD 3.35Å; K505-E556 IonicContact NZ-OE1 2.75Å; K505-E556 PolarHBondContact NZ-OE1 2.82Å; K505-E556 IonicContact NZ-OE2 3.68Å; K505-E556 PolarHBondContact NZ-OE2 2.8Å; K505-S594 PolarHBondContact N-O 2.91Å; K505-S594 PolarHBondContact O-N 2.85Å
506	L	98.5	Very high	92.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	118.4	176.2	-53.9	-178.3	0	0	0	108.4	V504 F508 V529 V531 F536 I554 K555 I568 I590 I593	V504-L506 HydrophobicContact CG1-CD2 3.81Å; V504-L506 HydrophobicContact CG1-CG 4.24Å; L506-F508 HydrophobicContact CB-CD2 4.31Å; L506-F508 HydrophobicContact CB-CE2 3.43Å; L506-F508 VanDerWaalsContact CB-CE2 3.43Å; L506-F508 HydrophobicContact CB-CZ 3.76Å; L506-F508 HydrophobicContact CD1-CE2 4.4Å; L506-F508 HydrophobicContact CD1-CZ 4.22Å; L506-F508 WeakPolarHBondContact O-CD2 3.47Å; L506-V529 HydrophobicContact CD1-CG1 3.63Å; L506-V531 HydrophobicContact CD1-CG2 4.4Å; L506-F536 HydrophobicContact CD1-CD1 4.29Å; L506-F536 HydrophobicContact CD1-CE1 4.3Å; L506-I554 WeakPolarHBondContact O-CA 3.48Å; L506-K555 PolarHBondContact N-O 2.83Å; L506-K555 PolarHBondContact O-N 3.48Å; L506-I568 HydrophobicContact CD1-CG2 4.18Å; L506-I568 HydrophobicContact CD2-CD1 3.72Å; L506-I568 HydrophobicContact CD2-CG1 4.3Å; L506-I568 HydrophobicContact CD2-CG2 4.04Å; L506-I590 HydrophobicContact CB-CD1 4.39Å; L506-I590 HydrophobicContact CD2-CD1 4.25Å; L506-I593 HydrophobicContact CD2-CG1 4.06Å; L506-I593 HydrophobicContact CD2-CG2 4.39Å
507	H	97.7	Very high	91.9	Very high	12 Å²	12	25.3 Å²	25.3	6%	0.056	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	124.8	-177.5	-64.9	-108.6	0	0	0	109.9	Y480 I590 S591 A592	Y480-H507 HydrophobicContact CE1-CB 3.88Å; Y480-H507 AromaticContact CZ-ND1 3.8Å; Y480-H507 PolarHBondContact OH-ND1 2.94Å; H507-I590 WeakPolarHBondContact O-CG1 3.37Å; H507-S591 PolarHBondContact O-N 2.7Å; H507-A592 HydrophobicContact CB-CB 3.83Å; H507-A592 WeakPolarHBondContact CB-O 3.38Å; H507-A592 PolarHBondContact N-O 2.93Å; H507-A592 PolarHBondContact O-N 3.42Å
508	F	97.3	Very high	91.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	141.2	-178.5	-60.8	-77.5	0	0	0	110.4	L506 F527 V529 F540 I542 P552 V553 K555 L570 L589 I590	L506-F508 HydrophobicContact CB-CD2 4.31Å; L506-F508 HydrophobicContact CB-CE2 3.43Å; L506-F508 VanDerWaalsContact CB-CE2 3.43Å; L506-F508 HydrophobicContact CB-CZ 3.76Å; L506-F508 HydrophobicContact CD1-CE2 4.4Å; L506-F508 HydrophobicContact CD1-CZ 4.22Å; L506-F508 WeakPolarHBondContact O-CD2 3.47Å; F508-F527 HydrophobicContact CD1-CZ 4.2Å; F508-F527 HydrophobicContact CE1-CE2 4.03Å; F508-F527 AromaticContact CE1-CZ 3.97Å; F508-F527 HydrophobicContact CE1-CZ 3.97Å; F508-V529 HydrophobicContact CZ-CG2 4.28Å; F508-F540 HydrophobicContact CB-CE1 4.31Å; F508-F540 HydrophobicContact CB-CZ 4.39Å; F508-F540 AromaticContact CD1-CE1 3.91Å; F508-F540 HydrophobicContact CD1-CE1 3.91Å; F508-F540 AromaticContact CD2-CE1 3.72Å; F508-F540 HydrophobicContact CD2-CE1 3.72Å; F508-F540 AromaticContact CD2-CZ 3.76Å; F508-F540 HydrophobicContact CD2-CZ 3.76Å; F508-F540 HydrophobicContact CE1-CE1 4.1Å; F508-F540 AromaticContact CE2-CE1 3.9Å; F508-F540 HydrophobicContact CE2-CE1 3.9Å; F508-F540 HydrophobicContact CE2-CZ 4.15Å; F508-F540 AromaticContact CG-CE1 3.71Å; F508-F540 HydrophobicContact CG-CE1 3.71Å; F508-F540 HydrophobicContact CG-CZ 4.03Å; F508-F540 HydrophobicContact CZ-CE1 4.09Å; F508-I542 HydrophobicContact CB-CD1 4.16Å; F508-I542 HydrophobicContact CB-CG1 4.13Å; F508-I542 HydrophobicContact CB-CG2 4.04Å; F508-I542 HydrophobicContact CD1-CD1 4.24Å; F508-I542 HydrophobicContact CD1-CG1 4.49Å; F508-P552 CarbonylContact O-C 3.6Å; F508-P552 WeakPolarHBondContact O-CA 3.28Å; F508-V553 PolarHBondContact N-O 3.23Å; F508-V553 PolarHBondContact O-N 3.22Å; F508-K555 HydrophobicContact CD2-CG 4.41Å; F508-K555 HydrophobicContact CE2-CB 4.28Å; F508-K555 HydrophobicContact CE2-CG 4.31Å; F508-L570 HydrophobicContact CE1-CD2 4.01Å; F508-L589 WeakPolarHBondContact CD1-O 3.37Å; F508-L589 WeakPolarHBondContact CE1-O 3.49Å; F508-I590 HydrophobicContact CD1-CB 4.23Å; F508-I590 HydrophobicContact CD1-CG1 4.19Å; F508-I590 HydrophobicContact CE1-CB 3.95Å; F508-I590 HydrophobicContact CE1-CD1 4.1Å; F508-I590 HydrophobicContact CE1-CG1 3.87Å; F508-I590 HydrophobicContact CZ-CD1 4.27Å; F508-I590 HydrophobicContact CZ-CG1 4.45Å
509	M	95	Very high	91.3	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.015	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	126.2	164.4	-173.1	165.9	84.5	0	0	109.2	L472 Y480 I511 M550 L589 S591	L472-M509 HydrophobicContact CD1-CE 3.64Å; L472-M509 HydrophobicContact CD2-CE 3.57Å; L472-M509 HydrophobicContact CD2-SD 4.39Å; L472-M509 HydrophobicContact CG-CE 4.25Å; Y480-M509 HydrophobicContact CD1-CB 3.75Å; Y480-M509 HydrophobicContact CD1-SD 4.41Å; Y480-M509 HydrophobicContact CE1-CB 4.5Å; Y480-M509 HydrophobicContact CG-CB 4.42Å; Y480-M509 HydrophobicContact CG-CE 4.37Å; Y480-M509 HydrophobicContact CG-SD 4.2Å; Y480-M509 WeakPolarHBondContact O-CE 3.16Å; M509-I511 HydrophobicContact CB-CG2 4.21Å; M509-I511 HydrophobicContact CE-CG2 3.17Å; M509-I511 HydrophobicContact CG-CG2 3.83Å; M509-I511 PolarHBondContact O-N 3.47Å; M509-I511 HydrophobicContact SD-CG2 4.35Å; M509-M550 HydrophobicContact CE-CE 4.14Å; M509-L589 WeakPolarHBondContact O-CD2 3.37Å; M509-S591 PolarHBondContact N-OG 2.71Å
510	E	94.7	Very high	91.2	Very high	1 Å²	1	21 Å²	21	1%	0.005	10%	0.104	C	C	.	.			trans	-75.3	108.2	174.5	178.2	52.9	-107.1	0	0	109.1	Q512 F513 R525 I542 M550	E510-Q512 WeakPolarHBondContact OE1-CA 3.46Å; E510-Q512 WeakPolarHBondContact OE1-CB 3.36Å; E510-Q512 PolarHBondContact OE1-N 2.78Å; E510-F513 HydrophobicContact CG-CB 3.77Å; E510-F513 HydrophobicContact CG-CD2 3.68Å; E510-F513 HydrophobicContact CG-CE2 4.48Å; E510-F513 HydrophobicContact CG-CG 3.88Å; E510-F513 PolarHBondContact OE1-N 2.96Å; E510-F513 VanDerWaalsContact OE1-N 3.08Å; E510-R525 IonicContact OE1-NH2 3.27Å; E510-R525 WeakPolarHBondContact OE2-CD 3.44Å; E510-R525 IonicContact OE2-CZ 2.76Å; E510-R525 IonicContact OE2-NE 3.36Å; E510-R525 PolarHBondContact OE2-NE 3.21Å; E510-R525 IonicContact OE2-NH2 3.27Å; E510-I542 HydrophobicContact CB-CB 4.26Å; E510-I542 HydrophobicContact CB-CG2 4.06Å; E510-M550 PolarHBondContact O-N 2.8Å
511	I	92.7	Very high	91	Very high	11 Å²	11	26.2 Å²	26.2	6%	0.056	12%	0.122	C	C	.	.			trans	-114.1	-3.9	-175.3	59.5	175.5	0	0	0	114.3	T466 T468 A483 M509 M550	T466-I511 HydrophobicContact CG2-CD1 3.88Å; T466-I511 HydrophobicContact CG2-CG1 3.86Å; T468-I511 HydrophobicContact CG2-CB 4.34Å; T468-I511 HydrophobicContact CG2-CG2 4.19Å; A483-I511 HydrophobicContact CB-CD1 3.9Å; A483-I511 HydrophobicContact CB-CG1 4.43Å; M509-I511 HydrophobicContact CB-CG2 4.21Å; M509-I511 HydrophobicContact CE-CG2 3.17Å; M509-I511 HydrophobicContact CG-CG2 3.83Å; M509-I511 PolarHBondContact O-N 3.47Å; M509-I511 HydrophobicContact SD-CG2 4.35Å; I511-M550 HydrophobicContact CB-SD 4.27Å; I511-M550 HydrophobicContact CG2-CE 4.12Å; I511-M550 HydrophobicContact CG2-SD 4.16Å
512	Q	91.6	Very high	90.9	Very high	30 Å²	30	26.1 Å²	26.1	14%	0.14	12%	0.121	C	C	.	.	S	Bend	trans	-94.8	-31.9	176.5	-55.7	-164.6	-82.7	0	0	111.7	T466 E510 S514 N585	T466-Q512 HydrophobicContact CG2-CG 3.71Å; E510-Q512 WeakPolarHBondContact OE1-CA 3.46Å; E510-Q512 WeakPolarHBondContact OE1-CB 3.36Å; E510-Q512 PolarHBondContact OE1-N 2.78Å; Q512-S514 PolarHBondContact O-N 3.03Å; Q512-S514 VanDerWaalsContact O-N 3.15Å; Q512-N585 PolarHBondContact NE2-OD1 3.32Å; Q512-N585 VanDerWaalsContact NE2-OD1 3.08Å
513	F	90.2	Very high	90.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-84.3	84.8	175.7	-57	-16.7	0	0	0	110.7	E510 S520 R525 N549 I580 N585	E510-F513 HydrophobicContact CG-CB 3.77Å; E510-F513 HydrophobicContact CG-CD2 3.68Å; E510-F513 HydrophobicContact CG-CE2 4.48Å; E510-F513 HydrophobicContact CG-CG 3.88Å; E510-F513 PolarHBondContact OE1-N 2.96Å; E510-F513 VanDerWaalsContact OE1-N 3.08Å; F513-S520 VanDerWaalsContact CA-OG 3.29Å; F513-S520 WeakPolarHBondContact CA-OG 3.43Å; F513-R525 HydrophobicContact CE2-CB 3.93Å; F513-R525 HydrophobicContact CZ-CB 4.23Å; F513-N549 WeakPolarHBondContact O-CB 3.13Å; F513-N549 PolarHBondContact O-ND2 2.97Å; F513-I580 WeakPolarHBondContact CE1-O 3.05Å; F513-N585 HydrophobicContact CE1-CB 4.43Å
514	S	80.5	Confident	90.6	Very high	27 Å²	27	27.3 Å²	27.3	19%	0.189	12%	0.123	C	C	.	.			trans	-69.6	135.8	-175.6	-169.6	0	0	0	0	112.6	Q512 K516 E517 S520	Q512-S514 PolarHBondContact O-N 3.03Å; Q512-S514 VanDerWaalsContact O-N 3.15Å; S514-K516 PolarHBondContact O-N 3.08Å; S514-K516 WeakPolarHBondContact OG-CB 3.21Å; S514-K516 PolarHBondContact OG-N 2.82Å; S514-E517 PolarHBondContact O-N 2.91Å; S514-E517 VanDerWaalsContact O-O 3.12Å; S514-S520 PolarHBondContact N-OG 2.8Å; S514-S520 WeakPolarHBondContact O-CB 3.24Å
515	D	77.8	Confident	90.5	Very high	56 Å²	56	27.4 Å²	27.4	30%	0.299	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-12.3	171.3	-78.2	-21.2	0	0	0	114	E517 R521 N549	D515-E517 VanDerWaalsContact C-N 3.3Å; D515-R521 PolarHBondContact O-NE 3.15Å; D515-R521 PolarHBondContact O-NH2 3.07Å; D515-R521 IonicContact OD1-NE 2.75Å; D515-N549 PolarHBondContact OD1-ND2 3.16Å
516	K	76.6	Confident	90.5	Very high	132 Å²	132	25.2 Å²	25.2	57%	0.574	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-40.1	174.5	-68.4	-174.5	172.7	-176.8	0	111	V73 L470 S514	V73-K516 HydrophobicContact CG2-CD 4.4Å; L470-K516 VanDerWaalsContact CD2-CE 3.49Å; S514-K516 PolarHBondContact O-N 3.08Å; S514-K516 WeakPolarHBondContact OG-CB 3.21Å; S514-K516 PolarHBondContact OG-N 2.82Å
517	E	79.6	Confident	90.5	Very high	36 Å²	36	25.3 Å²	25.3	17%	0.168	12%	0.115	C	C	.	.	S	Bend	trans	-98.2	109.8	178.4	-69.5	176.7	-179.7	0	0	109.1	N75 S514 D515 Y519 S520	N75-E517 PolarHBondContact ND2-OE1 3.14Å; S514-E517 PolarHBondContact O-N 2.91Å; S514-E517 VanDerWaalsContact O-O 3.12Å; D515-E517 VanDerWaalsContact C-N 3.3Å; E517-Y519 VanDerWaalsContact C-N 3.27Å; E517-Y519 HydrophobicContact CB-CD1 4.08Å; E517-Y519 HydrophobicContact CB-CE1 3.65Å; E517-Y519 HydrophobicContact CG-CE1 4.08Å; E517-Y519 PolarHBondContact O-N 3.43Å; E517-Y519 WeakPolarHBondContact OE2-CE1 3.23Å; E517-Y519 VanDerWaalsContact OE2-CZ 3.23Å; E517-Y519 PolarHBondContact OE2-OH 2.88Å; E517-S520 VanDerWaalsContact O-CB 3.27Å; E517-S520 WeakPolarHBondContact O-CB 3.33Å; E517-S520 PolarHBondContact O-N 2.98Å
518	V	85.5	Confident	90.5	Very high	10 Å²	10	25.3 Å²	25.3	6%	0.061	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-63.4	-37.7	-168.8	-171.5	0	0	0	0	111.3	S105 Y129 S520 R521	S105-V518 PolarHBondContact OG-N 3.46Å; Y129-V518 HydrophobicContact CD1-CG1 4.12Å; Y129-V518 HydrophobicContact CD2-CG1 3.8Å; Y129-V518 WeakPolarHBondContact CD2-O 3.36Å; Y129-V518 HydrophobicContact CE1-CG1 4.49Å; Y129-V518 HydrophobicContact CE2-CG1 4.18Å; Y129-V518 HydrophobicContact CG-CG1 3.75Å; V518-S520 PolarHBondContact O-N 2.83Å; V518-R521 VanDerWaalsContact O-CB 3.27Å; V518-R521 WeakPolarHBondContact O-CB 3.31Å; V518-R521 WeakPolarHBondContact O-CG 3.43Å; V518-R521 PolarHBondContact O-N 2.8Å
519	Y	88.4	Confident	90.6	Very high	3 Å²	3	25.3 Å²	25.3	1%	0.012	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-63.4	-30.5	175.8	78.1	-90.7	0	0	0	112.2	T103 R127 N128 E517 R521 L522 P581	T103-Y519 HydrophobicContact CG2-CE1 3.69Å; T103-Y519 WeakPolarHBondContact CG2-OH 3.29Å; R127-Y519 HydrophobicContact CB-CD2 3.64Å; R127-Y519 HydrophobicContact CB-CE2 3.74Å; R127-Y519 HydrophobicContact CB-CG 4.09Å; R127-Y519 HydrophobicContact CG-CD2 4.07Å; R127-Y519 HydrophobicContact CG-CE2 3.93Å; N128-Y519 WeakPolarHBondContact O-CB 3.35Å; E517-Y519 VanDerWaalsContact C-N 3.27Å; E517-Y519 HydrophobicContact CB-CD1 4.08Å; E517-Y519 HydrophobicContact CB-CE1 3.65Å; E517-Y519 HydrophobicContact CG-CE1 4.08Å; E517-Y519 PolarHBondContact O-N 3.43Å; E517-Y519 WeakPolarHBondContact OE2-CE1 3.23Å; E517-Y519 VanDerWaalsContact OE2-CZ 3.23Å; E517-Y519 PolarHBondContact OE2-OH 2.88Å; Y519-R521 PolarHBondContact O-N 2.78Å; Y519-L522 VanDerWaalsContact O-CB 3.3Å; Y519-L522 WeakPolarHBondContact O-CB 3.42Å; Y519-L522 PolarHBondContact O-N 3.49Å; Y519-P581 HydrophobicContact CE2-CB 4.39Å
520	S	90.1	Very high	90.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-66	-20	179.2	-169	0	0	0	0	112.4	F513 S514 E517 V518 L522 G523	F513-S520 VanDerWaalsContact CA-OG 3.29Å; F513-S520 WeakPolarHBondContact CA-OG 3.43Å; S514-S520 PolarHBondContact N-OG 2.8Å; S514-S520 WeakPolarHBondContact O-CB 3.24Å; E517-S520 VanDerWaalsContact O-CB 3.27Å; E517-S520 WeakPolarHBondContact O-CB 3.33Å; E517-S520 PolarHBondContact O-N 2.98Å; V518-S520 PolarHBondContact O-N 2.83Å; S520-L522 PolarHBondContact O-N 3.41Å; S520-G523 PolarHBondContact O-N 2.01Å
521	R	89.8	Confident	90.9	Very high	116 Å²	116	28.3 Å²	28.3	44%	0.438	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-65.6	-19	173.4	-57.2	179	-176.5	-170.9	-2.7	113.4	D515 V518 Y519	D515-R521 PolarHBondContact O-NE 3.15Å; D515-R521 PolarHBondContact O-NH2 3.07Å; D515-R521 IonicContact OD1-NE 2.75Å; V518-R521 VanDerWaalsContact O-CB 3.27Å; V518-R521 WeakPolarHBondContact O-CB 3.31Å; V518-R521 WeakPolarHBondContact O-CG 3.43Å; V518-R521 PolarHBondContact O-N 2.8Å; Y519-R521 PolarHBondContact O-N 2.78Å
522	L	92.3	Very high	90.9	Very high	17 Å²	17	30.9 Å²	30.9	9%	0.089	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-77.7	-11.4	175	-59.1	168	0	0	0	112.2	Y129 N152 N153 Y519 S520 I580	Y129-L522 HydrophobicContact CD2-CD1 3.76Å; Y129-L522 HydrophobicContact CD2-CD2 4.1Å; Y129-L522 HydrophobicContact CD2-CG 3.83Å; Y129-L522 HydrophobicContact CE2-CD1 4.07Å; Y129-L522 HydrophobicContact CE2-CD2 3.53Å; Y129-L522 HydrophobicContact CE2-CG 3.63Å; N152-L522 WeakPolarHBondContact O-CD1 3.45Å; N153-L522 HydrophobicContact CB-CD1 4.4Å; N153-L522 HydrophobicContact CB-CD2 4.03Å; Y519-L522 VanDerWaalsContact O-CB 3.3Å; Y519-L522 WeakPolarHBondContact O-CB 3.42Å; Y519-L522 PolarHBondContact O-N 3.49Å; S520-L522 PolarHBondContact O-N 3.41Å; L522-I580 HydrophobicContact CB-CD1 4.01Å
523	G	94.1	Very high	90.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.			trans	-60.3	137	177.3	0	0	0	0	0	112	S520 N543 T577	S520-G523 PolarHBondContact O-N 2.01Å; G523-N543 PolarHBondContact O-ND2 3.34Å; G523-T577 WeakPolarHBondContact CA-OG1 3.14Å
524	R	94.5	Very high	90.8	Very high	54 Å²	54	36.3 Å²	36.3	20%	0.204	18%	0.178	C	C	.	.			trans	-126.6	118	175.8	-64.4	-176	-69.3	112.3	-1.1	109.3	S199 D223 I526 G576 T577	S199-R524 PolarHBondContact O-NH2 2.95Å; D223-R524 IonicContact OD1-NH1 2.81Å; D223-R524 IonicContact OD2-CZ 3.26Å; D223-R524 VanDerWaalsContact OD2-CZ 3.29Å; D223-R524 IonicContact OD2-NH1 3.49Å; D223-R524 PolarHBondContact OD2-NH1 2.98Å; D223-R524 IonicContact OD2-NH2 3.49Å; D223-R524 PolarHBondContact OD2-NH2 3.11Å; R524-I526 HydrophobicContact CB-CD1 4.37Å; R524-I526 HydrophobicContact CB-CG1 4.35Å; R524-G576 CarbonylContact O-C 3.44Å; R524-G576 WeakPolarHBondContact O-CA 3.4Å; R524-T577 HydrophobicContact CB-CG2 4.34Å; R524-T577 PolarHBondContact N-OG1 3.13Å; R524-T577 PolarHBondContact O-N 2.91Å; R524-T577 PolarHBondContact O-OG1 2.87Å
525	R	96.2	Very high	91.5	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.008	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-103.4	115.5	171.3	179.7	-177.4	-58.3	-80	-5.8	107.4	E510 F513 F527 N541 Y586 G587	E510-R525 IonicContact OE1-NH2 3.27Å; E510-R525 WeakPolarHBondContact OE2-CD 3.44Å; E510-R525 IonicContact OE2-CZ 2.76Å; E510-R525 IonicContact OE2-NE 3.36Å; E510-R525 PolarHBondContact OE2-NE 3.21Å; E510-R525 IonicContact OE2-NH2 3.27Å; F513-R525 HydrophobicContact CE2-CB 3.93Å; F513-R525 HydrophobicContact CZ-CB 4.23Å; R525-F527 HydrophobicContact CG-CD1 3.85Å; R525-F527 HydrophobicContact CG-CE1 3.89Å; R525-N541 VanDerWaalsContact O-CA 3.28Å; R525-N541 WeakPolarHBondContact O-CA 3.38Å; R525-N541 PolarHBondContact O-OD1 2.96Å; R525-N541 VanDerWaalsContact O-OD1 3.1Å; R525-Y586 PolarHBondContact NH1-O 3.31Å; R525-G587 VanDerWaalsContact CD-O 3.22Å; R525-G587 WeakPolarHBondContact CD-O 3.37Å; R525-G587 WeakPolarHBondContact CG-O 3.39Å; R525-G587 PolarHBondContact NH1-O 2.82Å
526	I	97.4	Very high	92.5	Very high	20 Å²	20	38.6 Å²	38.6	10%	0.103	19%	0.185	C	C	.	.			trans	-126.7	124.2	-174.6	-57.2	-178.4	0	0	0	108.4	R524 D539 F540 N541 W572 K575	R524-I526 HydrophobicContact CB-CD1 4.37Å; R524-I526 HydrophobicContact CB-CG1 4.35Å; I526-D539 HydrophobicContact CG2-CB 3.88Å; I526-F540 WeakPolarHBondContact CA-O 3.19Å; I526-N541 HydrophobicContact CG1-CB 4.29Å; I526-W572 VanDerWaalsContact O-CD1 3.23Å; I526-K575 HydrophobicContact CB-CB 4.04Å; I526-K575 HydrophobicContact CD1-CB 4.38Å; I526-K575 HydrophobicContact CG2-CB 3.95Å; I526-K575 HydrophobicContact CG2-CD 4.45Å
527	F	98.4	Very high	93.5	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.009	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	162.2	176.5	56.8	-88.8	0	0	0	110.8	F508 R525 V529 F540 I542 L570 Y571 P588	F508-F527 HydrophobicContact CD1-CZ 4.2Å; F508-F527 HydrophobicContact CE1-CE2 4.03Å; F508-F527 AromaticContact CE1-CZ 3.97Å; F508-F527 HydrophobicContact CE1-CZ 3.97Å; R525-F527 HydrophobicContact CG-CD1 3.85Å; R525-F527 HydrophobicContact CG-CE1 3.89Å; F527-V529 HydrophobicContact CD2-CG2 3.91Å; F527-V529 HydrophobicContact CE2-CG2 3.69Å; F527-F540 HydrophobicContact CD2-CD1 4.48Å; F527-F540 HydrophobicContact CE1-CD1 4.26Å; F527-F540 AromaticContact CE2-CD1 3.72Å; F527-F540 HydrophobicContact CE2-CD1 3.72Å; F527-F540 HydrophobicContact CE2-CE1 4.34Å; F527-F540 AromaticContact CZ-CD1 3.6Å; F527-F540 HydrophobicContact CZ-CD1 3.6Å; F527-F540 AromaticContact CZ-CE1 3.96Å; F527-F540 HydrophobicContact CZ-CE1 3.96Å; F527-F540 PolarHBondContact N-O 3.41Å; F527-F540 VanDerWaalsContact N-O 3.13Å; F527-F540 WeakPolarHBondContact O-CA 3.35Å; F527-F540 VanDerWaalsContact O-CB 3.28Å; F527-F540 WeakPolarHBondContact O-CB 3.15Å; F527-F540 PolarHBondContact O-N 3.33Å; F527-I542 HydrophobicContact CE1-CD1 3.95Å; F527-I542 HydrophobicContact CE1-CG1 4.1Å; F527-I542 HydrophobicContact CZ-CD1 4.02Å; F527-I542 HydrophobicContact CZ-CG1 4.14Å; F527-L570 HydrophobicContact CD2-CB 4.26Å; F527-L570 HydrophobicContact CD2-CD2 4.29Å; F527-L570 HydrophobicContact CE2-CD2 3.75Å; F527-L570 HydrophobicContact CE2-CG 4.41Å; F527-L570 HydrophobicContact CZ-CD2 4.46Å; F527-Y571 CarbonylContact C-O 3.43Å; F527-Y571 WeakPolarHBondContact CA-O 3.35Å; F527-Y571 VanDerWaalsContact CB-O 3.29Å; F527-Y571 WeakPolarHBondContact CB-O 3.44Å; F527-P588 HydrophobicContact CB-CG 4.25Å; F527-P588 HydrophobicContact CD2-CB 4.21Å; F527-P588 HydrophobicContact CG-CB 4.21Å; F527-P588 HydrophobicContact CG-CG 4.42Å
528	D	98.3	Very high	94.3	Very high	12 Å²	12	40.4 Å²	40.4	6%	0.064	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	151.7	174.5	-64.4	-22.4	0	0	0	110.5	Y530 L535 L537 R538 D539 L570 Y571	D528-Y530 HydrophobicContact CB-CD2 4.36Å; D528-Y530 HydrophobicContact CB-CE2 3.6Å; D528-L535 HydrophobicContact CB-CD1 3.98Å; D528-L537 CarbonylContact C-O 3.58Å; D528-L537 VanDerWaalsContact CA-O 3.28Å; D528-L537 WeakPolarHBondContact CA-O 3.36Å; D528-R538 WeakPolarHBondContact OD1-CA 3.33Å; D528-D539 PolarHBondContact OD1-N 3.29Å; D528-L570 CarbonylContact O-C 3.34Å; D528-L570 VanDerWaalsContact O-CA 3.3Å; D528-L570 WeakPolarHBondContact O-CA 3.34Å; D528-Y571 HydrophobicContact CB-CD1 4.45Å; D528-Y571 PolarHBondContact N-O 2.93Å; D528-Y571 PolarHBondContact O-N 3.01Å
529	V	98.6	Very high	94.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	127.6	175.4	-176	0	0	0	0	109.1	L506 F508 F527 F536 L537 R569 L570	L506-V529 HydrophobicContact CD1-CG1 3.63Å; F508-V529 HydrophobicContact CZ-CG2 4.28Å; F527-V529 HydrophobicContact CD2-CG2 3.91Å; F527-V529 HydrophobicContact CE2-CG2 3.69Å; V529-F536 HydrophobicContact CG1-CD1 4.2Å; V529-F536 WeakPolarHBondContact O-CA 3.42Å; V529-F536 WeakPolarHBondContact O-CB 3.46Å; V529-F536 PolarHBondContact O-N 2.8Å; V529-L537 HydrophobicContact CB-CB 4.02Å; V529-L537 HydrophobicContact CB-CD1 4.17Å; V529-L537 HydrophobicContact CB-CG 4.31Å; V529-L537 HydrophobicContact CG2-CB 4.25Å; V529-L537 HydrophobicContact CG2-CD1 4.06Å; V529-L537 PolarHBondContact N-O 3.12Å; V529-L537 PolarHBondContact O-N 2.74Å; V529-R569 CarbonylContact C-O 3.57Å; V529-R569 WeakPolarHBondContact CA-O 3.5Å; V529-L570 HydrophobicContact CG2-CG 4.36Å
530	Y	98.4	Very high	95.3	Very high	61 Å²	61	42.9 Å²	42.9	24%	0.239	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.3	176.6	-59	-106.4	0	0	0	109.5	D528 K534 L535 I568 R569	D528-Y530 HydrophobicContact CB-CD2 4.36Å; D528-Y530 HydrophobicContact CB-CE2 3.6Å; Y530-K534 CarbonylContact C-O 3.49Å; Y530-K534 WeakPolarHBondContact CA-O 3.29Å; Y530-L535 HydrophobicContact CD1-CB 3.95Å; Y530-L535 HydrophobicContact CD1-CD1 4.31Å; Y530-L535 HydrophobicContact CD2-CD1 4.42Å; Y530-L535 HydrophobicContact CE1-CB 3.72Å; Y530-L535 HydrophobicContact CE1-CD1 3.87Å; Y530-L535 HydrophobicContact CE1-CG 4.33Å; Y530-L535 HydrophobicContact CE2-CD1 3.99Å; Y530-I568 CarbonylContact O-C 3.58Å; Y530-I568 WeakPolarHBondContact O-CA 3.36Å; Y530-R569 PolarHBondContact N-O 2.79Å; Y530-R569 PolarHBondContact O-N 2.84Å
531	V	97.9	Very high	95.6	Very high	6 Å²	6	43.6 Å²	43.6	4%	0.036	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	126.1	173.8	-178.9	0	0	0	0	107.8	L506 G533 K534 F536 I557 A559 I568	L506-V531 HydrophobicContact CD1-CG2 4.4Å; V531-G533 PolarHBondContact O-N 3.18Å; V531-K534 PolarHBondContact N-O 2.77Å; V531-K534 WeakPolarHBondContact O-CB 3.26Å; V531-K534 PolarHBondContact O-N 2.75Å; V531-F536 HydrophobicContact CG2-CB 4.22Å; V531-F536 HydrophobicContact CG2-CD1 4.13Å; V531-F536 HydrophobicContact CG2-CG 4.47Å; V531-I557 HydrophobicContact CB-CG2 4.44Å; V531-I557 HydrophobicContact CG1-CG2 4.35Å; V531-I557 HydrophobicContact CG2-CG2 4.03Å; V531-A559 HydrophobicContact CG1-CB 3.88Å; V531-I568 HydrophobicContact CG1-CG1 4.48Å; V531-I568 HydrophobicContact CG2-CG1 4.34Å
532	Q	92.9	Very high	95.8	Very high	64 Å²	64	38.1 Å²	38.1	30%	0.299	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	40.7	-173.8	-81.7	-69.3	-35	0	0	112.8	K534 A559 M565 L566 E567	Q532-K534 PolarHBondContact O-N 3.04Å; Q532-K534 VanDerWaalsContact O-N 3.15Å; Q532-A559 HydrophobicContact CG-CB 4.43Å; Q532-M565 PolarHBondContact NE2-O 2.84Å; Q532-L566 VanDerWaalsContact NE2-CA 3.27Å; Q532-E567 PolarHBondContact N-O 3.03Å
533	G	89.1	Confident	95.8	Very high	53 Å²	53	38.2 Å²	38.2	55%	0.546	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	-4.7	-178.1	0	0	0	0	0	115.4	V531	V531-G533 PolarHBondContact O-N 3.18Å
534	K	91	Very high	95.8	Very high	91 Å²	91	45.8 Å²	45.8	40%	0.396	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	132.8	177.3	-62.3	-175.7	175.5	-170.9	0	110.6	Y530 V531 Q532 F536 W847	Y530-K534 CarbonylContact C-O 3.49Å; Y530-K534 WeakPolarHBondContact CA-O 3.29Å; V531-K534 PolarHBondContact N-O 2.77Å; V531-K534 WeakPolarHBondContact O-CB 3.26Å; V531-K534 PolarHBondContact O-N 2.75Å; Q532-K534 PolarHBondContact O-N 3.04Å; Q532-K534 VanDerWaalsContact O-N 3.15Å; K534-F536 PolarHBondContact O-N 2.93Å; K534-F536 VanDerWaalsContact O-N 3.14Å; K534-W847 PolarHBondContact NZ-O 3.08Å
535	L	95.4	Very high	95.7	Very high	79 Å²	79	47.8 Å²	47.8	41%	0.414	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	112.2	173.1	179	61.6	0	0	0	109.2	D528 Y530 L537 R538	D528-L535 HydrophobicContact CB-CD1 3.98Å; Y530-L535 HydrophobicContact CD1-CB 3.95Å; Y530-L535 HydrophobicContact CD1-CD1 4.31Å; Y530-L535 HydrophobicContact CD2-CD1 4.42Å; Y530-L535 HydrophobicContact CE1-CB 3.72Å; Y530-L535 HydrophobicContact CE1-CD1 3.87Å; Y530-L535 HydrophobicContact CE1-CG 4.33Å; Y530-L535 HydrophobicContact CE2-CD1 3.99Å; L535-L537 WeakPolarHBondContact CD1-O 3.3Å; L535-R538 HydrophobicContact CD1-CB 4.38Å; L535-R538 HydrophobicContact CD2-CB 4.1Å; L535-R538 HydrophobicContact CD2-CG 4.41Å; L535-R538 HydrophobicContact CG-CB 4.49Å
536	F	97.7	Very high	95.5	Very high	53 Å²	53	48.4 Å²	48.4	23%	0.232	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-48.1	179.5	171.5	-139.7	0	0	0	111.3	L506 V529 V531 K534 K555 I557	L506-F536 HydrophobicContact CD1-CD1 4.29Å; L506-F536 HydrophobicContact CD1-CE1 4.3Å; V529-F536 HydrophobicContact CG1-CD1 4.2Å; V529-F536 WeakPolarHBondContact O-CA 3.42Å; V529-F536 WeakPolarHBondContact O-CB 3.46Å; V529-F536 PolarHBondContact O-N 2.8Å; V531-F536 HydrophobicContact CG2-CB 4.22Å; V531-F536 HydrophobicContact CG2-CD1 4.13Å; V531-F536 HydrophobicContact CG2-CG 4.47Å; K534-F536 PolarHBondContact O-N 2.93Å; K534-F536 VanDerWaalsContact O-N 3.14Å; F536-K555 HydrophobicContact CE1-CB 3.78Å; F536-K555 HydrophobicContact CZ-CB 3.96Å; F536-I557 HydrophobicContact CB-CD1 4.29Å; F536-I557 HydrophobicContact CD1-CG2 4.11Å; F536-I557 HydrophobicContact CD2-CB 4.2Å; F536-I557 HydrophobicContact CD2-CD1 3.48Å; F536-I557 VanDerWaalsContact CD2-CD1 3.48Å; F536-I557 HydrophobicContact CD2-CG1 4.37Å; F536-I557 HydrophobicContact CE1-CB 4.21Å; F536-I557 HydrophobicContact CE1-CG2 3.93Å; F536-I557 HydrophobicContact CE2-CB 3.82Å; F536-I557 HydrophobicContact CE2-CD1 3.91Å; F536-I557 HydrophobicContact CE2-CG1 4.33Å; F536-I557 HydrophobicContact CE2-CG2 4.37Å; F536-I557 HydrophobicContact CG-CD1 3.9Å; F536-I557 HydrophobicContact CG-CG2 4.4Å; F536-I557 HydrophobicContact CZ-CB 3.82Å; F536-I557 HydrophobicContact CZ-CG2 4.07Å
537	L	97.8	Very high	95.1	Very high	26 Å²	26	54 Å²	54	14%	0.136	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	126.3	178.6	-53.2	167.6	0	0	0	109.2	D528 V529 L535 F540 K555	D528-L537 CarbonylContact C-O 3.58Å; D528-L537 VanDerWaalsContact CA-O 3.28Å; D528-L537 WeakPolarHBondContact CA-O 3.36Å; V529-L537 HydrophobicContact CB-CB 4.02Å; V529-L537 HydrophobicContact CB-CD1 4.17Å; V529-L537 HydrophobicContact CB-CG 4.31Å; V529-L537 HydrophobicContact CG2-CB 4.25Å; V529-L537 HydrophobicContact CG2-CD1 4.06Å; V529-L537 PolarHBondContact N-O 3.12Å; V529-L537 PolarHBondContact O-N 2.74Å; L535-L537 WeakPolarHBondContact CD1-O 3.3Å; L537-F540 HydrophobicContact CB-CB 3.92Å; L537-F540 HydrophobicContact CB-CD2 4.48Å; L537-F540 HydrophobicContact CB-CG 4.32Å; L537-F540 HydrophobicContact CD1-CB 4.5Å; L537-F540 HydrophobicContact CD1-CD1 4.37Å; L537-F540 HydrophobicContact CD1-CD2 3.9Å; L537-F540 HydrophobicContact CD1-CE2 4.15Å; L537-F540 HydrophobicContact CD1-CG 4.01Å; L537-K555 HydrophobicContact CD1-CB 4.01Å; L537-K555 HydrophobicContact CD1-CD 4.39Å; L537-K555 HydrophobicContact CD1-CG 3.74Å; L537-K555 HydrophobicContact CD2-CD 4.36Å
538	R	96.9	Very high	94.5	Very high	180 Å²	180	55 Å²	55	68%	0.679	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.7	139	175.8	-174.6	174.4	176.5	149.1	1.9	110.4	D528 L535 F540	D528-R538 WeakPolarHBondContact OD1-CA 3.33Å; L535-R538 HydrophobicContact CD1-CB 4.38Å; L535-R538 HydrophobicContact CD2-CB 4.1Å; L535-R538 HydrophobicContact CD2-CG 4.41Å; L535-R538 HydrophobicContact CG-CB 4.49Å; R538-F540 PolarHBondContact O-N 2.7Å; R538-F540 VanDerWaalsContact O-N 3.11Å
539	D	95.7	Very high	93.9	Very high	56 Å²	56	54.8 Å²	54.8	30%	0.299	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49.1	37.6	179	-65.5	-46.1	0	0	0	112	I526 D528 N541 K575	I526-D539 HydrophobicContact CG2-CB 3.88Å; D528-D539 PolarHBondContact OD1-N 3.29Å; D539-N541 PolarHBondContact O-N 3.49Å; D539-K575 VanDerWaalsContact OD1-CD 3.28Å; D539-K575 WeakPolarHBondContact OD1-CD 3.09Å; D539-K575 WeakPolarHBondContact OD1-CE 3.37Å; D539-K575 IonicContact OD1-NZ 3.44Å; D539-K575 PolarHBondContact OD1-NZ 3.42Å; D539-K575 IonicContact OD2-NZ 3.91Å; D539-K575 PolarHBondContact OD2-NZ 3.26Å
540	F	98.2	Very high	93.4	Very high	8 Å²	8	56.5 Å²	56.5	4%	0.035	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	125.8	-175.5	177.4	-116	0	0	0	110.2	F508 I526 F527 L537 R538 I542 E545 V553 K555	F508-F540 HydrophobicContact CB-CE1 4.31Å; F508-F540 HydrophobicContact CB-CZ 4.39Å; F508-F540 AromaticContact CD1-CE1 3.91Å; F508-F540 HydrophobicContact CD1-CE1 3.91Å; F508-F540 AromaticContact CD2-CE1 3.72Å; F508-F540 HydrophobicContact CD2-CE1 3.72Å; F508-F540 AromaticContact CD2-CZ 3.76Å; F508-F540 HydrophobicContact CD2-CZ 3.76Å; F508-F540 HydrophobicContact CE1-CE1 4.1Å; F508-F540 AromaticContact CE2-CE1 3.9Å; F508-F540 HydrophobicContact CE2-CE1 3.9Å; F508-F540 HydrophobicContact CE2-CZ 4.15Å; F508-F540 AromaticContact CG-CE1 3.71Å; F508-F540 HydrophobicContact CG-CE1 3.71Å; F508-F540 HydrophobicContact CG-CZ 4.03Å; F508-F540 HydrophobicContact CZ-CE1 4.09Å; I526-F540 WeakPolarHBondContact CA-O 3.19Å; F527-F540 HydrophobicContact CD2-CD1 4.48Å; F527-F540 HydrophobicContact CE1-CD1 4.26Å; F527-F540 AromaticContact CE2-CD1 3.72Å; F527-F540 HydrophobicContact CE2-CD1 3.72Å; F527-F540 HydrophobicContact CE2-CE1 4.34Å; F527-F540 AromaticContact CZ-CD1 3.6Å; F527-F540 HydrophobicContact CZ-CD1 3.6Å; F527-F540 AromaticContact CZ-CE1 3.96Å; F527-F540 HydrophobicContact CZ-CE1 3.96Å; F527-F540 PolarHBondContact N-O 3.41Å; F527-F540 VanDerWaalsContact N-O 3.13Å; F527-F540 WeakPolarHBondContact O-CA 3.35Å; F527-F540 VanDerWaalsContact O-CB 3.28Å; F527-F540 WeakPolarHBondContact O-CB 3.15Å; F527-F540 PolarHBondContact O-N 3.33Å; L537-F540 HydrophobicContact CB-CB 3.92Å; L537-F540 HydrophobicContact CB-CD2 4.48Å; L537-F540 HydrophobicContact CB-CG 4.32Å; L537-F540 HydrophobicContact CD1-CB 4.5Å; L537-F540 HydrophobicContact CD1-CD1 4.37Å; L537-F540 HydrophobicContact CD1-CD2 3.9Å; L537-F540 HydrophobicContact CD1-CE2 4.15Å; L537-F540 HydrophobicContact CD1-CG 4.01Å; R538-F540 PolarHBondContact O-N 2.7Å; R538-F540 VanDerWaalsContact O-N 3.11Å; F540-I542 HydrophobicContact CD1-CG1 4.26Å; F540-I542 HydrophobicContact CE1-CG1 3.63Å; F540-I542 HydrophobicContact CZ-CG1 4.22Å; F540-E545 HydrophobicContact CD2-CG 3.96Å; F540-E545 HydrophobicContact CE2-CB 4.09Å; F540-E545 HydrophobicContact CE2-CG 3.63Å; F540-V553 HydrophobicContact CZ-CG1 4.39Å; F540-K555 HydrophobicContact CE2-CG 4.17Å; F540-K555 HydrophobicContact CZ-CG 4.26Å
541	N	97	Very high	93	Very high	16 Å²	16	58.2 Å²	58.2	9%	0.086	29%	0.293	C	S	.	.			trans	-122.6	109.3	176.6	-177.5	2.9	0	0	0	110.5	R525 I526 D539 N543 K544 E545	R525-N541 VanDerWaalsContact O-CA 3.28Å; R525-N541 WeakPolarHBondContact O-CA 3.38Å; R525-N541 PolarHBondContact O-OD1 2.96Å; R525-N541 VanDerWaalsContact O-OD1 3.1Å; I526-N541 HydrophobicContact CG1-CB 4.29Å; D539-N541 PolarHBondContact O-N 3.49Å; N541-N543 VanDerWaalsContact C-N 3.34Å; N541-N543 PolarHBondContact ND2-OD1 3.18Å; N541-N543 PolarHBondContact O-N 3.38Å; N541-N543 PolarHBondContact OD1-N 3.41Å; N541-N543 PolarHBondContact OD1-OD1 3.47Å; N541-K544 HydrophobicContact CB-CB 4.05Å; N541-K544 PolarHBondContact O-N 2.96Å; N541-E545 WeakPolarHBondContact O-CG 3.3Å; N541-E545 PolarHBondContact O-N 2.8Å; N541-E545 VanDerWaalsContact O-N 3.13Å
542	I	95.4	Very high	92.8	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-55	-48.5	-173.5	-56.3	171.4	0	0	0	111.2	F508 E510 F527 F540 K544 E545 A546 L589	F508-I542 HydrophobicContact CB-CD1 4.16Å; F508-I542 HydrophobicContact CB-CG1 4.13Å; F508-I542 HydrophobicContact CB-CG2 4.04Å; F508-I542 HydrophobicContact CD1-CD1 4.24Å; F508-I542 HydrophobicContact CD1-CG1 4.49Å; E510-I542 HydrophobicContact CB-CB 4.26Å; E510-I542 HydrophobicContact CB-CG2 4.06Å; F527-I542 HydrophobicContact CE1-CD1 3.95Å; F527-I542 HydrophobicContact CE1-CG1 4.1Å; F527-I542 HydrophobicContact CZ-CD1 4.02Å; F527-I542 HydrophobicContact CZ-CG1 4.14Å; F540-I542 HydrophobicContact CD1-CG1 4.26Å; F540-I542 HydrophobicContact CE1-CG1 3.63Å; F540-I542 HydrophobicContact CZ-CG1 4.22Å; I542-K544 VanDerWaalsContact C-N 3.32Å; I542-K544 PolarHBondContact O-N 3.3Å; I542-E545 PolarHBondContact O-N 3.05Å; I542-A546 WeakPolarHBondContact O-CB 3.34Å; I542-A546 PolarHBondContact O-N 2.97Å; I542-L589 HydrophobicContact CD1-CB 3.99Å; I542-L589 HydrophobicContact CD1-CD2 3.96Å; I542-L589 HydrophobicContact CD1-CG 4.44Å
543	N	91.3	Very high	92.9	Very high	20 Å²	20	58.7 Å²	58.7	11%	0.107	30%	0.301	C	S	.	.	H	α-helix	trans	-69.7	-29.9	-174.3	73.1	0.4	0	0	0	113.3	G523 N541 N547 G548 N549	G523-N543 PolarHBondContact O-ND2 3.34Å; N541-N543 VanDerWaalsContact C-N 3.34Å; N541-N543 PolarHBondContact ND2-OD1 3.18Å; N541-N543 PolarHBondContact O-N 3.38Å; N541-N543 PolarHBondContact OD1-N 3.41Å; N541-N543 PolarHBondContact OD1-OD1 3.47Å; N543-N547 WeakPolarHBondContact O-CA 3.25Å; N543-N547 PolarHBondContact O-N 3.28Å; N543-N547 VanDerWaalsContact O-N 3.11Å; N543-G548 WeakPolarHBondContact CA-O 3.18Å; N543-G548 PolarHBondContact O-N 2.77Å; N543-N549 VanDerWaalsContact CB-OD1 3.23Å; N543-N549 WeakPolarHBondContact CB-OD1 3.44Å; N543-N549 PolarHBondContact ND2-OD1 3.19Å
544	K	93	Very high	93.2	Very high	159 Å²	159	60.1 Å²	60.1	69%	0.691	30%	0.295	S	S	*	.	H	α-helix	trans	-68.4	-44.6	175.4	-174.9	-174.6	175.9	-168	0	110.2	N541 I542 N547	N541-K544 HydrophobicContact CB-CB 4.05Å; N541-K544 PolarHBondContact O-N 2.96Å; I542-K544 VanDerWaalsContact C-N 3.32Å; I542-K544 PolarHBondContact O-N 3.3Å; K544-N547 PolarHBondContact O-N 3.32Å
545	E	94	Very high	93.6	Very high	95 Å²	95	58.1 Å²	58.1	44%	0.444	29%	0.287	S	S	.	.	H	α-helix	trans	-71.1	-34.5	-179.2	-66.2	-74.9	140.2	0	0	112.2	F540 N541 I542 N547 V553 K555	F540-E545 HydrophobicContact CD2-CG 3.96Å; F540-E545 HydrophobicContact CE2-CB 4.09Å; F540-E545 HydrophobicContact CE2-CG 3.63Å; N541-E545 WeakPolarHBondContact O-CG 3.3Å; N541-E545 PolarHBondContact O-N 2.8Å; N541-E545 VanDerWaalsContact O-N 3.13Å; I542-E545 PolarHBondContact O-N 3.05Å; E545-N547 VanDerWaalsContact C-N 3.28Å; E545-V553 HydrophobicContact CB-CG1 4.26Å; E545-V553 HydrophobicContact CB-CG2 4.32Å; E545-K555 WeakPolarHBondContact OE2-CE 3.49Å; E545-K555 IonicContact OE2-NZ 3.05Å; E545-K555 PolarHBondContact OE2-NZ 3.32Å
546	A	91.4	Very high	93.7	Very high	15 Å²	15	59 Å²	59	12%	0.124	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-9.1	175.6	0	0	0	0	0	113.5	I542 G548 K551 V553	I542-A546 WeakPolarHBondContact O-CB 3.34Å; I542-A546 PolarHBondContact O-N 2.97Å; A546-G548 VanDerWaalsContact C-N 3.34Å; A546-G548 PolarHBondContact O-N 3.21Å; A546-K551 HydrophobicContact CB-CB 3.76Å; A546-K551 VanDerWaalsContact O-CD 3.27Å; A546-K551 WeakPolarHBondContact O-CD 3.35Å; A546-V553 VanDerWaalsContact CA-CG2 3.41Å; A546-V553 HydrophobicContact CB-CG2 3.3Å
547	N	88.5	Confident	93.7	Very high	137 Å²	137	58.9 Å²	58.9	73%	0.733	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	50.5	-168.3	-165.2	24.6	0	0	0	112.4	N543 K544 E545 K551	N543-N547 WeakPolarHBondContact O-CA 3.25Å; N543-N547 PolarHBondContact O-N 3.28Å; N543-N547 VanDerWaalsContact O-N 3.11Å; K544-N547 PolarHBondContact O-N 3.32Å; E545-N547 VanDerWaalsContact C-N 3.28Å; N547-K551 PolarHBondContact O-NZ 2.67Å
548	G	85.9	Confident	93.6	Very high	25 Å²	25	62.3 Å²	62.3	26%	0.258	31%	0.308	S	S	.	.	S	Bend	trans	144.7	172	179.7	0	0	0	0	0	113.6	N543 A546	N543-G548 WeakPolarHBondContact CA-O 3.18Å; N543-G548 PolarHBondContact O-N 2.77Å; A546-G548 VanDerWaalsContact C-N 3.34Å; A546-G548 PolarHBondContact O-N 3.21Å
549	N	86.6	Confident	93.5	Very high	6 Å²	6	54 Å²	54	3%	0.032	28%	0.279	C	S	.	.	S	Bend	trans	-87.1	169.1	172.1	-54.2	-48.1	0	0	0	110.4	F513 D515 N543 K551	F513-N549 WeakPolarHBondContact O-CB 3.13Å; F513-N549 PolarHBondContact O-ND2 2.97Å; D515-N549 PolarHBondContact OD1-ND2 3.16Å; N543-N549 VanDerWaalsContact CB-OD1 3.23Å; N543-N549 WeakPolarHBondContact CB-OD1 3.44Å; N543-N549 PolarHBondContact ND2-OD1 3.19Å; N549-K551 PolarHBondContact O-N 3.43Å
550	M	88.5	Confident	93.4	Very high	36 Å²	36	53.8 Å²	53.8	18%	0.177	28%	0.279	C	S	.	.	S	Bend	trans	56.8	24.9	176.5	-54.1	-61.4	-50.7	0	0	114.6	T468 L470 L472 M509 E510 I511	T468-M550 HydrophobicContact CG2-CE 4.04Å; L470-M550 HydrophobicContact CB-CE 4.23Å; L470-M550 HydrophobicContact CD1-CE 3.61Å; L470-M550 HydrophobicContact CD1-CG 4.38Å; L470-M550 HydrophobicContact CD1-SD 3.97Å; L470-M550 HydrophobicContact CG-CE 4.46Å; L472-M550 HydrophobicContact CD2-CE 3.44Å; L472-M550 VanDerWaalsContact CD2-CE 3.44Å; M509-M550 HydrophobicContact CE-CE 4.14Å; E510-M550 PolarHBondContact O-N 2.8Å; I511-M550 HydrophobicContact CB-SD 4.27Å; I511-M550 HydrophobicContact CG2-CE 4.12Å; I511-M550 HydrophobicContact CG2-SD 4.16Å
551	K	90.1	Very high	93.1	Very high	97 Å²	97	53.4 Å²	53.4	42%	0.422	28%	0.278	S	S	.	.			trans	-120.9	131.9	178	-72.6	177.4	-175.6	178	0	109.9	A546 N547 N549	A546-K551 HydrophobicContact CB-CB 3.76Å; A546-K551 VanDerWaalsContact O-CD 3.27Å; A546-K551 WeakPolarHBondContact O-CD 3.35Å; N547-K551 PolarHBondContact O-NZ 2.67Å; N549-K551 PolarHBondContact O-N 3.43Å
552	P	93	Very high	92.7	Very high	63 Å²	63	57.4 Å²	57.4	41%	0.409	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	143.8	179.8	29.8	-34.6	0	0	0	111.6	Y480 F508	Y480-P552 HydrophobicContact CD1-CB 4.06Å; Y480-P552 HydrophobicContact CD2-CB 4.26Å; Y480-P552 HydrophobicContact CE1-CB 3.53Å; Y480-P552 HydrophobicContact CE2-CB 3.76Å; Y480-P552 HydrophobicContact CE2-CG 4.41Å; Y480-P552 HydrophobicContact CG-CB 4.4Å; F508-P552 CarbonylContact O-C 3.6Å; F508-P552 WeakPolarHBondContact O-CA 3.28Å
553	V	94.4	Very high	92.2	Very high	17 Å²	17	61.2 Å²	61.2	10%	0.103	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130	170.8	174.5	0	0	0	0	108	F508 F540 E545 A546 K555	F508-V553 PolarHBondContact N-O 3.23Å; F508-V553 PolarHBondContact O-N 3.22Å; F540-V553 HydrophobicContact CZ-CG1 4.39Å; E545-V553 HydrophobicContact CB-CG1 4.26Å; E545-V553 HydrophobicContact CB-CG2 4.32Å; A546-V553 VanDerWaalsContact CA-CG2 3.41Å; A546-V553 HydrophobicContact CB-CG2 3.3Å; V553-K555 HydrophobicContact CG1-CD 4.43Å; V553-K555 HydrophobicContact CG1-CG 4.3Å
554	I	96.6	Very high	92.1	Very high	83 Å²	83	63 Å²	63	43%	0.426	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127.7	176.6	-54.6	173.8	0	0	0	107.7	K505 L506	K505-I554 HydrophobicContact CB-CG2 3.96Å; K505-I554 HydrophobicContact CD-CG2 4.48Å; L506-I554 WeakPolarHBondContact O-CA 3.48Å
555	K	98	Very high	92	Very high	49 Å²	49	56.4 Å²	56.4	21%	0.213	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.9	172.7	-65	-67.1	-172.4	-177.7	0	108.8	L506 F508 F536 L537 F540 E545 V553	L506-K555 PolarHBondContact N-O 2.83Å; L506-K555 PolarHBondContact O-N 3.48Å; F508-K555 HydrophobicContact CD2-CG 4.41Å; F508-K555 HydrophobicContact CE2-CB 4.28Å; F508-K555 HydrophobicContact CE2-CG 4.31Å; F536-K555 HydrophobicContact CE1-CB 3.78Å; F536-K555 HydrophobicContact CZ-CB 3.96Å; L537-K555 HydrophobicContact CD1-CB 4.01Å; L537-K555 HydrophobicContact CD1-CD 4.39Å; L537-K555 HydrophobicContact CD1-CG 3.74Å; L537-K555 HydrophobicContact CD2-CD 4.36Å; F540-K555 HydrophobicContact CE2-CG 4.17Å; F540-K555 HydrophobicContact CZ-CG 4.26Å; E545-K555 WeakPolarHBondContact OE2-CE 3.49Å; E545-K555 IonicContact OE2-NZ 3.05Å; E545-K555 PolarHBondContact OE2-NZ 3.32Å; V553-K555 HydrophobicContact CG1-CD 4.43Å; V553-K555 HydrophobicContact CG1-CG 4.3Å
556	E	97.4	Very high	92	Very high	98 Å²	98	51.9 Å²	51.9	46%	0.458	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	135	-171.2	-173.2	164.5	160.7	0	0	110.3	N503 V504 K505	N503-E556 VanDerWaalsContact CG-OE1 3.27Å; N503-E556 WeakPolarHBondContact ND2-CG 2.99Å; N503-E556 PolarHBondContact ND2-OE1 3.29Å; N503-E556 PolarHBondContact OD1-OE1 2.86Å; N503-E556 VanDerWaalsContact OD1-OE1 3.12Å; V504-E556 CarbonylContact O-C 3.59Å; V504-E556 VanDerWaalsContact O-CA 3.29Å; V504-E556 WeakPolarHBondContact O-CA 3.35Å; K505-E556 WeakPolarHBondContact CE-OE2 3.44Å; K505-E556 HydrophobicContact CG-CB 4.49Å; K505-E556 HydrophobicContact CG-CG 4.07Å; K505-E556 VanDerWaalsContact NZ-CD 3.35Å; K505-E556 IonicContact NZ-OE1 2.75Å; K505-E556 PolarHBondContact NZ-OE1 2.82Å; K505-E556 IonicContact NZ-OE2 3.68Å; K505-E556 PolarHBondContact NZ-OE2 2.8Å
557	I	97.4	Very high	92.2	Very high	50 Å²	50	52.1 Å²	52.1	26%	0.256	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	142.1	177.6	-176.9	164.4	0	0	0	110.1	V504 V531 F536	V504-I557 WeakPolarHBondContact CA-O 3.15Å; V504-I557 HydrophobicContact CB-CG2 3.99Å; V504-I557 VanDerWaalsContact CB-O 3.29Å; V504-I557 WeakPolarHBondContact CB-O 3.3Å; V504-I557 HydrophobicContact CG1-CG2 4.42Å; V504-I557 PolarHBondContact N-O 3.49Å; V504-I557 PolarHBondContact O-N 2.87Å; V531-I557 HydrophobicContact CB-CG2 4.44Å; V531-I557 HydrophobicContact CG1-CG2 4.35Å; V531-I557 HydrophobicContact CG2-CG2 4.03Å; F536-I557 HydrophobicContact CB-CD1 4.29Å; F536-I557 HydrophobicContact CD1-CG2 4.11Å; F536-I557 HydrophobicContact CD2-CB 4.2Å; F536-I557 HydrophobicContact CD2-CD1 3.48Å; F536-I557 VanDerWaalsContact CD2-CD1 3.48Å; F536-I557 HydrophobicContact CD2-CG1 4.37Å; F536-I557 HydrophobicContact CE1-CB 4.21Å; F536-I557 HydrophobicContact CE1-CG2 3.93Å; F536-I557 HydrophobicContact CE2-CB 3.82Å; F536-I557 HydrophobicContact CE2-CD1 3.91Å; F536-I557 HydrophobicContact CE2-CG1 4.33Å; F536-I557 HydrophobicContact CE2-CG2 4.37Å; F536-I557 HydrophobicContact CG-CD1 3.9Å; F536-I557 HydrophobicContact CG-CG2 4.4Å; F536-I557 HydrophobicContact CZ-CB 3.82Å; F536-I557 HydrophobicContact CZ-CG2 4.07Å
558	N	96	Very high	92.7	Very high	98 Å²	98	45.7 Å²	45.7	52%	0.524	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128.5	170.1	-69	-28.4	0	0	0	110.1	Y502 N503	Y502-N558 CarbonylContact O-C 3.58Å; Y502-N558 VanDerWaalsContact O-CA 3.31Å; Y502-N558 WeakPolarHBondContact O-CA 3.21Å; N503-N558 WeakPolarHBondContact CA-OD1 3.32Å; N503-N558 PolarHBondContact ND2-OD1 2.85Å; N503-N558 VanDerWaalsContact ND2-OD1 3.08Å
559	A	94.6	Very high	93.3	Very high	7 Å²	7	46.7 Å²	46.7	6%	0.058	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.6	176.8	0	0	0	0	0	110.4	Y502 V504 V531 Q532 L566	Y502-A559 PolarHBondContact N-O 2.55Å; Y502-A559 PolarHBondContact O-N 3.47Å; V504-A559 HydrophobicContact CG2-CB 3.82Å; V531-A559 HydrophobicContact CG1-CB 3.88Å; Q532-A559 HydrophobicContact CG-CB 4.43Å; A559-L566 HydrophobicContact CB-CD1 3.97Å
560	T	94.6	Very high	93.9	Very high	50 Å²	50	46.4 Å²	46.4	31%	0.307	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	127.2	174.8	-54.9	0	0	0	0	109.9	G500 N501 T562	G500-T560 WeakPolarHBondContact O-CA 3.32Å; N501-T560 PolarHBondContact OD1-OG1 2.84Å; T560-T562 HydrophobicContact CG2-CG2 4.01Å
561	V	92.2	Very high	94.3	Very high	1 Å²	1	45 Å²	45	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	120.1	172.9	176.4	0	0	0	0	108.7	L497 N499 G500 Y502 L566	L497-V561 HydrophobicContact CB-CG1 4.17Å; L497-V561 HydrophobicContact CD1-CG2 4.1Å; N499-V561 CarbonylContact C-O 3.59Å; N499-V561 VanDerWaalsContact CA-O 3.3Å; N499-V561 WeakPolarHBondContact CA-O 3.28Å; N499-V561 WeakPolarHBondContact CB-O 3.47Å; N499-V561 PolarHBondContact OD1-O 2.76Å; G500-V561 PolarHBondContact N-O 2.83Å; G500-V561 PolarHBondContact O-N 2.81Å; Y502-V561 HydrophobicContact CD2-CB 4.05Å; Y502-V561 HydrophobicContact CD2-CG2 3.48Å; Y502-V561 VanDerWaalsContact CD2-CG2 3.48Å; Y502-V561 HydrophobicContact CE2-CB 3.91Å; Y502-V561 HydrophobicContact CE2-CG2 3.72Å; Y502-V561 HydrophobicContact CG-CG2 4.41Å; V561-L566 HydrophobicContact CG2-CB 3.98Å; V561-L566 HydrophobicContact CG2-CD1 3.89Å; V561-L566 HydrophobicContact CG2-CG 4.37Å
562	T	88.5	Confident	94.7	Very high	100 Å²	100	40.8 Å²	40.8	61%	0.613	21%	0.214	S	C	*	.	S	Bend	trans	-115.7	-15.2	-179.5	56.2	0	0	0	0	113.5	N499 T560	N499-T562 PolarHBondContact ND2-O 2.78Å; N499-T562 PolarHBondContact OD1-O 2.76Å; T560-T562 HydrophobicContact CG2-CG2 4.01Å
563	N	84.1	Confident	94.8	Very high	79 Å²	79	38.1 Å²	38.1	42%	0.422	20%	0.198	S	C	.	.	S	Bend	trans	-127.5	26.1	-173.2	65.4	-9.7	0	0	0	112.1	N499 M565	N499-N563 PolarHBondContact OD1-N 3.15Å; N563-M565 PolarHBondContact O-N 3.19Å; N563-M565 PolarHBondContact OD1-N 2.75Å; N563-M565 PolarHBondContact OD1-O 2.87Å
564	H	90.2	Very high	94.8	Very high	59 Å²	59	37.5 Å²	37.5	27%	0.273	19%	0.194	S	C	.	.	S	Bend	trans	59.9	12.1	-177	-52.2	-69.5	0	0	0	115.4	Y403 F495 C496 L497 N499	Y403-H564 AromaticContact CD1-ND1 3.66Å; Y403-H564 HydrophobicContact CE1-CB 4.39Å; Y403-H564 AromaticContact CE1-CE1 3.47Å; Y403-H564 VanDerWaalsContact CE1-CE1 3.47Å; Y403-H564 WeakPolarHBondContact CE1-CE1 3.23Å; Y403-H564 AromaticContact CE1-CG 3.71Å; Y403-H564 AromaticContact CE1-ND1 3.23Å; Y403-H564 WeakPolarHBondContact CE1-ND1 3.31Å; Y403-H564 AromaticContact CZ-CE1 3.63Å; Y403-H564 AromaticContact CZ-ND1 3.9Å; F495-H564 CarbonylContact C-O 3.31Å; F495-H564 VanDerWaalsContact CA-O 3.28Å; F495-H564 WeakPolarHBondContact CA-O 3.46Å; C496-H564 PolarHBondContact N-O 3.04Å; C496-H564 VanDerWaalsContact N-O 3.16Å; L497-H564 PolarHBondContact N-O 2.87Å; L497-H564 WeakPolarHBondContact O-CA 3.37Å; L497-H564 WeakPolarHBondContact O-CB 3.28Å; L497-H564 PolarHBondContact O-ND1 2.53Å; N499-H564 VanDerWaalsContact CG-CE1 3.48Å; N499-H564 PolarHBondContact ND2-CE1 3.02Å; N499-H564 PolarHBondContact ND2-NE2 2.81Å; N499-H564 PolarHBondContact OD1-N 3.36Å; N499-H564 PolarHBondContact OD1-ND1 2.8Å
565	M	90	Very high	94.7	Very high	19 Å²	19	36.3 Å²	36.3	9%	0.094	19%	0.186	C	C	.	.			trans	-124.3	142.6	-180	-67.2	-171	65.4	0	0	112.8	L391 Y493 A494 F495 Q532 N563	L391-M565 HydrophobicContact CD2-CE 3.99Å; L391-M565 HydrophobicContact CD2-SD 4.21Å; Y493-M565 HydrophobicContact CD2-CE 4.21Å; A494-M565 CarbonylContact O-C 3.56Å; A494-M565 WeakPolarHBondContact O-CA 3.32Å; F495-M565 HydrophobicContact CB-CG 3.99Å; Q532-M565 PolarHBondContact NE2-O 2.84Å; N563-M565 PolarHBondContact O-N 3.19Å; N563-M565 PolarHBondContact OD1-N 2.75Å; N563-M565 PolarHBondContact OD1-O 2.87Å
566	L	94.9	Very high	94.6	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	119.4	170.4	-167.4	149.2	0	0	0	111.3	Y493 A494 L497 Y502 V504 Q532 A559 V561 I568 L595	Y493-L566 CarbonylContact C-O 3.59Å; Y493-L566 VanDerWaalsContact CA-O 3.27Å; Y493-L566 WeakPolarHBondContact CA-O 3.48Å; A494-L566 HydrophobicContact CB-CB 4.32Å; A494-L566 PolarHBondContact N-O 2.82Å; A494-L566 PolarHBondContact O-N 2.93Å; L497-L566 HydrophobicContact CD1-CB 3.51Å; Y502-L566 HydrophobicContact CG-CD1 4.45Å; V504-L566 HydrophobicContact CG2-CD1 3.76Å; V504-L566 HydrophobicContact CG2-CD2 4.45Å; Q532-L566 VanDerWaalsContact NE2-CA 3.27Å; A559-L566 HydrophobicContact CB-CD1 3.97Å; V561-L566 HydrophobicContact CG2-CB 3.98Å; V561-L566 HydrophobicContact CG2-CD1 3.89Å; V561-L566 HydrophobicContact CG2-CG 4.37Å; L566-I568 HydrophobicContact CD2-CD1 3.74Å; L566-I568 HydrophobicContact CD2-CG1 3.69Å; L566-L595 HydrophobicContact CB-CD1 4.35Å; L566-L595 HydrophobicContact CD1-CD1 4.4Å; L566-L595 HydrophobicContact CD1-CD2 4.24Å; L566-L595 HydrophobicContact CD2-CD1 4.07Å; L566-L595 HydrophobicContact CD2-CD2 3.86Å
567	E	95.2	Very high	94.5	Very high	20 Å²	20	29.4 Å²	29.4	9%	0.093	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133.8	176.7	-175	175.3	109	0	0	111.8	Y361 Y379 Q380 V491 Q532 R569	Y361-E567 PolarHBondContact OH-OE1 3.36Å; Y361-E567 PolarHBondContact OH-OE2 2.56Å; Y379-E567 VanDerWaalsContact CE1-OE2 3.29Å; Y379-E567 WeakPolarHBondContact CE1-OE2 3.17Å; Y379-E567 PolarHBondContact OH-OE2 3.38Å; Q380-E567 PolarHBondContact NE2-OE2 2.86Å; Q380-E567 VanDerWaalsContact NE2-OE2 3.12Å; V491-E567 HydrophobicContact CG1-CG 3.62Å; Q532-E567 PolarHBondContact N-O 3.03Å; E567-R569 IonicContact OE1-CZ 2.66Å; E567-R569 IonicContact OE1-NE 2.68Å; E567-R569 IonicContact OE1-NH2 3.4Å; E567-R569 PolarHBondContact OE1-NH2 2.89Å
568	I	98.6	Very high	94.4	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121	169.1	-62.6	151.6	0	0	0	107.1	V491 Y492 V504 L506 Y530 V531 L566 L570 I593 L595	V491-I568 CarbonylContact C-O 3.55Å; V491-I568 VanDerWaalsContact CA-O 3.31Å; V491-I568 WeakPolarHBondContact CA-O 3.39Å; Y492-I568 PolarHBondContact N-O 2.77Å; Y492-I568 PolarHBondContact O-N 2.93Å; V504-I568 HydrophobicContact CG1-CD1 3.95Å; V504-I568 HydrophobicContact CG1-CG1 4.42Å; L506-I568 HydrophobicContact CD1-CG2 4.18Å; L506-I568 HydrophobicContact CD2-CD1 3.72Å; L506-I568 HydrophobicContact CD2-CG1 4.3Å; L506-I568 HydrophobicContact CD2-CG2 4.04Å; Y530-I568 CarbonylContact O-C 3.58Å; Y530-I568 WeakPolarHBondContact O-CA 3.36Å; V531-I568 HydrophobicContact CG1-CG1 4.48Å; V531-I568 HydrophobicContact CG2-CG1 4.34Å; L566-I568 HydrophobicContact CD2-CD1 3.74Å; L566-I568 HydrophobicContact CD2-CG1 3.69Å; I568-L570 HydrophobicContact CG2-CD1 3.95Å; I568-I593 HydrophobicContact CD1-CD1 4.12Å; I568-I593 HydrophobicContact CD1-CG1 4.46Å; I568-I593 HydrophobicContact CD1-CG2 3.74Å; I568-L595 HydrophobicContact CD1-CD2 4.12Å
569	R	98.4	Very high	94.3	Very high	45 Å²	45	23 Å²	23	17%	0.17	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.2	178.4	176.9	-174.8	-44.7	177.2	12.6	110.3	Y361 L490 V491 V529 Y530 E567	Y361-R569 PolarHBondContact OH-NE 3.49Å; Y361-R569 PolarHBondContact OH-NH2 2.79Å; L490-R569 CarbonylContact O-C 3.55Å; L490-R569 WeakPolarHBondContact O-CA 3.35Å; V491-R569 HydrophobicContact CG2-CB 4.01Å; V491-R569 HydrophobicContact CG2-CG 3.8Å; V529-R569 CarbonylContact C-O 3.57Å; V529-R569 WeakPolarHBondContact CA-O 3.5Å; Y530-R569 PolarHBondContact N-O 2.79Å; Y530-R569 PolarHBondContact O-N 2.84Å; E567-R569 IonicContact OE1-CZ 2.66Å; E567-R569 IonicContact OE1-NE 2.68Å; E567-R569 IonicContact OE1-NH2 3.4Å; E567-R569 PolarHBondContact OE1-NH2 2.89Å
570	L	98.7	Very high	94.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	134.4	170.5	-55.8	75.3	0	0	0	108.2	S489 L490 F508 F527 D528 V529 I568 P588 I590	S489-L570 WeakPolarHBondContact CA-O 3.3Å; S489-L570 PolarHBondContact OG-O 3.48Å; L490-L570 HydrophobicContact CB-CB 4.44Å; L490-L570 PolarHBondContact N-O 2.88Å; L490-L570 PolarHBondContact O-N 3.19Å; F508-L570 HydrophobicContact CE1-CD2 4.01Å; F527-L570 HydrophobicContact CD2-CB 4.26Å; F527-L570 HydrophobicContact CD2-CD2 4.29Å; F527-L570 HydrophobicContact CE2-CD2 3.75Å; F527-L570 HydrophobicContact CE2-CG 4.41Å; F527-L570 HydrophobicContact CZ-CD2 4.46Å; D528-L570 CarbonylContact O-C 3.34Å; D528-L570 VanDerWaalsContact O-CA 3.3Å; D528-L570 WeakPolarHBondContact O-CA 3.34Å; V529-L570 HydrophobicContact CG2-CG 4.36Å; I568-L570 HydrophobicContact CG2-CD1 3.95Å; L570-P588 HydrophobicContact CB-CB 3.52Å; L570-P588 HydrophobicContact CB-CG 3.83Å; L570-P588 HydrophobicContact CD2-CB 3.93Å; L570-P588 HydrophobicContact CG-CB 4.4Å; L570-I590 HydrophobicContact CD2-CB 4Å; L570-I590 HydrophobicContact CD2-CD1 4.42Å; L570-I590 HydrophobicContact CD2-CG2 4.26Å
571	Y	97.9	Very high	94	Very high	8 Å²	8	21.4 Å²	21.4	3%	0.031	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	128.3	-171.1	169.2	-109.6	0	0	0	111.7	D271 R292 F317 L488 F527 D528 A573	D271-Y571 VanDerWaalsContact CG-OH 3.28Å; D271-Y571 WeakPolarHBondContact OD1-CE1 3.35Å; D271-Y571 PolarHBondContact OD1-OH 3.27Å; D271-Y571 PolarHBondContact OD2-OH 2.85Å; D271-Y571 VanDerWaalsContact OD2-OH 3.13Å; R292-Y571 WeakPolarHBondContact CD-OH 3.47Å; R292-Y571 PolarHBondContact NE-OH 3.27Å; F317-Y571 HydrophobicContact CD2-CD2 4.25Å; F317-Y571 AromaticContact CD2-CE2 3.6Å; F317-Y571 HydrophobicContact CD2-CE2 3.6Å; F317-Y571 AromaticContact CE2-CD2 3.74Å; F317-Y571 HydrophobicContact CE2-CD2 3.74Å; F317-Y571 AromaticContact CE2-CE2 3.52Å; F317-Y571 HydrophobicContact CE2-CE2 3.52Å; F317-Y571 HydrophobicContact CG-CE2 4.39Å; F317-Y571 HydrophobicContact CZ-CD2 4.08Å; F317-Y571 HydrophobicContact CZ-CE2 4.26Å; L488-Y571 HydrophobicContact CD1-CD2 4.16Å; L488-Y571 HydrophobicContact CD1-CE2 3.75Å; F527-Y571 CarbonylContact C-O 3.43Å; F527-Y571 WeakPolarHBondContact CA-O 3.35Å; F527-Y571 VanDerWaalsContact CB-O 3.29Å; F527-Y571 WeakPolarHBondContact CB-O 3.44Å; D528-Y571 HydrophobicContact CB-CD1 4.45Å; D528-Y571 PolarHBondContact N-O 2.93Å; D528-Y571 PolarHBondContact O-N 3.01Å; Y571-A573 HydrophobicContact CD1-CB 4.17Å; Y571-A573 HydrophobicContact CE1-CB 3.64Å
572	W	97.8	Very high	93.9	Very high	7 Å²	7	27 Å²	27	3%	0.027	14%	0.136	C	C	.	.			trans	-91.8	106.1	174.7	-178.6	61.5	0	0	0	111.5	R292 L488 I526 G574 K575 T578 Y586	R292-W572 PolarHBondContact NH1-O 3.14Å; R292-W572 VanDerWaalsContact NH1-O 3.1Å; R292-W572 PolarHBondContact NH2-O 2.96Å; L488-W572 PolarHBondContact O-N 3.34Å; I526-W572 VanDerWaalsContact O-CD1 3.23Å; W572-G574 VanDerWaalsContact CE2-CA 3.49Å; W572-G574 PolarHBondContact O-N 2.82Å; W572-G574 VanDerWaalsContact O-N 3.16Å; W572-K575 PolarHBondContact NE1-O 3.49Å; W572-T578 HydrophobicContact CZ2-CG2 4.14Å; W572-Y586 AromaticContact CD2-CD2 3.63Å; W572-Y586 HydrophobicContact CD2-CD2 3.63Å; W572-Y586 AromaticContact CD2-CE2 3.97Å; W572-Y586 HydrophobicContact CD2-CE2 3.97Å; W572-Y586 AromaticContact CE2-CD2 3.44Å; W572-Y586 VanDerWaalsContact CE2-CD2 3.44Å; W572-Y586 AromaticContact CE3-CD2 3.78Å; W572-Y586 HydrophobicContact CE3-CD2 3.78Å; W572-Y586 AromaticContact CE3-CE2 3.61Å; W572-Y586 HydrophobicContact CE3-CE2 3.61Å; W572-Y586 HydrophobicContact CG-CD2 4.35Å; W572-Y586 AromaticContact CH2-CD2 3.61Å; W572-Y586 HydrophobicContact CH2-CD2 3.61Å; W572-Y586 AromaticContact CH2-CE2 3.46Å; W572-Y586 HydrophobicContact CH2-CE2 3.46Å; W572-Y586 VanDerWaalsContact CH2-CE2 3.46Å; W572-Y586 HydrophobicContact CH2-CG 4.35Å; W572-Y586 AromaticContact CZ2-CD2 3.45Å; W572-Y586 HydrophobicContact CZ2-CD2 3.45Å; W572-Y586 VanDerWaalsContact CZ2-CD2 3.45Å; W572-Y586 AromaticContact CZ2-CE2 3.84Å; W572-Y586 HydrophobicContact CZ2-CE2 3.84Å; W572-Y586 AromaticContact CZ2-CG 3.98Å; W572-Y586 HydrophobicContact CZ2-CG 3.98Å; W572-Y586 AromaticContact CZ3-CD2 3.78Å; W572-Y586 HydrophobicContact CZ3-CD2 3.78Å; W572-Y586 AromaticContact CZ3-CE2 3.34Å; W572-Y586 HydrophobicContact CZ3-CE2 3.34Å
573	A	94.7	Very high	94.1	Very high	8 Å²	8	25.5 Å²	25.5	7%	0.066	12%	0.119	C	C	.	.			trans	-79.9	20.3	178.3	0	0	0	0	0	114.1	A247 D271 R292 Y571 K575	A247-A573 WeakPolarHBondContact CB-O 3.39Å; D271-A573 VanDerWaalsContact OD2-C 3.28Å; D271-A573 WeakPolarHBondContact OD2-CA 3.39Å; R292-A573 PolarHBondContact NH2-O 2.85Å; Y571-A573 HydrophobicContact CD1-CB 4.17Å; Y571-A573 HydrophobicContact CE1-CB 3.64Å; A573-K575 VanDerWaalsContact C-N 3.33Å; A573-K575 PolarHBondContact O-N 3.04Å
574	G	94.3	Very high	94.5	Very high	3 Å²	3	22 Å²	22	3%	0.031	10%	0.101	C	C	.	.	S	Bend	trans	83.5	7.1	174	0	0	0	0	0	114.6	W572	W572-G574 VanDerWaalsContact CE2-CA 3.49Å; W572-G574 PolarHBondContact O-N 2.82Å; W572-G574 VanDerWaalsContact O-N 3.16Å
575	K	95.5	Very high	94.6	Very high	58 Å²	58	19.6 Å²	19.6	25%	0.252	9%	0.091	S	C	.	.			trans	-98.4	160.3	179.7	-65.9	-173.7	-171.9	169.6	0	112.8	D223 A247 I526 D539 W572 A573	D223-K575 WeakPolarHBondContact OD1-CA 3.46Å; D223-K575 WeakPolarHBondContact OD1-CB 3.47Å; A247-K575 HydrophobicContact CB-CG 3.66Å; I526-K575 HydrophobicContact CB-CB 4.04Å; I526-K575 HydrophobicContact CD1-CB 4.38Å; I526-K575 HydrophobicContact CG2-CB 3.95Å; I526-K575 HydrophobicContact CG2-CD 4.45Å; D539-K575 VanDerWaalsContact OD1-CD 3.28Å; D539-K575 WeakPolarHBondContact OD1-CD 3.09Å; D539-K575 WeakPolarHBondContact OD1-CE 3.37Å; D539-K575 IonicContact OD1-NZ 3.44Å; D539-K575 PolarHBondContact OD1-NZ 3.42Å; D539-K575 IonicContact OD2-NZ 3.91Å; D539-K575 PolarHBondContact OD2-NZ 3.26Å; W572-K575 PolarHBondContact NE1-O 3.49Å; A573-K575 VanDerWaalsContact C-N 3.33Å; A573-K575 PolarHBondContact O-N 3.04Å
576	G	95.6	Very high	94.9	Very high	1 Å²	1	19 Å²	19	1%	0.01	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	94.4	171.5	-176.9	0	0	0	0	0	112.9	S199 D223 R524	S199-G576 PolarHBondContact OG-O 3.04Å; S199-G576 VanDerWaalsContact OG-O 3.08Å; D223-G576 VanDerWaalsContact CG-N 3.26Å; D223-G576 PolarHBondContact OD1-N 3.25Å; D223-G576 PolarHBondContact OD2-N 2.85Å; D223-G576 VanDerWaalsContact OD2-N 3.13Å; R524-G576 CarbonylContact O-C 3.44Å; R524-G576 WeakPolarHBondContact O-CA 3.4Å
577	T	95.9	Very high	95	Very high	2 Å²	2	19 Å²	19	1%	0.012	9%	0.087	C	C	.	.			trans	-79.9	131.5	-178.1	54.7	0	0	0	0	110.2	G523 R524 I580	G523-T577 WeakPolarHBondContact CA-OG1 3.14Å; R524-T577 HydrophobicContact CB-CG2 4.34Å; R524-T577 PolarHBondContact N-OG1 3.13Å; R524-T577 PolarHBondContact O-N 2.91Å; R524-T577 PolarHBondContact O-OG1 2.87Å; T577-I580 HydrophobicContact CG2-CD1 4.15Å
578	T	95.1	Very high	95.1	Very high	13 Å²	13	18 Å²	18	8%	0.08	8%	0.083	C	C	.	.	S	Bend	trans	-98.2	-22.5	176.4	72.4	0	0	0	0	113.2	D456 W572 R583 G584 N585 Y586	D456-T578 WeakPolarHBondContact OD2-CB 3.45Å; D456-T578 PolarHBondContact OD2-OG1 2.67Å; W572-T578 HydrophobicContact CZ2-CG2 4.14Å; T578-R583 VanDerWaalsContact O-CA 3.25Å; T578-R583 WeakPolarHBondContact O-CA 3.42Å; T578-G584 PolarHBondContact O-N 2.82Å; T578-N585 PolarHBondContact O-N 2.84Å; T578-Y586 HydrophobicContact CG2-CD1 3.79Å; T578-Y586 HydrophobicContact CG2-CE1 4.31Å; T578-Y586 HydrophobicContact CG2-CG 4.06Å
579	L	93.6	Very high	95.1	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	8%	0.082	C	C	.	.	S	Bend	trans	-93.4	-0.6	-173.3	78.4	172.6	0	0	0	116.6	R127 C150 A151 E174 P581 K582 R583	R127-L579 PolarHBondContact NE-O 3.38Å; R127-L579 PolarHBondContact NH2-O 3Å; C150-L579 HydrophobicContact CB-CD1 3.78Å; A151-L579 HydrophobicContact CB-CD1 4.1Å; A151-L579 HydrophobicContact CB-CG 4.2Å; E174-L579 HydrophobicContact CB-CD1 4.27Å; E174-L579 HydrophobicContact CG-CD1 3.89Å; E174-L579 HydrophobicContact CG-CD2 3.95Å; L579-P581 CarbonylContact O-C 3.17Å; L579-K582 CarbonylContact C-O 3.51Å; L579-K582 CarbonylContact O-C 3.08Å; L579-K582 WeakPolarHBondContact O-CA 3.33Å; L579-K582 PolarHBondContact O-N 2.79Å; L579-R583 HydrophobicContact CB-CG 4.07Å
580	I	93.4	Very high	95.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.074	C	C	.	.	S	Bend	trans	-116	131.4	-175.8	-59.5	-178.3	0	0	0	109.5	A151 F513 L522 T577 K582 N585	A151-I580 HydrophobicContact CB-CD1 3.74Å; A151-I580 HydrophobicContact CB-CG1 3.69Å; F513-I580 WeakPolarHBondContact CE1-O 3.05Å; L522-I580 HydrophobicContact CB-CD1 4.01Å; T577-I580 HydrophobicContact CG2-CD1 4.15Å; I580-K582 VanDerWaalsContact C-N 3.31Å; I580-N585 WeakPolarHBondContact O-CB 3.47Å
581	P	89.8	Confident	95	Very high	23 Å²	23	15.8 Å²	15.8	15%	0.149	7%	0.074	C	C	.	.	S	Bend	cis	-67.6	-31.2	-6	28.5	-35.2	0	0	0	111.6	R127 Y519 L579	R127-P581 WeakPolarHBondContact CD-O 3.37Å; R127-P581 PolarHBondContact NE-O 2.72Å; Y519-P581 HydrophobicContact CE2-CB 4.39Å; L579-P581 CarbonylContact O-C 3.17Å
582	K	89.9	Confident	95	Very high	117 Å²	117	15.4 Å²	15.4	51%	0.509	7%	0.073	S	C	.	.	S	Bend	trans	-133.8	169.7	169.4	63.1	-178.2	-178.8	177.8	0	110.1	L579 I580 N585	L579-K582 CarbonylContact C-O 3.51Å; L579-K582 CarbonylContact O-C 3.08Å; L579-K582 WeakPolarHBondContact O-CA 3.33Å; L579-K582 PolarHBondContact O-N 2.79Å; I580-K582 VanDerWaalsContact C-N 3.31Å; K582-N585 VanDerWaalsContact CG-ND2 3.26Å; K582-N585 WeakPolarHBondContact CG-ND2 3.11Å; K582-N585 PolarHBondContact O-ND2 3.17Å
583	R	92	Very high	95.1	Very high	70 Å²	70	15.1 Å²	15.1	26%	0.264	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	150.8	175.2	-67.2	-164.3	-177.6	-77.9	1.8	111.1	E174 E196 D456 D457 T578 L579 N585	E174-R583 IonicContact OE1-NH1 2.66Å; E174-R583 IonicContact OE2-CZ 3.41Å; E174-R583 IonicContact OE2-NH1 3.25Å; E174-R583 PolarHBondContact OE2-NH1 2.87Å; E174-R583 IonicContact OE2-NH2 2.61Å; E174-R583 PolarHBondContact OE2-NH2 3.26Å; E196-R583 IonicContact OE2-NH2 3.38Å; D456-R583 WeakPolarHBondContact O-CB 3.49Å; D456-R583 WeakPolarHBondContact O-CD 3.48Å; D456-R583 IonicContact OD2-NH1 3.54Å; D456-R583 PolarHBondContact OD2-NH1 2.85Å; D457-R583 HydrophobicContact CB-CB 4.25Å; T578-R583 VanDerWaalsContact O-CA 3.25Å; T578-R583 WeakPolarHBondContact O-CA 3.42Å; L579-R583 HydrophobicContact CB-CG 4.07Å; R583-N585 PolarHBondContact O-ND2 2.59Å
584	G	92.6	Very high	95.2	Very high	4 Å²	4	14.9 Å²	14.9	4%	0.041	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	10.4	-174.1	0	0	0	0	0	115.4	F454 D456 R485 T578	F454-G584 VanDerWaalsContact CD1-O 3.29Å; F454-G584 WeakPolarHBondContact CD1-O 3.27Å; D456-G584 WeakPolarHBondContact OD1-CA 3.42Å; D456-G584 PolarHBondContact OD1-N 2.82Å; R485-G584 PolarHBondContact NH1-O 2.91Å; R485-G584 PolarHBondContact NH2-O 3.15Å; T578-G584 PolarHBondContact O-N 2.82Å
585	N	93.4	Very high	95.4	Very high	10 Å²	10	14.9 Å²	14.9	5%	0.053	7%	0.069	C	C	.	.			trans	-109.5	68.1	-178.7	-69.2	-79.7	0	0	0	112.9	R485 Q512 F513 T578 I580 K582 R583	R485-N585 PolarHBondContact NH1-OD1 2.7Å; Q512-N585 PolarHBondContact NE2-OD1 3.32Å; Q512-N585 VanDerWaalsContact NE2-OD1 3.08Å; F513-N585 HydrophobicContact CE1-CB 4.43Å; T578-N585 PolarHBondContact O-N 2.84Å; I580-N585 WeakPolarHBondContact O-CB 3.47Å; K582-N585 VanDerWaalsContact CG-ND2 3.26Å; K582-N585 WeakPolarHBondContact CG-ND2 3.11Å; K582-N585 PolarHBondContact O-ND2 3.17Å; R583-N585 PolarHBondContact O-ND2 2.59Å
586	Y	95.8	Very high	95.5	Very high	6 Å²	6	13.1 Å²	13.1	2%	0.024	6%	0.063	C	C	.	.			trans	-141.7	-171	177	61.3	-91.6	0	0	0	110.9	D453 F454 T455 D456 R485 A487 R525 W572 T578	D453-Y586 PolarHBondContact O-OH 2.79Å; F454-Y586 WeakPolarHBondContact CA-OH 3.41Å; F454-Y586 HydrophobicContact CD1-CD1 4.14Å; F454-Y586 HydrophobicContact CD1-CD2 4.41Å; F454-Y586 AromaticContact CD1-CE1 3.71Å; F454-Y586 HydrophobicContact CD1-CE1 3.71Å; F454-Y586 AromaticContact CD1-CE2 3.98Å; F454-Y586 HydrophobicContact CD1-CE2 3.98Å; F454-Y586 HydrophobicContact CD1-CG 4.5Å; F454-Y586 AromaticContact CD1-CZ 3.64Å; F454-Y586 HydrophobicContact CE1-CD2 4.38Å; F454-Y586 HydrophobicContact CE1-CE2 4.27Å; F454-Y586 WeakPolarHBondContact CE1-O 3.42Å; T455-Y586 PolarHBondContact N-OH 2.82Å; D456-Y586 WeakPolarHBondContact OD1-CE1 3.35Å; R485-Y586 PolarHBondContact NH2-O 3.46Å; A487-Y586 HydrophobicContact CB-CE2 4.31Å; A487-Y586 WeakPolarHBondContact O-CE2 3.38Å; R525-Y586 PolarHBondContact NH1-O 3.31Å; W572-Y586 AromaticContact CD2-CD2 3.63Å; W572-Y586 HydrophobicContact CD2-CD2 3.63Å; W572-Y586 AromaticContact CD2-CE2 3.97Å; W572-Y586 HydrophobicContact CD2-CE2 3.97Å; W572-Y586 AromaticContact CE2-CD2 3.44Å; W572-Y586 VanDerWaalsContact CE2-CD2 3.44Å; W572-Y586 AromaticContact CE3-CD2 3.78Å; W572-Y586 HydrophobicContact CE3-CD2 3.78Å; W572-Y586 AromaticContact CE3-CE2 3.61Å; W572-Y586 HydrophobicContact CE3-CE2 3.61Å; W572-Y586 HydrophobicContact CG-CD2 4.35Å; W572-Y586 AromaticContact CH2-CD2 3.61Å; W572-Y586 HydrophobicContact CH2-CD2 3.61Å; W572-Y586 AromaticContact CH2-CE2 3.46Å; W572-Y586 HydrophobicContact CH2-CE2 3.46Å; W572-Y586 VanDerWaalsContact CH2-CE2 3.46Å; W572-Y586 HydrophobicContact CH2-CG 4.35Å; W572-Y586 AromaticContact CZ2-CD2 3.45Å; W572-Y586 HydrophobicContact CZ2-CD2 3.45Å; W572-Y586 VanDerWaalsContact CZ2-CD2 3.45Å; W572-Y586 AromaticContact CZ2-CE2 3.84Å; W572-Y586 HydrophobicContact CZ2-CE2 3.84Å; W572-Y586 AromaticContact CZ2-CG 3.98Å; W572-Y586 HydrophobicContact CZ2-CG 3.98Å; W572-Y586 AromaticContact CZ3-CD2 3.78Å; W572-Y586 HydrophobicContact CZ3-CD2 3.78Å; W572-Y586 AromaticContact CZ3-CE2 3.34Å; W572-Y586 HydrophobicContact CZ3-CE2 3.34Å; T578-Y586 HydrophobicContact CG2-CD1 3.79Å; T578-Y586 HydrophobicContact CG2-CE1 4.31Å; T578-Y586 HydrophobicContact CG2-CG 4.06Å
587	G	97.1	Very high	95.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	82	-174.9	175.9	0	0	0	0	0	114.4	S486 R525	S486-G587 WeakPolarHBondContact O-CA 3.44Å; R525-G587 VanDerWaalsContact CD-O 3.22Å; R525-G587 WeakPolarHBondContact CD-O 3.37Å; R525-G587 WeakPolarHBondContact CG-O 3.39Å; R525-G587 PolarHBondContact NH1-O 2.82Å
588	P	98.2	Very high	95.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.072	C	C	.	.			trans	-64.4	151.6	-177.8	-22.5	37.3	0	0	0	112.8	R485 S486 F527 L570	R485-P588 WeakPolarHBondContact CA-O 3.1Å; R485-P588 WeakPolarHBondContact CB-O 3.37Å; S486-P588 PolarHBondContact N-O 2.93Å; S486-P588 WeakPolarHBondContact O-CD 3.29Å; F527-P588 HydrophobicContact CB-CG 4.25Å; F527-P588 HydrophobicContact CD2-CB 4.21Å; F527-P588 HydrophobicContact CG-CB 4.21Å; F527-P588 HydrophobicContact CG-CG 4.42Å; L570-P588 HydrophobicContact CB-CB 3.52Å; L570-P588 HydrophobicContact CB-CG 3.83Å; L570-P588 HydrophobicContact CD2-CB 3.93Å; L570-P588 HydrophobicContact CG-CB 4.4Å
589	L	97.9	Very high	95.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	132.5	173.5	-174.9	81.9	0	0	0	107.9	T466 A483 R484 R485 F508 M509 I542	T466-L589 HydrophobicContact CG2-CD1 3.69Å; A483-L589 HydrophobicContact CB-CD1 3.58Å; A483-L589 HydrophobicContact CB-CD2 4.49Å; A483-L589 HydrophobicContact CB-CG 3.85Å; R484-L589 CarbonylContact O-C 3.53Å; R484-L589 VanDerWaalsContact O-CA 3.29Å; R484-L589 WeakPolarHBondContact O-CA 3.5Å; R485-L589 HydrophobicContact CB-CD1 3.91Å; F508-L589 WeakPolarHBondContact CD1-O 3.37Å; F508-L589 WeakPolarHBondContact CE1-O 3.49Å; M509-L589 WeakPolarHBondContact O-CD2 3.37Å; I542-L589 HydrophobicContact CD1-CB 3.99Å; I542-L589 HydrophobicContact CD1-CD2 3.96Å; I542-L589 HydrophobicContact CD1-CG 4.44Å
590	I	98.3	Very high	94.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	136.1	176.8	-171.3	168.4	0	0	0	110.4	C411 A483 R484 L490 Y492 L506 H507 F508 L570 I593	C411-I590 HydrophobicContact CB-CG2 3.97Å; C411-I590 VanDerWaalsContact CB-O 3.28Å; C411-I590 WeakPolarHBondContact CB-O 3.43Å; A483-I590 CarbonylContact C-O 3.2Å; A483-I590 VanDerWaalsContact CA-O 3.27Å; A483-I590 WeakPolarHBondContact CA-O 3.13Å; A483-I590 WeakPolarHBondContact CB-O 3.46Å; R484-I590 HydrophobicContact CB-CG2 4.19Å; R484-I590 PolarHBondContact N-O 2.02Å; R484-I590 PolarHBondContact O-N 3.13Å; L490-I590 HydrophobicContact CD2-CG2 3.92Å; Y492-I590 HydrophobicContact CE2-CG2 3.91Å; L506-I590 HydrophobicContact CB-CD1 4.39Å; L506-I590 HydrophobicContact CD2-CD1 4.25Å; H507-I590 WeakPolarHBondContact O-CG1 3.37Å; F508-I590 HydrophobicContact CD1-CB 4.23Å; F508-I590 HydrophobicContact CD1-CG1 4.19Å; F508-I590 HydrophobicContact CE1-CB 3.95Å; F508-I590 HydrophobicContact CE1-CD1 4.1Å; F508-I590 HydrophobicContact CE1-CG1 3.87Å; F508-I590 HydrophobicContact CZ-CD1 4.27Å; F508-I590 HydrophobicContact CZ-CG1 4.45Å; L570-I590 HydrophobicContact CD2-CB 4Å; L570-I590 HydrophobicContact CD2-CD1 4.42Å; L570-I590 HydrophobicContact CD2-CG2 4.26Å; I590-I593 HydrophobicContact CD1-CD1 4.04Å; I590-I593 HydrophobicContact CD1-CG1 3.63Å
591	S	97.3	Very high	94.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.			trans	-93.9	-41.2	-176.7	-59.8	0	0	0	0	112.3	N410 C411 H507 M509	N410-S591 PolarHBondContact OD1-O 2.93Å; C411-S591 WeakPolarHBondContact CB-O 3.38Å; C411-S591 PolarHBondContact N-O 2.84Å; H507-S591 PolarHBondContact O-N 2.7Å; M509-S591 PolarHBondContact N-OG 2.71Å
592	A	98	Very high	94.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	160.4	178.6	0	0	0	0	0	113.3	I409 Y427 L479 H507	I409-A592 CarbonylContact O-C 3.54Å; I409-A592 WeakPolarHBondContact O-CA 3.28Å; I409-A592 VanDerWaalsContact O-CB 3.32Å; I409-A592 WeakPolarHBondContact O-CB 3.37Å; Y427-A592 HydrophobicContact CD1-CB 4.01Å; Y427-A592 HydrophobicContact CE1-CB 3.86Å; L479-A592 HydrophobicContact CD1-CB 3.6Å; L479-A592 HydrophobicContact CD2-CB 4Å; L479-A592 HydrophobicContact CG-CB 3.79Å; H507-A592 HydrophobicContact CB-CB 3.83Å; H507-A592 WeakPolarHBondContact CB-O 3.38Å; H507-A592 PolarHBondContact N-O 2.93Å; H507-A592 PolarHBondContact O-N 3.42Å
593	I	98.4	Very high	94.2	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.2	173.9	-64.7	167.7	0	0	0	108.3	H408 I409 Y492 L506 I568 I590 L595	H408-I593 CarbonylContact C-O 3.56Å; H408-I593 WeakPolarHBondContact CA-O 3.41Å; I409-I593 HydrophobicContact CB-CB 4.42Å; I409-I593 HydrophobicContact CD1-CB 4.48Å; I409-I593 PolarHBondContact N-O 3.23Å; I409-I593 PolarHBondContact O-N 3.44Å; Y492-I593 HydrophobicContact CD1-CD1 3.88Å; Y492-I593 HydrophobicContact CD2-CD1 3.5Å; Y492-I593 HydrophobicContact CE1-CD1 4.42Å; Y492-I593 HydrophobicContact CE2-CD1 4.07Å; Y492-I593 HydrophobicContact CG-CD1 3.37Å; L506-I593 HydrophobicContact CD2-CG1 4.06Å; L506-I593 HydrophobicContact CD2-CG2 4.39Å; I568-I593 HydrophobicContact CD1-CD1 4.12Å; I568-I593 HydrophobicContact CD1-CG1 4.46Å; I568-I593 HydrophobicContact CD1-CG2 3.74Å; I590-I593 HydrophobicContact CD1-CD1 4.04Å; I590-I593 HydrophobicContact CD1-CG1 3.63Å; I593-L595 HydrophobicContact CG2-CD2 3.78Å; I593-L595 HydrophobicContact CG2-CG 4.13Å
594	S	97.5	Very high	94.1	Very high	4 Å²	4	19.8 Å²	19.8	3%	0.028	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	126.4	168	-68.7	0	0	0	0	110.4	L407 H408 Y427 V504 K505	L407-S594 CarbonylContact O-C 3.49Å; L407-S594 WeakPolarHBondContact O-CA 3.32Å; H408-S594 WeakPolarHBondContact ND1-CB 3.25Å; H408-S594 PolarHBondContact ND1-OG 3.36Å; Y427-S594 WeakPolarHBondContact CE1-OG 3.38Å; Y427-S594 PolarHBondContact OH-OG 3.45Å; V504-S594 CarbonylContact C-O 3.58Å; V504-S594 WeakPolarHBondContact CA-O 3.4Å; K505-S594 PolarHBondContact N-O 2.91Å; K505-S594 PolarHBondContact O-N 2.85Å
595	L	97.9	Very high	94	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.016	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.6	172.5	-47.7	-176.8	0	0	0	107.5	F406 L407 A494 L497 Y502 V504 L566 I568 I593	F406-L595 CarbonylContact C-O 3.57Å; F406-L595 WeakPolarHBondContact CA-O 3.24Å; L407-L595 HydrophobicContact CB-CB 4.23Å; L407-L595 HydrophobicContact CB-CD1 4.16Å; L407-L595 HydrophobicContact CB-CG 4.29Å; L407-L595 HydrophobicContact CD2-CD1 4.02Å; L407-L595 PolarHBondContact N-O 2.79Å; L407-L595 PolarHBondContact O-N 2.87Å; A494-L595 HydrophobicContact CB-CD1 3.67Å; L497-L595 HydrophobicContact CD1-CD1 4.28Å; Y502-L595 HydrophobicContact CD1-CB 4.09Å; V504-L595 HydrophobicContact CB-CD2 4.2Å; V504-L595 HydrophobicContact CG1-CD2 3.74Å; V504-L595 HydrophobicContact CG2-CD2 3.9Å; L566-L595 HydrophobicContact CB-CD1 4.35Å; L566-L595 HydrophobicContact CD1-CD1 4.4Å; L566-L595 HydrophobicContact CD1-CD2 4.24Å; L566-L595 HydrophobicContact CD2-CD1 4.07Å; L566-L595 HydrophobicContact CD2-CD2 3.86Å; I568-L595 HydrophobicContact CD1-CD2 4.12Å; I593-L595 HydrophobicContact CG2-CD2 3.78Å; I593-L595 HydrophobicContact CG2-CG 4.13Å
596	C	97.2	Very high	93.6	Very high	20 Å²	20	25.2 Å²	25.2	14%	0.135	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	111.9	-179.9	-62.4	0	0	0	0	109.8	Y502 N503 S598 C603	Y502-C596 CarbonylContact C-O 3.58Å; Y502-C596 VanDerWaalsContact CA-O 3.3Å; Y502-C596 WeakPolarHBondContact CA-O 3.41Å; N503-C596 HydrophobicContact CB-CB 4.32Å; N503-C596 PolarHBondContact N-O 2.66Å; N503-C596 PolarHBondContact O-N 3.11Å; C596-S598 PolarHBondContact O-N 3.15Å; C596-C603 WeakPolarHBondContact CA-SG 3.33Å; C596-C603 HydrophobicContact CB-CB 3.69Å; C596-C603 WeakPolarHBondContact CB-SG 3.34Å; C596-C603 WeakPolarHBondContact SG-CB 3.31Å; C596-C603 CovalentContact SG-SG 2.01Å; C596-C603 PolarHBondContact SG-SG 2.84Å
597	H	97.2	Very high	92.5	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.028	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	137.3	173.3	-171.5	-106	0	0	0	109.1	R405 N501 Y502 Q599 E600	R405-H597 HydrophobicContact CB-CB 3.8Å; R405-H597 HydrophobicContact CG-CB 4.22Å; R405-H597 WeakPolarHBondContact O-CA 3.44Å; R405-H597 WeakPolarHBondContact O-CB 3.48Å; R405-H597 PolarHBondContact O-N 2.7Å; N501-H597 WeakPolarHBondContact O-CA 3.23Å; N501-H597 PolarHBondContact O-CD2 2.82Å; Y502-H597 HydrophobicContact CD1-CB 4.06Å; Y502-H597 HydrophobicContact CE1-CB 3.61Å; Y502-H597 HydrophobicContact CE2-CB 4.49Å; Y502-H597 AromaticContact CE2-CD2 3.53Å; Y502-H597 AromaticContact CZ-CD2 3.56Å; H597-Q599 WeakPolarHBondContact ND1-CB 3.48Å; H597-Q599 PolarHBondContact ND1-N 3.19Å; H597-Q599 PolarHBondContact O-N 2.88Å; H597-Q599 VanDerWaalsContact O-N 3.12Å; H597-E600 HydrophobicContact CB-CB 4.22Å; H597-E600 WeakPolarHBondContact O-CA 3.49Å; H597-E600 WeakPolarHBondContact O-CB 3.45Å; H597-E600 PolarHBondContact O-N 3.39Å
598	S	92.6	Very high	90.7	Very high	26 Å²	26	35.4 Å²	35.4	18%	0.182	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.5	-173.3	57.2	0	0	0	0	114.3	N501 C596 S994	N501-S598 WeakPolarHBondContact O-CB 3.23Å; N501-S598 PolarHBondContact O-N 3.3Å; N501-S598 PolarHBondContact O-OG 2.69Å; C596-S598 PolarHBondContact O-N 3.15Å; S598-S994 VanDerWaalsContact C-CB 3.42Å; S598-S994 VanDerWaalsContact CB-CB 3.44Å; S598-S994 WeakPolarHBondContact CB-OG 3.48Å; S598-S994 VanDerWaalsContact O-CB 3.27Å; S598-S994 WeakPolarHBondContact O-CB 3.32Å; S598-S994 WeakPolarHBondContact OG-CB 3.44Å; S598-S994 PolarHBondContact OG-OG 3.07Å
599	Q	90.3	Very high	88.6	Confident	71 Å²	71	44.1 Å²	44.1	33%	0.332	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	6	168.8	-56.5	-176.5	-25.3	0	0	113.6	H597 P601	H597-Q599 WeakPolarHBondContact ND1-CB 3.48Å; H597-Q599 PolarHBondContact ND1-N 3.19Å; H597-Q599 PolarHBondContact O-N 2.88Å; H597-Q599 VanDerWaalsContact O-N 3.12Å; Q599-P601 VanDerWaalsContact O-CD 3.28Å; Q599-P601 WeakPolarHBondContact O-CD 3.19Å
600	E	88.9	Confident	86.4	Confident	49 Å²	49	51.7 Å²	51.7	23%	0.229	26%	0.264	C	S	.	.			trans	-113.4	80.2	178.3	-174.1	58.6	-119.1	0	0	109.3	R405 F406 H597 L602 C603	R405-E600 HydrophobicContact CB-CB 3.95Å; R405-E600 HydrophobicContact CB-CG 4.12Å; F406-E600 HydrophobicContact CD1-CG 4.14Å; H597-E600 HydrophobicContact CB-CB 4.22Å; H597-E600 WeakPolarHBondContact O-CA 3.49Å; H597-E600 WeakPolarHBondContact O-CB 3.45Å; H597-E600 PolarHBondContact O-N 3.39Å; E600-L602 PolarHBondContact O-N 2.8Å; E600-C603 PolarHBondContact O-N 2.93Å
601	P	78.7	Confident	83.8	Confident	120 Å²	120	59.7 Å²	59.7	78%	0.779	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.8	-171.5	26.6	-35.2	0	0	0	113.2	Q599	Q599-P601 VanDerWaalsContact O-CD 3.28Å; Q599-P601 WeakPolarHBondContact O-CD 3.19Å
602	L	87.3	Confident	81.3	Confident	65 Å²	65	64.9 Å²	64.9	34%	0.34	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-11.1	175.6	-69.4	176.1	0	0	0	112.7	E600 G604 V605	E600-L602 PolarHBondContact O-N 2.8Å; L602-G604 VanDerWaalsContact C-N 3.25Å; L602-G604 PolarHBondContact O-N 3.24Å; L602-G604 VanDerWaalsContact O-N 3.11Å; L602-V605 HydrophobicContact CB-CB 4.32Å; L602-V605 WeakPolarHBondContact O-CB 3.09Å; L602-V605 WeakPolarHBondContact O-CG2 3.48Å; L602-V605 PolarHBondContact O-N 2.83Å
603	C	92.4	Very high	78.6	Confident	13 Å²	13	74.2 Å²	74.2	9%	0.088	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	36.7	54.3	-176.1	-168	0	0	0	0	113.5	H408 C596 E600 V605	H408-C603 PolarHBondContact CE1-SG 3.32Å; H408-C603 PolarHBondContact NE2-O 2.89Å; H408-C603 PolarHBondContact NE2-SG 2.9Å; C596-C603 WeakPolarHBondContact CA-SG 3.33Å; C596-C603 HydrophobicContact CB-CB 3.69Å; C596-C603 WeakPolarHBondContact CB-SG 3.34Å; C596-C603 WeakPolarHBondContact SG-CB 3.31Å; C596-C603 CovalentContact SG-SG 2.01Å; C596-C603 PolarHBondContact SG-SG 2.84Å; E600-C603 PolarHBondContact O-N 2.93Å; C603-V605 VanDerWaalsContact C-N 3.3Å; C603-V605 PolarHBondContact O-N 2.91Å
604	G	89.2	Confident	76.1	Confident	18 Å²	18	80.9 Å²	80.9	19%	0.186	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	74	8.1	178.3	0	0	0	0	0	116.7	L602 E606	L602-G604 VanDerWaalsContact C-N 3.25Å; L602-G604 PolarHBondContact O-N 3.24Å; L602-G604 VanDerWaalsContact O-N 3.11Å; G604-E606 PolarHBondContact O-N 3.13Å
605	V	89.9	Confident	73.7	Confident	14 Å²	14	86.3 Å²	86.3	9%	0.085	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-62.4	120.1	175.1	172.1	0	0	0	0	111.2	L422 G423 K424 I425 L602 C603	L422-V605 VanDerWaalsContact C-CG1 3.47Å; L422-V605 HydrophobicContact CB-CG1 4.1Å; L422-V605 HydrophobicContact CB-CG2 4.29Å; L422-V605 WeakPolarHBondContact O-CG1 3.31Å; G423-V605 VanDerWaalsContact CA-CG1 3.43Å; K424-V605 WeakPolarHBondContact O-CA 3.42Å; I425-V605 HydrophobicContact CD1-CG2 3.57Å; I425-V605 HydrophobicContact CG1-CB 4.31Å; I425-V605 HydrophobicContact CG1-CG2 3.38Å; L602-V605 HydrophobicContact CB-CB 4.32Å; L602-V605 WeakPolarHBondContact O-CB 3.09Å; L602-V605 WeakPolarHBondContact O-CG2 3.48Å; L602-V605 PolarHBondContact O-N 2.83Å; C603-V605 VanDerWaalsContact C-N 3.3Å; C603-V605 PolarHBondContact O-N 2.91Å
606	E	84.7	Confident	71.2	Confident	113 Å²	113	94.2 Å²	94.2	53%	0.528	47%	0.471	S	S	.	.	B	Isolated β-bridge	trans	-78.5	119.6	166.4	-66.5	178.6	176.7	0	0	109.4	G423 K424 G604 T608	G423-E606 WeakPolarHBondContact CA-O 3.23Å; K424-E606 HydrophobicContact CB-CB 4.4Å; K424-E606 PolarHBondContact N-O 3.09Å; K424-E606 IonicContact NZ-OE2 3.35Å; K424-E606 PolarHBondContact O-N 2.92Å; G604-E606 PolarHBondContact O-N 3.13Å; E606-T608 PolarHBondContact O-N 3Å
607	K	72.7	Confident	68.9	Low	163 Å²	163	99.2 Å²	99.2	71%	0.709	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-62.3	121	173.3	-70.7	-174.2	179.3	-179.2	0	109.6	K609	K607-K609 PolarHBondContact O-N 3.07Å
608	T	60.5	Low	66.4	Low	58 Å²	58	104.3 Å²	104.3	36%	0.356	52%	0.522	S	S	.	.			trans	-63.1	111	164	34.9	0	0	0	0	108.1	E606 H610	E606-T608 PolarHBondContact O-N 3Å; T608-H610 VanDerWaalsContact C-N 3.34Å; T608-H610 PolarHBondContact O-N 2.95Å
609	K	55	Low	64.1	Low	183 Å²	183	106.7 Å²	106.7	80%	0.796	55%	0.551	S	S	*	*			trans	-57.6	102.4	165.8	-73.4	-177.4	-179.7	177.3	0	107.1	K607 H611	K607-K609 PolarHBondContact O-N 3.07Å; K609-H611 VanDerWaalsContact C-N 3.32Å; K609-H611 PolarHBondContact O-N 3.04Å
610	H	50.6	Low	62.2	Low	158 Å²	158	107.4 Å²	107.4	73%	0.731	57%	0.569	S	S	*	*			trans	-64.9	99.1	167.2	-79.6	-75.9	0	0	0	107.1	T608 I612	T608-H610 VanDerWaalsContact C-N 3.34Å; T608-H610 PolarHBondContact O-N 2.95Å; H610-I612 HydrophobicContact CB-CG1 4.24Å; H610-I612 PolarHBondContact O-N 3.03Å
611	H	43.3	Very low	60.5	Low	169 Å²	169	106.9 Å²	106.9	78%	0.782	57%	0.571	S	S	*	*			trans	-70.3	73.7	161.5	-77	-80.2	0	0	0	107.9	K609 K613	K609-H611 VanDerWaalsContact C-N 3.32Å; K609-H611 PolarHBondContact O-N 3.04Å; H611-K613 PolarHBondContact O-N 3.27Å; H611-K613 VanDerWaalsContact O-N 3.16Å
612	I	44.7	Very low	59.2	Low	108 Å²	108	103 Å²	103	55%	0.554	55%	0.553	S	S	*	*			trans	-64.9	114.5	161.5	-65.6	171.9	0	0	0	105.1	H610 Y614	H610-I612 HydrophobicContact CB-CG1 4.24Å; H610-I612 PolarHBondContact O-N 3.03Å; I612-Y614 VanDerWaalsContact C-N 3.33Å; I612-Y614 HydrophobicContact CB-CD2 3.94Å; I612-Y614 HydrophobicContact CB-CE2 3.82Å; I612-Y614 HydrophobicContact CG2-CD2 3.72Å; I612-Y614 HydrophobicContact CG2-CE2 3.56Å; I612-Y614 WeakPolarHBondContact O-CD2 3.45Å; I612-Y614 PolarHBondContact O-N 2.78Å
613	K	42.2	Very low	58	Low	197 Å²	197	102.9 Å²	102.9	86%	0.857	56%	0.561	S	S	*	*			trans	-64.2	90.5	179.6	-69.6	-178.6	178.5	179.9	0	108.9	H611	H611-K613 PolarHBondContact O-N 3.27Å; H611-K613 VanDerWaalsContact O-N 3.16Å
614	Y	44.9	Very low	56.6	Low	141 Å²	141	108 Å²	108	55%	0.553	59%	0.587	S	S	*	*			trans	-80.5	-9.9	-172.2	-102.4	-80.2	0	0	0	118.5	I612 L616 L618	I612-Y614 VanDerWaalsContact C-N 3.33Å; I612-Y614 HydrophobicContact CB-CD2 3.94Å; I612-Y614 HydrophobicContact CB-CE2 3.82Å; I612-Y614 HydrophobicContact CG2-CD2 3.72Å; I612-Y614 HydrophobicContact CG2-CE2 3.56Å; I612-Y614 WeakPolarHBondContact O-CD2 3.45Å; I612-Y614 PolarHBondContact O-N 2.78Å; Y614-L616 VanDerWaalsContact C-N 3.26Å; Y614-L616 PolarHBondContact O-N 2.68Å; Y614-L618 HydrophobicContact CD1-CD1 4.27Å; Y614-L618 HydrophobicContact CD1-CG 4.31Å
615	P	46.9	Very low	55.6	Low	118 Å²	118	110.8 Å²	110.8	77%	0.766	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	14.3	-163.9	33.4	-33.2	0	0	0	115.6
616	L	45.8	Very low	54.6	Low	168 Å²	168	113.9 Å²	113.9	88%	0.88	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.3	-9	176.6	-89.3	159.7	0	0	0	116.3	Y614	Y614-L616 VanDerWaalsContact C-N 3.26Å; Y614-L616 PolarHBondContact O-N 2.68Å
617	I	49.8	Very low	54	Low	125 Å²	125	114.1 Å²	114.1	64%	0.641	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	-15.4	-179.7	-60	176.8	0	0	0	112.7	G619 S621	I617-G619 VanDerWaalsContact C-N 3.27Å; I617-G619 PolarHBondContact O-N 3Å; I617-S621 PolarHBondContact O-N 3.11Å; I617-S621 PolarHBondContact O-OG 3.25Å
618	L	43.4	Very low	54.1	Low	113 Å²	113	110.1 Å²	110.1	59%	0.592	61%	0.612	S	S	*	*	H	α-helix	trans	-67.9	-18.2	-175.3	-79.4	160.7	0	0	0	115.1	Y614	Y614-L618 HydrophobicContact CD1-CD1 4.27Å; Y614-L618 HydrophobicContact CD1-CG 4.31Å
619	G	45.2	Very low	54.5	Low	77 Å²	77	112.4 Å²	112.4	79%	0.794	62%	0.622	S	S	*	*	H	α-helix	trans	-75.4	-40.9	178.9	0	0	0	0	0	113.9	I617	I617-G619 VanDerWaalsContact C-N 3.27Å; I617-G619 PolarHBondContact O-N 3Å
620	A	50.1	Low	55.5	Low	86 Å²	86	109.5 Å²	109.5	71%	0.711	61%	0.614	S	S	*	*	H	α-helix	trans	-94.5	-29.1	-175.1	0	0	0	0	0	112.9
621	S	53.1	Low	56.6	Low	38 Å²	38	104.8 Å²	104.8	27%	0.266	60%	0.603	S	S	.	*	H	α-helix	trans	-75.8	-23.1	178.5	65	0	0	0	0	113	I617 A623 L624 V625	I617-S621 PolarHBondContact O-N 3.11Å; I617-S621 PolarHBondContact O-OG 3.25Å; S621-A623 VanDerWaalsContact C-N 3.34Å; S621-A623 PolarHBondContact O-N 3.33Å; S621-L624 PolarHBondContact O-N 2.91Å; S621-V625 VanDerWaalsContact O-CB 3.29Å; S621-V625 WeakPolarHBondContact O-CB 3.4Å; S621-V625 WeakPolarHBondContact O-CG2 2.94Å; S621-V625 PolarHBondContact O-N 2.88Å
622	G	52.3	Low	57.8	Low	39 Å²	39	100.3 Å²	100.3	40%	0.402	59%	0.587	S	S	.	*	H	α-helix	trans	-58.8	-41	179.6	0	0	0	0	0	113.6	T626	G622-T626 PolarHBondContact O-N 3.19Å; G622-T626 VanDerWaalsContact O-N 3.15Å; G622-T626 PolarHBondContact O-OG1 2.8Å
623	A	61.3	Low	58.8	Low	62 Å²	62	97 Å²	97	51%	0.512	58%	0.58	S	S	.	*	H	α-helix	trans	-74	-36.2	177.5	0	0	0	0	0	112.5	S621 T626 I627	S621-A623 VanDerWaalsContact C-N 3.34Å; S621-A623 PolarHBondContact O-N 3.33Å; A623-T626 WeakPolarHBondContact CA-OG1 3.22Å; A623-T626 PolarHBondContact O-OG1 3.07Å; A623-I627 VanDerWaalsContact O-CG1 3.32Å; A623-I627 WeakPolarHBondContact O-CG1 3.45Å; A623-I627 PolarHBondContact O-N 2.86Å
624	L	63.1	Low	60	Low	120 Å²	120	94.1 Å²	94.1	63%	0.628	57%	0.572	S	S	*	*	H	α-helix	trans	-69.7	-37.9	176.6	-164.1	73.9	0	0	0	111	S621 I627 V628	S621-L624 PolarHBondContact O-N 2.91Å; L624-I627 PolarHBondContact O-N 3.05Å; L624-V628 WeakPolarHBondContact O-CB 2.94Å; L624-V628 WeakPolarHBondContact O-CG2 3.32Å; L624-V628 PolarHBondContact O-N 2.52Å
625	V	68.8	Low	60.8	Low	76 Å²	76	95.2 Å²	95.2	46%	0.461	58%	0.577	S	S	.	*	H	α-helix	trans	-67.9	-40.4	177.9	169.8	0	0	0	0	111.2	S621 V628 L629	S621-V625 VanDerWaalsContact O-CB 3.29Å; S621-V625 WeakPolarHBondContact O-CB 3.4Å; S621-V625 WeakPolarHBondContact O-CG2 2.94Å; S621-V625 PolarHBondContact O-N 2.88Å; V625-V628 PolarHBondContact O-N 3.03Å; V625-L629 HydrophobicContact CG1-CD1 3.68Å; V625-L629 HydrophobicContact CG1-CG 4.15Å; V625-L629 VanDerWaalsContact O-CB 3.26Å; V625-L629 WeakPolarHBondContact O-CB 3.37Å; V625-L629 WeakPolarHBondContact O-CG 3.42Å; V625-L629 PolarHBondContact O-N 2.8Å
626	T	68	Low	61.1	Low	80 Å²	80	91.6 Å²	91.6	49%	0.491	56%	0.557	S	S	.	*	H	α-helix	trans	-65.9	-38.9	174.9	25	0	0	0	0	112.7	G622 A623 L629 L630	G622-T626 PolarHBondContact O-N 3.19Å; G622-T626 VanDerWaalsContact O-N 3.15Å; G622-T626 PolarHBondContact O-OG1 2.8Å; A623-T626 WeakPolarHBondContact CA-OG1 3.22Å; A623-T626 PolarHBondContact O-OG1 3.07Å; T626-L629 PolarHBondContact O-N 2.67Å; T626-L630 WeakPolarHBondContact O-CB 3.39Å; T626-L630 WeakPolarHBondContact O-CG 3.34Å; T626-L630 PolarHBondContact O-N 3.06Å
627	I	73.3	Confident	61.2	Low	117 Å²	117	94 Å²	94	60%	0.6	55%	0.554	S	S	*	*	H	α-helix	trans	-66.6	-42.9	176.1	-66.7	169	0	0	0	110.7	A623 L624 L630 A631	A623-I627 VanDerWaalsContact O-CG1 3.32Å; A623-I627 WeakPolarHBondContact O-CG1 3.45Å; A623-I627 PolarHBondContact O-N 2.86Å; L624-I627 PolarHBondContact O-N 3.05Å; I627-L630 PolarHBondContact O-N 2.81Å; I627-A631 WeakPolarHBondContact O-CB 3.2Å; I627-A631 PolarHBondContact O-N 2.72Å
628	V	74.4	Confident	61.1	Low	79 Å²	79	90.6 Å²	90.6	48%	0.479	55%	0.549	S	S	.	.	H	α-helix	trans	-65.3	-40.1	175.5	171.8	0	0	0	0	111.1	L624 V625 L630 A631 V632	L624-V628 WeakPolarHBondContact O-CB 2.94Å; L624-V628 WeakPolarHBondContact O-CG2 3.32Å; L624-V628 PolarHBondContact O-N 2.52Å; V625-V628 PolarHBondContact O-N 3.03Å; V628-L630 PolarHBondContact O-N 3.37Å; V628-A631 PolarHBondContact O-N 3.3Å; V628-V632 HydrophobicContact CG1-CG2 4.05Å; V628-V632 VanDerWaalsContact O-CB 3.25Å; V628-V632 WeakPolarHBondContact O-CB 3.45Å; V628-V632 WeakPolarHBondContact O-CG2 3.45Å; V628-V632 PolarHBondContact O-N 3.06Å
629	L	69.4	Low	61.6	Low	107 Å²	107	87.9 Å²	87.9	56%	0.56	54%	0.535	S	S	*	.	H	α-helix	trans	-67.7	-33.5	177.4	-74.1	171.5	0	0	0	112.7	V625 T626 G633	V625-L629 HydrophobicContact CG1-CD1 3.68Å; V625-L629 HydrophobicContact CG1-CG 4.15Å; V625-L629 VanDerWaalsContact O-CB 3.26Å; V625-L629 WeakPolarHBondContact O-CB 3.37Å; V625-L629 WeakPolarHBondContact O-CG 3.42Å; V625-L629 PolarHBondContact O-N 2.8Å; T626-L629 PolarHBondContact O-N 2.67Å; L629-G633 WeakPolarHBondContact O-CA 3.29Å; L629-G633 PolarHBondContact O-N 2.85Å
630	L	74.8	Confident	61.5	Low	121 Å²	121	93.8 Å²	93.8	63%	0.634	54%	0.535	S	S	*	.	H	α-helix	trans	-70.3	-42.8	172.6	-75.9	168.2	0	0	0	111.5	T626 I627 V628 G633 I634	T626-L630 WeakPolarHBondContact O-CB 3.39Å; T626-L630 WeakPolarHBondContact O-CG 3.34Å; T626-L630 PolarHBondContact O-N 3.06Å; I627-L630 PolarHBondContact O-N 2.81Å; V628-L630 PolarHBondContact O-N 3.37Å; L630-G633 PolarHBondContact O-N 3.35Å; L630-I634 WeakPolarHBondContact O-CG1 3.18Å; L630-I634 PolarHBondContact O-N 3.11Å
631	A	73	Confident	61.3	Low	60 Å²	60	101.4 Å²	101.4	50%	0.496	55%	0.545	S	S	.	.	H	α-helix	trans	-64	-42.1	174.7	0	0	0	0	0	111.8	I627 V628 I634 Y635	I627-A631 WeakPolarHBondContact O-CB 3.2Å; I627-A631 PolarHBondContact O-N 2.72Å; V628-A631 PolarHBondContact O-N 3.3Å; A631-I634 PolarHBondContact O-N 3.09Å; A631-Y635 VanDerWaalsContact O-CB 3.23Å; A631-Y635 WeakPolarHBondContact O-CB 3.47Å; A631-Y635 PolarHBondContact O-N 3Å
632	V	70.2	Confident	61	Low	74 Å²	74	108.4 Å²	108.4	45%	0.448	57%	0.565	S	S	.	*	H	α-helix	trans	-68.3	-34.4	174.1	171.7	0	0	0	0	110.9	V628 Y635 A636	V628-V632 HydrophobicContact CG1-CG2 4.05Å; V628-V632 VanDerWaalsContact O-CB 3.25Å; V628-V632 WeakPolarHBondContact O-CB 3.45Å; V628-V632 WeakPolarHBondContact O-CG2 3.45Å; V628-V632 PolarHBondContact O-N 3.06Å; V632-Y635 PolarHBondContact O-N 3.15Å; V632-A636 WeakPolarHBondContact O-CA 3.32Å; V632-A636 WeakPolarHBondContact O-CB 3.41Å; V632-A636 PolarHBondContact O-N 2.83Å
633	G	65.7	Low	60.6	Low	40 Å²	40	110.3 Å²	110.3	41%	0.412	57%	0.566	S	S	.	*	H	α-helix	trans	-65.8	-40.6	174.7	0	0	0	0	0	112.5	L629 L630 R637	L629-G633 WeakPolarHBondContact O-CA 3.29Å; L629-G633 PolarHBondContact O-N 2.85Å; L630-G633 PolarHBondContact O-N 3.35Å; G633-R637 WeakPolarHBondContact O-CB 3.21Å; G633-R637 PolarHBondContact O-N 3.13Å
634	I	67.4	Low	59.6	Low	135 Å²	135	114.8 Å²	114.8	69%	0.692	58%	0.582	S	S	*	*	H	α-helix	trans	-69.6	-41.4	174.6	-65.1	167.9	0	0	0	110.4	L630 A631 R637 G638	L630-I634 WeakPolarHBondContact O-CG1 3.18Å; L630-I634 PolarHBondContact O-N 3.11Å; A631-I634 PolarHBondContact O-N 3.09Å; I634-R637 PolarHBondContact O-N 2.83Å; I634-G638 PolarHBondContact O-N 3.28Å
635	Y	59.9	Low	58.8	Low	164 Å²	164	113.1 Å²	113.1	64%	0.643	57%	0.574	S	S	*	*	H	α-helix	trans	-69.5	-39	177	-171.9	-109.7	0	0	0	112.9	A631 V632 R637 G638 I639	A631-Y635 VanDerWaalsContact O-CB 3.23Å; A631-Y635 WeakPolarHBondContact O-CB 3.47Å; A631-Y635 PolarHBondContact O-N 3Å; V632-Y635 PolarHBondContact O-N 3.15Å; Y635-R637 VanDerWaalsContact C-N 3.33Å; Y635-G638 CarbonylContact O-C 3.55Å; Y635-G638 VanDerWaalsContact O-CA 3.28Å; Y635-G638 WeakPolarHBondContact O-CA 3.29Å; Y635-G638 PolarHBondContact O-N 3.39Å; Y635-I639 HydrophobicContact CD1-CD1 3.75Å; Y635-I639 HydrophobicContact CD1-CG1 4.33Å; Y635-I639 HydrophobicContact CE1-CD1 3.11Å; Y635-I639 HydrophobicContact CE1-CG1 4.06Å; Y635-I639 HydrophobicContact CE2-CD1 4.27Å; Y635-I639 VanDerWaalsContact CZ-CD1 3.41Å; Y635-I639 PolarHBondContact O-N 2.99Å
636	A	53.7	Low	57.5	Low	42 Å²	42	117.9 Å²	117.9	35%	0.347	58%	0.583	S	S	.	*	H	α-helix	trans	-69.5	-31	176.1	0	0	0	0	0	111.2	V632 G638 I639 Y640	V632-A636 WeakPolarHBondContact O-CA 3.32Å; V632-A636 WeakPolarHBondContact O-CB 3.41Å; V632-A636 PolarHBondContact O-N 2.83Å; A636-G638 PolarHBondContact O-N 2.89Å; A636-I639 CarbonylContact O-C 3.58Å; A636-I639 PolarHBondContact O-N 2.85Å; A636-Y640 WeakPolarHBondContact O-CB 3.27Å; A636-Y640 PolarHBondContact O-N 2.86Å
637	R	48	Very low	56.4	Low	220 Å²	220	124.9 Å²	124.9	83%	0.83	60%	0.601	S	S	*	*	H	α-helix	trans	-67.2	-28.6	168.3	-154	172.5	-172.4	170.6	1.6	111.9	G633 I634 Y635	G633-R637 WeakPolarHBondContact O-CB 3.21Å; G633-R637 PolarHBondContact O-N 3.13Å; I634-R637 PolarHBondContact O-N 2.83Å; Y635-R637 VanDerWaalsContact C-N 3.33Å
638	G	47.6	Very low	54.9	Low	52 Å²	52	123.3 Å²	123.3	54%	0.536	59%	0.591	S	S	.	*	H	α-helix	trans	-73.7	-33.6	167.9	0	0	0	0	0	114.4	I634 Y635 A636	I634-G638 PolarHBondContact O-N 3.28Å; Y635-G638 CarbonylContact O-C 3.55Å; Y635-G638 VanDerWaalsContact O-CA 3.28Å; Y635-G638 WeakPolarHBondContact O-CA 3.29Å; Y635-G638 PolarHBondContact O-N 3.39Å; A636-G638 PolarHBondContact O-N 2.89Å
639	I	54.8	Low	53.3	Low	57 Å²	57	126.7 Å²	126.7	29%	0.292	60%	0.595	S	S	.	*	H	α-helix	trans	-93.8	-16.6	-177.2	-69.2	-168.6	0	0	0	114.1	Y635 A636 R641 R642 D643	Y635-I639 HydrophobicContact CD1-CD1 3.75Å; Y635-I639 HydrophobicContact CD1-CG1 4.33Å; Y635-I639 HydrophobicContact CE1-CD1 3.11Å; Y635-I639 HydrophobicContact CE1-CG1 4.06Å; Y635-I639 HydrophobicContact CE2-CD1 4.27Å; Y635-I639 VanDerWaalsContact CZ-CD1 3.41Å; Y635-I639 PolarHBondContact O-N 2.99Å; A636-I639 CarbonylContact O-C 3.58Å; A636-I639 PolarHBondContact O-N 2.85Å; I639-R641 PolarHBondContact O-N 2.89Å; I639-R641 VanDerWaalsContact O-N 3.14Å; I639-R642 CarbonylContact O-C 3.56Å; I639-R642 VanDerWaalsContact O-CA 3.28Å; I639-R642 WeakPolarHBondContact O-CA 3.4Å; I639-R642 WeakPolarHBondContact O-CB 3.28Å; I639-R642 PolarHBondContact O-N 2.91Å; I639-D643 PolarHBondContact O-N 3.18Å
640	Y	43	Very low	52.2	Low	201 Å²	201	127 Å²	127	79%	0.788	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-18.4	171.2	-134.5	-97.1	0	0	0	111.8	A636 R642	A636-Y640 WeakPolarHBondContact O-CB 3.27Å; A636-Y640 PolarHBondContact O-N 2.86Å; Y640-R642 VanDerWaalsContact C-N 3.27Å
641	R	45.2	Very low	50.7	Low	246 Å²	246	125.5 Å²	125.5	93%	0.928	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-6.4	165.2	-100.2	-177.2	144.4	171.4	-5.6	114.5	I639	I639-R641 PolarHBondContact O-N 2.89Å; I639-R641 VanDerWaalsContact O-N 3.14Å
642	R	47	Very low	49.2	Very low	184 Å²	184	131 Å²	131	69%	0.694	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.5	-9.5	-173.3	-155.9	166.2	-173.8	155.7	1.7	114.6	I639 Y640 N644	I639-R642 CarbonylContact O-C 3.56Å; I639-R642 VanDerWaalsContact O-CA 3.28Å; I639-R642 WeakPolarHBondContact O-CA 3.4Å; I639-R642 WeakPolarHBondContact O-CB 3.28Å; I639-R642 PolarHBondContact O-N 2.91Å; Y640-R642 VanDerWaalsContact C-N 3.27Å; R642-N644 PolarHBondContact O-N 2.85Å
643	D	44.7	Very low	48	Very low	79 Å²	79	131.3 Å²	131.3	42%	0.422	61%	0.608	S	S	.	*	G	3₁₀ helix	trans	-82.6	-7.3	-172	-154	36.3	0	0	0	115	I639 N645 R646	I639-D643 PolarHBondContact O-N 3.18Å; D643-N645 PolarHBondContact O-N 2.91Å; D643-N645 VanDerWaalsContact O-N 3.13Å; D643-R646 PolarHBondContact O-N 2.85Å
644	N	40.5	Very low	46.8	Very low	157 Å²	157	136 Å²	136	84%	0.84	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-67.8	-10.7	172.9	-128.9	28.9	0	0	0	113.2	R642	R642-N644 PolarHBondContact O-N 2.85Å
645	N	44.9	Very low	45.3	Very low	85 Å²	85	132.2 Å²	132.2	46%	0.455	61%	0.613	S	S	.	*	G	3₁₀ helix	trans	-102.2	3.7	-176.8	-71.3	12.7	0	0	0	114.5	D643 R649	D643-N645 PolarHBondContact O-N 2.91Å; D643-N645 VanDerWaalsContact O-N 3.13Å; N645-R649 VanDerWaalsContact O-CG 3.32Å; N645-R649 WeakPolarHBondContact O-CG 3.46Å; N645-R649 PolarHBondContact O-N 2.99Å
646	R	42.3	Very low	44.4	Very low	176 Å²	176	126 Å²	126	66%	0.664	59%	0.591	S	S	*	*	H	α-helix	trans	-83.6	-39.4	-175.5	-142.7	175.1	-173.2	179.8	0.5	113.4	D643 E648 R649 D650	D643-R646 PolarHBondContact O-N 2.85Å; R646-E648 VanDerWaalsContact C-N 3.33Å; R646-E648 PolarHBondContact O-N 2.8Å; R646-R649 PolarHBondContact O-N 3Å; R646-D650 PolarHBondContact O-N 3.42Å
647	R	44.5	Very low	43.9	Very low	227 Å²	227	133.5 Å²	133.5	86%	0.857	62%	0.619	S	S	*	*	H	α-helix	trans	-68.9	-28.9	175	-89.1	-178.9	172.1	177.1	-3.7	113.7	R649	R647-R649 VanDerWaalsContact C-N 3.35Å
648	E	42	Very low	44.3	Very low	84 Å²	84	124.6 Å²	124.6	39%	0.393	59%	0.589	S	S	.	*	H	α-helix	trans	-73.4	-29.1	173.5	-159.5	-175.4	174.4	0	0	111.9	R646 R652	R646-E648 VanDerWaalsContact C-N 3.33Å; R646-E648 PolarHBondContact O-N 2.8Å; E648-R652 WeakPolarHBondContact O-CG 3.42Å; E648-R652 PolarHBondContact O-N 2.78Å; E648-R652 VanDerWaalsContact O-N 3.13Å; E648-R652 IonicContact OE1-CZ 3.22Å; E648-R652 IonicContact OE1-NE 2.82Å; E648-R652 IonicContact OE1-NH2 3.04Å; E648-R652 PolarHBondContact OE1-NH2 2.84Å
649	R	41.4	Very low	45.4	Very low	150 Å²	150	126 Å²	126	57%	0.566	59%	0.587	S	S	*	*	H	α-helix	trans	-75	-34	179	-82.9	177.4	-175.4	177.2	-1.7	113.9	N645 R646 R647 L651 R652 A653	N645-R649 VanDerWaalsContact O-CG 3.32Å; N645-R649 WeakPolarHBondContact O-CG 3.46Å; N645-R649 PolarHBondContact O-N 2.99Å; R646-R649 PolarHBondContact O-N 3Å; R647-R649 VanDerWaalsContact C-N 3.35Å; R649-L651 VanDerWaalsContact C-N 3.31Å; R649-L651 PolarHBondContact O-N 2.91Å; R649-R652 CarbonylContact O-C 3.55Å; R649-R652 PolarHBondContact O-N 3.16Å; R649-A653 WeakPolarHBondContact O-CA 3.08Å; R649-A653 WeakPolarHBondContact O-CB 3.35Å; R649-A653 PolarHBondContact O-N 2.96Å
650	D	46.3	Very low	46.5	Very low	114 Å²	114	126.3 Å²	126.3	61%	0.61	59%	0.594	S	S	*	*	H	α-helix	trans	-71.1	-29.3	179.4	-70.8	-16.5	0	0	0	112.1	R646	R646-D650 PolarHBondContact O-N 3.42Å
651	L	42.3	Very low	48.5	Very low	88 Å²	88	117.8 Å²	117.8	46%	0.461	56%	0.561	S	S	.	*	H	α-helix	trans	-75.6	-38.4	170.2	-75.2	163.9	0	0	0	112.1	R649 A653 Q654	R649-L651 VanDerWaalsContact C-N 3.31Å; R649-L651 PolarHBondContact O-N 2.91Å; L651-A653 VanDerWaalsContact C-N 3.32Å; L651-Q654 PolarHBondContact O-N 3.1Å
652	R	41.1	Very low	50.4	Low	176 Å²	176	107.6 Å²	107.6	66%	0.664	53%	0.527	S	S	*	.	H	α-helix	trans	-70.3	-25.9	172.2	-71.6	-178.1	-172.2	-158	4.8	113.3	E648 R649 Q654 G655	E648-R652 WeakPolarHBondContact O-CG 3.42Å; E648-R652 PolarHBondContact O-N 2.78Å; E648-R652 VanDerWaalsContact O-N 3.13Å; E648-R652 IonicContact OE1-CZ 3.22Å; E648-R652 IonicContact OE1-NE 2.82Å; E648-R652 IonicContact OE1-NH2 3.04Å; E648-R652 PolarHBondContact OE1-NH2 2.84Å; R649-R652 CarbonylContact O-C 3.55Å; R649-R652 PolarHBondContact O-N 3.16Å; R652-Q654 PolarHBondContact O-N 2.85Å; R652-G655 PolarHBondContact O-N 3.26Å
653	A	45.6	Very low	52.3	Low	81 Å²	81	100.7 Å²	100.7	67%	0.669	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.4	178	0	0	0	0	0	112.8	R649 L651	R649-A653 WeakPolarHBondContact O-CA 3.08Å; R649-A653 WeakPolarHBondContact O-CB 3.35Å; R649-A653 PolarHBondContact O-N 2.96Å; L651-A653 VanDerWaalsContact C-N 3.32Å
654	Q	40.1	Very low	54.2	Low	138 Å²	138	105.6 Å²	105.6	65%	0.645	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	15.5	175.8	-71.2	-175.8	-10.4	0	0	114	L651 R652 L656	L651-Q654 PolarHBondContact O-N 3.1Å; R652-Q654 PolarHBondContact O-N 2.85Å; Q654-L656 PolarHBondContact O-N 3.09Å
655	G	36.4	Very low	56.5	Low	56 Å²	56	102.8 Å²	102.8	58%	0.577	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	2.5	164	0	0	0	0	0	116.7	R652	R652-G655 PolarHBondContact O-N 3.26Å
656	L	41.8	Very low	58.7	Low	33 Å²	33	98.8 Å²	98.8	17%	0.173	47%	0.474	C	S	.	.			trans	-84	116	175	-81.7	130	0	0	0	109.9	Q654 T658 L1001	Q654-L656 PolarHBondContact O-N 3.09Å; L656-T658 HydrophobicContact CB-CG2 3.95Å; L656-T658 HydrophobicContact CD2-CG2 4.19Å; L656-T658 PolarHBondContact O-N 2.87Å; L656-T658 PolarHBondContact O-OG1 2.91Å; L656-L1001 HydrophobicContact CD1-CD1 4.21Å
657	Q	42.2	Very low	61	Low	200 Å²	200	93.2 Å²	93.2	94%	0.935	46%	0.456	S	S	*	.			trans	-69.9	56.6	168.9	-161.5	167.5	4.1	0	0	110.3
658	T	56.3	Low	63.2	Low	32 Å²	32	87.9 Å²	87.9	20%	0.196	45%	0.449	C	S	.	.			trans	-87.7	127.9	-179.9	37.5	0	0	0	0	109.4	L656 C660 I721	L656-T658 HydrophobicContact CB-CG2 3.95Å; L656-T658 HydrophobicContact CD2-CG2 4.19Å; L656-T658 PolarHBondContact O-N 2.87Å; L656-T658 PolarHBondContact O-OG1 2.91Å; T658-C660 PolarHBondContact O-N 3.32Å; T658-C660 VanDerWaalsContact O-N 3.09Å; T658-I721 HydrophobicContact CG2-CB 4.37Å; T658-I721 HydrophobicContact CG2-CD1 3.66Å; T658-I721 HydrophobicContact CG2-CG2 4.09Å
659	V	71.6	Confident	65.5	Low	81 Å²	81	84.5 Å²	84.5	49%	0.491	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	102.5	171	-177.4	0	0	0	0	107.5	F661 Y733 G734 C735	V659-F661 HydrophobicContact CB-CE2 4.23Å; V659-F661 HydrophobicContact CG1-CD2 4.24Å; V659-F661 HydrophobicContact CG1-CE1 4.22Å; V659-F661 HydrophobicContact CG1-CE2 3.78Å; V659-F661 HydrophobicContact CG1-CZ 3.77Å; V659-F661 PolarHBondContact O-N 2.95Å; V659-Y733 WeakPolarHBondContact CB-O 3.38Å; V659-G734 VanDerWaalsContact O-CA 3.27Å; V659-G734 WeakPolarHBondContact O-CA 3.12Å; V659-C735 PolarHBondContact O-N 3.1Å
660	C	77.3	Confident	67.9	Low	65 Å²	65	77.4 Å²	77.4	44%	0.439	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	113.7	171.1	-74	0	0	0	0	109.4	T658 C735	T658-C660 PolarHBondContact O-N 3.32Å; T658-C660 VanDerWaalsContact O-N 3.09Å; C660-C735 WeakPolarHBondContact CA-O 3.46Å
661	F	85.6	Confident	70	Confident	21 Å²	21	76.2 Å²	76.2	9%	0.092	40%	0.402	C	S	.	.			trans	-84	141.3	170.6	-63.6	-90	0	0	0	109.7	V659 L666 L692 C735 C736 V745	V659-F661 HydrophobicContact CB-CE2 4.23Å; V659-F661 HydrophobicContact CG1-CD2 4.24Å; V659-F661 HydrophobicContact CG1-CE1 4.22Å; V659-F661 HydrophobicContact CG1-CE2 3.78Å; V659-F661 HydrophobicContact CG1-CZ 3.77Å; V659-F661 PolarHBondContact O-N 2.95Å; F661-L666 HydrophobicContact CB-CD1 4Å; F661-L666 HydrophobicContact CB-CD2 3.91Å; F661-L666 HydrophobicContact CB-CG 3.81Å; F661-L666 HydrophobicContact CD1-CD2 4.11Å; F661-L666 HydrophobicContact CG-CD2 3.98Å; F661-L666 HydrophobicContact CG-CG 4.43Å; F661-L692 HydrophobicContact CD1-CD2 4.1Å; F661-L692 HydrophobicContact CE1-CD1 3.74Å; F661-L692 HydrophobicContact CE1-CD2 3.72Å; F661-L692 HydrophobicContact CE1-CG 4.42Å; F661-L692 HydrophobicContact CZ-CD1 4.12Å; F661-C735 PolarHBondContact N-O 2.81Å; F661-C736 HydrophobicContact CB-CB 4.42Å; F661-C736 WeakPolarHBondContact O-CA 3.43Å; F661-C736 WeakPolarHBondContact O-CB 3.48Å; F661-C736 PolarHBondContact O-SG 3.45Å; F661-V745 HydrophobicContact CD2-CB 4.06Å; F661-V745 HydrophobicContact CD2-CG1 4.41Å; F661-V745 HydrophobicContact CD2-CG2 3.62Å; F661-V745 HydrophobicContact CE2-CB 3.78Å; F661-V745 HydrophobicContact CE2-CG1 3.86Å; F661-V745 HydrophobicContact CE2-CG2 3.89Å; F661-V745 HydrophobicContact CG-CG2 4.25Å; F661-V745 HydrophobicContact CZ-CB 4.49Å; F661-V745 HydrophobicContact CZ-CG1 4.07Å
662	S	85.3	Confident	72.3	Confident	33 Å²	33	76.9 Å²	76.9	23%	0.231	41%	0.406	C	S	.	.			trans	-76.5	153.9	170.1	65.3	0	0	0	0	111.1	R664 Q665 L666 E738	S662-R664 PolarHBondContact O-N 3.36Å; S662-Q665 PolarHBondContact O-N 3.27Å; S662-Q665 VanDerWaalsContact O-N 3.1Å; S662-Q665 WeakPolarHBondContact OG-CB 3.22Å; S662-Q665 VanDerWaalsContact OG-CD 3.29Å; S662-Q665 VanDerWaalsContact OG-CG 3.24Å; S662-Q665 WeakPolarHBondContact OG-CG 3.18Å; S662-Q665 PolarHBondContact OG-N 3.06Å; S662-Q665 PolarHBondContact OG-OE1 3.14Å; S662-L666 PolarHBondContact O-N 3.2Å; S662-E738 WeakPolarHBondContact CA-OE1 3.28Å
663	W	85.2	Confident	74.6	Confident	39 Å²	39	69.9 Å²	69.9	15%	0.148	38%	0.38	C	S	.	.	H	α-helix	trans	-56.1	-41.1	177	166.9	-100.5	0	0	0	111.3	Q665 L666 Q667 F673 C736 E738 Q741 L743	W663-Q665 PolarHBondContact O-N 3.23Å; W663-L666 PolarHBondContact O-N 2.81Å; W663-Q667 WeakPolarHBondContact O-CB 3.15Å; W663-Q667 PolarHBondContact O-N 2.9Å; W663-F673 HydrophobicContact CE3-CE2 4.36Å; W663-F673 HydrophobicContact CE3-CZ 4.44Å; W663-F673 HydrophobicContact CH2-CD2 4.03Å; W663-F673 AromaticContact CH2-CE2 3.28Å; W663-F673 HydrophobicContact CH2-CE2 3.28Å; W663-F673 AromaticContact CH2-CZ 3.94Å; W663-F673 HydrophobicContact CH2-CZ 3.94Å; W663-F673 AromaticContact CZ2-CE2 3.95Å; W663-F673 HydrophobicContact CZ2-CE2 3.95Å; W663-F673 AromaticContact CZ3-CE2 3.51Å; W663-F673 HydrophobicContact CZ3-CE2 3.51Å; W663-F673 AromaticContact CZ3-CZ 3.68Å; W663-F673 HydrophobicContact CZ3-CZ 3.68Å; W663-C736 PolarHBondContact N-SG 3.24Å; W663-C736 VanDerWaalsContact N-SG 3.39Å; W663-E738 HydrophobicContact CB-CB 3.91Å; W663-E738 WeakPolarHBondContact CB-OE2 3.32Å; W663-E738 PolarHBondContact N-OE2 2.98Å; W663-Q741 HydrophobicContact CE3-CB 3.99Å; W663-Q741 HydrophobicContact CE3-CG 3.79Å; W663-Q741 HydrophobicContact CH2-CG 4.11Å; W663-Q741 HydrophobicContact CZ3-CB 3.95Å; W663-Q741 HydrophobicContact CZ3-CG 3.56Å; W663-L743 HydrophobicContact CE3-CD1 3.74Å; W663-L743 HydrophobicContact CZ3-CD1 3.83Å
664	R	85.8	Confident	76.5	Confident	182 Å²	182	69 Å²	69	69%	0.687	36%	0.364	S	S	*	.	H	α-helix	trans	-63	-39.7	178.7	-73.4	-176.6	179.7	145	-2.6	112.8	S662 Q667 T668	S662-R664 PolarHBondContact O-N 3.36Å; R664-Q667 PolarHBondContact O-N 3.27Å; R664-T668 WeakPolarHBondContact O-CB 3.42Å; R664-T668 PolarHBondContact O-N 2.91Å; R664-T668 PolarHBondContact O-OG1 3.24Å; R664-T668 VanDerWaalsContact O-OG1 3.04Å
665	Q	89	Confident	78.7	Confident	98 Å²	98	68.4 Å²	68.4	46%	0.458	36%	0.362	S	S	.	.	H	α-helix	trans	-62	-47.6	178	-79.5	164.9	-43.7	0	0	111	S662 W663 T668 A669	S662-Q665 PolarHBondContact O-N 3.27Å; S662-Q665 VanDerWaalsContact O-N 3.1Å; S662-Q665 WeakPolarHBondContact OG-CB 3.22Å; S662-Q665 VanDerWaalsContact OG-CD 3.29Å; S662-Q665 VanDerWaalsContact OG-CG 3.24Å; S662-Q665 WeakPolarHBondContact OG-CG 3.18Å; S662-Q665 PolarHBondContact OG-N 3.06Å; S662-Q665 PolarHBondContact OG-OE1 3.14Å; W663-Q665 PolarHBondContact O-N 3.23Å; Q665-T668 PolarHBondContact O-N 2.91Å; Q665-A669 VanDerWaalsContact O-CB 3.28Å; Q665-A669 WeakPolarHBondContact O-CB 3.18Å; Q665-A669 PolarHBondContact O-N 3.45Å
666	L	91.3	Very high	81	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-71.6	-35.3	179.6	-61.3	-176.8	0	0	0	112.6	F661 S662 W663 T668 A669 T670 I698 V700 C736 L743 V745	F661-L666 HydrophobicContact CB-CD1 4Å; F661-L666 HydrophobicContact CB-CD2 3.91Å; F661-L666 HydrophobicContact CB-CG 3.81Å; F661-L666 HydrophobicContact CD1-CD2 4.11Å; F661-L666 HydrophobicContact CG-CD2 3.98Å; F661-L666 HydrophobicContact CG-CG 4.43Å; S662-L666 PolarHBondContact O-N 3.2Å; W663-L666 PolarHBondContact O-N 2.81Å; L666-T668 VanDerWaalsContact C-N 3.35Å; L666-A669 PolarHBondContact O-N 3.19Å; L666-T670 WeakPolarHBondContact O-CB 3.19Å; L666-T670 WeakPolarHBondContact O-CG2 3.48Å; L666-T670 PolarHBondContact O-N 3.24Å; L666-T670 PolarHBondContact O-OG1 2.84Å; L666-I698 HydrophobicContact CD2-CD1 3.98Å; L666-V700 HydrophobicContact CD1-CG1 4.23Å; L666-V700 HydrophobicContact CD2-CG2 4.22Å; L666-C736 HydrophobicContact CD1-CB 3.48Å; L666-C736 VanDerWaalsContact CD1-CB 3.48Å; L666-L743 HydrophobicContact CD1-CB 4.01Å; L666-L743 HydrophobicContact CD1-CD1 4.19Å; L666-V745 HydrophobicContact CD1-CG2 3.78Å; L666-V745 HydrophobicContact CD2-CG2 3.73Å; L666-V745 HydrophobicContact CG-CG2 4.42Å
667	Q	89	Confident	83.2	Confident	60 Å²	60	70.6 Å²	70.6	28%	0.28	37%	0.372	S	S	.	.	H	α-helix	trans	-61.6	-43.5	173.6	-173.8	178	3.3	0	0	110.9	W663 R664 N671 N672 F673	W663-Q667 WeakPolarHBondContact O-CB 3.15Å; W663-Q667 PolarHBondContact O-N 2.9Å; R664-Q667 PolarHBondContact O-N 3.27Å; Q667-N671 PolarHBondContact O-N 3.05Å; Q667-N672 HydrophobicContact CG-CB 4.49Å; Q667-N672 WeakPolarHBondContact CG-OD1 3.38Å; Q667-N672 PolarHBondContact NE2-OD1 3.33Å; Q667-N672 WeakPolarHBondContact O-CA 3.28Å; Q667-N672 PolarHBondContact O-N 3.08Å; Q667-F673 HydrophobicContact CB-CE2 4.38Å
668	T	91	Very high	85.4	Confident	115 Å²	115	63.3 Å²	63.3	71%	0.706	34%	0.338	S	S	*	.	H	α-helix	trans	-67.1	-47.2	174	-59.5	0	0	0	0	111.4	R664 Q665 L666 T670 N671	R664-T668 WeakPolarHBondContact O-CB 3.42Å; R664-T668 PolarHBondContact O-N 2.91Å; R664-T668 PolarHBondContact O-OG1 3.24Å; R664-T668 VanDerWaalsContact O-OG1 3.04Å; Q665-T668 PolarHBondContact O-N 2.91Å; L666-T668 VanDerWaalsContact C-N 3.35Å; T668-T670 VanDerWaalsContact C-N 3.25Å; T668-T670 PolarHBondContact O-N 3.13Å; T668-N671 PolarHBondContact O-N 3.09Å; T668-N671 VanDerWaalsContact O-N 3.13Å
669	A	91.8	Very high	86.8	Confident	13 Å²	13	64.4 Å²	64.4	11%	0.107	34%	0.342	C	S	.	.	H	α-helix	trans	-60.2	-34.1	-176.4	0	0	0	0	0	113.2	Q665 L666 G690 E691 L692 I698	Q665-A669 VanDerWaalsContact O-CB 3.28Å; Q665-A669 WeakPolarHBondContact O-CB 3.18Å; Q665-A669 PolarHBondContact O-N 3.45Å; L666-A669 PolarHBondContact O-N 3.19Å; A669-G690 CarbonylContact O-C 3.4Å; A669-G690 WeakPolarHBondContact O-CA 3.47Å; A669-E691 VanDerWaalsContact CA-O 3.22Å; A669-E691 WeakPolarHBondContact CA-O 3.4Å; A669-E691 WeakPolarHBondContact CB-O 3.45Å; A669-E691 PolarHBondContact O-N 3.31Å; A669-L692 HydrophobicContact CB-CD2 4.35Å; A669-I698 HydrophobicContact CB-CD1 4.4Å
670	T	91.9	Very high	87.2	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	7	-178.6	59.3	0	0	0	0	113.7	L666 T668 F673 D674 N677 F688 V700	L666-T670 WeakPolarHBondContact O-CB 3.19Å; L666-T670 WeakPolarHBondContact O-CG2 3.48Å; L666-T670 PolarHBondContact O-N 3.24Å; L666-T670 PolarHBondContact O-OG1 2.84Å; T668-T670 VanDerWaalsContact C-N 3.25Å; T668-T670 PolarHBondContact O-N 3.13Å; T670-F673 HydrophobicContact CG2-CD1 4.26Å; T670-F673 HydrophobicContact CG2-CE1 4.22Å; T670-F673 PolarHBondContact O-N 3.13Å; T670-F673 PolarHBondContact OG1-N 3.21Å; T670-F673 VanDerWaalsContact OG1-N 3.09Å; T670-D674 PolarHBondContact O-N 2.85Å; T670-N677 PolarHBondContact O-ND2 3.25Å; T670-F688 HydrophobicContact CG2-CB 4.2Å; T670-V700 HydrophobicContact CG2-CB 4.11Å; T670-V700 HydrophobicContact CG2-CG2 3.79Å
671	N	90.4	Very high	87.3	Confident	90 Å²	90	65.7 Å²	65.7	48%	0.481	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	54.1	-171.6	-170	38.2	0	0	0	113.2	Q667 T668 F673 D674	Q667-N671 PolarHBondContact O-N 3.05Å; T668-N671 PolarHBondContact O-N 3.09Å; T668-N671 VanDerWaalsContact O-N 3.13Å; N671-F673 VanDerWaalsContact C-N 3.33Å; N671-F673 PolarHBondContact O-N 3.32Å; N671-D674 HydrophobicContact CB-CB 4.21Å; N671-D674 PolarHBondContact ND2-OD2 3.32Å; N671-D674 VanDerWaalsContact ND2-OD2 3.08Å; N671-D674 PolarHBondContact O-N 2.89Å
672	N	88.9	Confident	86.4	Confident	102 Å²	102	67.1 Å²	67.1	55%	0.545	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	36.6	-172.7	-60.1	-61	0	0	0	114.2	Q667 D674	Q667-N672 HydrophobicContact CG-CB 4.49Å; Q667-N672 WeakPolarHBondContact CG-OD1 3.38Å; Q667-N672 PolarHBondContact NE2-OD1 3.33Å; Q667-N672 WeakPolarHBondContact O-CA 3.28Å; Q667-N672 PolarHBondContact O-N 3.08Å; N672-D674 VanDerWaalsContact C-N 3.29Å; N672-D674 PolarHBondContact O-N 3.06Å
673	F	90	Very high	85.3	Confident	28 Å²	28	68.7 Å²	68.7	12%	0.123	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	46.9	-175	-54.6	-89.4	0	0	0	111.6	W663 Q667 T670 N671 Q675 F688 V700 L743	W663-F673 HydrophobicContact CE3-CE2 4.36Å; W663-F673 HydrophobicContact CE3-CZ 4.44Å; W663-F673 HydrophobicContact CH2-CD2 4.03Å; W663-F673 AromaticContact CH2-CE2 3.28Å; W663-F673 HydrophobicContact CH2-CE2 3.28Å; W663-F673 AromaticContact CH2-CZ 3.94Å; W663-F673 HydrophobicContact CH2-CZ 3.94Å; W663-F673 AromaticContact CZ2-CE2 3.95Å; W663-F673 HydrophobicContact CZ2-CE2 3.95Å; W663-F673 AromaticContact CZ3-CE2 3.51Å; W663-F673 HydrophobicContact CZ3-CE2 3.51Å; W663-F673 AromaticContact CZ3-CZ 3.68Å; W663-F673 HydrophobicContact CZ3-CZ 3.68Å; Q667-F673 HydrophobicContact CB-CE2 4.38Å; T670-F673 HydrophobicContact CG2-CD1 4.26Å; T670-F673 HydrophobicContact CG2-CE1 4.22Å; T670-F673 PolarHBondContact O-N 3.13Å; T670-F673 PolarHBondContact OG1-N 3.21Å; T670-F673 VanDerWaalsContact OG1-N 3.09Å; N671-F673 VanDerWaalsContact C-N 3.33Å; N671-F673 PolarHBondContact O-N 3.32Å; F673-Q675 PolarHBondContact O-N 3.22Å; F673-F688 HydrophobicContact CB-CD1 4.16Å; F673-F688 HydrophobicContact CB-CD2 4.41Å; F673-F688 HydrophobicContact CB-CE1 4.03Å; F673-F688 HydrophobicContact CB-CE2 4.27Å; F673-F688 HydrophobicContact CB-CG 4.35Å; F673-F688 HydrophobicContact CB-CZ 4.08Å; F673-F688 HydrophobicContact CD1-CB 4.39Å; F673-F688 AromaticContact CD1-CD2 3.7Å; F673-F688 HydrophobicContact CD1-CD2 3.7Å; F673-F688 HydrophobicContact CD1-CE2 4.06Å; F673-F688 HydrophobicContact CD1-CG 4.01Å; F673-F688 WeakPolarHBondContact O-CE1 3.39Å; F673-V700 HydrophobicContact CE1-CG1 4.05Å; F673-L743 HydrophobicContact CE1-CD2 3.53Å; F673-L743 HydrophobicContact CZ-CD2 3.62Å
674	D	86.6	Confident	84.2	Confident	63 Å²	63	68.4 Å²	68.4	34%	0.337	39%	0.387	S	S	.	.			trans	-53.6	135	178.4	-164.1	-32.5	0	0	0	110.1	T670 N671 N672 A676 N677	T670-D674 PolarHBondContact O-N 2.85Å; N671-D674 HydrophobicContact CB-CB 4.21Å; N671-D674 PolarHBondContact ND2-OD2 3.32Å; N671-D674 VanDerWaalsContact ND2-OD2 3.08Å; N671-D674 PolarHBondContact O-N 2.89Å; N672-D674 VanDerWaalsContact C-N 3.29Å; N672-D674 PolarHBondContact O-N 3.06Å; D674-A676 PolarHBondContact O-N 3.24Å; D674-A676 PolarHBondContact OD1-N 2.8Å; D674-N677 WeakPolarHBondContact O-CA 3.19Å; D674-N677 WeakPolarHBondContact O-CB 3.45Å; D674-N677 PolarHBondContact O-N 3.33Å
675	Q	85.6	Confident	83.7	Confident	126 Å²	126	60.6 Å²	60.6	59%	0.589	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-61.7	-27.2	178	-166.9	69.4	-6.6	0	0	111.8	F673 N677 K678	F673-Q675 PolarHBondContact O-N 3.22Å; Q675-N677 PolarHBondContact O-N 3.36Å; Q675-K678 VanDerWaalsContact O-CB 3.23Å; Q675-K678 WeakPolarHBondContact O-CB 3.16Å; Q675-K678 PolarHBondContact O-N 3.49Å; Q675-K678 VanDerWaalsContact O-N 3.11Å
676	A	84.1	Confident	83.6	Confident	87 Å²	87	56.5 Å²	56.5	72%	0.719	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-63.6	-25	172.8	0	0	0	0	0	113.1	D674	D674-A676 PolarHBondContact O-N 3.24Å; D674-A676 PolarHBondContact OD1-N 2.8Å
677	N	88.6	Confident	83.6	Confident	48 Å²	48	58.3 Å²	58.3	26%	0.257	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-90.3	-0.3	176.5	-69.4	-33.1	0	0	0	112.8	T670 D674 Q675 L679 F688 K689	T670-N677 PolarHBondContact O-ND2 3.25Å; D674-N677 WeakPolarHBondContact O-CA 3.19Å; D674-N677 WeakPolarHBondContact O-CB 3.45Å; D674-N677 PolarHBondContact O-N 3.33Å; Q675-N677 PolarHBondContact O-N 3.36Å; N677-L679 PolarHBondContact O-N 3.17Å; N677-F688 CarbonylContact O-C 3.56Å; N677-F688 WeakPolarHBondContact O-CA 3.48Å; N677-K689 HydrophobicContact CB-CB 4.32Å; N677-K689 WeakPolarHBondContact CB-O 3.47Å; N677-K689 PolarHBondContact O-N 2.73Å
678	K	88.9	Confident	83.7	Confident	47 Å²	47	55.9 Å²	55.9	20%	0.204	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	115.5	-178	-170	169.4	-178.5	160.9	0	110.7	Q675 E681 S686 F688	Q675-K678 VanDerWaalsContact O-CB 3.23Å; Q675-K678 WeakPolarHBondContact O-CB 3.16Å; Q675-K678 PolarHBondContact O-N 3.49Å; Q675-K678 VanDerWaalsContact O-N 3.11Å; K678-E681 WeakPolarHBondContact CE-OE2 3.48Å; K678-E681 IonicContact NZ-OE1 2.67Å; K678-E681 IonicContact NZ-OE2 3.2Å; K678-E681 PolarHBondContact NZ-OE2 3.06Å; K678-S686 VanDerWaalsContact CE-OG 3.27Å; K678-S686 WeakPolarHBondContact CE-OG 3.29Å; K678-S686 PolarHBondContact NZ-OG 3.32Å; K678-F688 HydrophobicContact CB-CD1 4.09Å; K678-F688 HydrophobicContact CB-CE1 3.98Å; K678-F688 HydrophobicContact CD-CE1 4.37Å; K678-F688 HydrophobicContact CG-CE1 4.2Å
679	L	85.3	Confident	83.9	Confident	55 Å²	55	53.6 Å²	53.6	29%	0.288	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-28.8	179.6	-62.3	176.3	0	0	0	112.4	N677 V687 K689 A699 Y748	N677-L679 PolarHBondContact O-N 3.17Å; L679-V687 HydrophobicContact CB-CB 4.49Å; L679-V687 HydrophobicContact CB-CG1 4.44Å; L679-V687 HydrophobicContact CD1-CG1 4.25Å; L679-V687 PolarHBondContact N-O 3.36Å; L679-K689 HydrophobicContact CD1-CB 4.08Å; L679-K689 HydrophobicContact CD2-CB 4.01Å; L679-K689 HydrophobicContact CG-CB 4.05Å; L679-A699 HydrophobicContact CD1-CB 4.21Å; L679-Y748 HydrophobicContact CD1-CD2 3.83Å; L679-Y748 HydrophobicContact CD1-CE2 3.6Å; L679-Y748 HydrophobicContact CD2-CE2 3.78Å; L679-Y748 HydrophobicContact CG-CE2 4.34Å
680	G	80.6	Confident	84	Confident	33 Å²	33	53.2 Å²	53.2	34%	0.34	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	176.1	168.2	179	0	0	0	0	0	112.6	V687	G680-V687 PolarHBondContact O-N 3.44Å
681	E	77.6	Confident	84	Confident	140 Å²	140	59 Å²	59	65%	0.654	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.6	124.8	174	177.6	166.8	-145.3	0	0	109.2	K678 S686	K678-E681 WeakPolarHBondContact CE-OE2 3.48Å; K678-E681 IonicContact NZ-OE1 2.67Å; K678-E681 IonicContact NZ-OE2 3.2Å; K678-E681 PolarHBondContact NZ-OE2 3.06Å; E681-S686 PolarHBondContact OE1-OG 3.43Å
682	G	67.2	Low	84	Confident	50 Å²	50	56 Å²	56	52%	0.515	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	-174.5	176.1	0	0	0	0	0	111.3	F684 G685	G682-F684 PolarHBondContact O-N 3.06Å; G682-G685 PolarHBondContact N-O 2.91Å; G682-G685 PolarHBondContact O-N 3.45Å
683	G	62.8	Low	83.9	Confident	66 Å²	66	57.6 Å²	57.6	68%	0.68	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-10.1	178.5	0	0	0	0	0	115.2
684	F	63.1	Low	83.7	Confident	34 Å²	34	61.8 Å²	61.8	15%	0.149	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-11.4	-169.7	-47.2	-49.4	0	0	0	113.9	G682 L703 Q709 E713	G682-F684 PolarHBondContact O-N 3.06Å; F684-L703 HydrophobicContact CB-CD2 4.5Å; F684-L703 WeakPolarHBondContact O-CD2 3.34Å; F684-Q709 HydrophobicContact CD1-CG 4.26Å; F684-Q709 HydrophobicContact CE1-CG 4.48Å; F684-E713 WeakPolarHBondContact CB-OE2 3.4Å; F684-E713 WeakPolarHBondContact CD1-OE1 3.44Å; F684-E713 WeakPolarHBondContact CE1-OE1 3.28Å; F684-E713 WeakPolarHBondContact CG-OE2 3.41Å
685	G	75	Confident	83.7	Confident	17 Å²	17	60.7 Å²	60.7	18%	0.175	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.3	172.4	-176.6	0	0	0	0	0	114.4	G682 Q702	G682-G685 PolarHBondContact N-O 2.91Å; G682-G685 PolarHBondContact O-N 3.45Å; G685-Q702 WeakPolarHBondContact CA-O 3.46Å
686	S	86	Confident	84	Confident	13 Å²	13	57 Å²	57	9%	0.091	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	140	171.6	-72	0	0	0	0	110	K678 E681 F688 Q702	K678-S686 VanDerWaalsContact CE-OG 3.27Å; K678-S686 WeakPolarHBondContact CE-OG 3.29Å; K678-S686 PolarHBondContact NZ-OG 3.32Å; E681-S686 PolarHBondContact OE1-OG 3.43Å; S686-F688 VanDerWaalsContact CB-CE2 3.43Å; S686-Q702 PolarHBondContact N-O 3.27Å; S686-Q702 PolarHBondContact O-N 3.29Å
687	V	90.7	Very high	84.4	Confident	38 Å²	38	56.1 Å²	56.1	23%	0.23	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130	176.4	-172	0	0	0	0	109.1	L679 G680 A699 V700 K701	L679-V687 HydrophobicContact CB-CB 4.49Å; L679-V687 HydrophobicContact CB-CG1 4.44Å; L679-V687 HydrophobicContact CD1-CG1 4.25Å; L679-V687 PolarHBondContact N-O 3.36Å; G680-V687 PolarHBondContact O-N 3.44Å; V687-A699 HydrophobicContact CG1-CB 4.16Å; V687-V700 CarbonylContact C-O 3.54Å; V687-V700 WeakPolarHBondContact CA-O 3.38Å; V687-K701 HydrophobicContact CG2-CB 4.15Å; V687-K701 HydrophobicContact CG2-CG 4.04Å
688	F	92.8	Very high	84.7	Confident	9 Å²	9	53.8 Å²	53.8	4%	0.039	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140.5	-178.6	-62.1	-93.3	0	0	0	110.9	T670 F673 N677 K678 S686 A699 V700	T670-F688 HydrophobicContact CG2-CB 4.2Å; F673-F688 HydrophobicContact CB-CD1 4.16Å; F673-F688 HydrophobicContact CB-CD2 4.41Å; F673-F688 HydrophobicContact CB-CE1 4.03Å; F673-F688 HydrophobicContact CB-CE2 4.27Å; F673-F688 HydrophobicContact CB-CG 4.35Å; F673-F688 HydrophobicContact CB-CZ 4.08Å; F673-F688 HydrophobicContact CD1-CB 4.39Å; F673-F688 AromaticContact CD1-CD2 3.7Å; F673-F688 HydrophobicContact CD1-CD2 3.7Å; F673-F688 HydrophobicContact CD1-CE2 4.06Å; F673-F688 HydrophobicContact CD1-CG 4.01Å; F673-F688 WeakPolarHBondContact O-CE1 3.39Å; N677-F688 CarbonylContact O-C 3.56Å; N677-F688 WeakPolarHBondContact O-CA 3.48Å; K678-F688 HydrophobicContact CB-CD1 4.09Å; K678-F688 HydrophobicContact CB-CE1 3.98Å; K678-F688 HydrophobicContact CD-CE1 4.37Å; K678-F688 HydrophobicContact CG-CE1 4.2Å; S686-F688 VanDerWaalsContact CB-CE2 3.43Å; F688-A699 CarbonylContact O-C 3.58Å; F688-V700 PolarHBondContact N-O 3.13Å; F688-V700 PolarHBondContact O-N 3.11Å
689	K	93.5	Very high	84.9	Confident	67 Å²	67	52.1 Å²	52.1	29%	0.291	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	140.2	166.4	-168.7	177.6	179.2	-178.8	0	109.3	N677 L679 I697 Y748	N677-K689 HydrophobicContact CB-CB 4.32Å; N677-K689 WeakPolarHBondContact CB-O 3.47Å; N677-K689 PolarHBondContact O-N 2.73Å; L679-K689 HydrophobicContact CD1-CB 4.08Å; L679-K689 HydrophobicContact CD2-CB 4.01Å; L679-K689 HydrophobicContact CG-CB 4.05Å; K689-I697 HydrophobicContact CD-CG2 4.44Å; K689-I697 VanDerWaalsContact CE-CG2 3.49Å; K689-I697 HydrophobicContact CG-CG2 4.08Å; K689-Y748 HydrophobicContact CB-CE2 4.48Å; K689-Y748 HydrophobicContact CD-CD2 4.49Å; K689-Y748 HydrophobicContact CD-CE2 3.92Å; K689-Y748 HydrophobicContact CG-CD2 4.12Å; K689-Y748 HydrophobicContact CG-CE2 3.97Å
690	G	93.8	Very high	85.2	Confident	5 Å²	5	49.5 Å²	49.5	5%	0.052	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	165.1	170.2	0	0	0	0	0	112	A669 I697 I698	A669-G690 CarbonylContact O-C 3.4Å; A669-G690 WeakPolarHBondContact O-CA 3.47Å; G690-I697 CarbonylContact O-C 3.6Å; G690-I697 WeakPolarHBondContact O-CA 3.27Å; G690-I698 PolarHBondContact N-O 2.87Å; G690-I698 WeakPolarHBondContact O-CG1 3.3Å; G690-I698 PolarHBondContact O-N 3.36Å
691	E	93.8	Very high	85.7	Confident	122 Å²	122	48.9 Å²	48.9	57%	0.57	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	117.4	174.4	-170.4	179.7	157.9	0	0	108.5	A669	A669-E691 VanDerWaalsContact CA-O 3.22Å; A669-E691 WeakPolarHBondContact CA-O 3.4Å; A669-E691 WeakPolarHBondContact CB-O 3.45Å; A669-E691 PolarHBondContact O-N 3.31Å
692	L	90.4	Very high	86.2	Confident	26 Å²	26	44.7 Å²	44.7	14%	0.136	29%	0.285	C	S	.	.			trans	-69	162.5	175.1	-68.6	177.6	0	0	0	110.4	F661 A669 D694 G695 T696 I698	F661-L692 HydrophobicContact CD1-CD2 4.1Å; F661-L692 HydrophobicContact CE1-CD1 3.74Å; F661-L692 HydrophobicContact CE1-CD2 3.72Å; F661-L692 HydrophobicContact CE1-CG 4.42Å; F661-L692 HydrophobicContact CZ-CD1 4.12Å; A669-L692 HydrophobicContact CB-CD2 4.35Å; L692-D694 VanDerWaalsContact CB-OD1 3.29Å; L692-D694 WeakPolarHBondContact CB-OD1 3.5Å; L692-D694 PolarHBondContact O-N 2.76Å; L692-G695 PolarHBondContact O-N 3.11Å; L692-T696 PolarHBondContact N-O 2.86Å; L692-I698 HydrophobicContact CD1-CD1 4.41Å; L692-I698 HydrophobicContact CD1-CG2 3.78Å; L692-I698 HydrophobicContact CD2-CD1 3.62Å; L692-I698 HydrophobicContact CG-CD1 3.77Å; L692-I698 HydrophobicContact CG-CG1 4.24Å; L692-I698 HydrophobicContact CG-CG2 3.96Å
693	S	85.4	Confident	86.9	Confident	135 Å²	135	42.4 Å²	42.4	94%	0.944	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.6	-178.2	52.3	0	0	0	0	114.7	G695	S693-G695 VanDerWaalsContact C-N 3.33Å
694	D	87.3	Confident	87.4	Confident	116 Å²	116	42 Å²	42	62%	0.62	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	2.6	174.9	62.3	3.5	0	0	0	113.2	L692 T696	L692-D694 VanDerWaalsContact CB-OD1 3.29Å; L692-D694 WeakPolarHBondContact CB-OD1 3.5Å; L692-D694 PolarHBondContact O-N 2.76Å; D694-T696 WeakPolarHBondContact OD1-CB 3.31Å; D694-T696 PolarHBondContact OD1-N 3.18Å; D694-T696 PolarHBondContact OD1-OG1 2.87Å; D694-T696 PolarHBondContact OD2-OG1 3.02Å
695	G	86.5	Confident	87.6	Confident	40 Å²	40	42.1 Å²	42.1	41%	0.412	25%	0.252	S	S	.	.	S	Bend	trans	86.9	0.1	-176.9	0	0	0	0	0	114.1	L692 S693 I697	L692-G695 PolarHBondContact O-N 3.11Å; S693-G695 VanDerWaalsContact C-N 3.33Å; G695-I697 PolarHBondContact O-N 3.41Å
696	T	90.7	Very high	87.2	Confident	49 Å²	49	50.9 Å²	50.9	30%	0.301	29%	0.286	S	S	.	.			trans	-68.9	120.8	178.2	-53.3	0	0	0	0	110.3	L692 D694 I698 Y733	L692-T696 PolarHBondContact N-O 2.86Å; D694-T696 WeakPolarHBondContact OD1-CB 3.31Å; D694-T696 PolarHBondContact OD1-N 3.18Å; D694-T696 PolarHBondContact OD1-OG1 2.87Å; D694-T696 PolarHBondContact OD2-OG1 3.02Å; T696-I698 HydrophobicContact CG2-CG2 4.18Å; T696-Y733 HydrophobicContact CG2-CE2 4.25Å
697	I	93.2	Very high	86.3	Confident	68 Å²	68	52.1 Å²	52.1	35%	0.349	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	130	174.5	-51.6	-178.5	0	0	0	109.2	K689 G690 G695 Y748	K689-I697 HydrophobicContact CD-CG2 4.44Å; K689-I697 VanDerWaalsContact CE-CG2 3.49Å; K689-I697 HydrophobicContact CG-CG2 4.08Å; G690-I697 CarbonylContact O-C 3.6Å; G690-I697 WeakPolarHBondContact O-CA 3.27Å; G695-I697 PolarHBondContact O-N 3.41Å; I697-Y748 HydrophobicContact CB-CD1 4.47Å; I697-Y748 HydrophobicContact CG2-CD1 3.67Å; I697-Y748 HydrophobicContact CG2-CD2 4.29Å; I697-Y748 HydrophobicContact CG2-CE1 4.39Å; I697-Y748 HydrophobicContact CG2-CG 3.61Å
698	I	94.1	Very high	85	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	156.7	-175.1	56.8	167.3	0	0	0	111.6	L666 A669 G690 L692 T696 V700 Y733 V745 Y746	L666-I698 HydrophobicContact CD2-CD1 3.98Å; A669-I698 HydrophobicContact CB-CD1 4.4Å; G690-I698 PolarHBondContact N-O 2.87Å; G690-I698 WeakPolarHBondContact O-CG1 3.3Å; G690-I698 PolarHBondContact O-N 3.36Å; L692-I698 HydrophobicContact CD1-CD1 4.41Å; L692-I698 HydrophobicContact CD1-CG2 3.78Å; L692-I698 HydrophobicContact CD2-CD1 3.62Å; L692-I698 HydrophobicContact CG-CD1 3.77Å; L692-I698 HydrophobicContact CG-CG1 4.24Å; L692-I698 HydrophobicContact CG-CG2 3.96Å; T696-I698 HydrophobicContact CG2-CG2 4.18Å; I698-V700 HydrophobicContact CD1-CG2 3.67Å; I698-V700 HydrophobicContact CG1-CG2 4.14Å; I698-Y733 HydrophobicContact CG2-CD2 3.86Å; I698-Y733 HydrophobicContact CG2-CE2 3.98Å; I698-V745 HydrophobicContact CB-CG1 3.89Å; I698-V745 HydrophobicContact CD1-CG1 3.67Å; I698-V745 HydrophobicContact CG1-CG1 4.36Å; I698-V745 HydrophobicContact CG2-CG1 3.98Å; I698-Y746 WeakPolarHBondContact CA-O 3.44Å
699	A	93	Very high	83.7	Confident	11 Å²	11	54.7 Å²	54.7	9%	0.091	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	118.9	167.7	0	0	0	0	0	109.8	L679 V687 F688 Y746	L679-A699 HydrophobicContact CD1-CB 4.21Å; V687-A699 HydrophobicContact CG1-CB 4.16Å; F688-A699 CarbonylContact O-C 3.58Å; A699-Y746 PolarHBondContact N-O 3.38Å; A699-Y746 PolarHBondContact O-N 2.84Å
700	V	92.7	Very high	82.4	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	107.1	-177.7	-174.1	0	0	0	0	109.4	L666 T670 F673 V687 F688 I698 L743 L744	L666-V700 HydrophobicContact CD1-CG1 4.23Å; L666-V700 HydrophobicContact CD2-CG2 4.22Å; T670-V700 HydrophobicContact CG2-CB 4.11Å; T670-V700 HydrophobicContact CG2-CG2 3.79Å; F673-V700 HydrophobicContact CE1-CG1 4.05Å; V687-V700 CarbonylContact C-O 3.54Å; V687-V700 WeakPolarHBondContact CA-O 3.38Å; F688-V700 PolarHBondContact N-O 3.13Å; F688-V700 PolarHBondContact O-N 3.11Å; I698-V700 HydrophobicContact CD1-CG2 3.67Å; I698-V700 HydrophobicContact CG1-CG2 4.14Å; V700-L743 HydrophobicContact CG1-CB 4.12Å; V700-L743 HydrophobicContact CG1-CD2 3.61Å; V700-L743 HydrophobicContact CG1-CG 4.49Å; V700-L744 CarbonylContact C-O 3.38Å; V700-L744 WeakPolarHBondContact CA-O 3.46Å
701	K	90.7	Very high	81.2	Confident	21 Å²	21	54.8 Å²	54.8	9%	0.091	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	111.7	174.6	-175.1	177.3	-176.7	-171.2	0	108.7	V687 L703 E717 L743 L744 Y746 D815	V687-K701 HydrophobicContact CG2-CB 4.15Å; V687-K701 HydrophobicContact CG2-CG 4.04Å; K701-L703 HydrophobicContact CD-CD2 4.24Å; K701-L703 HydrophobicContact CG-CD2 4.17Å; K701-E717 IonicContact NZ-OE1 2.88Å; K701-E717 PolarHBondContact NZ-OE1 3.34Å; K701-E717 IonicContact NZ-OE2 3.65Å; K701-E717 PolarHBondContact NZ-OE2 2.74Å; K701-L743 WeakPolarHBondContact O-CA 3.38Å; K701-L744 HydrophobicContact CB-CB 4.47Å; K701-L744 PolarHBondContact N-O 3.33Å; K701-L744 PolarHBondContact O-N 3.13Å; K701-Y746 HydrophobicContact CB-CD2 4.46Å; K701-Y746 HydrophobicContact CB-CE2 4.17Å; K701-Y746 HydrophobicContact CD-CE2 4.24Å; K701-D815 IonicContact NZ-OD1 3.84Å; K701-D815 PolarHBondContact NZ-OD1 2.98Å
702	Q	87.5	Confident	80.1	Confident	51 Å²	51	51.8 Å²	51.8	24%	0.238	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	111.5	174.6	-173.3	-177.8	28.6	0	0	109.6	G685 S686 L743	G685-Q702 WeakPolarHBondContact CA-O 3.46Å; S686-Q702 PolarHBondContact N-O 3.27Å; S686-Q702 PolarHBondContact O-N 3.29Å; Q702-L743 HydrophobicContact CB-CD2 3.85Å; Q702-L743 HydrophobicContact CG-CD2 3.92Å
703	L	82.2	Confident	79.3	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.016	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	148.3	178.7	-61.9	169.1	0	0	0	110.8	F684 K701 S705 F714 L742 L744	F684-L703 HydrophobicContact CB-CD2 4.5Å; F684-L703 WeakPolarHBondContact O-CD2 3.34Å; K701-L703 HydrophobicContact CD-CD2 4.24Å; K701-L703 HydrophobicContact CG-CD2 4.17Å; L703-S705 PolarHBondContact O-N 3.44Å; L703-F714 HydrophobicContact CD1-CB 3.55Å; L703-F714 HydrophobicContact CD1-CD2 3.74Å; L703-F714 HydrophobicContact CD1-CG 4.14Å; L703-L742 HydrophobicContact CB-CB 4.21Å; L703-L742 PolarHBondContact N-O 3.31Å; L703-L744 HydrophobicContact CD1-CD1 3.84Å; L703-L744 HydrophobicContact CD1-CG 4.37Å
704	S	74.2	Confident	78.9	Confident	56 Å²	56	44.9 Å²	44.9	39%	0.392	25%	0.249	S	C	.	.			trans	-71.4	101.6	175.3	178.1	0	0	0	0	111.2	K706 S707	S704-K706 PolarHBondContact O-N 2.92Å; S704-S707 PolarHBondContact O-N 3.35Å; S704-S707 PolarHBondContact O-OG 2.99Å
705	S	66.7	Low	78.3	Confident	37 Å²	37	42.2 Å²	42.2	26%	0.259	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.7	176.6	59.1	0	0	0	0	114.3	L703 S707 D740	L703-S705 PolarHBondContact O-N 3.44Å; S705-S707 VanDerWaalsContact C-N 3.31Å; S705-D740 WeakPolarHBondContact CB-O 3.28Å; S705-D740 PolarHBondContact OG-O 2.93Å
706	K	66.8	Low	77.7	Confident	202 Å²	202	41.8 Å²	41.8	88%	0.878	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-10.8	175.5	-64.6	-175.9	-179.2	177.3	0	113	S704	S704-K706 PolarHBondContact O-N 2.92Å
707	S	65.9	Low	77.3	Confident	39 Å²	39	39.5 Å²	39.5	27%	0.273	21%	0.21	S	C	.	.	S	Bend	trans	-103.3	133.3	-178.4	75	0	0	0	0	111	S704 S705 Q709 G710 N711	S704-S707 PolarHBondContact O-N 3.35Å; S704-S707 PolarHBondContact O-OG 2.99Å; S705-S707 VanDerWaalsContact C-N 3.31Å; S707-Q709 PolarHBondContact O-N 2.89Å; S707-G710 PolarHBondContact O-N 2.75Å; S707-G710 WeakPolarHBondContact OG-CA 3Å; S707-G710 PolarHBondContact OG-N 3.26Å; S707-N711 PolarHBondContact O-N 3.27Å
708	S	65.1	Low	76.3	Confident	58 Å²	58	37.7 Å²	37.7	41%	0.406	20%	0.201	S	C	.	.	H	α-helix	trans	-59.1	-29	172.4	54.8	0	0	0	0	112.2	R712	S708-R712 PolarHBondContact O-N 3.47Å
709	Q	64.5	Low	75.1	Confident	43 Å²	43	39.7 Å²	39.7	20%	0.201	22%	0.222	C	C	.	.	H	α-helix	trans	-68	-49.5	176.8	179.5	156.9	12.6	0	0	111.9	F684 S707 N711 R712 E713 S991	F684-Q709 HydrophobicContact CD1-CG 4.26Å; F684-Q709 HydrophobicContact CE1-CG 4.48Å; S707-Q709 PolarHBondContact O-N 2.89Å; Q709-N711 VanDerWaalsContact C-N 3.32Å; Q709-N711 PolarHBondContact O-N 3.11Å; Q709-R712 PolarHBondContact O-N 3.46Å; Q709-R712 VanDerWaalsContact O-N 3.08Å; Q709-E713 HydrophobicContact CG-CG 4.49Å; Q709-E713 WeakPolarHBondContact CG-OE1 3.45Å; Q709-E713 PolarHBondContact NE2-OE1 3.2Å; Q709-E713 PolarHBondContact O-N 2.86Å; Q709-S991 PolarHBondContact OE1-OG 2.94Å
710	G	66.2	Low	73.9	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-58.7	-40.7	177	0	0	0	0	0	112.8	S707 R712 F714	S707-G710 PolarHBondContact O-N 2.75Å; S707-G710 WeakPolarHBondContact OG-CA 3Å; S707-G710 PolarHBondContact OG-N 3.26Å; G710-R712 VanDerWaalsContact C-N 3.34Å; G710-R712 PolarHBondContact O-N 2.92Å; G710-F714 VanDerWaalsContact O-CB 3.31Å; G710-F714 WeakPolarHBondContact O-CB 3.4Å; G710-F714 PolarHBondContact O-N 2.82Å
711	N	69.3	Low	72.6	Confident	73 Å²	73	42.4 Å²	42.4	39%	0.39	23%	0.234	S	C	.	.	H	α-helix	trans	-63.6	-37.8	175.3	-68.9	-3.2	0	0	0	112.7	S707 Q709 V715 L742	S707-N711 PolarHBondContact O-N 3.27Å; Q709-N711 VanDerWaalsContact C-N 3.32Å; Q709-N711 PolarHBondContact O-N 3.11Å; N711-V715 WeakPolarHBondContact O-CG2 3.31Å; N711-V715 PolarHBondContact O-N 2.92Å; N711-L742 HydrophobicContact CB-CD1 4.36Å; N711-L742 WeakPolarHBondContact OD1-CD1 3.38Å
712	R	69.5	Low	71.1	Confident	58 Å²	58	44.5 Å²	44.5	22%	0.219	25%	0.251	C	S	.	.	H	α-helix	trans	-72.7	-45.2	-179	-178.2	178.6	174.4	148.8	6.9	111.8	S708 Q709 G710 F714 V715 N716 D997	S708-R712 PolarHBondContact O-N 3.47Å; Q709-R712 PolarHBondContact O-N 3.46Å; Q709-R712 VanDerWaalsContact O-N 3.08Å; G710-R712 VanDerWaalsContact C-N 3.34Å; G710-R712 PolarHBondContact O-N 2.92Å; R712-F714 VanDerWaalsContact C-N 3.26Å; R712-F714 PolarHBondContact O-N 3.21Å; R712-V715 PolarHBondContact O-N 3.05Å; R712-N716 WeakPolarHBondContact O-CB 3.24Å; R712-N716 PolarHBondContact O-N 3.22Å; R712-D997 IonicContact CZ-OD2 3.02Å; R712-D997 IonicContact NH1-OD2 3.49Å; R712-D997 PolarHBondContact NH1-OD2 3.41Å; R712-D997 IonicContact NH2-OD2 3.92Å; R712-D997 PolarHBondContact NH2-OD2 3.16Å
713	E	73.5	Confident	70.1	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.019	26%	0.256	C	S	.	.	H	α-helix	trans	-61.8	-39.1	176.1	-69.7	177	-161.4	0	0	110.7	F684 Q709 V715 N716 E717	F684-E713 WeakPolarHBondContact CB-OE2 3.4Å; F684-E713 WeakPolarHBondContact CD1-OE1 3.44Å; F684-E713 WeakPolarHBondContact CE1-OE1 3.28Å; F684-E713 WeakPolarHBondContact CG-OE2 3.41Å; Q709-E713 HydrophobicContact CG-CG 4.49Å; Q709-E713 WeakPolarHBondContact CG-OE1 3.45Å; Q709-E713 PolarHBondContact NE2-OE1 3.2Å; Q709-E713 PolarHBondContact O-N 2.86Å; E713-V715 PolarHBondContact O-N 2.78Å; E713-N716 PolarHBondContact O-N 2.96Å; E713-E717 WeakPolarHBondContact O-CB 3.5Å; E713-E717 WeakPolarHBondContact O-CG 3.3Å; E713-E717 PolarHBondContact O-N 3.04Å
714	F	78	Confident	69.8	Low	13 Å²	13	44.7 Å²	44.7	6%	0.057	26%	0.261	C	S	.	.	H	α-helix	trans	-55.5	-49.8	173.7	-175	-107.9	0	0	0	112.8	L703 G710 R712 E717 I718 C735 V737 L742 L744	L703-F714 HydrophobicContact CD1-CB 3.55Å; L703-F714 HydrophobicContact CD1-CD2 3.74Å; L703-F714 HydrophobicContact CD1-CG 4.14Å; G710-F714 VanDerWaalsContact O-CB 3.31Å; G710-F714 WeakPolarHBondContact O-CB 3.4Å; G710-F714 PolarHBondContact O-N 2.82Å; R712-F714 VanDerWaalsContact C-N 3.26Å; R712-F714 PolarHBondContact O-N 3.21Å; F714-E717 PolarHBondContact O-N 2.96Å; F714-I718 HydrophobicContact CD1-CD1 3.84Å; F714-I718 HydrophobicContact CD2-CD1 4.35Å; F714-I718 HydrophobicContact CE1-CD1 3.21Å; F714-I718 HydrophobicContact CE1-CG1 4.37Å; F714-I718 HydrophobicContact CE2-CD1 3.83Å; F714-I718 HydrophobicContact CE2-CG1 4.42Å; F714-I718 HydrophobicContact CG-CD1 4.38Å; F714-I718 HydrophobicContact CZ-CD1 3.22Å; F714-I718 HydrophobicContact CZ-CG1 4.25Å; F714-I718 WeakPolarHBondContact O-CG1 3.34Å; F714-I718 PolarHBondContact O-N 2.9Å; F714-C735 HydrophobicContact CE2-CB 3.93Å; F714-C735 HydrophobicContact CZ-CB 3.86Å; F714-V737 HydrophobicContact CE1-CG2 3.46Å; F714-V737 VanDerWaalsContact CE1-CG2 3.46Å; F714-V737 HydrophobicContact CE2-CG2 4.44Å; F714-V737 HydrophobicContact CZ-CG2 3.24Å; F714-L742 HydrophobicContact CB-CD1 3.97Å; F714-L742 HydrophobicContact CD1-CD1 4.18Å; F714-L742 HydrophobicContact CD1-CD2 3.87Å; F714-L742 HydrophobicContact CD1-CG 4.45Å; F714-L742 HydrophobicContact CD2-CB 3.88Å; F714-L742 HydrophobicContact CE1-CD2 3.79Å; F714-L742 HydrophobicContact CE2-CB 4.14Å; F714-L742 HydrophobicContact CE2-CD2 4.43Å; F714-L742 HydrophobicContact CG-CB 4.1Å; F714-L742 HydrophobicContact CG-CD1 4Å; F714-L742 HydrophobicContact CG-CD2 4.22Å; F714-L742 HydrophobicContact CG-CG 4.35Å; F714-L742 HydrophobicContact CZ-CD2 4.07Å; F714-L744 HydrophobicContact CD2-CD1 4.15Å; F714-L744 HydrophobicContact CD2-CD2 3.71Å; F714-L744 HydrophobicContact CD2-CG 3.75Å; F714-L744 HydrophobicContact CE2-CD2 3.6Å; F714-L744 HydrophobicContact CE2-CG 3.91Å
715	V	75.3	Confident	70.1	Confident	60 Å²	60	48.3 Å²	48.3	36%	0.364	28%	0.276	S	S	.	.	H	α-helix	trans	-71.4	-39.2	-178.9	-173.8	0	0	0	0	111.5	N711 R712 E713 I718 G719 L998	N711-V715 WeakPolarHBondContact O-CG2 3.31Å; N711-V715 PolarHBondContact O-N 2.92Å; R712-V715 PolarHBondContact O-N 3.05Å; E713-V715 PolarHBondContact O-N 2.78Å; V715-I718 PolarHBondContact O-N 3.21Å; V715-G719 PolarHBondContact O-N 3.25Å; V715-L998 HydrophobicContact CB-CD1 4.45Å; V715-L998 HydrophobicContact CB-CD2 3.8Å; V715-L998 HydrophobicContact CG1-CD1 3.88Å; V715-L998 HydrophobicContact CG1-CD2 3.19Å; V715-L998 HydrophobicContact CG1-CG 4.16Å; V715-L998 HydrophobicContact CG2-CD1 4.44Å
716	N	73.8	Confident	71.3	Confident	30 Å²	30	48.4 Å²	48.4	16%	0.16	27%	0.273	C	S	.	.	H	α-helix	trans	-56.9	-50.2	173.2	-89	3.1	0	0	0	110.8	R712 E713 G719 M720 G817	R712-N716 WeakPolarHBondContact O-CB 3.24Å; R712-N716 PolarHBondContact O-N 3.22Å; E713-N716 PolarHBondContact O-N 2.96Å; N716-G719 PolarHBondContact O-N 3.07Å; N716-M720 VanDerWaalsContact O-CG 3.27Å; N716-M720 WeakPolarHBondContact O-CG 3.49Å; N716-M720 PolarHBondContact O-N 2.9Å; N716-G817 PolarHBondContact ND2-O 3.34Å
717	E	81.2	Confident	72.5	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-68.1	-38.8	-177.9	-70.3	-173.5	155.9	0	0	112.2	K701 E713 F714 G719 M720 L732 L744 Y746 F816 G817	K701-E717 IonicContact NZ-OE1 2.88Å; K701-E717 PolarHBondContact NZ-OE1 3.34Å; K701-E717 IonicContact NZ-OE2 3.65Å; K701-E717 PolarHBondContact NZ-OE2 2.74Å; E713-E717 WeakPolarHBondContact O-CB 3.5Å; E713-E717 WeakPolarHBondContact O-CG 3.3Å; E713-E717 PolarHBondContact O-N 3.04Å; F714-E717 PolarHBondContact O-N 2.96Å; E717-G719 VanDerWaalsContact C-N 3.33Å; E717-G719 PolarHBondContact O-N 3.28Å; E717-M720 WeakPolarHBondContact O-CB 3.27Å; E717-M720 PolarHBondContact O-N 2.8Å; E717-L732 WeakPolarHBondContact O-CD2 3.25Å; E717-L744 HydrophobicContact CB-CD1 3.59Å; E717-L744 HydrophobicContact CG-CD1 4.24Å; E717-L744 WeakPolarHBondContact OE2-CD1 3.43Å; E717-Y746 PolarHBondContact OE2-OH 3.48Å; E717-F816 HydrophobicContact CG-CB 4.3Å; E717-F816 PolarHBondContact OE1-N 2.74Å; E717-G817 PolarHBondContact OE1-N 2.93Å
718	I	72.9	Confident	73.9	Confident	31 Å²	31	42.2 Å²	42.2	16%	0.159	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-41.3	171.4	-74.3	-179.3	0	0	0	111.9	F714 V715 M720 I721 C735 L744	F714-I718 HydrophobicContact CD1-CD1 3.84Å; F714-I718 HydrophobicContact CD2-CD1 4.35Å; F714-I718 HydrophobicContact CE1-CD1 3.21Å; F714-I718 HydrophobicContact CE1-CG1 4.37Å; F714-I718 HydrophobicContact CE2-CD1 3.83Å; F714-I718 HydrophobicContact CE2-CG1 4.42Å; F714-I718 HydrophobicContact CG-CD1 4.38Å; F714-I718 HydrophobicContact CZ-CD1 3.22Å; F714-I718 HydrophobicContact CZ-CG1 4.25Å; F714-I718 WeakPolarHBondContact O-CG1 3.34Å; F714-I718 PolarHBondContact O-N 2.9Å; V715-I718 PolarHBondContact O-N 3.21Å; I718-M720 PolarHBondContact O-N 3.14Å; I718-I721 HydrophobicContact CG2-CD1 4.49Å; I718-I721 WeakPolarHBondContact O-CB 3.08Å; I718-I721 WeakPolarHBondContact O-CG1 3.49Å; I718-I721 PolarHBondContact O-N 2.86Å; I718-C735 HydrophobicContact CD1-CB 3.8Å; I718-C735 VanDerWaalsContact CD1-SG 3.52Å; I718-C735 HydrophobicContact CG1-CB 4.14Å; I718-L744 HydrophobicContact CD1-CD2 4.46Å; I718-L744 HydrophobicContact CG1-CD2 3.79Å
719	G	68.7	Low	75.3	Confident	42 Å²	42	39.7 Å²	39.7	43%	0.433	23%	0.233	S	C	.	.	H	α-helix	trans	-56.6	-23.1	177.6	0	0	0	0	0	113	V715 N716 E717	V715-G719 PolarHBondContact O-N 3.25Å; N716-G719 PolarHBondContact O-N 3.07Å; E717-G719 VanDerWaalsContact C-N 3.33Å; E717-G719 PolarHBondContact O-N 3.28Å
720	M	68.1	Low	76.6	Confident	24 Å²	24	38.2 Å²	38.2	12%	0.118	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-18.8	179.5	-50	-55.5	-73.7	0	0	114.2	N716 E717 I718 S722 G723 L724 M793 F816 A819	N716-M720 VanDerWaalsContact O-CG 3.27Å; N716-M720 WeakPolarHBondContact O-CG 3.49Å; N716-M720 PolarHBondContact O-N 2.9Å; E717-M720 WeakPolarHBondContact O-CB 3.27Å; E717-M720 PolarHBondContact O-N 2.8Å; I718-M720 PolarHBondContact O-N 3.14Å; M720-S722 PolarHBondContact O-N 3.05Å; M720-G723 PolarHBondContact O-N 3.11Å; M720-L724 HydrophobicContact CB-CD1 3.99Å; M720-L724 HydrophobicContact CB-CG 4.23Å; M720-L724 HydrophobicContact CE-CD1 3.18Å; M720-L724 HydrophobicContact CE-CD2 4.37Å; M720-L724 HydrophobicContact CE-CG 3.79Å; M720-L724 HydrophobicContact CG-CD1 4.4Å; M720-L724 PolarHBondContact O-N 3.2Å; M720-L724 VanDerWaalsContact O-N 3.14Å; M720-M793 HydrophobicContact CE-CE 4.23Å; M720-M793 HydrophobicContact CE-SD 3.21Å; M720-M793 WeakPolarHBondContact CE-SD 3.27Å; M720-M793 HydrophobicContact SD-SD 3.98Å; M720-F816 HydrophobicContact CE-CB 4.3Å; M720-F816 HydrophobicContact CE-CD1 3.67Å; M720-F816 HydrophobicContact CE-CE1 4.28Å; M720-F816 HydrophobicContact CE-CG 4.14Å; M720-F816 HydrophobicContact CG-CB 3.97Å; M720-F816 HydrophobicContact CG-CG 4.4Å; M720-A819 HydrophobicContact CE-CB 4.21Å; M720-A819 HydrophobicContact SD-CB 4.41Å
721	I	65.2	Low	77.6	Confident	44 Å²	44	42.8 Å²	42.8	23%	0.226	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-35.1	-172.7	-66	174	0	0	0	111.9	T658 I718 G723 L732	T658-I721 HydrophobicContact CG2-CB 4.37Å; T658-I721 HydrophobicContact CG2-CD1 3.66Å; T658-I721 HydrophobicContact CG2-CG2 4.09Å; I718-I721 HydrophobicContact CG2-CD1 4.49Å; I718-I721 WeakPolarHBondContact O-CB 3.08Å; I718-I721 WeakPolarHBondContact O-CG1 3.49Å; I718-I721 PolarHBondContact O-N 2.86Å; I721-G723 VanDerWaalsContact C-N 3.32Å; I721-G723 PolarHBondContact O-N 3.43Å; I721-L732 HydrophobicContact CD1-CD2 3.63Å; I721-L732 HydrophobicContact CD1-CG 3.77Å; I721-L732 HydrophobicContact CG1-CB 4.13Å; I721-L732 HydrophobicContact CG1-CD2 3.36Å; I721-L732 HydrophobicContact CG1-CG 3.63Å
722	S	59.6	Low	78.5	Confident	65 Å²	65	40.5 Å²	40.5	46%	0.455	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-14.1	-176	60.1	0	0	0	0	114.3	M720	M720-S722 PolarHBondContact O-N 3.05Å
723	G	65.8	Low	79.3	Confident	33 Å²	33	41.2 Å²	41.2	34%	0.34	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.3	-15.5	-168.6	0	0	0	0	0	116.8	M720 I721	M720-G723 PolarHBondContact O-N 3.11Å; I721-G723 VanDerWaalsContact C-N 3.32Å; I721-G723 PolarHBondContact O-N 3.43Å
724	L	75.1	Confident	79.9	Confident	24 Å²	24	41 Å²	41	13%	0.126	24%	0.236	C	C	.	.			trans	-109.1	88.3	-175.3	-66.3	-164.1	0	0	0	112.8	M720 L729 F784 L785 M793 F816	M720-L724 HydrophobicContact CB-CD1 3.99Å; M720-L724 HydrophobicContact CB-CG 4.23Å; M720-L724 HydrophobicContact CE-CD1 3.18Å; M720-L724 HydrophobicContact CE-CD2 4.37Å; M720-L724 HydrophobicContact CE-CG 3.79Å; M720-L724 HydrophobicContact CG-CD1 4.4Å; M720-L724 PolarHBondContact O-N 3.2Å; M720-L724 VanDerWaalsContact O-N 3.14Å; L724-L729 HydrophobicContact CB-CD1 4.26Å; L724-L729 HydrophobicContact CD1-CD1 4.13Å; L724-L729 HydrophobicContact CD2-CD1 3.8Å; L724-L729 HydrophobicContact CG-CD1 4.31Å; L724-F784 HydrophobicContact CD2-CD1 4.44Å; L724-F784 HydrophobicContact CD2-CE1 3.86Å; L724-L785 HydrophobicContact CD1-CD2 4.06Å; L724-L785 HydrophobicContact CD2-CD2 3.38Å; L724-L785 HydrophobicContact CG-CD2 4.4Å; L724-M793 HydrophobicContact CD2-CE 3.33Å; L724-M793 HydrophobicContact CD2-SD 4.38Å; L724-M793 HydrophobicContact CG-CE 4.13Å; L724-F816 HydrophobicContact CD1-CD1 3.85Å; L724-F816 HydrophobicContact CD1-CD2 4.39Å; L724-F816 HydrophobicContact CD1-CE1 3.46Å; L724-F816 VanDerWaalsContact CD1-CE1 3.46Å; L724-F816 HydrophobicContact CD1-CE2 4.07Å; L724-F816 HydrophobicContact CD1-CG 4.29Å; L724-F816 HydrophobicContact CD1-CZ 3.59Å
725	N	81.7	Confident	80.4	Confident	132 Å²	132	40.7 Å²	40.7	71%	0.706	24%	0.236	S	C	*	.			trans	-124.5	99.1	165.1	-176	29.9	0	0	0	109.5
726	H	90.6	Very high	80.9	Confident	39 Å²	39	37.9 Å²	37.9	18%	0.181	22%	0.219	C	C	.	.			trans	-147.9	142.2	-177.3	-176.2	-94.5	0	0	0	110.3	N728 L729 F784	H726-N728 PolarHBondContact CE1-OD1 3.13Å; H726-N728 PolarHBondContact ND1-N 2.9Å; H726-N728 VanDerWaalsContact ND1-N 3.11Å; H726-N728 PolarHBondContact O-N 3.08Å; H726-N728 VanDerWaalsContact O-N 3.08Å; H726-L729 HydrophobicContact CB-CB 4.37Å; H726-L729 HydrophobicContact CB-CD1 3.89Å; H726-L729 HydrophobicContact CB-CG 3.9Å; H726-L729 PolarHBondContact O-N 3.28Å; H726-F784 HydrophobicContact CB-CD1 3.92Å; H726-F784 HydrophobicContact CB-CE1 4.08Å; H726-F784 HydrophobicContact CB-CG 4.13Å; H726-F784 HydrophobicContact CB-CZ 4.48Å; H726-F784 AromaticContact CD2-CD2 3.77Å; H726-F784 AromaticContact CD2-CG 3.71Å; H726-F784 AromaticContact CG-CG 3.92Å
727	P	92.8	Very high	81.3	Confident	94 Å²	94	40.1 Å²	40.1	61%	0.61	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.6	-177.5	-27.5	35.6	0	0	0	115.1	K812	P727-K812 WeakPolarHBondContact O-CE 3.15Å; P727-K812 WeakPolarHBondContact O-CG 3.47Å
728	N	95.7	Very high	81	Confident	18 Å²	18	43.9 Å²	43.9	10%	0.096	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	17.2	179.6	-58.2	108.1	0	0	0	114.4	H726 G777 A811 K812 I813	H726-N728 PolarHBondContact CE1-OD1 3.13Å; H726-N728 PolarHBondContact ND1-N 2.9Å; H726-N728 VanDerWaalsContact ND1-N 3.11Å; H726-N728 PolarHBondContact O-N 3.08Å; H726-N728 VanDerWaalsContact O-N 3.08Å; N728-G777 WeakPolarHBondContact CB-O 3.2Å; N728-G777 WeakPolarHBondContact ND2-CA 3.46Å; N728-G777 PolarHBondContact OD1-O 3.47Å; N728-A811 VanDerWaalsContact CA-O 3.3Å; N728-A811 WeakPolarHBondContact CA-O 3.42Å; N728-A811 WeakPolarHBondContact CB-O 3.47Å; N728-A811 PolarHBondContact ND2-O 2.88Å; N728-K812 CarbonylContact O-C 3.51Å; N728-K812 WeakPolarHBondContact O-CA 3.48Å; N728-I813 PolarHBondContact O-N 3.15Å
729	L	93	Very high	80.7	Confident	5 Å²	5	51.5 Å²	51.5	3%	0.026	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-124.7	140	171.9	-53.1	179.9	0	0	0	109	L724 H726 K731 F784 L785 I813 F816	L724-L729 HydrophobicContact CB-CD1 4.26Å; L724-L729 HydrophobicContact CD1-CD1 4.13Å; L724-L729 HydrophobicContact CD2-CD1 3.8Å; L724-L729 HydrophobicContact CG-CD1 4.31Å; H726-L729 HydrophobicContact CB-CB 4.37Å; H726-L729 HydrophobicContact CB-CD1 3.89Å; H726-L729 HydrophobicContact CB-CG 3.9Å; H726-L729 PolarHBondContact O-N 3.28Å; L729-K731 PolarHBondContact O-N 3.34Å; L729-F784 HydrophobicContact CD1-CD1 3.7Å; L729-F784 HydrophobicContact CD1-CE1 4.02Å; L729-L785 HydrophobicContact CD1-CD2 3.81Å; L729-L785 HydrophobicContact CD1-CG 4.32Å; L729-L785 HydrophobicContact CD2-CD1 4.26Å; L729-L785 HydrophobicContact CD2-CG 4.3Å; L729-I813 HydrophobicContact CD2-CB 3.85Å; L729-I813 HydrophobicContact CD2-CD1 4.03Å; L729-I813 HydrophobicContact CD2-CG1 4.29Å; L729-F816 HydrophobicContact CB-CZ 4.31Å; L729-F816 HydrophobicContact CD1-CZ 4.45Å; L729-F816 HydrophobicContact CD2-CZ 4.05Å; L729-F816 HydrophobicContact CG-CZ 4.49Å
730	V	91.7	Very high	80.8	Confident	11 Å²	11	56.2 Å²	56.2	7%	0.067	29%	0.293	C	S	.	.			trans	-69.3	127.4	-180	177.9	0	0	0	0	110.1	Y746 E747 M749 L804 K812 I813	V730-Y746 HydrophobicContact CG1-CD1 3.82Å; V730-Y746 HydrophobicContact CG1-CG 4.3Å; V730-E747 HydrophobicContact CG1-CG 3.88Å; V730-M749 HydrophobicContact CG2-CG 4.49Å; V730-M749 HydrophobicContact CG2-SD 4.33Å; V730-L804 HydrophobicContact CG2-CB 4.46Å; V730-L804 HydrophobicContact CG2-CD1 4.22Å; V730-K812 HydrophobicContact CG2-CB 3.54Å; V730-I813 PolarHBondContact N-O 3.2Å
731	K	88.8	Confident	81.3	Confident	98 Å²	98	57.3 Å²	57.3	43%	0.426	30%	0.298	S	S	.	.			trans	-74.9	124.4	-179.8	-171.8	170.4	179.3	176.8	0	111.5	L729 Y733 Y746 E747	L729-K731 PolarHBondContact O-N 3.34Å; K731-Y733 HydrophobicContact CD-CD1 4.2Å; K731-Y733 HydrophobicContact CD-CE1 3.78Å; K731-Y733 HydrophobicContact CG-CD1 4.19Å; K731-Y733 HydrophobicContact CG-CE1 4.13Å; K731-Y746 WeakPolarHBondContact O-CA 3.18Å; K731-E747 HydrophobicContact CB-CB 4.45Å; K731-E747 HydrophobicContact CB-CG 4.07Å; K731-E747 WeakPolarHBondContact CB-OE1 3.23Å; K731-E747 PolarHBondContact N-OE1 3.44Å; K731-E747 PolarHBondContact O-N 2.69Å
732	L	87.7	Confident	82.3	Confident	24 Å²	24	56.2 Å²	56.2	13%	0.126	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	112.1	169.1	179.6	54.4	0	0	0	108.8	E717 I721 G734 L744 V745 Y746	E717-L732 WeakPolarHBondContact O-CD2 3.25Å; I721-L732 HydrophobicContact CD1-CD2 3.63Å; I721-L732 HydrophobicContact CD1-CG 3.77Å; I721-L732 HydrophobicContact CG1-CB 4.13Å; I721-L732 HydrophobicContact CG1-CD2 3.36Å; I721-L732 HydrophobicContact CG1-CG 3.63Å; L732-G734 VanDerWaalsContact CD1-O 3.31Å; L732-G734 WeakPolarHBondContact CD1-O 3.33Å; L732-L744 HydrophobicContact CD1-CB 4.05Å; L732-L744 HydrophobicContact CD1-CD2 4.19Å; L732-L744 HydrophobicContact CD2-CD2 4.32Å; L732-V745 WeakPolarHBondContact CD1-O 3.33Å; L732-Y746 HydrophobicContact CB-CD1 4.01Å; L732-Y746 HydrophobicContact CB-CE1 3.83Å; L732-Y746 HydrophobicContact CD1-CD1 3.97Å; L732-Y746 HydrophobicContact CD1-CD2 4.39Å; L732-Y746 HydrophobicContact CD1-CE1 3.72Å; L732-Y746 HydrophobicContact CD1-CE2 4.15Å; L732-Y746 HydrophobicContact CD1-CG 4.3Å; L732-Y746 HydrophobicContact CD2-CE1 4.4Å; L732-Y746 HydrophobicContact CG-CE1 4.19Å
733	Y	85.7	Confident	83.7	Confident	73 Å²	73	53.1 Å²	53.1	29%	0.286	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	-33.6	177.3	-67.7	-42	0	0	0	112.6	V659 T696 I698 K731 V745 E747	V659-Y733 WeakPolarHBondContact CB-O 3.38Å; T696-Y733 HydrophobicContact CG2-CE2 4.25Å; I698-Y733 HydrophobicContact CG2-CD2 3.86Å; I698-Y733 HydrophobicContact CG2-CE2 3.98Å; K731-Y733 HydrophobicContact CD-CD1 4.2Å; K731-Y733 HydrophobicContact CD-CE1 3.78Å; K731-Y733 HydrophobicContact CG-CD1 4.19Å; K731-Y733 HydrophobicContact CG-CE1 4.13Å; Y733-V745 WeakPolarHBondContact CA-O 3.26Å; Y733-V745 WeakPolarHBondContact CB-O 3.45Å; Y733-V745 HydrophobicContact CD2-CG1 4.45Å; Y733-V745 PolarHBondContact N-O 3.04Å; Y733-E747 HydrophobicContact CE2-CB 3.94Å
734	G	87.1	Confident	84.9	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.3	-162.1	-179	0	0	0	0	0	113.7	V659 L732 V745	V659-G734 VanDerWaalsContact O-CA 3.27Å; V659-G734 WeakPolarHBondContact O-CA 3.12Å; L732-G734 VanDerWaalsContact CD1-O 3.31Å; L732-G734 WeakPolarHBondContact CD1-O 3.33Å; G734-V745 PolarHBondContact N-O 2.85Å; G734-V745 PolarHBondContact O-N 3.17Å
735	C	88.1	Confident	85.6	Confident	6 Å²	6	50.4 Å²	50.4	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	163.4	-175.5	66.2	0	0	0	0	112.5	V659 C660 F661 F714 I718 L743 L744	V659-C735 PolarHBondContact O-N 3.1Å; C660-C735 WeakPolarHBondContact CA-O 3.46Å; F661-C735 PolarHBondContact N-O 2.81Å; F714-C735 HydrophobicContact CE2-CB 3.93Å; F714-C735 HydrophobicContact CZ-CB 3.86Å; I718-C735 HydrophobicContact CD1-CB 3.8Å; I718-C735 VanDerWaalsContact CD1-SG 3.52Å; I718-C735 HydrophobicContact CG1-CB 4.14Å; C735-L743 CarbonylContact C-O 3.59Å; C735-L743 WeakPolarHBondContact CA-O 3.48Å; C735-L743 WeakPolarHBondContact CB-O 3.16Å; C735-L744 HydrophobicContact CB-CD2 3.9Å
736	C	85.7	Confident	86.1	Confident	1 Å²	1	45 Å²	45	1%	0.007	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.7	167.6	179.5	0	0	0	0	109.8	F661 W663 L666 L743	F661-C736 HydrophobicContact CB-CB 4.42Å; F661-C736 WeakPolarHBondContact O-CA 3.43Å; F661-C736 WeakPolarHBondContact O-CB 3.48Å; F661-C736 PolarHBondContact O-SG 3.45Å; W663-C736 PolarHBondContact N-SG 3.24Å; W663-C736 VanDerWaalsContact N-SG 3.39Å; L666-C736 HydrophobicContact CD1-CB 3.48Å; L666-C736 VanDerWaalsContact CD1-CB 3.48Å; C736-L743 HydrophobicContact CB-CB 4.13Å; C736-L743 HydrophobicContact CB-CD1 3.84Å; C736-L743 PolarHBondContact N-O 3.09Å; C736-L743 PolarHBondContact O-N 3.2Å
737	V	81.2	Confident	86.1	Confident	77 Å²	77	44.6 Å²	44.6	47%	0.467	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	80.5	176.2	-172	0	0	0	0	108.7	F714 L742	F714-V737 HydrophobicContact CE1-CG2 3.46Å; F714-V737 VanDerWaalsContact CE1-CG2 3.46Å; F714-V737 HydrophobicContact CE2-CG2 4.44Å; F714-V737 HydrophobicContact CZ-CG2 3.24Å; V737-L742 HydrophobicContact CG1-CD2 4.07Å; V737-L742 HydrophobicContact CG2-CD2 4.3Å
738	E	76	Confident	86.1	Confident	80 Å²	80	42.1 Å²	42.1	37%	0.374	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	140.4	179.5	-76	-173.9	-167.3	0	0	110.8	S662 W663 D740 Q741	S662-E738 WeakPolarHBondContact CA-OE1 3.28Å; W663-E738 HydrophobicContact CB-CB 3.91Å; W663-E738 WeakPolarHBondContact CB-OE2 3.32Å; W663-E738 PolarHBondContact N-OE2 2.98Å; E738-D740 PolarHBondContact O-N 3.08Å; E738-Q741 PolarHBondContact N-O 3.11Å; E738-Q741 VanDerWaalsContact O-CB 3.25Å; E738-Q741 WeakPolarHBondContact O-CB 3.38Å; E738-Q741 PolarHBondContact O-N 3.07Å
739	R	65.6	Low	86	Confident	192 Å²	192	41.9 Å²	41.9	73%	0.725	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	49	172.8	-58.8	-179.3	175.8	-167	-3.9	114.9	Q741	R739-Q741 PolarHBondContact O-N 2.94Å
740	D	71.9	Confident	85.9	Confident	140 Å²	140	45.6 Å²	45.6	75%	0.749	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	25.3	-177.1	-54.1	-32	0	0	0	113.8	S705 E738	S705-D740 WeakPolarHBondContact CB-O 3.28Å; S705-D740 PolarHBondContact OG-O 2.93Å; E738-D740 PolarHBondContact O-N 3.08Å
741	Q	79.3	Confident	85.8	Confident	48 Å²	48	47.2 Å²	47.2	22%	0.224	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	131.2	171.6	-56.4	-64.1	-47.5	0	0	109.4	W663 E738 R739 L743	W663-Q741 HydrophobicContact CE3-CB 3.99Å; W663-Q741 HydrophobicContact CE3-CG 3.79Å; W663-Q741 HydrophobicContact CH2-CG 4.11Å; W663-Q741 HydrophobicContact CZ3-CB 3.95Å; W663-Q741 HydrophobicContact CZ3-CG 3.56Å; E738-Q741 PolarHBondContact N-O 3.11Å; E738-Q741 VanDerWaalsContact O-CB 3.25Å; E738-Q741 WeakPolarHBondContact O-CB 3.38Å; E738-Q741 PolarHBondContact O-N 3.07Å; R739-Q741 PolarHBondContact O-N 2.94Å; Q741-L743 HydrophobicContact CB-CD1 3.87Å
742	L	85.7	Confident	85.8	Confident	20 Å²	20	45.5 Å²	45.5	11%	0.105	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	109.9	172.4	-63.3	-175.2	0	0	0	108.2	L703 N711 F714 V737	L703-L742 HydrophobicContact CB-CB 4.21Å; L703-L742 PolarHBondContact N-O 3.31Å; N711-L742 HydrophobicContact CB-CD1 4.36Å; N711-L742 WeakPolarHBondContact OD1-CD1 3.38Å; F714-L742 HydrophobicContact CB-CD1 3.97Å; F714-L742 HydrophobicContact CD1-CD1 4.18Å; F714-L742 HydrophobicContact CD1-CD2 3.87Å; F714-L742 HydrophobicContact CD1-CG 4.45Å; F714-L742 HydrophobicContact CD2-CB 3.88Å; F714-L742 HydrophobicContact CE1-CD2 3.79Å; F714-L742 HydrophobicContact CE2-CB 4.14Å; F714-L742 HydrophobicContact CE2-CD2 4.43Å; F714-L742 HydrophobicContact CG-CB 4.1Å; F714-L742 HydrophobicContact CG-CD1 4Å; F714-L742 HydrophobicContact CG-CD2 4.22Å; F714-L742 HydrophobicContact CG-CG 4.35Å; F714-L742 HydrophobicContact CZ-CD2 4.07Å; V737-L742 HydrophobicContact CG1-CD2 4.07Å; V737-L742 HydrophobicContact CG2-CD2 4.3Å
743	L	89.1	Confident	86	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137.7	-179	-54.9	123.7	0	0	0	110.7	W663 L666 F673 V700 K701 Q702 C735 C736 Q741	W663-L743 HydrophobicContact CE3-CD1 3.74Å; W663-L743 HydrophobicContact CZ3-CD1 3.83Å; L666-L743 HydrophobicContact CD1-CB 4.01Å; L666-L743 HydrophobicContact CD1-CD1 4.19Å; F673-L743 HydrophobicContact CE1-CD2 3.53Å; F673-L743 HydrophobicContact CZ-CD2 3.62Å; V700-L743 HydrophobicContact CG1-CB 4.12Å; V700-L743 HydrophobicContact CG1-CD2 3.61Å; V700-L743 HydrophobicContact CG1-CG 4.49Å; K701-L743 WeakPolarHBondContact O-CA 3.38Å; Q702-L743 HydrophobicContact CB-CD2 3.85Å; Q702-L743 HydrophobicContact CG-CD2 3.92Å; C735-L743 CarbonylContact C-O 3.59Å; C735-L743 WeakPolarHBondContact CA-O 3.48Å; C735-L743 WeakPolarHBondContact CB-O 3.16Å; C736-L743 HydrophobicContact CB-CB 4.13Å; C736-L743 HydrophobicContact CB-CD1 3.84Å; C736-L743 PolarHBondContact N-O 3.09Å; C736-L743 PolarHBondContact O-N 3.2Å; Q741-L743 HydrophobicContact CB-CD1 3.87Å
744	L	89.8	Confident	86.4	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138	173	-65.2	168	0	0	0	109.4	V700 K701 L703 F714 E717 I718 L732 C735 Y746	V700-L744 CarbonylContact C-O 3.38Å; V700-L744 WeakPolarHBondContact CA-O 3.46Å; K701-L744 HydrophobicContact CB-CB 4.47Å; K701-L744 PolarHBondContact N-O 3.33Å; K701-L744 PolarHBondContact O-N 3.13Å; L703-L744 HydrophobicContact CD1-CD1 3.84Å; L703-L744 HydrophobicContact CD1-CG 4.37Å; F714-L744 HydrophobicContact CD2-CD1 4.15Å; F714-L744 HydrophobicContact CD2-CD2 3.71Å; F714-L744 HydrophobicContact CD2-CG 3.75Å; F714-L744 HydrophobicContact CE2-CD2 3.6Å; F714-L744 HydrophobicContact CE2-CG 3.91Å; E717-L744 HydrophobicContact CB-CD1 3.59Å; E717-L744 HydrophobicContact CG-CD1 4.24Å; E717-L744 WeakPolarHBondContact OE2-CD1 3.43Å; I718-L744 HydrophobicContact CD1-CD2 4.46Å; I718-L744 HydrophobicContact CG1-CD2 3.79Å; L732-L744 HydrophobicContact CD1-CB 4.05Å; L732-L744 HydrophobicContact CD1-CD2 4.19Å; L732-L744 HydrophobicContact CD2-CD2 4.32Å; C735-L744 HydrophobicContact CB-CD2 3.9Å; L744-Y746 HydrophobicContact CB-CD2 4.31Å; L744-Y746 HydrophobicContact CB-CE2 3.55Å; L744-Y746 HydrophobicContact CD1-CE2 4.42Å
745	V	90.6	Very high	86.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	106.4	-172.6	-175.4	0	0	0	0	109	F661 L666 I698 L732 Y733 G734	F661-V745 HydrophobicContact CD2-CB 4.06Å; F661-V745 HydrophobicContact CD2-CG1 4.41Å; F661-V745 HydrophobicContact CD2-CG2 3.62Å; F661-V745 HydrophobicContact CE2-CB 3.78Å; F661-V745 HydrophobicContact CE2-CG1 3.86Å; F661-V745 HydrophobicContact CE2-CG2 3.89Å; F661-V745 HydrophobicContact CG-CG2 4.25Å; F661-V745 HydrophobicContact CZ-CB 4.49Å; F661-V745 HydrophobicContact CZ-CG1 4.07Å; L666-V745 HydrophobicContact CD1-CG2 3.78Å; L666-V745 HydrophobicContact CD2-CG2 3.73Å; L666-V745 HydrophobicContact CG-CG2 4.42Å; I698-V745 HydrophobicContact CB-CG1 3.89Å; I698-V745 HydrophobicContact CD1-CG1 3.67Å; I698-V745 HydrophobicContact CG1-CG1 4.36Å; I698-V745 HydrophobicContact CG2-CG1 3.98Å; L732-V745 WeakPolarHBondContact CD1-O 3.33Å; Y733-V745 WeakPolarHBondContact CA-O 3.26Å; Y733-V745 WeakPolarHBondContact CB-O 3.45Å; Y733-V745 HydrophobicContact CD2-CG1 4.45Å; Y733-V745 PolarHBondContact N-O 3.04Å; G734-V745 PolarHBondContact N-O 2.85Å; G734-V745 PolarHBondContact O-N 3.17Å
746	Y	91.4	Very high	86.6	Confident	20 Å²	20	45.3 Å²	45.3	8%	0.078	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	163.5	179.7	-64.4	-86.3	0	0	0	111.6	I698 A699 K701 E717 V730 K731 L732 L744	I698-Y746 WeakPolarHBondContact CA-O 3.44Å; A699-Y746 PolarHBondContact N-O 3.38Å; A699-Y746 PolarHBondContact O-N 2.84Å; K701-Y746 HydrophobicContact CB-CD2 4.46Å; K701-Y746 HydrophobicContact CB-CE2 4.17Å; K701-Y746 HydrophobicContact CD-CE2 4.24Å; E717-Y746 PolarHBondContact OE2-OH 3.48Å; V730-Y746 HydrophobicContact CG1-CD1 3.82Å; V730-Y746 HydrophobicContact CG1-CG 4.3Å; K731-Y746 WeakPolarHBondContact O-CA 3.18Å; L732-Y746 HydrophobicContact CB-CD1 4.01Å; L732-Y746 HydrophobicContact CB-CE1 3.83Å; L732-Y746 HydrophobicContact CD1-CD1 3.97Å; L732-Y746 HydrophobicContact CD1-CD2 4.39Å; L732-Y746 HydrophobicContact CD1-CE1 3.72Å; L732-Y746 HydrophobicContact CD1-CE2 4.15Å; L732-Y746 HydrophobicContact CD1-CG 4.3Å; L732-Y746 HydrophobicContact CD2-CE1 4.4Å; L732-Y746 HydrophobicContact CG-CE1 4.19Å; L744-Y746 HydrophobicContact CB-CD2 4.31Å; L744-Y746 HydrophobicContact CB-CE2 3.55Å; L744-Y746 HydrophobicContact CD1-CE2 4.42Å
747	E	91.5	Very high	86.8	Confident	29 Å²	29	46.2 Å²	46.2	14%	0.136	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	143.2	158.5	66.1	179.3	144	0	0	110.6	V730 K731 Y733 M749 K812	V730-E747 HydrophobicContact CG1-CG 3.88Å; K731-E747 HydrophobicContact CB-CB 4.45Å; K731-E747 HydrophobicContact CB-CG 4.07Å; K731-E747 WeakPolarHBondContact CB-OE1 3.23Å; K731-E747 PolarHBondContact N-OE1 3.44Å; K731-E747 PolarHBondContact O-N 2.69Å; Y733-E747 HydrophobicContact CE2-CB 3.94Å; E747-M749 HydrophobicContact CG-SD 4.04Å; E747-K812 WeakPolarHBondContact OE1-CD 3.13Å; E747-K812 IonicContact OE1-NZ 3.54Å; E747-K812 PolarHBondContact OE1-NZ 2.99Å; E747-K812 IonicContact OE2-NZ 2.84Å; E747-K812 PolarHBondContact OE2-NZ 3.45Å
748	Y	92.8	Very high	87.2	Confident	42 Å²	42	43.3 Å²	43.3	17%	0.165	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-78.1	140.7	174.5	178	-109.3	0	0	0	110.3	L679 K689 I697 E750	L679-Y748 HydrophobicContact CD1-CD2 3.83Å; L679-Y748 HydrophobicContact CD1-CE2 3.6Å; L679-Y748 HydrophobicContact CD2-CE2 3.78Å; L679-Y748 HydrophobicContact CG-CE2 4.34Å; K689-Y748 HydrophobicContact CB-CE2 4.48Å; K689-Y748 HydrophobicContact CD-CD2 4.49Å; K689-Y748 HydrophobicContact CD-CE2 3.92Å; K689-Y748 HydrophobicContact CG-CD2 4.12Å; K689-Y748 HydrophobicContact CG-CE2 3.97Å; I697-Y748 HydrophobicContact CB-CD1 4.47Å; I697-Y748 HydrophobicContact CG2-CD1 3.67Å; I697-Y748 HydrophobicContact CG2-CD2 4.29Å; I697-Y748 HydrophobicContact CG2-CE1 4.39Å; I697-Y748 HydrophobicContact CG2-CG 3.61Å; Y748-E750 HydrophobicContact CD1-CG 4.09Å; Y748-E750 HydrophobicContact CE1-CB 4.3Å; Y748-E750 HydrophobicContact CE1-CG 3.86Å
749	M	93.3	Very high	87.6	Confident	13 Å²	13	42.9 Å²	42.9	6%	0.064	21%	0.207	C	C	.	.			trans	-115.6	105.2	-178.5	-60.1	-61.9	-62.4	0	0	108.9	V730 E747 N751 N752 L804 L805 D806 K812	V730-M749 HydrophobicContact CG2-CG 4.49Å; V730-M749 HydrophobicContact CG2-SD 4.33Å; E747-M749 HydrophobicContact CG-SD 4.04Å; M749-N751 PolarHBondContact O-N 3.32Å; M749-N752 PolarHBondContact O-N 3.4Å; M749-L804 HydrophobicContact CB-CB 3.89Å; M749-L804 HydrophobicContact CB-CD1 4.13Å; M749-L804 HydrophobicContact CE-CB 3.84Å; M749-L804 HydrophobicContact CG-CB 3.69Å; M749-L804 HydrophobicContact CG-CD1 3.65Å; M749-L804 HydrophobicContact CG-CG 4.32Å; M749-L805 VanDerWaalsContact CE-C 3.42Å; M749-D806 HydrophobicContact CE-CB 3.88Å; M749-D806 VanDerWaalsContact CE-N 3.3Å; M749-K812 HydrophobicContact CE-CB 3.83Å; M749-K812 HydrophobicContact CE-CD 3.67Å; M749-K812 HydrophobicContact CE-CG 3.76Å; M749-K812 HydrophobicContact SD-CD 3.93Å
750	E	90.3	Very high	87.9	Confident	84 Å²	84	35.3 Å²	35.3	39%	0.393	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-37.7	-167.3	-66.1	74.5	-161.1	0	0	113.8	Y748 N752 T807	Y748-E750 HydrophobicContact CD1-CG 4.09Å; Y748-E750 HydrophobicContact CE1-CB 4.3Å; Y748-E750 HydrophobicContact CE1-CG 3.86Å; E750-N752 VanDerWaalsContact C-N 3.34Å; E750-T807 VanDerWaalsContact CG-OG1 3.23Å; E750-T807 WeakPolarHBondContact CG-OG1 3.27Å; E750-T807 PolarHBondContact OE2-N 3.34Å; E750-T807 PolarHBondContact OE2-OG1 3.41Å
751	N	90.5	Very high	87.5	Confident	44 Å²	44	38.4 Å²	38.4	24%	0.235	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	9	-174.8	-72	-46.1	0	0	0	113.2	M749 L764 L805 D806 T807 L809	M749-N751 PolarHBondContact O-N 3.32Å; N751-L764 HydrophobicContact CB-CD1 4.49Å; N751-L764 VanDerWaalsContact OD1-CD1 3.26Å; N751-L764 WeakPolarHBondContact OD1-CD1 3.28Å; N751-L805 HydrophobicContact CB-CB 3.7Å; N751-L805 WeakPolarHBondContact CB-O 3.43Å; N751-L805 PolarHBondContact N-O 3.49Å; N751-L805 VanDerWaalsContact N-O 3.08Å; N751-D806 PolarHBondContact ND2-O 2.81Å; N751-T807 PolarHBondContact ND2-O 2.95Å; N751-L809 HydrophobicContact CB-CD2 4.21Å; N751-L809 WeakPolarHBondContact ND2-CD2 3.27Å
752	N	89.5	Confident	86.5	Confident	63 Å²	63	41.8 Å²	41.8	34%	0.337	22%	0.218	S	C	.	.			trans	56.9	-157.4	174.3	-151.2	-41.7	0	0	0	112.3	M749 E750 L756 L804 L805	M749-N752 PolarHBondContact O-N 3.4Å; E750-N752 VanDerWaalsContact C-N 3.34Å; N752-L756 HydrophobicContact CB-CD1 4.14Å; N752-L804 CarbonylContact O-C 3.53Å; N752-L804 WeakPolarHBondContact O-CA 3.31Å; N752-L805 PolarHBondContact O-N 3.28Å
753	S	91.9	Very high	85.2	Confident	11 Å²	11	46.7 Å²	46.7	8%	0.077	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-74.4	148.1	-175.5	68.2	0	0	0	0	113.9	A755 L756 A757 T801 V803	S753-A755 PolarHBondContact O-N 2.87Å; S753-L756 WeakPolarHBondContact O-CB 3.26Å; S753-L756 PolarHBondContact O-N 2.9Å; S753-A757 PolarHBondContact O-N 3.21Å; S753-T801 WeakPolarHBondContact CB-O 3.23Å; S753-V803 CarbonylContact C-O 3.56Å; S753-V803 WeakPolarHBondContact CA-O 3.47Å
754	L	94.1	Very high	84.5	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-58.5	-33.7	174.5	177.7	60.4	0	0	0	112.1	L756 A757 L758 L766 I774 I778 T800 V803 L805 I866	L754-L756 VanDerWaalsContact C-N 3.3Å; L754-L756 PolarHBondContact O-N 3.27Å; L754-A757 PolarHBondContact O-N 2.66Å; L754-A757 VanDerWaalsContact O-N 3.17Å; L754-L758 HydrophobicContact CD1-CD1 3.85Å; L754-L758 HydrophobicContact CD1-CD2 4.48Å; L754-L758 HydrophobicContact CD1-CG 3.82Å; L754-L758 HydrophobicContact CD2-CD1 4.31Å; L754-L758 HydrophobicContact CG-CD1 3.75Å; L754-L758 HydrophobicContact CG-CG 4.17Å; L754-L758 WeakPolarHBondContact O-CB 3.31Å; L754-L758 WeakPolarHBondContact O-CG 3.39Å; L754-L758 PolarHBondContact O-N 3.16Å; L754-L766 HydrophobicContact CD1-CD1 3.85Å; L754-I774 HydrophobicContact CD1-CD1 4.17Å; L754-I774 HydrophobicContact CD1-CG2 3.9Å; L754-I774 HydrophobicContact CD2-CG2 3.72Å; L754-I774 HydrophobicContact CG-CG2 4.46Å; L754-I778 HydrophobicContact CD2-CD1 4.02Å; L754-T800 HydrophobicContact CD2-CG2 4.06Å; L754-T800 HydrophobicContact CG-CG2 4.22Å; L754-T800 PolarHBondContact N-O 2.91Å; L754-V803 HydrophobicContact CB-CB 4.08Å; L754-V803 HydrophobicContact CB-CG1 4.15Å; L754-V803 HydrophobicContact CD2-CB 4.28Å; L754-V803 HydrophobicContact CD2-CG1 4.1Å; L754-V803 PolarHBondContact N-O 3.38Å; L754-L805 HydrophobicContact CD1-CD1 4.32Å; L754-I866 HydrophobicContact CD2-CD1 4.02Å; L754-I866 HydrophobicContact CD2-CG1 3.96Å
755	A	90.6	Very high	84.1	Confident	13 Å²	13	56.7 Å²	56.7	11%	0.107	30%	0.299	C	S	.	.	H	α-helix	trans	-58.9	-40.4	174.6	0	0	0	0	0	112.4	S753 F759 T800 T801	S753-A755 PolarHBondContact O-N 2.87Å; A755-F759 HydrophobicContact CB-CD2 4.17Å; A755-F759 HydrophobicContact CB-CE2 4.3Å; A755-F759 WeakPolarHBondContact O-CB 3.31Å; A755-F759 WeakPolarHBondContact O-CD2 3.37Å; A755-F759 PolarHBondContact O-N 3.14Å; A755-T800 PolarHBondContact N-O 3.11Å; A755-T801 HydrophobicContact CB-CG2 3.79Å
756	L	87.9	Confident	84.1	Confident	74 Å²	74	57 Å²	57	39%	0.387	30%	0.301	S	S	.	.	H	α-helix	trans	-69.6	-36.1	175.6	-71.5	172.8	0	0	0	112	N752 S753 L754 G760	N752-L756 HydrophobicContact CB-CD1 4.14Å; S753-L756 WeakPolarHBondContact O-CB 3.26Å; S753-L756 PolarHBondContact O-N 2.9Å; L754-L756 VanDerWaalsContact C-N 3.3Å; L754-L756 PolarHBondContact O-N 3.27Å; L756-G760 WeakPolarHBondContact O-CA 3.5Å; L756-G760 PolarHBondContact O-N 3.44Å
757	A	89.6	Confident	84.2	Confident	19 Å²	19	60.4 Å²	60.4	16%	0.157	32%	0.321	C	S	.	.	H	α-helix	trans	-72.1	-31.5	177.8	0	0	0	0	0	113.2	S753 L754 L764 L766 L805	S753-A757 PolarHBondContact O-N 3.21Å; L754-A757 PolarHBondContact O-N 2.66Å; L754-A757 VanDerWaalsContact O-N 3.17Å; A757-L764 HydrophobicContact CB-CD2 4.13Å; A757-L766 HydrophobicContact CB-CD1 3.71Å; A757-L766 HydrophobicContact CB-CG 4.16Å; A757-L805 HydrophobicContact CB-CD1 3.88Å
758	L	89.2	Confident	84.3	Confident	17 Å²	17	59.7 Å²	59.7	9%	0.089	32%	0.317	C	S	.	.	H	α-helix	trans	-86.9	-41.8	178.6	-70.6	173.7	0	0	0	113.3	L754 L766 T800 I866	L754-L758 HydrophobicContact CD1-CD1 3.85Å; L754-L758 HydrophobicContact CD1-CD2 4.48Å; L754-L758 HydrophobicContact CD1-CG 3.82Å; L754-L758 HydrophobicContact CD2-CD1 4.31Å; L754-L758 HydrophobicContact CG-CD1 3.75Å; L754-L758 HydrophobicContact CG-CG 4.17Å; L754-L758 WeakPolarHBondContact O-CB 3.31Å; L754-L758 WeakPolarHBondContact O-CG 3.39Å; L754-L758 PolarHBondContact O-N 3.16Å; L758-L766 HydrophobicContact CD2-CD1 4.07Å; L758-L766 HydrophobicContact CG-CD1 4.42Å; L758-T800 HydrophobicContact CD1-CG2 4.14Å; L758-I866 HydrophobicContact CD1-CG1 4.09Å
759	F	84.8	Confident	84.4	Confident	70 Å²	70	60.8 Å²	60.8	31%	0.307	34%	0.335	S	S	.	.	H	α-helix	trans	-114.2	-13.2	-169.6	-43.2	-44.9	0	0	0	114	A755 E865 G869 K870 S871	A755-F759 HydrophobicContact CB-CD2 4.17Å; A755-F759 HydrophobicContact CB-CE2 4.3Å; A755-F759 WeakPolarHBondContact O-CB 3.31Å; A755-F759 WeakPolarHBondContact O-CD2 3.37Å; A755-F759 PolarHBondContact O-N 3.14Å; F759-E865 HydrophobicContact CZ-CB 4.06Å; F759-E865 HydrophobicContact CZ-CG 4.3Å; F759-G869 WeakPolarHBondContact CD1-O 3.4Å; F759-K870 WeakPolarHBondContact CE1-O 3.34Å; F759-S871 VanDerWaalsContact CZ-CA 3.49Å
760	G	72	Confident	84.5	Confident	33 Å²	33	60.6 Å²	60.6	34%	0.34	34%	0.335	S	S	.	.	S	Bend	trans	-74.7	161.2	-177.7	0	0	0	0	0	112.8	L756 N762	L756-G760 WeakPolarHBondContact O-CA 3.5Å; L756-G760 PolarHBondContact O-N 3.44Å; G760-N762 PolarHBondContact O-N 2.78Å
761	Q	64.1	Low	84.8	Confident	206 Å²	206	57.2 Å²	57.2	96%	0.963	32%	0.319	S	S	*	.	S	Bend	trans	-77.6	8.9	171.5	-74	175.3	-23.7	0	0	113.3
762	N	57.9	Low	85.1	Confident	119 Å²	119	56.2 Å²	56.2	64%	0.636	31%	0.313	S	S	*	.	S	Bend	trans	-75.4	160.5	-173.8	-84.7	-4.4	0	0	0	113	G760 L764	G760-N762 PolarHBondContact O-N 2.78Å; N762-L764 PolarHBondContact O-N 3.47Å
763	S	57.6	Low	85.4	Confident	122 Å²	122	57.7 Å²	57.7	85%	0.853	32%	0.316	S	S	*	.	S	Bend	trans	-68.5	-9.2	-174.7	51.9	0	0	0	0	116	K765	S763-K765 PolarHBondContact O-N 3.31Å; S763-K765 VanDerWaalsContact O-N 3.07Å
764	L	75.6	Confident	85.7	Confident	51 Å²	51	57.2 Å²	57.2	27%	0.267	31%	0.313	S	S	.	.			trans	-85.4	83.3	-171.9	-157.2	120.9	0	0	0	110.6	N751 A757 N762 L766 L809	N751-L764 HydrophobicContact CB-CD1 4.49Å; N751-L764 VanDerWaalsContact OD1-CD1 3.26Å; N751-L764 WeakPolarHBondContact OD1-CD1 3.28Å; A757-L764 HydrophobicContact CB-CD2 4.13Å; N762-L764 PolarHBondContact O-N 3.47Å; L764-L766 HydrophobicContact CD2-CD2 3.57Å; L764-L766 HydrophobicContact CD2-CG 4.19Å; L764-L766 PolarHBondContact O-N 3.19Å; L764-L809 HydrophobicContact CD1-CD2 4.26Å; L764-L809 HydrophobicContact CD2-CD2 3.63Å; L764-L809 HydrophobicContact CG-CD2 4.45Å
765	K	80	Confident	85.9	Confident	159 Å²	159	57.1 Å²	57.1	69%	0.691	31%	0.313	S	S	*	.			trans	-72.1	108.5	174.3	-71.9	-170.4	175.7	-169.4	0	110	S763 D767	S763-K765 PolarHBondContact O-N 3.31Å; S763-K765 VanDerWaalsContact O-N 3.07Å; K765-D767 PolarHBondContact O-N 3.03Å
766	L	91.4	Very high	86.2	Confident	6 Å²	6	57.1 Å²	57.1	3%	0.031	31%	0.311	C	S	.	.			trans	-76.9	106.8	171.6	-63.4	178.5	0	0	0	110	L754 A757 L758 L764 A770 R771 I774 L809	L754-L766 HydrophobicContact CD1-CD1 3.85Å; A757-L766 HydrophobicContact CB-CD1 3.71Å; A757-L766 HydrophobicContact CB-CG 4.16Å; L758-L766 HydrophobicContact CD2-CD1 4.07Å; L758-L766 HydrophobicContact CG-CD1 4.42Å; L764-L766 HydrophobicContact CD2-CD2 3.57Å; L764-L766 HydrophobicContact CD2-CG 4.19Å; L764-L766 PolarHBondContact O-N 3.19Å; L766-A770 HydrophobicContact CD2-CB 4.14Å; L766-R771 HydrophobicContact CB-CG 3.99Å; L766-R771 PolarHBondContact O-NE 2.65Å; L766-I774 HydrophobicContact CD1-CD1 3.85Å; L766-I774 HydrophobicContact CD2-CD1 3.98Å; L766-L809 HydrophobicContact CD2-CD1 3.97Å; L766-L809 HydrophobicContact CD2-CD2 4.29Å
767	D	92.7	Very high	86.7	Confident	93 Å²	93	53.8 Å²	53.8	50%	0.497	29%	0.294	S	S	.	.			trans	-66.8	173.3	169.8	72	2.8	0	0	0	111.6	K765 A769 A770 R771	K765-D767 PolarHBondContact O-N 3.03Å; D767-A769 VanDerWaalsContact C-N 3.33Å; D767-A769 PolarHBondContact O-N 2.86Å; D767-A769 PolarHBondContact OD1-N 3.19Å; D767-A770 PolarHBondContact O-N 2.83Å; D767-A770 WeakPolarHBondContact OD1-CB 3Å; D767-A770 PolarHBondContact OD1-N 2.75Å; D767-R771 WeakPolarHBondContact O-CG 3.26Å; D767-R771 PolarHBondContact O-N 3.35Å
768	W	95.2	Very high	87.1	Confident	13 Å²	13	52.9 Å²	52.9	5%	0.049	29%	0.287	C	S	.	.	H	α-helix	trans	-61.5	-41.3	-177.6	-179.6	-102	0	0	0	112.8	A770 R771 Q772 V867 L905 F909 N910 E913 A914 M917	W768-A770 VanDerWaalsContact C-N 3.35Å; W768-A770 PolarHBondContact O-N 3.27Å; W768-R771 PolarHBondContact O-N 3Å; W768-Q772 WeakPolarHBondContact O-CB 3.31Å; W768-Q772 PolarHBondContact O-N 2.87Å; W768-V867 HydrophobicContact CH2-CG2 4.18Å; W768-V867 HydrophobicContact CZ3-CG2 4.09Å; W768-L905 HydrophobicContact CE3-CD1 3.84Å; W768-L905 HydrophobicContact CZ3-CD1 4.41Å; W768-F909 HydrophobicContact CB-CB 3.69Å; W768-F909 HydrophobicContact CD2-CB 3.52Å; W768-F909 HydrophobicContact CE3-CB 3.65Å; W768-F909 HydrophobicContact CE3-CG 4.48Å; W768-F909 HydrophobicContact CG-CB 3.5Å; W768-F909 VanDerWaalsContact CG-CB 3.5Å; W768-N910 VanDerWaalsContact CD1-N 3.34Å; W768-E913 HydrophobicContact CZ2-CB 3.74Å; W768-E913 PolarHBondContact NE1-OE2 2.75Å; W768-A914 HydrophobicContact CH2-CB 3.53Å; W768-A914 HydrophobicContact CZ2-CB 3.8Å; W768-A914 VanDerWaalsContact CZ2-N 3.33Å; W768-A914 HydrophobicContact CZ3-CB 4.09Å; W768-M917 HydrophobicContact CH2-CE 4.06Å; W768-M917 HydrophobicContact CH2-SD 4.43Å; W768-M917 HydrophobicContact CZ2-CE 4.39Å
769	A	94.7	Very high	87.5	Confident	65 Å²	65	52 Å²	52	54%	0.537	28%	0.282	S	S	.	.	H	α-helix	trans	-61.9	-43.4	-179.2	0	0	0	0	0	111.4	D767 K773	D767-A769 VanDerWaalsContact C-N 3.33Å; D767-A769 PolarHBondContact O-N 2.86Å; D767-A769 PolarHBondContact OD1-N 3.19Å; A769-K773 VanDerWaalsContact O-CB 3.27Å; A769-K773 WeakPolarHBondContact O-CB 3.46Å; A769-K773 PolarHBondContact O-N 2.8Å
770	A	95	Very high	88.1	Confident	10 Å²	10	53.9 Å²	53.9	8%	0.083	29%	0.287	C	S	.	.	H	α-helix	trans	-63.6	-43.8	174.2	0	0	0	0	0	111.7	L766 D767 W768 Q772 K773 I774 L809	L766-A770 HydrophobicContact CD2-CB 4.14Å; D767-A770 PolarHBondContact O-N 2.83Å; D767-A770 WeakPolarHBondContact OD1-CB 3Å; D767-A770 PolarHBondContact OD1-N 2.75Å; W768-A770 VanDerWaalsContact C-N 3.35Å; W768-A770 PolarHBondContact O-N 3.27Å; A770-Q772 PolarHBondContact O-N 3.39Å; A770-K773 PolarHBondContact O-N 3.37Å; A770-I774 WeakPolarHBondContact O-CB 3.41Å; A770-I774 WeakPolarHBondContact O-CD1 3.4Å; A770-I774 WeakPolarHBondContact O-CG1 3.38Å; A770-I774 PolarHBondContact O-N 2.76Å; A770-L809 HydrophobicContact CB-CD1 4.2Å
771	R	96	Very high	89.2	Confident	12 Å²	12	52.3 Å²	52.3	5%	0.045	27%	0.271	C	S	.	.	H	α-helix	trans	-61.3	-44.9	177.5	-72.5	-179.9	-167.4	-140.5	7.4	112.7	L766 D767 W768 I774 C775 I866 D902	L766-R771 HydrophobicContact CB-CG 3.99Å; L766-R771 PolarHBondContact O-NE 2.65Å; D767-R771 WeakPolarHBondContact O-CG 3.26Å; D767-R771 PolarHBondContact O-N 3.35Å; W768-R771 PolarHBondContact O-N 3Å; R771-I774 PolarHBondContact O-N 3.26Å; R771-C775 WeakPolarHBondContact O-CB 3.35Å; R771-C775 PolarHBondContact O-N 3.44Å; R771-I866 HydrophobicContact CB-CG2 3.73Å; R771-I866 HydrophobicContact CG-CG2 4.13Å; R771-I866 PolarHBondContact NH1-O 2.9Å; R771-D902 IonicContact CZ-OD2 3.38Å; R771-D902 VanDerWaalsContact NH1-CB 3.25Å; R771-D902 IonicContact NH1-OD2 2.8Å; R771-D902 PolarHBondContact NH1-OD2 2.94Å; R771-D902 IonicContact NH2-OD2 3.3Å; R771-D902 PolarHBondContact NH2-OD2 2.9Å
772	Q	96.7	Very high	90.8	Very high	24 Å²	24	42.5 Å²	42.5	11%	0.112	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-46.7	176.1	-179.1	64.5	4.5	0	0	110.8	W768 A770 I774 C775 V776 L942	W768-Q772 WeakPolarHBondContact O-CB 3.31Å; W768-Q772 PolarHBondContact O-N 2.87Å; A770-Q772 PolarHBondContact O-N 3.39Å; Q772-I774 VanDerWaalsContact C-N 3.33Å; Q772-I774 PolarHBondContact O-N 2.68Å; Q772-C775 PolarHBondContact O-N 2.77Å; Q772-V776 WeakPolarHBondContact O-CG2 3.33Å; Q772-V776 PolarHBondContact O-N 3.12Å; Q772-L942 PolarHBondContact NE2-O 3.23Å
773	K	97	Very high	92.5	Very high	94 Å²	94	39.4 Å²	39.4	41%	0.409	21%	0.207	S	C	.	.	H	α-helix	trans	-57.2	-44.4	175.7	-176.8	-173	176.9	-165.5	0	111.9	A769 A770 G777 D808 N810	A769-K773 VanDerWaalsContact O-CB 3.27Å; A769-K773 WeakPolarHBondContact O-CB 3.46Å; A769-K773 PolarHBondContact O-N 2.8Å; A770-K773 PolarHBondContact O-N 3.37Å; K773-G777 PolarHBondContact O-N 3.22Å; K773-D808 PolarHBondContact NZ-O 3.49Å; K773-N810 WeakPolarHBondContact CE-OD1 3.44Å; K773-N810 PolarHBondContact NZ-OD1 2.95Å
774	I	97.8	Very high	94.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.4	-50	177.6	-75.2	164.4	0	0	0	110.8	L754 L766 A770 R771 Q772 V776 G777 I778 L805 A811 I866	L754-I774 HydrophobicContact CD1-CD1 4.17Å; L754-I774 HydrophobicContact CD1-CG2 3.9Å; L754-I774 HydrophobicContact CD2-CG2 3.72Å; L754-I774 HydrophobicContact CG-CG2 4.46Å; L766-I774 HydrophobicContact CD1-CD1 3.85Å; L766-I774 HydrophobicContact CD2-CD1 3.98Å; A770-I774 WeakPolarHBondContact O-CB 3.41Å; A770-I774 WeakPolarHBondContact O-CD1 3.4Å; A770-I774 WeakPolarHBondContact O-CG1 3.38Å; A770-I774 PolarHBondContact O-N 2.76Å; R771-I774 PolarHBondContact O-N 3.26Å; Q772-I774 VanDerWaalsContact C-N 3.33Å; Q772-I774 PolarHBondContact O-N 2.68Å; I774-V776 PolarHBondContact O-N 2.88Å; I774-G777 PolarHBondContact O-N 2.94Å; I774-I778 HydrophobicContact CG2-CD1 3.97Å; I774-I778 WeakPolarHBondContact O-CG1 3.29Å; I774-I778 PolarHBondContact O-N 2.83Å; I774-L805 HydrophobicContact CD1-CD1 4.17Å; I774-L805 HydrophobicContact CD1-CD2 3.8Å; I774-L805 HydrophobicContact CG1-CD2 3.88Å; I774-A811 HydrophobicContact CB-CB 4.28Å; I774-A811 HydrophobicContact CG1-CB 4.35Å; I774-A811 HydrophobicContact CG2-CB 3.96Å; I774-I866 HydrophobicContact CG2-CD1 4.09Å
775	C	98.1	Very high	94.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.1	-45.9	-179.1	-171.7	0	0	0	0	111.8	R771 Q772 I778 A779 I866 M917	R771-C775 WeakPolarHBondContact O-CB 3.35Å; R771-C775 PolarHBondContact O-N 3.44Å; Q772-C775 PolarHBondContact O-N 2.77Å; C775-I778 PolarHBondContact O-N 3.06Å; C775-A779 PolarHBondContact O-N 3.45Å; C775-A779 VanDerWaalsContact O-N 3.08Å; C775-I866 HydrophobicContact CB-CD1 3.96Å; C775-I866 HydrophobicContact CB-CG2 4.47Å; C775-M917 HydrophobicContact CB-CE 3.55Å; C775-M917 HydrophobicContact CB-SD 4.17Å
776	V	97.9	Very high	95.5	Very high	13 Å²	13	25.8 Å²	25.8	8%	0.079	13%	0.131	C	C	.	.	H	α-helix	trans	-64.9	-39.9	175.9	173.7	0	0	0	0	110.9	Q772 I774 I778 A779 R780 L942 E943	Q772-V776 WeakPolarHBondContact O-CG2 3.33Å; Q772-V776 PolarHBondContact O-N 3.12Å; I774-V776 PolarHBondContact O-N 2.88Å; V776-I778 PolarHBondContact O-N 2.61Å; V776-A779 PolarHBondContact O-N 3.08Å; V776-R780 HydrophobicContact CG1-CG 4.4Å; V776-R780 WeakPolarHBondContact O-CG 3.49Å; V776-R780 PolarHBondContact O-N 3.14Å; V776-L942 HydrophobicContact CG2-CB 4.11Å; V776-E943 HydrophobicContact CG1-CG 4.38Å
777	G	97.8	Very high	94.9	Very high	3 Å²	3	29.1 Å²	29.1	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-59.9	-44.9	176	0	0	0	0	0	113.2	N728 K773 I774 A779 R780 G781	N728-G777 WeakPolarHBondContact CB-O 3.2Å; N728-G777 WeakPolarHBondContact ND2-CA 3.46Å; N728-G777 PolarHBondContact OD1-O 3.47Å; K773-G777 PolarHBondContact O-N 3.22Å; I774-G777 PolarHBondContact O-N 2.94Å; G777-A779 VanDerWaalsContact C-N 3.33Å; G777-A779 PolarHBondContact O-N 2.82Å; G777-R780 PolarHBondContact O-N 3.27Å; G777-G781 PolarHBondContact O-N 2.9Å
778	I	98.2	Very high	93.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.9	-44.3	174.8	-60.8	160.4	0	0	0	110.1	L754 I774 C775 V776 R780 G781 L782 V803 A811 I813 F859 V862 I866	L754-I778 HydrophobicContact CD2-CD1 4.02Å; I774-I778 HydrophobicContact CG2-CD1 3.97Å; I774-I778 WeakPolarHBondContact O-CG1 3.29Å; I774-I778 PolarHBondContact O-N 2.83Å; C775-I778 PolarHBondContact O-N 3.06Å; V776-I778 PolarHBondContact O-N 2.61Å; I778-R780 PolarHBondContact O-N 2.81Å; I778-G781 PolarHBondContact O-N 3.48Å; I778-L782 HydrophobicContact CG2-CD1 4.36Å; I778-L782 PolarHBondContact O-N 3.33Å; I778-V803 HydrophobicContact CD1-CG1 3.93Å; I778-V803 HydrophobicContact CD1-CG2 4.03Å; I778-V803 HydrophobicContact CG1-CG1 3.87Å; I778-V803 HydrophobicContact CG1-CG2 4.12Å; I778-A811 HydrophobicContact CG1-CB 3.81Å; I778-I813 HydrophobicContact CG2-CD1 4.2Å; I778-I813 HydrophobicContact CG2-CG1 4.39Å; I778-F859 HydrophobicContact CB-CD2 4.46Å; I778-F859 HydrophobicContact CB-CE2 4.21Å; I778-F859 HydrophobicContact CG2-CD2 3.8Å; I778-F859 HydrophobicContact CG2-CE2 4.06Å; I778-V862 HydrophobicContact CD1-CG1 3.97Å; I778-I866 HydrophobicContact CD1-CD1 3.84Å
779	A	97.8	Very high	92.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.7	-44.3	180	0	0	0	0	0	112.1	C775 V776 G777 L782 E783 F859 M935 V939 L942	C775-A779 PolarHBondContact O-N 3.45Å; C775-A779 VanDerWaalsContact O-N 3.08Å; V776-A779 PolarHBondContact O-N 3.08Å; G777-A779 VanDerWaalsContact C-N 3.33Å; G777-A779 PolarHBondContact O-N 2.82Å; A779-L782 PolarHBondContact O-N 2.99Å; A779-E783 WeakPolarHBondContact O-CB 3.27Å; A779-E783 PolarHBondContact O-N 3.07Å; A779-F859 HydrophobicContact CB-CE1 4.5Å; A779-F859 HydrophobicContact CB-CE2 3.86Å; A779-F859 HydrophobicContact CB-CZ 3.75Å; A779-M935 HydrophobicContact CB-CE 3.75Å; A779-V939 HydrophobicContact CB-CG2 3.59Å; A779-L942 HydrophobicContact CB-CD1 4Å
780	R	96.9	Very high	91.2	Very high	109 Å²	109	29.2 Å²	29.2	41%	0.411	17%	0.169	S	C	.	.	H	α-helix	trans	-64.1	-38.2	174.5	-71.9	176.7	-179.1	168.5	-4.9	112.6	V776 G777 I778 E783 F784 V939 E943	V776-R780 HydrophobicContact CG1-CG 4.4Å; V776-R780 WeakPolarHBondContact O-CG 3.49Å; V776-R780 PolarHBondContact O-N 3.14Å; G777-R780 PolarHBondContact O-N 3.27Å; I778-R780 PolarHBondContact O-N 2.81Å; R780-E783 PolarHBondContact O-N 2.98Å; R780-F784 PolarHBondContact O-N 2.93Å; R780-V939 HydrophobicContact CG-CG1 4.16Å; R780-V939 HydrophobicContact CG-CG2 4.12Å; R780-E943 IonicContact CZ-OE1 3.65Å; R780-E943 IonicContact NE-OE1 2.67Å; R780-E943 PolarHBondContact NE-OE1 3.22Å; R780-E943 IonicContact NH2-OE1 3.99Å; R780-E943 PolarHBondContact NH2-OE1 3.41Å
781	G	95.2	Very high	89.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.6	-45	173.4	0	0	0	0	0	112.3	G777 I778 F784 L785	G777-G781 PolarHBondContact O-N 2.9Å; I778-G781 PolarHBondContact O-N 3.48Å; G781-F784 PolarHBondContact O-N 2.78Å; G781-L785 WeakPolarHBondContact O-CG 3.09Å; G781-L785 PolarHBondContact O-N 3.23Å
782	L	96.4	Very high	89.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-72.3	-37.8	177	-69.6	175.2	0	0	0	113.2	I778 A779 F784 L785 H786 I798 I813 D855 F859 M935	I778-L782 HydrophobicContact CG2-CD1 4.36Å; I778-L782 PolarHBondContact O-N 3.33Å; A779-L782 PolarHBondContact O-N 2.99Å; L782-F784 VanDerWaalsContact C-N 3.28Å; L782-F784 PolarHBondContact O-N 3.35Å; L782-L785 HydrophobicContact CD2-CD1 4.2Å; L782-L785 PolarHBondContact O-N 2.81Å; L782-L785 VanDerWaalsContact O-N 3.11Å; L782-H786 WeakPolarHBondContact O-CB 3.36Å; L782-H786 PolarHBondContact O-CD2 3.08Å; L782-H786 VanDerWaalsContact O-CG 3.23Å; L782-H786 PolarHBondContact O-N 2.89Å; L782-I798 HydrophobicContact CD2-CD1 3.71Å; L782-I798 HydrophobicContact CD2-CG1 3.91Å; L782-I813 HydrophobicContact CD2-CD1 3.9Å; L782-I813 HydrophobicContact CG-CD1 3.77Å; L782-D855 HydrophobicContact CD2-CB 4.23Å; L782-F859 HydrophobicContact CD1-CB 3.71Å; L782-F859 HydrophobicContact CD1-CD2 4.03Å; L782-F859 HydrophobicContact CD1-CG 4.12Å; L782-M935 HydrophobicContact CB-CB 4.35Å; L782-M935 HydrophobicContact CB-CE 3.96Å; L782-M935 HydrophobicContact CB-CG 3.79Å; L782-M935 HydrophobicContact CB-SD 4.23Å; L782-M935 HydrophobicContact CD1-CE 4Å; L782-M935 HydrophobicContact CD1-SD 4.07Å
783	E	95.1	Very high	88.6	Confident	54 Å²	54	37.7 Å²	37.7	25%	0.252	20%	0.203	S	C	.	.	H	α-helix	trans	-55.2	-46.3	170.9	171.4	177.9	-140.9	0	0	110.8	A779 R780 L785 H786 D787 G788 M935 S936 V939	A779-E783 WeakPolarHBondContact O-CB 3.27Å; A779-E783 PolarHBondContact O-N 3.07Å; R780-E783 PolarHBondContact O-N 2.98Å; E783-L785 VanDerWaalsContact C-N 3.32Å; E783-L785 PolarHBondContact O-N 3.27Å; E783-H786 PolarHBondContact O-N 3.16Å; E783-D787 PolarHBondContact O-N 2.99Å; E783-G788 PolarHBondContact O-N 3.07Å; E783-M935 HydrophobicContact CB-CB 4.11Å; E783-S936 WeakPolarHBondContact CG-OG 3.33Å; E783-S936 VanDerWaalsContact OE1-CA 3.31Å; E783-S936 WeakPolarHBondContact OE1-CA 3.28Å; E783-S936 VanDerWaalsContact OE1-CB 3.22Å; E783-S936 WeakPolarHBondContact OE1-CB 3.41Å; E783-S936 PolarHBondContact OE1-OG 2.85Å; E783-V939 HydrophobicContact CB-CG2 4.36Å
784	F	92.6	Very high	88.2	Confident	39 Å²	39	33.2 Å²	33.2	17%	0.171	18%	0.184	C	C	.	.	I	π-helix	trans	-59.3	-43.1	175.3	177.5	-96.1	0	0	0	111.7	L724 H726 L729 R780 G781 L782 H786 G788 S789	L724-F784 HydrophobicContact CD2-CD1 4.44Å; L724-F784 HydrophobicContact CD2-CE1 3.86Å; H726-F784 HydrophobicContact CB-CD1 3.92Å; H726-F784 HydrophobicContact CB-CE1 4.08Å; H726-F784 HydrophobicContact CB-CG 4.13Å; H726-F784 HydrophobicContact CB-CZ 4.48Å; H726-F784 AromaticContact CD2-CD2 3.77Å; H726-F784 AromaticContact CD2-CG 3.71Å; H726-F784 AromaticContact CG-CG 3.92Å; L729-F784 HydrophobicContact CD1-CD1 3.7Å; L729-F784 HydrophobicContact CD1-CE1 4.02Å; R780-F784 PolarHBondContact O-N 2.93Å; G781-F784 PolarHBondContact O-N 2.78Å; L782-F784 VanDerWaalsContact C-N 3.28Å; L782-F784 PolarHBondContact O-N 3.35Å; F784-H786 PolarHBondContact O-N 2.9Å; F784-G788 CarbonylContact O-C 3.56Å; F784-G788 WeakPolarHBondContact O-CA 3.47Å; F784-G788 PolarHBondContact O-N 3.07Å; F784-S789 WeakPolarHBondContact O-CB 3.09Å; F784-S789 PolarHBondContact O-N 3.37Å; F784-S789 PolarHBondContact O-OG 3.1Å
785	L	90.9	Very high	88	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.01	18%	0.184	C	C	.	.	I	π-helix	trans	-66.1	-36.3	177.7	-65.1	176.5	0	0	0	113.1	L724 L729 G781 L782 E783 S789 R792 M793 H795 F816	L724-L785 HydrophobicContact CD1-CD2 4.06Å; L724-L785 HydrophobicContact CD2-CD2 3.38Å; L724-L785 HydrophobicContact CG-CD2 4.4Å; L729-L785 HydrophobicContact CD1-CD2 3.81Å; L729-L785 HydrophobicContact CD1-CG 4.32Å; L729-L785 HydrophobicContact CD2-CD1 4.26Å; L729-L785 HydrophobicContact CD2-CG 4.3Å; G781-L785 WeakPolarHBondContact O-CG 3.09Å; G781-L785 PolarHBondContact O-N 3.23Å; L782-L785 HydrophobicContact CD2-CD1 4.2Å; L782-L785 PolarHBondContact O-N 2.81Å; L782-L785 VanDerWaalsContact O-N 3.11Å; E783-L785 VanDerWaalsContact C-N 3.32Å; E783-L785 PolarHBondContact O-N 3.27Å; L785-S789 PolarHBondContact O-OG 2.87Å; L785-R792 CarbonylContact O-C 3.49Å; L785-M793 HydrophobicContact CB-CB 4.45Å; L785-M793 HydrophobicContact CD2-CB 4.42Å; L785-M793 HydrophobicContact CD2-CE 4.29Å; L785-M793 PolarHBondContact O-N 2.93Å; L785-H795 HydrophobicContact CD1-CB 4.45Å; L785-F816 HydrophobicContact CD1-CE1 3.91Å; L785-F816 HydrophobicContact CD2-CE1 4.09Å
786	H	91.4	Very high	87.6	Confident	5 Å²	5	33.8 Å²	33.8	2%	0.023	19%	0.186	C	C	.	.	I	π-helix	trans	-84.4	-40.7	-173.6	-64.8	179.3	0	0	0	112.5	L782 E783 F784 R792 M793 E852 D855 M935	L782-H786 WeakPolarHBondContact O-CB 3.36Å; L782-H786 PolarHBondContact O-CD2 3.08Å; L782-H786 VanDerWaalsContact O-CG 3.23Å; L782-H786 PolarHBondContact O-N 2.89Å; E783-H786 PolarHBondContact O-N 3.16Å; F784-H786 PolarHBondContact O-N 2.9Å; H786-R792 VanDerWaalsContact O-CD 3.31Å; H786-R792 WeakPolarHBondContact O-CD 3.27Å; H786-R792 WeakPolarHBondContact O-CG 3.29Å; H786-R792 PolarHBondContact O-NE 3.1Å; H786-M793 PolarHBondContact CD2-O 3.13Å; H786-M793 VanDerWaalsContact CD2-O 3.23Å; H786-E852 HydrophobicContact CB-CB 4.3Å; H786-E852 PolarHBondContact CE1-O 3.32Å; H786-E852 VanDerWaalsContact CE1-O 3.23Å; H786-D855 IonicContact CE1-OD2 2.74Å; H786-D855 IonicContact NE2-OD2 3.64Å; H786-D855 PolarHBondContact NE2-OD2 3.03Å; H786-M935 WeakPolarHBondContact ND1-CG 3.14Å
787	D	80.5	Confident	87.3	Confident	76 Å²	76	33.4 Å²	33.4	41%	0.406	18%	0.184	S	C	.	.	I	π-helix	trans	-128.3	-26.3	-170.7	-71.5	-49.5	0	0	0	114.1	E783 R792	E783-D787 PolarHBondContact O-N 2.99Å; D787-R792 IonicContact OD1-CZ 2.69Å; D787-R792 IonicContact OD1-NH2 3.29Å; D787-R792 PolarHBondContact OD1-NH2 3.34Å
788	G	69.5	Low	87.2	Confident	49 Å²	49	33.3 Å²	33.3	51%	0.505	18%	0.183	S	C	.	.	I	π-helix	trans	-92.3	-21.5	-171.7	0	0	0	0	0	116.6	E783 F784	E783-G788 PolarHBondContact O-N 3.07Å; F784-G788 CarbonylContact O-C 3.56Å; F784-G788 WeakPolarHBondContact O-CA 3.47Å; F784-G788 PolarHBondContact O-N 3.07Å
789	S	67.2	Low	87	Confident	13 Å²	13	34.6 Å²	34.6	9%	0.091	19%	0.188	C	C	.	.	S	Bend	trans	-87.5	149	-178.9	53.2	0	0	0	0	111.8	F784 L785 M791	F784-S789 WeakPolarHBondContact O-CB 3.09Å; F784-S789 PolarHBondContact O-N 3.37Å; F784-S789 PolarHBondContact O-OG 3.1Å; L785-S789 PolarHBondContact O-OG 2.87Å; S789-M791 WeakPolarHBondContact CB-O 3.3Å; S789-M791 PolarHBondContact O-N 2.96Å; S789-M791 PolarHBondContact OG-O 3.21Å
790	A	66.4	Low	86.8	Confident	111 Å²	111	34.7 Å²	34.7	92%	0.917	19%	0.189	S	C	*	.	S	Bend	trans	-55.9	-26	178.1	0	0	0	0	0	113.2
791	M	69.3	Low	86.5	Confident	92 Å²	92	32.8 Å²	32.8	45%	0.453	19%	0.189	S	C	.	.	S	Bend	trans	-122.3	125.7	169.8	-51.7	-178.1	-142.2	0	0	108.6	S789 M793 L821	S789-M791 WeakPolarHBondContact CB-O 3.3Å; S789-M791 PolarHBondContact O-N 2.96Å; S789-M791 PolarHBondContact OG-O 3.21Å; M791-M793 WeakPolarHBondContact O-CE 3.38Å; M791-L821 HydrophobicContact CB-CD2 3.56Å; M791-L821 HydrophobicContact CG-CD2 4.34Å; M791-L821 HydrophobicContact SD-CD1 4.34Å; M791-L821 HydrophobicContact SD-CD2 3.86Å
792	R	79.8	Confident	86.4	Confident	119 Å²	119	33.5 Å²	33.5	45%	0.449	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	138.5	176.8	-58.7	-174.6	165.6	-177.8	-12.5	109.9	L785 H786 D787 L821 H822	L785-R792 CarbonylContact O-C 3.49Å; H786-R792 VanDerWaalsContact O-CD 3.31Å; H786-R792 WeakPolarHBondContact O-CD 3.27Å; H786-R792 WeakPolarHBondContact O-CG 3.29Å; H786-R792 PolarHBondContact O-NE 3.1Å; D787-R792 IonicContact OD1-CZ 2.69Å; D787-R792 IonicContact OD1-NH2 3.29Å; D787-R792 PolarHBondContact OD1-NH2 3.34Å; R792-L821 CarbonylContact O-C 3.55Å; R792-L821 WeakPolarHBondContact O-CA 3.29Å; R792-H822 HydrophobicContact CB-CB 4.2Å; R792-H822 PolarHBondContact O-N 3.19Å
793	M	85.1	Confident	86.4	Confident	12 Å²	12	33.5 Å²	33.5	6%	0.059	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	141.8	-171.3	-76.4	-179.8	-79.8	0	0	112.1	M720 L724 L785 H786 M791 R820 L821	M720-M793 HydrophobicContact CE-CE 4.23Å; M720-M793 HydrophobicContact CE-SD 3.21Å; M720-M793 WeakPolarHBondContact CE-SD 3.27Å; M720-M793 HydrophobicContact SD-SD 3.98Å; L724-M793 HydrophobicContact CD2-CE 3.33Å; L724-M793 HydrophobicContact CD2-SD 4.38Å; L724-M793 HydrophobicContact CG-CE 4.13Å; L785-M793 HydrophobicContact CB-CB 4.45Å; L785-M793 HydrophobicContact CD2-CB 4.42Å; L785-M793 HydrophobicContact CD2-CE 4.29Å; L785-M793 PolarHBondContact O-N 2.93Å; H786-M793 PolarHBondContact CD2-O 3.13Å; H786-M793 VanDerWaalsContact CD2-O 3.23Å; M791-M793 WeakPolarHBondContact O-CE 3.38Å; M793-R820 CarbonylContact C-O 3.57Å; M793-R820 WeakPolarHBondContact CA-O 3.47Å; M793-L821 HydrophobicContact CG-CD2 3.5Å; M793-L821 VanDerWaalsContact CG-CD2 3.5Å; M793-L821 HydrophobicContact CG-CG 4.41Å; M793-L821 HydrophobicContact SD-CD2 3.86Å
794	V	89.3	Confident	86.4	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.9	175	-169.6	0	0	0	0	108.9	R796 A819 R820 H822 I829 L850 E852 D855	V794-R796 HydrophobicContact CG1-CG 4.04Å; V794-A819 CarbonylContact O-C 3.53Å; V794-A819 WeakPolarHBondContact O-CA 3.3Å; V794-R820 PolarHBondContact N-O 3.12Å; V794-R820 PolarHBondContact O-N 3.05Å; V794-H822 HydrophobicContact CG2-CB 4.4Å; V794-I829 HydrophobicContact CG2-CD1 4.19Å; V794-L850 HydrophobicContact CB-CD2 4.17Å; V794-L850 HydrophobicContact CB-CG 4.43Å; V794-L850 HydrophobicContact CG1-CD1 3.84Å; V794-L850 HydrophobicContact CG1-CD2 4.08Å; V794-L850 HydrophobicContact CG1-CG 3.95Å; V794-E852 HydrophobicContact CG2-CB 4.41Å; V794-D855 WeakPolarHBondContact CA-OD2 3.44Å; V794-D855 WeakPolarHBondContact CG1-OD2 3.21Å
795	H	91.9	Very high	86.5	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	18%	0.182	C	C	.	.			trans	-76.6	-42.3	-172.8	-172.7	-56.9	0	0	0	113.3	L785 D797 I798 I813 S814 D815 F816 D855	L785-H795 HydrophobicContact CD1-CB 4.45Å; H795-D797 VanDerWaalsContact C-N 3.28Å; H795-D797 PolarHBondContact ND1-N 3.46Å; H795-D797 PolarHBondContact O-N 3.22Å; H795-I798 HydrophobicContact CB-CD1 3.72Å; H795-I798 HydrophobicContact CB-CG1 3.98Å; H795-I798 VanDerWaalsContact CG-CD1 3.4Å; H795-I813 WeakPolarHBondContact CD2-CG2 3.25Å; H795-I813 VanDerWaalsContact NE2-CG2 3.33Å; H795-I813 WeakPolarHBondContact NE2-CG2 3.38Å; H795-S814 PolarHBondContact CE1-O 2.95Å; H795-S814 PolarHBondContact NE2-O 3.45Å; H795-D815 PolarHBondContact CE1-O 3.05Å; H795-D815 PolarHBondContact NE2-O 2.86Å; H795-F816 AromaticContact CD2-CD1 3.83Å; H795-F816 AromaticContact CD2-CE1 3.73Å; H795-D855 PolarHBondContact N-OD1 3.37Å; H795-D855 PolarHBondContact N-OD2 2.97Å
796	R	91.1	Very high	86.6	Confident	10 Å²	10	31.7 Å²	31.7	4%	0.038	19%	0.187	C	C	.	.	S	Bend	trans	72.1	-5.5	175	-53	165.7	56.7	-134.1	-15.1	118.3	V794 L818 R820 K832 A834 Y844 L850 D855	V794-R796 HydrophobicContact CG1-CG 4.04Å; R796-L818 VanDerWaalsContact CD-O 3.26Å; R796-L818 WeakPolarHBondContact CD-O 3.25Å; R796-L818 PolarHBondContact NH1-O 3.42Å; R796-R820 VanDerWaalsContact CZ-CZ 3.46Å; R796-K832 PolarHBondContact NH2-O 3.48Å; R796-A834 PolarHBondContact NH2-O 3.25Å; R796-Y844 PolarHBondContact NE-OH 3.01Å; R796-Y844 VanDerWaalsContact NE-OH 3.15Å; R796-Y844 PolarHBondContact NH2-OH 3.35Å; R796-L850 HydrophobicContact CG-CD1 3.74Å; R796-L850 HydrophobicContact CG-CD2 3.53Å; R796-L850 HydrophobicContact CG-CG 4.26Å; R796-D855 WeakPolarHBondContact CA-OD1 3.16Å; R796-D855 PolarHBondContact N-OD1 3.04Å
797	D	91.9	Very high	86.6	Confident	5 Å²	5	35.7 Å²	35.7	3%	0.027	21%	0.211	C	C	.	.			trans	-140.9	43.2	179.8	-156.4	35.8	0	0	0	111.8	H795 K799 N802 L818 T836	H795-D797 VanDerWaalsContact C-N 3.28Å; H795-D797 PolarHBondContact ND1-N 3.46Å; H795-D797 PolarHBondContact O-N 3.22Å; D797-K799 PolarHBondContact O-N 2.71Å; D797-K799 IonicContact OD1-NZ 3.79Å; D797-K799 WeakPolarHBondContact OD2-CE 3.33Å; D797-K799 IonicContact OD2-NZ 2.63Å; D797-K799 PolarHBondContact OD2-NZ 3.33Å; D797-N802 PolarHBondContact O-ND2 2.78Å; D797-N802 PolarHBondContact OD2-ND2 2.87Å; D797-L818 HydrophobicContact CB-CD1 3.92Å; D797-T836 WeakPolarHBondContact OD1-CB 3.49Å; D797-T836 PolarHBondContact OD1-N 2.77Å; D797-T836 PolarHBondContact OD1-OG1 3.08Å
798	I	95.4	Very high	87.2	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.01	22%	0.221	C	C	.	.			trans	-71.2	117.4	173.6	-59.5	-62.1	0	0	0	109	L782 H795 I813 V862	L782-I798 HydrophobicContact CD2-CD1 3.71Å; L782-I798 HydrophobicContact CD2-CG1 3.91Å; H795-I798 HydrophobicContact CB-CD1 3.72Å; H795-I798 HydrophobicContact CB-CG1 3.98Å; H795-I798 VanDerWaalsContact CG-CD1 3.4Å; I798-I813 HydrophobicContact CD1-CD1 4.38Å; I798-I813 HydrophobicContact CD1-CG2 3.68Å; I798-V862 HydrophobicContact CG2-CG2 4.12Å
799	K	94.2	Very high	88.3	Confident	27 Å²	27	37.1 Å²	37.1	12%	0.117	21%	0.208	C	C	.	.			trans	-158.6	161.3	179.2	59.3	-173.3	168.7	-167.4	0	109.3	D797 T801 N802 V803 T836 Y839	D797-K799 PolarHBondContact O-N 2.71Å; D797-K799 IonicContact OD1-NZ 3.79Å; D797-K799 WeakPolarHBondContact OD2-CE 3.33Å; D797-K799 IonicContact OD2-NZ 2.63Å; D797-K799 PolarHBondContact OD2-NZ 3.33Å; K799-T801 VanDerWaalsContact CD-OG1 3.3Å; K799-T801 WeakPolarHBondContact CD-OG1 3.33Å; K799-T801 WeakPolarHBondContact CE-OG1 3.12Å; K799-T801 WeakPolarHBondContact CG-OG1 3.47Å; K799-T801 PolarHBondContact O-N 3.22Å; K799-T801 VanDerWaalsContact O-N 3.16Å; K799-N802 WeakPolarHBondContact CE-ND2 3.23Å; K799-N802 WeakPolarHBondContact CE-OD1 3.43Å; K799-N802 HydrophobicContact CG-CB 4Å; K799-N802 PolarHBondContact O-N 3.07Å; K799-V803 PolarHBondContact O-N 3.18Å; K799-T836 HydrophobicContact CD-CG2 4.18Å; K799-T836 WeakPolarHBondContact CD-OG1 3.33Å; K799-T836 PolarHBondContact NZ-OG1 2.9Å; K799-Y839 HydrophobicContact CB-CD1 3.99Å; K799-Y839 HydrophobicContact CB-CD2 4.16Å; K799-Y839 HydrophobicContact CB-CE1 3.89Å; K799-Y839 HydrophobicContact CB-CE2 4.05Å; K799-Y839 HydrophobicContact CB-CG 4.13Å
800	T	93.5	Very high	89.7	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.012	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.1	-177.7	40.5	0	0	0	0	114.3	L754 A755 L758 N802 V862 E865	L754-T800 HydrophobicContact CD2-CG2 4.06Å; L754-T800 HydrophobicContact CG-CG2 4.22Å; L754-T800 PolarHBondContact N-O 2.91Å; A755-T800 PolarHBondContact N-O 3.11Å; L758-T800 HydrophobicContact CD1-CG2 4.14Å; T800-N802 VanDerWaalsContact C-N 3.35Å; T800-V862 HydrophobicContact CG2-CG1 4.05Å; T800-V862 HydrophobicContact CG2-CG2 4.5Å; T800-E865 HydrophobicContact CG2-CB 4.07Å; T800-E865 WeakPolarHBondContact CG2-OE2 3.27Å; T800-E865 PolarHBondContact OG1-OE2 3.35Å
801	T	90.9	Very high	91.1	Very high	69 Å²	69	33.4 Å²	33.4	42%	0.423	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-23.3	174.4	63.8	0	0	0	0	113.4	S753 A755 K799	S753-T801 WeakPolarHBondContact CB-O 3.23Å; A755-T801 HydrophobicContact CB-CG2 3.79Å; K799-T801 VanDerWaalsContact CD-OG1 3.3Å; K799-T801 WeakPolarHBondContact CD-OG1 3.33Å; K799-T801 WeakPolarHBondContact CE-OG1 3.12Å; K799-T801 WeakPolarHBondContact CG-OG1 3.47Å; K799-T801 PolarHBondContact O-N 3.22Å; K799-T801 VanDerWaalsContact O-N 3.16Å
802	N	92.6	Very high	92.4	Very high	14 Å²	14	30.1 Å²	30.1	8%	0.075	15%	0.154	C	C	.	.	S	Bend	trans	-99.8	4.4	-177.8	-71.7	16	0	0	0	112	D797 K799 T800 S814 D815	D797-N802 PolarHBondContact O-ND2 2.78Å; D797-N802 PolarHBondContact OD2-ND2 2.87Å; K799-N802 WeakPolarHBondContact CE-ND2 3.23Å; K799-N802 WeakPolarHBondContact CE-OD1 3.43Å; K799-N802 HydrophobicContact CG-CB 4Å; K799-N802 PolarHBondContact O-N 3.07Å; T800-N802 VanDerWaalsContact C-N 3.35Å; N802-S814 WeakPolarHBondContact O-CB 3.26Å; N802-S814 PolarHBondContact O-N 3Å; N802-S814 PolarHBondContact O-OG 3.31Å; N802-D815 HydrophobicContact CB-CB 4.35Å; N802-D815 WeakPolarHBondContact ND2-CB 3.25Å; N802-D815 PolarHBondContact ND2-OD2 2.9Å
803	V	95.7	Very high	93.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	119	168	178.4	0	0	0	0	107.8	S753 L754 I778 K799 A811	S753-V803 CarbonylContact C-O 3.56Å; S753-V803 WeakPolarHBondContact CA-O 3.47Å; L754-V803 HydrophobicContact CB-CB 4.08Å; L754-V803 HydrophobicContact CB-CG1 4.15Å; L754-V803 HydrophobicContact CD2-CB 4.28Å; L754-V803 HydrophobicContact CD2-CG1 4.1Å; L754-V803 PolarHBondContact N-O 3.38Å; I778-V803 HydrophobicContact CD1-CG1 3.93Å; I778-V803 HydrophobicContact CD1-CG2 4.03Å; I778-V803 HydrophobicContact CG1-CG1 3.87Å; I778-V803 HydrophobicContact CG1-CG2 4.12Å; K799-V803 PolarHBondContact O-N 3.18Å; V803-A811 HydrophobicContact CG1-CB 3.89Å
804	L	95.1	Very high	93.5	Very high	35 Å²	35	24.6 Å²	24.6	18%	0.183	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	154.8	179.3	-56	-176.6	0	0	0	110.8	V730 M749 N752 K812	V730-L804 HydrophobicContact CG2-CB 4.46Å; V730-L804 HydrophobicContact CG2-CD1 4.22Å; M749-L804 HydrophobicContact CB-CB 3.89Å; M749-L804 HydrophobicContact CB-CD1 4.13Å; M749-L804 HydrophobicContact CE-CB 3.84Å; M749-L804 HydrophobicContact CG-CB 3.69Å; M749-L804 HydrophobicContact CG-CD1 3.65Å; M749-L804 HydrophobicContact CG-CG 4.32Å; N752-L804 CarbonylContact O-C 3.53Å; N752-L804 WeakPolarHBondContact O-CA 3.31Å; L804-K812 PolarHBondContact N-O 2.74Å; L804-K812 PolarHBondContact O-N 3.18Å
805	L	95.2	Very high	93.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.7	-178.6	-59	179.5	0	0	0	110.4	M749 N751 N752 L754 A757 I774 L809 A811	M749-L805 VanDerWaalsContact CE-C 3.42Å; N751-L805 HydrophobicContact CB-CB 3.7Å; N751-L805 WeakPolarHBondContact CB-O 3.43Å; N751-L805 PolarHBondContact N-O 3.49Å; N751-L805 VanDerWaalsContact N-O 3.08Å; N752-L805 PolarHBondContact O-N 3.28Å; L754-L805 HydrophobicContact CD1-CD1 4.32Å; A757-L805 HydrophobicContact CB-CD1 3.88Å; I774-L805 HydrophobicContact CD1-CD1 4.17Å; I774-L805 HydrophobicContact CD1-CD2 3.8Å; I774-L805 HydrophobicContact CG1-CD2 3.88Å; L805-L809 HydrophobicContact CD1-CD2 4.38Å; L805-A811 HydrophobicContact CD2-CB 4.28Å
806	D	93.2	Very high	93.1	Very high	22 Å²	22	26.1 Å²	26.1	12%	0.118	14%	0.143	C	C	.	.			trans	-79.5	-179.9	172.8	68.8	12.8	0	0	0	111	M749 N751 D808 L809 N810	M749-D806 HydrophobicContact CE-CB 3.88Å; M749-D806 VanDerWaalsContact CE-N 3.3Å; N751-D806 PolarHBondContact ND2-O 2.81Å; D806-D808 PolarHBondContact O-N 3.26Å; D806-D808 VanDerWaalsContact O-N 3.16Å; D806-D808 WeakPolarHBondContact OD1-CA 3.32Å; D806-D808 PolarHBondContact OD1-N 2.88Å; D806-L809 PolarHBondContact O-N 3.39Å; D806-L809 PolarHBondContact OD1-N 3.23Å; D806-L809 VanDerWaalsContact OD1-N 3.13Å; D806-N810 PolarHBondContact N-O 3.44Å; D806-N810 WeakPolarHBondContact OD1-CB 3.14Å; D806-N810 PolarHBondContact OD1-N 2.8Å; D806-N810 PolarHBondContact OD1-ND2 2.77Å; D806-N810 WeakPolarHBondContact OD2-CB 3.03Å; D806-N810 PolarHBondContact OD2-ND2 3.12Å
807	T	91.1	Very high	92.5	Very high	88 Å²	88	25.8 Å²	25.8	54%	0.54	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-35	177.6	-58.7	0	0	0	0	113.6	E750 N751 L809	E750-T807 VanDerWaalsContact CG-OG1 3.23Å; E750-T807 WeakPolarHBondContact CG-OG1 3.27Å; E750-T807 PolarHBondContact OE2-N 3.34Å; E750-T807 PolarHBondContact OE2-OG1 3.41Å; N751-T807 PolarHBondContact ND2-O 2.95Å; T807-L809 VanDerWaalsContact C-N 3.34Å
808	D	92.6	Very high	92	Very high	114 Å²	114	26.8 Å²	26.8	61%	0.61	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	14.5	-177.5	-64.6	-40.1	0	0	0	113.3	K773 D806 N810	K773-D808 PolarHBondContact NZ-O 3.49Å; D806-D808 PolarHBondContact O-N 3.26Å; D806-D808 VanDerWaalsContact O-N 3.16Å; D806-D808 WeakPolarHBondContact OD1-CA 3.32Å; D806-D808 PolarHBondContact OD1-N 2.88Å; D808-N810 PolarHBondContact O-N 3.34Å
809	L	93.3	Very high	91.5	Very high	42 Å²	42	27 Å²	27	22%	0.22	15%	0.15	C	C	.	.			trans	57.9	29.1	-176.8	-54.1	177.3	0	0	0	113.6	N751 L764 L766 A770 L805 D806 T807	N751-L809 HydrophobicContact CB-CD2 4.21Å; N751-L809 WeakPolarHBondContact ND2-CD2 3.27Å; L764-L809 HydrophobicContact CD1-CD2 4.26Å; L764-L809 HydrophobicContact CD2-CD2 3.63Å; L764-L809 HydrophobicContact CG-CD2 4.45Å; L766-L809 HydrophobicContact CD2-CD1 3.97Å; L766-L809 HydrophobicContact CD2-CD2 4.29Å; A770-L809 HydrophobicContact CB-CD1 4.2Å; L805-L809 HydrophobicContact CD1-CD2 4.38Å; D806-L809 PolarHBondContact O-N 3.39Å; D806-L809 PolarHBondContact OD1-N 3.23Å; D806-L809 VanDerWaalsContact OD1-N 3.13Å; T807-L809 VanDerWaalsContact C-N 3.34Å
810	N	95.8	Very high	90.9	Very high	44 Å²	44	27.5 Å²	27.5	24%	0.235	15%	0.151	C	C	.	.			trans	-76.5	131.2	168.4	-51.7	-60.7	0	0	0	109.4	K773 D806 D808	K773-N810 WeakPolarHBondContact CE-OD1 3.44Å; K773-N810 PolarHBondContact NZ-OD1 2.95Å; D806-N810 PolarHBondContact N-O 3.44Å; D806-N810 WeakPolarHBondContact OD1-CB 3.14Å; D806-N810 PolarHBondContact OD1-N 2.8Å; D806-N810 PolarHBondContact OD1-ND2 2.77Å; D806-N810 WeakPolarHBondContact OD2-CB 3.03Å; D806-N810 PolarHBondContact OD2-ND2 3.12Å; D808-N810 PolarHBondContact O-N 3.34Å
811	A	96.9	Very high	90.2	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.008	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	128.8	176.4	0	0	0	0	0	111.2	N728 I774 I778 V803 L805	N728-A811 VanDerWaalsContact CA-O 3.3Å; N728-A811 WeakPolarHBondContact CA-O 3.42Å; N728-A811 WeakPolarHBondContact CB-O 3.47Å; N728-A811 PolarHBondContact ND2-O 2.88Å; I774-A811 HydrophobicContact CB-CB 4.28Å; I774-A811 HydrophobicContact CG1-CB 4.35Å; I774-A811 HydrophobicContact CG2-CB 3.96Å; I778-A811 HydrophobicContact CG1-CB 3.81Å; V803-A811 HydrophobicContact CG1-CB 3.89Å; L805-A811 HydrophobicContact CD2-CB 4.28Å
812	K	96.6	Very high	89.1	Confident	23 Å²	23	28.3 Å²	28.3	10%	0.1	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.8	173.2	-58	-164.9	-176.3	-177.1	0	111.2	P727 N728 V730 E747 M749 L804	P727-K812 WeakPolarHBondContact O-CE 3.15Å; P727-K812 WeakPolarHBondContact O-CG 3.47Å; N728-K812 CarbonylContact O-C 3.51Å; N728-K812 WeakPolarHBondContact O-CA 3.48Å; V730-K812 HydrophobicContact CG2-CB 3.54Å; E747-K812 WeakPolarHBondContact OE1-CD 3.13Å; E747-K812 IonicContact OE1-NZ 3.54Å; E747-K812 PolarHBondContact OE1-NZ 2.99Å; E747-K812 IonicContact OE2-NZ 2.84Å; E747-K812 PolarHBondContact OE2-NZ 3.45Å; M749-K812 HydrophobicContact CE-CB 3.83Å; M749-K812 HydrophobicContact CE-CD 3.67Å; M749-K812 HydrophobicContact CE-CG 3.76Å; M749-K812 HydrophobicContact SD-CD 3.93Å; L804-K812 PolarHBondContact N-O 2.74Å; L804-K812 PolarHBondContact O-N 3.18Å
813	I	95.5	Very high	87.8	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	133.6	175.8	-56.9	172.7	0	0	0	108.9	N728 L729 V730 I778 L782 H795 I798 F816	N728-I813 PolarHBondContact O-N 3.15Å; L729-I813 HydrophobicContact CD2-CB 3.85Å; L729-I813 HydrophobicContact CD2-CD1 4.03Å; L729-I813 HydrophobicContact CD2-CG1 4.29Å; V730-I813 PolarHBondContact N-O 3.2Å; I778-I813 HydrophobicContact CG2-CD1 4.2Å; I778-I813 HydrophobicContact CG2-CG1 4.39Å; L782-I813 HydrophobicContact CD2-CD1 3.9Å; L782-I813 HydrophobicContact CG-CD1 3.77Å; H795-I813 WeakPolarHBondContact CD2-CG2 3.25Å; H795-I813 VanDerWaalsContact NE2-CG2 3.33Å; H795-I813 WeakPolarHBondContact NE2-CG2 3.38Å; I798-I813 HydrophobicContact CD1-CD1 4.38Å; I798-I813 HydrophobicContact CD1-CG2 3.68Å; I813-F816 HydrophobicContact CG2-CZ 4.36Å
814	S	91.7	Very high	85.9	Confident	15 Å²	15	35.9 Å²	35.9	11%	0.105	20%	0.202	C	C	.	.			trans	-132	171.5	-176.3	74.4	0	0	0	0	111.1	H795 N802	H795-S814 PolarHBondContact CE1-O 2.95Å; H795-S814 PolarHBondContact NE2-O 3.45Å; N802-S814 WeakPolarHBondContact O-CB 3.26Å; N802-S814 PolarHBondContact O-N 3Å; N802-S814 PolarHBondContact O-OG 3.31Å
815	D	86.6	Confident	83.9	Confident	25 Å²	25	42.8 Å²	42.8	13%	0.134	23%	0.233	C	C	.	.			trans	68.3	65	175.1	-160.3	29.1	0	0	0	114	K701 H795 N802 G817	K701-D815 IonicContact NZ-OD1 3.84Å; K701-D815 PolarHBondContact NZ-OD1 2.98Å; H795-D815 PolarHBondContact CE1-O 3.05Å; H795-D815 PolarHBondContact NE2-O 2.86Å; N802-D815 HydrophobicContact CB-CB 4.35Å; N802-D815 WeakPolarHBondContact ND2-CB 3.25Å; N802-D815 PolarHBondContact ND2-OD2 2.9Å; D815-G817 PolarHBondContact O-N 2.87Å
816	F	86	Confident	81.8	Confident	9 Å²	9	47.6 Å²	47.6	4%	0.039	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-81.4	8.4	177.9	-63.8	-90.9	0	0	0	113.4	E717 M720 L724 L729 L785 H795 I813 L818 A819	E717-F816 HydrophobicContact CG-CB 4.3Å; E717-F816 PolarHBondContact OE1-N 2.74Å; M720-F816 HydrophobicContact CE-CB 4.3Å; M720-F816 HydrophobicContact CE-CD1 3.67Å; M720-F816 HydrophobicContact CE-CE1 4.28Å; M720-F816 HydrophobicContact CE-CG 4.14Å; M720-F816 HydrophobicContact CG-CB 3.97Å; M720-F816 HydrophobicContact CG-CG 4.4Å; L724-F816 HydrophobicContact CD1-CD1 3.85Å; L724-F816 HydrophobicContact CD1-CD2 4.39Å; L724-F816 HydrophobicContact CD1-CE1 3.46Å; L724-F816 VanDerWaalsContact CD1-CE1 3.46Å; L724-F816 HydrophobicContact CD1-CE2 4.07Å; L724-F816 HydrophobicContact CD1-CG 4.29Å; L724-F816 HydrophobicContact CD1-CZ 3.59Å; L729-F816 HydrophobicContact CB-CZ 4.31Å; L729-F816 HydrophobicContact CD1-CZ 4.45Å; L729-F816 HydrophobicContact CD2-CZ 4.05Å; L729-F816 HydrophobicContact CG-CZ 4.49Å; L785-F816 HydrophobicContact CD1-CE1 3.91Å; L785-F816 HydrophobicContact CD2-CE1 4.09Å; H795-F816 AromaticContact CD2-CD1 3.83Å; H795-F816 AromaticContact CD2-CE1 3.73Å; I813-F816 HydrophobicContact CG2-CZ 4.36Å; F816-L818 PolarHBondContact O-N 2.76Å; F816-A819 HydrophobicContact CB-CB 4.02Å; F816-A819 HydrophobicContact CD1-CB 4.12Å; F816-A819 VanDerWaalsContact O-CB 3.26Å; F816-A819 WeakPolarHBondContact O-CB 3.42Å; F816-A819 PolarHBondContact O-N 3.28Å
817	G	79.8	Confident	80.5	Confident	2 Å²	2	52.5 Å²	52.5	2%	0.021	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-51.4	-30.4	179.8	0	0	0	0	0	113.7	N716 E717 D815	N716-G817 PolarHBondContact ND2-O 3.34Å; E717-G817 PolarHBondContact OE1-N 2.93Å; D815-G817 PolarHBondContact O-N 2.87Å
818	L	80.2	Confident	79.4	Confident	26 Å²	26	50.9 Å²	50.9	14%	0.136	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-95.2	-6.5	176.8	-63.4	-178.7	0	0	0	114.6	R796 D797 F816 A834	R796-L818 VanDerWaalsContact CD-O 3.26Å; R796-L818 WeakPolarHBondContact CD-O 3.25Å; R796-L818 PolarHBondContact NH1-O 3.42Å; D797-L818 HydrophobicContact CB-CD1 3.92Å; F816-L818 PolarHBondContact O-N 2.76Å; L818-A834 HydrophobicContact CD2-CB 4.43Å
819	A	85.2	Confident	78.2	Confident	8 Å²	8	46.9 Å²	46.9	7%	0.066	25%	0.251	C	S	.	.			trans	-59.1	151	-173.6	0	0	0	0	0	113.2	M720 V794 F816	M720-A819 HydrophobicContact CE-CB 4.21Å; M720-A819 HydrophobicContact SD-CB 4.41Å; V794-A819 CarbonylContact O-C 3.53Å; V794-A819 WeakPolarHBondContact O-CA 3.3Å; F816-A819 HydrophobicContact CB-CB 4.02Å; F816-A819 HydrophobicContact CD1-CB 4.12Å; F816-A819 VanDerWaalsContact O-CB 3.26Å; F816-A819 WeakPolarHBondContact O-CB 3.42Å; F816-A819 PolarHBondContact O-N 3.28Å
820	R	81.4	Confident	76.5	Confident	36 Å²	36	48.2 Å²	48.2	14%	0.136	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	140.9	179.2	-75.6	176.1	172.2	142.4	-0.1	111.6	M793 V794 R796 I829 T831 K832 L850	M793-R820 CarbonylContact C-O 3.57Å; M793-R820 WeakPolarHBondContact CA-O 3.47Å; V794-R820 PolarHBondContact N-O 3.12Å; V794-R820 PolarHBondContact O-N 3.05Å; R796-R820 VanDerWaalsContact CZ-CZ 3.46Å; R820-I829 HydrophobicContact CB-CD1 4.13Å; R820-T831 PolarHBondContact NE-OG1 2.91Å; R820-T831 VanDerWaalsContact NH1-CB 3.32Å; R820-T831 PolarHBondContact NH1-OG1 3.46Å; R820-T831 PolarHBondContact NH2-OG1 2.67Å; R820-T831 VanDerWaalsContact NH2-OG1 3.11Å; R820-K832 PolarHBondContact NH1-O 3.22Å; R820-L850 HydrophobicContact CB-CD2 4.45Å
821	L	79.2	Confident	75	Confident	67 Å²	67	47.4 Å²	47.4	35%	0.351	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	138.3	172.9	-65.4	163.6	0	0	0	110.2	M791 R792 M793 I829	M791-L821 HydrophobicContact CB-CD2 3.56Å; M791-L821 HydrophobicContact CG-CD2 4.34Å; M791-L821 HydrophobicContact SD-CD1 4.34Å; M791-L821 HydrophobicContact SD-CD2 3.86Å; R792-L821 CarbonylContact O-C 3.55Å; R792-L821 WeakPolarHBondContact O-CA 3.29Å; M793-L821 HydrophobicContact CG-CD2 3.5Å; M793-L821 VanDerWaalsContact CG-CD2 3.5Å; M793-L821 HydrophobicContact CG-CG 4.41Å; M793-L821 HydrophobicContact SD-CD2 3.86Å; L821-I829 VanDerWaalsContact O-CD1 3.25Å; L821-I829 WeakPolarHBondContact O-CD1 3.43Å
822	H	68.2	Low	73.8	Confident	22 Å²	22	51.1 Å²	51.1	10%	0.102	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	110.3	175.2	-166.9	173	0	0	0	109	R792 V794 H826 I829 E852	R792-H822 HydrophobicContact CB-CB 4.2Å; R792-H822 PolarHBondContact O-N 3.19Å; V794-H822 HydrophobicContact CG2-CB 4.4Å; H822-H826 PolarHBondContact NE2-O 3.43Å; H822-I829 HydrophobicContact CB-CD1 3.84Å; H822-I829 HydrophobicContact CB-CG1 4.33Å; H822-E852 IonicContact CE1-OE2 3.5Å; H822-E852 PolarHBondContact CE1-OE2 3.36Å; H822-E852 IonicContact ND1-OE2 2.72Å; H822-E852 PolarHBondContact ND1-OE2 3.19Å
823	E	65	Low	72.8	Confident	84 Å²	84	52.9 Å²	52.9	39%	0.393	29%	0.289	S	S	.	.			trans	-76.7	139.1	173.9	-69.7	171.4	-174.1	0	0	111.4	E825 H826 Y999	E823-E825 PolarHBondContact O-N 2.93Å; E823-E825 VanDerWaalsContact O-N 3.1Å; E823-H826 PolarHBondContact O-N 2.84Å; E823-H826 VanDerWaalsContact O-N 3.14Å; E823-H826 IonicContact OE2-CE1 3.53Å; E823-H826 PolarHBondContact OE2-CE1 2.9Å; E823-H826 VanDerWaalsContact OE2-CE1 3.27Å; E823-H826 IonicContact OE2-ND1 3.41Å; E823-H826 PolarHBondContact OE2-ND1 3.31Å; E823-Y999 VanDerWaalsContact OE1-CE1 3.27Å; E823-Y999 WeakPolarHBondContact OE1-CE1 3.42Å
824	A	55.2	Low	72	Confident	90 Å²	90	54.4 Å²	54.4	74%	0.744	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.5	-176.1	0	0	0	0	0	114.6	H826	A824-H826 VanDerWaalsContact C-N 3.33Å
825	E	53.5	Low	71.6	Confident	180 Å²	180	54.9 Å²	54.9	84%	0.841	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-13.7	-179.4	-62.7	-172.4	174.1	0	0	113.5	E823	E823-E825 PolarHBondContact O-N 2.93Å; E823-E825 VanDerWaalsContact O-N 3.1Å
826	H	51.5	Low	71.6	Confident	101 Å²	101	55.5 Å²	55.5	47%	0.468	31%	0.314	S	S	.	.			trans	-106.1	131.5	-175.1	-66.1	98.3	0	0	0	112.1	H822 E823 A824 H828	H822-H826 PolarHBondContact NE2-O 3.43Å; E823-H826 PolarHBondContact O-N 2.84Å; E823-H826 VanDerWaalsContact O-N 3.14Å; E823-H826 IonicContact OE2-CE1 3.53Å; E823-H826 PolarHBondContact OE2-CE1 2.9Å; E823-H826 VanDerWaalsContact OE2-CE1 3.27Å; E823-H826 IonicContact OE2-ND1 3.41Å; E823-H826 PolarHBondContact OE2-ND1 3.31Å; A824-H826 VanDerWaalsContact C-N 3.33Å; H826-H828 VanDerWaalsContact C-N 3.26Å; H826-H828 PolarHBondContact O-N 3.08Å
827	T	65.3	Low	71.4	Confident	125 Å²	125	60.8 Å²	60.8	77%	0.767	34%	0.341	S	S	*	.	S	Bend	trans	-69.2	-22.5	177.8	55.9	0	0	0	0	113.6	T851	T827-T851 WeakPolarHBondContact O-CG2 3.29Å
828	H	67.4	Low	71.6	Confident	54 Å²	54	61.3 Å²	61.3	25%	0.25	35%	0.346	C	S	.	.	S	Bend	trans	-163	157.7	176.1	65.8	-72.4	0	0	0	110.6	H826 S830 L850 T851	H826-H828 VanDerWaalsContact C-N 3.26Å; H826-H828 PolarHBondContact O-N 3.08Å; H828-S830 PolarHBondContact NE2-OG 2.98Å; H828-S830 VanDerWaalsContact NE2-OG 3.07Å; H828-L850 CarbonylContact C-O 3.59Å; H828-T851 HydrophobicContact CB-CG2 3.57Å
829	I	67.7	Low	72.2	Confident	29 Å²	29	60.6 Å²	60.6	15%	0.149	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	110.2	170	-52.5	165.6	0	0	0	108.1	V794 R820 L821 H822 T831 L850	V794-I829 HydrophobicContact CG2-CD1 4.19Å; R820-I829 HydrophobicContact CB-CD1 4.13Å; L821-I829 VanDerWaalsContact O-CD1 3.25Å; L821-I829 WeakPolarHBondContact O-CD1 3.43Å; H822-I829 HydrophobicContact CB-CD1 3.84Å; H822-I829 HydrophobicContact CB-CG1 4.33Å; I829-T831 HydrophobicContact CG2-CG2 4.19Å; I829-T831 PolarHBondContact O-N 3.34Å; I829-L850 HydrophobicContact CB-CB 4.23Å; I829-L850 HydrophobicContact CB-CD2 4.41Å; I829-L850 HydrophobicContact CD1-CD2 4.19Å; I829-L850 PolarHBondContact N-O 3.01Å; I829-L850 WeakPolarHBondContact O-CB 3.2Å; I829-L850 PolarHBondContact O-N 2.94Å
830	S	58.1	Low	72.4	Confident	71 Å²	71	61.1 Å²	61.1	50%	0.497	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	112.4	172.5	-92.9	0	0	0	0	110.1	H828	H828-S830 PolarHBondContact NE2-OG 2.98Å; H828-S830 VanDerWaalsContact NE2-OG 3.07Å
831	T	64	Low	72.9	Confident	27 Å²	27	59.4 Å²	59.4	17%	0.166	34%	0.337	C	S	.	.			trans	-156.6	156.4	-171.2	-158	0	0	0	0	115.2	R820 I829 V833 Y844 G848 L850	R820-T831 PolarHBondContact NE-OG1 2.91Å; R820-T831 VanDerWaalsContact NH1-CB 3.32Å; R820-T831 PolarHBondContact NH1-OG1 3.46Å; R820-T831 PolarHBondContact NH2-OG1 2.67Å; R820-T831 VanDerWaalsContact NH2-OG1 3.11Å; I829-T831 HydrophobicContact CG2-CG2 4.19Å; I829-T831 PolarHBondContact O-N 3.34Å; T831-V833 PolarHBondContact O-N 3.02Å; T831-Y844 HydrophobicContact CG2-CE2 4.11Å; T831-G848 PolarHBondContact N-O 3.09Å; T831-G848 VanDerWaalsContact N-O 3.09Å; T831-L850 HydrophobicContact CG2-CB 3.85Å; T831-L850 HydrophobicContact CG2-CD2 3.9Å
832	K	72	Confident	73.3	Confident	79 Å²	79	57.6 Å²	57.6	34%	0.343	33%	0.329	S	S	.	.			trans	-56	133.8	-179.6	-176.4	174.3	178.5	179.5	0	110	R796 R820 A834 Y844	R796-K832 PolarHBondContact NH2-O 3.48Å; R820-K832 PolarHBondContact NH1-O 3.22Å; K832-A834 PolarHBondContact O-N 3.03Å; K832-Y844 PolarHBondContact O-OH 3.03Å
833	V	75.8	Confident	74.2	Confident	60 Å²	60	57 Å²	57	36%	0.364	33%	0.326	S	S	.	.			trans	-60.3	114.3	173.1	-175.9	0	0	0	0	108.5	T831 M840 Y844	T831-V833 PolarHBondContact O-N 3.02Å; V833-M840 HydrophobicContact CB-CE 4.5Å; V833-M840 HydrophobicContact CG1-CE 3.22Å; V833-M840 HydrophobicContact CG1-SD 4.42Å; V833-Y844 WeakPolarHBondContact CA-OH 3.43Å; V833-Y844 WeakPolarHBondContact CG2-O 3.38Å
834	A	78.5	Confident	75.2	Confident	33 Å²	33	53.1 Å²	53.1	27%	0.273	31%	0.308	S	S	.	.			trans	-152.4	144.8	172	0	0	0	0	0	108.3	R796 L818 K832 Y844	R796-A834 PolarHBondContact NH2-O 3.25Å; L818-A834 HydrophobicContact CD2-CB 4.43Å; K832-A834 PolarHBondContact O-N 3.03Å; A834-Y844 PolarHBondContact N-OH 3.14Å; A834-Y844 WeakPolarHBondContact O-CE1 3.48Å; A834-Y844 PolarHBondContact O-OH 2.77Å
835	G	84.3	Confident	76.5	Confident	24 Å²	24	50.6 Å²	50.6	25%	0.247	29%	0.288	C	S	.	.	S	Bend	trans	144.6	177.7	-169.3	0	0	0	0	0	109.1
836	T	85	Confident	77.5	Confident	39 Å²	39	47.6 Å²	47.6	24%	0.239	28%	0.277	C	S	.	.			trans	-91.1	120.9	-176.2	-56.6	0	0	0	0	112	D797 K799 G838 Y839 M840	D797-T836 WeakPolarHBondContact OD1-CB 3.49Å; D797-T836 PolarHBondContact OD1-N 2.77Å; D797-T836 PolarHBondContact OD1-OG1 3.08Å; K799-T836 HydrophobicContact CD-CG2 4.18Å; K799-T836 WeakPolarHBondContact CD-OG1 3.33Å; K799-T836 PolarHBondContact NZ-OG1 2.9Å; T836-G838 PolarHBondContact O-N 2.98Å; T836-Y839 HydrophobicContact CG2-CD2 3.83Å; T836-Y839 HydrophobicContact CG2-CE2 4.1Å; T836-Y839 PolarHBondContact O-N 3.17Å; T836-M840 WeakPolarHBondContact O-CG 3.21Å
837	I	81.7	Confident	78.7	Confident	119 Å²	119	49.8 Å²	49.8	61%	0.61	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	127.2	178.9	-62.6	173.7	0	0	0	110.1
838	G	85.3	Confident	79.3	Confident	13 Å²	13	44.1 Å²	44.1	13%	0.134	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.8	-25.6	-175.3	0	0	0	0	0	114	T836 N872	T836-G838 PolarHBondContact O-N 2.98Å; G838-N872 PolarHBondContact O-ND2 3.46Å
839	Y	92.5	Very high	79.9	Confident	11 Å²	11	45.1 Å²	45.1	4%	0.043	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-14.4	173.3	-59.2	-93.9	0	0	0	112.1	K799 T836 Y857 S858 V861 V862 E865	K799-Y839 HydrophobicContact CB-CD1 3.99Å; K799-Y839 HydrophobicContact CB-CD2 4.16Å; K799-Y839 HydrophobicContact CB-CE1 3.89Å; K799-Y839 HydrophobicContact CB-CE2 4.05Å; K799-Y839 HydrophobicContact CB-CG 4.13Å; T836-Y839 HydrophobicContact CG2-CD2 3.83Å; T836-Y839 HydrophobicContact CG2-CE2 4.1Å; T836-Y839 PolarHBondContact O-N 3.17Å; Y839-Y857 VanDerWaalsContact O-CD1 3.26Å; Y839-Y857 WeakPolarHBondContact O-CD1 3.33Å; Y839-S858 WeakPolarHBondContact O-CA 3.36Å; Y839-S858 PolarHBondContact O-OG 3.47Å; Y839-V861 HydrophobicContact CD1-CB 3.88Å; Y839-V861 HydrophobicContact CD1-CG1 3.53Å; Y839-V861 HydrophobicContact CE1-CB 4.33Å; Y839-V861 HydrophobicContact CE1-CG1 3.59Å; Y839-V861 HydrophobicContact CG-CG1 4.33Å; Y839-V862 HydrophobicContact CD1-CG2 4.2Å; Y839-V862 HydrophobicContact CE1-CG2 4.09Å; Y839-E865 WeakPolarHBondContact CE1-OE2 3.25Å; Y839-E865 PolarHBondContact OH-OE1 2.91Å; Y839-E865 PolarHBondContact OH-OE2 3.11Å
840	M	90	Very high	80.8	Confident	19 Å²	19	43.7 Å²	43.7	9%	0.094	25%	0.245	C	C	.	.	S	Bend	trans	-74.3	133.4	-176.4	-57.5	-179	70.5	0	0	112.4	V833 T836 Y844 A845 Y857	V833-M840 HydrophobicContact CB-CE 4.5Å; V833-M840 HydrophobicContact CG1-CE 3.22Å; V833-M840 HydrophobicContact CG1-SD 4.42Å; T836-M840 WeakPolarHBondContact O-CG 3.21Å; M840-Y844 HydrophobicContact CE-CD1 3.73Å; M840-Y844 HydrophobicContact CE-CE1 3.55Å; M840-A845 HydrophobicContact CB-CB 4.32Å; M840-Y857 VanDerWaalsContact O-CE1 3.29Å; M840-Y857 WeakPolarHBondContact O-CE1 3.21Å
841	A	91.3	Very high	82.3	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.008	23%	0.227	C	C	.	.			trans	-62.7	142.1	173.2	0	0	0	0	0	112.1	E843 Y844 A845 A854 Y857	A841-E843 VanDerWaalsContact CB-OE1 3.25Å; A841-E843 WeakPolarHBondContact CB-OE1 3.48Å; A841-E843 PolarHBondContact O-N 3.3Å; A841-Y844 PolarHBondContact O-N 2.94Å; A841-A845 WeakPolarHBondContact O-CB 3.31Å; A841-A845 PolarHBondContact O-N 3.25Å; A841-A854 HydrophobicContact CB-CB 4.17Å; A841-Y857 HydrophobicContact CB-CD1 4.12Å; A841-Y857 HydrophobicContact CB-CD2 4.34Å; A841-Y857 HydrophobicContact CB-CG 3.8Å
842	P	87.2	Confident	83.6	Confident	29 Å²	29	42.7 Å²	42.7	19%	0.188	23%	0.232	C	C	.	.	H	α-helix	trans	-57.8	-45.6	-176.9	-26.7	34.6	0	0	0	114.2	Y844 A845 L846 Y857	P842-Y844 VanDerWaalsContact C-N 3.27Å; P842-Y844 PolarHBondContact O-N 2.04Å; P842-A845 PolarHBondContact O-N 2.6Å; P842-L846 VanDerWaalsContact O-CB 3.24Å; P842-L846 WeakPolarHBondContact O-CB 2.99Å; P842-L846 VanDerWaalsContact O-CG 3.23Å; P842-L846 WeakPolarHBondContact O-CG 3.18Å; P842-L846 PolarHBondContact O-N 2.85Å; P842-Y857 HydrophobicContact CG-CE2 4.2Å
843	E	86.5	Confident	84.6	Confident	8 Å²	8	40.1 Å²	40.1	4%	0.037	22%	0.221	C	C	.	.	H	α-helix	trans	-64.1	-34.8	179.4	72.7	-72.9	175.4	0	0	112	A841 W847 P929 R932	A841-E843 VanDerWaalsContact CB-OE1 3.25Å; A841-E843 WeakPolarHBondContact CB-OE1 3.48Å; A841-E843 PolarHBondContact O-N 3.3Å; E843-W847 HydrophobicContact CB-CE3 3.71Å; E843-W847 HydrophobicContact CB-CZ3 3.75Å; E843-W847 WeakPolarHBondContact O-CB 3.23Å; E843-W847 PolarHBondContact O-N 2.8Å; E843-P929 HydrophobicContact CG-CB 4.34Å; E843-P929 HydrophobicContact CG-CG 4.04Å; E843-R932 IonicContact OE1-CZ 3.36Å; E843-R932 IonicContact OE1-NH1 2.74Å; E843-R932 PolarHBondContact OE1-NH1 3.38Å; E843-R932 IonicContact OE1-NH2 3.59Å; E843-R932 IonicContact OE2-CZ 3.38Å; E843-R932 IonicContact OE2-NH1 2.77Å; E843-R932 PolarHBondContact OE2-NH1 2.04Å; E843-R932 IonicContact OE2-NH2 2.62Å; E843-R932 PolarHBondContact OE2-NH2 3.18Å
844	Y	87.3	Confident	85.5	Confident	4 Å²	4	37.4 Å²	37.4	2%	0.016	20%	0.204	C	C	.	.	H	α-helix	trans	-73.5	-44.8	176.4	178.1	-129.2	0	0	0	111	R796 T831 K832 V833 A834 M840 A841 P842 G848 Q849 L850	R796-Y844 PolarHBondContact NE-OH 3.01Å; R796-Y844 VanDerWaalsContact NE-OH 3.15Å; R796-Y844 PolarHBondContact NH2-OH 3.35Å; T831-Y844 HydrophobicContact CG2-CE2 4.11Å; K832-Y844 PolarHBondContact O-OH 3.03Å; V833-Y844 WeakPolarHBondContact CA-OH 3.43Å; V833-Y844 WeakPolarHBondContact CG2-O 3.38Å; A834-Y844 PolarHBondContact N-OH 3.14Å; A834-Y844 WeakPolarHBondContact O-CE1 3.48Å; A834-Y844 PolarHBondContact O-OH 2.77Å; M840-Y844 HydrophobicContact CE-CD1 3.73Å; M840-Y844 HydrophobicContact CE-CE1 3.55Å; A841-Y844 PolarHBondContact O-N 2.94Å; P842-Y844 VanDerWaalsContact C-N 3.27Å; P842-Y844 PolarHBondContact O-N 2.04Å; Y844-G848 VanDerWaalsContact O-CA 3.28Å; Y844-G848 WeakPolarHBondContact O-CA 3.42Å; Y844-G848 PolarHBondContact O-N 3.45Å; Y844-Q849 WeakPolarHBondContact CA-O 3.42Å; Y844-L850 HydrophobicContact CD1-CD1 4.17Å; Y844-L850 HydrophobicContact CD2-CB 3.88Å; Y844-L850 HydrophobicContact CD2-CD1 3.93Å; Y844-L850 HydrophobicContact CE1-CD1 4.19Å; Y844-L850 HydrophobicContact CE2-CB 3.92Å; Y844-L850 HydrophobicContact CE2-CD1 4Å; Y844-L850 HydrophobicContact CE2-CG 4.48Å; Y844-L850 HydrophobicContact CG-CD1 4.05Å
845	A	81	Confident	86.4	Confident	37 Å²	37	35.8 Å²	35.8	31%	0.306	19%	0.191	S	C	.	.	H	α-helix	trans	-65.9	-37.7	179.3	0	0	0	0	0	113.1	M840 A841 P842	M840-A845 HydrophobicContact CB-CB 4.32Å; A841-A845 WeakPolarHBondContact O-CB 3.31Å; A841-A845 PolarHBondContact O-N 3.25Å; P842-A845 PolarHBondContact O-N 2.6Å
846	L	76	Confident	87	Confident	117 Å²	117	34.7 Å²	34.7	61%	0.613	18%	0.179	S	C	*	.	H	α-helix	trans	-85.4	-38.3	-177.2	-66.9	170.8	0	0	0	113	P842	P842-L846 VanDerWaalsContact O-CB 3.24Å; P842-L846 WeakPolarHBondContact O-CB 2.99Å; P842-L846 VanDerWaalsContact O-CG 3.23Å; P842-L846 WeakPolarHBondContact O-CG 3.18Å; P842-L846 PolarHBondContact O-N 2.85Å
847	W	76.4	Confident	87.6	Confident	147 Å²	147	34.1 Å²	34.1	56%	0.557	17%	0.173	S	C	*	.	H	α-helix	trans	-120.5	-9.4	-169.3	-52.1	-39.4	0	0	0	114.9	K534 E843 Q849	K534-W847 PolarHBondContact NZ-O 3.08Å; E843-W847 HydrophobicContact CB-CE3 3.71Å; E843-W847 HydrophobicContact CB-CZ3 3.75Å; E843-W847 WeakPolarHBondContact O-CB 3.23Å; E843-W847 PolarHBondContact O-N 2.8Å; W847-Q849 HydrophobicContact CB-CG 4.28Å; W847-Q849 PolarHBondContact O-N 2.91Å
848	G	78.1	Confident	88.3	Confident	5 Å²	5	28.7 Å²	28.7	5%	0.052	15%	0.145	C	C	.	.			trans	65.9	23.4	-176	0	0	0	0	0	113.7	T831 Y844	T831-G848 PolarHBondContact N-O 3.09Å; T831-G848 VanDerWaalsContact N-O 3.09Å; Y844-G848 VanDerWaalsContact O-CA 3.28Å; Y844-G848 WeakPolarHBondContact O-CA 3.42Å; Y844-G848 PolarHBondContact O-N 3.45Å
849	Q	79.7	Confident	88.9	Confident	75 Å²	75	28 Å²	28	35%	0.35	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	110.3	171.6	-69.4	-177.2	-21.9	0	0	108.4	Y844 W847	Y844-Q849 WeakPolarHBondContact CA-O 3.42Å; W847-Q849 HydrophobicContact CB-CG 4.28Å; W847-Q849 PolarHBondContact O-N 2.91Å
850	L	85.3	Confident	89.1	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.2	-179.8	-178.6	74.9	0	0	0	110.2	V794 R796 R820 H828 I829 T831 Y844 A854	V794-L850 HydrophobicContact CB-CD2 4.17Å; V794-L850 HydrophobicContact CB-CG 4.43Å; V794-L850 HydrophobicContact CG1-CD1 3.84Å; V794-L850 HydrophobicContact CG1-CD2 4.08Å; V794-L850 HydrophobicContact CG1-CG 3.95Å; R796-L850 HydrophobicContact CG-CD1 3.74Å; R796-L850 HydrophobicContact CG-CD2 3.53Å; R796-L850 HydrophobicContact CG-CG 4.26Å; R820-L850 HydrophobicContact CB-CD2 4.45Å; H828-L850 CarbonylContact C-O 3.59Å; I829-L850 HydrophobicContact CB-CB 4.23Å; I829-L850 HydrophobicContact CB-CD2 4.41Å; I829-L850 HydrophobicContact CD1-CD2 4.19Å; I829-L850 PolarHBondContact N-O 3.01Å; I829-L850 WeakPolarHBondContact O-CB 3.2Å; I829-L850 PolarHBondContact O-N 2.94Å; T831-L850 HydrophobicContact CG2-CB 3.85Å; T831-L850 HydrophobicContact CG2-CD2 3.9Å; Y844-L850 HydrophobicContact CD1-CD1 4.17Å; Y844-L850 HydrophobicContact CD2-CB 3.88Å; Y844-L850 HydrophobicContact CD2-CD1 3.93Å; Y844-L850 HydrophobicContact CE1-CD1 4.19Å; Y844-L850 HydrophobicContact CE2-CB 3.92Å; Y844-L850 HydrophobicContact CE2-CD1 4Å; Y844-L850 HydrophobicContact CE2-CG 4.48Å; Y844-L850 HydrophobicContact CG-CD1 4.05Å; L850-A854 HydrophobicContact CD1-CB 3.57Å
851	T	89.6	Confident	89.4	Confident	22 Å²	22	26.7 Å²	26.7	14%	0.135	13%	0.133	C	C	.	.			trans	-128.9	173.4	166.4	61.8	0	0	0	0	108.1	T827 H828 K853 A854	T827-T851 WeakPolarHBondContact O-CG2 3.29Å; H828-T851 HydrophobicContact CB-CG2 3.57Å; T851-K853 PolarHBondContact O-N 2.92Å; T851-K853 VanDerWaalsContact O-N 3.11Å; T851-K853 WeakPolarHBondContact OG1-CB 3.49Å; T851-K853 PolarHBondContact OG1-N 3.13Å; T851-A854 WeakPolarHBondContact O-CB 3.36Å; T851-A854 PolarHBondContact O-N 3.33Å
852	E	91.5	Very high	89.7	Confident	54 Å²	54	26.6 Å²	26.6	25%	0.252	13%	0.132	S	C	.	.	H	α-helix	trans	-52.8	-27.3	169.2	74.3	-68.6	159.7	0	0	112.6	H786 V794 H822 A854 D855 V856	H786-E852 HydrophobicContact CB-CB 4.3Å; H786-E852 PolarHBondContact CE1-O 3.32Å; H786-E852 VanDerWaalsContact CE1-O 3.23Å; V794-E852 HydrophobicContact CG2-CB 4.41Å; H822-E852 IonicContact CE1-OE2 3.5Å; H822-E852 PolarHBondContact CE1-OE2 3.36Å; H822-E852 IonicContact ND1-OE2 2.72Å; H822-E852 PolarHBondContact ND1-OE2 3.19Å; E852-A854 PolarHBondContact O-N 3.25Å; E852-A854 VanDerWaalsContact O-N 3.16Å; E852-D855 WeakPolarHBondContact O-CB 3.12Å; E852-D855 PolarHBondContact O-N 2.9Å; E852-D855 VanDerWaalsContact O-N 3.07Å; E852-V856 PolarHBondContact O-N 2.97Å
853	K	94.5	Very high	90.2	Very high	26 Å²	26	25.2 Å²	25.2	11%	0.113	12%	0.124	C	C	.	.	H	α-helix	trans	-64.4	-17.2	175.3	-58.9	-55.9	-171.2	78.8	0	114.5	T851 V856 Y857 P929 R932 P933	T851-K853 PolarHBondContact O-N 2.92Å; T851-K853 VanDerWaalsContact O-N 3.11Å; T851-K853 WeakPolarHBondContact OG1-CB 3.49Å; T851-K853 PolarHBondContact OG1-N 3.13Å; K853-V856 HydrophobicContact CD-CG2 4.01Å; K853-V856 PolarHBondContact O-N 3.47Å; K853-Y857 PolarHBondContact O-N 3.24Å; K853-Y857 VanDerWaalsContact O-N 3.09Å; K853-P929 HydrophobicContact CB-CB 3.99Å; K853-P929 HydrophobicContact CG-CB 4.38Å; K853-P929 PolarHBondContact NZ-O 3.04Å; K853-R932 HydrophobicContact CD-CB 4.23Å; K853-R932 PolarHBondContact NZ-O 3.06Å; K853-R932 PolarHBondContact O-NH1 3.43Å; K853-P933 WeakPolarHBondContact CE-O 3.47Å
854	A	94	Very high	90.6	Very high	2 Å²	2	24.9 Å²	24.9	2%	0.017	12%	0.122	C	C	.	.	H	α-helix	trans	-71.6	-37.5	172.8	0	0	0	0	0	111.8	A841 L850 T851 E852 Y857 S858	A841-A854 HydrophobicContact CB-CB 4.17Å; L850-A854 HydrophobicContact CD1-CB 3.57Å; T851-A854 WeakPolarHBondContact O-CB 3.36Å; T851-A854 PolarHBondContact O-N 3.33Å; E852-A854 PolarHBondContact O-N 3.25Å; E852-A854 VanDerWaalsContact O-N 3.16Å; A854-Y857 PolarHBondContact O-N 3.19Å; A854-S858 PolarHBondContact O-N 3.25Å; A854-S858 VanDerWaalsContact O-N 3.1Å; A854-S858 PolarHBondContact O-OG 2.97Å
855	D	96.6	Very high	91	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-70	-36.7	171.7	-73.4	-13.9	0	0	0	110.7	L782 H786 V794 H795 R796 E852 Y857 S858 F859	L782-D855 HydrophobicContact CD2-CB 4.23Å; H786-D855 IonicContact CE1-OD2 2.74Å; H786-D855 IonicContact NE2-OD2 3.64Å; H786-D855 PolarHBondContact NE2-OD2 3.03Å; V794-D855 WeakPolarHBondContact CA-OD2 3.44Å; V794-D855 WeakPolarHBondContact CG1-OD2 3.21Å; H795-D855 PolarHBondContact N-OD1 3.37Å; H795-D855 PolarHBondContact N-OD2 2.97Å; R796-D855 WeakPolarHBondContact CA-OD1 3.16Å; R796-D855 PolarHBondContact N-OD1 3.04Å; E852-D855 WeakPolarHBondContact O-CB 3.12Å; E852-D855 PolarHBondContact O-N 2.9Å; E852-D855 VanDerWaalsContact O-N 3.07Å; D855-Y857 VanDerWaalsContact C-N 3.29Å; D855-Y857 PolarHBondContact O-N 2.77Å; D855-S858 PolarHBondContact O-N 3.4Å; D855-F859 VanDerWaalsContact O-CB 3.31Å; D855-F859 WeakPolarHBondContact O-CB 3.5Å; D855-F859 PolarHBondContact O-N 3.34Å
856	V	97.5	Very high	91.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.9	-43.4	173.9	-178.6	0	0	0	0	110.9	E852 K853 F859 G860 C924 R932 P933 M935	E852-V856 PolarHBondContact O-N 2.97Å; K853-V856 HydrophobicContact CD-CG2 4.01Å; K853-V856 PolarHBondContact O-N 3.47Å; V856-F859 WeakPolarHBondContact O-CB 3.11Å; V856-F859 PolarHBondContact O-N 3.31Å; V856-G860 PolarHBondContact O-N 3.39Å; V856-C924 HydrophobicContact CG1-CB 3.94Å; V856-C924 WeakPolarHBondContact O-CB 2.99Å; V856-R932 HydrophobicContact CG1-CB 4.08Å; V856-P933 HydrophobicContact CG1-CG 4.29Å; V856-M935 HydrophobicContact CB-SD 4.22Å; V856-M935 HydrophobicContact CG1-SD 4.33Å; V856-M935 HydrophobicContact CG2-CG 3.88Å; V856-M935 HydrophobicContact CG2-SD 3.75Å
857	Y	97.1	Very high	92.6	Very high	27 Å²	27	17.4 Å²	17.4	11%	0.106	8%	0.078	C	C	.	.	H	α-helix	trans	-63	-47.2	175	-177.6	-80.8	0	0	0	111.9	Y839 M840 A841 P842 K853 A854 D855 F859 G860 V861 C924 T925	Y839-Y857 VanDerWaalsContact O-CD1 3.26Å; Y839-Y857 WeakPolarHBondContact O-CD1 3.33Å; M840-Y857 VanDerWaalsContact O-CE1 3.29Å; M840-Y857 WeakPolarHBondContact O-CE1 3.21Å; A841-Y857 HydrophobicContact CB-CD1 4.12Å; A841-Y857 HydrophobicContact CB-CD2 4.34Å; A841-Y857 HydrophobicContact CB-CG 3.8Å; P842-Y857 HydrophobicContact CG-CE2 4.2Å; K853-Y857 PolarHBondContact O-N 3.24Å; K853-Y857 VanDerWaalsContact O-N 3.09Å; A854-Y857 PolarHBondContact O-N 3.19Å; D855-Y857 VanDerWaalsContact C-N 3.29Å; D855-Y857 PolarHBondContact O-N 2.77Å; Y857-F859 VanDerWaalsContact C-N 3.29Å; Y857-F859 PolarHBondContact O-N 3.39Å; Y857-G860 PolarHBondContact O-N 3.05Å; Y857-G860 VanDerWaalsContact O-N 3.09Å; Y857-V861 HydrophobicContact CD1-CG2 4.34Å; Y857-V861 HydrophobicContact CE1-CG2 3.97Å; Y857-V861 PolarHBondContact O-N 2.94Å; Y857-V861 VanDerWaalsContact O-N 3.14Å; Y857-C924 VanDerWaalsContact CA-O 3.3Å; Y857-C924 WeakPolarHBondContact CA-O 3.39Å; Y857-T925 HydrophobicContact CD2-CG2 4.36Å; Y857-T925 HydrophobicContact CE2-CG2 4.3Å; Y857-T925 WeakPolarHBondContact CE2-O 3.2Å
858	S	97.2	Very high	93.4	Very high	5 Å²	5	10.4 Å²	10.4	4%	0.035	5%	0.051	C	C	.	.	H	α-helix	trans	-60.2	-41	178.7	-52.9	0	0	0	0	111.4	Y839 A854 D855 V861 V862	Y839-S858 WeakPolarHBondContact O-CA 3.36Å; Y839-S858 PolarHBondContact O-OG 3.47Å; A854-S858 PolarHBondContact O-N 3.25Å; A854-S858 VanDerWaalsContact O-N 3.1Å; A854-S858 PolarHBondContact O-OG 2.97Å; D855-S858 PolarHBondContact O-N 3.4Å; S858-V861 PolarHBondContact O-N 2.96Å; S858-V862 PolarHBondContact O-N 3.41Å
859	F	98.3	Very high	94	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-59.4	-45.1	172.5	171.8	-102	0	0	0	111.8	I778 A779 L782 D855 V856 Y857 V861 V862 A863 V920 M935 L942	I778-F859 HydrophobicContact CB-CD2 4.46Å; I778-F859 HydrophobicContact CB-CE2 4.21Å; I778-F859 HydrophobicContact CG2-CD2 3.8Å; I778-F859 HydrophobicContact CG2-CE2 4.06Å; A779-F859 HydrophobicContact CB-CE1 4.5Å; A779-F859 HydrophobicContact CB-CE2 3.86Å; A779-F859 HydrophobicContact CB-CZ 3.75Å; L782-F859 HydrophobicContact CD1-CB 3.71Å; L782-F859 HydrophobicContact CD1-CD2 4.03Å; L782-F859 HydrophobicContact CD1-CG 4.12Å; D855-F859 VanDerWaalsContact O-CB 3.31Å; D855-F859 WeakPolarHBondContact O-CB 3.5Å; D855-F859 PolarHBondContact O-N 3.34Å; V856-F859 WeakPolarHBondContact O-CB 3.11Å; V856-F859 PolarHBondContact O-N 3.31Å; Y857-F859 VanDerWaalsContact C-N 3.29Å; Y857-F859 PolarHBondContact O-N 3.39Å; F859-V861 VanDerWaalsContact C-N 3.26Å; F859-V861 PolarHBondContact O-N 3.12Å; F859-V862 CarbonylContact O-C 3.59Å; F859-V862 PolarHBondContact O-N 2.71Å; F859-V862 VanDerWaalsContact O-N 3.09Å; F859-A863 HydrophobicContact CE1-CB 4.36Å; F859-A863 HydrophobicContact CZ-CB 4.26Å; F859-A863 WeakPolarHBondContact O-CB 3.31Å; F859-A863 PolarHBondContact O-N 2.77Å; F859-V920 HydrophobicContact CE1-CG1 4.23Å; F859-M935 HydrophobicContact CB-SD 4.32Å; F859-M935 HydrophobicContact CD1-CE 3.85Å; F859-M935 HydrophobicContact CD1-SD 4.18Å; F859-M935 HydrophobicContact CD2-CE 4.19Å; F859-M935 HydrophobicContact CE1-CE 4.12Å; F859-M935 HydrophobicContact CE2-CE 4.44Å; F859-M935 HydrophobicContact CG-CE 3.9Å; F859-M935 HydrophobicContact CG-SD 4.25Å; F859-M935 HydrophobicContact CZ-CE 4.41Å; F859-L942 HydrophobicContact CE1-CD1 4.26Å; F859-L942 HydrophobicContact CZ-CD1 3.77Å
860	G	96.9	Very high	94.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.6	-36.3	177.1	0	0	0	0	0	112.9	V856 Y857 M864 A921	V856-G860 PolarHBondContact O-N 3.39Å; Y857-G860 PolarHBondContact O-N 3.05Å; Y857-G860 VanDerWaalsContact O-N 3.09Å; G860-M864 PolarHBondContact O-N 3.19Å; G860-M864 VanDerWaalsContact O-N 3.11Å; G860-A921 WeakPolarHBondContact O-CB 3.5Å
861	V	96.2	Very high	94.5	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.006	7%	0.073	C	C	.	.	H	α-helix	trans	-65.2	-47.5	172.1	-179.2	0	0	0	0	111	Y839 Y857 S858 F859 A863 M864 E865 N872 T925	Y839-V861 HydrophobicContact CD1-CB 3.88Å; Y839-V861 HydrophobicContact CD1-CG1 3.53Å; Y839-V861 HydrophobicContact CE1-CB 4.33Å; Y839-V861 HydrophobicContact CE1-CG1 3.59Å; Y839-V861 HydrophobicContact CG-CG1 4.33Å; Y857-V861 HydrophobicContact CD1-CG2 4.34Å; Y857-V861 HydrophobicContact CE1-CG2 3.97Å; Y857-V861 PolarHBondContact O-N 2.94Å; Y857-V861 VanDerWaalsContact O-N 3.14Å; S858-V861 PolarHBondContact O-N 2.96Å; F859-V861 VanDerWaalsContact C-N 3.26Å; F859-V861 PolarHBondContact O-N 3.12Å; V861-A863 PolarHBondContact O-N 2.74Å; V861-M864 WeakPolarHBondContact O-CB 3.35Å; V861-M864 PolarHBondContact O-N 2.77Å; V861-E865 WeakPolarHBondContact O-CG 3.44Å; V861-E865 PolarHBondContact O-N 3.22Å; V861-N872 HydrophobicContact CG1-CB 4.02Å; V861-T925 HydrophobicContact CG2-CG2 3.91Å
862	V	97.2	Very high	94	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.6	-41.5	178.3	170.8	0	0	0	0	112.2	I778 I798 T800 Y839 S858 F859 M864 E865 I866	I778-V862 HydrophobicContact CD1-CG1 3.97Å; I798-V862 HydrophobicContact CG2-CG2 4.12Å; T800-V862 HydrophobicContact CG2-CG1 4.05Å; T800-V862 HydrophobicContact CG2-CG2 4.5Å; Y839-V862 HydrophobicContact CD1-CG2 4.2Å; Y839-V862 HydrophobicContact CE1-CG2 4.09Å; S858-V862 PolarHBondContact O-N 3.41Å; F859-V862 CarbonylContact O-C 3.59Å; F859-V862 PolarHBondContact O-N 2.71Å; F859-V862 VanDerWaalsContact O-N 3.09Å; V862-M864 VanDerWaalsContact C-N 3.28Å; V862-M864 PolarHBondContact O-N 3.21Å; V862-E865 WeakPolarHBondContact O-CB 3.33Å; V862-E865 PolarHBondContact O-N 3.33Å; V862-E865 VanDerWaalsContact O-N 3.11Å; V862-I866 HydrophobicContact CG1-CD1 3.97Å; V862-I866 HydrophobicContact CG1-CG1 4.46Å; V862-I866 WeakPolarHBondContact O-CG1 3.37Å; V862-I866 PolarHBondContact O-N 3.07Å
863	A	97.5	Very high	92.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.8	-39.2	175.2	0	0	0	0	0	111.3	F859 V861 I866 V867 M917 A921	F859-A863 HydrophobicContact CE1-CB 4.36Å; F859-A863 HydrophobicContact CZ-CB 4.26Å; F859-A863 WeakPolarHBondContact O-CB 3.31Å; F859-A863 PolarHBondContact O-N 2.77Å; V861-A863 PolarHBondContact O-N 2.74Å; A863-I866 PolarHBondContact O-N 3.08Å; A863-V867 PolarHBondContact O-N 2.85Å; A863-V867 VanDerWaalsContact O-N 3.14Å; A863-M917 HydrophobicContact CB-CG 4.45Å; A863-A921 HydrophobicContact CB-CB 4.01Å
864	M	95.5	Very high	90.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66.5	-37.3	173.7	-163.6	66.4	73.1	0	0	112.3	G860 V861 V862 V867 S868 L884 I885 A888 I900 I918 A921 L922	G860-M864 PolarHBondContact O-N 3.19Å; G860-M864 VanDerWaalsContact O-N 3.11Å; V861-M864 WeakPolarHBondContact O-CB 3.35Å; V861-M864 PolarHBondContact O-N 2.77Å; V862-M864 VanDerWaalsContact C-N 3.28Å; V862-M864 PolarHBondContact O-N 3.21Å; M864-V867 WeakPolarHBondContact O-CG1 3.16Å; M864-V867 HydrophobicContact SD-CG1 4.01Å; M864-S868 VanDerWaalsContact O-CB 3.25Å; M864-S868 WeakPolarHBondContact O-CB 3.14Å; M864-S868 PolarHBondContact O-N 3.29Å; M864-S868 VanDerWaalsContact O-N 3.1Å; M864-S868 PolarHBondContact O-OG 2.94Å; M864-L884 HydrophobicContact CB-CD2 3.77Å; M864-L884 HydrophobicContact CG-CB 4.49Å; M864-L884 HydrophobicContact CG-CD2 3.35Å; M864-L884 HydrophobicContact CG-CG 3.74Å; M864-I885 HydrophobicContact CB-CD1 3.9Å; M864-I885 HydrophobicContact CE-CD1 4.02Å; M864-I885 HydrophobicContact CG-CD1 4.03Å; M864-A888 HydrophobicContact CE-CB 3.38Å; M864-A888 HydrophobicContact SD-CB 3.86Å; M864-I900 HydrophobicContact CG-CD1 4.28Å; M864-I900 HydrophobicContact SD-CD1 3.61Å; M864-I918 HydrophobicContact CE-CG2 4.06Å; M864-I918 HydrophobicContact SD-CG2 4.25Å; M864-A921 HydrophobicContact CB-CB 4.24Å; M864-A921 HydrophobicContact CE-CB 3.72Å; M864-L922 HydrophobicContact CE-CD2 4.09Å; M864-L922 HydrophobicContact CE-CG 4.09Å
865	E	95	Very high	88.3	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.8	-40.1	173.6	-69.7	-167.4	136.1	0	0	112	F759 T800 Y839 V861 V862 S868 G869 K870 S871 N872 L884	F759-E865 HydrophobicContact CZ-CB 4.06Å; F759-E865 HydrophobicContact CZ-CG 4.3Å; T800-E865 HydrophobicContact CG2-CB 4.07Å; T800-E865 WeakPolarHBondContact CG2-OE2 3.27Å; T800-E865 PolarHBondContact OG1-OE2 3.35Å; Y839-E865 WeakPolarHBondContact CE1-OE2 3.25Å; Y839-E865 PolarHBondContact OH-OE1 2.91Å; Y839-E865 PolarHBondContact OH-OE2 3.11Å; V861-E865 WeakPolarHBondContact O-CG 3.44Å; V861-E865 PolarHBondContact O-N 3.22Å; V862-E865 WeakPolarHBondContact O-CB 3.33Å; V862-E865 PolarHBondContact O-N 3.33Å; V862-E865 VanDerWaalsContact O-N 3.11Å; E865-S868 PolarHBondContact O-OG 2.78Å; E865-G869 WeakPolarHBondContact O-CA 3.42Å; E865-G869 PolarHBondContact O-N 3.18Å; E865-K870 WeakPolarHBondContact CG-O 3.26Å; E865-S871 VanDerWaalsContact OE1-CA 3.32Å; E865-S871 WeakPolarHBondContact OE1-CA 3.28Å; E865-S871 PolarHBondContact OE1-OG 3.19Å; E865-N872 HydrophobicContact CG-CB 4.48Å; E865-N872 PolarHBondContact OE1-N 3.28Å; E865-L884 HydrophobicContact CG-CD2 4.13Å
866	I	96.1	Very high	85.3	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-63.4	-49.7	178.8	-69.4	164.2	0	0	0	111.5	L754 L758 R771 I774 C775 I778 V862 A863 S868 M917	L754-I866 HydrophobicContact CD2-CD1 4.02Å; L754-I866 HydrophobicContact CD2-CG1 3.96Å; L758-I866 HydrophobicContact CD1-CG1 4.09Å; R771-I866 HydrophobicContact CB-CG2 3.73Å; R771-I866 HydrophobicContact CG-CG2 4.13Å; R771-I866 PolarHBondContact NH1-O 2.9Å; I774-I866 HydrophobicContact CG2-CD1 4.09Å; C775-I866 HydrophobicContact CB-CD1 3.96Å; C775-I866 HydrophobicContact CB-CG2 4.47Å; I778-I866 HydrophobicContact CD1-CD1 3.84Å; V862-I866 HydrophobicContact CG1-CD1 3.97Å; V862-I866 HydrophobicContact CG1-CG1 4.46Å; V862-I866 WeakPolarHBondContact O-CG1 3.37Å; V862-I866 PolarHBondContact O-N 3.07Å; A863-I866 PolarHBondContact O-N 3.08Å; I866-S868 VanDerWaalsContact C-N 3.34Å; I866-S868 PolarHBondContact O-N 2.98Å; I866-M917 HydrophobicContact CB-SD 4.41Å; I866-M917 HydrophobicContact CG2-CE 4.45Å; I866-M917 HydrophobicContact CG2-SD 4.06Å
867	V	95.4	Very high	82.5	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.8	-34.6	-178.7	66.8	0	0	0	0	112.2	W768 A863 M864 V901 D902 M917 I918	W768-V867 HydrophobicContact CH2-CG2 4.18Å; W768-V867 HydrophobicContact CZ3-CG2 4.09Å; A863-V867 PolarHBondContact O-N 2.85Å; A863-V867 VanDerWaalsContact O-N 3.14Å; M864-V867 WeakPolarHBondContact O-CG1 3.16Å; M864-V867 HydrophobicContact SD-CG1 4.01Å; V867-V901 HydrophobicContact CG2-CG2 3.99Å; V867-V901 WeakPolarHBondContact O-CA 3.42Å; V867-D902 PolarHBondContact O-N 3.09Å; V867-M917 HydrophobicContact CB-SD 3.88Å; V867-I918 HydrophobicContact CB-CG1 4.4Å; V867-I918 HydrophobicContact CG1-CG1 3.87Å; V867-I918 HydrophobicContact CG2-CD1 4.11Å; V867-I918 HydrophobicContact CG2-CG1 3.83Å
868	S	93	Very high	79.6	Confident	1 Å²	1	46 Å²	46	1%	0.007	25%	0.252	C	S	.	.	H	α-helix	trans	-88.7	-21.5	-175.4	67.7	0	0	0	0	114.9	M864 E865 I866 K870 I900 D902	M864-S868 VanDerWaalsContact O-CB 3.25Å; M864-S868 WeakPolarHBondContact O-CB 3.14Å; M864-S868 PolarHBondContact O-N 3.29Å; M864-S868 VanDerWaalsContact O-N 3.1Å; M864-S868 PolarHBondContact O-OG 2.94Å; E865-S868 PolarHBondContact O-OG 2.78Å; I866-S868 VanDerWaalsContact C-N 3.34Å; I866-S868 PolarHBondContact O-N 2.98Å; S868-K870 PolarHBondContact O-N 2.85Å; S868-K870 PolarHBondContact OG-N 3.25Å; S868-I900 VanDerWaalsContact CA-O 3.24Å; S868-I900 WeakPolarHBondContact CA-O 3.42Å; S868-I900 WeakPolarHBondContact CB-O 3.36Å; S868-D902 WeakPolarHBondContact O-CA 3.23Å; S868-D902 WeakPolarHBondContact O-CB 3.32Å
869	G	90.2	Very high	76.8	Confident	14 Å²	14	50.9 Å²	50.9	14%	0.144	29%	0.292	C	S	.	.			trans	62.5	18.3	-170.2	0	0	0	0	0	113.4	F759 E865 D902	F759-G869 WeakPolarHBondContact CD1-O 3.4Å; E865-G869 WeakPolarHBondContact O-CA 3.42Å; E865-G869 PolarHBondContact O-N 3.18Å; G869-D902 WeakPolarHBondContact CA-OD2 3.42Å
870	K	89	Confident	74	Confident	94 Å²	94	58 Å²	58	41%	0.409	33%	0.33	S	S	.	.			trans	-119.4	141.6	-179.7	-64.1	-176.4	-172.3	-176.3	0	111.4	F759 E865 S868 L884 W887	F759-K870 WeakPolarHBondContact CE1-O 3.34Å; E865-K870 WeakPolarHBondContact CG-O 3.26Å; S868-K870 PolarHBondContact O-N 2.85Å; S868-K870 PolarHBondContact OG-N 3.25Å; K870-L884 HydrophobicContact CB-CD1 3.81Å; K870-L884 HydrophobicContact CD-CD1 4.48Å; K870-W887 HydrophobicContact CD-CZ3 3.9Å
871	S	85.3	Confident	71.7	Confident	43 Å²	43	60.9 Å²	60.9	30%	0.301	35%	0.35	S	S	.	.			trans	-76.1	144.7	173	-176.5	0	0	0	0	111.2	F759 E865 T873	F759-S871 VanDerWaalsContact CZ-CA 3.49Å; E865-S871 VanDerWaalsContact OE1-CA 3.32Å; E865-S871 WeakPolarHBondContact OE1-CA 3.28Å; E865-S871 PolarHBondContact OE1-OG 3.19Å; S871-T873 PolarHBondContact O-N 3.1Å; S871-T873 PolarHBondContact OG-N 2.72Å; S871-T873 PolarHBondContact OG-OG1 3.19Å
872	N	79.3	Confident	69.8	Low	14 Å²	14	65.1 Å²	65.1	8%	0.075	38%	0.376	C	S	.	.	S	Bend	trans	-75.6	-8.3	172	-174.6	47.5	0	0	0	113.3	G838 V861 E865	G838-N872 PolarHBondContact O-ND2 3.46Å; V861-N872 HydrophobicContact CG1-CB 4.02Å; E865-N872 HydrophobicContact CG-CB 4.48Å; E865-N872 PolarHBondContact OE1-N 3.28Å
873	T	65.9	Low	68.7	Low	84 Å²	84	66.8 Å²	66.8	52%	0.515	39%	0.387	S	S	.	.	S	Bend	trans	-82.3	138.4	179.9	56	0	0	0	0	112.2	S871 Q875	S871-T873 PolarHBondContact O-N 3.1Å; S871-T873 PolarHBondContact OG-N 2.72Å; S871-T873 PolarHBondContact OG-OG1 3.19Å; T873-Q875 PolarHBondContact O-N 3.04Å
874	K	55	Low	68.1	Low	123 Å²	123	67.3 Å²	67.3	54%	0.535	39%	0.39	S	S	.	.			trans	-59.2	121.9	179	-76.8	-174.4	174.1	-175.7	0	109.6	Q876	K874-Q876 PolarHBondContact O-N 3.48Å
875	Q	41	Very low	67.8	Low	178 Å²	178	67.7 Å²	67.7	83%	0.832	39%	0.392	S	S	*	.			trans	-69.4	115.8	151.7	-76.9	-161.8	-12.4	0	0	107.3	T873 G877	T873-Q875 PolarHBondContact O-N 3.04Å; Q875-G877 PolarHBondContact O-N 3.13Å
876	Q	33.6	Very low	67.3	Low	203 Å²	203	70.2 Å²	70.2	95%	0.949	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	99	-178.4	-161.3	147.1	-2.1	0	0	109.1	K874	K874-Q876 PolarHBondContact O-N 3.48Å
877	G	37.8	Very low	66.8	Low	75 Å²	75	73.4 Å²	73.4	77%	0.773	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	156.9	-18.5	177.5	0	0	0	0	0	118.1	Q875	Q875-G877 PolarHBondContact O-N 3.13Å
878	N	35.8	Very low	66.5	Low	131 Å²	131	73.4 Å²	73.4	70%	0.701	42%	0.418	S	S	*	.			trans	-110.8	120.1	179.9	-92.8	-9.4	0	0	0	112.5	D880 S881	N878-D880 PolarHBondContact O-N 3.13Å; N878-S881 PolarHBondContact O-N 3.05Å
879	A	39.5	Very low	66.3	Low	107 Å²	107	74.6 Å²	74.6	88%	0.884	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-21.8	177.5	0	0	0	0	0	113.4
880	D	38.8	Very low	66	Low	150 Å²	150	77.5 Å²	77.5	80%	0.802	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	16.8	-176.5	-63.7	-32.7	0	0	0	114.2	N878 V882	N878-D880 PolarHBondContact O-N 3.13Å; D880-V882 PolarHBondContact O-N 3.06Å
881	S	48.1	Very low	66	Low	60 Å²	60	73.5 Å²	73.5	42%	0.42	42%	0.422	S	S	.	.			trans	-74	88.1	-178.6	71.4	0	0	0	0	111.8	N878	N878-S881 PolarHBondContact O-N 3.05Å
882	V	56.1	Low	66	Low	90 Å²	90	74 Å²	74	55%	0.545	42%	0.42	S	S	.	.			trans	-65.6	136.3	169.2	-177.6	0	0	0	0	109.1	D880 L884 N886 W887	D880-V882 PolarHBondContact O-N 3.06Å; V882-L884 PolarHBondContact O-N 3.01Å; V882-N886 HydrophobicContact CG1-CB 3.48Å; V882-N886 VanDerWaalsContact CG1-CB 3.48Å; V882-W887 HydrophobicContact CG1-CB 4.18Å
883	S	75.5	Confident	66.1	Low	34 Å²	34	79.6 Å²	79.6	24%	0.238	45%	0.445	C	S	.	.			trans	-53.1	141	171.7	168.2	0	0	0	0	110.3	I885 N886 W887	S883-I885 PolarHBondContact O-N 2.78Å; S883-I885 VanDerWaalsContact O-N 3.12Å; S883-N886 WeakPolarHBondContact O-CA 3.28Å; S883-N886 WeakPolarHBondContact O-CB 3.43Å; S883-N886 PolarHBondContact O-N 3.27Å; S883-W887 PolarHBondContact O-N 2.64Å
884	L	85.2	Confident	67.1	Low	12 Å²	12	79.7 Å²	79.7	6%	0.063	45%	0.446	C	S	.	.	H	α-helix	trans	-52	-39.2	-178.3	-157.6	81.3	0	0	0	112.3	M864 E865 K870 V882 W887 A888	M864-L884 HydrophobicContact CB-CD2 3.77Å; M864-L884 HydrophobicContact CG-CB 4.49Å; M864-L884 HydrophobicContact CG-CD2 3.35Å; M864-L884 HydrophobicContact CG-CG 3.74Å; E865-L884 HydrophobicContact CG-CD2 4.13Å; K870-L884 HydrophobicContact CB-CD1 3.81Å; K870-L884 HydrophobicContact CD-CD1 4.48Å; V882-L884 PolarHBondContact O-N 3.01Å; L884-W887 HydrophobicContact CD1-CE3 4.42Å; L884-W887 PolarHBondContact O-N 2.94Å; L884-A888 PolarHBondContact O-N 3.32Å
885	I	87.8	Confident	68.4	Low	7 Å²	7	76.6 Å²	76.6	4%	0.036	45%	0.449	C	S	.	.	H	α-helix	trans	-68.7	-42.2	176.6	-58.1	-57	0	0	0	111.9	M864 S883 W887 A888 L889 L922 T925	M864-I885 HydrophobicContact CB-CD1 3.9Å; M864-I885 HydrophobicContact CE-CD1 4.02Å; M864-I885 HydrophobicContact CG-CD1 4.03Å; S883-I885 PolarHBondContact O-N 2.78Å; S883-I885 VanDerWaalsContact O-N 3.12Å; I885-W887 VanDerWaalsContact C-N 3.3Å; I885-W887 PolarHBondContact O-N 3.02Å; I885-A888 PolarHBondContact O-N 2.74Å; I885-L889 HydrophobicContact CG2-CD1 4.29Å; I885-L889 WeakPolarHBondContact O-CG 3.33Å; I885-L889 PolarHBondContact O-N 3.3Å; I885-L922 HydrophobicContact CG2-CD2 4.4Å; I885-T925 HydrophobicContact CD1-CG2 3.79Å; I885-T925 HydrophobicContact CG1-CG2 4.17Å
886	N	84.5	Confident	70.7	Confident	53 Å²	53	71.9 Å²	71.9	28%	0.283	43%	0.429	S	S	.	.	H	α-helix	trans	-65.8	-35.7	176.6	-71.4	-5.4	0	0	0	111.6	V882 S883 L889 T890	V882-N886 HydrophobicContact CG1-CB 3.48Å; V882-N886 VanDerWaalsContact CG1-CB 3.48Å; S883-N886 WeakPolarHBondContact O-CA 3.28Å; S883-N886 WeakPolarHBondContact O-CB 3.43Å; S883-N886 PolarHBondContact O-N 3.27Å; N886-L889 PolarHBondContact O-N 2.95Å; N886-T890 PolarHBondContact O-N 3.36Å; N886-T890 PolarHBondContact O-OG1 2.84Å
887	W	86.6	Confident	73.3	Confident	68 Å²	68	63.2 Å²	63.2	26%	0.258	39%	0.389	S	S	.	.	H	α-helix	trans	-65.6	-45.3	174.2	-175.2	27.9	0	0	0	110.9	K870 V882 S883 L884 I885 L889 T890 L891 I900	K870-W887 HydrophobicContact CD-CZ3 3.9Å; V882-W887 HydrophobicContact CG1-CB 4.18Å; S883-W887 PolarHBondContact O-N 2.64Å; L884-W887 HydrophobicContact CD1-CE3 4.42Å; L884-W887 PolarHBondContact O-N 2.94Å; I885-W887 VanDerWaalsContact C-N 3.3Å; I885-W887 PolarHBondContact O-N 3.02Å; W887-L889 PolarHBondContact O-N 2.97Å; W887-T890 WeakPolarHBondContact O-CB 3.34Å; W887-T890 PolarHBondContact O-N 2.87Å; W887-L891 HydrophobicContact CD2-CD1 4.37Å; W887-L891 HydrophobicContact CG-CD1 4.45Å; W887-L891 HydrophobicContact CZ2-CD1 4.22Å; W887-L891 WeakPolarHBondContact O-CG 3.4Å; W887-L891 PolarHBondContact O-N 3.21Å; W887-I900 HydrophobicContact CE3-CD1 4.21Å; W887-I900 HydrophobicContact CE3-CG1 4.02Å; W887-I900 HydrophobicContact CH2-CG1 4.38Å; W887-I900 HydrophobicContact CZ3-CG1 3.88Å
888	A	89.5	Confident	75.9	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.008	37%	0.367	C	S	.	.	H	α-helix	trans	-59.7	-42.5	174.7	0	0	0	0	0	113.2	M864 L884 I885 T890 L891 Q892 I900 L922	M864-A888 HydrophobicContact CE-CB 3.38Å; M864-A888 HydrophobicContact SD-CB 3.86Å; L884-A888 PolarHBondContact O-N 3.32Å; I885-A888 PolarHBondContact O-N 2.74Å; A888-T890 VanDerWaalsContact C-N 3.32Å; A888-T890 PolarHBondContact O-N 3.09Å; A888-L891 PolarHBondContact O-N 3.08Å; A888-Q892 WeakPolarHBondContact O-CB 3.44Å; A888-Q892 PolarHBondContact O-N 3.16Å; A888-I900 HydrophobicContact CB-CD1 3.56Å; A888-L922 HydrophobicContact CB-CD2 3.96Å
889	L	87	Confident	78.5	Confident	26 Å²	26	61.8 Å²	61.8	14%	0.136	36%	0.36	C	S	.	.	H	α-helix	trans	-61.5	-41.1	175.5	-76.1	169.4	0	0	0	111.8	I885 N886 W887 Q892 Q893 L922 Y958	I885-L889 HydrophobicContact CG2-CD1 4.29Å; I885-L889 WeakPolarHBondContact O-CG 3.33Å; I885-L889 PolarHBondContact O-N 3.3Å; N886-L889 PolarHBondContact O-N 2.95Å; W887-L889 PolarHBondContact O-N 2.97Å; L889-Q892 PolarHBondContact O-N 3.13Å; L889-Q893 WeakPolarHBondContact O-CG 3.38Å; L889-Q893 PolarHBondContact O-N 3.17Å; L889-Q893 VanDerWaalsContact O-N 3.13Å; L889-L922 HydrophobicContact CD2-CD2 3.8Å; L889-L922 HydrophobicContact CG-CD2 3.83Å; L889-Y958 HydrophobicContact CD1-CE1 4.38Å; L889-Y958 HydrophobicContact CD1-CE2 4.07Å
890	T	85.1	Confident	81	Confident	74 Å²	74	56.8 Å²	56.8	45%	0.454	32%	0.318	S	S	.	.	H	α-helix	trans	-63.4	-47.5	177	-53.9	0	0	0	0	110.8	N886 W887 A888 Q892 Q893 T894	N886-T890 PolarHBondContact O-N 3.36Å; N886-T890 PolarHBondContact O-OG1 2.84Å; W887-T890 WeakPolarHBondContact O-CB 3.34Å; W887-T890 PolarHBondContact O-N 2.87Å; A888-T890 VanDerWaalsContact C-N 3.32Å; A888-T890 PolarHBondContact O-N 3.09Å; T890-Q892 VanDerWaalsContact C-N 3.33Å; T890-Q892 PolarHBondContact O-N 3.19Å; T890-Q893 WeakPolarHBondContact O-CB 3.5Å; T890-Q893 PolarHBondContact O-N 3.23Å; T890-Q893 VanDerWaalsContact O-N 3.14Å; T890-T894 PolarHBondContact O-N 3.12Å; T890-T894 VanDerWaalsContact O-N 3.09Å
891	L	88.2	Confident	83.6	Confident	10 Å²	10	50.1 Å²	50.1	5%	0.052	28%	0.283	C	S	.	.	H	α-helix	trans	-64.8	-34.9	177.7	-69	173	0	0	0	112.7	W887 A888 Q893 T894 G895 D896 I897 E899 I900	W887-L891 HydrophobicContact CD2-CD1 4.37Å; W887-L891 HydrophobicContact CG-CD1 4.45Å; W887-L891 HydrophobicContact CZ2-CD1 4.22Å; W887-L891 WeakPolarHBondContact O-CG 3.4Å; W887-L891 PolarHBondContact O-N 3.21Å; A888-L891 PolarHBondContact O-N 3.08Å; L891-Q893 VanDerWaalsContact C-N 3.29Å; L891-Q893 PolarHBondContact O-N 2.85Å; L891-T894 PolarHBondContact O-N 2.95Å; L891-T894 PolarHBondContact O-OG1 3.4Å; L891-G895 CarbonylContact O-C 3.55Å; L891-G895 PolarHBondContact O-N 3.38Å; L891-D896 HydrophobicContact CD2-CB 4.15Å; L891-D896 PolarHBondContact O-N 2.97Å; L891-I897 PolarHBondContact O-N 2.92Å; L891-E899 HydrophobicContact CD1-CB 4.09Å; L891-E899 HydrophobicContact CD2-CB 4.02Å; L891-I900 HydrophobicContact CD1-CB 3.8Å
892	Q	85.9	Confident	85.7	Confident	54 Å²	54	48.2 Å²	48.2	25%	0.252	27%	0.268	S	S	.	.	H	α-helix	trans	-64.5	-35.9	173.9	-177.1	170.7	-77.4	0	0	111.8	A888 L889 T890 I897 L922	A888-Q892 WeakPolarHBondContact O-CB 3.44Å; A888-Q892 PolarHBondContact O-N 3.16Å; L889-Q892 PolarHBondContact O-N 3.13Å; T890-Q892 VanDerWaalsContact C-N 3.33Å; T890-Q892 PolarHBondContact O-N 3.19Å; Q892-I897 HydrophobicContact CB-CD1 4.23Å; Q892-I897 HydrophobicContact CG-CD1 4.32Å; Q892-L922 HydrophobicContact CB-CD1 4.37Å
893	Q	81	Confident	87.2	Confident	131 Å²	131	54.2 Å²	54.2	61%	0.612	28%	0.281	S	S	*	.	H	α-helix	trans	-72	-37	177.9	-72.1	174.5	2.3	0	0	112.7	L889 T890 L891 G895	L889-Q893 WeakPolarHBondContact O-CG 3.38Å; L889-Q893 PolarHBondContact O-N 3.17Å; L889-Q893 VanDerWaalsContact O-N 3.13Å; T890-Q893 WeakPolarHBondContact O-CB 3.5Å; T890-Q893 PolarHBondContact O-N 3.23Å; T890-Q893 VanDerWaalsContact O-N 3.14Å; L891-Q893 VanDerWaalsContact C-N 3.29Å; L891-Q893 PolarHBondContact O-N 2.85Å; Q893-G895 VanDerWaalsContact C-N 3.31Å
894	T	86	Confident	87.8	Confident	86 Å²	86	58 Å²	58	53%	0.528	30%	0.297	S	S	.	.	H	α-helix	trans	-77.9	-18.3	176.5	65.2	0	0	0	0	112.9	T890 L891 D896	T890-T894 PolarHBondContact O-N 3.12Å; T890-T894 VanDerWaalsContact O-N 3.09Å; L891-T894 PolarHBondContact O-N 2.95Å; L891-T894 PolarHBondContact O-OG1 3.4Å; T894-D896 VanDerWaalsContact CB-OD2 3.27Å; T894-D896 WeakPolarHBondContact CB-OD2 3.37Å; T894-D896 PolarHBondContact OG1-OD2 3.42Å
895	G	83.1	Confident	88	Confident	59 Å²	59	58 Å²	58	61%	0.608	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.2	1	-177.2	0	0	0	0	0	113.9	L891 Q893 I897	L891-G895 CarbonylContact O-C 3.55Å; L891-G895 PolarHBondContact O-N 3.38Å; Q893-G895 VanDerWaalsContact C-N 3.31Å; G895-I897 VanDerWaalsContact C-N 3.33Å; G895-I897 PolarHBondContact O-N 3.3Å
896	D	88.7	Confident	87.9	Confident	78 Å²	78	65 Å²	65	42%	0.417	33%	0.329	S	S	.	.			trans	-97.2	32.8	-173.9	-52.9	-58.2	0	0	0	112.5	L891 T894 L898 E899	L891-D896 HydrophobicContact CD2-CB 4.15Å; L891-D896 PolarHBondContact O-N 2.97Å; T894-D896 VanDerWaalsContact CB-OD2 3.27Å; T894-D896 WeakPolarHBondContact CB-OD2 3.37Å; T894-D896 PolarHBondContact OG1-OD2 3.42Å; D896-L898 PolarHBondContact O-N 2.98Å; D896-E899 HydrophobicContact CB-CG 4.06Å; D896-E899 WeakPolarHBondContact O-CB 3.19Å; D896-E899 PolarHBondContact O-N 3.16Å
897	I	88.8	Confident	87.8	Confident	21 Å²	21	65.1 Å²	65.1	11%	0.108	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-53.4	-28.5	-170.4	-161.9	168.7	0	0	0	114.3	L891 Q892 G895 E899 I900 V915 I918 K919	L891-I897 PolarHBondContact O-N 2.92Å; Q892-I897 HydrophobicContact CB-CD1 4.23Å; Q892-I897 HydrophobicContact CG-CD1 4.32Å; G895-I897 VanDerWaalsContact C-N 3.33Å; G895-I897 PolarHBondContact O-N 3.3Å; I897-E899 VanDerWaalsContact C-N 3.29Å; I897-E899 PolarHBondContact O-N 3.12Å; I897-I900 VanDerWaalsContact O-CG2 3.23Å; I897-I900 WeakPolarHBondContact O-CG2 3.49Å; I897-V915 HydrophobicContact CG2-CG2 4.2Å; I897-I918 HydrophobicContact CD1-CB 4.2Å; I897-I918 HydrophobicContact CD1-CG2 3.61Å; I897-I918 HydrophobicContact CG1-CB 4.33Å; I897-I918 HydrophobicContact CG1-CD1 4.2Å; I897-I918 HydrophobicContact CG1-CG2 3.63Å; I897-K919 HydrophobicContact CD1-CG 4.45Å
898	L	92.2	Very high	88	Confident	57 Å²	57	69.7 Å²	69.7	30%	0.298	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-73.4	-13.9	179.6	-75.2	175.1	0	0	0	114	D896 I900 V901 F909 R911 A914 V915	D896-L898 PolarHBondContact O-N 2.98Å; L898-I900 PolarHBondContact O-N 3.19Å; L898-V901 HydrophobicContact CD2-CG2 3.98Å; L898-V901 WeakPolarHBondContact O-CB 3.13Å; L898-V901 WeakPolarHBondContact O-CG2 3.33Å; L898-V901 PolarHBondContact O-N 2.79Å; L898-V901 VanDerWaalsContact O-N 3.14Å; L898-F909 HydrophobicContact CD2-CE2 3.94Å; L898-F909 HydrophobicContact CD2-CZ 4.43Å; L898-R911 HydrophobicContact CD1-CG 4.48Å; L898-A914 HydrophobicContact CD2-CB 4.26Å; L898-V915 HydrophobicContact CD2-CG2 3.74Å; L898-V915 HydrophobicContact CG-CG2 4.05Å
899	E	90.7	Very high	88.2	Confident	120 Å²	120	71.7 Å²	71.7	56%	0.561	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-65	-19.2	176.6	-71.6	-164.5	170.1	0	0	113.5	L891 D896 I897 V901	L891-E899 HydrophobicContact CD1-CB 4.09Å; L891-E899 HydrophobicContact CD2-CB 4.02Å; D896-E899 HydrophobicContact CB-CG 4.06Å; D896-E899 WeakPolarHBondContact O-CB 3.19Å; D896-E899 PolarHBondContact O-N 3.16Å; I897-E899 VanDerWaalsContact C-N 3.29Å; I897-E899 PolarHBondContact O-N 3.12Å; E899-V901 VanDerWaalsContact C-N 3.29Å
900	I	92.7	Very high	88.5	Confident	1 Å²	1	73.6 Å²	73.6	1%	0.005	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-74.8	-20.8	177	-157.6	162.5	0	0	0	112.7	M864 S868 W887 A888 L891 I897 L898 I918	M864-I900 HydrophobicContact CG-CD1 4.28Å; M864-I900 HydrophobicContact SD-CD1 3.61Å; S868-I900 VanDerWaalsContact CA-O 3.24Å; S868-I900 WeakPolarHBondContact CA-O 3.42Å; S868-I900 WeakPolarHBondContact CB-O 3.36Å; W887-I900 HydrophobicContact CE3-CD1 4.21Å; W887-I900 HydrophobicContact CE3-CG1 4.02Å; W887-I900 HydrophobicContact CH2-CG1 4.38Å; W887-I900 HydrophobicContact CZ3-CG1 3.88Å; A888-I900 HydrophobicContact CB-CD1 3.56Å; L891-I900 HydrophobicContact CD1-CB 3.8Å; I897-I900 VanDerWaalsContact O-CG2 3.23Å; I897-I900 WeakPolarHBondContact O-CG2 3.49Å; L898-I900 PolarHBondContact O-N 3.19Å; I900-I918 HydrophobicContact CG2-CD1 3.53Å; I900-I918 HydrophobicContact CG2-CG1 3.96Å
901	V	93.5	Very high	88.9	Confident	11 Å²	11	78.5 Å²	78.5	7%	0.067	40%	0.396	C	S	.	.	S	Bend	trans	-62.6	138.7	-175.4	-179.5	0	0	0	0	110	V867 L898 E899 R903 L905 F909 A914 I918	V867-V901 HydrophobicContact CG2-CG2 3.99Å; V867-V901 WeakPolarHBondContact O-CA 3.42Å; L898-V901 HydrophobicContact CD2-CG2 3.98Å; L898-V901 WeakPolarHBondContact O-CB 3.13Å; L898-V901 WeakPolarHBondContact O-CG2 3.33Å; L898-V901 PolarHBondContact O-N 2.79Å; L898-V901 VanDerWaalsContact O-N 3.14Å; E899-V901 VanDerWaalsContact C-N 3.29Å; V901-R903 PolarHBondContact O-N 2.84Å; V901-L905 HydrophobicContact CG1-CD1 3.87Å; V901-F909 HydrophobicContact CB-CE1 4.37Å; V901-F909 HydrophobicContact CB-CE2 4.5Å; V901-F909 HydrophobicContact CB-CZ 4.12Å; V901-F909 HydrophobicContact CG1-CD1 3.87Å; V901-F909 HydrophobicContact CG1-CD2 4.23Å; V901-F909 HydrophobicContact CG1-CE1 3.69Å; V901-F909 HydrophobicContact CG1-CE2 4.07Å; V901-F909 HydrophobicContact CG1-CG 4.14Å; V901-F909 HydrophobicContact CG1-CZ 3.79Å; V901-F909 HydrophobicContact CG2-CE2 4.15Å; V901-F909 HydrophobicContact CG2-CZ 4.18Å; V901-A914 HydrophobicContact CG2-CB 4.21Å; V901-I918 HydrophobicContact CG2-CD1 4.19Å
902	D	91.3	Very high	89.1	Confident	19 Å²	19	82.3 Å²	82.3	10%	0.102	42%	0.424	C	S	.	.			trans	-53.7	124.1	-177.4	-169.3	-11.5	0	0	0	112.4	R771 V867 S868 G869 M904 L905	R771-D902 IonicContact CZ-OD2 3.38Å; R771-D902 VanDerWaalsContact NH1-CB 3.25Å; R771-D902 IonicContact NH1-OD2 2.8Å; R771-D902 PolarHBondContact NH1-OD2 2.94Å; R771-D902 IonicContact NH2-OD2 3.3Å; R771-D902 PolarHBondContact NH2-OD2 2.9Å; V867-D902 PolarHBondContact O-N 3.09Å; S868-D902 WeakPolarHBondContact O-CA 3.23Å; S868-D902 WeakPolarHBondContact O-CB 3.32Å; G869-D902 WeakPolarHBondContact CA-OD2 3.42Å; D902-M904 PolarHBondContact O-N 3.47Å; D902-M904 WeakPolarHBondContact OD1-CB 3.24Å; D902-M904 WeakPolarHBondContact OD1-CG 3.4Å; D902-M904 PolarHBondContact OD1-N 3.32Å; D902-L905 HydrophobicContact CB-CD1 4.13Å; D902-L905 HydrophobicContact CB-CG 4.26Å; D902-L905 WeakPolarHBondContact O-CB 3.24Å; D902-L905 PolarHBondContact O-N 3.04Å; D902-L905 VanDerWaalsContact O-N 3.15Å
903	R	88.6	Confident	89.5	Confident	216 Å²	216	82.7 Å²	82.7	82%	0.815	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-65.2	-24.4	178.9	-63.6	-177.9	-179.1	175.4	-1.7	112.4	V901 L905 E906	V901-R903 PolarHBondContact O-N 2.84Å; R903-L905 PolarHBondContact O-N 2.81Å; R903-E906 PolarHBondContact O-N 3.32Å
904	M	86.3	Confident	90.1	Very high	115 Å²	115	76.4 Å²	76.4	57%	0.567	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-67.2	-14.7	176.7	-65.9	-60.2	-56.1	0	0	113.3	D902	D902-M904 PolarHBondContact O-N 3.47Å; D902-M904 WeakPolarHBondContact OD1-CB 3.24Å; D902-M904 WeakPolarHBondContact OD1-CG 3.4Å; D902-M904 PolarHBondContact OD1-N 3.32Å
905	L	90	Very high	90.5	Very high	12 Å²	12	74 Å²	74	6%	0.063	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-77.5	-9.2	171.9	-65.9	168.4	0	0	0	112.3	W768 V901 D902 R903 G907 E908 F909	W768-L905 HydrophobicContact CE3-CD1 3.84Å; W768-L905 HydrophobicContact CZ3-CD1 4.41Å; V901-L905 HydrophobicContact CG1-CD1 3.87Å; D902-L905 HydrophobicContact CB-CD1 4.13Å; D902-L905 HydrophobicContact CB-CG 4.26Å; D902-L905 WeakPolarHBondContact O-CB 3.24Å; D902-L905 PolarHBondContact O-N 3.04Å; D902-L905 VanDerWaalsContact O-N 3.15Å; R903-L905 PolarHBondContact O-N 2.81Å; L905-G907 PolarHBondContact O-N 2.93Å; L905-E908 WeakPolarHBondContact O-CB 3.45Å; L905-E908 PolarHBondContact O-N 3.12Å; L905-F909 HydrophobicContact CB-CD1 4.26Å; L905-F909 HydrophobicContact CD1-CB 4.32Å; L905-F909 HydrophobicContact CD1-CD1 4.48Å
906	E	85.9	Confident	91	Very high	153 Å²	153	74.4 Å²	74.4	72%	0.715	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	23.5	174.4	-62.4	179.3	-162.5	0	0	114.7	R903	R903-E906 PolarHBondContact O-N 3.32Å
907	G	83.3	Confident	91.4	Very high	56 Å²	56	70.7 Å²	70.7	58%	0.577	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	-4.6	-176.2	0	0	0	0	0	115.3	L905 F909	L905-G907 PolarHBondContact O-N 2.93Å; G907-F909 VanDerWaalsContact C-N 3.28Å; G907-F909 PolarHBondContact O-N 3.15Å
908	E	89.5	Confident	91.7	Very high	164 Å²	164	69.7 Å²	69.7	77%	0.766	34%	0.339	S	S	*	.			trans	-81.1	65.9	177.7	-60.2	-168.7	164.1	0	0	111.9	L905	L905-E908 WeakPolarHBondContact O-CB 3.45Å; L905-E908 PolarHBondContact O-N 3.12Å
909	F	93.5	Very high	91.7	Very high	42 Å²	42	70.3 Å²	70.3	18%	0.184	34%	0.34	C	S	.	.	S	Bend	trans	-145.1	153.8	175.9	63.7	-90.5	0	0	0	112.5	W768 L898 V901 L905 G907 R911 A914	W768-F909 HydrophobicContact CB-CB 3.69Å; W768-F909 HydrophobicContact CD2-CB 3.52Å; W768-F909 HydrophobicContact CE3-CB 3.65Å; W768-F909 HydrophobicContact CE3-CG 4.48Å; W768-F909 HydrophobicContact CG-CB 3.5Å; W768-F909 VanDerWaalsContact CG-CB 3.5Å; L898-F909 HydrophobicContact CD2-CE2 3.94Å; L898-F909 HydrophobicContact CD2-CZ 4.43Å; V901-F909 HydrophobicContact CB-CE1 4.37Å; V901-F909 HydrophobicContact CB-CE2 4.5Å; V901-F909 HydrophobicContact CB-CZ 4.12Å; V901-F909 HydrophobicContact CG1-CD1 3.87Å; V901-F909 HydrophobicContact CG1-CD2 4.23Å; V901-F909 HydrophobicContact CG1-CE1 3.69Å; V901-F909 HydrophobicContact CG1-CE2 4.07Å; V901-F909 HydrophobicContact CG1-CG 4.14Å; V901-F909 HydrophobicContact CG1-CZ 3.79Å; V901-F909 HydrophobicContact CG2-CE2 4.15Å; V901-F909 HydrophobicContact CG2-CZ 4.18Å; L905-F909 HydrophobicContact CB-CD1 4.26Å; L905-F909 HydrophobicContact CD1-CB 4.32Å; L905-F909 HydrophobicContact CD1-CD1 4.48Å; G907-F909 VanDerWaalsContact C-N 3.28Å; G907-F909 PolarHBondContact O-N 3.15Å; F909-R911 HydrophobicContact CD2-CG 4.45Å; F909-R911 HydrophobicContact CE2-CG 3.94Å; F909-R911 PolarHBondContact O-N 2.91Å; F909-R911 VanDerWaalsContact O-N 3.16Å; F909-A914 HydrophobicContact CD2-CB 3.75Å; F909-A914 HydrophobicContact CE2-CB 3.95Å
910	N	94.4	Very high	92	Very high	67 Å²	67	64.6 Å²	64.6	36%	0.358	31%	0.313	S	S	.	.			trans	-75.4	106.8	173.9	-176	-23.4	0	0	0	109.5	W768 S912 E913 A914	W768-N910 VanDerWaalsContact CD1-N 3.34Å; N910-S912 VanDerWaalsContact C-N 3.26Å; N910-S912 PolarHBondContact O-N 3.4Å; N910-S912 WeakPolarHBondContact OD1-CB 3.35Å; N910-S912 PolarHBondContact OD1-N 2.89Å; N910-E913 HydrophobicContact CB-CB 4.06Å; N910-E913 HydrophobicContact CB-CG 4.07Å; N910-E913 PolarHBondContact ND2-OE1 3.41Å; N910-E913 PolarHBondContact O-N 3.35Å; N910-E913 PolarHBondContact OD1-N 2.7Å; N910-A914 WeakPolarHBondContact O-CB 3.44Å; N910-A914 PolarHBondContact O-N 2.92Å
911	R	93.1	Very high	92.1	Very high	177 Å²	177	64.6 Å²	64.6	67%	0.668	31%	0.313	S	S	*	.	H	α-helix	trans	-55.5	-38.6	-178.6	-66.5	-175.9	178	-169.1	-1.2	113.1	L898 F909 A914 V915	L898-R911 HydrophobicContact CD1-CG 4.48Å; F909-R911 HydrophobicContact CD2-CG 4.45Å; F909-R911 HydrophobicContact CE2-CG 3.94Å; F909-R911 PolarHBondContact O-N 2.91Å; F909-R911 VanDerWaalsContact O-N 3.16Å; R911-A914 PolarHBondContact O-N 2.73Å; R911-V915 WeakPolarHBondContact O-CG2 3.39Å; R911-V915 PolarHBondContact O-N 3.12Å
912	S	92.2	Very high	92.1	Very high	89 Å²	89	64.6 Å²	64.6	62%	0.622	31%	0.313	S	S	*	.	H	α-helix	trans	-68.3	-42.3	-178.6	-61.3	0	0	0	0	111.6	N910 R916	N910-S912 VanDerWaalsContact C-N 3.26Å; N910-S912 PolarHBondContact O-N 3.4Å; N910-S912 WeakPolarHBondContact OD1-CB 3.35Å; N910-S912 PolarHBondContact OD1-N 2.89Å; S912-R916 VanDerWaalsContact O-CB 3.25Å; S912-R916 WeakPolarHBondContact O-CB 3.5Å; S912-R916 PolarHBondContact O-N 3.07Å; S912-R916 VanDerWaalsContact O-N 3.12Å
913	E	94.7	Very high	92.3	Very high	62 Å²	62	64.4 Å²	64.4	29%	0.29	31%	0.312	S	S	.	.	H	α-helix	trans	-68	-39.5	175.3	-68.6	168.3	-163.6	0	0	111.3	W768 N910 R916 M917	W768-E913 HydrophobicContact CZ2-CB 3.74Å; W768-E913 PolarHBondContact NE1-OE2 2.75Å; N910-E913 HydrophobicContact CB-CB 4.06Å; N910-E913 HydrophobicContact CB-CG 4.07Å; N910-E913 PolarHBondContact ND2-OE1 3.41Å; N910-E913 PolarHBondContact O-N 3.35Å; N910-E913 PolarHBondContact OD1-N 2.7Å; E913-R916 WeakPolarHBondContact O-CB 3.25Å; E913-R916 PolarHBondContact O-N 3.07Å; E913-M917 PolarHBondContact O-N 3.39Å
914	A	94.7	Very high	92.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.9	-49.3	178.2	0	0	0	0	0	112.2	W768 L898 V901 F909 N910 R911 R916 M917 I918	W768-A914 HydrophobicContact CH2-CB 3.53Å; W768-A914 HydrophobicContact CZ2-CB 3.8Å; W768-A914 VanDerWaalsContact CZ2-N 3.33Å; W768-A914 HydrophobicContact CZ3-CB 4.09Å; L898-A914 HydrophobicContact CD2-CB 4.26Å; V901-A914 HydrophobicContact CG2-CB 4.21Å; F909-A914 HydrophobicContact CD2-CB 3.75Å; F909-A914 HydrophobicContact CE2-CB 3.95Å; N910-A914 WeakPolarHBondContact O-CB 3.44Å; N910-A914 PolarHBondContact O-N 2.92Å; R911-A914 PolarHBondContact O-N 2.73Å; A914-R916 PolarHBondContact O-N 3.36Å; A914-M917 PolarHBondContact O-N 3.22Å; A914-I918 WeakPolarHBondContact O-CD1 3.25Å; A914-I918 VanDerWaalsContact O-CG1 3.22Å; A914-I918 WeakPolarHBondContact O-CG1 3.23Å; A914-I918 PolarHBondContact O-N 2.86Å
915	V	93.5	Very high	93	Very high	35 Å²	35	48.9 Å²	48.9	21%	0.212	25%	0.247	C	C	.	.	H	α-helix	trans	-59.2	-40	175.1	171.9	0	0	0	0	111	I897 L898 R911 K919	I897-V915 HydrophobicContact CG2-CG2 4.2Å; L898-V915 HydrophobicContact CD2-CG2 3.74Å; L898-V915 HydrophobicContact CG-CG2 4.05Å; R911-V915 WeakPolarHBondContact O-CG2 3.39Å; R911-V915 PolarHBondContact O-N 3.12Å; V915-K919 HydrophobicContact CG1-CD 4.07Å; V915-K919 HydrophobicContact CG1-CG 4.47Å; V915-K919 WeakPolarHBondContact O-CB 3.32Å; V915-K919 VanDerWaalsContact O-CG 3.3Å; V915-K919 WeakPolarHBondContact O-CG 3.44Å; V915-K919 PolarHBondContact O-N 3Å
916	R	93.5	Very high	93	Very high	68 Å²	68	49.2 Å²	49.2	26%	0.257	25%	0.249	S	C	.	.	H	α-helix	trans	-63.5	-48.7	177.8	-177.9	176.2	-78.3	-81.3	7.7	111.4	S912 E913 A914 I918 K919 V920 M941 L942 G944 I946 I948	S912-R916 VanDerWaalsContact O-CB 3.25Å; S912-R916 WeakPolarHBondContact O-CB 3.5Å; S912-R916 PolarHBondContact O-N 3.07Å; S912-R916 VanDerWaalsContact O-N 3.12Å; E913-R916 WeakPolarHBondContact O-CB 3.25Å; E913-R916 PolarHBondContact O-N 3.07Å; A914-R916 PolarHBondContact O-N 3.36Å; R916-I918 PolarHBondContact O-N 2.61Å; R916-K919 PolarHBondContact O-N 3.01Å; R916-V920 WeakPolarHBondContact O-CG2 3Å; R916-V920 PolarHBondContact O-N 2.94Å; R916-M941 WeakPolarHBondContact CD-O 3.34Å; R916-M941 WeakPolarHBondContact CG-O 3.47Å; R916-M941 PolarHBondContact NH1-O 3.27Å; R916-L942 WeakPolarHBondContact CD-O 3.41Å; R916-G944 VanDerWaalsContact CZ-CA 3.48Å; R916-I946 PolarHBondContact NH1-O 3.4Å; R916-I946 VanDerWaalsContact NH1-O 3.11Å; R916-I948 HydrophobicContact CB-CD1 4.5Å; R916-I948 HydrophobicContact CG-CD1 3.88Å
917	M	96.6	Very high	93	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.5	-44.3	176.8	-172.4	-176.1	-62.8	0	0	111.9	W768 C775 A863 I866 V867 E913 A914 K919 V920 A921 L942	W768-M917 HydrophobicContact CH2-CE 4.06Å; W768-M917 HydrophobicContact CH2-SD 4.43Å; W768-M917 HydrophobicContact CZ2-CE 4.39Å; C775-M917 HydrophobicContact CB-CE 3.55Å; C775-M917 HydrophobicContact CB-SD 4.17Å; A863-M917 HydrophobicContact CB-CG 4.45Å; I866-M917 HydrophobicContact CB-SD 4.41Å; I866-M917 HydrophobicContact CG2-CE 4.45Å; I866-M917 HydrophobicContact CG2-SD 4.06Å; V867-M917 HydrophobicContact CB-SD 3.88Å; E913-M917 PolarHBondContact O-N 3.39Å; A914-M917 PolarHBondContact O-N 3.22Å; M917-K919 PolarHBondContact O-N 3.46Å; M917-V920 PolarHBondContact O-N 2.87Å; M917-A921 WeakPolarHBondContact O-CB 3.48Å; M917-A921 PolarHBondContact O-N 2.8Å; M917-L942 HydrophobicContact CB-CD2 4.19Å; M917-L942 HydrophobicContact CG-CD2 4.16Å
918	I	95	Very high	93.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.2	-44.4	177.9	-61.4	158.8	0	0	0	110.5	M864 V867 I897 I900 V901 A914 R916 A921 L922	M864-I918 HydrophobicContact CE-CG2 4.06Å; M864-I918 HydrophobicContact SD-CG2 4.25Å; V867-I918 HydrophobicContact CB-CG1 4.4Å; V867-I918 HydrophobicContact CG1-CG1 3.87Å; V867-I918 HydrophobicContact CG2-CD1 4.11Å; V867-I918 HydrophobicContact CG2-CG1 3.83Å; I897-I918 HydrophobicContact CD1-CB 4.2Å; I897-I918 HydrophobicContact CD1-CG2 3.61Å; I897-I918 HydrophobicContact CG1-CB 4.33Å; I897-I918 HydrophobicContact CG1-CD1 4.2Å; I897-I918 HydrophobicContact CG1-CG2 3.63Å; I900-I918 HydrophobicContact CG2-CD1 3.53Å; I900-I918 HydrophobicContact CG2-CG1 3.96Å; V901-I918 HydrophobicContact CG2-CD1 4.19Å; A914-I918 WeakPolarHBondContact O-CD1 3.25Å; A914-I918 VanDerWaalsContact O-CG1 3.22Å; A914-I918 WeakPolarHBondContact O-CG1 3.23Å; A914-I918 PolarHBondContact O-N 2.86Å; R916-I918 PolarHBondContact O-N 2.61Å; I918-A921 WeakPolarHBondContact O-CB 3Å; I918-A921 PolarHBondContact O-N 2.75Å; I918-L922 HydrophobicContact CG2-CD1 4.3Å; I918-L922 WeakPolarHBondContact O-CG 3.16Å; I918-L922 PolarHBondContact O-N 3.38Å
919	K	93.9	Very high	93.2	Very high	70 Å²	70	37.3 Å²	37.3	30%	0.304	19%	0.192	S	C	.	.	H	α-helix	trans	-63.8	-45.1	177.6	-76	178.9	178.6	-178.3	0	111.9	I897 V915 R916 M917 A921 L922 V923 I948	I897-K919 HydrophobicContact CD1-CG 4.45Å; V915-K919 HydrophobicContact CG1-CD 4.07Å; V915-K919 HydrophobicContact CG1-CG 4.47Å; V915-K919 WeakPolarHBondContact O-CB 3.32Å; V915-K919 VanDerWaalsContact O-CG 3.3Å; V915-K919 WeakPolarHBondContact O-CG 3.44Å; V915-K919 PolarHBondContact O-N 3Å; R916-K919 PolarHBondContact O-N 3.01Å; M917-K919 PolarHBondContact O-N 3.46Å; K919-A921 VanDerWaalsContact C-N 3.31Å; K919-A921 PolarHBondContact O-N 2.63Å; K919-L922 PolarHBondContact O-N 2.03Å; K919-L922 VanDerWaalsContact O-N 3.15Å; K919-V923 WeakPolarHBondContact O-CG2 3.45Å; K919-V923 PolarHBondContact O-N 3.04Å; K919-I948 HydrophobicContact CB-CD1 3.74Å; K919-I948 HydrophobicContact CB-CG2 4.17Å
920	V	95.5	Very high	93	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57	-47.4	174.6	172.8	0	0	0	0	110.3	F859 R916 M917 L922 V923 C924 A938 M941 L942 I948	F859-V920 HydrophobicContact CE1-CG1 4.23Å; R916-V920 WeakPolarHBondContact O-CG2 3Å; R916-V920 PolarHBondContact O-N 2.94Å; M917-V920 PolarHBondContact O-N 2.87Å; V920-L922 VanDerWaalsContact C-N 3.27Å; V920-L922 PolarHBondContact O-N 3.02Å; V920-V923 PolarHBondContact O-N 3.2Å; V920-C924 VanDerWaalsContact O-CB 3.28Å; V920-C924 WeakPolarHBondContact O-CB 3.48Å; V920-C924 PolarHBondContact O-N 3.34Å; V920-C924 PolarHBondContact O-SG 2.87Å; V920-A938 HydrophobicContact CG1-CB 4.33Å; V920-M941 HydrophobicContact CG2-CB 3.54Å; V920-M941 HydrophobicContact CG2-SD 4.39Å; V920-L942 HydrophobicContact CB-CD2 4.08Å; V920-L942 HydrophobicContact CB-CG 4.45Å; V920-L942 HydrophobicContact CG1-CD2 4.2Å; V920-L942 HydrophobicContact CG1-CG 4.17Å; V920-L942 HydrophobicContact CG2-CD2 4.04Å; V920-L942 HydrophobicContact CG2-CG 4.18Å; V920-I948 HydrophobicContact CG2-CD1 3.65Å; V920-I948 HydrophobicContact CG2-CG1 4.36Å
921	A	95.8	Very high	92.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-56.3	-40.5	177.2	0	0	0	0	0	112.6	G860 A863 M864 M917 I918 K919 T925	G860-A921 WeakPolarHBondContact O-CB 3.5Å; A863-A921 HydrophobicContact CB-CB 4.01Å; M864-A921 HydrophobicContact CB-CB 4.24Å; M864-A921 HydrophobicContact CE-CB 3.72Å; M917-A921 WeakPolarHBondContact O-CB 3.48Å; M917-A921 PolarHBondContact O-N 2.8Å; I918-A921 WeakPolarHBondContact O-CB 3Å; I918-A921 PolarHBondContact O-N 2.75Å; K919-A921 VanDerWaalsContact C-N 3.31Å; K919-A921 PolarHBondContact O-N 2.63Å; A921-T925 WeakPolarHBondContact O-CB 3.49Å; A921-T925 WeakPolarHBondContact O-CG2 3.06Å; A921-T925 PolarHBondContact O-N 3.36Å; A921-T925 PolarHBondContact O-OG1 2.89Å
922	L	93.5	Very high	92.8	Very high	12 Å²	12	33.4 Å²	33.4	6%	0.063	19%	0.192	C	C	.	.	H	α-helix	trans	-68.9	-42.6	177	-71.5	173.3	0	0	0	113.3	M864 I885 A888 L889 Q892 I918 K919 V920 T925 N926	M864-L922 HydrophobicContact CE-CD2 4.09Å; M864-L922 HydrophobicContact CE-CG 4.09Å; I885-L922 HydrophobicContact CG2-CD2 4.4Å; A888-L922 HydrophobicContact CB-CD2 3.96Å; L889-L922 HydrophobicContact CD2-CD2 3.8Å; L889-L922 HydrophobicContact CG-CD2 3.83Å; Q892-L922 HydrophobicContact CB-CD1 4.37Å; I918-L922 HydrophobicContact CG2-CD1 4.3Å; I918-L922 WeakPolarHBondContact O-CG 3.16Å; I918-L922 PolarHBondContact O-N 3.38Å; K919-L922 PolarHBondContact O-N 2.03Å; K919-L922 VanDerWaalsContact O-N 3.15Å; V920-L922 VanDerWaalsContact C-N 3.27Å; V920-L922 PolarHBondContact O-N 3.02Å; L922-T925 PolarHBondContact O-N 3Å; L922-T925 PolarHBondContact O-OG1 3.46Å; L922-N926 PolarHBondContact O-N 3.29Å
923	V	94.1	Very high	93	Very high	15 Å²	15	29.4 Å²	29.4	9%	0.091	16%	0.164	C	C	.	.	H	α-helix	trans	-67.2	-40.5	176.1	-169.8	0	0	0	0	110.6	K919 V920 T925 N926 I948 V951	K919-V923 WeakPolarHBondContact O-CG2 3.45Å; K919-V923 PolarHBondContact O-N 3.04Å; V920-V923 PolarHBondContact O-N 3.2Å; V923-T925 VanDerWaalsContact C-N 3.28Å; V923-T925 PolarHBondContact O-N 3.31Å; V923-N926 WeakPolarHBondContact O-CB 3.48Å; V923-N926 PolarHBondContact O-N 3.45Å; V923-I948 HydrophobicContact CG2-CG2 3.72Å; V923-V951 HydrophobicContact CB-CG2 4.26Å; V923-V951 HydrophobicContact CG1-CG2 4.06Å; V923-V951 HydrophobicContact CG2-CG2 3.79Å
924	C	95.9	Very high	93	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.8	-33.9	175	-74	0	0	0	0	112.7	V856 Y857 V920 N926 R932	V856-C924 HydrophobicContact CG1-CB 3.94Å; V856-C924 WeakPolarHBondContact O-CB 2.99Å; Y857-C924 VanDerWaalsContact CA-O 3.3Å; Y857-C924 WeakPolarHBondContact CA-O 3.39Å; V920-C924 VanDerWaalsContact O-CB 3.28Å; V920-C924 WeakPolarHBondContact O-CB 3.48Å; V920-C924 PolarHBondContact O-N 3.34Å; V920-C924 PolarHBondContact O-SG 2.87Å; C924-N926 VanDerWaalsContact C-N 3.33Å; C924-N926 PolarHBondContact O-N 2.86Å; C924-R932 WeakPolarHBondContact O-CD 3.28Å; C924-R932 WeakPolarHBondContact O-CG 3.08Å; C924-R932 PolarHBondContact O-NE 3.05Å
925	T	94.4	Very high	93	Very high	4 Å²	4	28.6 Å²	28.6	3%	0.025	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	14.9	179.3	52.3	0	0	0	0	114.4	Y857 V861 I885 A921 L922 V923 S927	Y857-T925 HydrophobicContact CD2-CG2 4.36Å; Y857-T925 HydrophobicContact CE2-CG2 4.3Å; Y857-T925 WeakPolarHBondContact CE2-O 3.2Å; V861-T925 HydrophobicContact CG2-CG2 3.91Å; I885-T925 HydrophobicContact CD1-CG2 3.79Å; I885-T925 HydrophobicContact CG1-CG2 4.17Å; A921-T925 WeakPolarHBondContact O-CB 3.49Å; A921-T925 WeakPolarHBondContact O-CG2 3.06Å; A921-T925 PolarHBondContact O-N 3.36Å; A921-T925 PolarHBondContact O-OG1 2.89Å; L922-T925 PolarHBondContact O-N 3Å; L922-T925 PolarHBondContact O-OG1 3.46Å; V923-T925 VanDerWaalsContact C-N 3.28Å; V923-T925 PolarHBondContact O-N 3.31Å; T925-S927 PolarHBondContact O-N 2.97Å
926	N	90.4	Very high	93.1	Very high	19 Å²	19	28 Å²	28	10%	0.102	16%	0.161	C	C	.	.			trans	-58	138.2	175.1	-164.9	-58.8	0	0	0	111	L922 V923 C924 S928 L931 R932	L922-N926 PolarHBondContact O-N 3.29Å; V923-N926 WeakPolarHBondContact O-CB 3.48Å; V923-N926 PolarHBondContact O-N 3.45Å; C924-N926 VanDerWaalsContact C-N 3.33Å; C924-N926 PolarHBondContact O-N 2.86Å; N926-S928 PolarHBondContact O-N 3.18Å; N926-S928 PolarHBondContact OD1-N 3.49Å; N926-L931 HydrophobicContact CB-CB 4.41Å; N926-R932 HydrophobicContact CB-CG 4.15Å; N926-R932 VanDerWaalsContact O-CZ 3.24Å; N926-R932 PolarHBondContact O-NE 2.93Å; N926-R932 PolarHBondContact O-NH2 2.86Å
927	S	85.4	Confident	93.2	Very high	46 Å²	46	29 Å²	29	32%	0.322	17%	0.169	S	C	.	.	S	Bend	trans	-62.9	-27.8	178.8	55.9	0	0	0	0	112.9	T925 R932	T925-S927 PolarHBondContact O-N 2.97Å; S927-R932 PolarHBondContact O-NH2 3.5Å
928	S	86.8	Confident	93.1	Very high	38 Å²	38	29 Å²	29	27%	0.266	17%	0.169	S	C	.	.	S	Bend	trans	-89.5	119.3	174.3	-173.8	0	0	0	0	111.4	N926 S930 L931	N926-S928 PolarHBondContact O-N 3.18Å; N926-S928 PolarHBondContact OD1-N 3.49Å; S928-S930 PolarHBondContact O-N 3.27Å; S928-S930 PolarHBondContact OG-OG 3.34Å; S928-L931 PolarHBondContact O-N 3.43Å; S928-L931 VanDerWaalsContact O-N 3.14Å
929	P	90.2	Very high	93.2	Very high	40 Å²	40	29.3 Å²	29.3	26%	0.26	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-64.5	-26.3	179.4	27.1	-36	0	0	0	113.4	E843 K853 L931 R932	E843-P929 HydrophobicContact CG-CB 4.34Å; E843-P929 HydrophobicContact CG-CG 4.04Å; K853-P929 HydrophobicContact CB-CB 3.99Å; K853-P929 HydrophobicContact CG-CB 4.38Å; K853-P929 PolarHBondContact NZ-O 3.04Å; P929-L931 VanDerWaalsContact C-N 3.28Å; P929-L931 PolarHBondContact O-N 2.87Å; P929-R932 PolarHBondContact O-N 3.31Å
930	S	89	Confident	93.3	Very high	94 Å²	94	30.3 Å²	30.3	66%	0.657	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-71.3	-22	177.3	58.5	0	0	0	0	113.4	S928	S928-S930 PolarHBondContact O-N 3.27Å; S928-S930 PolarHBondContact OG-OG 3.34Å
931	L	90.6	Very high	93.3	Very high	105 Å²	105	31.1 Å²	31.1	55%	0.55	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-91.8	-10.2	178.2	-62.8	-179.1	0	0	0	113	N926 S928 P929	N926-L931 HydrophobicContact CB-CB 4.41Å; S928-L931 PolarHBondContact O-N 3.43Å; S928-L931 VanDerWaalsContact O-N 3.14Å; P929-L931 VanDerWaalsContact C-N 3.28Å; P929-L931 PolarHBondContact O-N 2.87Å
932	R	94	Very high	93.3	Very high	5 Å²	5	31.3 Å²	31.3	2%	0.019	18%	0.18	C	C	.	.	S	Bend	trans	-74.4	145.8	173.3	-61.2	177.3	-165.3	143.7	15.7	109.6	E843 K853 V856 C924 N926 S927 P929	E843-R932 IonicContact OE1-CZ 3.36Å; E843-R932 IonicContact OE1-NH1 2.74Å; E843-R932 PolarHBondContact OE1-NH1 3.38Å; E843-R932 IonicContact OE1-NH2 3.59Å; E843-R932 IonicContact OE2-CZ 3.38Å; E843-R932 IonicContact OE2-NH1 2.77Å; E843-R932 PolarHBondContact OE2-NH1 2.04Å; E843-R932 IonicContact OE2-NH2 2.62Å; E843-R932 PolarHBondContact OE2-NH2 3.18Å; K853-R932 HydrophobicContact CD-CB 4.23Å; K853-R932 PolarHBondContact NZ-O 3.06Å; K853-R932 PolarHBondContact O-NH1 3.43Å; V856-R932 HydrophobicContact CG1-CB 4.08Å; C924-R932 WeakPolarHBondContact O-CD 3.28Å; C924-R932 WeakPolarHBondContact O-CG 3.08Å; C924-R932 PolarHBondContact O-NE 3.05Å; N926-R932 HydrophobicContact CB-CG 4.15Å; N926-R932 VanDerWaalsContact O-CZ 3.24Å; N926-R932 PolarHBondContact O-NE 2.93Å; N926-R932 PolarHBondContact O-NH2 2.86Å; S927-R932 PolarHBondContact O-NH2 3.5Å; P929-R932 PolarHBondContact O-N 3.31Å
933	P	95	Very high	93.4	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.032	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-67.7	168	173.1	31.9	-36.9	0	0	0	111.2	K853 V856 E937 A938 M941	K853-P933 WeakPolarHBondContact CE-O 3.47Å; V856-P933 HydrophobicContact CG1-CG 4.29Å; P933-E937 VanDerWaalsContact CA-OE2 3.25Å; P933-E937 WeakPolarHBondContact CA-OE2 3.41Å; P933-E937 HydrophobicContact CB-CB 3.79Å; P933-A938 HydrophobicContact CG-CB 4.29Å; P933-M941 HydrophobicContact CB-CE 3.98Å; P933-M941 HydrophobicContact CB-SD 4.36Å; P933-M941 HydrophobicContact CG-SD 4.49Å
934	T	94.7	Very high	93.2	Very high	44 Å²	44	35.1 Å²	35.1	27%	0.27	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-73.7	166.7	157.6	69.1	0	0	0	0	110.2	E937 A938	T934-E937 PolarHBondContact N-OE2 2.97Å; T934-E937 PolarHBondContact O-N 3.05Å; T934-E937 WeakPolarHBondContact OG1-CG 3.33Å; T934-E937 PolarHBondContact OG1-N 2.84Å; T934-E937 VanDerWaalsContact OG1-N 3.16Å; T934-A938 PolarHBondContact O-N 2.62Å
935	M	96.1	Very high	92.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.5	-34.1	176	-71.3	-57	-43.7	0	0	112.5	A779 L782 E783 H786 V856 F859 E937 A938 V939	A779-M935 HydrophobicContact CB-CE 3.75Å; L782-M935 HydrophobicContact CB-CB 4.35Å; L782-M935 HydrophobicContact CB-CE 3.96Å; L782-M935 HydrophobicContact CB-CG 3.79Å; L782-M935 HydrophobicContact CB-SD 4.23Å; L782-M935 HydrophobicContact CD1-CE 4Å; L782-M935 HydrophobicContact CD1-SD 4.07Å; E783-M935 HydrophobicContact CB-CB 4.11Å; H786-M935 WeakPolarHBondContact ND1-CG 3.14Å; V856-M935 HydrophobicContact CB-SD 4.22Å; V856-M935 HydrophobicContact CG1-SD 4.33Å; V856-M935 HydrophobicContact CG2-CG 3.88Å; V856-M935 HydrophobicContact CG2-SD 3.75Å; F859-M935 HydrophobicContact CB-SD 4.32Å; F859-M935 HydrophobicContact CD1-CE 3.85Å; F859-M935 HydrophobicContact CD1-SD 4.18Å; F859-M935 HydrophobicContact CD2-CE 4.19Å; F859-M935 HydrophobicContact CE1-CE 4.12Å; F859-M935 HydrophobicContact CE2-CE 4.44Å; F859-M935 HydrophobicContact CG-CE 3.9Å; F859-M935 HydrophobicContact CG-SD 4.25Å; F859-M935 HydrophobicContact CZ-CE 4.41Å; M935-E937 VanDerWaalsContact C-N 3.33Å; M935-E937 PolarHBondContact O-N 3.48Å; M935-A938 HydrophobicContact CE-CB 4.09Å; M935-A938 PolarHBondContact O-N 2.72Å; M935-A938 HydrophobicContact SD-CB 4.44Å; M935-V939 WeakPolarHBondContact O-CG2 3.45Å; M935-V939 PolarHBondContact O-N 3Å
936	S	94.9	Very high	92.8	Very high	24 Å²	24	44 Å²	44	17%	0.168	25%	0.248	C	C	.	.	H	α-helix	trans	-59.2	-41.7	169.7	-66.5	0	0	0	0	112.9	E783 K940	E783-S936 WeakPolarHBondContact CG-OG 3.33Å; E783-S936 VanDerWaalsContact OE1-CA 3.31Å; E783-S936 WeakPolarHBondContact OE1-CA 3.28Å; E783-S936 VanDerWaalsContact OE1-CB 3.22Å; E783-S936 WeakPolarHBondContact OE1-CB 3.41Å; E783-S936 PolarHBondContact OE1-OG 2.85Å; S936-K940 WeakPolarHBondContact O-CG 3.4Å; S936-K940 PolarHBondContact O-N 3.25Å
937	E	94.6	Very high	92.5	Very high	88 Å²	88	51.7 Å²	51.7	41%	0.411	28%	0.283	S	S	.	.	H	α-helix	trans	-65.8	-42.3	174	-73.7	172.1	159.2	0	0	111.1	P933 T934 M935 V939 K940 M941 I946	P933-E937 VanDerWaalsContact CA-OE2 3.25Å; P933-E937 WeakPolarHBondContact CA-OE2 3.41Å; P933-E937 HydrophobicContact CB-CB 3.79Å; T934-E937 PolarHBondContact N-OE2 2.97Å; T934-E937 PolarHBondContact O-N 3.05Å; T934-E937 WeakPolarHBondContact OG1-CG 3.33Å; T934-E937 PolarHBondContact OG1-N 2.84Å; T934-E937 VanDerWaalsContact OG1-N 3.16Å; M935-E937 VanDerWaalsContact C-N 3.33Å; M935-E937 PolarHBondContact O-N 3.48Å; E937-V939 PolarHBondContact O-N 3.2Å; E937-K940 PolarHBondContact O-N 3.15Å; E937-M941 HydrophobicContact CB-CE 4.36Å; E937-M941 WeakPolarHBondContact O-CB 3.29Å; E937-M941 VanDerWaalsContact O-CG 3.24Å; E937-M941 WeakPolarHBondContact O-CG 3.42Å; E937-M941 PolarHBondContact O-N 3.37Å; E937-I946 HydrophobicContact CB-CD1 4.41Å
938	A	96	Very high	92.6	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.9	-39.9	178	0	0	0	0	0	112.6	V920 P933 T934 M935 M941 L942	V920-A938 HydrophobicContact CG1-CB 4.33Å; P933-A938 HydrophobicContact CG-CB 4.29Å; T934-A938 PolarHBondContact O-N 2.62Å; M935-A938 HydrophobicContact CE-CB 4.09Å; M935-A938 PolarHBondContact O-N 2.72Å; M935-A938 HydrophobicContact SD-CB 4.44Å; A938-M941 PolarHBondContact O-N 3.41Å; A938-L942 VanDerWaalsContact O-CG 3.29Å; A938-L942 WeakPolarHBondContact O-CG 3.23Å; A938-L942 PolarHBondContact O-N 2.96Å
939	V	96.7	Very high	91.9	Very high	6 Å²	6	54.9 Å²	54.9	4%	0.036	30%	0.298	C	S	.	.	H	α-helix	trans	-59	-52.8	173.6	171.6	0	0	0	0	110.3	A779 R780 E783 M935 E937 M941 L942 E943	A779-V939 HydrophobicContact CB-CG2 3.59Å; R780-V939 HydrophobicContact CG-CG1 4.16Å; R780-V939 HydrophobicContact CG-CG2 4.12Å; E783-V939 HydrophobicContact CB-CG2 4.36Å; M935-V939 WeakPolarHBondContact O-CG2 3.45Å; M935-V939 PolarHBondContact O-N 3Å; E937-V939 PolarHBondContact O-N 3.2Å; V939-M941 VanDerWaalsContact C-N 3.29Å; V939-M941 PolarHBondContact O-N 3.17Å; V939-L942 PolarHBondContact O-N 3.35Å; V939-L942 VanDerWaalsContact O-N 3.08Å; V939-E943 HydrophobicContact CG1-CG 4.48Å; V939-E943 WeakPolarHBondContact O-CG 3.41Å; V939-E943 PolarHBondContact O-N 3.07Å
940	K	95.7	Very high	90.4	Very high	92 Å²	92	60.4 Å²	60.4	40%	0.4	32%	0.32	S	S	.	.	H	α-helix	trans	-60.4	-37.1	177.7	-68.1	178.3	-179.2	177.3	0	112.9	S936 E937 G944 E945 I946	S936-K940 WeakPolarHBondContact O-CG 3.4Å; S936-K940 PolarHBondContact O-N 3.25Å; E937-K940 PolarHBondContact O-N 3.15Å; K940-G944 PolarHBondContact O-N 3.23Å; K940-G944 VanDerWaalsContact O-N 3.1Å; K940-E945 HydrophobicContact CB-CB 4.19Å; K940-E945 PolarHBondContact O-N 3.08Å; K940-I946 HydrophobicContact CB-CD1 3.88Å; K940-I946 HydrophobicContact CB-CG1 3.82Å; K940-I946 HydrophobicContact CB-CG2 4.35Å
941	M	95.9	Very high	88.8	Confident	17 Å²	17	58.1 Å²	58.1	8%	0.084	30%	0.302	C	S	.	.	H	α-helix	trans	-65.3	-39.2	175.5	-74	177.9	-169.2	0	0	111.8	R916 V920 P933 E937 A938 V939 I946 I948	R916-M941 WeakPolarHBondContact CD-O 3.34Å; R916-M941 WeakPolarHBondContact CG-O 3.47Å; R916-M941 PolarHBondContact NH1-O 3.27Å; V920-M941 HydrophobicContact CG2-CB 3.54Å; V920-M941 HydrophobicContact CG2-SD 4.39Å; P933-M941 HydrophobicContact CB-CE 3.98Å; P933-M941 HydrophobicContact CB-SD 4.36Å; P933-M941 HydrophobicContact CG-SD 4.49Å; E937-M941 HydrophobicContact CB-CE 4.36Å; E937-M941 WeakPolarHBondContact O-CB 3.29Å; E937-M941 VanDerWaalsContact O-CG 3.24Å; E937-M941 WeakPolarHBondContact O-CG 3.42Å; E937-M941 PolarHBondContact O-N 3.37Å; A938-M941 PolarHBondContact O-N 3.41Å; V939-M941 VanDerWaalsContact C-N 3.29Å; V939-M941 PolarHBondContact O-N 3.17Å; M941-I946 HydrophobicContact CB-CG1 4.38Å; M941-I946 HydrophobicContact CE-CD1 4.14Å; M941-I946 HydrophobicContact CG-CD1 3.74Å; M941-I946 HydrophobicContact CG-CG1 3.65Å; M941-I948 HydrophobicContact CB-CG1 4.09Å; M941-I948 HydrophobicContact CG-CG1 4.06Å; M941-I948 HydrophobicContact SD-CG1 4.26Å; M941-I948 HydrophobicContact SD-CG2 4.47Å
942	L	96	Very high	86.7	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.016	32%	0.318	C	S	.	.	H	α-helix	trans	-72.1	-37.8	178.4	-72.4	165.5	0	0	0	112.4	Q772 V776 A779 F859 R916 M917 V920 A938 V939 G944	Q772-L942 PolarHBondContact NE2-O 3.23Å; V776-L942 HydrophobicContact CG2-CB 4.11Å; A779-L942 HydrophobicContact CB-CD1 4Å; F859-L942 HydrophobicContact CE1-CD1 4.26Å; F859-L942 HydrophobicContact CZ-CD1 3.77Å; R916-L942 WeakPolarHBondContact CD-O 3.41Å; M917-L942 HydrophobicContact CB-CD2 4.19Å; M917-L942 HydrophobicContact CG-CD2 4.16Å; V920-L942 HydrophobicContact CB-CD2 4.08Å; V920-L942 HydrophobicContact CB-CG 4.45Å; V920-L942 HydrophobicContact CG1-CD2 4.2Å; V920-L942 HydrophobicContact CG1-CG 4.17Å; V920-L942 HydrophobicContact CG2-CD2 4.04Å; V920-L942 HydrophobicContact CG2-CG 4.18Å; A938-L942 VanDerWaalsContact O-CG 3.29Å; A938-L942 WeakPolarHBondContact O-CG 3.23Å; A938-L942 PolarHBondContact O-N 2.96Å; V939-L942 PolarHBondContact O-N 3.35Å; V939-L942 VanDerWaalsContact O-N 3.08Å; L942-G944 VanDerWaalsContact C-N 3.3Å
943	E	94.7	Very high	84.3	Confident	72 Å²	72	63.2 Å²	63.2	34%	0.336	33%	0.33	S	S	.	.	H	α-helix	trans	-77.7	-15.2	-179.9	-69.5	176.7	156.4	0	0	113.4	V776 R780 V939 E945	V776-E943 HydrophobicContact CG1-CG 4.38Å; R780-E943 IonicContact CZ-OE1 3.65Å; R780-E943 IonicContact NE-OE1 2.67Å; R780-E943 PolarHBondContact NE-OE1 3.22Å; R780-E943 IonicContact NH2-OE1 3.99Å; R780-E943 PolarHBondContact NH2-OE1 3.41Å; V939-E943 HydrophobicContact CG1-CG 4.48Å; V939-E943 WeakPolarHBondContact O-CG 3.41Å; V939-E943 PolarHBondContact O-N 3.07Å; E943-E945 HydrophobicContact CB-CG 4.35Å
944	G	89.3	Confident	81.6	Confident	35 Å²	35	68.2 Å²	68.2	36%	0.361	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.7	5.2	176.6	0	0	0	0	0	115.5	R916 K940 L942	R916-G944 VanDerWaalsContact CZ-CA 3.48Å; K940-G944 PolarHBondContact O-N 3.23Å; K940-G944 VanDerWaalsContact O-N 3.1Å; L942-G944 VanDerWaalsContact C-N 3.3Å
945	E	91.3	Very high	79.1	Confident	132 Å²	132	71.2 Å²	71.2	62%	0.617	38%	0.377	S	S	*	.	S	Bend	trans	-73.7	-27.7	-177	-58.3	-169.6	171	0	0	113.2	K940 E943	K940-E945 HydrophobicContact CB-CB 4.19Å; K940-E945 PolarHBondContact O-N 3.08Å; E943-E945 HydrophobicContact CB-CG 4.35Å
946	I	90.7	Very high	76.1	Confident	60 Å²	60	74 Å²	74	31%	0.308	41%	0.406	S	S	.	.	S	Bend	trans	-128.5	152.8	177.4	65.5	177.1	0	0	0	112.1	R916 E937 K940 M941	R916-I946 PolarHBondContact NH1-O 3.4Å; R916-I946 VanDerWaalsContact NH1-O 3.11Å; E937-I946 HydrophobicContact CB-CD1 4.41Å; K940-I946 HydrophobicContact CB-CD1 3.88Å; K940-I946 HydrophobicContact CB-CG1 3.82Å; K940-I946 HydrophobicContact CB-CG2 4.35Å; M941-I946 HydrophobicContact CB-CG1 4.38Å; M941-I946 HydrophobicContact CE-CD1 4.14Å; M941-I946 HydrophobicContact CG-CD1 3.74Å; M941-I946 HydrophobicContact CG-CG1 3.65Å
947	E	85	Confident	73.3	Confident	180 Å²	180	76.1 Å²	76.1	84%	0.841	42%	0.415	S	S	*	.			trans	-76.4	146.6	173.7	-70.9	-167.1	161.8	0	0	111.5
948	I	86.5	Confident	70.4	Confident	32 Å²	32	77.3 Å²	77.3	16%	0.164	42%	0.416	C	S	.	.			trans	-94.3	111.1	177.9	-53.3	171.8	0	0	0	108	R916 K919 V920 V923 M941 Q950	R916-I948 HydrophobicContact CB-CD1 4.5Å; R916-I948 HydrophobicContact CG-CD1 3.88Å; K919-I948 HydrophobicContact CB-CD1 3.74Å; K919-I948 HydrophobicContact CB-CG2 4.17Å; V920-I948 HydrophobicContact CG2-CD1 3.65Å; V920-I948 HydrophobicContact CG2-CG1 4.36Å; V923-I948 HydrophobicContact CG2-CG2 3.72Å; M941-I948 HydrophobicContact CB-CG1 4.09Å; M941-I948 HydrophobicContact CG-CG1 4.06Å; M941-I948 HydrophobicContact SD-CG1 4.26Å; M941-I948 HydrophobicContact SD-CG2 4.47Å; I948-Q950 PolarHBondContact O-N 3.19Å
949	T	72.1	Confident	67.3	Low	118 Å²	118	79.2 Å²	79.2	72%	0.724	44%	0.435	S	S	*	.			trans	-58.4	124.8	173.1	-43.7	0	0	0	0	110	V951	T949-V951 PolarHBondContact O-N 3.36Å
950	Q	59.4	Low	64.2	Low	156 Å²	156	86.4 Å²	86.4	73%	0.729	47%	0.468	S	S	*	.			trans	-62.9	120.1	178	-94.9	-178.8	-18.2	0	0	110.8	I948 M952	I948-Q950 PolarHBondContact O-N 3.19Å; Q950-M952 PolarHBondContact O-N 2.77Å
951	V	56.2	Low	61.3	Low	47 Å²	47	87.9 Å²	87.9	29%	0.285	48%	0.48	S	S	.	.			trans	-74.6	106.4	167	175.5	0	0	0	0	107.7	V923 T949 S953	V923-V951 HydrophobicContact CB-CG2 4.26Å; V923-V951 HydrophobicContact CG1-CG2 4.06Å; V923-V951 HydrophobicContact CG2-CG2 3.79Å; T949-V951 PolarHBondContact O-N 3.36Å; V951-S953 PolarHBondContact O-N 2.62Å
952	M	45.1	Very low	58.3	Low	176 Å²	176	96.2 Å²	96.2	87%	0.867	51%	0.511	S	S	*	.			trans	-65.7	118.9	165	-73.5	179.2	52.9	0	0	108.5	Q950 D954	Q950-M952 PolarHBondContact O-N 2.77Å; M952-D954 PolarHBondContact O-N 2.86Å
953	S	45.3	Very low	55.5	Low	41 Å²	41	98 Å²	98	29%	0.287	52%	0.524	S	S	.	.			trans	-68.4	113.3	171.7	-47.5	0	0	0	0	108.9	V951 P955	V951-S953 PolarHBondContact O-N 2.62Å; S953-P955 VanDerWaalsContact O-CD 3.31Å; S953-P955 WeakPolarHBondContact O-CD 3.29Å
954	D	37.2	Very low	52.8	Low	109 Å²	109	97.5 Å²	97.5	58%	0.583	52%	0.523	S	S	*	.			trans	-74.1	115.2	159.6	-171.5	-14.9	0	0	0	107.5	M952 G956	M952-D954 PolarHBondContact O-N 2.86Å; D954-G956 PolarHBondContact O-N 2.98Å; D954-G956 VanDerWaalsContact O-N 3.14Å; D954-G956 PolarHBondContact OD1-N 3.47Å
955	P	41.4	Very low	50.4	Low	107 Å²	107	97.6 Å²	97.6	70%	0.695	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-14.5	178.7	-16.1	30.2	0	0	0	112.8	S953 I957	S953-P955 VanDerWaalsContact O-CD 3.31Å; S953-P955 WeakPolarHBondContact O-CD 3.29Å; P955-I957 VanDerWaalsContact C-N 3.33Å; P955-I957 PolarHBondContact O-N 3.35Å
956	G	34.4	Very low	47.4	Very low	59 Å²	59	96.8 Å²	96.8	61%	0.608	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-19.8	-172.6	0	0	0	0	0	116.1	D954	D954-G956 PolarHBondContact O-N 2.98Å; D954-G956 VanDerWaalsContact O-N 3.14Å; D954-G956 PolarHBondContact OD1-N 3.47Å
957	I	34.9	Very low	44.8	Very low	69 Å²	69	99.9 Å²	99.9	35%	0.354	53%	0.529	S	S	.	.	S	Bend	trans	-100.8	-22.4	-172.2	-60.9	177.9	0	0	0	113	P955 G959 W962	P955-I957 VanDerWaalsContact C-N 3.33Å; P955-I957 PolarHBondContact O-N 3.35Å; I957-G959 PolarHBondContact O-N 3.15Å; I957-W962 HydrophobicContact CG2-CB 4.36Å; I957-W962 HydrophobicContact CG2-CD2 4.34Å; I957-W962 HydrophobicContact CG2-CE3 3.68Å; I957-W962 HydrophobicContact CG2-CZ3 4.35Å
958	Y	34.9	Very low	42.4	Very low	113 Å²	113	95.1 Å²	95.1	44%	0.443	50%	0.503	S	S	.	.	S	Bend	trans	-84.9	1.3	170.8	-71.1	-82.9	0	0	0	113	L889	L889-Y958 HydrophobicContact CD1-CE1 4.38Å; L889-Y958 HydrophobicContact CD1-CE2 4.07Å
959	G	30.5	Very low	39.8	Very low	39 Å²	39	97.9 Å²	97.9	40%	0.402	52%	0.519	S	S	.	.	S	Bend	trans	-53.2	138.7	160.6	0	0	0	0	0	110	I957 D961 W962	I957-G959 PolarHBondContact O-N 3.15Å; G959-D961 PolarHBondContact O-N 3.45Å; G959-W962 PolarHBondContact O-N 2.9Å
960	H	32.6	Very low	37.8	Very low	158 Å²	158	97.7 Å²	97.7	73%	0.731	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.7	0.7	-168.1	-93.1	-74	0	0	0	120
961	D	34.6	Very low	36.5	Very low	122 Å²	122	96 Å²	96	65%	0.652	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-22	-176.8	-72.6	-30.9	0	0	0	115.4	G959 K966	G959-D961 PolarHBondContact O-N 3.45Å; D961-K966 IonicContact OD1-NZ 2.71Å; D961-K966 PolarHBondContact OD1-NZ 3.22Å
962	W	32.8	Very low	35.3	Very low	192 Å²	192	98.7 Å²	98.7	73%	0.727	52%	0.524	S	S	*	.	S	Bend	trans	-111.2	6.4	179.5	-76.5	28.3	0	0	0	114.1	I957 G959	I957-W962 HydrophobicContact CG2-CB 4.36Å; I957-W962 HydrophobicContact CG2-CD2 4.34Å; I957-W962 HydrophobicContact CG2-CE3 3.68Å; I957-W962 HydrophobicContact CG2-CZ3 4.35Å; G959-W962 PolarHBondContact O-N 2.9Å
963	S	37.5	Very low	34.4	Very low	40 Å²	40	99.1 Å²	99.1	28%	0.28	52%	0.524	S	S	.	.	S	Bend	trans	-76.9	130.2	175.2	171.5	0	0	0	0	111.3	S965 K966	S963-S965 VanDerWaalsContact CB-OG 3.26Å; S963-S965 WeakPolarHBondContact CB-OG 3.4Å; S963-S965 PolarHBondContact O-N 2.85Å; S963-S965 PolarHBondContact O-OG 3.34Å; S963-S965 VanDerWaalsContact OG-CB 3.24Å; S963-S965 WeakPolarHBondContact OG-CB 3.27Å; S963-S965 PolarHBondContact OG-N 2.92Å; S963-S965 VanDerWaalsContact OG-N 3.16Å; S963-S965 PolarHBondContact OG-OG 2.98Å; S963-K966 PolarHBondContact O-N 2.84Å
964	I	38.2	Very low	33.5	Very low	62 Å²	62	101.4 Å²	101.4	32%	0.318	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-13.1	167.4	-77.8	172.8	0	0	0	112.7	K966 L967 R968	I964-K966 VanDerWaalsContact C-N 3.29Å; I964-K966 PolarHBondContact O-N 2.77Å; I964-L967 PolarHBondContact O-N 3.26Å; I964-R968 HydrophobicContact CG2-CG 4.23Å; I964-R968 PolarHBondContact O-N 3.48Å
965	S	37.5	Very low	33	Very low	38 Å²	38	101.5 Å²	101.5	27%	0.266	55%	0.549	S	S	.	.	H	α-helix	trans	-49.3	-44	171.3	57.1	0	0	0	0	113.4	S963 L967 R968 D969	S963-S965 VanDerWaalsContact CB-OG 3.26Å; S963-S965 WeakPolarHBondContact CB-OG 3.4Å; S963-S965 PolarHBondContact O-N 2.85Å; S963-S965 PolarHBondContact O-OG 3.34Å; S963-S965 VanDerWaalsContact OG-CB 3.24Å; S963-S965 WeakPolarHBondContact OG-CB 3.27Å; S963-S965 PolarHBondContact OG-N 2.92Å; S963-S965 VanDerWaalsContact OG-N 3.16Å; S963-S965 PolarHBondContact OG-OG 2.98Å; S965-L967 VanDerWaalsContact C-N 3.29Å; S965-L967 PolarHBondContact O-N 2.71Å; S965-R968 WeakPolarHBondContact O-CA 3.22Å; S965-R968 WeakPolarHBondContact O-CB 3.49Å; S965-R968 PolarHBondContact O-N 2.7Å; S965-D969 PolarHBondContact O-N 3.2Å; S965-D969 VanDerWaalsContact O-N 3.15Å
966	K	28.8	Very low	32.1	Very low	115 Å²	115	102.3 Å²	102.3	50%	0.5	56%	0.558	S	S	.	*	H	α-helix	trans	-67.2	-25	179	-81.4	-178.3	180	169.8	0	113.7	D961 S963 I964 R968 I970	D961-K966 IonicContact OD1-NZ 2.71Å; D961-K966 PolarHBondContact OD1-NZ 3.22Å; S963-K966 PolarHBondContact O-N 2.84Å; I964-K966 VanDerWaalsContact C-N 3.29Å; I964-K966 PolarHBondContact O-N 2.77Å; K966-R968 VanDerWaalsContact C-N 3.35Å; K966-I970 WeakPolarHBondContact O-CG1 3.21Å
967	L	35.9	Very low	31.5	Very low	125 Å²	125	104.4 Å²	104.4	65%	0.654	56%	0.563	S	S	*	*	H	α-helix	trans	-79	-22.1	172.7	-146.5	86.6	0	0	0	112	I964 S965 I970	I964-L967 PolarHBondContact O-N 3.26Å; S965-L967 VanDerWaalsContact C-N 3.29Å; S965-L967 PolarHBondContact O-N 2.71Å; L967-I970 HydrophobicContact CD1-CD1 4.48Å
968	R	35.3	Very low	31	Very low	80 Å²	80	107.3 Å²	107.3	30%	0.302	58%	0.584	S	S	.	*	H	α-helix	trans	-82.5	-24.1	177.7	-71.5	178.8	171.1	-179.2	-4.9	113.2	I964 S965 K966	I964-R968 HydrophobicContact CG2-CG 4.23Å; I964-R968 PolarHBondContact O-N 3.48Å; S965-R968 WeakPolarHBondContact O-CA 3.22Å; S965-R968 WeakPolarHBondContact O-CB 3.49Å; S965-R968 PolarHBondContact O-N 2.7Å; K966-R968 VanDerWaalsContact C-N 3.35Å
969	D	30.4	Very low	30.5	Very low	90 Å²	90	107.8 Å²	107.8	48%	0.481	60%	0.604	S	S	.	*	H	α-helix	trans	-87.3	-14.1	-179.5	-67.6	-21.5	0	0	0	113.6	S965 D971 T972	S965-D969 PolarHBondContact O-N 3.2Å; S965-D969 VanDerWaalsContact O-N 3.15Å; D969-D971 PolarHBondContact O-N 2.76Å; D969-T972 PolarHBondContact O-N 3.44Å; D969-T972 VanDerWaalsContact O-N 3.1Å; D969-T972 PolarHBondContact O-OG1 3.46Å
970	I	31.3	Very low	30.1	Very low	114 Å²	114	109.4 Å²	109.4	59%	0.585	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-62.8	-23.8	178.9	-70.2	168.2	0	0	0	112.3	K966 L967 T972	K966-I970 WeakPolarHBondContact O-CG1 3.21Å; L967-I970 HydrophobicContact CD1-CD1 4.48Å; I970-T972 VanDerWaalsContact C-N 3.3Å; I970-T972 PolarHBondContact O-N 3Å
971	D	32.3	Very low	29.8	Very low	121 Å²	121	108.8 Å²	108.8	65%	0.647	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-79.6	-3.6	177.3	-80.8	-17.3	0	0	0	114.4	D969	D969-D971 PolarHBondContact O-N 2.76Å
972	T	31.1	Very low	29.2	Very low	103 Å²	103	108.9 Å²	108.9	63%	0.632	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-94.4	-5.7	-178.9	51.3	0	0	0	0	115.8	D969 I970	D969-T972 PolarHBondContact O-N 3.44Å; D969-T972 VanDerWaalsContact O-N 3.1Å; D969-T972 PolarHBondContact O-OG1 3.46Å; I970-T972 VanDerWaalsContact C-N 3.3Å; I970-T972 PolarHBondContact O-N 3Å
973	H	26.3	Very low	28.9	Very low	184 Å²	184	107.1 Å²	107.1	85%	0.852	64%	0.638	S	S	*	*	S	Bend	trans	-111.4	16.9	-177.9	-81.4	-52.5	0	0	0	116.5
974	S	25.2	Very low	28.2	Very low	89 Å²	89	115 Å²	115	62%	0.622	67%	0.67	S	S	*	*	S	Bend	trans	-136.9	61.1	176.8	57.8	0	0	0	0	113.8
975	S	26.9	Very low	27.6	Very low	112 Å²	112	118 Å²	118	78%	0.783	69%	0.691	S	S	*	*			trans	-175.5	65.2	153.7	33	0	0	0	0	113	S977	S975-S977 PolarHBondContact O-N 3.11Å
976	S	22.8	Very low	27.1	Very low	124 Å²	124	122.6 Å²	122.6	87%	0.867	72%	0.718	S	S	*	*			trans	-91	76.9	159.5	57.1	0	0	0	0	109.9
977	S	22.7	Very low	26.9	Very low	103 Å²	103	123.3 Å²	123.3	72%	0.72	73%	0.732	S	S	*	*	S	Bend	trans	-179.5	121.1	155	45.5	0	0	0	0	112.9	S975	S975-S977 PolarHBondContact O-N 3.11Å
978	T	24.7	Very low	26.4	Very low	130 Å²	130	121.8 Å²	121.8	80%	0.798	73%	0.728	S	S	*	*			trans	78.8	95.5	157.4	19.6	0	0	0	0	120.8
979	S	22.7	Very low	25.9	Very low	123 Å²	123	126.6 Å²	126.6	86%	0.86	76%	0.756	S	S	*	*				41.7	115.6	119.7	-42.5	0	0	0	0	120.8
980	G	23.8	Very low	25.5	Very low	73 Å²	73	132.1 Å²	132.1	75%	0.753	78%	0.776	S	S	*	*			trans	127.7	108.3	140.2	0	0	0	0	0	117.7
981	V	24.6	Very low	25.3	Very low	144 Å²	144	128.7 Å²	128.7	87%	0.873	76%	0.762	S	S	*	*			trans	83.6	119.2	154.9	-165.5	0	0	0	0	118.4
982	T	21.8	Very low	24.9	Very low	125 Å²	125	126.6 Å²	126.6	77%	0.767	76%	0.757	S	S	*	*			trans	-55.9	129	172.1	37.7	0	0	0	0	114.6
983	D	27.4	Very low	24.8	Very low	155 Å²	155	122.7 Å²	122.7	83%	0.829	73%	0.733	S	S	*	*			trans	-161.4	125.7	136	-97.7	-23.2	0	0	0	109.7	T985	D983-T985 PolarHBondContact O-N 3.09Å
984	Q	23.1	Very low	24.9	Very low	205 Å²	205	114.5 Å²	114.5	96%	0.958	70%	0.696	S	S	*	*			trans	-71.7	102.5	-177.3	-69.4	174.5	-10.5	0	0	110
985	T	25.3	Very low	25.3	Very low	126 Å²	126	113.3 Å²	113.3	77%	0.773	70%	0.698	S	S	*	*			trans	-125	116	166.8	35.8	0	0	0	0	110.3	D983 T987	D983-T985 PolarHBondContact O-N 3.09Å; T985-T987 PolarHBondContact O-N 2.99Å
986	T	27.1	Very low	25.5	Very low	134 Å²	134	112.3 Å²	112.3	82%	0.822	69%	0.69	S	S	*	*			trans	-52.3	127.5	169.6	28.1	0	0	0	0	110.9	T988	T986-T988 PolarHBondContact O-N 3.48Å
987	T	24	Very low	26.1	Very low	130 Å²	130	108.9 Å²	108.9	80%	0.798	66%	0.662	S	S	*	*			trans	-70.5	91	-178.5	25	0	0	0	0	111.9	T985	T985-T987 PolarHBondContact O-N 2.99Å
988	T	25.9	Very low	26.4	Very low	92 Å²	92	108 Å²	108	56%	0.564	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-81.4	121.8	164.2	-24.8	0	0	0	0	109	T986 K990	T986-T988 PolarHBondContact O-N 3.48Å; T988-K990 PolarHBondContact O-N 2.98Å
989	M	25	Very low	26.7	Very low	182 Å²	182	108.9 Å²	108.9	90%	0.897	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-61	118.8	174.3	-87.8	-153.5	172.1	0	0	110.6	S991	M989-S991 PolarHBondContact O-N 3.03Å
990	K	22	Very low	26.9	Very low	205 Å²	205	107 Å²	107	89%	0.891	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-63.9	121.5	178.7	-69	178	177.8	175.2	0	110.9	T988	T988-K990 PolarHBondContact O-N 2.98Å
991	S	27.7	Very low	27.1	Very low	43 Å²	43	108.2 Å²	108.2	30%	0.301	61%	0.612	S	S	.	*			trans	-109.8	121	179.3	49.9	0	0	0	0	113.2	Q709 M989	Q709-S991 PolarHBondContact OE1-OG 2.94Å; M989-S991 PolarHBondContact O-N 3.03Å
992	S	22.5	Very low	27.2	Very low	76 Å²	76	109.1 Å²	109.1	53%	0.531	60%	0.601	S	S	.	*			trans	-111.8	111.4	171.9	52.5	0	0	0	0	110.5
993	V	28.7	Very low	27.7	Very low	21 Å²	21	108 Å²	108	13%	0.127	60%	0.596	C	S	.	*			trans	-152.5	146.9	174.5	-171	0	0	0	0	112.8	N501	N501-V993 HydrophobicContact CB-CG1 4.38Å; N501-V993 WeakPolarHBondContact ND2-CG1 3.38Å
994	S	28.1	Very low	27.9	Very low	13 Å²	13	108.8 Å²	108.8	9%	0.091	59%	0.594	C	S	.	*			trans	-60.5	165.3	176.5	59.9	0	0	0	0	119.7	S598 C996	S598-S994 VanDerWaalsContact C-CB 3.42Å; S598-S994 VanDerWaalsContact CB-CB 3.44Å; S598-S994 WeakPolarHBondContact CB-OG 3.48Å; S598-S994 VanDerWaalsContact O-CB 3.27Å; S598-S994 WeakPolarHBondContact O-CB 3.32Å; S598-S994 WeakPolarHBondContact OG-CB 3.44Å; S598-S994 PolarHBondContact OG-OG 3.07Å; S994-C996 PolarHBondContact O-N 3.48Å
995	G	33.4	Very low	28.2	Very low	63 Å²	63	103.4 Å²	103.4	65%	0.649	58%	0.58	S	S	*	*	S	Bend	trans	-84.2	19.6	178.7	0	0	0	0	0	119.6	D997	G995-D997 PolarHBondContact O-N 3.47Å
996	C	32.5	Very low	28.4	Very low	91 Å²	91	102.3 Å²	102.3	62%	0.615	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	4.4	171.8	-68.4	0	0	0	0	114.4	S994	S994-C996 PolarHBondContact O-N 3.48Å
997	D	35.5	Very low	28.3	Very low	52 Å²	52	102 Å²	102	28%	0.278	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.2	10.7	178.9	-67.4	-18.5	0	0	0	112.8	R712 G995	R712-D997 IonicContact CZ-OD2 3.02Å; R712-D997 IonicContact NH1-OD2 3.49Å; R712-D997 PolarHBondContact NH1-OD2 3.41Å; R712-D997 IonicContact NH2-OD2 3.92Å; R712-D997 PolarHBondContact NH2-OD2 3.16Å; G995-D997 PolarHBondContact O-N 3.47Å
998	L	29.4	Very low	28.6	Very low	86 Å²	86	103.3 Å²	103.3	45%	0.45	56%	0.56	S	S	.	*	S	Bend	trans	-93.5	106	171.6	-63.9	177.5	0	0	0	108.4	V715	V715-L998 HydrophobicContact CB-CD1 4.45Å; V715-L998 HydrophobicContact CB-CD2 3.8Å; V715-L998 HydrophobicContact CG1-CD1 3.88Å; V715-L998 HydrophobicContact CG1-CD2 3.19Å; V715-L998 HydrophobicContact CG1-CG 4.16Å; V715-L998 HydrophobicContact CG2-CD1 4.44Å
999	Y	29.9	Very low	28.6	Very low	147 Å²	147	105.6 Å²	105.6	58%	0.576	57%	0.569	S	S	*	*			trans	-59.1	130	171.8	-83.2	-94.9	0	0	0	109.4	E823 L1001	E823-Y999 VanDerWaalsContact OE1-CE1 3.27Å; E823-Y999 WeakPolarHBondContact OE1-CE1 3.42Å; Y999-L1001 PolarHBondContact O-N 3.12Å
1000	P	27.8	Very low	28.7	Very low	83 Å²	83	102.3 Å²	102.3	54%	0.539	56%	0.564	S	S	.	*			trans	-65.8	116.5	170.6	22.7	-26.5	0	0	0	109.1	Y1002	P1000-Y1002 HydrophobicContact CB-CE2 4.37Å; P1000-Y1002 HydrophobicContact CG-CE2 3.88Å; P1000-Y1002 VanDerWaalsContact O-CD2 3.3Å; P1000-Y1002 WeakPolarHBondContact O-CD2 3.36Å; P1000-Y1002 PolarHBondContact O-N 3.41Å; P1000-Y1002 VanDerWaalsContact O-N 3.09Å
1001	L	26.6	Very low	29	Very low	100 Å²	100	98.1 Å²	98.1	52%	0.524	56%	0.556	S	S	.	*			trans	-65.6	104.6	167.3	-74	164.9	0	0	0	107.8	L656 Y999 P1003	L656-L1001 HydrophobicContact CD1-CD1 4.21Å; Y999-L1001 PolarHBondContact O-N 3.12Å; L1001-P1003 WeakPolarHBondContact O-CD 3.49Å
1002	Y	26.9	Very low	29.1	Very low	162 Å²	162	102.1 Å²	102.1	64%	0.635	58%	0.578	S	S	*	*			trans	-75.3	120.5	175.1	-73.4	-83.7	0	0	0	109.6	P1000 E1004 S1005	P1000-Y1002 HydrophobicContact CB-CE2 4.37Å; P1000-Y1002 HydrophobicContact CG-CE2 3.88Å; P1000-Y1002 VanDerWaalsContact O-CD2 3.3Å; P1000-Y1002 WeakPolarHBondContact O-CD2 3.36Å; P1000-Y1002 PolarHBondContact O-N 3.41Å; P1000-Y1002 VanDerWaalsContact O-N 3.09Å; Y1002-E1004 PolarHBondContact O-N 3.48Å; Y1002-S1005 PolarHBondContact O-N 3.36Å; Y1002-S1005 VanDerWaalsContact O-N 3.12Å; Y1002-S1005 PolarHBondContact O-OG 3.5Å
1003	P	32.8	Very low	29.5	Very low	102 Å²	102	107 Å²	107	66%	0.662	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-57.1	-25.4	-178.2	-24.5	32.9	0	0	0	114.2	L1001 S1005 M1006	L1001-P1003 WeakPolarHBondContact O-CD 3.49Å; P1003-S1005 PolarHBondContact O-N 3.15Å; P1003-M1006 PolarHBondContact O-N 3.46Å; P1003-M1006 VanDerWaalsContact O-N 3.14Å
1004	E	30.8	Very low	29.5	Very low	171 Å²	171	113.2 Å²	113.2	80%	0.799	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-72.2	-16.2	-177.5	-67.1	173.8	177.7	0	0	113.3	Y1002 M1006	Y1002-E1004 PolarHBondContact O-N 3.48Å; E1004-M1006 VanDerWaalsContact C-N 3.29Å
1005	S	30	Very low	29.6	Very low	93 Å²	93	118.1 Å²	118.1	65%	0.65	66%	0.66	S	S	*	*	G	3₁₀ helix	trans	-81.6	-4	171.7	61.3	0	0	0	0	113.9	Y1002 P1003	Y1002-S1005 PolarHBondContact O-N 3.36Å; Y1002-S1005 VanDerWaalsContact O-N 3.12Å; Y1002-S1005 PolarHBondContact O-OG 3.5Å; P1003-S1005 PolarHBondContact O-N 3.15Å
1006	M	29.3	Very low	29.5	Very low	102 Å²	102	120.4 Å²	120.4	50%	0.502	67%	0.665	S	S	.	*	G	3₁₀ helix	trans	-98.5	4.7	178.1	-72.7	-166	167.3	0	0	114.6	P1003 E1004 L1008	P1003-M1006 PolarHBondContact O-N 3.46Å; P1003-M1006 VanDerWaalsContact O-N 3.14Å; E1004-M1006 VanDerWaalsContact C-N 3.29Å; M1006-L1008 VanDerWaalsContact C-N 3.26Å; M1006-L1008 PolarHBondContact O-N 3.3Å; M1006-L1008 VanDerWaalsContact O-N 3.09Å
1007	I	25.8	Very low	29.3	Very low	128 Å²	128	121 Å²	121	66%	0.656	67%	0.671	S	S	*	*			trans	-88.3	69.7	173.3	-47.5	179.8	0	0	0	109.2
1008	L	29.2	Very low	28.9	Very low	158 Å²	158	123.6 Å²	123.6	83%	0.827	69%	0.693	S	S	*	*			trans	-90.1	101.8	156.1	-92.3	157.9	0	0	0	106.8	M1006 S1010	M1006-L1008 VanDerWaalsContact C-N 3.26Å; M1006-L1008 PolarHBondContact O-N 3.3Å; M1006-L1008 VanDerWaalsContact O-N 3.09Å; L1008-S1010 PolarHBondContact O-N 3.45Å
1009	N	26.7	Very low	29	Very low	139 Å²	139	131.6 Å²	131.6	74%	0.743	74%	0.735	S	S	*	*			trans	-48.7	101.2	173.7	-78.8	-24.7	0	0	0	110.9
1010	S	27.5	Very low	29	Very low	114 Å²	114	130.8 Å²	130.8	80%	0.797	74%	0.743	S	S	*	*			trans	-111	57.2	159.6	71.8	0	0	0	0	109.5	L1008	L1008-S1010 PolarHBondContact O-N 3.45Å
1011	T	28.4	Very low	29	Very low	117 Å²	117	133.3 Å²	133.3	72%	0.718	75%	0.753	S	S	*	*			trans	-116.9	73.2	157.3	47.5	0	0	0	0	107.4	E1013	T1011-E1013 VanDerWaalsContact C-N 3.26Å; T1011-E1013 PolarHBondContact O-N 3.47Å
1012	V	30.2	Very low	29.2	Very low	127 Å²	127	135.2 Å²	135.2	77%	0.77	77%	0.766	S	S	*	*			trans	-73.3	97.3	149.2	177.2	0	0	0	0	104	N1014	V1012-N1014 PolarHBondContact O-N 3.41Å
1013	E	30	Very low	29.3	Very low	178 Å²	178	133.6 Å²	133.6	83%	0.832	77%	0.774	S	S	*	*			trans	-56.4	111.8	166.4	-77.6	-177.3	152.6	0	0	107.4	T1011 S1015	T1011-E1013 VanDerWaalsContact C-N 3.26Å; T1011-E1013 PolarHBondContact O-N 3.47Å; E1013-S1015 VanDerWaalsContact C-N 3.35Å; E1013-S1015 PolarHBondContact O-N 3.39Å
1014	N	29.4	Very low	29.1	Very low	151 Å²	151	135.6 Å²	135.6	81%	0.807	78%	0.781	S	S	*	*			trans	-61.2	102.4	164.3	-82.2	-24.5	0	0	0	107.3	V1012 S1016	V1012-N1014 PolarHBondContact O-N 3.41Å; N1014-S1016 VanDerWaalsContact C-N 3.28Å; N1014-S1016 PolarHBondContact O-N 3.37Å
1015	S	29.6	Very low	29	Very low	117 Å²	117	133.2 Å²	133.2	82%	0.818	78%	0.779	S	S	*	*			trans	-62.5	94.4	159.6	56	0	0	0	0	107.8	E1013 S1017	E1013-S1015 VanDerWaalsContact C-N 3.35Å; E1013-S1015 PolarHBondContact O-N 3.39Å; S1015-S1017 PolarHBondContact O-N 3.42Å
1016	S	32.2	Very low	28.9	Very low	110 Å²	110	136.1 Å²	136.1	77%	0.769	79%	0.789	S	S	*	*			trans	-65.7	126.2	164.5	51.9	0	0	0	0	108.8	N1014	N1014-S1016 VanDerWaalsContact C-N 3.28Å; N1014-S1016 PolarHBondContact O-N 3.37Å
1017	S	28.4	Very low	28.9	Very low	104 Å²	104	138.7 Å²	138.7	73%	0.727	81%	0.811	S	S	*	*			trans	-52.2	140.3	172.5	49.4	0	0	0	0	113.1	S1015	S1015-S1017 PolarHBondContact O-N 3.42Å
1018	S	26.6	Very low	29.1	Very low	107 Å²	107	139.6 Å²	139.6	75%	0.748	82%	0.824	S	S	*	*			trans	-2.3	134.2	154.5	55.8	0	0	0	0	119.4
1019	L	31.5	Very low	29.1	Very low	253 Å²	253	137.9 Å²	137.9	100%	1.325	82%	0.823	S	S	*	*			trans	93.8	0	171.4	-67.6	162.8	0	0	0	115.9

Retrieved 1,019 of 1,019 residues in 3999.8 ms (Link to these results)

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